[c076b43] | 1 | #ala 10 9
|
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| 2 | n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0
|
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| 3 | h 1. 120.000 0. .176 4 1 0 0 0
|
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| 4 | ca 1.460 121.700 1*omg 180. .064 7 1 4 5 9
|
---|
| 5 | ha 1.080 109.000 -61.698 .02 1 3 0 0 0
|
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| 6 | cb 1.53 110.000 56.472 -.09 7 3 6 7 8
|
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| 7 | hb1 1.0 109.47 4*x1 180. .04 1 5 0 0 0
|
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| 8 | hb2 1.0 109.47 -60. .04 1 5 0 0 0
|
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| 9 | hb3 1.0 109.47 60. .04 1 5 0 0 0
|
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| 10 | c 1.520 111.000 2*phi 180. .45 8 3 -10 0 0
|
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| 11 | o 1.230 121.700 180. -.384 11 -9 0 0 0
|
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| 12 | #arg 24 23
|
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| 13 | n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0
|
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| 14 | h 1. 120.000 0. .176 4 1 0 0 0
|
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| 15 | ca 1.460 121.700 1*omg 180. .064 7 1 4 5 23
|
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| 16 | ha 1.080 109.000 -60.35 .02 1 3 0 0 0
|
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| 17 | cb 1.53 110.000 58.763 -.03 7 3 6 7 8
|
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| 18 | hb1 1.0 108.1 -58.624 .015 1 5 0 0 0
|
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| 19 | hb2 1.0 108.1 58.624 .015 1 5 0 0 0
|
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| 20 | cg 1.52 113.7 4*x1 180. -.03 7 5 9 10 11
|
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| 21 | hg1 1.0 108.8 -58.624 .03 1 8 0 0 0
|
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| 22 | hg2 1.0 108.8 58.624 .03 1 8 0 0 0
|
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| 23 | cd 1.52 111.5 4*x2 180. .12 7 8 12 13 14
|
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| 24 | hd1 1.0 108.8 -58.778 .01 1 11 0 0 0
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| 25 | hd2 1.0 108.8 58.778 .01 1 11 0 0 0
|
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| 26 | ne 1.46 111.5 4*x3 180. -.3 13 11 15 16 0
|
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| 27 | he 1. 115.6 0. .23 4 14 0 0 0
|
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| 28 | cz 1.33 124.4 8*x4 180. .58 9 14 -17 -20 0
|
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| 29 | nh1 1.33 120. 17*x5 0. -.39 13 -16 18 19 0
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| 30 | hh11 1. 120. 18*x61 180. .28 4 17 0 0 0
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| 31 | hh12 1. 120. 0. .28 4 17 0 0 0
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| 32 | nh2 1.33 120. 180. -.39 13 -16 21 22 0
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| 33 | hh21 1. 120. 18*x62 180. .28 4 20 0 0 0
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| 34 | hh22 1. 120. 0. .28 4 20 0 0 0
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| 35 | c 1.520 111.000 2*phi 180. .45 8 3 -24 0 0
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| 36 | o 1.230 121.700 180. -.384 11 -23 0 0 0
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| 37 | #asn 14 13
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| 38 | n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0
|
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| 39 | h 1. 120.000 0. .176 4 1 0 0 0
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| 40 | ca 1.460 121.700 1*omg 180. .064 7 1 4 5 13
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| 41 | ha 1.080 109.000 -58.981 .02 1 3 0 0 0
|
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| 42 | cb 1.53 110.000 60.978 -.12 7 3 6 7 8
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| 43 | hb1 1.0 108.4 -58.624 .055 1 5 0 0 0
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| 44 | hb2 1.0 108.4 58.624 .055 1 5 0 0 0
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| 45 | cg 1.52 112.6 4*x1 180. .46 8 5 -9 10 0
|
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| 46 | od1 1.23 120.9 11*x2 180. -.375 11 -8 0 0 0
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| 47 | nd2 1.33 117. 0. -.445 14 8 11 12 0
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| 48 | hd21 1. 120. 19*x3 0. .2 4 10 0 0 0
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| 49 | hd22 1. 120. 180. .2 4 10 0 0 0
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| 50 | c 1.520 111.000 2*phi 180. .45 8 3 -14 0 0
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| 51 | o 1.230 121.700 180. -.384 11 -13 0 0 0
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| 52 | #asp 12 11
|
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| 53 | n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0
|
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| 54 | h 1. 120.000 0. .176 4 1 0 0 0
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| 55 | ca 1.460 121.700 1*omg 180. -.06 7 1 4 5 11
|
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| 56 | ha 1.080 109.000 -58.978 .024 1 3 0 0 0
|
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| 57 | cb 1.53 110.000 60.917 -.17 7 3 6 7 8
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| 58 | hb1 1.0 108.2 -58.622 -.02 1 5 0 0 0
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| 59 | hb2 1.0 108.2 58.624 -.02 1 5 0 0 0
|
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| 60 | cg 1.52 113.2 4*x1 180. .5 8 5 -9 -10 0
|
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| 61 | od1 1.25 118.6 10*x2 180. -.57 12 -8 0 0 0
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| 62 | od2 1.25 118.6 0. -.57 12 -8 0 0 0
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| 63 | c 1.520 111.000 2*phi 180. .45 8 3 -12 0 0
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| 64 | o 1.230 121.700 180. -.384 11 -11 0 0 0
|
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| 65 | #cys 11 10
|
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| 66 | n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0
|
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| 67 | h 1. 120.000 0. .176 4 1 0 0 0
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| 68 | ca 1.460 121.700 1*omg 180. .064 7 1 4 5 10
|
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| 69 | ha 1.080 109.000 -60.68 .02 1 3 0 0 0
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| 70 | cb 1.53 110.000 56.329 -.105 7 3 6 7 8
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| 71 | hb1 1.0 108.1 -58.778 .055 1 5 0 0 0
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| 72 | hb2 1.0 108.1 58.778 .055 1 5 0 0 0
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| 73 | sg 1.81 113.4 4*x1 180. .015 16 5 9 0 0
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| 74 | hg 1.0 108.0 14*x2 180. .01 6 8 0 0 0
|
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| 75 | c 1.520 111.000 2*phi 180. .45 8 3 -11 0 0
|
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| 76 | o 1.230 121.700 180. -.384 11 -10 0 0 0
|
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| 77 | #gln 17 16
|
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| 78 | n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0
|
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| 79 | h 1. 120.000 0. .176 4 1 0 0 0
|
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| 80 | ca 1.460 121.700 1*omg 180. .064 7 1 4 5 16
|
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| 81 | ha 1.080 109.000 -61.482 .02 1 3 0 0 0
|
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| 82 | cb 1.53 110.000 56.545 -.03 7 3 6 7 8
|
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| 83 | hb1 1.0 108.1 -58.624 .02 1 5 0 0 0
|
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| 84 | hb2 1.0 108.1 58.624 .02 1 5 0 0 0
|
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| 85 | cg 1.52 113.7 4*x1 180. -.11 7 5 9 10 11
|
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| 86 | hg1 1.0 108.4 -58.624 .05 1 8 0 0 0
|
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| 87 | hg2 1.0 108.4 58.624 .05 1 8 0 0 0
|
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| 88 | cd 1.52 112.6 4*x2 180. .47 8 8 -12 13 0
|
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| 89 | oe1 1.23 121.0 11*x3 180. -.38 11 -11 0 0 0
|
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| 90 | ne2 1.33 116.9 0. -.43 14 11 14 15 0
|
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| 91 | he21 1. 120. 19*x4 0. .185 4 13 0 0 0
|
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| 92 | he22 1. 120. 180. .185 4 13 0 0 0
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| 93 | c 1.520 111.000 2*phi 180. .45 8 3 -17 0 0
|
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| 94 | o 1.230 121.700 180. -.384 11 -16 0 0 0
|
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| 95 | #glu 15 14
|
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| 96 | n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0
|
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| 97 | h 1. 120.000 0. .176 4 1 0 0 0
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| 98 | ca 1.460 121.700 1*omg 180. .064 7 1 4 5 14
|
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| 99 | ha 1.080 109.000 -61.482 .02 1 3 0 0 0
|
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| 100 | cb 1.53 110.000 56.545 -.12 7 3 6 7 8
|
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| 101 | hb1 1.0 108.1 -58.624 .02 1 5 0 0 0
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| 102 | hb2 1.0 108.1 58.624 .02 1 5 0 0 0
|
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| 103 | cg 1.52 114.1 4*x1 180. -.17 7 5 9 10 11
|
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| 104 | hg1 1.0 108.2 -58.624 -.04 1 8 0 0 0
|
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| 105 | hg2 1.0 108.2 58.624 -.04 1 8 0 0 0
|
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| 106 | cd 1.52 113.2 4*x2 180. .5 8 8 -12 -13 0
|
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| 107 | oe1 1.25 118.5 10*x3 180. -.57 12 -11 0 0 0
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| 108 | oe2 1.25 118.5 0. -.57 12 -11 0 0 0
|
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| 109 | c 1.520 111.000 2*phi 180. .45 8 3 -15 0 0
|
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| 110 | o 1.230 121.700 180. -.384 11 -14 0 0 0
|
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| 111 | #gly 7 6
|
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| 112 | n 1.330 116.600 3*psi 180. -.344 13 0 2 3 0
|
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| 113 | h 1. 120.000 0. .176 4 1 0 0 0
|
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| 114 | ca 1.460 121.700 1*omg 180. -.008 7 1 4 5 6
|
---|
| 115 | ha1 1.08 109.000 -58.624 .055 1 3 0 0 0
|
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| 116 | ha2 1.08 109.000 58.624 .055 1 3 0 0 0
|
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| 117 | c 1.520 111.000 2*phi 180. .45 8 3 -7 0 0
|
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| 118 | o 1.230 121.700 180. -.384 11 -6 0 0 0
|
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| 119 | #his 17 16
|
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| 120 | n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0
|
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| 121 | h 1. 120.000 0. .176 4 1 0 0 0
|
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| 122 | ca 1.460 121.700 1*omg 180. .064 7 1 4 5 16
|
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| 123 | ha 1.080 109.000 -62.135 .02 1 3 0 0 0
|
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| 124 | cb 1.53 110.000 54.88 -.04 7 3 6 7 8
|
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| 125 | hb1 1.0 108.2 -58.177 .015 1 5 0 0 0
|
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| 126 | hb2 1.0 108.2 58.177 .015 1 5 0 0 0
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| 127 | cg 1.52 113.2 4*x1 180. .055 9 5 9 -14 0
|
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| 128 | nd1 1.35 126.0 12*x2 180. -.25 13 8 10 11 0
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| 129 | hd1 1. 126.0 0. .15 4 9 0 0 0
|
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| 130 | ce1 1.35 108. 180. .19 9 9 12 -13 0
|
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| 131 | he1 1.0 126. 180. .02 2 11 0 0 0
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| 132 | ne2 1.35 108. 0. -.24 15 -11 14 0 0
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| 133 | cd2 1.35 108. 0. .08 9 13 -8 15 0
|
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| 134 | hd2 1.0 126. 180. .035 2 14 0 0 0
|
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| 135 | c 1.520 111.000 2*phi 180. .45 8 3 -17 0 0
|
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| 136 | o 1.230 121.700 180. -.384 11 -16 0 0 0
|
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| 137 | #ile 19 18
|
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| 138 | n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0
|
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| 139 | h 1. 120.000 0. .176 4 1 0 0 0
|
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| 140 | ca 1.460 121.700 1*omg 180. .064 7 1 4 5 18
|
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| 141 | ha 1.080 109.000 -62.498 .02 1 3 0 0 0
|
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| 142 | cb 1.53 110.000 54.154 -.005 7 3 6 7 11
|
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| 143 | hb 1.0 109.2 -62.625 .025 1 5 0 0 0
|
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| 144 | cg2 1.53 110.4 54.749 -.075 7 5 8 9 10
|
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| 145 | hg21 1.0 109.47 4*x22 -60. .025 1 7 0 0 0
|
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| 146 | hg22 1.0 109.47 60. .025 1 7 0 0 0
|
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| 147 | hg23 1.0 109.47 180. .025 1 7 0 0 0
|
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| 148 | cg1 1.53 110.4 4*x1 180. -.02 7 5 12 13 14
|
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| 149 | hg11 1.0 108.1 -58.624 .015 1 11 0 0 0
|
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| 150 | hg12 1.0 108.1 58.624 .015 1 11 0 0 0
|
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| 151 | cd1 1.53 113.6 4*x21 180. -.075 7 11 15 16 17
|
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| 152 | hd11 1.0 109.47 4*x31 -60. .025 1 14 0 0 0
|
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| 153 | hd12 1.0 109.47 60. .025 1 14 0 0 0
|
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| 154 | hd13 1.0 109.47 180. .025 1 14 0 0 0
|
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| 155 | c 1.520 111.000 2*phi 180. .45 8 3 -19 0 0
|
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| 156 | o 1.230 121.700 180. -.384 11 -18 0 0 0
|
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| 157 | #leu 19 18
|
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| 158 | n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0
|
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| 159 | h 1. 120.000 0. .176 4 1 0 0 0
|
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| 160 | ca 1.460 121.700 1*omg 180. .064 7 1 4 5 18
|
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| 161 | ha 1.080 109.000 -62.498 .02 1 3 0 0 0
|
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| 162 | cb 1.53 110.000 54.154 -.03 7 3 6 7 8
|
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| 163 | hb1 1.0 107. -57.891 .022 1 5 0 0 0
|
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| 164 | hb2 1.0 107. 57.891 .022 1 5 0 0 0
|
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| 165 | cg 1.53 117.1 4*x1 180. -.011 7 5 9 10 14
|
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| 166 | hg 1.0 109.3 62.625 .025 1 8 0 0 0
|
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| 167 | cd1 1.52 110.1 4*x2 180. -.074 7 8 11 12 13
|
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| 168 | hd11 1.0 109.47 4*x31 -60. .025 1 10 0 0 0
|
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| 169 | hd12 1.0 109.47 60. .025 1 10 0 0 0
|
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| 170 | hd13 1.0 109.47 180. .025 1 10 0 0 0
|
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| 171 | cd2 1.52 110.1 -54.749 -.074 7 8 15 16 17
|
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| 172 | hd21 1.0 109.47 4*x32 -60. .025 1 14 0 0 0
|
---|
| 173 | hd22 1.0 109.47 60. .025 1 14 0 0 0
|
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| 174 | hd23 1.0 109.47 180. .025 1 14 0 0 0
|
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| 175 | c 1.520 111.000 2*phi 180. .45 8 3 -19 0 0
|
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| 176 | o 1.230 121.700 180. -.384 11 -18 0 0 0
|
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| 177 | #lys 22 21
|
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| 178 | n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0
|
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| 179 | h 1. 120.000 0. .176 4 1 0 0 0
|
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| 180 | ca 1.460 121.700 1*omg 180. .064 7 1 4 5 21
|
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| 181 | ha 1.080 109.000 -62.498 .02 1 3 0 0 0
|
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| 182 | cb 1.53 110.000 54.154 -.03 7 3 6 7 8
|
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| 183 | hb1 1.0 108.1 -58.624 .015 1 5 0 0 0
|
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| 184 | hb2 1.0 108.1 58.624 .015 1 5 0 0 0
|
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| 185 | cg 1.52 113.8 4*x1 180. -.025 7 5 9 10 11
|
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| 186 | hg1 1.0 108.8 -58.624 .02 1 8 0 0 0
|
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| 187 | hg2 1.0 108.8 58.624 .02 1 8 0 0 0
|
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| 188 | cd 1.52 111.6 4*x2 180. -.115 7 8 12 13 14
|
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| 189 | hd1 1.0 108.8 -58.624 .1 1 11 0 0 0
|
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| 190 | hd2 1.0 108.8 58.624 .1 1 11 0 0 0
|
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| 191 | ce 1.52 111.6 4*x3 180. .05 7 11 15 16 17
|
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| 192 | he1 1.0 108.8 -58.701 .12 1 14 0 0 0
|
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| 193 | he2 1.0 108.8 58.701 .12 1 14 0 0 0
|
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| 194 | nz 1.49 111.6 4*x4 180. -.32 13 14 18 19 20
|
---|
| 195 | hz1 1.0 109.47 7*x5 180. .32 3 17 0 0 0
|
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| 196 | hz2 1.0 109.47 -60. .32 3 17 0 0 0
|
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| 197 | hz3 1.0 109.47 60. .32 3 17 0 0 0
|
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| 198 | c 1.520 111.000 2*phi 180. .45 8 3 -22 0 0
|
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| 199 | o 1.230 121.700 180. -.384 11 -21 0 0 0
|
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| 200 | #met 17 16
|
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| 201 | n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0
|
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| 202 | h 1. 120.000 0. .176 4 1 0 0 0
|
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| 203 | ca 1.460 121.700 1*omg 180. .064 7 1 4 5 16
|
---|
| 204 | ha 1.080 109.000 -60.996 .02 1 3 0 0 0
|
---|
| 205 | cb 1.53 110.000 58.986 -.01 7 3 6 7 8
|
---|
| 206 | hb1 1.0 108.1 -58.624 .03 1 5 0 0 0
|
---|
| 207 | hb2 1.0 108.1 58.624 .03 1 5 0 0 0
|
---|
| 208 | cg 1.52 113.5 4*x1 180. -.12 7 5 9 10 11
|
---|
| 209 | hg1 1.0 108.7 -58.778 .045 1 8 0 0 0
|
---|
| 210 | hg2 1.0 108.7 58.778 .045 1 8 0 0 0
|
---|
| 211 | sd 1.810 111.9 4*x2 180. .035 16 8 12 0 0
|
---|
| 212 | ce 1.79 100.5 13*x3 180. -.19 7 11 13 14 15
|
---|
| 213 | he1 1.0 109.47 13*x4 -60. .055 1 12 0 0 0
|
---|
| 214 | he2 1.0 109.47 60. .055 1 12 0 0 0
|
---|
| 215 | he3 1.0 109.47 180. .055 1 12 0 0 0
|
---|
| 216 | c 1.520 111.000 2*phi 180. .45 8 3 -17 0 0
|
---|
| 217 | o 1.230 121.700 180. -.384 11 -16 0 0 0
|
---|
| 218 | #phe 20 19
|
---|
| 219 | n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0
|
---|
| 220 | h 1. 120.000 0. .176 4 1 0 0 0
|
---|
| 221 | ca 1.460 121.700 1*omg 180. .064 7 1 4 5 19
|
---|
| 222 | ha 1.080 109.000 -60.574 .02 1 3 0 0 0
|
---|
| 223 | cb 1.53 110.000 61.182 -.04 7 3 6 7 8
|
---|
| 224 | hb1 1.0 108.1 -58.177 .025 1 5 0 0 0
|
---|
| 225 | hb2 1.0 108.1 58.177 .025 1 5 0 0 0
|
---|
| 226 | cg 1.52 113.7 4*x1 180. .02 9 5 -9 17 0
|
---|
| 227 | cd1 1.39 120. 12*x2 180. -.015 9 -8 10 11 0
|
---|
| 228 | hd1 1.0 120. 0. .01 2 9 0 0 0
|
---|
| 229 | ce1 1.39 120. 180. -.015 9 9 12 -13 0
|
---|
| 230 | he1 1.0 120. 180. .01 2 11 0 0 0
|
---|
| 231 | cz 1.39 120. 0. .015 9 -11 14 15 0
|
---|
| 232 | hz 1.0 120. 180. .005 2 13 0 0 0
|
---|
| 233 | ce2 1.39 120. 0. -.015 9 13 16 -17 0
|
---|
| 234 | he2 1.0 120. 180. .01 2 15 0 0 0
|
---|
| 235 | cd2 1.39 120. 0. -.015 9 -15 18 8 0
|
---|
| 236 | hd2 1.0 120. 180. .01 2 17 0 0 0
|
---|
| 237 | c 1.520 111.000 2*phi 180. .45 8 3 -20 0 0
|
---|
| 238 | o 1.230 121.700 180. -.384 11 -19 0 0 0
|
---|
| 239 | #pro 14 13
|
---|
| 240 | n 1.330 116.600 3*psi 180. -.297 13 0 2 10 0
|
---|
| 241 | ca 1.460 121.700 1*omg 180. .057 7 1 3 4 13
|
---|
| 242 | ha 1.080 109.000 53.7 .021 1 2 0 0 0
|
---|
| 243 | cb 1.53 110.000 174.1 -.026 7 2 5 6 7
|
---|
| 244 | hb1 1.0 111.6 120. .023 1 4 0 0 0
|
---|
| 245 | hb2 1.0 111.6 -120. .023 1 4 0 0 0
|
---|
| 246 | cg 1.51 103.3 0.0 -.034 7 4 8 9 10
|
---|
| 247 | hg1 1.0 109. 120. .025 1 7 0 0 0
|
---|
| 248 | hg2 1.0 109. -120. .025 1 7 0 0 0
|
---|
| 249 | cd 1.51 110.8 0.0 .095 18 7 11 12 1
|
---|
| 250 | hd1 1.0 110.7 120. .005 17 10 0 0 0
|
---|
| 251 | hd2 1.0 110.7 -120. .005 17 10 0 0 0
|
---|
| 252 | c 1.520 111.000 -65.0 .456 8 2 -14 0 0
|
---|
| 253 | o 1.230 121.700 180. -.38 11 -13 0 0 0
|
---|
| 254 | #ser 11 10
|
---|
| 255 | n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0
|
---|
| 256 | h 1. 120.000 0. .176 4 1 0 0 0
|
---|
| 257 | ca 1.460 121.700 1*omg 180. .064 7 1 4 5 10
|
---|
| 258 | ha 1.080 109.000 -60.837 .02 1 3 0 0 0
|
---|
| 259 | cb 1.53 110.000 57.576 .13 7 3 6 7 8
|
---|
| 260 | hb1 1.0 109.1 -58.473 .02 1 5 0 0 0
|
---|
| 261 | hb2 1.0 109.1 58.473 .02 1 5 0 0 0
|
---|
| 262 | og 1.42 110.6 4*x1 180. -.31 10 5 9 0 0
|
---|
| 263 | hg 1. 108. 5*x2 180. .17 5 8 0 0 0
|
---|
| 264 | c 1.520 111.000 2*phi 180. .45 8 3 -11 0 0
|
---|
| 265 | o 1.230 121.700 180. -.384 11 -10 0 0 0
|
---|
| 266 | #thr 14 13
|
---|
| 267 | n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0
|
---|
| 268 | h 1. 120.000 0. .176 4 1 0 0 0
|
---|
| 269 | ca 1.460 121.700 1*omg 180. .064 7 1 4 5 13
|
---|
| 270 | ha 1.080 109.000 -63.043 .02 1 3 0 0 0
|
---|
| 271 | cb 1.53 110.000 55.503 .16 7 3 6 7 9
|
---|
| 272 | hb 1.0 109.3 -56.998 .015 1 5 0 0 0
|
---|
| 273 | og1 1.43 108.6 4*x1 180. -.31 10 5 8 0 0
|
---|
| 274 | hg1 1. 108. 5*x21 180. .17 5 7 0 0 0
|
---|
| 275 | cg2 1.52 111.5 67.919 -.095 7 5 10 11 12
|
---|
| 276 | hg21 1.0 109.47 4*x22 60. .03 1 9 0 0 0
|
---|
| 277 | hg22 1.0 109.47 -60. .03 1 9 0 0 0
|
---|
| 278 | hg23 1.0 109.47 180. .03 1 9 0 0 0
|
---|
| 279 | c 1.520 111.000 2*phi 180. .45 8 3 -14 0 0
|
---|
| 280 | o 1.230 121.700 180. -.384 11 -13 0 0 0
|
---|
| 281 | #trp 24 23
|
---|
| 282 | n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0
|
---|
| 283 | h 1. 120.000 0. .176 4 1 0 0 0
|
---|
| 284 | ca 1.460 121.700 1*omg 180. .064 7 1 4 5 23
|
---|
| 285 | ha 1.080 109.000 -61.187 .02 1 3 0 0 0
|
---|
| 286 | cb 1.53 110.000 55.612 -.03 7 3 6 7 8
|
---|
| 287 | hb1 1.0 108.1 -58.177 .015 1 5 0 0 0
|
---|
| 288 | hb2 1.0 108.1 58.177 .015 1 5 0 0 0
|
---|
| 289 | cg 1.5 113.8 4*x1 180. -.025 9 5 -9 22 0
|
---|
| 290 | cd1 1.39 126. 12*x2 180. .085 9 -8 10 11 0
|
---|
| 291 | hd1 1.0 126. 0. .0 2 9 0 0 0
|
---|
| 292 | ne1 1.39 108. 180. -.28 13 9 12 13 0
|
---|
| 293 | he1 1. 126. 180. .13 4 11 0 0 0
|
---|
| 294 | ce2 1.39 108. 0. .15 9 11 14 -22 0
|
---|
| 295 | cz2 1.39 132.0 180. -.06 9 13 15 -16 0
|
---|
| 296 | hz2 1.0 120. 0. .03 2 14 0 0 0
|
---|
| 297 | ch2 1.39 120. 180. -.005 9 -14 17 18 0
|
---|
| 298 | hh2 1.0 120. 180. .01 2 16 0 0 0
|
---|
| 299 | cz3 1.39 120. 0. -.02 9 16 19 -20 0
|
---|
| 300 | hz3 1.0 120. 180. .01 2 18 0 0 0
|
---|
| 301 | ce3 1.39 120. 0. -.08 9 -18 21 22 0
|
---|
| 302 | he3 1.0 120. 180. .08 2 20 0 0 0
|
---|
| 303 | cd2 1.39 120. 0. .005 9 20 8 -13 0
|
---|
| 304 | c 1.520 111.000 2*phi 180. .45 8 3 -24 0 0
|
---|
| 305 | o 1.230 121.700 180. -.384 11 -23 0 0 0
|
---|
| 306 | #tyr 21 20
|
---|
| 307 | n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0
|
---|
| 308 | h 1. 120.000 0. .176 4 1 0 0 0
|
---|
| 309 | ca 1.460 121.700 1*omg 180. .064 7 1 4 5 20
|
---|
| 310 | ha 1.080 109.000 -60.509 .02 1 3 0 0 0
|
---|
| 311 | cb 1.53 110.000 61.78 -.04 7 3 6 7 8
|
---|
| 312 | hb1 1.0 108.1 -58.177 .025 1 5 0 0 0
|
---|
| 313 | hb2 1.0 108.1 58.177 .025 1 5 0 0 0
|
---|
| 314 | cg 1.51 113.6 4*x1 180. .02 9 5 -9 18 0
|
---|
| 315 | cd1 1.39 120. 12*x2 180. -.01 9 -8 10 11 0
|
---|
| 316 | hd1 1.0 120. 0. .01 2 9 0 0 0
|
---|
| 317 | ce1 1.39 120. 180. -.06 9 9 12 -13 0
|
---|
| 318 | he1 1.0 120. 180. .03 2 11 0 0 0
|
---|
| 319 | cz 1.39 120. 0. .225 9 -11 14 16 0
|
---|
| 320 | oh 1.38 120.0 180. -.33 10 13 15 0 0
|
---|
| 321 | hh 1. 108. 15*x6 180. .165 5 14 0 0 0
|
---|
| 322 | ce2 1.39 120. 0. -.06 9 13 17 -18 0
|
---|
| 323 | he2 1.0 120. 180. .03 2 16 0 0 0
|
---|
| 324 | cd2 1.39 120. 0. -.01 9 -16 19 8 0
|
---|
| 325 | hd2 1.0 120. 180. .01 2 18 0 0 0
|
---|
| 326 | c 1.520 111.000 2*phi 180. .45 8 3 -21 0 0
|
---|
| 327 | o 1.230 121.700 180. -.384 11 -20 0 0 0
|
---|
| 328 | #val 16 15
|
---|
| 329 | n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0
|
---|
| 330 | h 1. 120.000 0. .176 4 1 0 0 0
|
---|
| 331 | ca 1.460 121.700 1*omg 180. .064 7 1 4 5 15
|
---|
| 332 | ha 1.080 109.000 -62.068 .02 1 3 0 0 0
|
---|
| 333 | cb 1.53 110.000 55.387 .008 7 3 6 7 11
|
---|
| 334 | hb 1.0 109.1 61.977 .016 1 5 0 0 0
|
---|
| 335 | cg1 1.52 110.7 4*x1 180. -.072 7 5 8 9 10
|
---|
| 336 | hg11 1.0 109.47 4*x21 -60. .025 1 7 0 0 0
|
---|
| 337 | hg12 1.0 109.47 60. .025 1 7 0 0 0
|
---|
| 338 | hg13 1.0 109.47 180. .025 1 7 0 0 0
|
---|
| 339 | cg2 1.52 110.7 -56.046 -.072 7 5 12 13 14
|
---|
| 340 | hg21 1.0 109.47 4*x22 -60. .025 1 11 0 0 0
|
---|
| 341 | hg22 1.0 109.47 60. .025 1 11 0 0 0
|
---|
| 342 | hg23 1.0 109.47 180. .025 1 11 0 0 0
|
---|
| 343 | c 1.520 111.000 2*phi 180. .45 8 3 -16 0 0
|
---|
| 344 | o 1.230 121.700 180. -.384 11 -15 0 0 0
|
---|
| 345 | #ace 6 5
|
---|
| 346 | ch3 1.46 121.7 180. -.129 7 2 3 4 5
|
---|
| 347 | h1 1.0 109.471 0. .020 1 1 0 0 0
|
---|
| 348 | h2 1.0 109.471 -60.001 .020 1 1 0 0 0
|
---|
| 349 | h3 1.0 109.471 60.001 .020 1 1 0 0 0
|
---|
| 350 | c 1.520 111.000 180. .455 8 1 -6 0 0
|
---|
| 351 | o 1.230 121.700 180. -.386 11 -5 0 0 0
|
---|
| 352 | #nme 6 3
|
---|
| 353 | n 1.330 116.600 3*psi 180. -.345 13 0 2 3 0
|
---|
| 354 | h 1. 120.000 0. .163 4 1 0 0 0
|
---|
| 355 | c 1.520 111.000 1*omg 180. .05 7 1 4 5 6
|
---|
| 356 | h1 1.0 109.47 2*pht 180. .044 1 3 0 0 0
|
---|
| 357 | h2 1.0 109.47 -60. .044 1 3 0 0 0
|
---|
| 358 | h3 1.0 109.47 60. .044 1 3 0 0 0
|
---|
[ba939c7] | 359 | #nh2 4 1
|
---|
| 360 | n 1.330 116.600 3*psi 180. -.242 13 0 2 3 4
|
---|
| 361 | h1 1. 109.47 7*phi 180. .354 3 1 0 0 0
|
---|
| 362 | h2 1. 109.47 60. .354 3 1 0 0 0
|
---|
| 363 | h3 1. 109.47 -60. .354 3 1 0 0 0
|
---|
[c076b43] | 364 | #nh3+ 4 1
|
---|
| 365 | n 1.330 116.600 3*psi 180. -.242 13 0 2 3 4
|
---|
| 366 | h1 1. 109.47 7*phi 180. .354 3 1 0 0 0
|
---|
| 367 | h2 1. 109.47 60. .354 3 1 0 0 0
|
---|
| 368 | h3 1. 109.47 -60. .354 3 1 0 0 0
|
---|
[ba939c7] | 369 | #nh2g 4 1
|
---|
| 370 | n 1.330 116.600 3*psi 180. -.242 13 0 2 3 4
|
---|
| 371 | h1 1. 109.47 7*phi 180. .354 3 1 0 0 0
|
---|
| 372 | h2 1. 109.47 60. .354 3 1 0 0 0
|
---|
| 373 | h3 1. 109.47 -60. .354 3 1 0 0 0
|
---|
[c076b43] | 374 | #nh3g 4 1
|
---|
| 375 | n 1.330 116.600 3*psi 180. -.242 13 0 2 3 4
|
---|
| 376 | h1 1. 109.47 7*phi 180. .354 3 1 0 0 0
|
---|
| 377 | h2 1. 109.47 60. .354 3 1 0 0 0
|
---|
| 378 | h3 1. 109.47 -60. .354 3 1 0 0 0
|
---|
[ba939c7] | 379 | #cooh 3 1
|
---|
| 380 | c 1.520 111.000 2*phi 180. .395 8 0 -2 -3 0
|
---|
| 381 | o 1.230 121.700 0. -.664 12 -1 0 0 0
|
---|
| 382 | oxt 1.230 121.700 10*pst 180. -.664 12 -1 0 0 0
|
---|
[c076b43] | 383 | #coo- 3 1
|
---|
| 384 | c 1.520 111.000 2*phi 180. .395 8 0 -2 -3 0
|
---|
| 385 | o 1.230 121.700 0. -.664 12 -1 0 0 0
|
---|
| 386 | oxt 1.230 121.700 10*pst 180. -.664 12 -1 0 0 0
|
---|
| 387 | #goo- 3 1 # only for gly
|
---|
| 388 | c 1.520 111.000 2*phi 180. .396 8 0 -2 -3 0
|
---|
| 389 | o 1.230 121.700 0. -.665 12 -1 0 0 0
|
---|
| 390 | oxt 1.230 121.700 10*pst 180. -.665 12 -1 0 0 0
|
---|