#ala 10 9 n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0 h 1. 120.000 0. .176 4 1 0 0 0 ca 1.460 121.700 1*omg 180. .064 7 1 4 5 9 ha 1.080 109.000 -61.698 .02 1 3 0 0 0 cb 1.53 110.000 56.472 -.09 7 3 6 7 8 hb1 1.0 109.47 4*x1 180. .04 1 5 0 0 0 hb2 1.0 109.47 -60. .04 1 5 0 0 0 hb3 1.0 109.47 60. .04 1 5 0 0 0 c 1.520 111.000 2*phi 180. .45 8 3 -10 0 0 o 1.230 121.700 180. -.384 11 -9 0 0 0 #arg 24 23 n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0 h 1. 120.000 0. .176 4 1 0 0 0 ca 1.460 121.700 1*omg 180. .064 7 1 4 5 23 ha 1.080 109.000 -60.35 .02 1 3 0 0 0 cb 1.53 110.000 58.763 -.03 7 3 6 7 8 hb1 1.0 108.1 -58.624 .015 1 5 0 0 0 hb2 1.0 108.1 58.624 .015 1 5 0 0 0 cg 1.52 113.7 4*x1 180. -.03 7 5 9 10 11 hg1 1.0 108.8 -58.624 .03 1 8 0 0 0 hg2 1.0 108.8 58.624 .03 1 8 0 0 0 cd 1.52 111.5 4*x2 180. .12 7 8 12 13 14 hd1 1.0 108.8 -58.778 .01 1 11 0 0 0 hd2 1.0 108.8 58.778 .01 1 11 0 0 0 ne 1.46 111.5 4*x3 180. -.3 13 11 15 16 0 he 1. 115.6 0. .23 4 14 0 0 0 cz 1.33 124.4 8*x4 180. .58 9 14 -17 -20 0 nh1 1.33 120. 17*x5 0. -.39 13 -16 18 19 0 hh11 1. 120. 18*x61 180. .28 4 17 0 0 0 hh12 1. 120. 0. .28 4 17 0 0 0 nh2 1.33 120. 180. -.39 13 -16 21 22 0 hh21 1. 120. 18*x62 180. .28 4 20 0 0 0 hh22 1. 120. 0. .28 4 20 0 0 0 c 1.520 111.000 2*phi 180. .45 8 3 -24 0 0 o 1.230 121.700 180. -.384 11 -23 0 0 0 #asn 14 13 n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0 h 1. 120.000 0. .176 4 1 0 0 0 ca 1.460 121.700 1*omg 180. .064 7 1 4 5 13 ha 1.080 109.000 -58.981 .02 1 3 0 0 0 cb 1.53 110.000 60.978 -.12 7 3 6 7 8 hb1 1.0 108.4 -58.624 .055 1 5 0 0 0 hb2 1.0 108.4 58.624 .055 1 5 0 0 0 cg 1.52 112.6 4*x1 180. .46 8 5 -9 10 0 od1 1.23 120.9 11*x2 180. -.375 11 -8 0 0 0 nd2 1.33 117. 0. -.445 14 8 11 12 0 hd21 1. 120. 19*x3 0. .2 4 10 0 0 0 hd22 1. 120. 180. .2 4 10 0 0 0 c 1.520 111.000 2*phi 180. .45 8 3 -14 0 0 o 1.230 121.700 180. -.384 11 -13 0 0 0 #asp 12 11 n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0 h 1. 120.000 0. .176 4 1 0 0 0 ca 1.460 121.700 1*omg 180. -.06 7 1 4 5 11 ha 1.080 109.000 -58.978 .024 1 3 0 0 0 cb 1.53 110.000 60.917 -.17 7 3 6 7 8 hb1 1.0 108.2 -58.622 -.02 1 5 0 0 0 hb2 1.0 108.2 58.624 -.02 1 5 0 0 0 cg 1.52 113.2 4*x1 180. .5 8 5 -9 -10 0 od1 1.25 118.6 10*x2 180. -.57 12 -8 0 0 0 od2 1.25 118.6 0. -.57 12 -8 0 0 0 c 1.520 111.000 2*phi 180. .45 8 3 -12 0 0 o 1.230 121.700 180. -.384 11 -11 0 0 0 #cys 11 10 n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0 h 1. 120.000 0. .176 4 1 0 0 0 ca 1.460 121.700 1*omg 180. .064 7 1 4 5 10 ha 1.080 109.000 -60.68 .02 1 3 0 0 0 cb 1.53 110.000 56.329 -.105 7 3 6 7 8 hb1 1.0 108.1 -58.778 .055 1 5 0 0 0 hb2 1.0 108.1 58.778 .055 1 5 0 0 0 sg 1.81 113.4 4*x1 180. .015 16 5 9 0 0 hg 1.0 108.0 14*x2 180. .01 6 8 0 0 0 c 1.520 111.000 2*phi 180. .45 8 3 -11 0 0 o 1.230 121.700 180. -.384 11 -10 0 0 0 #gln 17 16 n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0 h 1. 120.000 0. .176 4 1 0 0 0 ca 1.460 121.700 1*omg 180. .064 7 1 4 5 16 ha 1.080 109.000 -61.482 .02 1 3 0 0 0 cb 1.53 110.000 56.545 -.03 7 3 6 7 8 hb1 1.0 108.1 -58.624 .02 1 5 0 0 0 hb2 1.0 108.1 58.624 .02 1 5 0 0 0 cg 1.52 113.7 4*x1 180. -.11 7 5 9 10 11 hg1 1.0 108.4 -58.624 .05 1 8 0 0 0 hg2 1.0 108.4 58.624 .05 1 8 0 0 0 cd 1.52 112.6 4*x2 180. .47 8 8 -12 13 0 oe1 1.23 121.0 11*x3 180. -.38 11 -11 0 0 0 ne2 1.33 116.9 0. -.43 14 11 14 15 0 he21 1. 120. 19*x4 0. .185 4 13 0 0 0 he22 1. 120. 180. .185 4 13 0 0 0 c 1.520 111.000 2*phi 180. .45 8 3 -17 0 0 o 1.230 121.700 180. -.384 11 -16 0 0 0 #glu 15 14 n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0 h 1. 120.000 0. .176 4 1 0 0 0 ca 1.460 121.700 1*omg 180. .064 7 1 4 5 14 ha 1.080 109.000 -61.482 .02 1 3 0 0 0 cb 1.53 110.000 56.545 -.12 7 3 6 7 8 hb1 1.0 108.1 -58.624 .02 1 5 0 0 0 hb2 1.0 108.1 58.624 .02 1 5 0 0 0 cg 1.52 114.1 4*x1 180. -.17 7 5 9 10 11 hg1 1.0 108.2 -58.624 -.04 1 8 0 0 0 hg2 1.0 108.2 58.624 -.04 1 8 0 0 0 cd 1.52 113.2 4*x2 180. .5 8 8 -12 -13 0 oe1 1.25 118.5 10*x3 180. -.57 12 -11 0 0 0 oe2 1.25 118.5 0. -.57 12 -11 0 0 0 c 1.520 111.000 2*phi 180. .45 8 3 -15 0 0 o 1.230 121.700 180. -.384 11 -14 0 0 0 #gly 7 6 n 1.330 116.600 3*psi 180. -.344 13 0 2 3 0 h 1. 120.000 0. .176 4 1 0 0 0 ca 1.460 121.700 1*omg 180. -.008 7 1 4 5 6 ha1 1.08 109.000 -58.624 .055 1 3 0 0 0 ha2 1.08 109.000 58.624 .055 1 3 0 0 0 c 1.520 111.000 2*phi 180. .45 8 3 -7 0 0 o 1.230 121.700 180. -.384 11 -6 0 0 0 #his 17 16 n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0 h 1. 120.000 0. .176 4 1 0 0 0 ca 1.460 121.700 1*omg 180. .064 7 1 4 5 16 ha 1.080 109.000 -62.135 .02 1 3 0 0 0 cb 1.53 110.000 54.88 -.04 7 3 6 7 8 hb1 1.0 108.2 -58.177 .015 1 5 0 0 0 hb2 1.0 108.2 58.177 .015 1 5 0 0 0 cg 1.52 113.2 4*x1 180. .055 9 5 9 -14 0 nd1 1.35 126.0 12*x2 180. -.25 13 8 10 11 0 hd1 1. 126.0 0. .15 4 9 0 0 0 ce1 1.35 108. 180. .19 9 9 12 -13 0 he1 1.0 126. 180. .02 2 11 0 0 0 ne2 1.35 108. 0. -.24 15 -11 14 0 0 cd2 1.35 108. 0. .08 9 13 -8 15 0 hd2 1.0 126. 180. .035 2 14 0 0 0 c 1.520 111.000 2*phi 180. .45 8 3 -17 0 0 o 1.230 121.700 180. -.384 11 -16 0 0 0 #ile 19 18 n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0 h 1. 120.000 0. .176 4 1 0 0 0 ca 1.460 121.700 1*omg 180. .064 7 1 4 5 18 ha 1.080 109.000 -62.498 .02 1 3 0 0 0 cb 1.53 110.000 54.154 -.005 7 3 6 7 11 hb 1.0 109.2 -62.625 .025 1 5 0 0 0 cg2 1.53 110.4 54.749 -.075 7 5 8 9 10 hg21 1.0 109.47 4*x22 -60. .025 1 7 0 0 0 hg22 1.0 109.47 60. .025 1 7 0 0 0 hg23 1.0 109.47 180. .025 1 7 0 0 0 cg1 1.53 110.4 4*x1 180. -.02 7 5 12 13 14 hg11 1.0 108.1 -58.624 .015 1 11 0 0 0 hg12 1.0 108.1 58.624 .015 1 11 0 0 0 cd1 1.53 113.6 4*x21 180. -.075 7 11 15 16 17 hd11 1.0 109.47 4*x31 -60. .025 1 14 0 0 0 hd12 1.0 109.47 60. .025 1 14 0 0 0 hd13 1.0 109.47 180. .025 1 14 0 0 0 c 1.520 111.000 2*phi 180. .45 8 3 -19 0 0 o 1.230 121.700 180. -.384 11 -18 0 0 0 #leu 19 18 n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0 h 1. 120.000 0. .176 4 1 0 0 0 ca 1.460 121.700 1*omg 180. .064 7 1 4 5 18 ha 1.080 109.000 -62.498 .02 1 3 0 0 0 cb 1.53 110.000 54.154 -.03 7 3 6 7 8 hb1 1.0 107. -57.891 .022 1 5 0 0 0 hb2 1.0 107. 57.891 .022 1 5 0 0 0 cg 1.53 117.1 4*x1 180. -.011 7 5 9 10 14 hg 1.0 109.3 62.625 .025 1 8 0 0 0 cd1 1.52 110.1 4*x2 180. -.074 7 8 11 12 13 hd11 1.0 109.47 4*x31 -60. .025 1 10 0 0 0 hd12 1.0 109.47 60. .025 1 10 0 0 0 hd13 1.0 109.47 180. .025 1 10 0 0 0 cd2 1.52 110.1 -54.749 -.074 7 8 15 16 17 hd21 1.0 109.47 4*x32 -60. .025 1 14 0 0 0 hd22 1.0 109.47 60. .025 1 14 0 0 0 hd23 1.0 109.47 180. .025 1 14 0 0 0 c 1.520 111.000 2*phi 180. .45 8 3 -19 0 0 o 1.230 121.700 180. -.384 11 -18 0 0 0 #lys 22 21 n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0 h 1. 120.000 0. .176 4 1 0 0 0 ca 1.460 121.700 1*omg 180. .064 7 1 4 5 21 ha 1.080 109.000 -62.498 .02 1 3 0 0 0 cb 1.53 110.000 54.154 -.03 7 3 6 7 8 hb1 1.0 108.1 -58.624 .015 1 5 0 0 0 hb2 1.0 108.1 58.624 .015 1 5 0 0 0 cg 1.52 113.8 4*x1 180. -.025 7 5 9 10 11 hg1 1.0 108.8 -58.624 .02 1 8 0 0 0 hg2 1.0 108.8 58.624 .02 1 8 0 0 0 cd 1.52 111.6 4*x2 180. -.115 7 8 12 13 14 hd1 1.0 108.8 -58.624 .1 1 11 0 0 0 hd2 1.0 108.8 58.624 .1 1 11 0 0 0 ce 1.52 111.6 4*x3 180. .05 7 11 15 16 17 he1 1.0 108.8 -58.701 .12 1 14 0 0 0 he2 1.0 108.8 58.701 .12 1 14 0 0 0 nz 1.49 111.6 4*x4 180. -.32 13 14 18 19 20 hz1 1.0 109.47 7*x5 180. .32 3 17 0 0 0 hz2 1.0 109.47 -60. .32 3 17 0 0 0 hz3 1.0 109.47 60. .32 3 17 0 0 0 c 1.520 111.000 2*phi 180. .45 8 3 -22 0 0 o 1.230 121.700 180. -.384 11 -21 0 0 0 #met 17 16 n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0 h 1. 120.000 0. .176 4 1 0 0 0 ca 1.460 121.700 1*omg 180. .064 7 1 4 5 16 ha 1.080 109.000 -60.996 .02 1 3 0 0 0 cb 1.53 110.000 58.986 -.01 7 3 6 7 8 hb1 1.0 108.1 -58.624 .03 1 5 0 0 0 hb2 1.0 108.1 58.624 .03 1 5 0 0 0 cg 1.52 113.5 4*x1 180. -.12 7 5 9 10 11 hg1 1.0 108.7 -58.778 .045 1 8 0 0 0 hg2 1.0 108.7 58.778 .045 1 8 0 0 0 sd 1.810 111.9 4*x2 180. .035 16 8 12 0 0 ce 1.79 100.5 13*x3 180. -.19 7 11 13 14 15 he1 1.0 109.47 13*x4 -60. .055 1 12 0 0 0 he2 1.0 109.47 60. .055 1 12 0 0 0 he3 1.0 109.47 180. .055 1 12 0 0 0 c 1.520 111.000 2*phi 180. .45 8 3 -17 0 0 o 1.230 121.700 180. -.384 11 -16 0 0 0 #phe 20 19 n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0 h 1. 120.000 0. .176 4 1 0 0 0 ca 1.460 121.700 1*omg 180. .064 7 1 4 5 19 ha 1.080 109.000 -60.574 .02 1 3 0 0 0 cb 1.53 110.000 61.182 -.04 7 3 6 7 8 hb1 1.0 108.1 -58.177 .025 1 5 0 0 0 hb2 1.0 108.1 58.177 .025 1 5 0 0 0 cg 1.52 113.7 4*x1 180. .02 9 5 -9 17 0 cd1 1.39 120. 12*x2 180. -.015 9 -8 10 11 0 hd1 1.0 120. 0. .01 2 9 0 0 0 ce1 1.39 120. 180. -.015 9 9 12 -13 0 he1 1.0 120. 180. .01 2 11 0 0 0 cz 1.39 120. 0. .015 9 -11 14 15 0 hz 1.0 120. 180. .005 2 13 0 0 0 ce2 1.39 120. 0. -.015 9 13 16 -17 0 he2 1.0 120. 180. .01 2 15 0 0 0 cd2 1.39 120. 0. -.015 9 -15 18 8 0 hd2 1.0 120. 180. .01 2 17 0 0 0 c 1.520 111.000 2*phi 180. .45 8 3 -20 0 0 o 1.230 121.700 180. -.384 11 -19 0 0 0 #pro 14 13 n 1.330 116.600 3*psi 180. -.297 13 0 2 10 0 ca 1.460 121.700 1*omg 180. .057 7 1 3 4 13 ha 1.080 109.000 53.7 .021 1 2 0 0 0 cb 1.53 110.000 174.1 -.026 7 2 5 6 7 hb1 1.0 111.6 120. .023 1 4 0 0 0 hb2 1.0 111.6 -120. .023 1 4 0 0 0 cg 1.51 103.3 0.0 -.034 7 4 8 9 10 hg1 1.0 109. 120. .025 1 7 0 0 0 hg2 1.0 109. -120. .025 1 7 0 0 0 cd 1.51 110.8 0.0 .095 18 7 11 12 1 hd1 1.0 110.7 120. .005 17 10 0 0 0 hd2 1.0 110.7 -120. .005 17 10 0 0 0 c 1.520 111.000 -65.0 .456 8 2 -14 0 0 o 1.230 121.700 180. -.38 11 -13 0 0 0 #ser 11 10 n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0 h 1. 120.000 0. .176 4 1 0 0 0 ca 1.460 121.700 1*omg 180. .064 7 1 4 5 10 ha 1.080 109.000 -60.837 .02 1 3 0 0 0 cb 1.53 110.000 57.576 .13 7 3 6 7 8 hb1 1.0 109.1 -58.473 .02 1 5 0 0 0 hb2 1.0 109.1 58.473 .02 1 5 0 0 0 og 1.42 110.6 4*x1 180. -.31 10 5 9 0 0 hg 1. 108. 5*x2 180. .17 5 8 0 0 0 c 1.520 111.000 2*phi 180. .45 8 3 -11 0 0 o 1.230 121.700 180. -.384 11 -10 0 0 0 #thr 14 13 n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0 h 1. 120.000 0. .176 4 1 0 0 0 ca 1.460 121.700 1*omg 180. .064 7 1 4 5 13 ha 1.080 109.000 -63.043 .02 1 3 0 0 0 cb 1.53 110.000 55.503 .16 7 3 6 7 9 hb 1.0 109.3 -56.998 .015 1 5 0 0 0 og1 1.43 108.6 4*x1 180. -.31 10 5 8 0 0 hg1 1. 108. 5*x21 180. .17 5 7 0 0 0 cg2 1.52 111.5 67.919 -.095 7 5 10 11 12 hg21 1.0 109.47 4*x22 60. .03 1 9 0 0 0 hg22 1.0 109.47 -60. .03 1 9 0 0 0 hg23 1.0 109.47 180. .03 1 9 0 0 0 c 1.520 111.000 2*phi 180. .45 8 3 -14 0 0 o 1.230 121.700 180. -.384 11 -13 0 0 0 #trp 24 23 n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0 h 1. 120.000 0. .176 4 1 0 0 0 ca 1.460 121.700 1*omg 180. .064 7 1 4 5 23 ha 1.080 109.000 -61.187 .02 1 3 0 0 0 cb 1.53 110.000 55.612 -.03 7 3 6 7 8 hb1 1.0 108.1 -58.177 .015 1 5 0 0 0 hb2 1.0 108.1 58.177 .015 1 5 0 0 0 cg 1.5 113.8 4*x1 180. -.025 9 5 -9 22 0 cd1 1.39 126. 12*x2 180. .085 9 -8 10 11 0 hd1 1.0 126. 0. .0 2 9 0 0 0 ne1 1.39 108. 180. -.28 13 9 12 13 0 he1 1. 126. 180. .13 4 11 0 0 0 ce2 1.39 108. 0. .15 9 11 14 -22 0 cz2 1.39 132.0 180. -.06 9 13 15 -16 0 hz2 1.0 120. 0. .03 2 14 0 0 0 ch2 1.39 120. 180. -.005 9 -14 17 18 0 hh2 1.0 120. 180. .01 2 16 0 0 0 cz3 1.39 120. 0. -.02 9 16 19 -20 0 hz3 1.0 120. 180. .01 2 18 0 0 0 ce3 1.39 120. 0. -.08 9 -18 21 22 0 he3 1.0 120. 180. .08 2 20 0 0 0 cd2 1.39 120. 0. .005 9 20 8 -13 0 c 1.520 111.000 2*phi 180. .45 8 3 -24 0 0 o 1.230 121.700 180. -.384 11 -23 0 0 0 #tyr 21 20 n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0 h 1. 120.000 0. .176 4 1 0 0 0 ca 1.460 121.700 1*omg 180. .064 7 1 4 5 20 ha 1.080 109.000 -60.509 .02 1 3 0 0 0 cb 1.53 110.000 61.78 -.04 7 3 6 7 8 hb1 1.0 108.1 -58.177 .025 1 5 0 0 0 hb2 1.0 108.1 58.177 .025 1 5 0 0 0 cg 1.51 113.6 4*x1 180. .02 9 5 -9 18 0 cd1 1.39 120. 12*x2 180. -.01 9 -8 10 11 0 hd1 1.0 120. 0. .01 2 9 0 0 0 ce1 1.39 120. 180. -.06 9 9 12 -13 0 he1 1.0 120. 180. .03 2 11 0 0 0 cz 1.39 120. 0. .225 9 -11 14 16 0 oh 1.38 120.0 180. -.33 10 13 15 0 0 hh 1. 108. 15*x6 180. .165 5 14 0 0 0 ce2 1.39 120. 0. -.06 9 13 17 -18 0 he2 1.0 120. 180. .03 2 16 0 0 0 cd2 1.39 120. 0. -.01 9 -16 19 8 0 hd2 1.0 120. 180. .01 2 18 0 0 0 c 1.520 111.000 2*phi 180. .45 8 3 -21 0 0 o 1.230 121.700 180. -.384 11 -20 0 0 0 #val 16 15 n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0 h 1. 120.000 0. .176 4 1 0 0 0 ca 1.460 121.700 1*omg 180. .064 7 1 4 5 15 ha 1.080 109.000 -62.068 .02 1 3 0 0 0 cb 1.53 110.000 55.387 .008 7 3 6 7 11 hb 1.0 109.1 61.977 .016 1 5 0 0 0 cg1 1.52 110.7 4*x1 180. -.072 7 5 8 9 10 hg11 1.0 109.47 4*x21 -60. .025 1 7 0 0 0 hg12 1.0 109.47 60. .025 1 7 0 0 0 hg13 1.0 109.47 180. .025 1 7 0 0 0 cg2 1.52 110.7 -56.046 -.072 7 5 12 13 14 hg21 1.0 109.47 4*x22 -60. .025 1 11 0 0 0 hg22 1.0 109.47 60. .025 1 11 0 0 0 hg23 1.0 109.47 180. .025 1 11 0 0 0 c 1.520 111.000 2*phi 180. .45 8 3 -16 0 0 o 1.230 121.700 180. -.384 11 -15 0 0 0 #ace 6 5 ch3 1.46 121.7 180. -.129 7 2 3 4 5 h1 1.0 109.471 0. .020 1 1 0 0 0 h2 1.0 109.471 -60.001 .020 1 1 0 0 0 h3 1.0 109.471 60.001 .020 1 1 0 0 0 c 1.520 111.000 180. .455 8 1 -6 0 0 o 1.230 121.700 180. -.386 11 -5 0 0 0 #nme 6 3 n 1.330 116.600 3*psi 180. -.345 13 0 2 3 0 h 1. 120.000 0. .163 4 1 0 0 0 c 1.520 111.000 1*omg 180. .05 7 1 4 5 6 h1 1.0 109.47 2*pht 180. .044 1 3 0 0 0 h2 1.0 109.47 -60. .044 1 3 0 0 0 h3 1.0 109.47 60. .044 1 3 0 0 0 #nh2 4 1 n 1.330 116.600 3*psi 180. -.242 13 0 2 3 4 h1 1. 109.47 7*phi 180. .354 3 1 0 0 0 h2 1. 109.47 60. .354 3 1 0 0 0 h3 1. 109.47 -60. .354 3 1 0 0 0 #nh3+ 4 1 n 1.330 116.600 3*psi 180. -.242 13 0 2 3 4 h1 1. 109.47 7*phi 180. .354 3 1 0 0 0 h2 1. 109.47 60. .354 3 1 0 0 0 h3 1. 109.47 -60. .354 3 1 0 0 0 #nh2g 4 1 n 1.330 116.600 3*psi 180. -.242 13 0 2 3 4 h1 1. 109.47 7*phi 180. .354 3 1 0 0 0 h2 1. 109.47 60. .354 3 1 0 0 0 h3 1. 109.47 -60. .354 3 1 0 0 0 #nh3g 4 1 n 1.330 116.600 3*psi 180. -.242 13 0 2 3 4 h1 1. 109.47 7*phi 180. .354 3 1 0 0 0 h2 1. 109.47 60. .354 3 1 0 0 0 h3 1. 109.47 -60. .354 3 1 0 0 0 #cooh 3 1 c 1.520 111.000 2*phi 180. .395 8 0 -2 -3 0 o 1.230 121.700 0. -.664 12 -1 0 0 0 oxt 1.230 121.700 10*pst 180. -.664 12 -1 0 0 0 #coo- 3 1 c 1.520 111.000 2*phi 180. .395 8 0 -2 -3 0 o 1.230 121.700 0. -.664 12 -1 0 0 0 oxt 1.230 121.700 10*pst 180. -.664 12 -1 0 0 0 #goo- 3 1 # only for gly c 1.520 111.000 2*phi 180. .396 8 0 -2 -3 0 o 1.230 121.700 0. -.665 12 -1 0 0 0 oxt 1.230 121.700 10*pst 180. -.665 12 -1 0 0 0