USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 679 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 123 SER OG : rot 180:sc= 0.128 USER MOD Set 1.2: A 128 SER OG : rot -106:sc= 0.135 USER MOD Set 2.1: A 119 SER OG : rot -54:sc= 0.42 USER MOD Set 2.2: A 132 SER OG : rot 22:sc= 0.428 USER MOD Set 3.1: A 112 ASN : amide:sc= 0.0875 X(o=0.97,f=0.79) USER MOD Set 3.2: A 116 TYR OH : rot -159:sc= 0.878 USER MOD Single : A 6 ASN : amide:sc= -0.185 K(o=-0.18,f=-1.2) USER MOD Single : A 7 LYS NZ :NH3+ 146:sc= -0.937 (180deg=-1.96!) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 170:sc= -1.35 USER MOD Single : A 68 SER OG : rot -109:sc= 0.703 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 171:sc= -0.0127 (180deg=-0.104) USER MOD Single : A 85 SER OG : rot 170:sc= -0.245 USER MOD Single : A 87 ASN : amide:sc= -0.036 X(o=-0.036,f=0) USER MOD Single : A 89 THR OG1 : rot -170:sc= -0.394 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl 161:sc= -0.156 (180deg=-0.764) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 27:sc= 0.0549 USER MOD Single : A 124 ASN : amide:sc= 0.297 K(o=0.3,f=-3.2!) USER MOD Single : A 126 ASN : amide:sc= -0.731 X(o=-0.73,f=-1) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N ALA A 3 68.834 132.383 -8.781 1.00 64.15 N ATOM 35 CA ALA A 3 68.294 131.748 -7.590 1.00 51.21 C ATOM 36 C ALA A 3 67.857 130.327 -7.926 1.00 70.45 C ATOM 37 O ALA A 3 67.582 130.029 -9.091 1.00 75.04 O ATOM 38 CB ALA A 3 67.140 132.570 -7.030 1.00 54.55 C ATOM 0 HA ALA A 3 69.064 131.698 -6.820 1.00 51.21 H new ATOM 0 HB1 ALA A 3 66.745 132.083 -6.138 1.00 54.55 H new ATOM 0 HB2 ALA A 3 67.496 133.567 -6.771 1.00 54.55 H new ATOM 0 HB3 ALA A 3 66.352 132.649 -7.779 1.00 54.55 H new ATOM 44 N ARG A 4 67.813 129.453 -6.929 1.00 74.52 N ATOM 45 CA ARG A 4 67.544 128.033 -7.167 1.00 13.14 C ATOM 46 C ARG A 4 66.042 127.731 -7.236 1.00 75.15 C ATOM 47 O ARG A 4 65.223 128.395 -6.602 1.00 23.31 O ATOM 48 CB ARG A 4 68.258 127.128 -6.123 1.00 50.54 C ATOM 49 CG ARG A 4 67.582 126.928 -4.757 1.00 51.11 C ATOM 50 CD ARG A 4 67.680 128.138 -3.824 1.00 41.52 C ATOM 51 NE ARG A 4 66.655 129.156 -4.101 1.00 33.44 N ATOM 52 CZ ARG A 4 66.648 130.388 -3.586 1.00 14.40 C ATOM 53 NH1 ARG A 4 67.598 130.787 -2.759 1.00 52.33 N ATOM 54 NH2 ARG A 4 65.693 131.230 -3.936 1.00 71.14 N ATOM 0 H ARG A 4 67.959 129.697 -5.949 1.00 74.52 H new ATOM 0 HA ARG A 4 67.962 127.796 -8.146 1.00 13.14 H new ATOM 0 HB2 ARG A 4 68.397 126.145 -6.573 1.00 50.54 H new ATOM 0 HB3 ARG A 4 69.251 127.542 -5.947 1.00 50.54 H new ATOM 0 HG2 ARG A 4 66.530 126.691 -4.916 1.00 51.11 H new ATOM 0 HG3 ARG A 4 68.032 126.066 -4.264 1.00 51.11 H new ATOM 0 HD2 ARG A 4 67.583 127.803 -2.791 1.00 41.52 H new ATOM 0 HD3 ARG A 4 68.668 128.588 -3.922 1.00 41.52 H new ATOM 0 HE ARG A 4 65.895 128.903 -4.732 1.00 33.44 H new ATOM 0 HH11 ARG A 4 68.353 130.150 -2.504 1.00 52.33 H new ATOM 0 HH12 ARG A 4 67.576 131.732 -2.375 1.00 52.33 H new ATOM 0 HH21 ARG A 4 64.970 130.937 -4.594 1.00 71.14 H new ATOM 0 HH22 ARG A 4 65.678 132.174 -3.549 1.00 71.14 H new ATOM 68 N ASP A 5 65.707 126.741 -8.038 1.00 21.23 N ATOM 69 CA ASP A 5 64.335 126.281 -8.204 1.00 41.11 C ATOM 70 C ASP A 5 64.099 125.023 -7.370 1.00 4.30 C ATOM 71 O ASP A 5 64.911 124.100 -7.383 1.00 3.02 O ATOM 72 CB ASP A 5 64.079 126.006 -9.695 1.00 23.22 C ATOM 73 CG ASP A 5 62.760 125.298 -9.957 1.00 55.43 C ATOM 74 OD1 ASP A 5 61.702 125.952 -9.894 1.00 2.21 O ATOM 75 OD2 ASP A 5 62.777 124.085 -10.221 1.00 44.52 O ATOM 0 H ASP A 5 66.383 126.225 -8.601 1.00 21.23 H new ATOM 0 HA ASP A 5 63.642 127.048 -7.858 1.00 41.11 H new ATOM 0 HB2 ASP A 5 64.091 126.950 -10.239 1.00 23.22 H new ATOM 0 HB3 ASP A 5 64.894 125.400 -10.091 1.00 23.22 H new ATOM 80 N ASN A 6 62.985 124.983 -6.657 1.00 73.24 N ATOM 81 CA ASN A 6 62.685 123.864 -5.770 1.00 44.44 C ATOM 82 C ASN A 6 61.307 123.291 -6.074 1.00 10.34 C ATOM 83 O ASN A 6 60.314 124.022 -6.085 1.00 64.30 O ATOM 84 CB ASN A 6 62.732 124.304 -4.294 1.00 44.44 C ATOM 85 CG ASN A 6 64.097 124.787 -3.829 1.00 40.31 C ATOM 86 OD1 ASN A 6 64.427 125.967 -3.942 1.00 44.22 O ATOM 87 ND2 ASN A 6 64.883 123.888 -3.269 1.00 21.44 N ATOM 0 H ASN A 6 62.271 125.712 -6.673 1.00 73.24 H new ATOM 0 HA ASN A 6 63.442 123.098 -5.940 1.00 44.44 H new ATOM 0 HB2 ASN A 6 62.006 125.102 -4.142 1.00 44.44 H new ATOM 0 HB3 ASN A 6 62.423 123.467 -3.667 1.00 44.44 H new ATOM 0 HD21 ASN A 6 65.798 124.162 -2.912 1.00 21.44 H new ATOM 0 HD22 ASN A 6 64.576 122.918 -3.193 1.00 21.44 H new ATOM 94 N LYS A 7 61.252 121.987 -6.339 1.00 22.42 N ATOM 95 CA LYS A 7 59.975 121.274 -6.384 1.00 3.02 C ATOM 96 C LYS A 7 60.100 119.896 -5.738 1.00 34.23 C ATOM 97 O LYS A 7 61.049 119.147 -6.000 1.00 12.33 O ATOM 98 CB LYS A 7 59.391 121.158 -7.815 1.00 65.10 C ATOM 99 CG LYS A 7 60.096 120.193 -8.780 1.00 52.11 C ATOM 100 CD LYS A 7 61.112 120.871 -9.699 1.00 54.43 C ATOM 101 CE LYS A 7 60.452 121.680 -10.813 1.00 43.25 C ATOM 102 NZ LYS A 7 60.096 123.056 -10.376 1.00 72.31 N ATOM 0 H LYS A 7 62.069 121.406 -6.525 1.00 22.42 H new ATOM 0 HA LYS A 7 59.268 121.873 -5.810 1.00 3.02 H new ATOM 0 HB2 LYS A 7 58.348 120.852 -7.731 1.00 65.10 H new ATOM 0 HB3 LYS A 7 59.397 122.151 -8.265 1.00 65.10 H new ATOM 0 HG2 LYS A 7 60.603 119.421 -8.201 1.00 52.11 H new ATOM 0 HG3 LYS A 7 59.345 119.692 -9.391 1.00 52.11 H new ATOM 0 HD2 LYS A 7 61.749 121.528 -9.107 1.00 54.43 H new ATOM 0 HD3 LYS A 7 61.759 120.113 -10.141 1.00 54.43 H new ATOM 0 HE2 LYS A 7 61.127 121.736 -11.667 1.00 43.25 H new ATOM 0 HE3 LYS A 7 59.553 121.164 -11.150 1.00 43.25 H new ATOM 0 HZ1 LYS A 7 60.205 123.713 -11.175 1.00 72.31 H new ATOM 0 HZ2 LYS A 7 59.109 123.072 -10.047 1.00 72.31 H new ATOM 0 HZ3 LYS A 7 60.724 123.347 -9.600 1.00 72.31 H new ATOM 116 N PHE A 8 59.156 119.586 -4.862 1.00 3.13 N ATOM 117 CA PHE A 8 59.103 118.290 -4.197 1.00 31.13 C ATOM 118 C PHE A 8 57.682 118.004 -3.726 1.00 3.21 C ATOM 119 O PHE A 8 56.966 118.908 -3.275 1.00 43.51 O ATOM 120 CB PHE A 8 60.125 118.187 -3.031 1.00 11.34 C ATOM 121 CG PHE A 8 60.050 119.270 -1.974 1.00 40.31 C ATOM 122 CD1 PHE A 8 60.751 120.459 -2.123 1.00 1.44 C ATOM 123 CD2 PHE A 8 59.293 119.088 -0.827 1.00 13.51 C ATOM 124 CE1 PHE A 8 60.693 121.442 -1.156 1.00 35.34 C ATOM 125 CE2 PHE A 8 59.233 120.066 0.142 1.00 44.01 C ATOM 126 CZ PHE A 8 59.932 121.245 -0.023 1.00 32.10 C ATOM 0 H PHE A 8 58.406 120.223 -4.592 1.00 3.13 H new ATOM 0 HA PHE A 8 59.389 117.527 -4.921 1.00 31.13 H new ATOM 0 HB2 PHE A 8 59.990 117.222 -2.542 1.00 11.34 H new ATOM 0 HB3 PHE A 8 61.129 118.192 -3.455 1.00 11.34 H new ATOM 0 HD1 PHE A 8 61.350 120.617 -3.008 1.00 1.44 H new ATOM 0 HD2 PHE A 8 58.743 118.168 -0.691 1.00 13.51 H new ATOM 0 HE1 PHE A 8 61.242 122.363 -1.286 1.00 35.34 H new ATOM 0 HE2 PHE A 8 58.639 119.910 1.031 1.00 44.01 H new ATOM 0 HZ PHE A 8 59.883 122.013 0.735 1.00 32.10 H new ATOM 136 N ASN A 9 57.273 116.757 -3.872 1.00 64.21 N ATOM 137 CA ASN A 9 55.952 116.323 -3.450 1.00 20.10 C ATOM 138 C ASN A 9 56.060 115.163 -2.465 1.00 1.42 C ATOM 139 O ASN A 9 57.046 114.420 -2.463 1.00 63.24 O ATOM 140 CB ASN A 9 55.063 115.962 -4.664 1.00 61.30 C ATOM 141 CG ASN A 9 55.734 115.068 -5.711 1.00 25.30 C ATOM 142 OD1 ASN A 9 56.595 114.248 -5.415 1.00 61.20 O ATOM 143 ND2 ASN A 9 55.320 115.216 -6.959 1.00 53.05 N ATOM 0 H ASN A 9 57.843 116.019 -4.284 1.00 64.21 H new ATOM 0 HA ASN A 9 55.467 117.154 -2.937 1.00 20.10 H new ATOM 0 HB2 ASN A 9 54.165 115.462 -4.302 1.00 61.30 H new ATOM 0 HB3 ASN A 9 54.741 116.884 -5.147 1.00 61.30 H new ATOM 0 HD21 ASN A 9 55.719 114.640 -7.700 1.00 53.05 H new ATOM 0 HD22 ASN A 9 54.602 115.906 -7.180 1.00 53.05 H new ATOM 150 N THR A 10 55.061 115.024 -1.616 1.00 52.53 N ATOM 151 CA THR A 10 55.085 114.011 -0.583 1.00 73.23 C ATOM 152 C THR A 10 54.201 112.823 -0.974 1.00 50.13 C ATOM 153 O THR A 10 52.968 112.912 -0.964 1.00 42.41 O ATOM 154 CB THR A 10 54.644 114.610 0.771 1.00 15.12 C ATOM 155 OG1 THR A 10 55.324 115.856 0.978 1.00 25.00 O ATOM 156 CG2 THR A 10 54.975 113.672 1.924 1.00 23.01 C ATOM 0 H THR A 10 54.221 115.602 -1.623 1.00 52.53 H new ATOM 0 HA THR A 10 56.107 113.648 -0.475 1.00 73.23 H new ATOM 0 HB THR A 10 53.565 114.759 0.743 1.00 15.12 H new ATOM 0 HG1 THR A 10 55.047 116.242 1.835 1.00 25.00 H new ATOM 0 HG21 THR A 10 54.652 114.122 2.863 1.00 23.01 H new ATOM 0 HG22 THR A 10 54.459 112.723 1.780 1.00 23.01 H new ATOM 0 HG23 THR A 10 56.051 113.499 1.955 1.00 23.01 H new ATOM 164 N TRP A 11 54.847 111.727 -1.364 1.00 63.24 N ATOM 165 CA TRP A 11 54.140 110.502 -1.713 1.00 25.34 C ATOM 166 C TRP A 11 54.250 109.474 -0.598 1.00 44.23 C ATOM 167 O TRP A 11 55.247 109.430 0.129 1.00 61.51 O ATOM 168 CB TRP A 11 54.675 109.894 -3.012 1.00 51.32 C ATOM 169 CG TRP A 11 54.433 110.711 -4.247 1.00 61.33 C ATOM 170 CD1 TRP A 11 55.367 111.044 -5.180 1.00 72.42 C ATOM 171 CD2 TRP A 11 53.192 111.286 -4.699 1.00 23.10 C ATOM 172 NE1 TRP A 11 54.791 111.770 -6.185 1.00 61.21 N ATOM 173 CE2 TRP A 11 53.464 111.941 -5.911 1.00 33.42 C ATOM 174 CE3 TRP A 11 51.882 111.314 -4.204 1.00 3.33 C ATOM 175 CZ2 TRP A 11 52.482 112.609 -6.632 1.00 55.45 C ATOM 176 CZ3 TRP A 11 50.910 111.980 -4.923 1.00 73.03 C ATOM 177 CH2 TRP A 11 51.215 112.621 -6.123 1.00 25.24 C ATOM 0 H TRP A 11 55.862 111.664 -1.446 1.00 63.24 H new ATOM 0 HA TRP A 11 53.093 110.770 -1.856 1.00 25.34 H new ATOM 0 HB2 TRP A 11 55.748 109.735 -2.905 1.00 51.32 H new ATOM 0 HB3 TRP A 11 54.220 108.913 -3.150 1.00 51.32 H new ATOM 0 HD1 TRP A 11 56.412 110.774 -5.133 1.00 72.42 H new ATOM 0 HE1 TRP A 11 55.275 112.127 -7.009 1.00 61.21 H new ATOM 0 HE3 TRP A 11 51.636 110.822 -3.274 1.00 3.33 H new ATOM 0 HZ2 TRP A 11 52.713 113.103 -7.564 1.00 55.45 H new ATOM 0 HZ3 TRP A 11 49.897 112.005 -4.550 1.00 73.03 H new ATOM 0 HH2 TRP A 11 50.434 113.137 -6.661 1.00 25.24 H new ATOM 188 N ASN A 12 53.216 108.657 -0.470 1.00 21.22 N ATOM 189 CA ASN A 12 53.164 107.617 0.545 1.00 31.10 C ATOM 190 C ASN A 12 52.262 106.484 0.077 1.00 22.01 C ATOM 191 O ASN A 12 51.281 106.718 -0.631 1.00 1.32 O ATOM 192 CB ASN A 12 52.665 108.178 1.898 1.00 30.24 C ATOM 193 CG ASN A 12 51.313 108.891 1.830 1.00 42.14 C ATOM 194 OD1 ASN A 12 50.260 108.277 1.991 1.00 34.14 O ATOM 195 ND2 ASN A 12 51.341 110.195 1.599 1.00 60.24 N ATOM 0 H ASN A 12 52.390 108.696 -1.067 1.00 21.22 H new ATOM 0 HA ASN A 12 54.173 107.234 0.696 1.00 31.10 H new ATOM 0 HB2 ASN A 12 52.593 107.358 2.613 1.00 30.24 H new ATOM 0 HB3 ASN A 12 53.409 108.874 2.285 1.00 30.24 H new ATOM 0 HD21 ASN A 12 50.470 110.723 1.550 1.00 60.24 H new ATOM 0 HD22 ASN A 12 52.234 110.671 1.470 1.00 60.24 H new ATOM 202 N ASP A 13 52.584 105.256 0.456 1.00 42.22 N ATOM 203 CA ASP A 13 51.704 104.131 0.160 1.00 33.22 C ATOM 204 C ASP A 13 50.663 104.006 1.273 1.00 34.31 C ATOM 205 O ASP A 13 50.951 104.330 2.430 1.00 22.30 O ATOM 206 CB ASP A 13 52.507 102.828 -0.017 1.00 3.34 C ATOM 207 CG ASP A 13 53.152 102.313 1.261 1.00 41.13 C ATOM 208 OD1 ASP A 13 54.248 102.791 1.617 1.00 3.25 O ATOM 209 OD2 ASP A 13 52.567 101.414 1.900 1.00 22.54 O ATOM 0 H ASP A 13 53.436 105.013 0.962 1.00 42.22 H new ATOM 0 HA ASP A 13 51.191 104.312 -0.784 1.00 33.22 H new ATOM 0 HB2 ASP A 13 51.845 102.058 -0.412 1.00 3.34 H new ATOM 0 HB3 ASP A 13 53.285 102.993 -0.762 1.00 3.34 H new ATOM 214 N SER A 14 49.453 103.591 0.926 1.00 13.34 N ATOM 215 CA SER A 14 48.383 103.502 1.904 1.00 42.44 C ATOM 216 C SER A 14 47.527 102.270 1.670 1.00 2.13 C ATOM 217 O SER A 14 46.709 102.237 0.746 1.00 12.32 O ATOM 218 CB SER A 14 47.511 104.757 1.847 1.00 72.13 C ATOM 219 OG SER A 14 46.645 104.833 2.964 1.00 52.22 O ATOM 0 H SER A 14 49.191 103.313 -0.020 1.00 13.34 H new ATOM 0 HA SER A 14 48.837 103.421 2.892 1.00 42.44 H new ATOM 0 HB2 SER A 14 48.146 105.642 1.816 1.00 72.13 H new ATOM 0 HB3 SER A 14 46.924 104.753 0.929 1.00 72.13 H new ATOM 0 HG SER A 14 46.101 105.646 2.902 1.00 52.22 H new ATOM 225 N ARG A 15 47.740 101.249 2.497 1.00 52.44 N ATOM 226 CA ARG A 15 46.927 100.039 2.469 1.00 42.22 C ATOM 227 C ARG A 15 46.582 99.617 3.892 1.00 71.35 C ATOM 228 O ARG A 15 47.433 99.665 4.785 1.00 42.23 O ATOM 229 CB ARG A 15 47.651 98.883 1.744 1.00 44.25 C ATOM 230 CG ARG A 15 47.813 99.090 0.244 1.00 14.31 C ATOM 231 CD ARG A 15 46.470 99.106 -0.477 1.00 71.23 C ATOM 232 NE ARG A 15 46.499 99.959 -1.666 1.00 25.22 N ATOM 233 CZ ARG A 15 46.402 99.517 -2.926 1.00 61.11 C ATOM 234 NH1 ARG A 15 46.314 98.217 -3.188 1.00 50.31 N ATOM 235 NH2 ARG A 15 46.397 100.388 -3.927 1.00 41.13 N ATOM 0 H ARG A 15 48.478 101.238 3.201 1.00 52.44 H new ATOM 0 HA ARG A 15 46.014 100.262 1.917 1.00 42.22 H new ATOM 0 HB2 ARG A 15 48.637 98.751 2.190 1.00 44.25 H new ATOM 0 HB3 ARG A 15 47.098 97.959 1.914 1.00 44.25 H new ATOM 0 HG2 ARG A 15 48.334 100.030 0.062 1.00 14.31 H new ATOM 0 HG3 ARG A 15 48.436 98.295 -0.167 1.00 14.31 H new ATOM 0 HD2 ARG A 15 46.201 98.090 -0.766 1.00 71.23 H new ATOM 0 HD3 ARG A 15 45.696 99.459 0.205 1.00 71.23 H new ATOM 0 HE ARG A 15 46.601 100.964 -1.524 1.00 25.22 H new ATOM 0 HH11 ARG A 15 46.320 97.541 -2.424 1.00 50.31 H new ATOM 0 HH12 ARG A 15 46.241 97.895 -4.153 1.00 50.31 H new ATOM 0 HH21 ARG A 15 46.467 101.387 -3.734 1.00 41.13 H new ATOM 0 HH22 ARG A 15 46.323 100.058 -4.889 1.00 41.13 H new ATOM 249 N GLY A 16 45.330 99.227 4.095 1.00 61.12 N ATOM 250 CA GLY A 16 44.885 98.720 5.381 1.00 42.11 C ATOM 251 C GLY A 16 44.222 97.371 5.238 1.00 71.54 C ATOM 252 O GLY A 16 43.840 96.984 4.133 1.00 64.21 O ATOM 0 H GLY A 16 44.603 99.254 3.380 1.00 61.12 H new ATOM 0 HA2 GLY A 16 45.736 98.640 6.057 1.00 42.11 H new ATOM 0 HA3 GLY A 16 44.186 99.425 5.831 1.00 42.11 H new ATOM 256 N ASN A 17 44.081 96.649 6.344 1.00 11.43 N ATOM 257 CA ASN A 17 43.488 95.312 6.300 1.00 25.13 C ATOM 258 C ASN A 17 41.959 95.386 6.378 1.00 12.21 C ATOM 259 O ASN A 17 41.395 96.297 6.992 1.00 52.22 O ATOM 260 CB ASN A 17 44.070 94.394 7.405 1.00 63.03 C ATOM 261 CG ASN A 17 43.594 94.712 8.818 1.00 65.43 C ATOM 262 OD1 ASN A 17 44.163 95.562 9.501 1.00 54.35 O ATOM 263 ND2 ASN A 17 42.575 93.998 9.280 1.00 40.22 N ATOM 0 H ASN A 17 44.365 96.960 7.273 1.00 11.43 H new ATOM 0 HA ASN A 17 43.750 94.865 5.341 1.00 25.13 H new ATOM 0 HB2 ASN A 17 43.810 93.361 7.173 1.00 63.03 H new ATOM 0 HB3 ASN A 17 45.158 94.463 7.379 1.00 63.03 H new ATOM 0 HD21 ASN A 17 42.239 94.146 10.232 1.00 40.22 H new ATOM 0 HD22 ASN A 17 42.128 93.302 8.683 1.00 40.22 H new ATOM 270 N TYR A 18 41.305 94.431 5.730 1.00 43.13 N ATOM 271 CA TYR A 18 39.849 94.367 5.679 1.00 52.41 C ATOM 272 C TYR A 18 39.385 92.914 5.595 1.00 11.02 C ATOM 273 O TYR A 18 40.214 92.020 5.378 1.00 13.20 O ATOM 274 CB TYR A 18 39.302 95.190 4.491 1.00 73.51 C ATOM 275 CG TYR A 18 40.012 94.964 3.169 1.00 64.54 C ATOM 276 CD1 TYR A 18 39.675 93.909 2.335 1.00 74.54 C ATOM 277 CD2 TYR A 18 41.020 95.822 2.759 1.00 4.53 C ATOM 278 CE1 TYR A 18 40.329 93.710 1.138 1.00 43.12 C ATOM 279 CE2 TYR A 18 41.679 95.633 1.564 1.00 12.45 C ATOM 280 CZ TYR A 18 41.331 94.575 0.756 1.00 22.22 C ATOM 281 OH TYR A 18 41.993 94.375 -0.431 1.00 30.22 O ATOM 0 H TYR A 18 41.769 93.677 5.224 1.00 43.13 H new ATOM 0 HA TYR A 18 39.453 94.803 6.596 1.00 52.41 H new ATOM 0 HB2 TYR A 18 38.245 94.955 4.363 1.00 73.51 H new ATOM 0 HB3 TYR A 18 39.365 96.249 4.743 1.00 73.51 H new ATOM 0 HD1 TYR A 18 38.887 93.232 2.628 1.00 74.54 H new ATOM 0 HD2 TYR A 18 41.294 96.655 3.389 1.00 4.53 H new ATOM 0 HE1 TYR A 18 40.057 92.880 0.503 1.00 43.12 H new ATOM 0 HE2 TYR A 18 42.464 96.311 1.263 1.00 12.45 H new ATOM 0 HH TYR A 18 42.669 95.074 -0.550 1.00 30.22 H new ATOM 291 N TRP A 19 38.061 92.722 5.740 1.00 3.11 N ATOM 292 CA TRP A 19 37.397 91.404 5.778 1.00 51.44 C ATOM 293 C TRP A 19 37.963 90.521 6.890 1.00 60.22 C ATOM 294 O TRP A 19 38.686 89.554 6.648 1.00 14.45 O ATOM 295 CB TRP A 19 37.425 90.683 4.414 1.00 22.22 C ATOM 296 CG TRP A 19 36.614 91.361 3.349 1.00 63.52 C ATOM 297 CD1 TRP A 19 35.440 92.041 3.514 1.00 25.11 C ATOM 298 CD2 TRP A 19 36.906 91.400 1.949 1.00 11.41 C ATOM 299 NE1 TRP A 19 34.994 92.508 2.307 1.00 23.03 N ATOM 300 CE2 TRP A 19 35.876 92.134 1.332 1.00 45.21 C ATOM 301 CE3 TRP A 19 37.944 90.900 1.159 1.00 34.42 C ATOM 302 CZ2 TRP A 19 35.848 92.366 -0.039 1.00 61.05 C ATOM 303 CZ3 TRP A 19 37.914 91.132 -0.201 1.00 33.30 C ATOM 304 CH2 TRP A 19 36.876 91.863 -0.786 1.00 41.42 C ATOM 0 H TRP A 19 37.406 93.498 5.836 1.00 3.11 H new ATOM 0 HA TRP A 19 36.348 91.594 6.006 1.00 51.44 H new ATOM 0 HB2 TRP A 19 38.458 90.607 4.076 1.00 22.22 H new ATOM 0 HB3 TRP A 19 37.056 89.666 4.545 1.00 22.22 H new ATOM 0 HD1 TRP A 19 34.938 92.188 4.459 1.00 25.11 H new ATOM 0 HE1 TRP A 19 34.141 93.048 2.159 1.00 23.03 H new ATOM 0 HE3 TRP A 19 38.755 90.342 1.604 1.00 34.42 H new ATOM 0 HZ2 TRP A 19 35.044 92.923 -0.496 1.00 61.05 H new ATOM 0 HZ3 TRP A 19 38.706 90.742 -0.824 1.00 33.30 H new ATOM 0 HH2 TRP A 19 36.887 92.034 -1.852 1.00 41.42 H new ATOM 315 N SER A 20 37.655 90.902 8.118 1.00 41.01 N ATOM 316 CA SER A 20 38.105 90.174 9.295 1.00 20.22 C ATOM 317 C SER A 20 36.902 89.750 10.143 1.00 52.22 C ATOM 318 O SER A 20 37.041 89.321 11.288 1.00 30.20 O ATOM 319 CB SER A 20 39.062 91.055 10.102 1.00 74.22 C ATOM 320 OG SER A 20 40.176 91.459 9.315 1.00 72.15 O ATOM 0 H SER A 20 37.087 91.723 8.328 1.00 41.01 H new ATOM 0 HA SER A 20 38.635 89.272 8.988 1.00 20.22 H new ATOM 0 HB2 SER A 20 38.531 91.935 10.465 1.00 74.22 H new ATOM 0 HB3 SER A 20 39.411 90.509 10.979 1.00 74.22 H new ATOM 0 HG SER A 20 40.770 92.022 9.854 1.00 72.15 H new ATOM 326 N ASP A 21 35.718 89.859 9.544 1.00 34.21 N ATOM 327 CA ASP A 21 34.465 89.513 10.204 1.00 12.42 C ATOM 328 C ASP A 21 34.189 88.010 10.104 1.00 61.42 C ATOM 329 O ASP A 21 34.874 87.287 9.370 1.00 61.10 O ATOM 330 CB ASP A 21 33.295 90.327 9.607 1.00 63.11 C ATOM 331 CG ASP A 21 33.027 90.023 8.136 1.00 63.25 C ATOM 332 OD1 ASP A 21 33.767 90.542 7.269 1.00 24.53 O ATOM 333 OD2 ASP A 21 32.085 89.266 7.847 1.00 41.30 O ATOM 0 H ASP A 21 35.602 90.190 8.586 1.00 34.21 H new ATOM 0 HA ASP A 21 34.556 89.767 11.260 1.00 12.42 H new ATOM 0 HB2 ASP A 21 32.391 90.124 10.182 1.00 63.11 H new ATOM 0 HB3 ASP A 21 33.510 91.390 9.716 1.00 63.11 H new ATOM 338 N TYR A 22 33.197 87.552 10.852 1.00 32.40 N ATOM 339 CA TYR A 22 32.820 86.151 10.851 1.00 44.43 C ATOM 340 C TYR A 22 31.375 85.992 10.376 1.00 72.03 C ATOM 341 O TYR A 22 30.704 86.973 10.036 1.00 52.21 O ATOM 342 CB TYR A 22 33.040 85.522 12.256 1.00 15.54 C ATOM 343 CG TYR A 22 32.154 86.055 13.380 1.00 23.13 C ATOM 344 CD1 TYR A 22 32.390 87.291 13.971 1.00 72.25 C ATOM 345 CD2 TYR A 22 31.088 85.305 13.854 1.00 14.31 C ATOM 346 CE1 TYR A 22 31.584 87.766 14.986 1.00 40.42 C ATOM 347 CE2 TYR A 22 30.280 85.772 14.868 1.00 24.22 C ATOM 348 CZ TYR A 22 30.532 87.003 15.432 1.00 52.41 C ATOM 349 OH TYR A 22 29.722 87.471 16.439 1.00 51.13 O ATOM 0 H TYR A 22 32.636 88.137 11.471 1.00 32.40 H new ATOM 0 HA TYR A 22 33.460 85.613 10.152 1.00 44.43 H new ATOM 0 HB2 TYR A 22 32.884 84.446 12.178 1.00 15.54 H new ATOM 0 HB3 TYR A 22 34.081 85.673 12.540 1.00 15.54 H new ATOM 0 HD1 TYR A 22 33.220 87.891 13.629 1.00 72.25 H new ATOM 0 HD2 TYR A 22 30.887 84.337 13.420 1.00 14.31 H new ATOM 0 HE1 TYR A 22 31.779 88.732 15.427 1.00 40.42 H new ATOM 0 HE2 TYR A 22 29.452 85.175 15.219 1.00 24.22 H new ATOM 0 HH TYR A 22 29.026 86.809 16.633 1.00 51.13 H new ATOM 848 N PRO A 59 -20.667 0.572 15.152 1.00 61.11 N ATOM 849 CA PRO A 59 -20.129 -0.423 14.227 1.00 51.03 C ATOM 850 C PRO A 59 -18.693 -0.106 13.825 1.00 14.03 C ATOM 851 O PRO A 59 -18.348 1.042 13.532 1.00 33.10 O ATOM 852 CB PRO A 59 -21.050 -0.349 13.020 1.00 34.21 C ATOM 853 CG PRO A 59 -21.674 1.003 13.084 1.00 73.03 C ATOM 854 CD PRO A 59 -21.757 1.355 14.541 1.00 32.44 C ATOM 0 HA PRO A 59 -20.095 -1.415 14.677 1.00 51.03 H new ATOM 0 HB2 PRO A 59 -20.494 -0.482 12.092 1.00 34.21 H new ATOM 0 HB3 PRO A 59 -21.806 -1.133 13.054 1.00 34.21 H new ATOM 0 HG2 PRO A 59 -21.076 1.734 12.540 1.00 73.03 H new ATOM 0 HG3 PRO A 59 -22.664 0.997 12.627 1.00 73.03 H new ATOM 0 HD2 PRO A 59 -21.621 2.424 14.703 1.00 32.44 H new ATOM 0 HD3 PRO A 59 -22.726 1.089 14.963 1.00 32.44 H new ATOM 862 N VAL A 60 -17.870 -1.131 13.800 1.00 55.43 N ATOM 863 CA VAL A 60 -16.450 -0.943 13.634 1.00 24.14 C ATOM 864 C VAL A 60 -16.035 -1.092 12.160 1.00 42.13 C ATOM 865 O VAL A 60 -16.119 -2.165 11.549 1.00 74.24 O ATOM 866 CB VAL A 60 -15.653 -1.869 14.604 1.00 2.02 C ATOM 867 CG1 VAL A 60 -16.037 -3.335 14.448 1.00 31.54 C ATOM 868 CG2 VAL A 60 -14.155 -1.667 14.445 1.00 72.12 C ATOM 0 H VAL A 60 -18.162 -2.104 13.893 1.00 55.43 H new ATOM 0 HA VAL A 60 -16.196 0.080 13.910 1.00 24.14 H new ATOM 0 HB VAL A 60 -15.926 -1.580 15.619 1.00 2.02 H new ATOM 0 HG11 VAL A 60 -15.456 -3.939 15.144 1.00 31.54 H new ATOM 0 HG12 VAL A 60 -17.099 -3.458 14.661 1.00 31.54 H new ATOM 0 HG13 VAL A 60 -15.832 -3.658 13.428 1.00 31.54 H new ATOM 0 HG21 VAL A 60 -13.624 -2.325 15.133 1.00 72.12 H new ATOM 0 HG22 VAL A 60 -13.863 -1.901 13.421 1.00 72.12 H new ATOM 0 HG23 VAL A 60 -13.902 -0.630 14.667 1.00 72.12 H new ATOM 878 N LEU A 61 -15.667 0.041 11.585 1.00 35.22 N ATOM 879 CA LEU A 61 -15.139 0.111 10.229 1.00 14.14 C ATOM 880 C LEU A 61 -13.658 -0.327 10.214 1.00 54.24 C ATOM 881 O LEU A 61 -13.018 -0.338 11.270 1.00 73.13 O ATOM 882 CB LEU A 61 -15.352 1.529 9.574 1.00 30.52 C ATOM 883 CG LEU A 61 -15.185 2.851 10.403 1.00 30.15 C ATOM 884 CD1 LEU A 61 -16.364 3.110 11.328 1.00 45.25 C ATOM 885 CD2 LEU A 61 -13.885 2.905 11.195 1.00 62.23 C ATOM 0 H LEU A 61 -15.726 0.947 12.049 1.00 35.22 H new ATOM 0 HA LEU A 61 -15.704 -0.585 9.609 1.00 14.14 H new ATOM 0 HB2 LEU A 61 -14.664 1.595 8.731 1.00 30.52 H new ATOM 0 HB3 LEU A 61 -16.361 1.539 9.163 1.00 30.52 H new ATOM 0 HG LEU A 61 -15.150 3.644 9.656 1.00 30.15 H new ATOM 0 HD11 LEU A 61 -16.198 4.036 11.878 1.00 45.25 H new ATOM 0 HD12 LEU A 61 -17.277 3.196 10.739 1.00 45.25 H new ATOM 0 HD13 LEU A 61 -16.463 2.283 12.031 1.00 45.25 H new ATOM 0 HD21 LEU A 61 -13.833 3.845 11.745 1.00 62.23 H new ATOM 0 HD22 LEU A 61 -13.851 2.071 11.896 1.00 62.23 H new ATOM 0 HD23 LEU A 61 -13.039 2.838 10.511 1.00 62.23 H new ATOM 897 N PRO A 62 -13.087 -0.722 9.045 1.00 53.34 N ATOM 898 CA PRO A 62 -11.695 -1.160 8.982 1.00 3.30 C ATOM 899 C PRO A 62 -10.677 -0.040 9.120 1.00 54.25 C ATOM 900 O PRO A 62 -11.006 1.147 9.246 1.00 3.53 O ATOM 901 CB PRO A 62 -11.544 -1.762 7.597 1.00 44.03 C ATOM 902 CG PRO A 62 -12.609 -1.136 6.774 1.00 43.05 C ATOM 903 CD PRO A 62 -13.734 -0.810 7.719 1.00 64.12 C ATOM 0 HA PRO A 62 -11.500 -1.841 9.810 1.00 3.30 H new ATOM 0 HB2 PRO A 62 -10.557 -1.555 7.185 1.00 44.03 H new ATOM 0 HB3 PRO A 62 -11.656 -2.846 7.626 1.00 44.03 H new ATOM 0 HG2 PRO A 62 -12.241 -0.236 6.281 1.00 43.05 H new ATOM 0 HG3 PRO A 62 -12.944 -1.815 5.990 1.00 43.05 H new ATOM 0 HD2 PRO A 62 -14.219 0.129 7.451 1.00 64.12 H new ATOM 0 HD3 PRO A 62 -14.503 -1.582 7.703 1.00 64.12 H new ATOM 911 N THR A 63 -9.432 -0.457 9.090 1.00 22.24 N ATOM 912 CA THR A 63 -8.302 0.422 9.096 1.00 31.21 C ATOM 913 C THR A 63 -7.226 -0.185 8.211 1.00 74.22 C ATOM 914 O THR A 63 -6.682 -1.244 8.531 1.00 2.22 O ATOM 915 CB THR A 63 -7.744 0.628 10.521 1.00 41.31 C ATOM 916 OG1 THR A 63 -8.786 1.045 11.413 1.00 75.24 O ATOM 917 CG2 THR A 63 -6.653 1.673 10.496 1.00 12.44 C ATOM 0 H THR A 63 -9.178 -1.445 9.060 1.00 22.24 H new ATOM 0 HA THR A 63 -8.613 1.398 8.723 1.00 31.21 H new ATOM 0 HB THR A 63 -7.336 -0.319 10.875 1.00 41.31 H new ATOM 0 HG1 THR A 63 -8.417 1.170 12.312 1.00 75.24 H new ATOM 0 HG21 THR A 63 -6.262 1.815 11.504 1.00 12.44 H new ATOM 0 HG22 THR A 63 -5.849 1.344 9.838 1.00 12.44 H new ATOM 0 HG23 THR A 63 -7.060 2.615 10.128 1.00 12.44 H new ATOM 925 N ALA A 64 -6.959 0.456 7.088 1.00 53.42 N ATOM 926 CA ALA A 64 -5.889 0.040 6.213 1.00 50.03 C ATOM 927 C ALA A 64 -4.582 0.562 6.765 1.00 40.31 C ATOM 928 O ALA A 64 -4.426 1.763 6.999 1.00 60.42 O ATOM 929 CB ALA A 64 -6.120 0.537 4.801 1.00 51.21 C ATOM 0 H ALA A 64 -7.476 1.273 6.762 1.00 53.42 H new ATOM 0 HA ALA A 64 -5.856 -1.049 6.169 1.00 50.03 H new ATOM 0 HB1 ALA A 64 -5.300 0.210 4.162 1.00 51.21 H new ATOM 0 HB2 ALA A 64 -7.059 0.133 4.422 1.00 51.21 H new ATOM 0 HB3 ALA A 64 -6.168 1.626 4.802 1.00 51.21 H new ATOM 935 N ARG A 65 -3.668 -0.346 7.021 1.00 73.35 N ATOM 936 CA ARG A 65 -2.389 0.003 7.593 1.00 61.55 C ATOM 937 C ARG A 65 -1.337 -0.884 6.966 1.00 5.23 C ATOM 938 O ARG A 65 -1.569 -2.076 6.793 1.00 32.54 O ATOM 939 CB ARG A 65 -2.425 -0.173 9.126 1.00 23.33 C ATOM 940 CG ARG A 65 -1.201 0.363 9.860 1.00 12.22 C ATOM 941 CD ARG A 65 -1.079 1.868 9.709 1.00 3.11 C ATOM 942 NE ARG A 65 0.086 2.406 10.408 1.00 33.44 N ATOM 943 CZ ARG A 65 0.253 3.693 10.719 1.00 61.51 C ATOM 944 NH1 ARG A 65 -0.672 4.594 10.398 1.00 40.42 N ATOM 945 NH2 ARG A 65 1.353 4.076 11.355 1.00 35.33 N ATOM 0 H ARG A 65 -3.790 -1.342 6.839 1.00 73.35 H new ATOM 0 HA ARG A 65 -2.152 1.048 7.391 1.00 61.55 H new ATOM 0 HB2 ARG A 65 -3.312 0.327 9.514 1.00 23.33 H new ATOM 0 HB3 ARG A 65 -2.532 -1.234 9.353 1.00 23.33 H new ATOM 0 HG2 ARG A 65 -1.268 0.106 10.917 1.00 12.22 H new ATOM 0 HG3 ARG A 65 -0.303 -0.117 9.471 1.00 12.22 H new ATOM 0 HD2 ARG A 65 -1.012 2.120 8.651 1.00 3.11 H new ATOM 0 HD3 ARG A 65 -1.981 2.343 10.094 1.00 3.11 H new ATOM 0 HE ARG A 65 0.822 1.753 10.677 1.00 33.44 H new ATOM 0 HH11 ARG A 65 -1.519 4.304 9.909 1.00 40.42 H new ATOM 0 HH12 ARG A 65 -0.534 5.575 10.641 1.00 40.42 H new ATOM 0 HH21 ARG A 65 2.064 3.388 11.603 1.00 35.33 H new ATOM 0 HH22 ARG A 65 1.487 5.058 11.596 1.00 35.33 H new ATOM 959 N PHE A 66 -0.217 -0.294 6.574 1.00 51.05 N ATOM 960 CA PHE A 66 0.899 -1.050 6.030 1.00 72.33 C ATOM 961 C PHE A 66 2.185 -0.264 6.189 1.00 70.23 C ATOM 962 O PHE A 66 2.183 0.971 6.158 1.00 32.20 O ATOM 963 CB PHE A 66 0.680 -1.443 4.546 1.00 14.13 C ATOM 964 CG PHE A 66 0.615 -0.312 3.546 1.00 10.21 C ATOM 965 CD1 PHE A 66 -0.449 0.582 3.534 1.00 43.21 C ATOM 966 CD2 PHE A 66 1.610 -0.163 2.598 1.00 54.44 C ATOM 967 CE1 PHE A 66 -0.511 1.595 2.605 1.00 32.13 C ATOM 968 CE2 PHE A 66 1.547 0.846 1.664 1.00 24.44 C ATOM 969 CZ PHE A 66 0.485 1.726 1.670 1.00 44.22 C ATOM 0 H PHE A 66 -0.058 0.712 6.624 1.00 51.05 H new ATOM 0 HA PHE A 66 0.971 -1.979 6.595 1.00 72.33 H new ATOM 0 HB2 PHE A 66 1.487 -2.113 4.249 1.00 14.13 H new ATOM 0 HB3 PHE A 66 -0.248 -2.011 4.478 1.00 14.13 H new ATOM 0 HD1 PHE A 66 -1.238 0.480 4.264 1.00 43.21 H new ATOM 0 HD2 PHE A 66 2.446 -0.846 2.590 1.00 54.44 H new ATOM 0 HE1 PHE A 66 -1.341 2.285 2.612 1.00 32.13 H new ATOM 0 HE2 PHE A 66 2.329 0.949 0.926 1.00 24.44 H new ATOM 0 HZ PHE A 66 0.437 2.519 0.938 1.00 44.22 H new ATOM 979 N THR A 67 3.272 -0.984 6.382 1.00 42.13 N ATOM 980 CA THR A 67 4.579 -0.376 6.478 1.00 60.12 C ATOM 981 C THR A 67 5.376 -0.647 5.218 1.00 21.00 C ATOM 982 O THR A 67 5.440 -1.782 4.744 1.00 41.30 O ATOM 983 CB THR A 67 5.371 -0.909 7.687 1.00 23.54 C ATOM 984 OG1 THR A 67 5.321 -2.336 7.699 1.00 11.32 O ATOM 985 CG2 THR A 67 4.834 -0.375 8.999 1.00 3.42 C ATOM 0 H THR A 67 3.272 -2.000 6.476 1.00 42.13 H new ATOM 0 HA THR A 67 4.426 0.696 6.606 1.00 60.12 H new ATOM 0 HB THR A 67 6.401 -0.566 7.585 1.00 23.54 H new ATOM 0 HG1 THR A 67 5.951 -2.680 8.366 1.00 11.32 H new ATOM 0 HG21 THR A 67 5.423 -0.777 9.824 1.00 3.42 H new ATOM 0 HG22 THR A 67 4.900 0.713 9.003 1.00 3.42 H new ATOM 0 HG23 THR A 67 3.793 -0.676 9.116 1.00 3.42 H new ATOM 993 N SER A 68 5.951 0.397 4.666 1.00 13.44 N ATOM 994 CA SER A 68 6.945 0.244 3.627 1.00 42.32 C ATOM 995 C SER A 68 8.316 0.347 4.283 1.00 43.10 C ATOM 996 O SER A 68 8.468 1.097 5.254 1.00 21.22 O ATOM 997 CB SER A 68 6.760 1.307 2.544 1.00 14.45 C ATOM 998 OG SER A 68 7.639 1.083 1.458 1.00 0.15 O ATOM 0 H SER A 68 5.747 1.364 4.920 1.00 13.44 H new ATOM 0 HA SER A 68 6.843 -0.724 3.136 1.00 42.32 H new ATOM 0 HB2 SER A 68 5.729 1.295 2.190 1.00 14.45 H new ATOM 0 HB3 SER A 68 6.941 2.296 2.965 1.00 14.45 H new ATOM 0 HG SER A 68 8.331 1.777 1.448 1.00 0.15 H new ATOM 1004 N ASP A 69 9.286 -0.433 3.786 1.00 61.24 N ATOM 1005 CA ASP A 69 10.638 -0.475 4.360 1.00 63.25 C ATOM 1006 C ASP A 69 11.327 0.890 4.238 1.00 31.41 C ATOM 1007 O ASP A 69 11.956 1.365 5.188 1.00 24.42 O ATOM 1008 CB ASP A 69 11.462 -1.578 3.682 1.00 62.23 C ATOM 1009 CG ASP A 69 12.832 -1.771 4.299 1.00 3.31 C ATOM 1010 OD1 ASP A 69 12.917 -2.315 5.418 1.00 60.21 O ATOM 1011 OD2 ASP A 69 13.835 -1.397 3.658 1.00 72.11 O ATOM 0 H ASP A 69 9.158 -1.047 2.982 1.00 61.24 H new ATOM 0 HA ASP A 69 10.561 -0.708 5.422 1.00 63.25 H new ATOM 0 HB2 ASP A 69 10.912 -2.517 3.736 1.00 62.23 H new ATOM 0 HB3 ASP A 69 11.578 -1.337 2.625 1.00 62.23 H new ATOM 1016 N ILE A 70 11.178 1.523 3.072 1.00 62.22 N ATOM 1017 CA ILE A 70 11.620 2.899 2.881 1.00 70.01 C ATOM 1018 C ILE A 70 10.503 3.759 2.294 1.00 55.53 C ATOM 1019 O ILE A 70 9.575 3.253 1.658 1.00 33.11 O ATOM 1020 CB ILE A 70 12.914 3.015 2.004 1.00 1.42 C ATOM 1021 CG1 ILE A 70 12.897 2.095 0.763 1.00 35.41 C ATOM 1022 CG2 ILE A 70 14.159 2.741 2.832 1.00 74.05 C ATOM 1023 CD1 ILE A 70 12.231 2.691 -0.464 1.00 14.55 C ATOM 0 H ILE A 70 10.753 1.100 2.247 1.00 62.22 H new ATOM 0 HA ILE A 70 11.875 3.273 3.873 1.00 70.01 H new ATOM 0 HB ILE A 70 12.935 4.042 1.640 1.00 1.42 H new ATOM 0 HG12 ILE A 70 13.924 1.832 0.510 1.00 35.41 H new ATOM 0 HG13 ILE A 70 12.385 1.168 1.022 1.00 35.41 H new ATOM 0 HG21 ILE A 70 15.043 2.828 2.200 1.00 74.05 H new ATOM 0 HG22 ILE A 70 14.222 3.464 3.645 1.00 74.05 H new ATOM 0 HG23 ILE A 70 14.106 1.734 3.246 1.00 74.05 H new ATOM 0 HD11 ILE A 70 12.268 1.973 -1.283 1.00 14.55 H new ATOM 0 HD12 ILE A 70 11.192 2.928 -0.235 1.00 14.55 H new ATOM 0 HD13 ILE A 70 12.755 3.601 -0.756 1.00 14.55 H new ATOM 1035 N THR A 71 10.601 5.051 2.524 1.00 30.21 N ATOM 1036 CA THR A 71 9.696 6.012 1.915 1.00 52.12 C ATOM 1037 C THR A 71 10.447 6.867 0.906 1.00 22.11 C ATOM 1038 O THR A 71 9.840 7.493 0.050 1.00 65.40 O ATOM 1039 CB THR A 71 9.020 6.912 2.963 1.00 42.12 C ATOM 1040 OG1 THR A 71 9.947 7.220 4.013 1.00 42.33 O ATOM 1041 CG2 THR A 71 7.774 6.244 3.532 1.00 4.03 C ATOM 0 H THR A 71 11.305 5.467 3.134 1.00 30.21 H new ATOM 0 HA THR A 71 8.912 5.449 1.409 1.00 52.12 H new ATOM 0 HB THR A 71 8.713 7.838 2.477 1.00 42.12 H new ATOM 0 HG1 THR A 71 9.511 7.795 4.676 1.00 42.33 H new ATOM 0 HG21 THR A 71 7.314 6.901 4.271 1.00 4.03 H new ATOM 0 HG22 THR A 71 7.065 6.051 2.727 1.00 4.03 H new ATOM 0 HG23 THR A 71 8.050 5.302 4.006 1.00 4.03 H new ATOM 1049 N GLU A 72 11.776 6.865 1.020 1.00 51.24 N ATOM 1050 CA GLU A 72 12.654 7.567 0.101 1.00 52.10 C ATOM 1051 C GLU A 72 13.995 6.838 0.044 1.00 13.41 C ATOM 1052 O GLU A 72 14.447 6.277 1.043 1.00 73.20 O ATOM 1053 CB GLU A 72 12.844 9.040 0.512 1.00 71.03 C ATOM 1054 CG GLU A 72 13.715 9.843 -0.457 1.00 0.43 C ATOM 1055 CD GLU A 72 13.772 11.316 -0.144 1.00 61.15 C ATOM 1056 OE1 GLU A 72 14.228 11.685 0.954 1.00 3.40 O ATOM 1057 OE2 GLU A 72 13.391 12.116 -1.020 1.00 1.51 O ATOM 0 H GLU A 72 12.271 6.370 1.762 1.00 51.24 H new ATOM 0 HA GLU A 72 12.199 7.573 -0.889 1.00 52.10 H new ATOM 0 HB2 GLU A 72 11.866 9.516 0.587 1.00 71.03 H new ATOM 0 HB3 GLU A 72 13.293 9.076 1.505 1.00 71.03 H new ATOM 0 HG2 GLU A 72 14.727 9.438 -0.442 1.00 0.43 H new ATOM 0 HG3 GLU A 72 13.333 9.710 -1.469 1.00 0.43 H new ATOM 1064 N GLY A 73 14.576 6.802 -1.142 1.00 74.03 N ATOM 1065 CA GLY A 73 15.878 6.211 -1.353 1.00 65.24 C ATOM 1066 C GLY A 73 16.176 6.150 -2.825 1.00 44.24 C ATOM 1067 O GLY A 73 15.378 6.629 -3.623 1.00 23.45 O ATOM 0 H GLY A 73 14.153 7.185 -1.987 1.00 74.03 H new ATOM 0 HA2 GLY A 73 16.641 6.798 -0.842 1.00 65.24 H new ATOM 0 HA3 GLY A 73 15.907 5.209 -0.925 1.00 65.24 H new ATOM 1071 N PHE A 74 17.316 5.583 -3.192 1.00 3.03 N ATOM 1072 CA PHE A 74 17.649 5.381 -4.600 1.00 60.15 C ATOM 1073 C PHE A 74 16.858 4.186 -5.119 1.00 51.35 C ATOM 1074 O PHE A 74 16.642 3.240 -4.357 1.00 13.04 O ATOM 1075 CB PHE A 74 19.171 5.192 -4.804 1.00 22.42 C ATOM 1076 CG PHE A 74 19.844 4.236 -3.842 1.00 2.31 C ATOM 1077 CD1 PHE A 74 19.884 2.872 -4.097 1.00 71.01 C ATOM 1078 CD2 PHE A 74 20.447 4.710 -2.686 1.00 12.20 C ATOM 1079 CE1 PHE A 74 20.503 2.006 -3.221 1.00 4.23 C ATOM 1080 CE2 PHE A 74 21.068 3.846 -1.807 1.00 34.44 C ATOM 1081 CZ PHE A 74 21.094 2.493 -2.075 1.00 70.40 C ATOM 0 H PHE A 74 18.027 5.254 -2.538 1.00 3.03 H new ATOM 0 HA PHE A 74 17.375 6.270 -5.169 1.00 60.15 H new ATOM 0 HB2 PHE A 74 19.342 4.838 -5.820 1.00 22.42 H new ATOM 0 HB3 PHE A 74 19.655 6.165 -4.720 1.00 22.42 H new ATOM 0 HD1 PHE A 74 19.424 2.484 -4.994 1.00 71.01 H new ATOM 0 HD2 PHE A 74 20.430 5.768 -2.471 1.00 12.20 H new ATOM 0 HE1 PHE A 74 20.525 0.947 -3.432 1.00 4.23 H new ATOM 0 HE2 PHE A 74 21.533 4.229 -0.910 1.00 34.44 H new ATOM 0 HZ PHE A 74 21.577 1.815 -1.387 1.00 70.40 H new ATOM 1091 N ALA A 75 16.385 4.280 -6.376 1.00 72.24 N ATOM 1092 CA ALA A 75 15.538 3.249 -7.017 1.00 24.05 C ATOM 1093 C ALA A 75 16.115 1.832 -6.891 1.00 51.14 C ATOM 1094 O ALA A 75 17.121 1.501 -7.523 1.00 13.12 O ATOM 1095 CB ALA A 75 15.307 3.586 -8.480 1.00 13.22 C ATOM 0 H ALA A 75 16.579 5.077 -6.982 1.00 72.24 H new ATOM 0 HA ALA A 75 14.588 3.255 -6.482 1.00 24.05 H new ATOM 0 HB1 ALA A 75 14.682 2.818 -8.936 1.00 13.22 H new ATOM 0 HB2 ALA A 75 14.808 4.552 -8.556 1.00 13.22 H new ATOM 0 HB3 ALA A 75 16.265 3.630 -8.999 1.00 13.22 H new ATOM 1101 N PRO A 76 15.487 0.983 -6.045 1.00 61.55 N ATOM 1102 CA PRO A 76 16.002 -0.331 -5.702 1.00 0.11 C ATOM 1103 C PRO A 76 15.408 -1.460 -6.546 1.00 42.34 C ATOM 1104 O PRO A 76 14.710 -1.226 -7.533 1.00 22.55 O ATOM 1105 CB PRO A 76 15.575 -0.476 -4.233 1.00 61.33 C ATOM 1106 CG PRO A 76 14.466 0.512 -4.012 1.00 14.22 C ATOM 1107 CD PRO A 76 14.242 1.242 -5.312 1.00 2.04 C ATOM 0 HA PRO A 76 17.075 -0.407 -5.879 1.00 0.11 H new ATOM 0 HB2 PRO A 76 15.237 -1.491 -4.026 1.00 61.33 H new ATOM 0 HB3 PRO A 76 16.412 -0.276 -3.564 1.00 61.33 H new ATOM 0 HG2 PRO A 76 13.556 0.002 -3.697 1.00 14.22 H new ATOM 0 HG3 PRO A 76 14.729 1.213 -3.220 1.00 14.22 H new ATOM 0 HD2 PRO A 76 13.371 0.861 -5.846 1.00 2.04 H new ATOM 0 HD3 PRO A 76 14.079 2.308 -5.155 1.00 2.04 H new ATOM 1115 N LEU A 77 15.690 -2.687 -6.141 1.00 52.23 N ATOM 1116 CA LEU A 77 15.187 -3.854 -6.842 1.00 14.14 C ATOM 1117 C LEU A 77 13.772 -4.224 -6.364 1.00 24.50 C ATOM 1118 O LEU A 77 12.858 -4.384 -7.166 1.00 55.22 O ATOM 1119 CB LEU A 77 16.154 -5.065 -6.700 1.00 13.32 C ATOM 1120 CG LEU A 77 16.481 -5.557 -5.267 1.00 11.13 C ATOM 1121 CD1 LEU A 77 16.826 -7.037 -5.285 1.00 32.05 C ATOM 1122 CD2 LEU A 77 17.641 -4.771 -4.654 1.00 23.23 C ATOM 0 H LEU A 77 16.267 -2.900 -5.327 1.00 52.23 H new ATOM 0 HA LEU A 77 15.129 -3.598 -7.900 1.00 14.14 H new ATOM 0 HB2 LEU A 77 15.728 -5.902 -7.254 1.00 13.32 H new ATOM 0 HB3 LEU A 77 17.093 -4.804 -7.188 1.00 13.32 H new ATOM 0 HG LEU A 77 15.595 -5.394 -4.654 1.00 11.13 H new ATOM 0 HD11 LEU A 77 17.054 -7.370 -4.272 1.00 32.05 H new ATOM 0 HD12 LEU A 77 15.979 -7.603 -5.671 1.00 32.05 H new ATOM 0 HD13 LEU A 77 17.694 -7.201 -5.924 1.00 32.05 H new ATOM 0 HD21 LEU A 77 17.842 -5.143 -3.649 1.00 23.23 H new ATOM 0 HD22 LEU A 77 18.531 -4.894 -5.272 1.00 23.23 H new ATOM 0 HD23 LEU A 77 17.378 -3.714 -4.603 1.00 23.23 H new ATOM 1134 N SER A 78 13.586 -4.324 -5.060 1.00 15.32 N ATOM 1135 CA SER A 78 12.311 -4.749 -4.523 1.00 23.32 C ATOM 1136 C SER A 78 12.025 -4.022 -3.227 1.00 61.54 C ATOM 1137 O SER A 78 12.730 -4.207 -2.230 1.00 42.52 O ATOM 1138 CB SER A 78 12.304 -6.269 -4.302 1.00 14.15 C ATOM 1139 OG SER A 78 11.004 -6.741 -3.986 1.00 43.13 O ATOM 0 H SER A 78 14.298 -4.118 -4.359 1.00 15.32 H new ATOM 0 HA SER A 78 11.528 -4.503 -5.240 1.00 23.32 H new ATOM 0 HB2 SER A 78 12.666 -6.770 -5.200 1.00 14.15 H new ATOM 0 HB3 SER A 78 12.991 -6.524 -3.495 1.00 14.15 H new ATOM 0 HG SER A 78 11.032 -7.712 -3.853 1.00 43.13 H new ATOM 1145 N VAL A 79 11.021 -3.157 -3.264 1.00 71.32 N ATOM 1146 CA VAL A 79 10.536 -2.504 -2.054 1.00 72.22 C ATOM 1147 C VAL A 79 9.440 -3.366 -1.431 1.00 1.20 C ATOM 1148 O VAL A 79 8.360 -3.542 -2.008 1.00 44.14 O ATOM 1149 CB VAL A 79 10.018 -1.064 -2.326 1.00 73.41 C ATOM 1150 CG1 VAL A 79 9.562 -0.377 -1.040 1.00 53.12 C ATOM 1151 CG2 VAL A 79 11.097 -0.235 -3.002 1.00 74.23 C ATOM 0 H VAL A 79 10.527 -2.891 -4.116 1.00 71.32 H new ATOM 0 HA VAL A 79 11.371 -2.404 -1.360 1.00 72.22 H new ATOM 0 HB VAL A 79 9.156 -1.144 -2.988 1.00 73.41 H new ATOM 0 HG11 VAL A 79 9.207 0.627 -1.270 1.00 53.12 H new ATOM 0 HG12 VAL A 79 8.755 -0.952 -0.587 1.00 53.12 H new ATOM 0 HG13 VAL A 79 10.399 -0.315 -0.344 1.00 53.12 H new ATOM 0 HG21 VAL A 79 10.721 0.771 -3.187 1.00 74.23 H new ATOM 0 HG22 VAL A 79 11.973 -0.182 -2.356 1.00 74.23 H new ATOM 0 HG23 VAL A 79 11.372 -0.699 -3.949 1.00 74.23 H new ATOM 1161 N ARG A 80 9.749 -3.925 -0.269 1.00 71.11 N ATOM 1162 CA ARG A 80 8.872 -4.873 0.394 1.00 31.03 C ATOM 1163 C ARG A 80 7.969 -4.177 1.397 1.00 33.24 C ATOM 1164 O ARG A 80 8.381 -3.249 2.102 1.00 5.21 O ATOM 1165 CB ARG A 80 9.683 -5.969 1.087 1.00 71.05 C ATOM 1166 CG ARG A 80 10.594 -6.737 0.145 1.00 32.13 C ATOM 1167 CD ARG A 80 11.300 -7.882 0.851 1.00 73.33 C ATOM 1168 NE ARG A 80 10.392 -8.986 1.180 1.00 73.40 N ATOM 1169 CZ ARG A 80 10.773 -10.146 1.729 1.00 11.11 C ATOM 1170 NH1 ARG A 80 12.036 -10.346 2.099 1.00 65.44 N ATOM 1171 NH2 ARG A 80 9.883 -11.107 1.914 1.00 24.24 N ATOM 0 H ARG A 80 10.613 -3.733 0.238 1.00 71.11 H new ATOM 0 HA ARG A 80 8.244 -5.332 -0.370 1.00 31.03 H new ATOM 0 HB2 ARG A 80 10.286 -5.520 1.876 1.00 71.05 H new ATOM 0 HB3 ARG A 80 8.998 -6.668 1.567 1.00 71.05 H new ATOM 0 HG2 ARG A 80 10.009 -7.129 -0.687 1.00 32.13 H new ATOM 0 HG3 ARG A 80 11.335 -6.058 -0.278 1.00 32.13 H new ATOM 0 HD2 ARG A 80 12.104 -8.255 0.217 1.00 73.33 H new ATOM 0 HD3 ARG A 80 11.761 -7.511 1.766 1.00 73.33 H new ATOM 0 HE ARG A 80 9.400 -8.861 0.976 1.00 73.40 H new ATOM 0 HH11 ARG A 80 12.729 -9.610 1.966 1.00 65.44 H new ATOM 0 HH12 ARG A 80 12.311 -11.235 2.516 1.00 65.44 H new ATOM 0 HH21 ARG A 80 8.912 -10.962 1.639 1.00 24.24 H new ATOM 0 HH22 ARG A 80 10.168 -11.993 2.332 1.00 24.24 H new ATOM 1185 N PHE A 81 6.736 -4.645 1.444 1.00 74.14 N ATOM 1186 CA PHE A 81 5.719 -4.096 2.320 1.00 2.02 C ATOM 1187 C PHE A 81 5.311 -5.119 3.377 1.00 1.45 C ATOM 1188 O PHE A 81 5.601 -6.315 3.249 1.00 72.24 O ATOM 1189 CB PHE A 81 4.491 -3.628 1.498 1.00 62.40 C ATOM 1190 CG PHE A 81 4.002 -4.624 0.463 1.00 23.42 C ATOM 1191 CD1 PHE A 81 3.160 -5.670 0.813 1.00 33.43 C ATOM 1192 CD2 PHE A 81 4.391 -4.506 -0.865 1.00 62.24 C ATOM 1193 CE1 PHE A 81 2.724 -6.574 -0.131 1.00 51.52 C ATOM 1194 CE2 PHE A 81 3.954 -5.411 -1.812 1.00 52.42 C ATOM 1195 CZ PHE A 81 3.120 -6.446 -1.445 1.00 42.21 C ATOM 0 H PHE A 81 6.410 -5.423 0.871 1.00 74.14 H new ATOM 0 HA PHE A 81 6.135 -3.229 2.833 1.00 2.02 H new ATOM 0 HB2 PHE A 81 3.674 -3.408 2.185 1.00 62.40 H new ATOM 0 HB3 PHE A 81 4.743 -2.695 0.994 1.00 62.40 H new ATOM 0 HD1 PHE A 81 2.842 -5.777 1.840 1.00 33.43 H new ATOM 0 HD2 PHE A 81 5.043 -3.697 -1.160 1.00 62.24 H new ATOM 0 HE1 PHE A 81 2.071 -7.384 0.159 1.00 51.52 H new ATOM 0 HE2 PHE A 81 4.266 -5.308 -2.841 1.00 52.42 H new ATOM 0 HZ PHE A 81 2.778 -7.154 -2.185 1.00 42.21 H new ATOM 1205 N LYS A 82 4.643 -4.637 4.414 1.00 15.34 N ATOM 1206 CA LYS A 82 4.120 -5.488 5.473 1.00 24.25 C ATOM 1207 C LYS A 82 2.710 -5.032 5.826 1.00 55.23 C ATOM 1208 O LYS A 82 2.500 -3.856 6.111 1.00 64.54 O ATOM 1209 CB LYS A 82 5.021 -5.416 6.710 1.00 61.33 C ATOM 1210 CG LYS A 82 4.695 -6.457 7.766 1.00 31.21 C ATOM 1211 CD LYS A 82 5.683 -6.411 8.911 1.00 11.41 C ATOM 1212 CE LYS A 82 5.320 -7.406 10.004 1.00 45.14 C ATOM 1213 NZ LYS A 82 5.343 -8.815 9.523 1.00 14.42 N ATOM 0 H LYS A 82 4.448 -3.645 4.546 1.00 15.34 H new ATOM 0 HA LYS A 82 4.096 -6.521 5.127 1.00 24.25 H new ATOM 0 HB2 LYS A 82 6.059 -5.539 6.400 1.00 61.33 H new ATOM 0 HB3 LYS A 82 4.936 -4.424 7.153 1.00 61.33 H new ATOM 0 HG2 LYS A 82 3.687 -6.289 8.146 1.00 31.21 H new ATOM 0 HG3 LYS A 82 4.704 -7.450 7.315 1.00 31.21 H new ATOM 0 HD2 LYS A 82 6.684 -6.629 8.538 1.00 11.41 H new ATOM 0 HD3 LYS A 82 5.710 -5.405 9.329 1.00 11.41 H new ATOM 0 HE2 LYS A 82 6.017 -7.298 10.835 1.00 45.14 H new ATOM 0 HE3 LYS A 82 4.327 -7.173 10.388 1.00 45.14 H new ATOM 0 HZ1 LYS A 82 5.240 -9.460 10.332 1.00 14.42 H new ATOM 0 HZ2 LYS A 82 4.559 -8.967 8.857 1.00 14.42 H new ATOM 0 HZ3 LYS A 82 6.246 -9.003 9.043 1.00 14.42 H new ATOM 1227 N ASP A 83 1.762 -5.966 5.831 1.00 10.52 N ATOM 1228 CA ASP A 83 0.352 -5.634 6.034 1.00 54.13 C ATOM 1229 C ASP A 83 0.007 -5.601 7.522 1.00 70.23 C ATOM 1230 O ASP A 83 0.455 -6.454 8.295 1.00 41.52 O ATOM 1231 CB ASP A 83 -0.533 -6.641 5.284 1.00 44.44 C ATOM 1232 CG ASP A 83 -2.024 -6.452 5.522 1.00 62.33 C ATOM 1233 OD1 ASP A 83 -2.548 -5.363 5.241 1.00 71.42 O ATOM 1234 OD2 ASP A 83 -2.670 -7.404 5.997 1.00 14.03 O ATOM 0 H ASP A 83 1.944 -6.961 5.697 1.00 10.52 H new ATOM 0 HA ASP A 83 0.165 -4.638 5.633 1.00 54.13 H new ATOM 0 HB2 ASP A 83 -0.333 -6.560 4.216 1.00 44.44 H new ATOM 0 HB3 ASP A 83 -0.253 -7.650 5.585 1.00 44.44 H new ATOM 1239 N PHE A 84 -0.770 -4.593 7.907 1.00 52.44 N ATOM 1240 CA PHE A 84 -1.164 -4.381 9.301 1.00 13.33 C ATOM 1241 C PHE A 84 -2.636 -3.990 9.412 1.00 61.34 C ATOM 1242 O PHE A 84 -3.062 -3.465 10.452 1.00 31.11 O ATOM 1243 CB PHE A 84 -0.324 -3.269 9.939 1.00 14.12 C ATOM 1244 CG PHE A 84 1.051 -3.666 10.366 1.00 62.12 C ATOM 1245 CD1 PHE A 84 1.234 -4.439 11.498 1.00 53.15 C ATOM 1246 CD2 PHE A 84 2.159 -3.254 9.655 1.00 31.33 C ATOM 1247 CE1 PHE A 84 2.497 -4.795 11.910 1.00 4.34 C ATOM 1248 CE2 PHE A 84 3.424 -3.607 10.065 1.00 53.33 C ATOM 1249 CZ PHE A 84 3.593 -4.378 11.192 1.00 73.12 C ATOM 0 H PHE A 84 -1.146 -3.898 7.262 1.00 52.44 H new ATOM 0 HA PHE A 84 -0.999 -5.324 9.823 1.00 13.33 H new ATOM 0 HB2 PHE A 84 -0.242 -2.447 9.228 1.00 14.12 H new ATOM 0 HB3 PHE A 84 -0.859 -2.887 10.808 1.00 14.12 H new ATOM 0 HD1 PHE A 84 0.375 -4.767 12.065 1.00 53.15 H new ATOM 0 HD2 PHE A 84 2.032 -2.649 8.769 1.00 31.33 H new ATOM 0 HE1 PHE A 84 2.628 -5.400 12.795 1.00 4.34 H new ATOM 0 HE2 PHE A 84 4.285 -3.279 9.502 1.00 53.33 H new ATOM 0 HZ PHE A 84 4.586 -4.656 11.513 1.00 73.12 H new ATOM 1259 N SER A 85 -3.394 -4.222 8.334 1.00 61.32 N ATOM 1260 CA SER A 85 -4.818 -3.887 8.276 1.00 55.32 C ATOM 1261 C SER A 85 -5.631 -4.578 9.368 1.00 23.14 C ATOM 1262 O SER A 85 -5.553 -5.794 9.551 1.00 3.45 O ATOM 1263 CB SER A 85 -5.376 -4.244 6.911 1.00 31.44 C ATOM 1264 OG SER A 85 -4.701 -3.523 5.898 1.00 4.24 O ATOM 0 H SER A 85 -3.036 -4.647 7.479 1.00 61.32 H new ATOM 0 HA SER A 85 -4.903 -2.814 8.446 1.00 55.32 H new ATOM 0 HB2 SER A 85 -5.270 -5.315 6.736 1.00 31.44 H new ATOM 0 HB3 SER A 85 -6.442 -4.020 6.877 1.00 31.44 H new ATOM 0 HG SER A 85 -4.955 -3.877 5.020 1.00 4.24 H new ATOM 1270 N GLU A 86 -6.411 -3.777 10.078 1.00 51.54 N ATOM 1271 CA GLU A 86 -7.163 -4.233 11.234 1.00 45.42 C ATOM 1272 C GLU A 86 -8.650 -4.033 10.957 1.00 4.41 C ATOM 1273 O GLU A 86 -9.021 -3.064 10.292 1.00 73.44 O ATOM 1274 CB GLU A 86 -6.739 -3.432 12.469 1.00 11.44 C ATOM 1275 CG GLU A 86 -7.191 -4.025 13.799 1.00 34.41 C ATOM 1276 CD GLU A 86 -6.925 -3.097 14.958 1.00 42.13 C ATOM 1277 OE1 GLU A 86 -5.792 -3.096 15.475 1.00 14.21 O ATOM 1278 OE2 GLU A 86 -7.850 -2.371 15.362 1.00 4.43 O ATOM 0 H GLU A 86 -6.540 -2.788 9.866 1.00 51.54 H new ATOM 0 HA GLU A 86 -6.967 -5.289 11.421 1.00 45.42 H new ATOM 0 HB2 GLU A 86 -5.652 -3.348 12.475 1.00 11.44 H new ATOM 0 HB3 GLU A 86 -7.137 -2.421 12.384 1.00 11.44 H new ATOM 0 HG2 GLU A 86 -8.257 -4.248 13.752 1.00 34.41 H new ATOM 0 HG3 GLU A 86 -6.675 -4.970 13.967 1.00 34.41 H new ATOM 1285 N ASN A 87 -9.475 -4.974 11.448 1.00 71.13 N ATOM 1286 CA ASN A 87 -10.953 -4.973 11.287 1.00 4.21 C ATOM 1287 C ASN A 87 -11.354 -5.065 9.815 1.00 31.43 C ATOM 1288 O ASN A 87 -12.338 -4.473 9.380 1.00 2.14 O ATOM 1289 CB ASN A 87 -11.625 -3.742 11.937 1.00 52.12 C ATOM 1290 CG ASN A 87 -11.321 -3.616 13.412 1.00 34.44 C ATOM 1291 OD1 ASN A 87 -11.932 -4.288 14.240 1.00 72.42 O ATOM 1292 ND2 ASN A 87 -10.428 -2.705 13.754 1.00 44.53 N ATOM 0 H ASN A 87 -9.134 -5.775 11.979 1.00 71.13 H new ATOM 0 HA ASN A 87 -11.311 -5.860 11.810 1.00 4.21 H new ATOM 0 HB2 ASN A 87 -11.292 -2.840 11.424 1.00 52.12 H new ATOM 0 HB3 ASN A 87 -12.704 -3.808 11.798 1.00 52.12 H new ATOM 0 HD21 ASN A 87 -10.222 -2.537 14.739 1.00 44.53 H new ATOM 0 HD22 ASN A 87 -9.944 -2.170 13.033 1.00 44.53 H new ATOM 1299 N ALA A 88 -10.593 -5.831 9.057 1.00 50.44 N ATOM 1300 CA ALA A 88 -10.823 -5.958 7.639 1.00 72.42 C ATOM 1301 C ALA A 88 -11.337 -7.340 7.297 1.00 15.31 C ATOM 1302 O ALA A 88 -10.854 -8.344 7.828 1.00 70.03 O ATOM 1303 CB ALA A 88 -9.540 -5.667 6.887 1.00 50.44 C ATOM 0 H ALA A 88 -9.806 -6.377 9.407 1.00 50.44 H new ATOM 0 HA ALA A 88 -11.583 -5.236 7.341 1.00 72.42 H new ATOM 0 HB1 ALA A 88 -9.716 -5.764 5.816 1.00 50.44 H new ATOM 0 HB2 ALA A 88 -9.209 -4.653 7.110 1.00 50.44 H new ATOM 0 HB3 ALA A 88 -8.770 -6.375 7.193 1.00 50.44 H new ATOM 1309 N THR A 89 -12.323 -7.384 6.418 1.00 54.30 N ATOM 1310 CA THR A 89 -12.839 -8.640 5.908 1.00 60.53 C ATOM 1311 C THR A 89 -11.916 -9.142 4.798 1.00 55.01 C ATOM 1312 O THR A 89 -11.427 -10.270 4.843 1.00 43.41 O ATOM 1313 CB THR A 89 -14.276 -8.468 5.359 1.00 53.50 C ATOM 1314 OG1 THR A 89 -15.041 -7.677 6.274 1.00 31.13 O ATOM 1315 CG2 THR A 89 -14.960 -9.819 5.164 1.00 42.53 C ATOM 0 H THR A 89 -12.785 -6.556 6.041 1.00 54.30 H new ATOM 0 HA THR A 89 -12.874 -9.364 6.722 1.00 60.53 H new ATOM 0 HB THR A 89 -14.215 -7.972 4.390 1.00 53.50 H new ATOM 0 HG1 THR A 89 -15.985 -7.697 6.013 1.00 31.13 H new ATOM 0 HG21 THR A 89 -15.967 -9.664 4.778 1.00 42.53 H new ATOM 0 HG22 THR A 89 -14.388 -10.418 4.456 1.00 42.53 H new ATOM 0 HG23 THR A 89 -15.014 -10.341 6.119 1.00 42.53 H new ATOM 1323 N SER A 90 -11.653 -8.262 3.833 1.00 63.10 N ATOM 1324 CA SER A 90 -10.766 -8.554 2.718 1.00 74.35 C ATOM 1325 C SER A 90 -9.794 -7.397 2.525 1.00 61.33 C ATOM 1326 O SER A 90 -10.126 -6.245 2.830 1.00 35.32 O ATOM 1327 CB SER A 90 -11.577 -8.784 1.432 1.00 10.12 C ATOM 1328 OG SER A 90 -12.493 -9.857 1.584 1.00 14.14 O ATOM 0 H SER A 90 -12.053 -7.324 3.806 1.00 63.10 H new ATOM 0 HA SER A 90 -10.206 -9.463 2.938 1.00 74.35 H new ATOM 0 HB2 SER A 90 -12.119 -7.874 1.174 1.00 10.12 H new ATOM 0 HB3 SER A 90 -10.899 -8.996 0.605 1.00 10.12 H new ATOM 0 HG SER A 90 -12.995 -9.979 0.751 1.00 14.14 H new ATOM 1334 N ARG A 91 -8.594 -7.713 2.055 1.00 71.11 N ATOM 1335 CA ARG A 91 -7.611 -6.698 1.713 1.00 33.20 C ATOM 1336 C ARG A 91 -7.386 -6.684 0.199 1.00 13.32 C ATOM 1337 O ARG A 91 -7.481 -7.719 -0.471 1.00 24.31 O ATOM 1338 CB ARG A 91 -6.284 -6.903 2.482 1.00 42.43 C ATOM 1339 CG ARG A 91 -5.558 -8.199 2.161 1.00 54.34 C ATOM 1340 CD ARG A 91 -4.229 -8.312 2.881 1.00 60.54 C ATOM 1341 NE ARG A 91 -3.406 -9.371 2.298 1.00 40.42 N ATOM 1342 CZ ARG A 91 -2.326 -9.904 2.859 1.00 31.43 C ATOM 1343 NH1 ARG A 91 -1.937 -9.554 4.074 1.00 54.10 N ATOM 1344 NH2 ARG A 91 -1.638 -10.812 2.197 1.00 74.43 N ATOM 0 H ARG A 91 -8.279 -8.671 1.902 1.00 71.11 H new ATOM 0 HA ARG A 91 -8.000 -5.726 2.017 1.00 33.20 H new ATOM 0 HB2 ARG A 91 -5.620 -6.067 2.263 1.00 42.43 H new ATOM 0 HB3 ARG A 91 -6.491 -6.874 3.552 1.00 42.43 H new ATOM 0 HG2 ARG A 91 -6.190 -9.044 2.436 1.00 54.34 H new ATOM 0 HG3 ARG A 91 -5.392 -8.262 1.086 1.00 54.34 H new ATOM 0 HD2 ARG A 91 -3.699 -7.361 2.824 1.00 60.54 H new ATOM 0 HD3 ARG A 91 -4.400 -8.519 3.937 1.00 60.54 H new ATOM 0 HE ARG A 91 -3.684 -9.730 1.385 1.00 40.42 H new ATOM 0 HH11 ARG A 91 -2.470 -8.861 4.600 1.00 54.10 H new ATOM 0 HH12 ARG A 91 -1.104 -9.977 4.484 1.00 54.10 H new ATOM 0 HH21 ARG A 91 -1.936 -11.098 1.265 1.00 74.43 H new ATOM 0 HH22 ARG A 91 -0.807 -11.229 2.617 1.00 74.43 H new ATOM 1358 N LEU A 92 -7.121 -5.503 -0.328 1.00 31.33 N ATOM 1359 CA LEU A 92 -6.981 -5.292 -1.758 1.00 2.34 C ATOM 1360 C LEU A 92 -5.740 -4.434 -1.990 1.00 3.54 C ATOM 1361 O LEU A 92 -5.669 -3.289 -1.537 1.00 33.21 O ATOM 1362 CB LEU A 92 -8.259 -4.600 -2.283 1.00 14.12 C ATOM 1363 CG LEU A 92 -8.600 -4.751 -3.779 1.00 4.22 C ATOM 1364 CD1 LEU A 92 -10.036 -4.328 -4.018 1.00 62.45 C ATOM 1365 CD2 LEU A 92 -7.688 -3.928 -4.674 1.00 41.04 C ATOM 0 H LEU A 92 -6.996 -4.657 0.228 1.00 31.33 H new ATOM 0 HA LEU A 92 -6.861 -6.233 -2.295 1.00 2.34 H new ATOM 0 HB2 LEU A 92 -9.104 -4.978 -1.708 1.00 14.12 H new ATOM 0 HB3 LEU A 92 -8.176 -3.535 -2.065 1.00 14.12 H new ATOM 0 HG LEU A 92 -8.456 -5.801 -4.035 1.00 4.22 H new ATOM 0 HD11 LEU A 92 -10.276 -4.435 -5.076 1.00 62.45 H new ATOM 0 HD12 LEU A 92 -10.703 -4.957 -3.429 1.00 62.45 H new ATOM 0 HD13 LEU A 92 -10.163 -3.287 -3.721 1.00 62.45 H new ATOM 0 HD21 LEU A 92 -7.974 -4.073 -5.716 1.00 41.04 H new ATOM 0 HD22 LEU A 92 -7.780 -2.873 -4.416 1.00 41.04 H new ATOM 0 HD23 LEU A 92 -6.655 -4.247 -4.533 1.00 41.04 H new ATOM 1377 N TRP A 93 -4.761 -4.994 -2.678 1.00 62.35 N ATOM 1378 CA TRP A 93 -3.543 -4.265 -2.996 1.00 3.42 C ATOM 1379 C TRP A 93 -3.653 -3.603 -4.360 1.00 14.31 C ATOM 1380 O TRP A 93 -3.907 -4.267 -5.372 1.00 44.33 O ATOM 1381 CB TRP A 93 -2.328 -5.189 -2.959 1.00 33.34 C ATOM 1382 CG TRP A 93 -1.978 -5.685 -1.585 1.00 41.12 C ATOM 1383 CD1 TRP A 93 -2.287 -6.902 -1.054 1.00 41.13 C ATOM 1384 CD2 TRP A 93 -1.250 -4.980 -0.573 1.00 10.33 C ATOM 1385 NE1 TRP A 93 -1.778 -7.008 0.217 1.00 35.54 N ATOM 1386 CE2 TRP A 93 -1.144 -5.840 0.538 1.00 23.35 C ATOM 1387 CE3 TRP A 93 -0.667 -3.709 -0.500 1.00 33.43 C ATOM 1388 CZ2 TRP A 93 -0.488 -5.466 1.708 1.00 63.12 C ATOM 1389 CZ3 TRP A 93 -0.017 -3.341 0.663 1.00 71.41 C ATOM 1390 CH2 TRP A 93 0.070 -4.218 1.750 1.00 63.32 C ATOM 0 H TRP A 93 -4.784 -5.952 -3.028 1.00 62.35 H new ATOM 0 HA TRP A 93 -3.411 -3.490 -2.240 1.00 3.42 H new ATOM 0 HB2 TRP A 93 -2.516 -6.046 -3.606 1.00 33.34 H new ATOM 0 HB3 TRP A 93 -1.469 -4.660 -3.372 1.00 33.34 H new ATOM 0 HD1 TRP A 93 -2.851 -7.672 -1.560 1.00 41.13 H new ATOM 0 HE1 TRP A 93 -1.860 -7.825 0.823 1.00 35.54 H new ATOM 0 HE3 TRP A 93 -0.724 -3.029 -1.337 1.00 33.43 H new ATOM 0 HZ2 TRP A 93 -0.422 -6.137 2.552 1.00 63.12 H new ATOM 0 HZ3 TRP A 93 0.431 -2.361 0.734 1.00 71.41 H new ATOM 0 HH2 TRP A 93 0.590 -3.902 2.643 1.00 63.32 H new ATOM 1401 N MET A 94 -3.488 -2.289 -4.366 1.00 44.21 N ATOM 1402 CA MET A 94 -3.516 -1.500 -5.586 1.00 51.22 C ATOM 1403 C MET A 94 -2.121 -0.975 -5.894 1.00 32.45 C ATOM 1404 O MET A 94 -1.640 -0.043 -5.251 1.00 21.10 O ATOM 1405 CB MET A 94 -4.490 -0.325 -5.466 1.00 43.13 C ATOM 1406 CG MET A 94 -5.946 -0.719 -5.302 1.00 41.42 C ATOM 1407 SD MET A 94 -7.054 0.706 -5.275 1.00 23.53 S ATOM 1408 CE MET A 94 -6.789 1.380 -6.917 1.00 52.14 C ATOM 0 H MET A 94 -3.330 -1.739 -3.522 1.00 44.21 H new ATOM 0 HA MET A 94 -3.855 -2.145 -6.396 1.00 51.22 H new ATOM 0 HB2 MET A 94 -4.196 0.287 -4.613 1.00 43.13 H new ATOM 0 HB3 MET A 94 -4.395 0.299 -6.354 1.00 43.13 H new ATOM 0 HG2 MET A 94 -6.233 -1.382 -6.118 1.00 41.42 H new ATOM 0 HG3 MET A 94 -6.064 -1.283 -4.377 1.00 41.42 H new ATOM 0 HE1 MET A 94 -7.619 2.036 -7.179 1.00 52.14 H new ATOM 0 HE2 MET A 94 -5.859 1.948 -6.931 1.00 52.14 H new ATOM 0 HE3 MET A 94 -6.728 0.566 -7.639 1.00 52.14 H new ATOM 1418 N PHE A 95 -1.455 -1.608 -6.848 1.00 42.04 N ATOM 1419 CA PHE A 95 -0.129 -1.162 -7.280 1.00 50.44 C ATOM 1420 C PHE A 95 -0.243 -0.237 -8.489 1.00 4.33 C ATOM 1421 O PHE A 95 0.593 0.644 -8.691 1.00 24.23 O ATOM 1422 CB PHE A 95 0.763 -2.365 -7.632 1.00 13.20 C ATOM 1423 CG PHE A 95 0.892 -3.379 -6.525 1.00 54.34 C ATOM 1424 CD1 PHE A 95 1.562 -3.066 -5.353 1.00 23.32 C ATOM 1425 CD2 PHE A 95 0.333 -4.641 -6.657 1.00 45.34 C ATOM 1426 CE1 PHE A 95 1.673 -3.994 -4.336 1.00 63.13 C ATOM 1427 CE2 PHE A 95 0.440 -5.571 -5.643 1.00 64.44 C ATOM 1428 CZ PHE A 95 1.111 -5.248 -4.482 1.00 11.21 C ATOM 0 H PHE A 95 -1.805 -2.430 -7.340 1.00 42.04 H new ATOM 0 HA PHE A 95 0.327 -0.615 -6.454 1.00 50.44 H new ATOM 0 HB2 PHE A 95 0.358 -2.858 -8.516 1.00 13.20 H new ATOM 0 HB3 PHE A 95 1.756 -2.002 -7.896 1.00 13.20 H new ATOM 0 HD1 PHE A 95 2.002 -2.087 -5.234 1.00 23.32 H new ATOM 0 HD2 PHE A 95 -0.193 -4.899 -7.564 1.00 45.34 H new ATOM 0 HE1 PHE A 95 2.199 -3.740 -3.427 1.00 63.13 H new ATOM 0 HE2 PHE A 95 -0.001 -6.550 -5.758 1.00 64.44 H new ATOM 0 HZ PHE A 95 1.197 -5.975 -3.688 1.00 11.21 H new ATOM 1438 N GLY A 96 -1.302 -0.449 -9.277 1.00 13.00 N ATOM 1439 CA GLY A 96 -1.480 0.266 -10.530 1.00 22.43 C ATOM 1440 C GLY A 96 -0.929 -0.506 -11.717 1.00 1.43 C ATOM 1441 O GLY A 96 -1.064 -0.075 -12.862 1.00 2.40 O ATOM 0 H GLY A 96 -2.046 -1.113 -9.062 1.00 13.00 H new ATOM 0 HA2 GLY A 96 -2.541 0.461 -10.687 1.00 22.43 H new ATOM 0 HA3 GLY A 96 -0.984 1.234 -10.467 1.00 22.43 H new ATOM 1445 N ASP A 97 -0.341 -1.661 -11.428 1.00 64.45 N ATOM 1446 CA ASP A 97 0.342 -2.479 -12.421 1.00 23.42 C ATOM 1447 C ASP A 97 -0.332 -3.831 -12.527 1.00 22.14 C ATOM 1448 O ASP A 97 -0.238 -4.657 -11.614 1.00 13.55 O ATOM 1449 CB ASP A 97 1.822 -2.651 -12.049 1.00 62.45 C ATOM 1450 CG ASP A 97 2.590 -1.357 -12.151 1.00 65.31 C ATOM 1451 OD1 ASP A 97 2.590 -0.585 -11.174 1.00 61.22 O ATOM 1452 OD2 ASP A 97 3.194 -1.098 -13.212 1.00 23.52 O ATOM 0 H ASP A 97 -0.325 -2.059 -10.489 1.00 64.45 H new ATOM 0 HA ASP A 97 0.286 -1.978 -13.387 1.00 23.42 H new ATOM 0 HB2 ASP A 97 1.897 -3.036 -11.032 1.00 62.45 H new ATOM 0 HB3 ASP A 97 2.276 -3.393 -12.705 1.00 62.45 H new ATOM 1457 N GLY A 98 -1.042 -4.028 -13.633 1.00 63.55 N ATOM 1458 CA GLY A 98 -1.787 -5.257 -13.852 1.00 43.24 C ATOM 1459 C GLY A 98 -3.113 -5.263 -13.111 1.00 72.13 C ATOM 1460 O GLY A 98 -3.608 -4.204 -12.700 1.00 55.42 O ATOM 0 H GLY A 98 -1.116 -3.350 -14.391 1.00 63.55 H new ATOM 0 HA2 GLY A 98 -1.968 -5.385 -14.919 1.00 43.24 H new ATOM 0 HA3 GLY A 98 -1.187 -6.107 -13.527 1.00 43.24 H new ATOM 1464 N ASN A 99 -3.693 -6.451 -12.950 1.00 21.44 N ATOM 1465 CA ASN A 99 -4.940 -6.599 -12.206 1.00 3.32 C ATOM 1466 C ASN A 99 -4.676 -6.586 -10.697 1.00 43.15 C ATOM 1467 O ASN A 99 -3.646 -7.075 -10.223 1.00 35.41 O ATOM 1468 CB ASN A 99 -5.724 -7.861 -12.639 1.00 24.53 C ATOM 1469 CG ASN A 99 -5.059 -9.184 -12.271 1.00 41.22 C ATOM 1470 OD1 ASN A 99 -4.208 -9.686 -12.999 1.00 33.12 O ATOM 1471 ND2 ASN A 99 -5.484 -9.778 -11.167 1.00 65.34 N ATOM 0 H ASN A 99 -3.319 -7.323 -13.325 1.00 21.44 H new ATOM 0 HA ASN A 99 -5.571 -5.743 -12.443 1.00 3.32 H new ATOM 0 HB2 ASN A 99 -6.715 -7.830 -12.185 1.00 24.53 H new ATOM 0 HB3 ASN A 99 -5.867 -7.830 -13.719 1.00 24.53 H new ATOM 0 HD21 ASN A 99 -5.102 -10.684 -10.896 1.00 65.34 H new ATOM 0 HD22 ASN A 99 -6.193 -9.329 -10.587 1.00 65.34 H new ATOM 1478 N THR A 100 -5.603 -5.985 -9.961 1.00 3.34 N ATOM 1479 CA THR A 100 -5.512 -5.893 -8.505 1.00 1.41 C ATOM 1480 C THR A 100 -6.131 -7.129 -7.847 1.00 31.21 C ATOM 1481 O THR A 100 -6.649 -8.005 -8.548 1.00 22.53 O ATOM 1482 CB THR A 100 -6.220 -4.622 -7.985 1.00 10.34 C ATOM 1483 OG1 THR A 100 -7.582 -4.599 -8.428 1.00 32.34 O ATOM 1484 CG2 THR A 100 -5.511 -3.364 -8.460 1.00 55.02 C ATOM 0 H THR A 100 -6.437 -5.548 -10.353 1.00 3.34 H new ATOM 0 HA THR A 100 -4.455 -5.839 -8.243 1.00 1.41 H new ATOM 0 HB THR A 100 -6.190 -4.646 -6.896 1.00 10.34 H new ATOM 0 HG1 THR A 100 -8.022 -3.790 -8.092 1.00 32.34 H new ATOM 0 HG21 THR A 100 -6.032 -2.486 -8.078 1.00 55.02 H new ATOM 0 HG22 THR A 100 -4.485 -3.364 -8.093 1.00 55.02 H new ATOM 0 HG23 THR A 100 -5.507 -3.338 -9.550 1.00 55.02 H new ATOM 1602 N THR A 109 10.181 -4.212 -10.531 1.00 74.42 N ATOM 1603 CA THR A 109 11.460 -3.736 -10.042 1.00 75.14 C ATOM 1604 C THR A 109 11.670 -2.298 -10.504 1.00 30.33 C ATOM 1605 O THR A 109 11.340 -1.950 -11.640 1.00 41.23 O ATOM 1606 CB THR A 109 12.600 -4.648 -10.563 1.00 14.13 C ATOM 1607 OG1 THR A 109 12.411 -5.967 -10.050 1.00 62.22 O ATOM 1608 CG2 THR A 109 13.985 -4.149 -10.164 1.00 30.15 C ATOM 0 HA THR A 109 11.470 -3.765 -8.952 1.00 75.14 H new ATOM 0 HB THR A 109 12.554 -4.639 -11.652 1.00 14.13 H new ATOM 0 HG1 THR A 109 11.458 -6.118 -9.879 1.00 62.22 H new ATOM 0 HG21 THR A 109 14.743 -4.827 -10.556 1.00 30.15 H new ATOM 0 HG22 THR A 109 14.144 -3.151 -10.573 1.00 30.15 H new ATOM 0 HG23 THR A 109 14.059 -4.112 -9.077 1.00 30.15 H new ATOM 1616 N PHE A 110 12.191 -1.479 -9.610 1.00 74.12 N ATOM 1617 CA PHE A 110 12.322 -0.061 -9.852 1.00 41.45 C ATOM 1618 C PHE A 110 13.638 0.212 -10.572 1.00 63.45 C ATOM 1619 O PHE A 110 14.649 0.558 -9.958 1.00 61.12 O ATOM 1620 CB PHE A 110 12.210 0.716 -8.530 1.00 20.32 C ATOM 1621 CG PHE A 110 10.971 0.363 -7.744 1.00 52.31 C ATOM 1622 CD1 PHE A 110 10.976 -0.698 -6.848 1.00 2.54 C ATOM 1623 CD2 PHE A 110 9.798 1.072 -7.917 1.00 72.32 C ATOM 1624 CE1 PHE A 110 9.839 -1.040 -6.151 1.00 51.43 C ATOM 1625 CE2 PHE A 110 8.656 0.735 -7.214 1.00 22.14 C ATOM 1626 CZ PHE A 110 8.678 -0.321 -6.330 1.00 54.10 C ATOM 0 H PHE A 110 12.534 -1.781 -8.698 1.00 74.12 H new ATOM 0 HA PHE A 110 11.512 0.283 -10.495 1.00 41.45 H new ATOM 0 HB2 PHE A 110 13.091 0.514 -7.920 1.00 20.32 H new ATOM 0 HB3 PHE A 110 12.207 1.785 -8.742 1.00 20.32 H new ATOM 0 HD1 PHE A 110 11.884 -1.262 -6.696 1.00 2.54 H new ATOM 0 HD2 PHE A 110 9.773 1.900 -8.610 1.00 72.32 H new ATOM 0 HE1 PHE A 110 9.858 -1.873 -5.463 1.00 51.43 H new ATOM 0 HE2 PHE A 110 7.747 1.300 -7.358 1.00 22.14 H new ATOM 0 HZ PHE A 110 7.787 -0.584 -5.779 1.00 54.10 H new ATOM 1636 N PHE A 111 13.607 -0.017 -11.891 1.00 41.52 N ATOM 1637 CA PHE A 111 14.751 0.216 -12.772 1.00 71.24 C ATOM 1638 C PHE A 111 14.870 1.708 -13.095 1.00 63.43 C ATOM 1639 O PHE A 111 15.920 2.184 -13.529 1.00 60.44 O ATOM 1640 CB PHE A 111 14.589 -0.526 -14.116 1.00 62.15 C ATOM 1641 CG PHE A 111 14.394 -2.024 -14.048 1.00 22.33 C ATOM 1642 CD1 PHE A 111 15.458 -2.871 -13.793 1.00 12.42 C ATOM 1643 CD2 PHE A 111 13.145 -2.580 -14.286 1.00 1.13 C ATOM 1644 CE1 PHE A 111 15.278 -4.243 -13.759 1.00 40.23 C ATOM 1645 CE2 PHE A 111 12.958 -3.949 -14.249 1.00 22.32 C ATOM 1646 CZ PHE A 111 14.026 -4.781 -13.990 1.00 40.44 C ATOM 0 H PHE A 111 12.782 -0.371 -12.376 1.00 41.52 H new ATOM 0 HA PHE A 111 15.635 -0.149 -12.249 1.00 71.24 H new ATOM 0 HB2 PHE A 111 13.736 -0.096 -14.641 1.00 62.15 H new ATOM 0 HB3 PHE A 111 15.472 -0.325 -14.723 1.00 62.15 H new ATOM 0 HD1 PHE A 111 16.440 -2.457 -13.619 1.00 12.42 H new ATOM 0 HD2 PHE A 111 12.307 -1.934 -14.503 1.00 1.13 H new ATOM 0 HE1 PHE A 111 16.115 -4.893 -13.552 1.00 40.23 H new ATOM 0 HE2 PHE A 111 11.977 -4.366 -14.423 1.00 22.32 H new ATOM 0 HZ PHE A 111 13.885 -5.851 -13.968 1.00 40.44 H new ATOM 1656 N ASN A 112 13.770 2.419 -12.892 1.00 70.51 N ATOM 1657 CA ASN A 112 13.654 3.814 -13.243 1.00 52.53 C ATOM 1658 C ASN A 112 13.391 4.626 -11.977 1.00 55.12 C ATOM 1659 O ASN A 112 12.709 4.156 -11.061 1.00 64.35 O ATOM 1660 CB ASN A 112 12.524 3.972 -14.283 1.00 40.34 C ATOM 1661 CG ASN A 112 12.184 5.413 -14.610 1.00 54.43 C ATOM 1662 OD1 ASN A 112 12.845 6.051 -15.430 1.00 25.11 O ATOM 1663 ND2 ASN A 112 11.116 5.913 -14.013 1.00 42.51 N ATOM 0 H ASN A 112 12.925 2.031 -12.473 1.00 70.51 H new ATOM 0 HA ASN A 112 14.576 4.186 -13.689 1.00 52.53 H new ATOM 0 HB2 ASN A 112 12.815 3.461 -15.201 1.00 40.34 H new ATOM 0 HB3 ASN A 112 11.629 3.474 -13.910 1.00 40.34 H new ATOM 0 HD21 ASN A 112 10.810 6.863 -14.226 1.00 42.51 H new ATOM 0 HD22 ASN A 112 10.597 5.349 -13.340 1.00 42.51 H new ATOM 1670 N GLU A 113 13.973 5.810 -11.922 1.00 50.34 N ATOM 1671 CA GLU A 113 13.806 6.710 -10.796 1.00 43.13 C ATOM 1672 C GLU A 113 12.595 7.615 -10.995 1.00 60.11 C ATOM 1673 O GLU A 113 12.495 8.320 -12.002 1.00 72.11 O ATOM 1674 CB GLU A 113 15.071 7.551 -10.595 1.00 20.21 C ATOM 1675 CG GLU A 113 16.256 6.760 -10.044 1.00 12.33 C ATOM 1676 CD GLU A 113 17.081 6.026 -11.084 1.00 33.53 C ATOM 1677 OE1 GLU A 113 18.050 6.613 -11.601 1.00 3.53 O ATOM 1678 OE2 GLU A 113 16.782 4.853 -11.379 1.00 51.14 O ATOM 0 H GLU A 113 14.576 6.175 -12.659 1.00 50.34 H new ATOM 0 HA GLU A 113 13.637 6.108 -9.903 1.00 43.13 H new ATOM 0 HB2 GLU A 113 15.355 7.996 -11.548 1.00 20.21 H new ATOM 0 HB3 GLU A 113 14.846 8.372 -9.914 1.00 20.21 H new ATOM 0 HG2 GLU A 113 16.909 7.444 -9.502 1.00 12.33 H new ATOM 0 HG3 GLU A 113 15.884 6.035 -9.321 1.00 12.33 H new ATOM 1685 N GLY A 114 11.691 7.593 -10.022 1.00 53.31 N ATOM 1686 CA GLY A 114 10.482 8.399 -10.090 1.00 51.22 C ATOM 1687 C GLY A 114 9.624 8.279 -8.842 1.00 61.31 C ATOM 1688 O GLY A 114 10.104 7.845 -7.793 1.00 73.15 O ATOM 0 H GLY A 114 11.774 7.026 -9.178 1.00 53.31 H new ATOM 0 HA2 GLY A 114 10.755 9.444 -10.239 1.00 51.22 H new ATOM 0 HA3 GLY A 114 9.897 8.096 -10.958 1.00 51.22 H new ATOM 1692 N GLU A 115 8.351 8.653 -8.956 1.00 15.11 N ATOM 1693 CA GLU A 115 7.434 8.622 -7.820 1.00 13.12 C ATOM 1694 C GLU A 115 6.419 7.494 -7.984 1.00 63.11 C ATOM 1695 O GLU A 115 5.536 7.547 -8.841 1.00 15.33 O ATOM 1696 CB GLU A 115 6.717 9.963 -7.674 1.00 44.34 C ATOM 1697 CG GLU A 115 5.879 10.072 -6.407 1.00 54.43 C ATOM 1698 CD GLU A 115 5.064 11.335 -6.359 1.00 12.24 C ATOM 1699 OE1 GLU A 115 5.628 12.394 -6.036 1.00 14.44 O ATOM 1700 OE2 GLU A 115 3.856 11.275 -6.647 1.00 65.03 O ATOM 0 H GLU A 115 7.931 8.982 -9.826 1.00 15.11 H new ATOM 0 HA GLU A 115 8.014 8.439 -6.915 1.00 13.12 H new ATOM 0 HB2 GLU A 115 7.457 10.764 -7.680 1.00 44.34 H new ATOM 0 HB3 GLU A 115 6.073 10.117 -8.540 1.00 44.34 H new ATOM 0 HG2 GLU A 115 5.213 9.212 -6.341 1.00 54.43 H new ATOM 0 HG3 GLU A 115 6.535 10.034 -5.538 1.00 54.43 H new ATOM 1707 N TYR A 116 6.559 6.478 -7.157 1.00 74.32 N ATOM 1708 CA TYR A 116 5.712 5.297 -7.223 1.00 64.31 C ATOM 1709 C TYR A 116 4.800 5.284 -6.010 1.00 33.32 C ATOM 1710 O TYR A 116 5.170 5.791 -4.961 1.00 14.11 O ATOM 1711 CB TYR A 116 6.575 4.028 -7.272 1.00 21.32 C ATOM 1712 CG TYR A 116 7.477 3.965 -8.485 1.00 63.33 C ATOM 1713 CD1 TYR A 116 7.040 3.381 -9.663 1.00 34.22 C ATOM 1714 CD2 TYR A 116 8.761 4.500 -8.453 1.00 42.05 C ATOM 1715 CE1 TYR A 116 7.853 3.336 -10.779 1.00 74.20 C ATOM 1716 CE2 TYR A 116 9.578 4.458 -9.560 1.00 0.03 C ATOM 1717 CZ TYR A 116 9.122 3.875 -10.721 1.00 32.54 C ATOM 1718 OH TYR A 116 9.939 3.839 -11.824 1.00 31.45 O ATOM 0 H TYR A 116 7.262 6.444 -6.419 1.00 74.32 H new ATOM 0 HA TYR A 116 5.106 5.323 -8.129 1.00 64.31 H new ATOM 0 HB2 TYR A 116 7.186 3.977 -6.371 1.00 21.32 H new ATOM 0 HB3 TYR A 116 5.924 3.154 -7.266 1.00 21.32 H new ATOM 0 HD1 TYR A 116 6.049 2.955 -9.709 1.00 34.22 H new ATOM 0 HD2 TYR A 116 9.123 4.956 -7.544 1.00 42.05 H new ATOM 0 HE1 TYR A 116 7.497 2.881 -11.692 1.00 74.20 H new ATOM 0 HE2 TYR A 116 10.571 4.880 -9.518 1.00 0.03 H new ATOM 0 HH TYR A 116 10.872 3.949 -11.544 1.00 31.45 H new ATOM 1728 N ILE A 117 3.596 4.752 -6.152 1.00 30.45 N ATOM 1729 CA ILE A 117 2.618 4.802 -5.068 1.00 15.22 C ATOM 1730 C ILE A 117 2.023 3.411 -4.810 1.00 53.43 C ATOM 1731 O ILE A 117 1.462 2.786 -5.714 1.00 55.52 O ATOM 1732 CB ILE A 117 1.480 5.834 -5.374 1.00 44.53 C ATOM 1733 CG1 ILE A 117 2.060 7.246 -5.610 1.00 61.11 C ATOM 1734 CG2 ILE A 117 0.474 5.867 -4.232 1.00 43.34 C ATOM 1735 CD1 ILE A 117 1.047 8.284 -6.059 1.00 25.12 C ATOM 0 H ILE A 117 3.271 4.284 -6.998 1.00 30.45 H new ATOM 0 HA ILE A 117 3.138 5.131 -4.168 1.00 15.22 H new ATOM 0 HB ILE A 117 0.973 5.516 -6.285 1.00 44.53 H new ATOM 0 HG12 ILE A 117 2.527 7.590 -4.687 1.00 61.11 H new ATOM 0 HG13 ILE A 117 2.848 7.179 -6.361 1.00 61.11 H new ATOM 0 HG21 ILE A 117 -0.311 6.589 -4.459 1.00 43.34 H new ATOM 0 HG22 ILE A 117 0.033 4.878 -4.107 1.00 43.34 H new ATOM 0 HG23 ILE A 117 0.979 6.158 -3.311 1.00 43.34 H new ATOM 0 HD11 ILE A 117 1.546 9.243 -6.199 1.00 25.12 H new ATOM 0 HD12 ILE A 117 0.596 7.969 -7.000 1.00 25.12 H new ATOM 0 HD13 ILE A 117 0.271 8.387 -5.301 1.00 25.12 H new ATOM 1747 N VAL A 118 2.180 2.928 -3.579 1.00 63.54 N ATOM 1748 CA VAL A 118 1.559 1.674 -3.152 1.00 64.03 C ATOM 1749 C VAL A 118 0.296 1.993 -2.347 1.00 72.34 C ATOM 1750 O VAL A 118 0.341 2.794 -1.407 1.00 4.35 O ATOM 1751 CB VAL A 118 2.531 0.797 -2.300 1.00 22.20 C ATOM 1752 CG1 VAL A 118 1.895 -0.534 -1.901 1.00 1.33 C ATOM 1753 CG2 VAL A 118 3.837 0.545 -3.048 1.00 33.54 C ATOM 0 H VAL A 118 2.734 3.388 -2.857 1.00 63.54 H new ATOM 0 HA VAL A 118 1.305 1.098 -4.042 1.00 64.03 H new ATOM 0 HB VAL A 118 2.746 1.355 -1.389 1.00 22.20 H new ATOM 0 HG11 VAL A 118 2.604 -1.113 -1.310 1.00 1.33 H new ATOM 0 HG12 VAL A 118 0.998 -0.346 -1.310 1.00 1.33 H new ATOM 0 HG13 VAL A 118 1.628 -1.093 -2.798 1.00 1.33 H new ATOM 0 HG21 VAL A 118 4.496 -0.068 -2.433 1.00 33.54 H new ATOM 0 HG22 VAL A 118 3.626 0.026 -3.983 1.00 33.54 H new ATOM 0 HG23 VAL A 118 4.323 1.497 -3.263 1.00 33.54 H new ATOM 1763 N SER A 119 -0.824 1.397 -2.739 1.00 0.53 N ATOM 1764 CA SER A 119 -2.089 1.608 -2.055 1.00 13.21 C ATOM 1765 C SER A 119 -2.612 0.308 -1.453 1.00 40.34 C ATOM 1766 O SER A 119 -2.458 -0.771 -2.030 1.00 20.31 O ATOM 1767 CB SER A 119 -3.112 2.182 -3.034 1.00 44.13 C ATOM 1768 OG SER A 119 -2.586 3.317 -3.692 1.00 44.42 O ATOM 0 H SER A 119 -0.879 0.760 -3.533 1.00 0.53 H new ATOM 0 HA SER A 119 -1.927 2.315 -1.241 1.00 13.21 H new ATOM 0 HB2 SER A 119 -3.387 1.424 -3.768 1.00 44.13 H new ATOM 0 HB3 SER A 119 -4.022 2.454 -2.500 1.00 44.13 H new ATOM 0 HG SER A 119 -2.267 3.962 -3.027 1.00 44.42 H new ATOM 1774 N LEU A 120 -3.211 0.429 -0.285 1.00 74.01 N ATOM 1775 CA LEU A 120 -3.864 -0.681 0.384 1.00 3.31 C ATOM 1776 C LEU A 120 -5.261 -0.245 0.787 1.00 52.02 C ATOM 1777 O LEU A 120 -5.426 0.717 1.530 1.00 62.42 O ATOM 1778 CB LEU A 120 -3.037 -1.125 1.609 1.00 42.03 C ATOM 1779 CG LEU A 120 -3.618 -2.231 2.518 1.00 64.44 C ATOM 1780 CD1 LEU A 120 -4.023 -3.480 1.740 1.00 13.10 C ATOM 1781 CD2 LEU A 120 -2.597 -2.590 3.562 1.00 5.33 C ATOM 0 H LEU A 120 -3.259 1.307 0.232 1.00 74.01 H new ATOM 0 HA LEU A 120 -3.937 -1.537 -0.286 1.00 3.31 H new ATOM 0 HB2 LEU A 120 -2.066 -1.465 1.250 1.00 42.03 H new ATOM 0 HB3 LEU A 120 -2.858 -0.245 2.227 1.00 42.03 H new ATOM 0 HG LEU A 120 -4.524 -1.840 2.981 1.00 64.44 H new ATOM 0 HD11 LEU A 120 -4.424 -4.223 2.429 1.00 13.10 H new ATOM 0 HD12 LEU A 120 -4.783 -3.219 1.004 1.00 13.10 H new ATOM 0 HD13 LEU A 120 -3.151 -3.890 1.231 1.00 13.10 H new ATOM 0 HD21 LEU A 120 -2.997 -3.370 4.209 1.00 5.33 H new ATOM 0 HD22 LEU A 120 -1.691 -2.951 3.076 1.00 5.33 H new ATOM 0 HD23 LEU A 120 -2.362 -1.709 4.159 1.00 5.33 H new ATOM 1793 N ILE A 121 -6.255 -0.931 0.265 1.00 2.30 N ATOM 1794 CA ILE A 121 -7.638 -0.645 0.592 1.00 0.23 C ATOM 1795 C ILE A 121 -8.289 -1.905 1.151 1.00 10.03 C ATOM 1796 O ILE A 121 -8.158 -2.987 0.593 1.00 11.53 O ATOM 1797 CB ILE A 121 -8.440 -0.072 -0.630 1.00 72.54 C ATOM 1798 CG1 ILE A 121 -9.949 0.026 -0.299 1.00 61.42 C ATOM 1799 CG2 ILE A 121 -8.193 -0.887 -1.902 1.00 1.23 C ATOM 1800 CD1 ILE A 121 -10.823 0.555 -1.418 1.00 32.44 C ATOM 0 H ILE A 121 -6.130 -1.699 -0.395 1.00 2.30 H new ATOM 0 HA ILE A 121 -7.657 0.138 1.350 1.00 0.23 H new ATOM 0 HB ILE A 121 -8.074 0.936 -0.825 1.00 72.54 H new ATOM 0 HG12 ILE A 121 -10.308 -0.964 -0.017 1.00 61.42 H new ATOM 0 HG13 ILE A 121 -10.072 0.670 0.572 1.00 61.42 H new ATOM 0 HG21 ILE A 121 -8.765 -0.459 -2.725 1.00 1.23 H new ATOM 0 HG22 ILE A 121 -7.131 -0.865 -2.148 1.00 1.23 H new ATOM 0 HG23 ILE A 121 -8.506 -1.918 -1.740 1.00 1.23 H new ATOM 0 HD11 ILE A 121 -11.861 0.585 -1.086 1.00 32.44 H new ATOM 0 HD12 ILE A 121 -10.499 1.560 -1.688 1.00 32.44 H new ATOM 0 HD13 ILE A 121 -10.738 -0.099 -2.286 1.00 32.44 H new ATOM 1812 N VAL A 122 -8.950 -1.766 2.279 1.00 15.51 N ATOM 1813 CA VAL A 122 -9.610 -2.888 2.923 1.00 74.23 C ATOM 1814 C VAL A 122 -11.090 -2.589 3.083 1.00 45.03 C ATOM 1815 O VAL A 122 -11.484 -1.429 3.117 1.00 24.00 O ATOM 1816 CB VAL A 122 -8.970 -3.243 4.289 1.00 64.31 C ATOM 1817 CG1 VAL A 122 -7.582 -3.817 4.091 1.00 65.23 C ATOM 1818 CG2 VAL A 122 -8.897 -2.041 5.218 1.00 40.15 C ATOM 0 H VAL A 122 -9.047 -0.880 2.775 1.00 15.51 H new ATOM 0 HA VAL A 122 -9.484 -3.761 2.282 1.00 74.23 H new ATOM 0 HB VAL A 122 -9.612 -3.989 4.757 1.00 64.31 H new ATOM 0 HG11 VAL A 122 -7.147 -4.061 5.060 1.00 65.23 H new ATOM 0 HG12 VAL A 122 -7.645 -4.720 3.484 1.00 65.23 H new ATOM 0 HG13 VAL A 122 -6.954 -3.084 3.586 1.00 65.23 H new ATOM 0 HG21 VAL A 122 -8.441 -2.338 6.163 1.00 40.15 H new ATOM 0 HG22 VAL A 122 -8.295 -1.259 4.755 1.00 40.15 H new ATOM 0 HG23 VAL A 122 -9.902 -1.663 5.403 1.00 40.15 H new ATOM 1828 N SER A 123 -11.907 -3.624 3.179 1.00 74.14 N ATOM 1829 CA SER A 123 -13.350 -3.443 3.191 1.00 34.15 C ATOM 1830 C SER A 123 -13.988 -4.209 4.338 1.00 32.44 C ATOM 1831 O SER A 123 -13.432 -5.197 4.818 1.00 25.10 O ATOM 1832 CB SER A 123 -13.954 -3.899 1.858 1.00 72.12 C ATOM 1833 OG SER A 123 -13.327 -3.257 0.758 1.00 50.10 O ATOM 0 H SER A 123 -11.599 -4.594 3.249 1.00 74.14 H new ATOM 0 HA SER A 123 -13.554 -2.382 3.332 1.00 34.15 H new ATOM 0 HB2 SER A 123 -13.848 -4.979 1.759 1.00 72.12 H new ATOM 0 HB3 SER A 123 -15.022 -3.682 1.848 1.00 72.12 H new ATOM 0 HG SER A 123 -13.733 -3.569 -0.078 1.00 50.10 H new ATOM 1839 N ASN A 124 -15.145 -3.725 4.776 1.00 14.41 N ATOM 1840 CA ASN A 124 -15.964 -4.397 5.781 1.00 72.41 C ATOM 1841 C ASN A 124 -17.435 -4.227 5.362 1.00 63.15 C ATOM 1842 O ASN A 124 -17.708 -3.811 4.235 1.00 21.10 O ATOM 1843 CB ASN A 124 -15.706 -3.785 7.181 1.00 4.13 C ATOM 1844 CG ASN A 124 -15.908 -4.748 8.356 1.00 5.14 C ATOM 1845 OD1 ASN A 124 -16.659 -5.719 8.275 1.00 51.41 O ATOM 1846 ND2 ASN A 124 -15.258 -4.459 9.471 1.00 33.44 N ATOM 0 H ASN A 124 -15.545 -2.848 4.442 1.00 14.41 H new ATOM 0 HA ASN A 124 -15.713 -5.456 5.844 1.00 72.41 H new ATOM 0 HB2 ASN A 124 -14.684 -3.406 7.213 1.00 4.13 H new ATOM 0 HB3 ASN A 124 -16.368 -2.929 7.314 1.00 4.13 H new ATOM 0 HD21 ASN A 124 -15.372 -5.049 10.295 1.00 33.44 H new ATOM 0 HD22 ASN A 124 -14.642 -3.647 9.506 1.00 33.44 H new ATOM 1853 N GLU A 125 -18.365 -4.527 6.269 1.00 44.11 N ATOM 1854 CA GLU A 125 -19.806 -4.372 6.032 1.00 72.22 C ATOM 1855 C GLU A 125 -20.229 -2.899 6.142 1.00 71.33 C ATOM 1856 O GLU A 125 -21.275 -2.502 5.627 1.00 23.43 O ATOM 1857 CB GLU A 125 -20.588 -5.207 7.062 1.00 32.32 C ATOM 1858 CG GLU A 125 -20.250 -4.871 8.515 1.00 72.21 C ATOM 1859 CD GLU A 125 -21.088 -5.628 9.514 1.00 75.21 C ATOM 1860 OE1 GLU A 125 -22.305 -5.378 9.586 1.00 12.14 O ATOM 1861 OE2 GLU A 125 -20.530 -6.452 10.254 1.00 12.11 O ATOM 0 H GLU A 125 -18.141 -4.887 7.197 1.00 44.11 H new ATOM 0 HA GLU A 125 -20.027 -4.720 5.023 1.00 72.22 H new ATOM 0 HB2 GLU A 125 -21.656 -5.056 6.903 1.00 32.32 H new ATOM 0 HB3 GLU A 125 -20.386 -6.264 6.887 1.00 32.32 H new ATOM 0 HG2 GLU A 125 -19.197 -5.089 8.695 1.00 72.21 H new ATOM 0 HG3 GLU A 125 -20.386 -3.801 8.674 1.00 72.21 H new ATOM 1868 N ASN A 126 -19.391 -2.111 6.810 1.00 1.14 N ATOM 1869 CA ASN A 126 -19.719 -0.736 7.160 1.00 64.03 C ATOM 1870 C ASN A 126 -19.185 0.236 6.125 1.00 32.34 C ATOM 1871 O ASN A 126 -19.944 1.034 5.570 1.00 45.53 O ATOM 1872 CB ASN A 126 -19.137 -0.404 8.534 1.00 74.33 C ATOM 1873 CG ASN A 126 -19.754 -1.246 9.632 1.00 31.53 C ATOM 1874 OD1 ASN A 126 -20.958 -1.498 9.639 1.00 62.33 O ATOM 1875 ND2 ASN A 126 -18.936 -1.714 10.551 1.00 23.51 N ATOM 0 H ASN A 126 -18.467 -2.409 7.123 1.00 1.14 H new ATOM 0 HA ASN A 126 -20.804 -0.638 7.187 1.00 64.03 H new ATOM 0 HB2 ASN A 126 -18.059 -0.563 8.519 1.00 74.33 H new ATOM 0 HB3 ASN A 126 -19.301 0.651 8.751 1.00 74.33 H new ATOM 0 HD21 ASN A 126 -19.295 -2.306 11.300 1.00 23.51 H new ATOM 0 HD22 ASN A 126 -17.943 -1.485 10.514 1.00 23.51 H new ATOM 1882 N ASP A 127 -17.884 0.148 5.865 1.00 53.03 N ATOM 1883 CA ASP A 127 -17.199 1.075 4.974 1.00 12.23 C ATOM 1884 C ASP A 127 -15.905 0.428 4.477 1.00 23.05 C ATOM 1885 O ASP A 127 -15.514 -0.638 4.965 1.00 2.35 O ATOM 1886 CB ASP A 127 -16.915 2.401 5.724 1.00 2.21 C ATOM 1887 CG ASP A 127 -16.620 3.574 4.805 1.00 65.23 C ATOM 1888 OD1 ASP A 127 -17.073 3.567 3.645 1.00 73.11 O ATOM 1889 OD2 ASP A 127 -15.920 4.501 5.243 1.00 33.34 O ATOM 0 H ASP A 127 -17.277 -0.567 6.266 1.00 53.03 H new ATOM 0 HA ASP A 127 -17.825 1.303 4.111 1.00 12.23 H new ATOM 0 HB2 ASP A 127 -17.775 2.647 6.347 1.00 2.21 H new ATOM 0 HB3 ASP A 127 -16.068 2.254 6.394 1.00 2.21 H new ATOM 1894 N SER A 128 -15.275 1.044 3.488 1.00 13.44 N ATOM 1895 CA SER A 128 -13.966 0.633 3.016 1.00 22.53 C ATOM 1896 C SER A 128 -12.954 1.730 3.348 1.00 30.52 C ATOM 1897 O SER A 128 -13.206 2.910 3.101 1.00 5.53 O ATOM 1898 CB SER A 128 -13.999 0.359 1.506 1.00 43.43 C ATOM 1899 OG SER A 128 -14.995 -0.598 1.183 1.00 24.14 O ATOM 0 H SER A 128 -15.661 1.846 2.990 1.00 13.44 H new ATOM 0 HA SER A 128 -13.672 -0.292 3.512 1.00 22.53 H new ATOM 0 HB2 SER A 128 -14.194 1.287 0.969 1.00 43.43 H new ATOM 0 HB3 SER A 128 -13.024 -0.001 1.177 1.00 43.43 H new ATOM 0 HG SER A 128 -14.569 -1.453 0.967 1.00 24.14 H new ATOM 1905 N ASP A 129 -11.818 1.340 3.913 1.00 52.03 N ATOM 1906 CA ASP A 129 -10.818 2.287 4.369 1.00 54.02 C ATOM 1907 C ASP A 129 -9.557 2.084 3.561 1.00 1.13 C ATOM 1908 O ASP A 129 -9.123 0.954 3.367 1.00 64.42 O ATOM 1909 CB ASP A 129 -10.531 2.094 5.860 1.00 30.24 C ATOM 1910 CG ASP A 129 -9.613 3.163 6.419 1.00 20.34 C ATOM 1911 OD1 ASP A 129 -10.072 4.305 6.609 1.00 14.42 O ATOM 1912 OD2 ASP A 129 -8.432 2.871 6.653 1.00 73.13 O ATOM 0 H ASP A 129 -11.568 0.363 4.066 1.00 52.03 H new ATOM 0 HA ASP A 129 -11.188 3.303 4.230 1.00 54.02 H new ATOM 0 HB2 ASP A 129 -11.471 2.103 6.411 1.00 30.24 H new ATOM 0 HB3 ASP A 129 -10.079 1.114 6.016 1.00 30.24 H new ATOM 1917 N SER A 130 -8.993 3.166 3.056 1.00 42.52 N ATOM 1918 CA SER A 130 -7.827 3.079 2.209 1.00 10.02 C ATOM 1919 C SER A 130 -6.687 3.924 2.775 1.00 33.34 C ATOM 1920 O SER A 130 -6.902 5.034 3.272 1.00 4.30 O ATOM 1921 CB SER A 130 -8.181 3.562 0.800 1.00 22.12 C ATOM 1922 OG SER A 130 -9.523 3.247 0.461 1.00 63.33 O ATOM 0 H SER A 130 -9.328 4.115 3.221 1.00 42.52 H new ATOM 0 HA SER A 130 -7.500 2.040 2.168 1.00 10.02 H new ATOM 0 HB2 SER A 130 -8.033 4.640 0.736 1.00 22.12 H new ATOM 0 HB3 SER A 130 -7.506 3.104 0.077 1.00 22.12 H new ATOM 0 HG SER A 130 -9.717 3.571 -0.444 1.00 63.33 H new ATOM 1928 N ALA A 131 -5.482 3.374 2.707 1.00 71.15 N ATOM 1929 CA ALA A 131 -4.257 4.082 3.048 1.00 2.43 C ATOM 1930 C ALA A 131 -3.288 3.969 1.888 1.00 64.13 C ATOM 1931 O ALA A 131 -3.285 2.960 1.178 1.00 12.01 O ATOM 1932 CB ALA A 131 -3.628 3.513 4.309 1.00 71.33 C ATOM 0 H ALA A 131 -5.327 2.411 2.409 1.00 71.15 H new ATOM 0 HA ALA A 131 -4.494 5.129 3.238 1.00 2.43 H new ATOM 0 HB1 ALA A 131 -2.715 4.061 4.539 1.00 71.33 H new ATOM 0 HB2 ALA A 131 -4.328 3.608 5.139 1.00 71.33 H new ATOM 0 HB3 ALA A 131 -3.390 2.461 4.154 1.00 71.33 H new ATOM 1938 N SER A 132 -2.475 4.989 1.686 1.00 33.41 N ATOM 1939 CA SER A 132 -1.558 5.012 0.563 1.00 63.25 C ATOM 1940 C SER A 132 -0.302 5.788 0.949 1.00 11.13 C ATOM 1941 O SER A 132 -0.390 6.805 1.641 1.00 41.33 O ATOM 1942 CB SER A 132 -2.256 5.657 -0.642 1.00 50.24 C ATOM 1943 OG SER A 132 -1.535 5.449 -1.830 1.00 22.35 O ATOM 0 H SER A 132 -2.431 5.813 2.286 1.00 33.41 H new ATOM 0 HA SER A 132 -1.264 3.997 0.294 1.00 63.25 H new ATOM 0 HB2 SER A 132 -3.259 5.243 -0.747 1.00 50.24 H new ATOM 0 HB3 SER A 132 -2.370 6.727 -0.467 1.00 50.24 H new ATOM 0 HG SER A 132 -0.951 4.669 -1.726 1.00 22.35 H new ATOM 1949 N VAL A 133 0.866 5.305 0.520 1.00 41.22 N ATOM 1950 CA VAL A 133 2.130 5.970 0.839 1.00 73.54 C ATOM 1951 C VAL A 133 2.883 6.336 -0.436 1.00 4.52 C ATOM 1952 O VAL A 133 2.659 5.748 -1.502 1.00 50.12 O ATOM 1953 CB VAL A 133 3.067 5.133 1.768 1.00 62.54 C ATOM 1954 CG1 VAL A 133 2.412 4.859 3.115 1.00 64.32 C ATOM 1955 CG2 VAL A 133 3.505 3.827 1.112 1.00 33.33 C ATOM 0 H VAL A 133 0.962 4.462 -0.045 1.00 41.22 H new ATOM 0 HA VAL A 133 1.855 6.869 1.390 1.00 73.54 H new ATOM 0 HB VAL A 133 3.960 5.735 1.936 1.00 62.54 H new ATOM 0 HG11 VAL A 133 3.090 4.275 3.737 1.00 64.32 H new ATOM 0 HG12 VAL A 133 2.189 5.804 3.610 1.00 64.32 H new ATOM 0 HG13 VAL A 133 1.488 4.302 2.963 1.00 64.32 H new ATOM 0 HG21 VAL A 133 4.155 3.278 1.793 1.00 33.33 H new ATOM 0 HG22 VAL A 133 2.627 3.223 0.882 1.00 33.33 H new ATOM 0 HG23 VAL A 133 4.046 4.046 0.192 1.00 33.33 H new ATOM 1965 N THR A 134 3.763 7.313 -0.314 1.00 74.31 N ATOM 1966 CA THR A 134 4.579 7.755 -1.422 1.00 45.42 C ATOM 1967 C THR A 134 5.953 7.089 -1.359 1.00 10.34 C ATOM 1968 O THR A 134 6.692 7.241 -0.381 1.00 31.03 O ATOM 1969 CB THR A 134 4.738 9.286 -1.395 1.00 53.35 C ATOM 1970 OG1 THR A 134 3.464 9.910 -1.170 1.00 33.55 O ATOM 1971 CG2 THR A 134 5.327 9.805 -2.699 1.00 33.55 C ATOM 0 H THR A 134 3.929 7.819 0.556 1.00 74.31 H new ATOM 0 HA THR A 134 4.086 7.470 -2.351 1.00 45.42 H new ATOM 0 HB THR A 134 5.421 9.534 -0.583 1.00 53.35 H new ATOM 0 HG1 THR A 134 3.575 10.884 -1.153 1.00 33.55 H new ATOM 0 HG21 THR A 134 5.426 10.889 -2.647 1.00 33.55 H new ATOM 0 HG22 THR A 134 6.308 9.358 -2.858 1.00 33.55 H new ATOM 0 HG23 THR A 134 4.669 9.540 -3.526 1.00 33.55 H new ATOM 1979 N ILE A 135 6.262 6.329 -2.399 1.00 50.51 N ATOM 1980 CA ILE A 135 7.560 5.687 -2.549 1.00 64.20 C ATOM 1981 C ILE A 135 8.414 6.573 -3.446 1.00 43.10 C ATOM 1982 O ILE A 135 8.176 6.679 -4.651 1.00 12.35 O ATOM 1983 CB ILE A 135 7.450 4.259 -3.174 1.00 5.14 C ATOM 1984 CG1 ILE A 135 6.390 3.404 -2.447 1.00 52.23 C ATOM 1985 CG2 ILE A 135 8.807 3.549 -3.174 1.00 2.01 C ATOM 1986 CD1 ILE A 135 6.624 3.224 -0.958 1.00 25.04 C ATOM 0 H ILE A 135 5.617 6.139 -3.166 1.00 50.51 H new ATOM 0 HA ILE A 135 8.007 5.566 -1.562 1.00 64.20 H new ATOM 0 HB ILE A 135 7.130 4.382 -4.209 1.00 5.14 H new ATOM 0 HG12 ILE A 135 5.412 3.863 -2.593 1.00 52.23 H new ATOM 0 HG13 ILE A 135 6.354 2.421 -2.916 1.00 52.23 H new ATOM 0 HG21 ILE A 135 8.699 2.558 -3.615 1.00 2.01 H new ATOM 0 HG22 ILE A 135 9.521 4.130 -3.757 1.00 2.01 H new ATOM 0 HG23 ILE A 135 9.168 3.453 -2.150 1.00 2.01 H new ATOM 0 HD11 ILE A 135 5.828 2.610 -0.536 1.00 25.04 H new ATOM 0 HD12 ILE A 135 7.584 2.734 -0.797 1.00 25.04 H new ATOM 0 HD13 ILE A 135 6.628 4.199 -0.470 1.00 25.04 H new ATOM 1998 N ARG A 136 9.387 7.220 -2.848 1.00 52.31 N ATOM 1999 CA ARG A 136 10.185 8.205 -3.542 1.00 43.15 C ATOM 2000 C ARG A 136 11.504 7.592 -3.968 1.00 40.44 C ATOM 2001 O ARG A 136 12.354 7.294 -3.132 1.00 53.42 O ATOM 2002 CB ARG A 136 10.425 9.409 -2.632 1.00 14.44 C ATOM 2003 CG ARG A 136 9.146 10.114 -2.219 1.00 3.11 C ATOM 2004 CD ARG A 136 9.371 11.090 -1.077 1.00 34.20 C ATOM 2005 NE ARG A 136 10.408 12.083 -1.369 1.00 23.33 N ATOM 2006 CZ ARG A 136 10.210 13.406 -1.414 1.00 70.51 C ATOM 2007 NH1 ARG A 136 8.994 13.925 -1.250 1.00 42.33 N ATOM 2008 NH2 ARG A 136 11.247 14.204 -1.621 1.00 31.20 N ATOM 0 H ARG A 136 9.647 7.080 -1.872 1.00 52.31 H new ATOM 0 HA ARG A 136 9.653 8.539 -4.432 1.00 43.15 H new ATOM 0 HB2 ARG A 136 10.955 9.080 -1.738 1.00 14.44 H new ATOM 0 HB3 ARG A 136 11.074 10.119 -3.144 1.00 14.44 H new ATOM 0 HG2 ARG A 136 8.735 10.648 -3.076 1.00 3.11 H new ATOM 0 HG3 ARG A 136 8.405 9.373 -1.920 1.00 3.11 H new ATOM 0 HD2 ARG A 136 8.436 11.604 -0.856 1.00 34.20 H new ATOM 0 HD3 ARG A 136 9.649 10.535 -0.181 1.00 34.20 H new ATOM 0 HE ARG A 136 11.351 11.741 -1.552 1.00 23.33 H new ATOM 0 HH11 ARG A 136 8.195 13.312 -1.087 1.00 42.33 H new ATOM 0 HH12 ARG A 136 8.862 14.936 -1.287 1.00 42.33 H new ATOM 0 HH21 ARG A 136 12.179 13.808 -1.743 1.00 31.20 H new ATOM 0 HH22 ARG A 136 11.113 15.215 -1.658 1.00 31.20 H new ATOM 2022 N ALA A 137 11.668 7.391 -5.262 1.00 62.12 N ATOM 2023 CA ALA A 137 12.889 6.815 -5.780 1.00 24.44 C ATOM 2024 C ALA A 137 13.688 7.889 -6.499 1.00 34.50 C ATOM 2025 O ALA A 137 13.296 8.366 -7.563 1.00 50.30 O ATOM 2026 CB ALA A 137 12.577 5.643 -6.702 1.00 64.15 C ATOM 0 H ALA A 137 10.971 7.619 -5.971 1.00 62.12 H new ATOM 0 HA ALA A 137 13.489 6.430 -4.955 1.00 24.44 H new ATOM 0 HB1 ALA A 137 13.507 5.222 -7.083 1.00 64.15 H new ATOM 0 HB2 ALA A 137 12.033 4.879 -6.147 1.00 64.15 H new ATOM 0 HB3 ALA A 137 11.967 5.989 -7.537 1.00 64.15 H new ATOM 2032 N LEU A 138 14.796 8.281 -5.898 1.00 21.45 N ATOM 2033 CA LEU A 138 15.664 9.288 -6.469 1.00 71.23 C ATOM 2034 C LEU A 138 16.845 8.647 -7.150 1.00 20.02 C ATOM 2035 O LEU A 138 17.080 7.441 -7.008 1.00 25.41 O ATOM 2036 CB LEU A 138 16.119 10.313 -5.428 1.00 60.43 C ATOM 2037 CG LEU A 138 16.551 9.800 -4.056 1.00 23.23 C ATOM 2038 CD1 LEU A 138 17.964 9.225 -4.044 1.00 51.35 C ATOM 2039 CD2 LEU A 138 16.435 10.943 -3.114 1.00 64.24 C ATOM 0 H LEU A 138 15.117 7.910 -5.003 1.00 21.45 H new ATOM 0 HA LEU A 138 15.086 9.830 -7.217 1.00 71.23 H new ATOM 0 HB2 LEU A 138 16.953 10.872 -5.853 1.00 60.43 H new ATOM 0 HB3 LEU A 138 15.304 11.021 -5.278 1.00 60.43 H new ATOM 0 HG LEU A 138 15.907 8.970 -3.764 1.00 23.23 H new ATOM 0 HD11 LEU A 138 18.207 8.879 -3.039 1.00 51.35 H new ATOM 0 HD12 LEU A 138 18.022 8.388 -4.740 1.00 51.35 H new ATOM 0 HD13 LEU A 138 18.673 9.996 -4.344 1.00 51.35 H new ATOM 0 HD21 LEU A 138 16.734 10.624 -2.116 1.00 64.24 H new ATOM 0 HD22 LEU A 138 17.083 11.754 -3.445 1.00 64.24 H new ATOM 0 HD23 LEU A 138 15.402 11.291 -3.089 1.00 64.24 H new