USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 914 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 100 LYS NZ :NH3+ -144:sc= 1.29 (180deg=0.319) USER MOD Set 1.2: A 101 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 21 ASN : amide:sc= 1.07 K(o=1.3,f=-3.3!) USER MOD Set 2.2: A 76 THR OG1 : rot 180:sc= 0.202 USER MOD Single : A 8 SER OG : rot 180:sc= 0.00879 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 86:sc= 0.0917 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN :FLIP amide:sc= -0.595 F(o=-1.5!,f=-0.6) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.211 K(o=0.21,f=-2.2!) USER MOD Single : A 42 LYS NZ :NH3+ 168:sc=-0.00192 (180deg=-0.0922) USER MOD Single : A 46 LYS NZ :NH3+ 169:sc= 1.18 (180deg=1.07) USER MOD Single : A 47 LYS NZ :NH3+ 164:sc= -0.0246 (180deg=-0.247) USER MOD Single : A 50 SER OG : rot 156:sc= 1.85 USER MOD Single : A 51 THR OG1 : rot -13:sc= 1.08 USER MOD Single : A 53 TYR OH : rot 180:sc= -1.49 USER MOD Single : A 54 ASN : amide:sc= 0.711 K(o=0.71,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 170:sc= -0.0046 (180deg=-0.113) USER MOD Single : A 63 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.168) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0.868 K(o=0.87,f=-0.58) USER MOD Single : A 75 THR OG1 : rot -61:sc= 1.16 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.332 X(o=-0.33,f=-0.33) USER MOD Single : A 87 SER OG : rot -131:sc= 1.31 USER MOD Single : A 97 ASN : amide:sc= 0.923 K(o=0.92,f=-0.026) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0429) USER MOD Single : A 117 ASN : amide:sc= -0.695 X(o=-0.69,f=-0.96) USER MOD Single : A 118 SER OG : rot -41:sc= 0.237 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -2.253 8.514 -9.217 1.00 0.00 N ATOM 60 CA GLY A 7 -1.639 9.782 -8.873 1.00 0.00 C ATOM 61 C GLY A 7 -0.169 9.597 -8.500 1.00 0.00 C ATOM 62 O GLY A 7 0.306 8.475 -8.266 1.00 0.00 O ATOM 0 HA2 GLY A 7 -1.720 10.469 -9.715 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.175 10.235 -8.039 1.00 0.00 H new ATOM 66 N SER A 8 0.544 10.722 -8.417 1.00 0.00 N ATOM 67 CA SER A 8 1.935 10.780 -7.989 1.00 0.00 C ATOM 68 C SER A 8 2.092 10.167 -6.592 1.00 0.00 C ATOM 69 O SER A 8 1.156 10.172 -5.796 1.00 0.00 O ATOM 70 CB SER A 8 2.398 12.237 -7.961 1.00 0.00 C ATOM 71 OG SER A 8 2.029 12.944 -9.129 1.00 0.00 O ATOM 0 H SER A 8 0.158 11.636 -8.652 1.00 0.00 H new ATOM 0 HA SER A 8 2.544 10.212 -8.692 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.972 12.734 -7.089 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.482 12.269 -7.848 1.00 0.00 H new ATOM 0 HG SER A 8 2.345 13.870 -9.065 1.00 0.00 H new ATOM 77 N ALA A 9 3.281 9.694 -6.243 1.00 0.00 N ATOM 78 CA ALA A 9 3.495 8.957 -5.007 1.00 0.00 C ATOM 79 C ALA A 9 3.115 9.756 -3.754 1.00 0.00 C ATOM 80 O ALA A 9 2.347 9.258 -2.923 1.00 0.00 O ATOM 81 CB ALA A 9 4.940 8.479 -4.971 1.00 0.00 C ATOM 0 H ALA A 9 4.122 9.811 -6.808 1.00 0.00 H new ATOM 0 HA ALA A 9 2.826 8.096 -4.996 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.117 7.924 -4.050 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.130 7.831 -5.827 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.609 9.339 -5.011 1.00 0.00 H new ATOM 87 N LYS A 10 3.589 11.000 -3.605 1.00 0.00 N ATOM 88 CA LYS A 10 3.190 11.818 -2.457 1.00 0.00 C ATOM 89 C LYS A 10 1.709 12.169 -2.485 1.00 0.00 C ATOM 90 O LYS A 10 1.171 12.395 -1.410 1.00 0.00 O ATOM 91 CB LYS A 10 4.035 13.101 -2.312 1.00 0.00 C ATOM 92 CG LYS A 10 4.806 13.060 -0.988 1.00 0.00 C ATOM 93 CD LYS A 10 5.305 14.398 -0.440 1.00 0.00 C ATOM 94 CE LYS A 10 4.133 15.226 0.103 1.00 0.00 C ATOM 95 NZ LYS A 10 4.561 16.223 1.105 1.00 0.00 N ATOM 0 H LYS A 10 4.236 11.453 -4.251 1.00 0.00 H new ATOM 0 HA LYS A 10 3.379 11.196 -1.582 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.730 13.187 -3.147 1.00 0.00 H new ATOM 0 HB3 LYS A 10 3.390 13.979 -2.342 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.164 12.602 -0.235 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.666 12.403 -1.116 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.033 14.225 0.352 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.816 14.952 -1.227 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.639 15.736 -0.724 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.397 14.558 0.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.733 16.756 1.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.009 15.738 1.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.243 16.879 0.673 1.00 0.00 H new ATOM 109 N ASN A 11 1.030 12.166 -3.637 1.00 0.00 N ATOM 110 CA ASN A 11 -0.417 12.401 -3.705 1.00 0.00 C ATOM 111 C ASN A 11 -1.136 11.477 -2.726 1.00 0.00 C ATOM 112 O ASN A 11 -1.922 11.946 -1.903 1.00 0.00 O ATOM 113 CB ASN A 11 -0.967 12.222 -5.130 1.00 0.00 C ATOM 114 CG ASN A 11 -2.417 12.663 -5.249 1.00 0.00 C ATOM 115 OD1 ASN A 11 -2.693 13.842 -5.468 1.00 0.00 O ATOM 116 ND2 ASN A 11 -3.362 11.748 -5.117 1.00 0.00 N ATOM 0 H ASN A 11 1.465 12.001 -4.545 1.00 0.00 H new ATOM 0 HA ASN A 11 -0.602 13.438 -3.424 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -0.357 12.796 -5.827 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -0.883 11.175 -5.420 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -4.344 12.014 -5.196 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -3.109 10.777 -4.936 1.00 0.00 H new ATOM 123 N ALA A 12 -0.828 10.180 -2.787 1.00 0.00 N ATOM 124 CA ALA A 12 -1.392 9.170 -1.907 1.00 0.00 C ATOM 125 C ALA A 12 -0.963 9.391 -0.447 1.00 0.00 C ATOM 126 O ALA A 12 -1.826 9.498 0.428 1.00 0.00 O ATOM 127 CB ALA A 12 -0.994 7.789 -2.430 1.00 0.00 C ATOM 0 H ALA A 12 -0.166 9.801 -3.464 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.479 9.245 -1.909 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.410 7.020 -1.779 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.380 7.657 -3.441 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.093 7.704 -2.443 1.00 0.00 H new ATOM 133 N TYR A 13 0.346 9.507 -0.168 1.00 0.00 N ATOM 134 CA TYR A 13 0.859 9.682 1.201 1.00 0.00 C ATOM 135 C TYR A 13 0.258 10.918 1.869 1.00 0.00 C ATOM 136 O TYR A 13 -0.112 10.870 3.042 1.00 0.00 O ATOM 137 CB TYR A 13 2.382 9.839 1.186 1.00 0.00 C ATOM 138 CG TYR A 13 2.992 10.198 2.536 1.00 0.00 C ATOM 139 CD1 TYR A 13 3.073 9.242 3.568 1.00 0.00 C ATOM 140 CD2 TYR A 13 3.500 11.494 2.755 1.00 0.00 C ATOM 141 CE1 TYR A 13 3.723 9.549 4.778 1.00 0.00 C ATOM 142 CE2 TYR A 13 4.149 11.809 3.962 1.00 0.00 C ATOM 143 CZ TYR A 13 4.251 10.840 4.982 1.00 0.00 C ATOM 144 OH TYR A 13 4.826 11.154 6.175 1.00 0.00 O ATOM 0 H TYR A 13 1.075 9.482 -0.881 1.00 0.00 H new ATOM 0 HA TYR A 13 0.575 8.793 1.765 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.827 8.908 0.836 1.00 0.00 H new ATOM 0 HB3 TYR A 13 2.648 10.611 0.464 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.633 8.266 3.429 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.390 12.250 1.991 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.817 8.798 5.548 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.569 12.793 4.108 1.00 0.00 H new ATOM 0 HH TYR A 13 5.141 12.082 6.152 1.00 0.00 H new ATOM 154 N THR A 14 0.137 12.026 1.143 1.00 0.00 N ATOM 155 CA THR A 14 -0.422 13.252 1.665 1.00 0.00 C ATOM 156 C THR A 14 -1.824 13.018 2.231 1.00 0.00 C ATOM 157 O THR A 14 -2.133 13.548 3.295 1.00 0.00 O ATOM 158 CB THR A 14 -0.357 14.336 0.583 1.00 0.00 C ATOM 159 OG1 THR A 14 1.008 14.684 0.416 1.00 0.00 O ATOM 160 CG2 THR A 14 -1.132 15.615 0.894 1.00 0.00 C ATOM 0 H THR A 14 0.429 12.090 0.168 1.00 0.00 H new ATOM 0 HA THR A 14 0.168 13.608 2.509 1.00 0.00 H new ATOM 0 HB THR A 14 -0.821 13.913 -0.308 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.428 14.065 -0.217 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.022 16.317 0.067 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.187 15.377 1.031 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.741 16.065 1.806 1.00 0.00 H new ATOM 168 N LYS A 15 -2.660 12.192 1.599 1.00 0.00 N ATOM 169 CA LYS A 15 -4.016 11.946 2.081 1.00 0.00 C ATOM 170 C LYS A 15 -4.099 10.866 3.165 1.00 0.00 C ATOM 171 O LYS A 15 -5.172 10.684 3.738 1.00 0.00 O ATOM 172 CB LYS A 15 -4.913 11.591 0.884 1.00 0.00 C ATOM 173 CG LYS A 15 -4.991 12.645 -0.230 1.00 0.00 C ATOM 174 CD LYS A 15 -5.368 14.032 0.305 1.00 0.00 C ATOM 175 CE LYS A 15 -5.568 15.053 -0.813 1.00 0.00 C ATOM 176 NZ LYS A 15 -6.878 14.930 -1.484 1.00 0.00 N ATOM 0 H LYS A 15 -2.418 11.682 0.750 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.363 12.861 2.560 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.555 10.657 0.450 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.922 11.405 1.253 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.029 12.704 -0.739 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.726 12.332 -0.972 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.284 13.956 0.892 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.586 14.383 0.979 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.471 16.057 -0.401 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.776 14.933 -1.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.954 15.649 -2.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.965 13.983 -1.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.639 15.072 -0.789 1.00 0.00 H new ATOM 190 N LEU A 16 -3.024 10.135 3.473 1.00 0.00 N ATOM 191 CA LEU A 16 -3.060 8.903 4.215 1.00 0.00 C ATOM 192 C LEU A 16 -3.179 9.111 5.729 1.00 0.00 C ATOM 193 O LEU A 16 -3.571 8.191 6.445 1.00 0.00 O ATOM 194 CB LEU A 16 -1.734 8.235 3.840 1.00 0.00 C ATOM 195 CG LEU A 16 -1.476 6.950 4.581 1.00 0.00 C ATOM 196 CD1 LEU A 16 -2.592 5.909 4.444 1.00 0.00 C ATOM 197 CD2 LEU A 16 -0.134 6.382 4.129 1.00 0.00 C ATOM 0 H LEU A 16 -2.080 10.406 3.197 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.937 8.304 3.970 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.728 8.034 2.769 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.918 8.930 4.039 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.452 7.190 5.644 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.326 5.015 5.008 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.523 6.320 4.834 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.721 5.650 3.393 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.064 5.450 4.659 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.163 6.190 3.056 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.657 7.099 4.348 1.00 0.00 H new ATOM 209 N GLY A 17 -2.815 10.291 6.224 1.00 0.00 N ATOM 210 CA GLY A 17 -2.778 10.619 7.638 1.00 0.00 C ATOM 211 C GLY A 17 -3.201 12.052 7.884 1.00 0.00 C ATOM 212 O GLY A 17 -2.753 12.668 8.849 1.00 0.00 O ATOM 0 H GLY A 17 -2.529 11.068 5.628 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.435 9.945 8.187 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.770 10.464 8.023 1.00 0.00 H new ATOM 216 N THR A 18 -4.066 12.578 7.025 1.00 0.00 N ATOM 217 CA THR A 18 -4.577 13.941 7.069 1.00 0.00 C ATOM 218 C THR A 18 -6.121 13.892 7.018 1.00 0.00 C ATOM 219 O THR A 18 -6.779 14.897 6.761 1.00 0.00 O ATOM 220 CB THR A 18 -3.810 14.719 5.963 1.00 0.00 C ATOM 221 OG1 THR A 18 -3.058 15.780 6.518 1.00 0.00 O ATOM 222 CG2 THR A 18 -4.583 15.169 4.722 1.00 0.00 C ATOM 0 H THR A 18 -4.446 12.042 6.245 1.00 0.00 H new ATOM 0 HA THR A 18 -4.393 14.496 7.989 1.00 0.00 H new ATOM 0 HB THR A 18 -3.153 13.953 5.551 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.583 16.253 5.803 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.910 15.697 4.046 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.996 14.297 4.215 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.394 15.834 5.020 1.00 0.00 H new ATOM 230 N ASP A 19 -6.700 12.703 7.232 1.00 0.00 N ATOM 231 CA ASP A 19 -8.114 12.399 6.993 1.00 0.00 C ATOM 232 C ASP A 19 -8.758 11.623 8.147 1.00 0.00 C ATOM 233 O ASP A 19 -9.962 11.382 8.145 1.00 0.00 O ATOM 234 CB ASP A 19 -8.205 11.552 5.717 1.00 0.00 C ATOM 235 CG ASP A 19 -9.474 11.752 4.887 1.00 0.00 C ATOM 236 OD1 ASP A 19 -10.377 12.545 5.223 1.00 0.00 O ATOM 237 OD2 ASP A 19 -9.491 11.217 3.758 1.00 0.00 O ATOM 0 H ASP A 19 -6.179 11.902 7.588 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.652 13.342 6.899 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -7.342 11.776 5.090 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.134 10.500 5.993 1.00 0.00 H new ATOM 242 N ASP A 20 -7.937 11.179 9.100 1.00 0.00 N ATOM 243 CA ASP A 20 -8.244 10.402 10.304 1.00 0.00 C ATOM 244 C ASP A 20 -8.941 9.047 10.109 1.00 0.00 C ATOM 245 O ASP A 20 -8.920 8.222 11.025 1.00 0.00 O ATOM 246 CB ASP A 20 -8.975 11.269 11.332 1.00 0.00 C ATOM 247 CG ASP A 20 -8.833 10.676 12.726 1.00 0.00 C ATOM 248 OD1 ASP A 20 -7.682 10.448 13.163 1.00 0.00 O ATOM 249 OD2 ASP A 20 -9.857 10.472 13.409 1.00 0.00 O ATOM 0 H ASP A 20 -6.938 11.375 9.042 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.263 10.110 10.680 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.569 12.281 11.318 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -10.030 11.345 11.068 1.00 0.00 H new ATOM 254 N ASN A 21 -9.436 8.724 8.912 1.00 0.00 N ATOM 255 CA ASN A 21 -9.954 7.405 8.523 1.00 0.00 C ATOM 256 C ASN A 21 -9.008 6.644 7.591 1.00 0.00 C ATOM 257 O ASN A 21 -9.211 5.446 7.373 1.00 0.00 O ATOM 258 CB ASN A 21 -11.309 7.546 7.809 1.00 0.00 C ATOM 259 CG ASN A 21 -11.199 8.159 6.411 1.00 0.00 C ATOM 260 OD1 ASN A 21 -10.260 8.877 6.094 1.00 0.00 O ATOM 261 ND2 ASN A 21 -12.123 7.854 5.524 1.00 0.00 N ATOM 0 H ASN A 21 -9.490 9.402 8.152 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.057 6.841 9.450 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -11.774 6.563 7.731 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -11.969 8.164 8.418 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.056 8.216 4.573 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.906 7.256 5.788 1.00 0.00 H new ATOM 268 N ALA A 22 -8.019 7.320 6.998 1.00 0.00 N ATOM 269 CA ALA A 22 -7.303 6.799 5.847 1.00 0.00 C ATOM 270 C ALA A 22 -6.286 5.735 6.266 1.00 0.00 C ATOM 271 O ALA A 22 -5.634 5.861 7.302 1.00 0.00 O ATOM 272 CB ALA A 22 -6.642 7.954 5.101 1.00 0.00 C ATOM 0 H ALA A 22 -7.699 8.238 7.306 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.007 6.309 5.175 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.103 7.567 4.236 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.406 8.657 4.768 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.944 8.464 5.765 1.00 0.00 H new ATOM 278 N GLN A 23 -6.106 4.691 5.460 1.00 0.00 N ATOM 279 CA GLN A 23 -5.272 3.527 5.765 1.00 0.00 C ATOM 280 C GLN A 23 -4.423 3.137 4.545 1.00 0.00 C ATOM 281 O GLN A 23 -4.622 3.668 3.454 1.00 0.00 O ATOM 282 CB GLN A 23 -6.188 2.367 6.193 1.00 0.00 C ATOM 283 CG GLN A 23 -6.792 2.484 7.619 1.00 0.00 C ATOM 284 CD GLN A 23 -6.191 1.560 8.681 1.00 0.00 C ATOM 285 OE1 GLN A 23 -4.917 1.672 9.005 1.00 0.00 O flip ATOM 286 NE2 GLN A 23 -6.862 0.690 9.230 1.00 0.00 N flip ATOM 0 H GLN A 23 -6.551 4.628 4.545 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.585 3.765 6.577 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.005 2.289 5.476 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.621 1.438 6.132 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.679 3.514 7.956 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.862 2.285 7.556 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.849 0.584 8.996 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -6.432 0.074 9.920 1.00 0.00 H new ATOM 295 N LEU A 24 -3.509 2.170 4.700 1.00 0.00 N ATOM 296 CA LEU A 24 -2.566 1.731 3.667 1.00 0.00 C ATOM 297 C LEU A 24 -2.593 0.208 3.515 1.00 0.00 C ATOM 298 O LEU A 24 -2.569 -0.497 4.532 1.00 0.00 O ATOM 299 CB LEU A 24 -1.163 2.197 4.086 1.00 0.00 C ATOM 300 CG LEU A 24 -0.163 2.482 2.958 1.00 0.00 C ATOM 301 CD1 LEU A 24 0.265 1.258 2.137 1.00 0.00 C ATOM 302 CD2 LEU A 24 -0.684 3.569 2.021 1.00 0.00 C ATOM 0 H LEU A 24 -3.404 1.657 5.575 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.842 2.161 2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.270 3.103 4.682 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.733 1.436 4.737 1.00 0.00 H new ATOM 0 HG LEU A 24 0.733 2.822 3.477 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.972 1.566 1.366 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.739 0.527 2.793 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.611 0.810 1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.046 3.750 1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.626 3.246 1.577 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.844 4.488 2.584 1.00 0.00 H new ATOM 314 N LEU A 25 -2.610 -0.305 2.283 1.00 0.00 N ATOM 315 CA LEU A 25 -2.511 -1.729 1.975 1.00 0.00 C ATOM 316 C LEU A 25 -1.333 -1.968 1.050 1.00 0.00 C ATOM 317 O LEU A 25 -1.357 -1.673 -0.139 1.00 0.00 O ATOM 318 CB LEU A 25 -3.818 -2.282 1.385 1.00 0.00 C ATOM 319 CG LEU A 25 -4.199 -3.701 1.825 1.00 0.00 C ATOM 320 CD1 LEU A 25 -3.407 -4.788 1.117 1.00 0.00 C ATOM 321 CD2 LEU A 25 -4.049 -3.942 3.322 1.00 0.00 C ATOM 0 H LEU A 25 -2.696 0.277 1.450 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.343 -2.273 2.905 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.631 -1.607 1.655 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.739 -2.267 0.298 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.251 -3.764 1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.728 -5.765 1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.579 -4.722 0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.345 -4.657 1.323 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.337 -4.967 3.556 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.011 -3.781 3.614 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.691 -3.251 3.868 1.00 0.00 H new ATOM 333 N ASP A 26 -0.259 -2.456 1.638 1.00 0.00 N ATOM 334 CA ASP A 26 0.970 -2.810 0.968 1.00 0.00 C ATOM 335 C ASP A 26 0.773 -4.186 0.313 1.00 0.00 C ATOM 336 O ASP A 26 0.751 -5.218 0.998 1.00 0.00 O ATOM 337 CB ASP A 26 2.068 -2.753 2.034 1.00 0.00 C ATOM 338 CG ASP A 26 3.445 -3.052 1.486 1.00 0.00 C ATOM 339 OD1 ASP A 26 3.541 -3.744 0.453 1.00 0.00 O ATOM 340 OD2 ASP A 26 4.411 -2.534 2.089 1.00 0.00 O ATOM 0 H ASP A 26 -0.221 -2.623 2.643 1.00 0.00 H new ATOM 0 HA ASP A 26 1.258 -2.136 0.161 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.072 -1.763 2.490 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.836 -3.467 2.825 1.00 0.00 H new ATOM 345 N ILE A 27 0.528 -4.202 -1.001 1.00 0.00 N ATOM 346 CA ILE A 27 0.340 -5.439 -1.765 1.00 0.00 C ATOM 347 C ILE A 27 1.673 -6.010 -2.284 1.00 0.00 C ATOM 348 O ILE A 27 1.645 -6.934 -3.110 1.00 0.00 O ATOM 349 CB ILE A 27 -0.721 -5.298 -2.882 1.00 0.00 C ATOM 350 CG1 ILE A 27 -0.343 -4.325 -4.017 1.00 0.00 C ATOM 351 CG2 ILE A 27 -2.089 -4.976 -2.259 1.00 0.00 C ATOM 352 CD1 ILE A 27 -1.198 -4.541 -5.278 1.00 0.00 C ATOM 0 H ILE A 27 0.454 -3.356 -1.566 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.060 -6.173 -1.065 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.774 -6.263 -3.386 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.465 -3.299 -3.669 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.710 -4.454 -4.268 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.834 -4.877 -3.048 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.380 -5.781 -1.584 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.024 -4.041 -1.702 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.895 -3.833 -6.049 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.057 -5.558 -5.644 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.249 -4.385 -5.036 1.00 0.00 H new ATOM 364 N ARG A 28 2.827 -5.445 -1.891 1.00 0.00 N ATOM 365 CA ARG A 28 4.120 -5.953 -2.346 1.00 0.00 C ATOM 366 C ARG A 28 4.342 -7.347 -1.757 1.00 0.00 C ATOM 367 O ARG A 28 3.808 -7.676 -0.694 1.00 0.00 O ATOM 368 CB ARG A 28 5.261 -4.974 -2.018 1.00 0.00 C ATOM 369 CG ARG A 28 5.034 -3.613 -2.712 1.00 0.00 C ATOM 370 CD ARG A 28 6.242 -2.651 -2.748 1.00 0.00 C ATOM 371 NE ARG A 28 6.961 -2.577 -1.473 1.00 0.00 N ATOM 372 CZ ARG A 28 6.423 -2.239 -0.306 1.00 0.00 C ATOM 373 NH1 ARG A 28 5.349 -1.462 -0.271 1.00 0.00 N ATOM 374 NH2 ARG A 28 6.931 -2.691 0.826 1.00 0.00 N ATOM 0 H ARG A 28 2.885 -4.643 -1.264 1.00 0.00 H new ATOM 0 HA ARG A 28 4.117 -6.039 -3.433 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.324 -4.831 -0.939 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.213 -5.397 -2.340 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.716 -3.801 -3.738 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.209 -3.107 -2.210 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.932 -2.974 -3.528 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.896 -1.654 -3.021 1.00 0.00 H new ATOM 0 HE ARG A 28 7.956 -2.803 -1.482 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.936 -1.124 -1.140 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.936 -1.203 0.625 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.745 -3.306 0.810 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.510 -2.425 1.716 1.00 0.00 H new ATOM 388 N ALA A 29 5.094 -8.183 -2.474 1.00 0.00 N ATOM 389 CA ALA A 29 5.309 -9.582 -2.133 1.00 0.00 C ATOM 390 C ALA A 29 6.018 -9.723 -0.792 1.00 0.00 C ATOM 391 O ALA A 29 6.721 -8.819 -0.359 1.00 0.00 O ATOM 392 CB ALA A 29 6.086 -10.265 -3.257 1.00 0.00 C ATOM 0 H ALA A 29 5.579 -7.897 -3.325 1.00 0.00 H new ATOM 0 HA ALA A 29 4.342 -10.075 -2.028 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.248 -11.313 -3.003 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.517 -10.200 -4.184 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.049 -9.770 -3.387 1.00 0.00 H new ATOM 398 N THR A 30 5.912 -10.879 -0.135 1.00 0.00 N ATOM 399 CA THR A 30 6.526 -11.055 1.180 1.00 0.00 C ATOM 400 C THR A 30 8.067 -10.972 1.106 1.00 0.00 C ATOM 401 O THR A 30 8.717 -10.608 2.084 1.00 0.00 O ATOM 402 CB THR A 30 6.012 -12.353 1.817 1.00 0.00 C ATOM 403 OG1 THR A 30 4.599 -12.423 1.679 1.00 0.00 O ATOM 404 CG2 THR A 30 6.351 -12.407 3.311 1.00 0.00 C ATOM 0 H THR A 30 5.414 -11.697 -0.487 1.00 0.00 H new ATOM 0 HA THR A 30 6.229 -10.233 1.831 1.00 0.00 H new ATOM 0 HB THR A 30 6.493 -13.189 1.309 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.271 -13.253 2.084 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.975 -13.338 3.736 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.432 -12.360 3.441 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.887 -11.562 3.820 1.00 0.00 H new ATOM 412 N ALA A 31 8.650 -11.232 -0.065 1.00 0.00 N ATOM 413 CA ALA A 31 10.059 -11.030 -0.361 1.00 0.00 C ATOM 414 C ALA A 31 10.478 -9.554 -0.356 1.00 0.00 C ATOM 415 O ALA A 31 11.653 -9.257 -0.136 1.00 0.00 O ATOM 416 CB ALA A 31 10.320 -11.641 -1.732 1.00 0.00 C ATOM 0 H ALA A 31 8.129 -11.603 -0.860 1.00 0.00 H new ATOM 0 HA ALA A 31 10.651 -11.506 0.421 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.370 -11.511 -1.994 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.081 -12.704 -1.708 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.696 -11.146 -2.476 1.00 0.00 H new ATOM 422 N ASP A 32 9.548 -8.634 -0.592 1.00 0.00 N ATOM 423 CA ASP A 32 9.803 -7.200 -0.652 1.00 0.00 C ATOM 424 C ASP A 32 10.312 -6.706 0.697 1.00 0.00 C ATOM 425 O ASP A 32 11.371 -6.094 0.775 1.00 0.00 O ATOM 426 CB ASP A 32 8.525 -6.475 -1.044 1.00 0.00 C ATOM 427 CG ASP A 32 8.801 -5.002 -1.233 1.00 0.00 C ATOM 428 OD1 ASP A 32 8.876 -4.287 -0.214 1.00 0.00 O ATOM 429 OD2 ASP A 32 8.852 -4.563 -2.397 1.00 0.00 O ATOM 0 H ASP A 32 8.569 -8.873 -0.751 1.00 0.00 H new ATOM 0 HA ASP A 32 10.567 -6.995 -1.402 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.125 -6.899 -1.965 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.767 -6.615 -0.273 1.00 0.00 H new ATOM 434 N PHE A 33 9.674 -7.115 1.792 1.00 0.00 N ATOM 435 CA PHE A 33 10.044 -6.765 3.166 1.00 0.00 C ATOM 436 C PHE A 33 11.425 -7.286 3.583 1.00 0.00 C ATOM 437 O PHE A 33 11.859 -7.095 4.724 1.00 0.00 O ATOM 438 CB PHE A 33 8.955 -7.264 4.122 1.00 0.00 C ATOM 439 CG PHE A 33 7.560 -6.846 3.697 1.00 0.00 C ATOM 440 CD1 PHE A 33 7.023 -5.600 4.073 1.00 0.00 C ATOM 441 CD2 PHE A 33 6.837 -7.677 2.826 1.00 0.00 C ATOM 442 CE1 PHE A 33 5.798 -5.171 3.526 1.00 0.00 C ATOM 443 CE2 PHE A 33 5.636 -7.231 2.254 1.00 0.00 C ATOM 444 CZ PHE A 33 5.155 -5.956 2.563 1.00 0.00 C ATOM 0 H PHE A 33 8.855 -7.721 1.747 1.00 0.00 H new ATOM 0 HA PHE A 33 10.119 -5.679 3.216 1.00 0.00 H new ATOM 0 HB2 PHE A 33 9.001 -8.351 4.181 1.00 0.00 H new ATOM 0 HB3 PHE A 33 9.154 -6.882 5.123 1.00 0.00 H new ATOM 0 HD1 PHE A 33 7.549 -4.975 4.779 1.00 0.00 H new ATOM 0 HD2 PHE A 33 7.207 -8.665 2.595 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.357 -4.240 3.849 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.086 -7.870 1.579 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.282 -5.574 2.055 1.00 0.00 H new ATOM 454 N ARG A 34 12.123 -7.979 2.688 1.00 0.00 N ATOM 455 CA ARG A 34 13.438 -8.568 2.875 1.00 0.00 C ATOM 456 C ARG A 34 14.499 -7.872 2.027 1.00 0.00 C ATOM 457 O ARG A 34 15.685 -7.983 2.333 1.00 0.00 O ATOM 458 CB ARG A 34 13.382 -10.030 2.447 1.00 0.00 C ATOM 459 CG ARG A 34 12.079 -10.728 2.875 1.00 0.00 C ATOM 460 CD ARG A 34 12.170 -12.240 2.761 1.00 0.00 C ATOM 461 NE ARG A 34 13.151 -12.780 3.711 1.00 0.00 N ATOM 462 CZ ARG A 34 12.968 -12.983 5.019 1.00 0.00 C ATOM 463 NH1 ARG A 34 11.803 -12.732 5.612 1.00 0.00 N ATOM 464 NH2 ARG A 34 13.984 -13.456 5.723 1.00 0.00 N ATOM 0 H ARG A 34 11.757 -8.153 1.752 1.00 0.00 H new ATOM 0 HA ARG A 34 13.707 -8.462 3.926 1.00 0.00 H new ATOM 0 HB2 ARG A 34 13.482 -10.090 1.363 1.00 0.00 H new ATOM 0 HB3 ARG A 34 14.231 -10.562 2.876 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.846 -10.457 3.905 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.257 -10.368 2.257 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.192 -12.682 2.951 1.00 0.00 H new ATOM 0 HD3 ARG A 34 12.452 -12.516 1.745 1.00 0.00 H new ATOM 0 HE ARG A 34 14.066 -13.025 3.334 1.00 0.00 H new ATOM 0 HH11 ARG A 34 11.019 -12.375 5.066 1.00 0.00 H new ATOM 0 HH12 ARG A 34 11.694 -12.897 6.613 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.873 -13.654 5.265 1.00 0.00 H new ATOM 0 HH22 ARG A 34 13.878 -13.622 6.724 1.00 0.00 H new ATOM 478 N GLN A 35 14.082 -7.193 0.957 1.00 0.00 N ATOM 479 CA GLN A 35 14.962 -6.647 -0.072 1.00 0.00 C ATOM 480 C GLN A 35 14.723 -5.166 -0.370 1.00 0.00 C ATOM 481 O GLN A 35 15.630 -4.497 -0.858 1.00 0.00 O ATOM 482 CB GLN A 35 14.833 -7.512 -1.333 1.00 0.00 C ATOM 483 CG GLN A 35 13.596 -7.194 -2.187 1.00 0.00 C ATOM 484 CD GLN A 35 13.259 -8.287 -3.196 1.00 0.00 C ATOM 485 OE1 GLN A 35 12.217 -8.926 -3.104 1.00 0.00 O ATOM 486 NE2 GLN A 35 14.120 -8.536 -4.166 1.00 0.00 N ATOM 0 H GLN A 35 13.096 -7.004 0.779 1.00 0.00 H new ATOM 0 HA GLN A 35 15.984 -6.684 0.306 1.00 0.00 H new ATOM 0 HB2 GLN A 35 15.726 -7.381 -1.944 1.00 0.00 H new ATOM 0 HB3 GLN A 35 14.799 -8.561 -1.039 1.00 0.00 H new ATOM 0 HG2 GLN A 35 12.740 -7.040 -1.530 1.00 0.00 H new ATOM 0 HG3 GLN A 35 13.762 -6.257 -2.719 1.00 0.00 H new ATOM 0 HE21 GLN A 35 14.984 -7.997 -4.232 1.00 0.00 H new ATOM 0 HE22 GLN A 35 13.921 -9.267 -4.849 1.00 0.00 H new ATOM 495 N VAL A 36 13.544 -4.646 -0.045 1.00 0.00 N ATOM 496 CA VAL A 36 13.139 -3.251 -0.161 1.00 0.00 C ATOM 497 C VAL A 36 12.787 -2.750 1.247 1.00 0.00 C ATOM 498 O VAL A 36 13.421 -1.818 1.740 1.00 0.00 O ATOM 499 CB VAL A 36 11.983 -3.068 -1.168 1.00 0.00 C ATOM 500 CG1 VAL A 36 11.813 -1.588 -1.523 1.00 0.00 C ATOM 501 CG2 VAL A 36 12.163 -3.850 -2.476 1.00 0.00 C ATOM 0 H VAL A 36 12.796 -5.228 0.332 1.00 0.00 H new ATOM 0 HA VAL A 36 13.956 -2.653 -0.563 1.00 0.00 H new ATOM 0 HB VAL A 36 11.101 -3.463 -0.664 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.994 -1.476 -2.234 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.589 -1.020 -0.620 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.734 -1.213 -1.969 1.00 0.00 H new ATOM 0 HG21 VAL A 36 11.309 -3.668 -3.129 1.00 0.00 H new ATOM 0 HG22 VAL A 36 13.076 -3.523 -2.973 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.231 -4.915 -2.256 1.00 0.00 H new ATOM 511 N GLY A 37 11.850 -3.397 1.950 1.00 0.00 N ATOM 512 CA GLY A 37 11.461 -3.047 3.313 1.00 0.00 C ATOM 513 C GLY A 37 9.955 -2.840 3.384 1.00 0.00 C ATOM 514 O GLY A 37 9.200 -3.575 2.757 1.00 0.00 O ATOM 0 H GLY A 37 11.333 -4.193 1.576 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.761 -3.838 4.001 1.00 0.00 H new ATOM 0 HA3 GLY A 37 11.977 -2.139 3.626 1.00 0.00 H new ATOM 518 N SER A 38 9.507 -1.877 4.181 1.00 0.00 N ATOM 519 CA SER A 38 8.109 -1.471 4.209 1.00 0.00 C ATOM 520 C SER A 38 8.036 0.048 4.355 1.00 0.00 C ATOM 521 O SER A 38 8.973 0.645 4.887 1.00 0.00 O ATOM 522 CB SER A 38 7.338 -2.171 5.343 1.00 0.00 C ATOM 523 OG SER A 38 8.134 -2.899 6.275 1.00 0.00 O ATOM 0 H SER A 38 10.103 -1.357 4.825 1.00 0.00 H new ATOM 0 HA SER A 38 7.636 -1.771 3.274 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.769 -1.418 5.889 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.616 -2.855 4.898 1.00 0.00 H new ATOM 0 HG SER A 38 7.555 -3.304 6.954 1.00 0.00 H new ATOM 529 N PRO A 39 6.926 0.688 3.966 1.00 0.00 N ATOM 530 CA PRO A 39 6.734 2.113 4.165 1.00 0.00 C ATOM 531 C PRO A 39 6.506 2.423 5.644 1.00 0.00 C ATOM 532 O PRO A 39 5.740 1.734 6.330 1.00 0.00 O ATOM 533 CB PRO A 39 5.523 2.466 3.314 1.00 0.00 C ATOM 534 CG PRO A 39 4.702 1.173 3.310 1.00 0.00 C ATOM 535 CD PRO A 39 5.769 0.087 3.325 1.00 0.00 C ATOM 0 HA PRO A 39 7.606 2.699 3.874 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.961 3.297 3.740 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.813 2.761 2.305 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.048 1.108 4.180 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.066 1.102 2.427 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.428 -0.791 3.874 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.008 -0.243 2.314 1.00 0.00 H new ATOM 543 N ASN A 40 7.179 3.456 6.157 1.00 0.00 N ATOM 544 CA ASN A 40 6.984 3.894 7.533 1.00 0.00 C ATOM 545 C ASN A 40 5.905 4.958 7.525 1.00 0.00 C ATOM 546 O ASN A 40 6.140 6.056 7.038 1.00 0.00 O ATOM 547 CB ASN A 40 8.261 4.443 8.184 1.00 0.00 C ATOM 548 CG ASN A 40 7.938 5.002 9.566 1.00 0.00 C ATOM 549 OD1 ASN A 40 7.041 4.514 10.260 1.00 0.00 O ATOM 550 ND2 ASN A 40 8.639 6.033 9.993 1.00 0.00 N ATOM 0 H ASN A 40 7.864 4.003 5.635 1.00 0.00 H new ATOM 0 HA ASN A 40 6.695 3.030 8.131 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.007 3.652 8.267 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.693 5.224 7.558 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.444 6.439 10.908 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.377 6.425 9.408 1.00 0.00 H new ATOM 557 N ILE A 41 4.733 4.635 8.057 1.00 0.00 N ATOM 558 CA ILE A 41 3.641 5.589 8.238 1.00 0.00 C ATOM 559 C ILE A 41 3.205 5.651 9.706 1.00 0.00 C ATOM 560 O ILE A 41 2.122 6.145 10.013 1.00 0.00 O ATOM 561 CB ILE A 41 2.490 5.279 7.259 1.00 0.00 C ATOM 562 CG1 ILE A 41 1.922 3.850 7.407 1.00 0.00 C ATOM 563 CG2 ILE A 41 2.947 5.518 5.811 1.00 0.00 C ATOM 564 CD1 ILE A 41 0.391 3.864 7.372 1.00 0.00 C ATOM 0 H ILE A 41 4.509 3.693 8.379 1.00 0.00 H new ATOM 0 HA ILE A 41 3.990 6.592 7.992 1.00 0.00 H new ATOM 0 HB ILE A 41 1.679 5.961 7.513 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.302 3.218 6.604 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.264 3.414 8.345 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.126 5.296 5.129 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.247 6.559 5.691 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.793 4.869 5.584 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.015 2.846 7.478 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.014 4.477 8.191 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.053 4.279 6.422 1.00 0.00 H new ATOM 576 N LYS A 42 3.997 5.093 10.628 1.00 0.00 N ATOM 577 CA LYS A 42 3.599 4.959 12.025 1.00 0.00 C ATOM 578 C LYS A 42 3.414 6.330 12.674 1.00 0.00 C ATOM 579 O LYS A 42 2.553 6.476 13.542 1.00 0.00 O ATOM 580 CB LYS A 42 4.627 4.089 12.760 1.00 0.00 C ATOM 581 CG LYS A 42 4.113 3.223 13.919 1.00 0.00 C ATOM 582 CD LYS A 42 3.701 4.002 15.175 1.00 0.00 C ATOM 583 CE LYS A 42 3.647 3.098 16.412 1.00 0.00 C ATOM 584 NZ LYS A 42 4.991 2.716 16.891 1.00 0.00 N ATOM 0 H LYS A 42 4.926 4.725 10.424 1.00 0.00 H new ATOM 0 HA LYS A 42 2.631 4.462 12.088 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.097 3.431 12.029 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.408 4.743 13.148 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.257 2.646 13.570 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.889 2.508 14.191 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.408 4.813 15.348 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.724 4.459 15.016 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.112 3.612 17.211 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.079 2.198 16.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.913 2.281 17.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.415 2.035 16.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.592 3.562 16.949 1.00 0.00 H new ATOM 598 N GLY A 43 4.151 7.348 12.233 1.00 0.00 N ATOM 599 CA GLY A 43 3.975 8.732 12.645 1.00 0.00 C ATOM 600 C GLY A 43 2.593 9.279 12.286 1.00 0.00 C ATOM 601 O GLY A 43 2.133 10.219 12.934 1.00 0.00 O ATOM 0 H GLY A 43 4.908 7.225 11.560 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.124 8.809 13.722 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.740 9.348 12.173 1.00 0.00 H new ATOM 605 N LEU A 44 1.905 8.698 11.299 1.00 0.00 N ATOM 606 CA LEU A 44 0.533 9.064 10.957 1.00 0.00 C ATOM 607 C LEU A 44 -0.486 8.367 11.875 1.00 0.00 C ATOM 608 O LEU A 44 -1.654 8.747 11.868 1.00 0.00 O ATOM 609 CB LEU A 44 0.228 8.730 9.483 1.00 0.00 C ATOM 610 CG LEU A 44 1.209 9.280 8.428 1.00 0.00 C ATOM 611 CD1 LEU A 44 0.724 8.913 7.021 1.00 0.00 C ATOM 612 CD2 LEU A 44 1.369 10.802 8.508 1.00 0.00 C ATOM 0 H LEU A 44 2.289 7.957 10.713 1.00 0.00 H new ATOM 0 HA LEU A 44 0.440 10.140 11.103 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.192 7.645 9.381 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.768 9.105 9.249 1.00 0.00 H new ATOM 0 HG LEU A 44 2.178 8.826 8.635 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.422 9.305 6.282 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.667 7.829 6.927 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.263 9.344 6.852 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.070 11.135 7.743 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.402 11.279 8.346 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.748 11.077 9.492 1.00 0.00 H new ATOM 624 N GLY A 45 -0.082 7.351 12.648 1.00 0.00 N ATOM 625 CA GLY A 45 -0.941 6.700 13.635 1.00 0.00 C ATOM 626 C GLY A 45 -0.786 5.185 13.732 1.00 0.00 C ATOM 627 O GLY A 45 -1.174 4.594 14.740 1.00 0.00 O ATOM 0 H GLY A 45 0.858 6.958 12.603 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.736 7.134 14.614 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.980 6.928 13.396 1.00 0.00 H new ATOM 631 N LYS A 46 -0.303 4.526 12.678 1.00 0.00 N ATOM 632 CA LYS A 46 -0.365 3.070 12.521 1.00 0.00 C ATOM 633 C LYS A 46 0.547 2.640 11.389 1.00 0.00 C ATOM 634 O LYS A 46 1.018 3.481 10.629 1.00 0.00 O ATOM 635 CB LYS A 46 -1.798 2.579 12.228 1.00 0.00 C ATOM 636 CG LYS A 46 -2.747 3.513 11.466 1.00 0.00 C ATOM 637 CD LYS A 46 -2.239 4.167 10.170 1.00 0.00 C ATOM 638 CE LYS A 46 -3.424 4.803 9.430 1.00 0.00 C ATOM 639 NZ LYS A 46 -3.028 5.575 8.234 1.00 0.00 N ATOM 0 H LYS A 46 0.151 4.996 11.895 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.042 2.626 13.462 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.722 1.650 11.663 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.267 2.335 13.181 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.646 2.947 11.223 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.046 4.311 12.146 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.489 4.924 10.400 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.756 3.422 9.537 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.119 4.018 9.132 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.960 5.460 10.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.875 5.818 7.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.544 6.447 8.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.386 5.004 7.649 1.00 0.00 H new ATOM 653 N LYS A 47 0.833 1.344 11.287 1.00 0.00 N ATOM 654 CA LYS A 47 1.642 0.836 10.184 1.00 0.00 C ATOM 655 C LYS A 47 0.764 0.664 8.941 1.00 0.00 C ATOM 656 O LYS A 47 -0.452 0.889 8.976 1.00 0.00 O ATOM 657 CB LYS A 47 2.366 -0.469 10.572 1.00 0.00 C ATOM 658 CG LYS A 47 3.840 -0.434 10.121 1.00 0.00 C ATOM 659 CD LYS A 47 4.788 0.152 11.178 1.00 0.00 C ATOM 660 CE LYS A 47 5.088 -0.840 12.308 1.00 0.00 C ATOM 661 NZ LYS A 47 5.791 -2.061 11.857 1.00 0.00 N ATOM 0 H LYS A 47 0.520 0.633 11.948 1.00 0.00 H new ATOM 0 HA LYS A 47 2.423 1.560 9.952 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.315 -0.611 11.651 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.861 -1.320 10.114 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.162 -1.446 9.877 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.919 0.155 9.207 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.722 0.448 10.700 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.345 1.055 11.599 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.693 -0.342 13.065 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.151 -1.126 12.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.198 -2.551 12.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.118 -2.692 11.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.552 -1.800 11.198 1.00 0.00 H new ATOM 675 N ALA A 48 1.390 0.297 7.825 1.00 0.00 N ATOM 676 CA ALA A 48 0.703 -0.253 6.673 1.00 0.00 C ATOM 677 C ALA A 48 0.454 -1.736 6.939 1.00 0.00 C ATOM 678 O ALA A 48 1.354 -2.429 7.422 1.00 0.00 O ATOM 679 CB ALA A 48 1.584 -0.074 5.435 1.00 0.00 C ATOM 0 H ALA A 48 2.399 0.376 7.700 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.246 0.255 6.502 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.075 -0.485 4.563 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.777 0.987 5.276 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.529 -0.596 5.583 1.00 0.00 H new ATOM 685 N VAL A 49 -0.745 -2.221 6.623 1.00 0.00 N ATOM 686 CA VAL A 49 -1.016 -3.651 6.555 1.00 0.00 C ATOM 687 C VAL A 49 -0.313 -4.124 5.284 1.00 0.00 C ATOM 688 O VAL A 49 -0.584 -3.548 4.232 1.00 0.00 O ATOM 689 CB VAL A 49 -2.540 -3.894 6.466 1.00 0.00 C ATOM 690 CG1 VAL A 49 -2.902 -5.373 6.245 1.00 0.00 C ATOM 691 CG2 VAL A 49 -3.312 -3.406 7.701 1.00 0.00 C ATOM 0 H VAL A 49 -1.551 -1.635 6.408 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.661 -4.188 7.435 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.840 -3.306 5.598 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.986 -5.478 6.191 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.457 -5.721 5.313 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.520 -5.969 7.074 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.375 -3.609 7.569 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.950 -3.929 8.586 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.160 -2.334 7.825 1.00 0.00 H new ATOM 701 N SER A 50 0.550 -5.144 5.339 1.00 0.00 N ATOM 702 CA SER A 50 0.875 -5.859 4.107 1.00 0.00 C ATOM 703 C SER A 50 -0.166 -6.950 3.896 1.00 0.00 C ATOM 704 O SER A 50 -0.546 -7.637 4.848 1.00 0.00 O ATOM 705 CB SER A 50 2.291 -6.426 4.097 1.00 0.00 C ATOM 706 OG SER A 50 2.484 -7.173 2.905 1.00 0.00 O ATOM 0 H SER A 50 1.016 -5.479 6.182 1.00 0.00 H new ATOM 0 HA SER A 50 0.849 -5.150 3.280 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.020 -5.618 4.157 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.448 -7.062 4.969 1.00 0.00 H new ATOM 0 HG SER A 50 3.441 -7.215 2.696 1.00 0.00 H new ATOM 712 N THR A 51 -0.597 -7.169 2.659 1.00 0.00 N ATOM 713 CA THR A 51 -1.209 -8.407 2.201 1.00 0.00 C ATOM 714 C THR A 51 -0.922 -8.489 0.704 1.00 0.00 C ATOM 715 O THR A 51 -1.523 -7.743 -0.065 1.00 0.00 O ATOM 716 CB THR A 51 -2.718 -8.410 2.495 1.00 0.00 C ATOM 717 OG1 THR A 51 -2.937 -8.270 3.887 1.00 0.00 O ATOM 718 CG2 THR A 51 -3.404 -9.691 2.025 1.00 0.00 C ATOM 0 H THR A 51 -0.527 -6.465 1.924 1.00 0.00 H new ATOM 0 HA THR A 51 -0.802 -9.275 2.719 1.00 0.00 H new ATOM 0 HB THR A 51 -3.147 -7.572 1.945 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.095 -8.417 4.367 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.468 -9.640 2.257 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.272 -9.800 0.949 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.962 -10.548 2.533 1.00 0.00 H new ATOM 726 N VAL A 52 -0.022 -9.383 0.280 1.00 0.00 N ATOM 727 CA VAL A 52 0.267 -9.584 -1.140 1.00 0.00 C ATOM 728 C VAL A 52 -1.050 -9.878 -1.866 1.00 0.00 C ATOM 729 O VAL A 52 -1.832 -10.717 -1.395 1.00 0.00 O ATOM 730 CB VAL A 52 1.284 -10.725 -1.378 1.00 0.00 C ATOM 731 CG1 VAL A 52 1.892 -10.595 -2.781 1.00 0.00 C ATOM 732 CG2 VAL A 52 2.378 -10.829 -0.303 1.00 0.00 C ATOM 0 H VAL A 52 0.520 -9.980 0.905 1.00 0.00 H new ATOM 0 HA VAL A 52 0.725 -8.676 -1.533 1.00 0.00 H new ATOM 0 HB VAL A 52 0.727 -11.659 -1.302 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.608 -11.401 -2.944 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.100 -10.657 -3.528 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.401 -9.635 -2.870 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.049 -11.653 -0.545 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.944 -9.898 -0.269 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.918 -11.009 0.668 1.00 0.00 H new ATOM 742 N TYR A 53 -1.297 -9.205 -2.992 1.00 0.00 N ATOM 743 CA TYR A 53 -2.470 -9.413 -3.835 1.00 0.00 C ATOM 744 C TYR A 53 -2.099 -10.308 -5.009 1.00 0.00 C ATOM 745 O TYR A 53 -1.088 -10.077 -5.681 1.00 0.00 O ATOM 746 CB TYR A 53 -2.994 -8.065 -4.345 1.00 0.00 C ATOM 747 CG TYR A 53 -4.106 -8.185 -5.373 1.00 0.00 C ATOM 748 CD1 TYR A 53 -5.403 -8.583 -4.999 1.00 0.00 C ATOM 749 CD2 TYR A 53 -3.831 -7.911 -6.722 1.00 0.00 C ATOM 750 CE1 TYR A 53 -6.428 -8.666 -5.959 1.00 0.00 C ATOM 751 CE2 TYR A 53 -4.836 -8.027 -7.689 1.00 0.00 C ATOM 752 CZ TYR A 53 -6.142 -8.379 -7.312 1.00 0.00 C ATOM 753 OH TYR A 53 -7.096 -8.487 -8.271 1.00 0.00 O ATOM 0 H TYR A 53 -0.670 -8.484 -3.349 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.254 -9.895 -3.251 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.357 -7.484 -3.498 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.166 -7.507 -4.783 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.613 -8.826 -3.968 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -2.837 -7.609 -7.016 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.428 -8.948 -5.663 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.606 -7.845 -8.729 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.714 -8.248 -9.141 1.00 0.00 H new ATOM 763 N ASN A 54 -2.929 -11.317 -5.265 1.00 0.00 N ATOM 764 CA ASN A 54 -2.835 -12.118 -6.495 1.00 0.00 C ATOM 765 C ASN A 54 -3.794 -11.533 -7.523 1.00 0.00 C ATOM 766 O ASN A 54 -3.352 -11.003 -8.535 1.00 0.00 O ATOM 767 CB ASN A 54 -3.139 -13.621 -6.338 1.00 0.00 C ATOM 768 CG ASN A 54 -2.272 -14.373 -5.342 1.00 0.00 C ATOM 769 OD1 ASN A 54 -1.047 -14.382 -5.412 1.00 0.00 O ATOM 770 ND2 ASN A 54 -2.887 -15.056 -4.391 1.00 0.00 N ATOM 0 H ASN A 54 -3.679 -11.604 -4.637 1.00 0.00 H new ATOM 0 HA ASN A 54 -1.791 -12.064 -6.803 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -4.181 -13.732 -6.039 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -3.035 -14.097 -7.313 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.343 -15.591 -3.714 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.905 -15.047 -4.334 1.00 0.00 H new ATOM 777 N GLY A 55 -5.101 -11.674 -7.281 1.00 0.00 N ATOM 778 CA GLY A 55 -6.174 -11.412 -8.239 1.00 0.00 C ATOM 779 C GLY A 55 -6.816 -12.685 -8.775 1.00 0.00 C ATOM 780 O GLY A 55 -7.972 -12.653 -9.189 1.00 0.00 O ATOM 0 H GLY A 55 -5.452 -11.986 -6.376 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.939 -10.799 -7.761 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.776 -10.833 -9.073 1.00 0.00 H new ATOM 784 N GLU A 56 -6.112 -13.804 -8.637 1.00 0.00 N ATOM 785 CA GLU A 56 -6.623 -15.159 -8.727 1.00 0.00 C ATOM 786 C GLU A 56 -7.816 -15.310 -7.775 1.00 0.00 C ATOM 787 O GLU A 56 -8.966 -15.500 -8.167 1.00 0.00 O ATOM 788 CB GLU A 56 -5.450 -16.066 -8.319 1.00 0.00 C ATOM 789 CG GLU A 56 -5.765 -17.544 -8.438 1.00 0.00 C ATOM 790 CD GLU A 56 -5.712 -18.023 -9.886 1.00 0.00 C ATOM 791 OE1 GLU A 56 -4.721 -17.740 -10.597 1.00 0.00 O ATOM 792 OE2 GLU A 56 -6.723 -18.571 -10.367 1.00 0.00 O ATOM 0 H GLU A 56 -5.110 -13.783 -8.448 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.978 -15.418 -9.725 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.587 -15.834 -8.943 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.169 -15.843 -7.290 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.055 -18.116 -7.840 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.756 -17.738 -8.028 1.00 0.00 H new ATOM 799 N ASP A 57 -7.509 -15.196 -6.490 1.00 0.00 N ATOM 800 CA ASP A 57 -8.339 -15.469 -5.336 1.00 0.00 C ATOM 801 C ASP A 57 -8.928 -14.170 -4.784 1.00 0.00 C ATOM 802 O ASP A 57 -8.589 -13.747 -3.686 1.00 0.00 O ATOM 803 CB ASP A 57 -7.492 -16.245 -4.301 1.00 0.00 C ATOM 804 CG ASP A 57 -6.216 -15.552 -3.792 1.00 0.00 C ATOM 805 OD1 ASP A 57 -5.678 -14.628 -4.451 1.00 0.00 O ATOM 806 OD2 ASP A 57 -5.635 -16.025 -2.790 1.00 0.00 O ATOM 0 H ASP A 57 -6.581 -14.879 -6.208 1.00 0.00 H new ATOM 0 HA ASP A 57 -9.193 -16.091 -5.606 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.125 -16.467 -3.441 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.207 -17.200 -4.742 1.00 0.00 H new ATOM 811 N LYS A 58 -9.846 -13.530 -5.522 1.00 0.00 N ATOM 812 CA LYS A 58 -10.546 -12.314 -5.075 1.00 0.00 C ATOM 813 C LYS A 58 -11.149 -12.459 -3.658 1.00 0.00 C ATOM 814 O LYS A 58 -10.741 -11.703 -2.774 1.00 0.00 O ATOM 815 CB LYS A 58 -11.586 -11.839 -6.113 1.00 0.00 C ATOM 816 CG LYS A 58 -11.038 -11.517 -7.515 1.00 0.00 C ATOM 817 CD LYS A 58 -10.229 -10.218 -7.593 1.00 0.00 C ATOM 818 CE LYS A 58 -9.760 -9.903 -9.020 1.00 0.00 C ATOM 819 NZ LYS A 58 -10.868 -9.734 -9.981 1.00 0.00 N ATOM 0 H LYS A 58 -10.126 -13.842 -6.452 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.793 -11.530 -4.999 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.351 -12.609 -6.211 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.079 -10.948 -5.723 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -10.409 -12.344 -7.845 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.873 -11.454 -8.213 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.837 -9.392 -7.223 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.362 -10.294 -6.937 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.161 -8.992 -9.004 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.109 -10.706 -9.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.496 -9.360 -10.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.323 -10.654 -10.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.567 -9.069 -9.592 1.00 0.00 H new ATOM 833 N PRO A 59 -12.052 -13.422 -3.377 1.00 0.00 N ATOM 834 CA PRO A 59 -12.527 -13.680 -2.017 1.00 0.00 C ATOM 835 C PRO A 59 -11.363 -14.091 -1.115 1.00 0.00 C ATOM 836 O PRO A 59 -11.179 -13.540 -0.030 1.00 0.00 O ATOM 837 CB PRO A 59 -13.567 -14.800 -2.136 1.00 0.00 C ATOM 838 CG PRO A 59 -13.193 -15.502 -3.438 1.00 0.00 C ATOM 839 CD PRO A 59 -12.636 -14.379 -4.298 1.00 0.00 C ATOM 0 HA PRO A 59 -12.967 -12.791 -1.566 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.521 -15.481 -1.286 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -14.581 -14.403 -2.172 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -12.454 -16.286 -3.273 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -14.059 -15.973 -3.904 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.888 -14.756 -4.995 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -13.423 -13.917 -4.894 1.00 0.00 H new ATOM 847 N GLY A 60 -10.545 -15.041 -1.578 1.00 0.00 N ATOM 848 CA GLY A 60 -9.390 -15.573 -0.880 1.00 0.00 C ATOM 849 C GLY A 60 -8.224 -14.613 -0.767 1.00 0.00 C ATOM 850 O GLY A 60 -7.116 -15.089 -0.571 1.00 0.00 O ATOM 0 H GLY A 60 -10.684 -15.474 -2.491 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.694 -15.874 0.122 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.054 -16.473 -1.394 1.00 0.00 H new ATOM 854 N PHE A 61 -8.458 -13.304 -0.810 1.00 0.00 N ATOM 855 CA PHE A 61 -7.499 -12.243 -0.572 1.00 0.00 C ATOM 856 C PHE A 61 -8.005 -11.379 0.581 1.00 0.00 C ATOM 857 O PHE A 61 -7.292 -11.120 1.553 1.00 0.00 O ATOM 858 CB PHE A 61 -7.362 -11.418 -1.855 1.00 0.00 C ATOM 859 CG PHE A 61 -6.659 -10.096 -1.670 1.00 0.00 C ATOM 860 CD1 PHE A 61 -5.291 -10.083 -1.352 1.00 0.00 C ATOM 861 CD2 PHE A 61 -7.362 -8.886 -1.831 1.00 0.00 C ATOM 862 CE1 PHE A 61 -4.609 -8.863 -1.275 1.00 0.00 C ATOM 863 CE2 PHE A 61 -6.671 -7.664 -1.760 1.00 0.00 C ATOM 864 CZ PHE A 61 -5.284 -7.667 -1.532 1.00 0.00 C ATOM 0 H PHE A 61 -9.385 -12.938 -1.027 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.522 -12.646 -0.305 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -6.818 -12.005 -2.595 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -8.356 -11.234 -2.263 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.768 -11.010 -1.168 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -8.427 -8.897 -2.008 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.560 -8.846 -1.017 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.201 -6.731 -1.880 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.735 -6.737 -1.556 1.00 0.00 H new ATOM 874 N LEU A 62 -9.289 -11.018 0.530 1.00 0.00 N ATOM 875 CA LEU A 62 -10.016 -10.251 1.539 1.00 0.00 C ATOM 876 C LEU A 62 -9.974 -10.920 2.926 1.00 0.00 C ATOM 877 O LEU A 62 -10.234 -10.273 3.945 1.00 0.00 O ATOM 878 CB LEU A 62 -11.463 -10.064 1.053 1.00 0.00 C ATOM 879 CG LEU A 62 -11.576 -9.268 -0.266 1.00 0.00 C ATOM 880 CD1 LEU A 62 -12.933 -9.516 -0.923 1.00 0.00 C ATOM 881 CD2 LEU A 62 -11.379 -7.761 -0.069 1.00 0.00 C ATOM 0 H LEU A 62 -9.881 -11.268 -0.262 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.534 -9.281 1.662 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -11.921 -11.044 0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -12.034 -9.551 1.827 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.774 -9.625 -0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -12.997 -8.948 -1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -13.044 -10.579 -1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -13.728 -9.198 -0.248 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.469 -7.254 -1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -12.138 -7.381 0.615 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.389 -7.575 0.348 1.00 0.00 H new ATOM 893 N LYS A 63 -9.570 -12.197 2.990 1.00 0.00 N ATOM 894 CA LYS A 63 -9.327 -13.005 4.178 1.00 0.00 C ATOM 895 C LYS A 63 -8.259 -12.424 5.088 1.00 0.00 C ATOM 896 O LYS A 63 -8.068 -12.900 6.202 1.00 0.00 O ATOM 897 CB LYS A 63 -9.070 -14.470 3.776 1.00 0.00 C ATOM 898 CG LYS A 63 -8.069 -14.737 2.647 1.00 0.00 C ATOM 899 CD LYS A 63 -6.650 -14.230 2.907 1.00 0.00 C ATOM 900 CE LYS A 63 -5.720 -14.745 1.795 1.00 0.00 C ATOM 901 NZ LYS A 63 -4.276 -14.726 2.078 1.00 0.00 N ATOM 0 H LYS A 63 -9.392 -12.728 2.138 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.229 -12.987 4.790 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.726 -15.005 4.661 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.025 -14.911 3.488 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.027 -15.811 2.466 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.442 -14.274 1.734 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.639 -13.140 2.932 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.300 -14.575 3.880 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.007 -15.770 1.559 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.899 -14.150 0.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.771 -15.261 1.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.937 -13.743 2.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.098 -15.160 3.006 1.00 0.00 H new ATOM 915 N LYS A 64 -7.579 -11.375 4.639 1.00 0.00 N ATOM 916 CA LYS A 64 -6.518 -10.716 5.362 1.00 0.00 C ATOM 917 C LYS A 64 -6.836 -9.259 5.656 1.00 0.00 C ATOM 918 O LYS A 64 -6.050 -8.613 6.348 1.00 0.00 O ATOM 919 CB LYS A 64 -5.243 -10.882 4.533 1.00 0.00 C ATOM 920 CG LYS A 64 -4.514 -12.202 4.811 1.00 0.00 C ATOM 921 CD LYS A 64 -3.458 -12.013 5.910 1.00 0.00 C ATOM 922 CE LYS A 64 -2.776 -13.327 6.306 1.00 0.00 C ATOM 923 NZ LYS A 64 -1.652 -13.673 5.412 1.00 0.00 N ATOM 0 H LYS A 64 -7.764 -10.952 3.730 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.390 -11.171 6.344 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.496 -10.829 3.474 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.570 -10.051 4.742 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.232 -12.963 5.116 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.037 -12.560 3.898 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.703 -11.306 5.565 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.929 -11.573 6.789 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.411 -13.249 7.330 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -3.510 -14.133 6.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.225 -14.569 5.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.002 -13.775 4.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.937 -12.919 5.446 1.00 0.00 H new ATOM 937 N LEU A 65 -7.962 -8.731 5.168 1.00 0.00 N ATOM 938 CA LEU A 65 -8.348 -7.340 5.363 1.00 0.00 C ATOM 939 C LEU A 65 -9.545 -7.283 6.304 1.00 0.00 C ATOM 940 O LEU A 65 -9.528 -6.466 7.217 1.00 0.00 O ATOM 941 CB LEU A 65 -8.632 -6.631 4.030 1.00 0.00 C ATOM 942 CG LEU A 65 -7.392 -6.366 3.143 1.00 0.00 C ATOM 943 CD1 LEU A 65 -6.905 -7.591 2.353 1.00 0.00 C ATOM 944 CD2 LEU A 65 -7.731 -5.262 2.144 1.00 0.00 C ATOM 0 H LEU A 65 -8.635 -9.267 4.621 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.515 -6.802 5.816 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.342 -7.232 3.462 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.118 -5.678 4.241 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.586 -6.086 3.822 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.033 -7.318 1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.636 -8.388 3.046 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.700 -7.938 1.693 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.865 -5.065 1.512 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.569 -5.578 1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.001 -4.354 2.683 1.00 0.00 H new ATOM 956 N SER A 66 -10.508 -8.205 6.211 1.00 0.00 N ATOM 957 CA SER A 66 -11.717 -8.191 7.038 1.00 0.00 C ATOM 958 C SER A 66 -11.467 -8.266 8.555 1.00 0.00 C ATOM 959 O SER A 66 -12.412 -8.143 9.329 1.00 0.00 O ATOM 960 CB SER A 66 -12.625 -9.357 6.617 1.00 0.00 C ATOM 961 OG SER A 66 -13.978 -8.958 6.554 1.00 0.00 O ATOM 0 H SER A 66 -10.470 -8.986 5.556 1.00 0.00 H new ATOM 0 HA SER A 66 -12.187 -7.223 6.864 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.309 -9.733 5.644 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.519 -10.178 7.326 1.00 0.00 H new ATOM 0 HG SER A 66 -14.531 -9.720 6.282 1.00 0.00 H new ATOM 967 N LEU A 67 -10.229 -8.503 8.995 1.00 0.00 N ATOM 968 CA LEU A 67 -9.828 -8.627 10.392 1.00 0.00 C ATOM 969 C LEU A 67 -8.601 -7.768 10.724 1.00 0.00 C ATOM 970 O LEU A 67 -7.948 -7.969 11.747 1.00 0.00 O ATOM 971 CB LEU A 67 -9.700 -10.110 10.784 1.00 0.00 C ATOM 972 CG LEU A 67 -9.050 -11.140 9.831 1.00 0.00 C ATOM 973 CD1 LEU A 67 -9.980 -11.622 8.708 1.00 0.00 C ATOM 974 CD2 LEU A 67 -7.732 -10.668 9.218 1.00 0.00 C ATOM 0 H LEU A 67 -9.444 -8.619 8.354 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.616 -8.214 11.022 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.140 -10.144 11.719 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.706 -10.469 11.002 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.841 -11.983 10.489 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.452 -12.342 8.082 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -10.860 -12.096 9.143 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.289 -10.771 8.101 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.337 -11.444 8.562 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.904 -9.759 8.642 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.014 -10.464 10.012 1.00 0.00 H new ATOM 986 N LYS A 68 -8.285 -6.797 9.865 1.00 0.00 N ATOM 987 CA LYS A 68 -7.146 -5.888 9.967 1.00 0.00 C ATOM 988 C LYS A 68 -7.513 -4.405 10.053 1.00 0.00 C ATOM 989 O LYS A 68 -6.614 -3.584 10.238 1.00 0.00 O ATOM 990 CB LYS A 68 -6.236 -6.123 8.754 1.00 0.00 C ATOM 991 CG LYS A 68 -4.934 -6.839 9.116 1.00 0.00 C ATOM 992 CD LYS A 68 -5.147 -8.258 9.654 1.00 0.00 C ATOM 993 CE LYS A 68 -3.814 -8.991 9.807 1.00 0.00 C ATOM 994 NZ LYS A 68 -3.977 -10.296 10.487 1.00 0.00 N ATOM 0 H LYS A 68 -8.849 -6.615 9.035 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.646 -6.115 10.909 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.774 -6.712 8.011 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.001 -5.164 8.291 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.296 -6.885 8.233 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.401 -6.251 9.864 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.654 -8.213 10.618 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.796 -8.814 8.978 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.370 -9.147 8.824 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.121 -8.370 10.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.051 -10.762 10.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.377 -10.146 11.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.618 -10.899 9.933 1.00 0.00 H new ATOM 1008 N PHE A 69 -8.780 -4.034 9.890 1.00 0.00 N ATOM 1009 CA PHE A 69 -9.235 -2.644 9.943 1.00 0.00 C ATOM 1010 C PHE A 69 -10.433 -2.593 10.878 1.00 0.00 C ATOM 1011 O PHE A 69 -11.240 -3.525 10.868 1.00 0.00 O ATOM 1012 CB PHE A 69 -9.626 -2.135 8.545 1.00 0.00 C ATOM 1013 CG PHE A 69 -8.560 -2.217 7.473 1.00 0.00 C ATOM 1014 CD1 PHE A 69 -8.165 -3.461 6.948 1.00 0.00 C ATOM 1015 CD2 PHE A 69 -8.016 -1.042 6.936 1.00 0.00 C ATOM 1016 CE1 PHE A 69 -7.191 -3.545 5.947 1.00 0.00 C ATOM 1017 CE2 PHE A 69 -7.068 -1.121 5.907 1.00 0.00 C ATOM 1018 CZ PHE A 69 -6.644 -2.367 5.430 1.00 0.00 C ATOM 0 H PHE A 69 -9.533 -4.700 9.715 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.432 -2.002 10.305 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -10.494 -2.701 8.207 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.939 -1.095 8.636 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -8.621 -4.365 7.323 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.326 -0.079 7.314 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.866 -4.507 5.579 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.662 -0.216 5.480 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.890 -2.418 4.658 1.00 0.00 H new ATOM 1028 N LYS A 70 -10.550 -1.536 11.684 1.00 0.00 N ATOM 1029 CA LYS A 70 -11.657 -1.368 12.615 1.00 0.00 C ATOM 1030 C LYS A 70 -12.912 -1.013 11.843 1.00 0.00 C ATOM 1031 O LYS A 70 -13.875 -1.771 11.877 1.00 0.00 O ATOM 1032 CB LYS A 70 -11.323 -0.277 13.640 1.00 0.00 C ATOM 1033 CG LYS A 70 -12.419 -0.148 14.709 1.00 0.00 C ATOM 1034 CD LYS A 70 -12.318 1.186 15.448 1.00 0.00 C ATOM 1035 CE LYS A 70 -12.957 2.324 14.639 1.00 0.00 C ATOM 1036 NZ LYS A 70 -12.904 3.627 15.335 1.00 0.00 N ATOM 0 H LYS A 70 -9.875 -0.772 11.706 1.00 0.00 H new ATOM 0 HA LYS A 70 -11.825 -2.300 13.154 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.372 -0.507 14.120 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.199 0.678 13.128 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -13.399 -0.233 14.240 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.334 -0.968 15.421 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.811 1.105 16.417 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.271 1.418 15.641 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -12.448 2.410 13.679 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.996 2.073 14.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -13.350 4.356 14.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.413 3.558 16.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.913 3.885 15.514 1.00 0.00 H new ATOM 1050 N ASP A 71 -12.892 0.121 11.149 1.00 0.00 N ATOM 1051 CA ASP A 71 -14.050 0.719 10.507 1.00 0.00 C ATOM 1052 C ASP A 71 -13.801 0.712 8.994 1.00 0.00 C ATOM 1053 O ASP A 71 -13.487 1.740 8.393 1.00 0.00 O ATOM 1054 CB ASP A 71 -14.250 2.119 11.102 1.00 0.00 C ATOM 1055 CG ASP A 71 -15.434 2.253 12.038 1.00 0.00 C ATOM 1056 OD1 ASP A 71 -15.651 1.369 12.898 1.00 0.00 O ATOM 1057 OD2 ASP A 71 -16.021 3.356 12.041 1.00 0.00 O ATOM 0 H ASP A 71 -12.039 0.664 11.016 1.00 0.00 H new ATOM 0 HA ASP A 71 -14.973 0.166 10.682 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -13.346 2.401 11.641 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -14.369 2.831 10.285 1.00 0.00 H new ATOM 1062 N PRO A 72 -13.873 -0.453 8.330 1.00 0.00 N ATOM 1063 CA PRO A 72 -13.656 -0.539 6.891 1.00 0.00 C ATOM 1064 C PRO A 72 -14.769 0.217 6.163 1.00 0.00 C ATOM 1065 O PRO A 72 -14.540 0.866 5.143 1.00 0.00 O ATOM 1066 CB PRO A 72 -13.668 -2.040 6.598 1.00 0.00 C ATOM 1067 CG PRO A 72 -14.592 -2.619 7.651 1.00 0.00 C ATOM 1068 CD PRO A 72 -14.245 -1.754 8.864 1.00 0.00 C ATOM 0 HA PRO A 72 -12.723 -0.087 6.554 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -14.033 -2.246 5.592 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -12.668 -2.467 6.668 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.641 -2.531 7.370 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -14.398 -3.676 7.831 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.095 -1.670 9.541 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.426 -2.191 9.435 1.00 0.00 H new ATOM 1076 N GLU A 73 -15.952 0.181 6.772 1.00 0.00 N ATOM 1077 CA GLU A 73 -17.195 0.832 6.434 1.00 0.00 C ATOM 1078 C GLU A 73 -17.032 2.302 6.033 1.00 0.00 C ATOM 1079 O GLU A 73 -17.785 2.739 5.162 1.00 0.00 O ATOM 1080 CB GLU A 73 -18.170 0.659 7.617 1.00 0.00 C ATOM 1081 CG GLU A 73 -17.571 1.040 8.984 1.00 0.00 C ATOM 1082 CD GLU A 73 -18.594 0.910 10.110 1.00 0.00 C ATOM 1083 OE1 GLU A 73 -19.451 1.811 10.250 1.00 0.00 O ATOM 1084 OE2 GLU A 73 -18.544 -0.074 10.880 1.00 0.00 O ATOM 0 H GLU A 73 -16.064 -0.378 7.618 1.00 0.00 H new ATOM 0 HA GLU A 73 -17.600 0.354 5.542 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -19.055 1.269 7.437 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -18.500 -0.379 7.653 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -16.714 0.400 9.196 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -17.202 2.065 8.946 1.00 0.00 H new ATOM 1091 N ASN A 74 -16.068 3.041 6.601 1.00 0.00 N ATOM 1092 CA ASN A 74 -15.791 4.444 6.269 1.00 0.00 C ATOM 1093 C ASN A 74 -14.314 4.729 5.975 1.00 0.00 C ATOM 1094 O ASN A 74 -14.018 5.813 5.474 1.00 0.00 O ATOM 1095 CB ASN A 74 -16.332 5.406 7.339 1.00 0.00 C ATOM 1096 CG ASN A 74 -15.713 5.201 8.713 1.00 0.00 C ATOM 1097 OD1 ASN A 74 -14.530 5.450 8.936 1.00 0.00 O ATOM 1098 ND2 ASN A 74 -16.505 4.716 9.649 1.00 0.00 N ATOM 0 H ASN A 74 -15.446 2.671 7.320 1.00 0.00 H new ATOM 0 HA ASN A 74 -16.330 4.627 5.339 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -16.151 6.432 7.018 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -17.412 5.281 7.414 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -16.140 4.539 10.585 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -17.483 4.518 9.437 1.00 0.00 H new ATOM 1105 N THR A 75 -13.384 3.802 6.217 1.00 0.00 N ATOM 1106 CA THR A 75 -11.981 3.988 5.871 1.00 0.00 C ATOM 1107 C THR A 75 -11.788 4.142 4.355 1.00 0.00 C ATOM 1108 O THR A 75 -12.182 3.275 3.569 1.00 0.00 O ATOM 1109 CB THR A 75 -11.154 2.833 6.470 1.00 0.00 C ATOM 1110 OG1 THR A 75 -10.744 3.171 7.781 1.00 0.00 O ATOM 1111 CG2 THR A 75 -9.873 2.504 5.702 1.00 0.00 C ATOM 0 H THR A 75 -13.586 2.905 6.658 1.00 0.00 H new ATOM 0 HA THR A 75 -11.620 4.921 6.304 1.00 0.00 H new ATOM 0 HB THR A 75 -11.816 1.968 6.430 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.185 3.975 7.752 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.355 1.680 6.194 1.00 0.00 H new ATOM 0 HG22 THR A 75 -10.124 2.217 4.681 1.00 0.00 H new ATOM 0 HG23 THR A 75 -9.225 3.380 5.683 1.00 0.00 H new ATOM 1119 N THR A 76 -11.047 5.182 3.965 1.00 0.00 N ATOM 1120 CA THR A 76 -10.390 5.269 2.673 1.00 0.00 C ATOM 1121 C THR A 76 -9.089 4.454 2.722 1.00 0.00 C ATOM 1122 O THR A 76 -8.163 4.816 3.451 1.00 0.00 O ATOM 1123 CB THR A 76 -10.060 6.733 2.349 1.00 0.00 C ATOM 1124 OG1 THR A 76 -11.071 7.633 2.754 1.00 0.00 O ATOM 1125 CG2 THR A 76 -9.805 6.913 0.860 1.00 0.00 C ATOM 0 H THR A 76 -10.888 5.999 4.555 1.00 0.00 H new ATOM 0 HA THR A 76 -11.052 4.875 1.902 1.00 0.00 H new ATOM 0 HB THR A 76 -9.159 6.967 2.917 1.00 0.00 H new ATOM 0 HG1 THR A 76 -10.806 8.548 2.524 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.573 7.958 0.654 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.965 6.288 0.557 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.694 6.622 0.301 1.00 0.00 H new ATOM 1133 N LEU A 77 -8.967 3.356 1.978 1.00 0.00 N ATOM 1134 CA LEU A 77 -7.682 2.672 1.828 1.00 0.00 C ATOM 1135 C LEU A 77 -6.869 3.285 0.684 1.00 0.00 C ATOM 1136 O LEU A 77 -7.430 3.858 -0.247 1.00 0.00 O ATOM 1137 CB LEU A 77 -7.931 1.183 1.556 1.00 0.00 C ATOM 1138 CG LEU A 77 -7.284 0.205 2.539 1.00 0.00 C ATOM 1139 CD1 LEU A 77 -7.381 -1.217 1.992 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -5.808 0.454 2.801 1.00 0.00 C ATOM 0 H LEU A 77 -9.738 2.922 1.471 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.111 2.787 2.749 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.007 1.009 1.556 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.571 0.952 0.554 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.830 0.350 3.471 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.919 -1.910 2.695 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.429 -1.484 1.856 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.864 -1.274 1.034 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.434 -0.286 3.509 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.254 0.374 1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.676 1.453 3.217 1.00 0.00 H new ATOM 1152 N TYR A 78 -5.560 3.059 0.690 1.00 0.00 N ATOM 1153 CA TYR A 78 -4.633 3.403 -0.378 1.00 0.00 C ATOM 1154 C TYR A 78 -3.771 2.164 -0.600 1.00 0.00 C ATOM 1155 O TYR A 78 -3.083 1.738 0.330 1.00 0.00 O ATOM 1156 CB TYR A 78 -3.781 4.620 0.031 1.00 0.00 C ATOM 1157 CG TYR A 78 -4.536 5.938 0.095 1.00 0.00 C ATOM 1158 CD1 TYR A 78 -5.392 6.213 1.179 1.00 0.00 C ATOM 1159 CD2 TYR A 78 -4.427 6.870 -0.957 1.00 0.00 C ATOM 1160 CE1 TYR A 78 -6.207 7.357 1.169 1.00 0.00 C ATOM 1161 CE2 TYR A 78 -5.236 8.020 -0.970 1.00 0.00 C ATOM 1162 CZ TYR A 78 -6.158 8.248 0.074 1.00 0.00 C ATOM 1163 OH TYR A 78 -6.993 9.320 0.025 1.00 0.00 O ATOM 0 H TYR A 78 -5.096 2.609 1.479 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.150 3.681 -1.296 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.339 4.424 1.008 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.958 4.723 -0.676 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.422 5.540 2.023 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.720 6.700 -1.755 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -6.871 7.555 1.998 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -5.152 8.730 -1.780 1.00 0.00 H new ATOM 0 HH TYR A 78 -6.825 9.828 -0.796 1.00 0.00 H new ATOM 1173 N ILE A 79 -3.826 1.545 -1.777 1.00 0.00 N ATOM 1174 CA ILE A 79 -2.975 0.409 -2.103 1.00 0.00 C ATOM 1175 C ILE A 79 -1.609 0.917 -2.573 1.00 0.00 C ATOM 1176 O ILE A 79 -1.536 1.924 -3.278 1.00 0.00 O ATOM 1177 CB ILE A 79 -3.675 -0.482 -3.147 1.00 0.00 C ATOM 1178 CG1 ILE A 79 -4.946 -1.115 -2.534 1.00 0.00 C ATOM 1179 CG2 ILE A 79 -2.751 -1.618 -3.612 1.00 0.00 C ATOM 1180 CD1 ILE A 79 -6.218 -0.317 -2.798 1.00 0.00 C ATOM 0 H ILE A 79 -4.460 1.818 -2.528 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.805 -0.209 -1.221 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.933 0.148 -3.998 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.069 -2.121 -2.935 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.808 -1.216 -1.457 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.270 -2.231 -4.348 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.852 -1.195 -4.061 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.474 -2.235 -2.757 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.067 -0.823 -2.338 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.116 0.681 -2.373 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.382 -0.238 -3.873 1.00 0.00 H new ATOM 1192 N LEU A 80 -0.542 0.190 -2.223 1.00 0.00 N ATOM 1193 CA LEU A 80 0.836 0.444 -2.625 1.00 0.00 C ATOM 1194 C LEU A 80 1.416 -0.866 -3.156 1.00 0.00 C ATOM 1195 O LEU A 80 1.413 -1.861 -2.433 1.00 0.00 O ATOM 1196 CB LEU A 80 1.629 0.967 -1.413 1.00 0.00 C ATOM 1197 CG LEU A 80 2.864 1.816 -1.766 1.00 0.00 C ATOM 1198 CD1 LEU A 80 3.571 2.222 -0.472 1.00 0.00 C ATOM 1199 CD2 LEU A 80 3.879 1.144 -2.678 1.00 0.00 C ATOM 0 H LEU A 80 -0.626 -0.630 -1.622 1.00 0.00 H new ATOM 0 HA LEU A 80 0.891 1.201 -3.407 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.962 1.563 -0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.950 0.116 -0.812 1.00 0.00 H new ATOM 0 HG LEU A 80 2.480 2.670 -2.324 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.448 2.824 -0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.889 2.804 0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.881 1.328 0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.708 1.826 -2.864 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.254 0.239 -2.201 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.403 0.885 -3.624 1.00 0.00 H new ATOM 1211 N ASP A 81 1.877 -0.877 -4.408 1.00 0.00 N ATOM 1212 CA ASP A 81 2.441 -2.046 -5.085 1.00 0.00 C ATOM 1213 C ASP A 81 3.933 -1.857 -5.401 1.00 0.00 C ATOM 1214 O ASP A 81 4.560 -0.915 -4.933 1.00 0.00 O ATOM 1215 CB ASP A 81 1.608 -2.375 -6.330 1.00 0.00 C ATOM 1216 CG ASP A 81 2.012 -1.546 -7.546 1.00 0.00 C ATOM 1217 OD1 ASP A 81 1.435 -0.453 -7.746 1.00 0.00 O ATOM 1218 OD2 ASP A 81 2.881 -2.043 -8.286 1.00 0.00 O ATOM 0 H ASP A 81 1.868 -0.045 -4.998 1.00 0.00 H new ATOM 0 HA ASP A 81 2.390 -2.902 -4.413 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.717 -3.434 -6.565 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.554 -2.203 -6.112 1.00 0.00 H new ATOM 1223 N LYS A 82 4.544 -2.812 -6.102 1.00 0.00 N ATOM 1224 CA LYS A 82 5.949 -2.813 -6.509 1.00 0.00 C ATOM 1225 C LYS A 82 6.234 -1.707 -7.528 1.00 0.00 C ATOM 1226 O LYS A 82 7.087 -0.875 -7.247 1.00 0.00 O ATOM 1227 CB LYS A 82 6.288 -4.200 -7.102 1.00 0.00 C ATOM 1228 CG LYS A 82 6.056 -5.429 -6.197 1.00 0.00 C ATOM 1229 CD LYS A 82 7.152 -5.699 -5.156 1.00 0.00 C ATOM 1230 CE LYS A 82 8.566 -5.849 -5.726 1.00 0.00 C ATOM 1231 NZ LYS A 82 8.674 -6.876 -6.787 1.00 0.00 N ATOM 0 H LYS A 82 4.049 -3.646 -6.417 1.00 0.00 H new ATOM 0 HA LYS A 82 6.575 -2.617 -5.639 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.699 -4.333 -8.010 1.00 0.00 H new ATOM 0 HB3 LYS A 82 7.336 -4.193 -7.400 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.107 -5.301 -5.676 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.955 -6.311 -6.830 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.153 -4.884 -4.432 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.898 -6.608 -4.611 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.890 -4.889 -6.128 1.00 0.00 H new ATOM 0 HE3 LYS A 82 9.250 -6.103 -4.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.656 -6.923 -7.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.395 -7.802 -6.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.047 -6.625 -7.578 1.00 0.00 H new ATOM 1245 N PHE A 83 5.644 -1.777 -8.721 1.00 0.00 N ATOM 1246 CA PHE A 83 5.921 -0.947 -9.888 1.00 0.00 C ATOM 1247 C PHE A 83 4.591 -0.680 -10.589 1.00 0.00 C ATOM 1248 O PHE A 83 4.107 0.449 -10.585 1.00 0.00 O ATOM 1249 CB PHE A 83 6.885 -1.659 -10.859 1.00 0.00 C ATOM 1250 CG PHE A 83 8.369 -1.572 -10.557 1.00 0.00 C ATOM 1251 CD1 PHE A 83 9.113 -0.473 -11.029 1.00 0.00 C ATOM 1252 CD2 PHE A 83 9.031 -2.630 -9.902 1.00 0.00 C ATOM 1253 CE1 PHE A 83 10.508 -0.429 -10.845 1.00 0.00 C ATOM 1254 CE2 PHE A 83 10.424 -2.585 -9.719 1.00 0.00 C ATOM 1255 CZ PHE A 83 11.164 -1.487 -10.192 1.00 0.00 C ATOM 0 H PHE A 83 4.911 -2.462 -8.908 1.00 0.00 H new ATOM 0 HA PHE A 83 6.395 -0.017 -9.574 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.610 -2.713 -10.895 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.720 -1.252 -11.857 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.611 0.339 -11.534 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.467 -3.477 -9.540 1.00 0.00 H new ATOM 0 HE1 PHE A 83 11.074 0.417 -11.205 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.927 -3.396 -9.214 1.00 0.00 H new ATOM 0 HZ PHE A 83 12.235 -1.456 -10.054 1.00 0.00 H new ATOM 1265 N ASP A 84 3.999 -1.720 -11.186 1.00 0.00 N ATOM 1266 CA ASP A 84 2.680 -1.677 -11.828 1.00 0.00 C ATOM 1267 C ASP A 84 1.682 -2.529 -11.057 1.00 0.00 C ATOM 1268 O ASP A 84 0.501 -2.181 -10.990 1.00 0.00 O ATOM 1269 CB ASP A 84 2.739 -2.260 -13.243 1.00 0.00 C ATOM 1270 CG ASP A 84 3.138 -1.255 -14.307 1.00 0.00 C ATOM 1271 OD1 ASP A 84 4.224 -0.644 -14.225 1.00 0.00 O ATOM 1272 OD2 ASP A 84 2.410 -1.185 -15.325 1.00 0.00 O ATOM 0 H ASP A 84 4.436 -2.640 -11.238 1.00 0.00 H new ATOM 0 HA ASP A 84 2.376 -0.630 -11.850 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.448 -3.088 -13.255 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.763 -2.673 -13.496 1.00 0.00 H new ATOM 1277 N GLY A 85 2.158 -3.677 -10.557 1.00 0.00 N ATOM 1278 CA GLY A 85 1.450 -4.650 -9.747 1.00 0.00 C ATOM 1279 C GLY A 85 0.009 -4.809 -10.199 1.00 0.00 C ATOM 1280 O GLY A 85 -0.242 -5.355 -11.275 1.00 0.00 O ATOM 0 H GLY A 85 3.123 -3.962 -10.727 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.959 -5.612 -9.805 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.472 -4.340 -8.702 1.00 0.00 H new ATOM 1284 N ASN A 86 -0.931 -4.357 -9.368 1.00 0.00 N ATOM 1285 CA ASN A 86 -2.370 -4.360 -9.632 1.00 0.00 C ATOM 1286 C ASN A 86 -3.065 -3.251 -8.839 1.00 0.00 C ATOM 1287 O ASN A 86 -4.251 -3.376 -8.550 1.00 0.00 O ATOM 1288 CB ASN A 86 -2.987 -5.701 -9.214 1.00 0.00 C ATOM 1289 CG ASN A 86 -2.451 -6.914 -9.948 1.00 0.00 C ATOM 1290 OD1 ASN A 86 -1.694 -7.699 -9.377 1.00 0.00 O ATOM 1291 ND2 ASN A 86 -2.837 -7.100 -11.194 1.00 0.00 N ATOM 0 H ASN A 86 -0.701 -3.963 -8.456 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.510 -4.198 -10.701 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.823 -5.841 -8.146 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.065 -5.650 -9.367 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -2.508 -7.913 -11.714 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -3.465 -6.431 -11.639 1.00 0.00 H new ATOM 1298 N SER A 87 -2.333 -2.251 -8.349 1.00 0.00 N ATOM 1299 CA SER A 87 -2.796 -1.331 -7.313 1.00 0.00 C ATOM 1300 C SER A 87 -4.188 -0.756 -7.612 1.00 0.00 C ATOM 1301 O SER A 87 -5.063 -0.787 -6.749 1.00 0.00 O ATOM 1302 CB SER A 87 -1.721 -0.253 -7.102 1.00 0.00 C ATOM 1303 OG SER A 87 -1.088 0.090 -8.326 1.00 0.00 O ATOM 0 H SER A 87 -1.384 -2.055 -8.668 1.00 0.00 H new ATOM 0 HA SER A 87 -2.930 -1.875 -6.378 1.00 0.00 H new ATOM 0 HB2 SER A 87 -2.175 0.636 -6.663 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.976 -0.613 -6.393 1.00 0.00 H new ATOM 0 HG SER A 87 -0.115 0.073 -8.207 1.00 0.00 H new ATOM 1309 N GLU A 88 -4.420 -0.310 -8.845 1.00 0.00 N ATOM 1310 CA GLU A 88 -5.652 0.344 -9.285 1.00 0.00 C ATOM 1311 C GLU A 88 -6.799 -0.648 -9.511 1.00 0.00 C ATOM 1312 O GLU A 88 -7.948 -0.241 -9.664 1.00 0.00 O ATOM 1313 CB GLU A 88 -5.358 1.085 -10.594 1.00 0.00 C ATOM 1314 CG GLU A 88 -4.369 2.238 -10.366 1.00 0.00 C ATOM 1315 CD GLU A 88 -3.605 2.657 -11.618 1.00 0.00 C ATOM 1316 OE1 GLU A 88 -3.193 1.765 -12.402 1.00 0.00 O ATOM 1317 OE2 GLU A 88 -3.340 3.874 -11.751 1.00 0.00 O ATOM 0 H GLU A 88 -3.731 -0.397 -9.592 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.973 1.028 -8.500 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.948 0.389 -11.325 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.286 1.475 -11.011 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.914 3.100 -9.980 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.654 1.943 -9.598 1.00 0.00 H new ATOM 1324 N LEU A 89 -6.513 -1.950 -9.591 1.00 0.00 N ATOM 1325 CA LEU A 89 -7.532 -2.996 -9.592 1.00 0.00 C ATOM 1326 C LEU A 89 -8.033 -3.116 -8.155 1.00 0.00 C ATOM 1327 O LEU A 89 -9.227 -3.013 -7.871 1.00 0.00 O ATOM 1328 CB LEU A 89 -6.904 -4.307 -10.106 1.00 0.00 C ATOM 1329 CG LEU A 89 -7.853 -5.483 -10.379 1.00 0.00 C ATOM 1330 CD1 LEU A 89 -8.642 -5.948 -9.158 1.00 0.00 C ATOM 1331 CD2 LEU A 89 -8.826 -5.201 -11.530 1.00 0.00 C ATOM 0 H LEU A 89 -5.560 -2.308 -9.657 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.371 -2.766 -10.249 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.368 -4.085 -11.029 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -6.162 -4.634 -9.377 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.183 -6.294 -10.664 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.287 -6.781 -9.437 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -7.951 -6.270 -8.379 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.252 -5.126 -8.784 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -9.473 -6.065 -11.680 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -9.435 -4.330 -11.287 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -8.263 -5.007 -12.443 1.00 0.00 H new ATOM 1343 N VAL A 90 -7.094 -3.323 -7.229 1.00 0.00 N ATOM 1344 CA VAL A 90 -7.393 -3.478 -5.816 1.00 0.00 C ATOM 1345 C VAL A 90 -8.094 -2.210 -5.287 1.00 0.00 C ATOM 1346 O VAL A 90 -8.964 -2.332 -4.425 1.00 0.00 O ATOM 1347 CB VAL A 90 -6.105 -3.863 -5.051 1.00 0.00 C ATOM 1348 CG1 VAL A 90 -6.414 -4.344 -3.628 1.00 0.00 C ATOM 1349 CG2 VAL A 90 -5.353 -5.029 -5.711 1.00 0.00 C ATOM 0 H VAL A 90 -6.100 -3.387 -7.447 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.095 -4.296 -5.653 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.504 -2.954 -5.055 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.484 -4.605 -3.122 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.916 -3.549 -3.076 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.061 -5.220 -3.673 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.457 -5.258 -5.133 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -5.998 -5.907 -5.743 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.069 -4.751 -6.726 1.00 0.00 H new ATOM 1359 N ALA A 91 -7.815 -1.029 -5.862 1.00 0.00 N ATOM 1360 CA ALA A 91 -8.446 0.246 -5.536 1.00 0.00 C ATOM 1361 C ALA A 91 -9.957 0.288 -5.794 1.00 0.00 C ATOM 1362 O ALA A 91 -10.620 1.146 -5.208 1.00 0.00 O ATOM 1363 CB ALA A 91 -7.764 1.376 -6.312 1.00 0.00 C ATOM 0 H ALA A 91 -7.113 -0.940 -6.597 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.317 0.375 -4.461 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.239 2.325 -6.065 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.709 1.417 -6.042 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.858 1.191 -7.382 1.00 0.00 H new ATOM 1369 N GLU A 92 -10.530 -0.612 -6.604 1.00 0.00 N ATOM 1370 CA GLU A 92 -11.987 -0.753 -6.692 1.00 0.00 C ATOM 1371 C GLU A 92 -12.502 -1.971 -5.952 1.00 0.00 C ATOM 1372 O GLU A 92 -13.593 -1.935 -5.388 1.00 0.00 O ATOM 1373 CB GLU A 92 -12.513 -0.617 -8.131 1.00 0.00 C ATOM 1374 CG GLU A 92 -12.032 -1.686 -9.123 1.00 0.00 C ATOM 1375 CD GLU A 92 -12.757 -1.571 -10.469 1.00 0.00 C ATOM 1376 OE1 GLU A 92 -12.395 -0.703 -11.303 1.00 0.00 O ATOM 1377 OE2 GLU A 92 -13.696 -2.358 -10.729 1.00 0.00 O ATOM 0 H GLU A 92 -10.008 -1.250 -7.205 1.00 0.00 H new ATOM 0 HA GLU A 92 -12.415 0.097 -6.160 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -13.602 -0.639 -8.103 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.223 0.362 -8.512 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.958 -1.584 -9.277 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.200 -2.677 -8.701 1.00 0.00 H new ATOM 1384 N LEU A 93 -11.699 -3.023 -5.874 1.00 0.00 N ATOM 1385 CA LEU A 93 -12.156 -4.300 -5.368 1.00 0.00 C ATOM 1386 C LEU A 93 -12.722 -4.204 -3.951 1.00 0.00 C ATOM 1387 O LEU A 93 -13.813 -4.692 -3.669 1.00 0.00 O ATOM 1388 CB LEU A 93 -10.963 -5.255 -5.443 1.00 0.00 C ATOM 1389 CG LEU A 93 -11.257 -6.694 -4.978 1.00 0.00 C ATOM 1390 CD1 LEU A 93 -12.345 -7.362 -5.820 1.00 0.00 C ATOM 1391 CD2 LEU A 93 -9.968 -7.523 -5.038 1.00 0.00 C ATOM 0 H LEU A 93 -10.720 -3.011 -6.159 1.00 0.00 H new ATOM 0 HA LEU A 93 -12.986 -4.667 -5.972 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -10.605 -5.287 -6.472 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -10.153 -4.850 -4.836 1.00 0.00 H new ATOM 0 HG LEU A 93 -11.625 -6.644 -3.953 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.518 -8.374 -5.455 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.268 -6.787 -5.745 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -12.026 -7.402 -6.862 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.175 -8.541 -4.709 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.594 -7.541 -6.062 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.218 -7.076 -4.386 1.00 0.00 H new ATOM 1403 N VAL A 94 -11.979 -3.596 -3.037 1.00 0.00 N ATOM 1404 CA VAL A 94 -12.345 -3.553 -1.626 1.00 0.00 C ATOM 1405 C VAL A 94 -13.591 -2.707 -1.351 1.00 0.00 C ATOM 1406 O VAL A 94 -14.415 -3.103 -0.522 1.00 0.00 O ATOM 1407 CB VAL A 94 -11.137 -3.077 -0.823 1.00 0.00 C ATOM 1408 CG1 VAL A 94 -10.067 -4.179 -0.818 1.00 0.00 C ATOM 1409 CG2 VAL A 94 -10.508 -1.780 -1.342 1.00 0.00 C ATOM 0 H VAL A 94 -11.104 -3.118 -3.252 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.620 -4.559 -1.310 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.505 -2.864 0.181 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -9.202 -3.844 -0.246 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -10.476 -5.081 -0.363 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.763 -4.395 -1.842 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.657 -1.512 -0.716 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -10.172 -1.924 -2.369 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -11.247 -0.979 -1.311 1.00 0.00 H new ATOM 1419 N ALA A 95 -13.764 -1.592 -2.064 1.00 0.00 N ATOM 1420 CA ALA A 95 -14.919 -0.713 -1.907 1.00 0.00 C ATOM 1421 C ALA A 95 -16.212 -1.426 -2.340 1.00 0.00 C ATOM 1422 O ALA A 95 -17.317 -1.128 -1.889 1.00 0.00 O ATOM 1423 CB ALA A 95 -14.706 0.531 -2.774 1.00 0.00 C ATOM 0 H ALA A 95 -13.101 -1.274 -2.771 1.00 0.00 H new ATOM 0 HA ALA A 95 -15.018 -0.435 -0.858 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -15.561 1.199 -2.668 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.801 1.047 -2.454 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -14.605 0.234 -3.818 1.00 0.00 H new ATOM 1429 N LEU A 96 -16.084 -2.405 -3.234 1.00 0.00 N ATOM 1430 CA LEU A 96 -17.155 -3.264 -3.706 1.00 0.00 C ATOM 1431 C LEU A 96 -17.424 -4.435 -2.763 1.00 0.00 C ATOM 1432 O LEU A 96 -18.388 -5.168 -2.978 1.00 0.00 O ATOM 1433 CB LEU A 96 -16.749 -3.757 -5.101 1.00 0.00 C ATOM 1434 CG LEU A 96 -17.153 -2.777 -6.211 1.00 0.00 C ATOM 1435 CD1 LEU A 96 -16.844 -1.288 -5.994 1.00 0.00 C ATOM 1436 CD2 LEU A 96 -16.510 -3.246 -7.515 1.00 0.00 C ATOM 0 H LEU A 96 -15.187 -2.627 -3.666 1.00 0.00 H new ATOM 0 HA LEU A 96 -18.089 -2.703 -3.744 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -15.670 -3.909 -5.130 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -17.212 -4.726 -5.290 1.00 0.00 H new ATOM 0 HG LEU A 96 -18.243 -2.806 -6.224 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -17.184 -0.716 -6.857 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -17.359 -0.936 -5.100 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.769 -1.154 -5.871 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -16.783 -2.565 -8.321 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -15.426 -3.259 -7.402 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -16.862 -4.250 -7.754 1.00 0.00 H new ATOM 1448 N ASN A 97 -16.578 -4.650 -1.754 1.00 0.00 N ATOM 1449 CA ASN A 97 -16.600 -5.831 -0.892 1.00 0.00 C ATOM 1450 C ASN A 97 -16.758 -5.434 0.581 1.00 0.00 C ATOM 1451 O ASN A 97 -16.493 -6.247 1.473 1.00 0.00 O ATOM 1452 CB ASN A 97 -15.356 -6.704 -1.158 1.00 0.00 C ATOM 1453 CG ASN A 97 -15.514 -7.551 -2.417 1.00 0.00 C ATOM 1454 OD1 ASN A 97 -15.743 -8.754 -2.365 1.00 0.00 O ATOM 1455 ND2 ASN A 97 -15.360 -6.963 -3.587 1.00 0.00 N ATOM 0 H ASN A 97 -15.840 -3.990 -1.508 1.00 0.00 H new ATOM 0 HA ASN A 97 -17.472 -6.439 -1.133 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -14.479 -6.065 -1.258 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -15.180 -7.355 -0.302 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -15.432 -7.509 -4.446 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -15.169 -5.962 -3.634 1.00 0.00 H new ATOM 1462 N GLY A 98 -17.163 -4.186 0.855 1.00 0.00 N ATOM 1463 CA GLY A 98 -17.590 -3.727 2.172 1.00 0.00 C ATOM 1464 C GLY A 98 -17.014 -2.370 2.576 1.00 0.00 C ATOM 1465 O GLY A 98 -17.625 -1.651 3.373 1.00 0.00 O ATOM 0 H GLY A 98 -17.201 -3.454 0.145 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.678 -3.668 2.189 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -17.299 -4.469 2.916 1.00 0.00 H new ATOM 1469 N PHE A 99 -15.827 -2.018 2.075 1.00 0.00 N ATOM 1470 CA PHE A 99 -15.180 -0.766 2.458 1.00 0.00 C ATOM 1471 C PHE A 99 -15.823 0.426 1.751 1.00 0.00 C ATOM 1472 O PHE A 99 -16.680 0.257 0.890 1.00 0.00 O ATOM 1473 CB PHE A 99 -13.680 -0.833 2.150 1.00 0.00 C ATOM 1474 CG PHE A 99 -12.824 -1.630 3.120 1.00 0.00 C ATOM 1475 CD1 PHE A 99 -12.880 -3.032 3.125 1.00 0.00 C ATOM 1476 CD2 PHE A 99 -11.888 -0.969 3.943 1.00 0.00 C ATOM 1477 CE1 PHE A 99 -12.083 -3.770 4.024 1.00 0.00 C ATOM 1478 CE2 PHE A 99 -11.020 -1.709 4.763 1.00 0.00 C ATOM 1479 CZ PHE A 99 -11.141 -3.110 4.835 1.00 0.00 C ATOM 0 H PHE A 99 -15.299 -2.580 1.407 1.00 0.00 H new ATOM 0 HA PHE A 99 -15.313 -0.626 3.531 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -13.555 -1.259 1.155 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -13.294 0.186 2.111 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -13.535 -3.547 2.438 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -11.839 0.110 3.943 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -12.195 -4.842 4.090 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.259 -1.203 5.339 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.514 -3.675 5.509 1.00 0.00 H new ATOM 1489 N LYS A 100 -15.430 1.647 2.138 1.00 0.00 N ATOM 1490 CA LYS A 100 -15.990 2.853 1.542 1.00 0.00 C ATOM 1491 C LYS A 100 -15.449 3.076 0.134 1.00 0.00 C ATOM 1492 O LYS A 100 -16.198 2.937 -0.831 1.00 0.00 O ATOM 1493 CB LYS A 100 -15.797 4.079 2.448 1.00 0.00 C ATOM 1494 CG LYS A 100 -16.321 5.406 1.860 1.00 0.00 C ATOM 1495 CD LYS A 100 -17.839 5.594 1.801 1.00 0.00 C ATOM 1496 CE LYS A 100 -18.607 4.678 0.851 1.00 0.00 C ATOM 1497 NZ LYS A 100 -18.226 4.806 -0.575 1.00 0.00 N ATOM 0 H LYS A 100 -14.729 1.819 2.859 1.00 0.00 H new ATOM 0 HA LYS A 100 -17.066 2.708 1.448 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -16.300 3.895 3.397 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -14.735 4.189 2.666 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -15.902 6.224 2.446 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -15.929 5.505 0.848 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -18.238 5.454 2.806 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -18.043 6.626 1.517 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -18.455 3.645 1.162 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -19.672 4.887 0.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -19.070 4.689 -1.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -17.812 5.746 -0.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -17.528 4.073 -0.815 1.00 0.00 H new ATOM 1511 N SER A 101 -14.209 3.535 0.021 1.00 0.00 N ATOM 1512 CA SER A 101 -13.557 3.888 -1.233 1.00 0.00 C ATOM 1513 C SER A 101 -12.072 3.575 -1.062 1.00 0.00 C ATOM 1514 O SER A 101 -11.585 3.482 0.073 1.00 0.00 O ATOM 1515 CB SER A 101 -13.805 5.369 -1.561 1.00 0.00 C ATOM 1516 OG SER A 101 -15.194 5.624 -1.671 1.00 0.00 O ATOM 0 H SER A 101 -13.607 3.677 0.832 1.00 0.00 H new ATOM 0 HA SER A 101 -13.958 3.318 -2.071 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.374 5.998 -0.782 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.306 5.630 -2.494 1.00 0.00 H new ATOM 0 HG SER A 101 -15.337 6.571 -1.878 1.00 0.00 H new ATOM 1522 N ALA A 102 -11.344 3.341 -2.153 1.00 0.00 N ATOM 1523 CA ALA A 102 -9.908 3.132 -2.087 1.00 0.00 C ATOM 1524 C ALA A 102 -9.208 3.850 -3.235 1.00 0.00 C ATOM 1525 O ALA A 102 -9.855 4.388 -4.135 1.00 0.00 O ATOM 1526 CB ALA A 102 -9.582 1.634 -1.999 1.00 0.00 C ATOM 0 H ALA A 102 -11.732 3.292 -3.095 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.517 3.577 -1.172 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.501 1.499 -1.950 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.041 1.214 -1.104 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.972 1.124 -2.880 1.00 0.00 H new ATOM 1532 N TYR A 103 -7.883 3.907 -3.153 1.00 0.00 N ATOM 1533 CA TYR A 103 -6.968 4.623 -4.028 1.00 0.00 C ATOM 1534 C TYR A 103 -5.792 3.714 -4.339 1.00 0.00 C ATOM 1535 O TYR A 103 -5.602 2.682 -3.698 1.00 0.00 O ATOM 1536 CB TYR A 103 -6.431 5.877 -3.311 1.00 0.00 C ATOM 1537 CG TYR A 103 -7.217 7.140 -3.552 1.00 0.00 C ATOM 1538 CD1 TYR A 103 -8.511 7.236 -3.035 1.00 0.00 C ATOM 1539 CD2 TYR A 103 -6.658 8.220 -4.255 1.00 0.00 C ATOM 1540 CE1 TYR A 103 -9.299 8.382 -3.251 1.00 0.00 C ATOM 1541 CE2 TYR A 103 -7.391 9.406 -4.407 1.00 0.00 C ATOM 1542 CZ TYR A 103 -8.710 9.493 -3.902 1.00 0.00 C ATOM 1543 OH TYR A 103 -9.397 10.660 -4.049 1.00 0.00 O ATOM 0 H TYR A 103 -7.384 3.413 -2.413 1.00 0.00 H new ATOM 0 HA TYR A 103 -7.490 4.916 -4.939 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -6.408 5.681 -2.239 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -5.401 6.043 -3.627 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -8.914 6.416 -2.459 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -5.667 8.137 -4.677 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -10.329 8.413 -2.928 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -6.949 10.253 -4.910 1.00 0.00 H new ATOM 0 HH TYR A 103 -8.836 11.313 -4.518 1.00 0.00 H new ATOM 1553 N ALA A 104 -4.949 4.159 -5.261 1.00 0.00 N ATOM 1554 CA ALA A 104 -3.655 3.587 -5.551 1.00 0.00 C ATOM 1555 C ALA A 104 -2.615 4.713 -5.593 1.00 0.00 C ATOM 1556 O ALA A 104 -2.952 5.906 -5.617 1.00 0.00 O ATOM 1557 CB ALA A 104 -3.770 2.837 -6.879 1.00 0.00 C ATOM 0 H ALA A 104 -5.164 4.964 -5.849 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.332 2.882 -4.785 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -2.807 2.391 -7.130 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -4.521 2.052 -6.790 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.063 3.532 -7.665 1.00 0.00 H new ATOM 1563 N ILE A 105 -1.347 4.322 -5.642 1.00 0.00 N ATOM 1564 CA ILE A 105 -0.198 5.159 -5.947 1.00 0.00 C ATOM 1565 C ILE A 105 0.429 4.552 -7.193 1.00 0.00 C ATOM 1566 O ILE A 105 0.635 3.339 -7.249 1.00 0.00 O ATOM 1567 CB ILE A 105 0.782 5.273 -4.746 1.00 0.00 C ATOM 1568 CG1 ILE A 105 2.260 5.278 -5.209 1.00 0.00 C ATOM 1569 CG2 ILE A 105 0.557 4.247 -3.624 1.00 0.00 C ATOM 1570 CD1 ILE A 105 3.291 5.551 -4.122 1.00 0.00 C ATOM 0 H ILE A 105 -1.080 3.355 -5.459 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.488 6.193 -6.134 1.00 0.00 H new ATOM 0 HB ILE A 105 0.550 6.239 -4.298 1.00 0.00 H new ATOM 0 HG12 ILE A 105 2.483 4.312 -5.661 1.00 0.00 H new ATOM 0 HG13 ILE A 105 2.374 6.030 -5.990 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.289 4.407 -2.832 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -0.448 4.366 -3.219 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.670 3.239 -4.024 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.291 5.531 -4.556 1.00 0.00 H new ATOM 0 HD12 ILE A 105 3.105 6.531 -3.682 1.00 0.00 H new ATOM 0 HD13 ILE A 105 3.216 4.786 -3.349 1.00 0.00 H new ATOM 1582 N LYS A 106 0.722 5.402 -8.180 1.00 0.00 N ATOM 1583 CA LYS A 106 1.373 4.955 -9.396 1.00 0.00 C ATOM 1584 C LYS A 106 2.818 4.629 -9.093 1.00 0.00 C ATOM 1585 O LYS A 106 3.413 5.243 -8.203 1.00 0.00 O ATOM 1586 CB LYS A 106 1.339 6.064 -10.452 1.00 0.00 C ATOM 1587 CG LYS A 106 1.074 5.508 -11.854 1.00 0.00 C ATOM 1588 CD LYS A 106 -0.378 5.041 -12.040 1.00 0.00 C ATOM 1589 CE LYS A 106 -0.662 4.505 -13.442 1.00 0.00 C ATOM 1590 NZ LYS A 106 0.146 3.318 -13.767 1.00 0.00 N ATOM 0 H LYS A 106 0.516 6.401 -8.153 1.00 0.00 H new ATOM 0 HA LYS A 106 0.851 4.075 -9.773 1.00 0.00 H new ATOM 0 HB2 LYS A 106 0.564 6.786 -10.195 1.00 0.00 H new ATOM 0 HB3 LYS A 106 2.288 6.600 -10.447 1.00 0.00 H new ATOM 0 HG2 LYS A 106 1.303 6.275 -12.594 1.00 0.00 H new ATOM 0 HG3 LYS A 106 1.748 4.672 -12.043 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -0.599 4.263 -11.309 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -1.050 5.874 -11.833 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -1.720 4.254 -13.524 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -0.462 5.288 -14.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -0.155 2.934 -14.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 1.150 3.584 -13.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 0.015 2.596 -13.030 1.00 0.00 H new ATOM 1604 N ASP A 107 3.417 3.792 -9.929 1.00 0.00 N ATOM 1605 CA ASP A 107 4.844 3.488 -9.934 1.00 0.00 C ATOM 1606 C ASP A 107 5.243 2.728 -8.657 1.00 0.00 C ATOM 1607 O ASP A 107 6.422 2.454 -8.443 1.00 0.00 O ATOM 1608 CB ASP A 107 5.707 4.750 -10.167 1.00 0.00 C ATOM 1609 CG ASP A 107 5.260 5.676 -11.308 1.00 0.00 C ATOM 1610 OD1 ASP A 107 4.545 5.257 -12.249 1.00 0.00 O ATOM 1611 OD2 ASP A 107 5.726 6.838 -11.334 1.00 0.00 O ATOM 0 H ASP A 107 2.904 3.286 -10.651 1.00 0.00 H new ATOM 0 HA ASP A 107 5.043 2.830 -10.780 1.00 0.00 H new ATOM 0 HB2 ASP A 107 5.725 5.328 -9.243 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.731 4.433 -10.364 1.00 0.00 H new ATOM 1616 N GLY A 108 4.266 2.349 -7.823 1.00 0.00 N ATOM 1617 CA GLY A 108 4.438 1.575 -6.613 1.00 0.00 C ATOM 1618 C GLY A 108 5.494 2.163 -5.683 1.00 0.00 C ATOM 1619 O GLY A 108 5.570 3.379 -5.496 1.00 0.00 O ATOM 0 H GLY A 108 3.290 2.592 -7.993 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.486 1.518 -6.085 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.719 0.555 -6.876 1.00 0.00 H new ATOM 1623 N ALA A 109 6.270 1.292 -5.041 1.00 0.00 N ATOM 1624 CA ALA A 109 7.385 1.661 -4.192 1.00 0.00 C ATOM 1625 C ALA A 109 8.655 1.810 -5.013 1.00 0.00 C ATOM 1626 O ALA A 109 9.417 2.746 -4.774 1.00 0.00 O ATOM 1627 CB ALA A 109 7.612 0.602 -3.107 1.00 0.00 C ATOM 0 H ALA A 109 6.131 0.283 -5.103 1.00 0.00 H new ATOM 0 HA ALA A 109 7.144 2.614 -3.721 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.453 0.898 -2.480 1.00 0.00 H new ATOM 0 HB2 ALA A 109 6.716 0.512 -2.493 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.828 -0.358 -3.575 1.00 0.00 H new ATOM 1633 N GLU A 110 8.914 0.831 -5.884 1.00 0.00 N ATOM 1634 CA GLU A 110 10.202 0.635 -6.518 1.00 0.00 C ATOM 1635 C GLU A 110 10.387 1.492 -7.774 1.00 0.00 C ATOM 1636 O GLU A 110 11.516 1.584 -8.268 1.00 0.00 O ATOM 1637 CB GLU A 110 10.401 -0.837 -6.895 1.00 0.00 C ATOM 1638 CG GLU A 110 10.739 -1.778 -5.734 1.00 0.00 C ATOM 1639 CD GLU A 110 11.494 -2.993 -6.285 1.00 0.00 C ATOM 1640 OE1 GLU A 110 12.694 -2.851 -6.611 1.00 0.00 O ATOM 1641 OE2 GLU A 110 10.895 -4.079 -6.463 1.00 0.00 O ATOM 0 H GLU A 110 8.215 0.144 -6.168 1.00 0.00 H new ATOM 0 HA GLU A 110 10.947 0.945 -5.785 1.00 0.00 H new ATOM 0 HB2 GLU A 110 9.492 -1.196 -7.377 1.00 0.00 H new ATOM 0 HB3 GLU A 110 11.200 -0.899 -7.634 1.00 0.00 H new ATOM 0 HG2 GLU A 110 11.348 -1.260 -4.993 1.00 0.00 H new ATOM 0 HG3 GLU A 110 9.827 -2.098 -5.230 1.00 0.00 H new ATOM 1648 N GLY A 111 9.316 2.088 -8.312 1.00 0.00 N ATOM 1649 CA GLY A 111 9.375 2.837 -9.555 1.00 0.00 C ATOM 1650 C GLY A 111 10.267 4.071 -9.434 1.00 0.00 C ATOM 1651 O GLY A 111 10.428 4.610 -8.336 1.00 0.00 O ATOM 0 H GLY A 111 8.387 2.059 -7.891 1.00 0.00 H new ATOM 0 HA2 GLY A 111 9.752 2.193 -10.349 1.00 0.00 H new ATOM 0 HA3 GLY A 111 8.369 3.143 -9.843 1.00 0.00 H new ATOM 1655 N PRO A 112 10.791 4.592 -10.557 1.00 0.00 N ATOM 1656 CA PRO A 112 11.718 5.717 -10.551 1.00 0.00 C ATOM 1657 C PRO A 112 11.148 7.008 -9.958 1.00 0.00 C ATOM 1658 O PRO A 112 11.923 7.883 -9.561 1.00 0.00 O ATOM 1659 CB PRO A 112 12.229 5.866 -11.989 1.00 0.00 C ATOM 1660 CG PRO A 112 11.243 5.073 -12.842 1.00 0.00 C ATOM 1661 CD PRO A 112 10.655 4.036 -11.892 1.00 0.00 C ATOM 0 HA PRO A 112 12.545 5.510 -9.872 1.00 0.00 H new ATOM 0 HB2 PRO A 112 12.259 6.913 -12.291 1.00 0.00 H new ATOM 0 HB3 PRO A 112 13.242 5.476 -12.091 1.00 0.00 H new ATOM 0 HG2 PRO A 112 10.467 5.718 -13.253 1.00 0.00 H new ATOM 0 HG3 PRO A 112 11.743 4.598 -13.686 1.00 0.00 H new ATOM 0 HD2 PRO A 112 9.609 3.840 -12.128 1.00 0.00 H new ATOM 0 HD3 PRO A 112 11.184 3.087 -11.975 1.00 0.00 H new ATOM 1669 N ARG A 113 9.826 7.102 -9.799 1.00 0.00 N ATOM 1670 CA ARG A 113 9.110 8.160 -9.091 1.00 0.00 C ATOM 1671 C ARG A 113 8.054 7.584 -8.133 1.00 0.00 C ATOM 1672 O ARG A 113 7.143 8.311 -7.732 1.00 0.00 O ATOM 1673 CB ARG A 113 8.494 9.094 -10.143 1.00 0.00 C ATOM 1674 CG ARG A 113 9.519 9.935 -10.913 1.00 0.00 C ATOM 1675 CD ARG A 113 10.171 10.996 -10.018 1.00 0.00 C ATOM 1676 NE ARG A 113 11.018 11.911 -10.801 1.00 0.00 N ATOM 1677 CZ ARG A 113 12.215 12.390 -10.437 1.00 0.00 C ATOM 1678 NH1 ARG A 113 12.746 12.074 -9.258 1.00 0.00 N ATOM 1679 NH2 ARG A 113 12.881 13.207 -11.241 1.00 0.00 N ATOM 0 H ARG A 113 9.193 6.401 -10.184 1.00 0.00 H new ATOM 0 HA ARG A 113 9.798 8.725 -8.462 1.00 0.00 H new ATOM 0 HB2 ARG A 113 7.923 8.496 -10.854 1.00 0.00 H new ATOM 0 HB3 ARG A 113 7.788 9.763 -9.650 1.00 0.00 H new ATOM 0 HG2 ARG A 113 10.289 9.283 -11.324 1.00 0.00 H new ATOM 0 HG3 ARG A 113 9.030 10.422 -11.757 1.00 0.00 H new ATOM 0 HD2 ARG A 113 9.397 11.565 -9.503 1.00 0.00 H new ATOM 0 HD3 ARG A 113 10.772 10.508 -9.251 1.00 0.00 H new ATOM 0 HE ARG A 113 10.659 12.209 -11.708 1.00 0.00 H new ATOM 0 HH11 ARG A 113 12.241 11.460 -8.619 1.00 0.00 H new ATOM 0 HH12 ARG A 113 13.658 12.446 -8.993 1.00 0.00 H new ATOM 0 HH21 ARG A 113 12.482 13.474 -12.141 1.00 0.00 H new ATOM 0 HH22 ARG A 113 13.792 13.569 -10.959 1.00 0.00 H new ATOM 1693 N GLY A 114 8.133 6.293 -7.799 1.00 0.00 N ATOM 1694 CA GLY A 114 7.284 5.649 -6.809 1.00 0.00 C ATOM 1695 C GLY A 114 7.611 6.155 -5.400 1.00 0.00 C ATOM 1696 O GLY A 114 8.373 7.111 -5.233 1.00 0.00 O ATOM 0 H GLY A 114 8.808 5.656 -8.223 1.00 0.00 H new ATOM 0 HA2 GLY A 114 6.237 5.847 -7.037 1.00 0.00 H new ATOM 0 HA3 GLY A 114 7.421 4.569 -6.853 1.00 0.00 H new ATOM 1700 N TRP A 115 7.034 5.515 -4.377 1.00 0.00 N ATOM 1701 CA TRP A 115 7.097 5.925 -2.973 1.00 0.00 C ATOM 1702 C TRP A 115 8.521 6.268 -2.546 1.00 0.00 C ATOM 1703 O TRP A 115 8.736 7.356 -2.010 1.00 0.00 O ATOM 1704 CB TRP A 115 6.515 4.839 -2.054 1.00 0.00 C ATOM 1705 CG TRP A 115 6.274 5.229 -0.620 1.00 0.00 C ATOM 1706 CD1 TRP A 115 7.217 5.342 0.345 1.00 0.00 C ATOM 1707 CD2 TRP A 115 5.011 5.549 0.038 1.00 0.00 C ATOM 1708 NE1 TRP A 115 6.622 5.625 1.561 1.00 0.00 N ATOM 1709 CE2 TRP A 115 5.259 5.789 1.422 1.00 0.00 C ATOM 1710 CE3 TRP A 115 3.676 5.667 -0.402 1.00 0.00 C ATOM 1711 CZ2 TRP A 115 4.222 6.106 2.317 1.00 0.00 C ATOM 1712 CZ3 TRP A 115 2.633 6.006 0.475 1.00 0.00 C ATOM 1713 CH2 TRP A 115 2.907 6.223 1.832 1.00 0.00 C ATOM 0 H TRP A 115 6.489 4.663 -4.512 1.00 0.00 H new ATOM 0 HA TRP A 115 6.492 6.826 -2.877 1.00 0.00 H new ATOM 0 HB2 TRP A 115 5.569 4.503 -2.480 1.00 0.00 H new ATOM 0 HB3 TRP A 115 7.191 3.984 -2.066 1.00 0.00 H new ATOM 0 HD1 TRP A 115 8.279 5.228 0.188 1.00 0.00 H new ATOM 0 HE1 TRP A 115 7.125 5.702 2.445 1.00 0.00 H new ATOM 0 HE3 TRP A 115 3.450 5.492 -1.443 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 4.433 6.258 3.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 1.623 6.099 0.105 1.00 0.00 H new ATOM 0 HH2 TRP A 115 2.105 6.481 2.508 1.00 0.00 H new ATOM 1724 N LEU A 116 9.473 5.352 -2.767 1.00 0.00 N ATOM 1725 CA LEU A 116 10.869 5.556 -2.376 1.00 0.00 C ATOM 1726 C LEU A 116 11.353 6.874 -2.962 1.00 0.00 C ATOM 1727 O LEU A 116 11.723 7.798 -2.234 1.00 0.00 O ATOM 1728 CB LEU A 116 11.756 4.402 -2.875 1.00 0.00 C ATOM 1729 CG LEU A 116 11.514 3.055 -2.177 1.00 0.00 C ATOM 1730 CD1 LEU A 116 12.283 1.972 -2.937 1.00 0.00 C ATOM 1731 CD2 LEU A 116 11.968 3.081 -0.710 1.00 0.00 C ATOM 0 H LEU A 116 9.296 4.455 -3.219 1.00 0.00 H new ATOM 0 HA LEU A 116 10.935 5.582 -1.288 1.00 0.00 H new ATOM 0 HB2 LEU A 116 11.594 4.275 -3.945 1.00 0.00 H new ATOM 0 HB3 LEU A 116 12.801 4.682 -2.742 1.00 0.00 H new ATOM 0 HG LEU A 116 10.444 2.847 -2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 116 12.123 1.007 -2.456 1.00 0.00 H new ATOM 0 HD12 LEU A 116 11.927 1.928 -3.966 1.00 0.00 H new ATOM 0 HD13 LEU A 116 13.347 2.209 -2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 116 11.779 2.109 -0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 116 13.034 3.303 -0.663 1.00 0.00 H new ATOM 0 HD23 LEU A 116 11.413 3.849 -0.171 1.00 0.00 H new ATOM 1743 N ASN A 117 11.297 6.980 -4.289 1.00 0.00 N ATOM 1744 CA ASN A 117 11.786 8.107 -5.076 1.00 0.00 C ATOM 1745 C ASN A 117 10.800 9.287 -5.071 1.00 0.00 C ATOM 1746 O ASN A 117 10.740 10.072 -6.020 1.00 0.00 O ATOM 1747 CB ASN A 117 12.171 7.618 -6.481 1.00 0.00 C ATOM 1748 CG ASN A 117 13.446 6.770 -6.480 1.00 0.00 C ATOM 1749 OD1 ASN A 117 14.082 6.553 -5.452 1.00 0.00 O ATOM 1750 ND2 ASN A 117 13.855 6.272 -7.629 1.00 0.00 N ATOM 0 H ASN A 117 10.890 6.247 -4.870 1.00 0.00 H new ATOM 0 HA ASN A 117 12.688 8.509 -4.614 1.00 0.00 H new ATOM 0 HB2 ASN A 117 11.350 7.033 -6.896 1.00 0.00 H new ATOM 0 HB3 ASN A 117 12.312 8.478 -7.135 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.702 5.705 -7.666 1.00 0.00 H new ATOM 0 HD22 ASN A 117 13.325 6.454 -8.481 1.00 0.00 H new ATOM 1757 N SER A 118 10.081 9.475 -3.962 1.00 0.00 N ATOM 1758 CA SER A 118 9.185 10.590 -3.684 1.00 0.00 C ATOM 1759 C SER A 118 9.575 11.312 -2.384 1.00 0.00 C ATOM 1760 O SER A 118 8.775 12.098 -1.876 1.00 0.00 O ATOM 1761 CB SER A 118 7.754 10.051 -3.641 1.00 0.00 C ATOM 1762 OG SER A 118 6.816 11.105 -3.720 1.00 0.00 O ATOM 0 H SER A 118 10.114 8.810 -3.190 1.00 0.00 H new ATOM 0 HA SER A 118 9.262 11.338 -4.473 1.00 0.00 H new ATOM 0 HB2 SER A 118 7.598 9.357 -4.467 1.00 0.00 H new ATOM 0 HB3 SER A 118 7.600 9.490 -2.719 1.00 0.00 H new ATOM 0 HG SER A 118 7.117 11.853 -3.164 1.00 0.00 H new ATOM 1768 N SER A 119 10.770 11.048 -1.840 1.00 0.00 N ATOM 1769 CA SER A 119 11.247 11.585 -0.568 1.00 0.00 C ATOM 1770 C SER A 119 10.247 11.310 0.561 1.00 0.00 C ATOM 1771 O SER A 119 9.816 12.218 1.280 1.00 0.00 O ATOM 1772 CB SER A 119 11.614 13.063 -0.737 1.00 0.00 C ATOM 1773 OG SER A 119 12.533 13.224 -1.806 1.00 0.00 O ATOM 0 H SER A 119 11.450 10.435 -2.291 1.00 0.00 H new ATOM 0 HA SER A 119 12.159 11.070 -0.266 1.00 0.00 H new ATOM 0 HB2 SER A 119 10.715 13.648 -0.930 1.00 0.00 H new ATOM 0 HB3 SER A 119 12.050 13.444 0.187 1.00 0.00 H new ATOM 0 HG SER A 119 12.758 14.173 -1.904 1.00 0.00 H new ATOM 1779 N LEU A 120 9.861 10.037 0.687 1.00 0.00 N ATOM 1780 CA LEU A 120 8.882 9.562 1.655 1.00 0.00 C ATOM 1781 C LEU A 120 9.543 8.678 2.708 1.00 0.00 C ATOM 1782 O LEU A 120 10.602 8.098 2.443 1.00 0.00 O ATOM 1783 CB LEU A 120 7.768 8.793 0.926 1.00 0.00 C ATOM 1784 CG LEU A 120 6.793 9.700 0.165 1.00 0.00 C ATOM 1785 CD1 LEU A 120 5.728 8.875 -0.559 1.00 0.00 C ATOM 1786 CD2 LEU A 120 6.096 10.655 1.133 1.00 0.00 C ATOM 0 H LEU A 120 10.235 9.292 0.099 1.00 0.00 H new ATOM 0 HA LEU A 120 8.448 10.421 2.166 1.00 0.00 H new ATOM 0 HB2 LEU A 120 8.221 8.091 0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.210 8.202 1.653 1.00 0.00 H new ATOM 0 HG LEU A 120 7.370 10.265 -0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.050 9.543 -1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 120 6.209 8.204 -1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.165 8.289 0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.407 11.294 0.581 1.00 0.00 H new ATOM 0 HD22 LEU A 120 5.543 10.080 1.876 1.00 0.00 H new ATOM 0 HD23 LEU A 120 6.841 11.273 1.634 1.00 0.00 H new ATOM 1798 N PRO A 121 8.922 8.553 3.896 1.00 0.00 N ATOM 1799 CA PRO A 121 9.456 7.729 4.970 1.00 0.00 C ATOM 1800 C PRO A 121 9.358 6.230 4.644 1.00 0.00 C ATOM 1801 O PRO A 121 8.395 5.760 4.018 1.00 0.00 O ATOM 1802 CB PRO A 121 8.634 8.119 6.204 1.00 0.00 C ATOM 1803 CG PRO A 121 7.293 8.560 5.621 1.00 0.00 C ATOM 1804 CD PRO A 121 7.675 9.202 4.303 1.00 0.00 C ATOM 0 HA PRO A 121 10.521 7.899 5.130 1.00 0.00 H new ATOM 0 HB2 PRO A 121 8.516 7.279 6.889 1.00 0.00 H new ATOM 0 HB3 PRO A 121 9.111 8.923 6.765 1.00 0.00 H new ATOM 0 HG2 PRO A 121 6.621 7.714 5.476 1.00 0.00 H new ATOM 0 HG3 PRO A 121 6.782 9.264 6.277 1.00 0.00 H new ATOM 0 HD2 PRO A 121 6.895 9.056 3.555 1.00 0.00 H new ATOM 0 HD3 PRO A 121 7.812 10.278 4.416 1.00 0.00 H new ATOM 1812 N TRP A 122 10.339 5.463 5.125 1.00 0.00 N ATOM 1813 CA TRP A 122 10.456 4.020 4.941 1.00 0.00 C ATOM 1814 C TRP A 122 10.947 3.381 6.254 1.00 0.00 C ATOM 1815 O TRP A 122 11.454 4.093 7.131 1.00 0.00 O ATOM 1816 CB TRP A 122 11.382 3.761 3.740 1.00 0.00 C ATOM 1817 CG TRP A 122 11.217 2.431 3.076 1.00 0.00 C ATOM 1818 CD1 TRP A 122 12.091 1.401 3.099 1.00 0.00 C ATOM 1819 CD2 TRP A 122 10.137 2.015 2.193 1.00 0.00 C ATOM 1820 NE1 TRP A 122 11.596 0.361 2.336 1.00 0.00 N ATOM 1821 CE2 TRP A 122 10.368 0.671 1.785 1.00 0.00 C ATOM 1822 CE3 TRP A 122 8.997 2.664 1.675 1.00 0.00 C ATOM 1823 CZ2 TRP A 122 9.464 -0.020 0.962 1.00 0.00 C ATOM 1824 CZ3 TRP A 122 8.108 1.997 0.815 1.00 0.00 C ATOM 1825 CH2 TRP A 122 8.332 0.654 0.475 1.00 0.00 C ATOM 0 H TRP A 122 11.105 5.850 5.677 1.00 0.00 H new ATOM 0 HA TRP A 122 9.496 3.556 4.715 1.00 0.00 H new ATOM 0 HB2 TRP A 122 11.213 4.542 2.998 1.00 0.00 H new ATOM 0 HB3 TRP A 122 12.416 3.856 4.073 1.00 0.00 H new ATOM 0 HD1 TRP A 122 13.031 1.392 3.631 1.00 0.00 H new ATOM 0 HE1 TRP A 122 12.078 -0.527 2.197 1.00 0.00 H new ATOM 0 HE3 TRP A 122 8.804 3.692 1.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 122 9.637 -1.055 0.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 122 7.251 2.519 0.415 1.00 0.00 H new ATOM 0 HH2 TRP A 122 7.631 0.137 -0.164 1.00 0.00 H new ATOM 1836 N ILE A 123 10.771 2.064 6.416 1.00 0.00 N ATOM 1837 CA ILE A 123 11.153 1.277 7.596 1.00 0.00 C ATOM 1838 C ILE A 123 12.495 0.571 7.363 1.00 0.00 C ATOM 1839 O ILE A 123 13.229 0.361 8.331 1.00 0.00 O ATOM 1840 CB ILE A 123 10.043 0.246 7.962 1.00 0.00 C ATOM 1841 CG1 ILE A 123 8.719 0.944 8.333 1.00 0.00 C ATOM 1842 CG2 ILE A 123 10.466 -0.664 9.126 1.00 0.00 C ATOM 1843 CD1 ILE A 123 7.538 0.016 8.639 1.00 0.00 C ATOM 0 H ILE A 123 10.337 1.490 5.693 1.00 0.00 H new ATOM 0 HA ILE A 123 11.267 1.961 8.437 1.00 0.00 H new ATOM 0 HB ILE A 123 9.893 -0.364 7.071 1.00 0.00 H new ATOM 0 HG12 ILE A 123 8.895 1.576 9.203 1.00 0.00 H new ATOM 0 HG13 ILE A 123 8.435 1.603 7.513 1.00 0.00 H new ATOM 0 HG21 ILE A 123 9.663 -1.367 9.348 1.00 0.00 H new ATOM 0 HG22 ILE A 123 11.365 -1.215 8.849 1.00 0.00 H new ATOM 0 HG23 ILE A 123 10.670 -0.056 10.007 1.00 0.00 H new ATOM 0 HD11 ILE A 123 6.661 0.613 8.887 1.00 0.00 H new ATOM 0 HD12 ILE A 123 7.323 -0.599 7.765 1.00 0.00 H new ATOM 0 HD13 ILE A 123 7.789 -0.627 9.483 1.00 0.00 H new ATOM 1855 N GLU A 124 12.787 0.177 6.115 1.00 0.00 N ATOM 1856 CA GLU A 124 13.887 -0.706 5.701 1.00 0.00 C ATOM 1857 C GLU A 124 13.731 -2.142 6.238 1.00 0.00 C ATOM 1858 O GLU A 124 12.997 -2.375 7.204 1.00 0.00 O ATOM 1859 CB GLU A 124 15.254 -0.091 6.090 1.00 0.00 C ATOM 1860 CG GLU A 124 15.789 0.757 4.946 1.00 0.00 C ATOM 1861 CD GLU A 124 16.879 1.726 5.387 1.00 0.00 C ATOM 1862 OE1 GLU A 124 16.606 2.673 6.169 1.00 0.00 O ATOM 1863 OE2 GLU A 124 18.013 1.594 4.891 1.00 0.00 O ATOM 0 H GLU A 124 12.228 0.485 5.320 1.00 0.00 H new ATOM 0 HA GLU A 124 13.846 -0.787 4.615 1.00 0.00 H new ATOM 0 HB2 GLU A 124 15.145 0.520 6.986 1.00 0.00 H new ATOM 0 HB3 GLU A 124 15.964 -0.883 6.329 1.00 0.00 H new ATOM 0 HG2 GLU A 124 16.184 0.103 4.169 1.00 0.00 H new ATOM 0 HG3 GLU A 124 14.968 1.319 4.502 1.00 0.00 H new ATOM 1870 N PRO A 125 14.456 -3.129 5.673 1.00 0.00 N ATOM 1871 CA PRO A 125 14.645 -4.426 6.313 1.00 0.00 C ATOM 1872 C PRO A 125 15.514 -4.282 7.588 1.00 0.00 C ATOM 1873 O PRO A 125 15.740 -3.175 8.092 1.00 0.00 O ATOM 1874 CB PRO A 125 15.270 -5.298 5.216 1.00 0.00 C ATOM 1875 CG PRO A 125 16.178 -4.309 4.488 1.00 0.00 C ATOM 1876 CD PRO A 125 15.347 -3.026 4.514 1.00 0.00 C ATOM 0 HA PRO A 125 13.724 -4.881 6.677 1.00 0.00 H new ATOM 0 HB2 PRO A 125 15.832 -6.134 5.633 1.00 0.00 H new ATOM 0 HB3 PRO A 125 14.515 -5.720 4.553 1.00 0.00 H new ATOM 0 HG2 PRO A 125 17.134 -4.185 4.996 1.00 0.00 H new ATOM 0 HG3 PRO A 125 16.397 -4.631 3.470 1.00 0.00 H new ATOM 0 HD2 PRO A 125 15.990 -2.149 4.596 1.00 0.00 H new ATOM 0 HD3 PRO A 125 14.774 -2.916 3.593 1.00 0.00 H new