USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=23 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 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 14 THR OG1 : rot 102:sc= 1.21 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.448 X(o=-0.45,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 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 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= -2.26 K(o=-2.3,f=-5.4!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.00606 USER MOD Single : A 35 GLN : amide:sc= 0.849 K(o=0.85,f=-0.33) USER MOD Single : A 38 SER OG : rot -64:sc= 1.1 USER MOD Single : A 40 ASN : amide:sc= -0.0579 K(o=-0.058,f=-1.8) USER MOD Single : A 42 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00298) USER MOD Single : A 46 LYS NZ :NH3+ 168:sc= 0.141 (180deg=0.101) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -3:sc= 0.537 USER MOD Single : A 53 TYR OH : rot 180:sc= -0.88 USER MOD Single : A 54 ASN : amide:sc= 0.0785 X(o=0.078,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -163:sc= -0.101 (180deg=-0.408) USER MOD Single : A 64 LYS NZ :NH3+ 163:sc= -0.0277 (180deg=-0.25) USER MOD Single : A 66 SER OG : rot -43:sc= 0.00928 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= 1.35 K(o=1.3,f=0) USER MOD Single : A 75 THR OG1 : rot 97:sc= 0.846 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -121:sc= 0.0244 USER MOD Single : A 82 LYS NZ :NH3+ -113:sc= 0.379 (180deg=-1.06!) USER MOD Single : A 86 ASN : amide:sc= -0.169 X(o=-0.17,f=-0.0058) USER MOD Single : A 87 SER OG : rot 180:sc= 0.00711 USER MOD Single : A 97 ASN : amide:sc= 0.778 K(o=0.78,f=-0.024) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 118 SER OG : rot 123:sc= 1.31 USER MOD Single : A 119 SER OG : rot -41:sc= 0.252 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -2.920 8.677 -9.222 1.00 0.00 N ATOM 60 CA GLY A 7 -2.185 9.928 -9.202 1.00 0.00 C ATOM 61 C GLY A 7 -0.835 9.697 -8.522 1.00 0.00 C ATOM 62 O GLY A 7 -0.576 8.598 -8.012 1.00 0.00 O ATOM 0 HA2 GLY A 7 -2.038 10.295 -10.218 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.752 10.690 -8.667 1.00 0.00 H new ATOM 66 N SER A 8 -0.015 10.750 -8.488 1.00 0.00 N ATOM 67 CA SER A 8 1.375 10.733 -8.049 1.00 0.00 C ATOM 68 C SER A 8 1.566 10.128 -6.661 1.00 0.00 C ATOM 69 O SER A 8 0.655 10.130 -5.833 1.00 0.00 O ATOM 70 CB SER A 8 1.898 12.169 -8.025 1.00 0.00 C ATOM 71 OG SER A 8 1.816 12.761 -9.307 1.00 0.00 O ATOM 0 H SER A 8 -0.320 11.679 -8.780 1.00 0.00 H new ATOM 0 HA SER A 8 1.923 10.107 -8.753 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.321 12.758 -7.311 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.933 12.177 -7.683 1.00 0.00 H new ATOM 0 HG SER A 8 2.155 13.680 -9.265 1.00 0.00 H new ATOM 77 N ALA A 9 2.795 9.702 -6.374 1.00 0.00 N ATOM 78 CA ALA A 9 3.160 9.059 -5.121 1.00 0.00 C ATOM 79 C ALA A 9 2.714 9.830 -3.890 1.00 0.00 C ATOM 80 O ALA A 9 1.962 9.285 -3.085 1.00 0.00 O ATOM 81 CB ALA A 9 4.658 8.786 -5.052 1.00 0.00 C ATOM 0 H ALA A 9 3.577 9.798 -7.021 1.00 0.00 H new ATOM 0 HA ALA A 9 2.621 8.112 -5.114 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.897 8.305 -4.103 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.947 8.131 -5.874 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.203 9.727 -5.129 1.00 0.00 H new ATOM 87 N LYS A 10 3.155 11.081 -3.725 1.00 0.00 N ATOM 88 CA LYS A 10 2.792 11.905 -2.569 1.00 0.00 C ATOM 89 C LYS A 10 1.287 12.033 -2.402 1.00 0.00 C ATOM 90 O LYS A 10 0.879 12.341 -1.286 1.00 0.00 O ATOM 91 CB LYS A 10 3.402 13.316 -2.707 1.00 0.00 C ATOM 92 CG LYS A 10 4.660 13.504 -1.852 1.00 0.00 C ATOM 93 CD LYS A 10 4.327 13.909 -0.407 1.00 0.00 C ATOM 94 CE LYS A 10 3.865 15.371 -0.335 1.00 0.00 C ATOM 95 NZ LYS A 10 3.882 15.907 1.040 1.00 0.00 N ATOM 0 H LYS A 10 3.772 11.550 -4.388 1.00 0.00 H new ATOM 0 HA LYS A 10 3.191 11.404 -1.687 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.648 13.500 -3.753 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.658 14.059 -2.419 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.233 12.577 -1.844 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.293 14.267 -2.304 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.546 13.258 -0.014 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.205 13.770 0.224 1.00 0.00 H new ATOM 0 HE2 LYS A 10 4.509 15.983 -0.967 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.855 15.449 -0.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.561 16.896 1.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.247 15.343 1.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.849 15.860 1.419 1.00 0.00 H new ATOM 109 N ASN A 11 0.466 11.811 -3.436 1.00 0.00 N ATOM 110 CA ASN A 11 -0.977 11.998 -3.345 1.00 0.00 C ATOM 111 C ASN A 11 -1.542 11.186 -2.180 1.00 0.00 C ATOM 112 O ASN A 11 -2.373 11.702 -1.436 1.00 0.00 O ATOM 113 CB ASN A 11 -1.695 11.606 -4.645 1.00 0.00 C ATOM 114 CG ASN A 11 -3.055 12.279 -4.785 1.00 0.00 C ATOM 115 OD1 ASN A 11 -3.261 12.999 -5.761 1.00 0.00 O ATOM 116 ND2 ASN A 11 -3.967 12.146 -3.835 1.00 0.00 N ATOM 0 H ASN A 11 0.787 11.498 -4.352 1.00 0.00 H new ATOM 0 HA ASN A 11 -1.154 13.060 -3.175 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.070 11.875 -5.497 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.824 10.524 -4.673 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -4.854 12.644 -3.907 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -3.782 11.546 -3.031 1.00 0.00 H new ATOM 123 N ALA A 12 -1.110 9.926 -2.053 1.00 0.00 N ATOM 124 CA ALA A 12 -1.598 8.973 -1.066 1.00 0.00 C ATOM 125 C ALA A 12 -1.052 9.291 0.330 1.00 0.00 C ATOM 126 O ALA A 12 -1.830 9.528 1.246 1.00 0.00 O ATOM 127 CB ALA A 12 -1.248 7.553 -1.520 1.00 0.00 C ATOM 0 H ALA A 12 -0.387 9.535 -2.657 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.683 9.050 -0.991 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.611 6.836 -0.784 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.717 7.353 -2.484 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.166 7.458 -1.616 1.00 0.00 H new ATOM 133 N TYR A 13 0.269 9.381 0.506 1.00 0.00 N ATOM 134 CA TYR A 13 0.886 9.727 1.789 1.00 0.00 C ATOM 135 C TYR A 13 0.335 11.034 2.347 1.00 0.00 C ATOM 136 O TYR A 13 0.068 11.117 3.545 1.00 0.00 O ATOM 137 CB TYR A 13 2.399 9.871 1.627 1.00 0.00 C ATOM 138 CG TYR A 13 3.109 10.330 2.883 1.00 0.00 C ATOM 139 CD1 TYR A 13 3.430 9.393 3.884 1.00 0.00 C ATOM 140 CD2 TYR A 13 3.440 11.689 3.054 1.00 0.00 C ATOM 141 CE1 TYR A 13 4.141 9.810 5.024 1.00 0.00 C ATOM 142 CE2 TYR A 13 4.121 12.114 4.207 1.00 0.00 C ATOM 143 CZ TYR A 13 4.479 11.173 5.198 1.00 0.00 C ATOM 144 OH TYR A 13 5.130 11.576 6.323 1.00 0.00 O ATOM 0 H TYR A 13 0.943 9.215 -0.241 1.00 0.00 H new ATOM 0 HA TYR A 13 0.652 8.920 2.483 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.814 8.912 1.316 1.00 0.00 H new ATOM 0 HB3 TYR A 13 2.603 10.581 0.826 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.132 8.360 3.777 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.169 12.408 2.295 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.431 9.086 5.771 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.370 13.157 4.335 1.00 0.00 H new ATOM 0 HH TYR A 13 5.286 12.543 6.282 1.00 0.00 H new ATOM 154 N THR A 14 0.163 12.037 1.479 1.00 0.00 N ATOM 155 CA THR A 14 -0.397 13.314 1.878 1.00 0.00 C ATOM 156 C THR A 14 -1.738 13.077 2.574 1.00 0.00 C ATOM 157 O THR A 14 -2.026 13.700 3.593 1.00 0.00 O ATOM 158 CB THR A 14 -0.559 14.237 0.664 1.00 0.00 C ATOM 159 OG1 THR A 14 0.721 14.526 0.140 1.00 0.00 O ATOM 160 CG2 THR A 14 -1.282 15.544 0.986 1.00 0.00 C ATOM 0 H THR A 14 0.408 11.979 0.491 1.00 0.00 H new ATOM 0 HA THR A 14 0.282 13.807 2.574 1.00 0.00 H new ATOM 0 HB THR A 14 -1.178 13.710 -0.062 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.882 13.974 -0.654 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.362 16.148 0.082 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.280 15.324 1.364 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.721 16.094 1.742 1.00 0.00 H new ATOM 168 N LYS A 15 -2.565 12.193 2.007 1.00 0.00 N ATOM 169 CA LYS A 15 -3.856 11.855 2.562 1.00 0.00 C ATOM 170 C LYS A 15 -3.692 11.165 3.899 1.00 0.00 C ATOM 171 O LYS A 15 -4.279 11.640 4.856 1.00 0.00 O ATOM 172 CB LYS A 15 -4.708 11.050 1.570 1.00 0.00 C ATOM 173 CG LYS A 15 -5.103 11.920 0.368 1.00 0.00 C ATOM 174 CD LYS A 15 -6.232 12.883 0.738 1.00 0.00 C ATOM 175 CE LYS A 15 -6.198 14.133 -0.131 1.00 0.00 C ATOM 176 NZ LYS A 15 -7.340 15.008 0.185 1.00 0.00 N ATOM 0 H LYS A 15 -2.345 11.695 1.144 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.408 12.777 2.743 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.151 10.178 1.227 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.604 10.680 2.068 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.237 12.484 0.022 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.419 11.283 -0.458 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.193 12.382 0.622 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.144 13.164 1.787 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.264 14.671 0.030 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.227 13.853 -1.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.304 15.856 -0.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.228 14.497 0.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.295 15.289 1.185 1.00 0.00 H new ATOM 190 N LEU A 16 -2.875 10.115 4.024 1.00 0.00 N ATOM 191 CA LEU A 16 -2.721 9.407 5.299 1.00 0.00 C ATOM 192 C LEU A 16 -2.413 10.373 6.451 1.00 0.00 C ATOM 193 O LEU A 16 -2.857 10.154 7.579 1.00 0.00 O ATOM 194 CB LEU A 16 -1.583 8.387 5.229 1.00 0.00 C ATOM 195 CG LEU A 16 -1.923 6.993 4.695 1.00 0.00 C ATOM 196 CD1 LEU A 16 -2.373 6.949 3.237 1.00 0.00 C ATOM 197 CD2 LEU A 16 -0.638 6.175 4.834 1.00 0.00 C ATOM 0 H LEU A 16 -2.312 9.737 3.262 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.670 8.904 5.485 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.793 8.805 4.604 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.170 8.273 6.231 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.770 6.610 5.264 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.590 5.919 2.954 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.270 7.556 3.115 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.580 7.341 2.600 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.810 5.162 4.469 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.155 6.641 4.250 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.342 6.137 5.882 1.00 0.00 H new ATOM 209 N GLY A 17 -1.655 11.440 6.184 1.00 0.00 N ATOM 210 CA GLY A 17 -1.253 12.390 7.207 1.00 0.00 C ATOM 211 C GLY A 17 -2.210 13.560 7.403 1.00 0.00 C ATOM 212 O GLY A 17 -1.905 14.443 8.209 1.00 0.00 O ATOM 0 H GLY A 17 -1.307 11.663 5.252 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.150 11.861 8.154 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.269 12.783 6.952 1.00 0.00 H new ATOM 216 N THR A 18 -3.337 13.567 6.696 1.00 0.00 N ATOM 217 CA THR A 18 -4.379 14.582 6.717 1.00 0.00 C ATOM 218 C THR A 18 -5.740 13.929 7.041 1.00 0.00 C ATOM 219 O THR A 18 -6.732 14.632 7.234 1.00 0.00 O ATOM 220 CB THR A 18 -4.318 15.326 5.359 1.00 0.00 C ATOM 221 OG1 THR A 18 -4.511 16.720 5.463 1.00 0.00 O ATOM 222 CG2 THR A 18 -5.298 14.820 4.304 1.00 0.00 C ATOM 0 H THR A 18 -3.559 12.810 6.050 1.00 0.00 H new ATOM 0 HA THR A 18 -4.234 15.322 7.504 1.00 0.00 H new ATOM 0 HB THR A 18 -3.300 15.107 5.037 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.458 17.125 4.572 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.181 15.402 3.390 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.097 13.770 4.094 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.318 14.927 4.674 1.00 0.00 H new ATOM 230 N ASP A 19 -5.809 12.595 7.100 1.00 0.00 N ATOM 231 CA ASP A 19 -7.026 11.801 7.099 1.00 0.00 C ATOM 232 C ASP A 19 -6.861 10.712 8.133 1.00 0.00 C ATOM 233 O ASP A 19 -6.187 9.709 7.887 1.00 0.00 O ATOM 234 CB ASP A 19 -7.269 11.141 5.739 1.00 0.00 C ATOM 235 CG ASP A 19 -7.857 12.081 4.697 1.00 0.00 C ATOM 236 OD1 ASP A 19 -8.771 12.870 5.006 1.00 0.00 O ATOM 237 OD2 ASP A 19 -7.505 11.980 3.502 1.00 0.00 O ATOM 0 H ASP A 19 -4.970 12.017 7.152 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.873 12.452 7.317 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.326 10.743 5.365 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -7.942 10.294 5.872 1.00 0.00 H new ATOM 242 N ASP A 20 -7.498 10.872 9.287 1.00 0.00 N ATOM 243 CA ASP A 20 -7.400 9.899 10.370 1.00 0.00 C ATOM 244 C ASP A 20 -7.868 8.503 9.958 1.00 0.00 C ATOM 245 O ASP A 20 -7.313 7.504 10.420 1.00 0.00 O ATOM 246 CB ASP A 20 -8.160 10.378 11.604 1.00 0.00 C ATOM 247 CG ASP A 20 -9.680 10.275 11.526 1.00 0.00 C ATOM 248 OD1 ASP A 20 -10.228 9.153 11.578 1.00 0.00 O ATOM 249 OD2 ASP A 20 -10.337 11.342 11.493 1.00 0.00 O ATOM 0 H ASP A 20 -8.093 11.673 9.498 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.342 9.817 10.617 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.819 9.802 12.464 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.894 11.418 11.791 1.00 0.00 H new ATOM 254 N ASN A 21 -8.861 8.437 9.069 1.00 0.00 N ATOM 255 CA ASN A 21 -9.506 7.185 8.659 1.00 0.00 C ATOM 256 C ASN A 21 -8.606 6.401 7.720 1.00 0.00 C ATOM 257 O ASN A 21 -8.749 5.184 7.612 1.00 0.00 O ATOM 258 CB ASN A 21 -10.825 7.378 7.890 1.00 0.00 C ATOM 259 CG ASN A 21 -11.897 8.145 8.632 1.00 0.00 C ATOM 260 OD1 ASN A 21 -11.918 9.372 8.566 1.00 0.00 O ATOM 261 ND2 ASN A 21 -12.824 7.458 9.279 1.00 0.00 N ATOM 0 H ASN A 21 -9.246 9.261 8.607 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.702 6.667 9.598 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.610 7.897 6.956 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -11.220 6.397 7.626 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.589 7.946 9.744 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.774 6.440 9.312 1.00 0.00 H new ATOM 268 N ALA A 22 -7.749 7.101 6.975 1.00 0.00 N ATOM 269 CA ALA A 22 -7.023 6.543 5.852 1.00 0.00 C ATOM 270 C ALA A 22 -6.117 5.393 6.309 1.00 0.00 C ATOM 271 O ALA A 22 -5.646 5.380 7.452 1.00 0.00 O ATOM 272 CB ALA A 22 -6.246 7.681 5.200 1.00 0.00 C ATOM 0 H ALA A 22 -7.542 8.085 7.144 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.704 6.109 5.119 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.685 7.297 4.348 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.941 8.449 4.861 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.555 8.112 5.925 1.00 0.00 H new ATOM 278 N GLN A 23 -5.862 4.432 5.426 1.00 0.00 N ATOM 279 CA GLN A 23 -5.113 3.208 5.714 1.00 0.00 C ATOM 280 C GLN A 23 -4.195 2.851 4.547 1.00 0.00 C ATOM 281 O GLN A 23 -4.265 3.487 3.498 1.00 0.00 O ATOM 282 CB GLN A 23 -6.085 2.043 5.963 1.00 0.00 C ATOM 283 CG GLN A 23 -6.742 1.992 7.360 1.00 0.00 C ATOM 284 CD GLN A 23 -5.766 1.696 8.493 1.00 0.00 C ATOM 285 OE1 GLN A 23 -4.557 1.647 8.294 1.00 0.00 O ATOM 286 NE2 GLN A 23 -6.250 1.458 9.698 1.00 0.00 N ATOM 0 H GLN A 23 -6.180 4.483 4.458 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.508 3.381 6.604 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.875 2.090 5.214 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.548 1.108 5.802 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.231 2.946 7.555 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.521 1.229 7.356 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.256 1.499 9.861 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -5.618 1.233 10.466 1.00 0.00 H new ATOM 295 N LEU A 24 -3.362 1.811 4.700 1.00 0.00 N ATOM 296 CA LEU A 24 -2.381 1.411 3.700 1.00 0.00 C ATOM 297 C LEU A 24 -2.383 -0.112 3.534 1.00 0.00 C ATOM 298 O LEU A 24 -2.276 -0.829 4.530 1.00 0.00 O ATOM 299 CB LEU A 24 -1.020 1.972 4.144 1.00 0.00 C ATOM 300 CG LEU A 24 0.059 2.152 3.061 1.00 0.00 C ATOM 301 CD1 LEU A 24 0.403 0.874 2.291 1.00 0.00 C ATOM 302 CD2 LEU A 24 -0.331 3.262 2.083 1.00 0.00 C ATOM 0 H LEU A 24 -3.356 1.223 5.533 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.620 1.814 2.716 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.192 2.941 4.613 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.618 1.312 4.913 1.00 0.00 H new ATOM 0 HG LEU A 24 0.963 2.431 3.603 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.171 1.092 1.549 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.773 0.119 2.985 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.490 0.500 1.790 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.447 3.371 1.327 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.274 3.006 1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.444 4.201 2.625 1.00 0.00 H new ATOM 314 N LEU A 25 -2.530 -0.607 2.299 1.00 0.00 N ATOM 315 CA LEU A 25 -2.533 -2.036 1.957 1.00 0.00 C ATOM 316 C LEU A 25 -1.337 -2.342 1.068 1.00 0.00 C ATOM 317 O LEU A 25 -1.392 -2.185 -0.150 1.00 0.00 O ATOM 318 CB LEU A 25 -3.875 -2.478 1.314 1.00 0.00 C ATOM 319 CG LEU A 25 -4.406 -3.877 1.674 1.00 0.00 C ATOM 320 CD1 LEU A 25 -3.756 -4.999 0.879 1.00 0.00 C ATOM 321 CD2 LEU A 25 -4.254 -4.231 3.140 1.00 0.00 C ATOM 0 H LEU A 25 -2.654 -0.006 1.484 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.442 -2.619 2.874 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.636 -1.748 1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.762 -2.429 0.231 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.463 -3.802 1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.180 -5.955 1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.940 -4.845 -0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.682 -5.002 1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.651 -5.231 3.316 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.199 -4.206 3.413 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.803 -3.511 3.747 1.00 0.00 H new ATOM 333 N ASP A 26 -0.232 -2.735 1.689 1.00 0.00 N ATOM 334 CA ASP A 26 0.991 -3.102 0.988 1.00 0.00 C ATOM 335 C ASP A 26 0.798 -4.496 0.374 1.00 0.00 C ATOM 336 O ASP A 26 0.856 -5.520 1.072 1.00 0.00 O ATOM 337 CB ASP A 26 2.174 -2.999 1.960 1.00 0.00 C ATOM 338 CG ASP A 26 3.503 -2.980 1.217 1.00 0.00 C ATOM 339 OD1 ASP A 26 3.659 -3.760 0.256 1.00 0.00 O ATOM 340 OD2 ASP A 26 4.410 -2.229 1.631 1.00 0.00 O ATOM 0 H ASP A 26 -0.159 -2.809 2.704 1.00 0.00 H new ATOM 0 HA ASP A 26 1.215 -2.424 0.165 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.077 -2.093 2.559 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.154 -3.842 2.651 1.00 0.00 H new ATOM 345 N ILE A 27 0.448 -4.528 -0.915 1.00 0.00 N ATOM 346 CA ILE A 27 0.180 -5.740 -1.692 1.00 0.00 C ATOM 347 C ILE A 27 1.467 -6.369 -2.236 1.00 0.00 C ATOM 348 O ILE A 27 1.391 -7.367 -2.961 1.00 0.00 O ATOM 349 CB ILE A 27 -0.866 -5.502 -2.803 1.00 0.00 C ATOM 350 CG1 ILE A 27 -0.460 -4.440 -3.840 1.00 0.00 C ATOM 351 CG2 ILE A 27 -2.230 -5.204 -2.159 1.00 0.00 C ATOM 352 CD1 ILE A 27 -1.354 -4.485 -5.088 1.00 0.00 C ATOM 0 H ILE A 27 0.340 -3.677 -1.467 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.257 -6.463 -1.004 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.934 -6.420 -3.387 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.518 -3.450 -3.387 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.579 -4.596 -4.132 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.972 -5.035 -2.940 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.535 -6.051 -1.545 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.151 -4.314 -1.535 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.033 -3.719 -5.794 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.276 -5.466 -5.557 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.389 -4.302 -4.801 1.00 0.00 H new ATOM 364 N ARG A 28 2.643 -5.819 -1.914 1.00 0.00 N ATOM 365 CA ARG A 28 3.904 -6.368 -2.395 1.00 0.00 C ATOM 366 C ARG A 28 4.127 -7.742 -1.771 1.00 0.00 C ATOM 367 O ARG A 28 3.618 -8.012 -0.677 1.00 0.00 O ATOM 368 CB ARG A 28 5.061 -5.426 -2.068 1.00 0.00 C ATOM 369 CG ARG A 28 4.797 -4.053 -2.701 1.00 0.00 C ATOM 370 CD ARG A 28 5.935 -3.070 -2.447 1.00 0.00 C ATOM 371 NE ARG A 28 6.071 -2.827 -1.016 1.00 0.00 N ATOM 372 CZ ARG A 28 7.199 -2.772 -0.321 1.00 0.00 C ATOM 373 NH1 ARG A 28 8.385 -3.059 -0.856 1.00 0.00 N ATOM 374 NH2 ARG A 28 7.110 -2.434 0.952 1.00 0.00 N ATOM 0 H ARG A 28 2.742 -4.994 -1.322 1.00 0.00 H new ATOM 0 HA ARG A 28 3.861 -6.474 -3.479 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.168 -5.326 -0.988 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.997 -5.838 -2.445 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.656 -4.172 -3.775 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.870 -3.643 -2.301 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.867 -3.468 -2.847 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.740 -2.132 -2.967 1.00 0.00 H new ATOM 0 HE ARG A 28 5.207 -2.684 -0.494 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.449 -3.334 -1.836 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.229 -3.004 -0.285 1.00 0.00 H new ATOM 0 HH21 ARG A 28 6.199 -2.228 1.362 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.952 -2.379 1.525 1.00 0.00 H new ATOM 388 N ALA A 29 4.912 -8.604 -2.420 1.00 0.00 N ATOM 389 CA ALA A 29 5.258 -9.906 -1.869 1.00 0.00 C ATOM 390 C ALA A 29 5.970 -9.732 -0.531 1.00 0.00 C ATOM 391 O ALA A 29 6.670 -8.748 -0.316 1.00 0.00 O ATOM 392 CB ALA A 29 6.115 -10.697 -2.857 1.00 0.00 C ATOM 0 H ALA A 29 5.321 -8.417 -3.336 1.00 0.00 H new ATOM 0 HA ALA A 29 4.344 -10.474 -1.698 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.364 -11.667 -2.427 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.561 -10.842 -3.784 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.032 -10.146 -3.065 1.00 0.00 H new ATOM 398 N THR A 30 5.874 -10.722 0.357 1.00 0.00 N ATOM 399 CA THR A 30 6.506 -10.628 1.675 1.00 0.00 C ATOM 400 C THR A 30 8.041 -10.567 1.562 1.00 0.00 C ATOM 401 O THR A 30 8.729 -10.002 2.414 1.00 0.00 O ATOM 402 CB THR A 30 6.017 -11.774 2.566 1.00 0.00 C ATOM 403 OG1 THR A 30 4.620 -11.934 2.380 1.00 0.00 O ATOM 404 CG2 THR A 30 6.277 -11.532 4.054 1.00 0.00 C ATOM 0 H THR A 30 5.369 -11.592 0.190 1.00 0.00 H new ATOM 0 HA THR A 30 6.208 -9.693 2.149 1.00 0.00 H new ATOM 0 HB THR A 30 6.573 -12.665 2.274 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.297 -12.667 2.945 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.907 -12.380 4.631 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.348 -11.418 4.222 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.761 -10.625 4.371 1.00 0.00 H new ATOM 412 N ALA A 31 8.569 -11.087 0.455 1.00 0.00 N ATOM 413 CA ALA A 31 9.941 -10.943 0.008 1.00 0.00 C ATOM 414 C ALA A 31 10.384 -9.485 -0.107 1.00 0.00 C ATOM 415 O ALA A 31 11.546 -9.165 0.134 1.00 0.00 O ATOM 416 CB ALA A 31 10.009 -11.592 -1.362 1.00 0.00 C ATOM 0 H ALA A 31 8.013 -11.652 -0.187 1.00 0.00 H new ATOM 0 HA ALA A 31 10.606 -11.407 0.736 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.024 -11.514 -1.752 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.731 -12.643 -1.281 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.321 -11.086 -2.039 1.00 0.00 H new ATOM 422 N ASP A 32 9.485 -8.586 -0.489 1.00 0.00 N ATOM 423 CA ASP A 32 9.818 -7.193 -0.750 1.00 0.00 C ATOM 424 C ASP A 32 10.154 -6.469 0.542 1.00 0.00 C ATOM 425 O ASP A 32 11.046 -5.629 0.561 1.00 0.00 O ATOM 426 CB ASP A 32 8.695 -6.531 -1.557 1.00 0.00 C ATOM 427 CG ASP A 32 9.264 -5.892 -2.809 1.00 0.00 C ATOM 428 OD1 ASP A 32 9.971 -6.617 -3.553 1.00 0.00 O ATOM 429 OD2 ASP A 32 8.936 -4.722 -3.088 1.00 0.00 O ATOM 0 H ASP A 32 8.498 -8.805 -0.627 1.00 0.00 H new ATOM 0 HA ASP A 32 10.718 -7.134 -1.362 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.944 -7.273 -1.827 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.195 -5.777 -0.949 1.00 0.00 H new ATOM 434 N PHE A 33 9.597 -6.891 1.674 1.00 0.00 N ATOM 435 CA PHE A 33 10.009 -6.396 2.986 1.00 0.00 C ATOM 436 C PHE A 33 11.429 -6.841 3.361 1.00 0.00 C ATOM 437 O PHE A 33 12.027 -6.307 4.297 1.00 0.00 O ATOM 438 CB PHE A 33 8.984 -6.852 4.026 1.00 0.00 C ATOM 439 CG PHE A 33 7.557 -6.606 3.581 1.00 0.00 C ATOM 440 CD1 PHE A 33 7.180 -5.336 3.116 1.00 0.00 C ATOM 441 CD2 PHE A 33 6.637 -7.666 3.514 1.00 0.00 C ATOM 442 CE1 PHE A 33 5.896 -5.126 2.602 1.00 0.00 C ATOM 443 CE2 PHE A 33 5.339 -7.445 3.012 1.00 0.00 C ATOM 444 CZ PHE A 33 4.973 -6.177 2.533 1.00 0.00 C ATOM 0 H PHE A 33 8.849 -7.584 1.709 1.00 0.00 H new ATOM 0 HA PHE A 33 10.040 -5.307 2.955 1.00 0.00 H new ATOM 0 HB2 PHE A 33 9.121 -7.915 4.225 1.00 0.00 H new ATOM 0 HB3 PHE A 33 9.164 -6.327 4.964 1.00 0.00 H new ATOM 0 HD1 PHE A 33 7.884 -4.518 3.155 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.925 -8.652 3.848 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.614 -4.143 2.255 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.623 -8.254 2.996 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.990 -6.014 2.116 1.00 0.00 H new ATOM 454 N ARG A 34 11.980 -7.831 2.654 1.00 0.00 N ATOM 455 CA ARG A 34 13.317 -8.362 2.898 1.00 0.00 C ATOM 456 C ARG A 34 14.357 -7.680 2.021 1.00 0.00 C ATOM 457 O ARG A 34 15.520 -7.643 2.422 1.00 0.00 O ATOM 458 CB ARG A 34 13.362 -9.874 2.629 1.00 0.00 C ATOM 459 CG ARG A 34 12.163 -10.699 3.122 1.00 0.00 C ATOM 460 CD ARG A 34 11.757 -10.415 4.575 1.00 0.00 C ATOM 461 NE ARG A 34 11.427 -11.658 5.281 1.00 0.00 N ATOM 462 CZ ARG A 34 12.263 -12.393 6.020 1.00 0.00 C ATOM 463 NH1 ARG A 34 13.495 -11.983 6.299 1.00 0.00 N ATOM 464 NH2 ARG A 34 11.838 -13.563 6.470 1.00 0.00 N ATOM 0 H ARG A 34 11.498 -8.292 1.883 1.00 0.00 H new ATOM 0 HA ARG A 34 13.549 -8.166 3.945 1.00 0.00 H new ATOM 0 HB2 ARG A 34 13.460 -10.026 1.554 1.00 0.00 H new ATOM 0 HB3 ARG A 34 14.264 -10.275 3.091 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.310 -10.502 2.473 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.400 -11.758 3.024 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.571 -9.905 5.091 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.898 -9.744 4.592 1.00 0.00 H new ATOM 0 HE ARG A 34 10.467 -11.993 5.200 1.00 0.00 H new ATOM 0 HH11 ARG A 34 13.826 -11.085 5.946 1.00 0.00 H new ATOM 0 HH12 ARG A 34 14.110 -12.566 6.866 1.00 0.00 H new ATOM 0 HH21 ARG A 34 10.894 -13.882 6.250 1.00 0.00 H new ATOM 0 HH22 ARG A 34 12.454 -14.146 7.037 1.00 0.00 H new ATOM 478 N GLN A 35 13.956 -7.165 0.855 1.00 0.00 N ATOM 479 CA GLN A 35 14.870 -6.605 -0.137 1.00 0.00 C ATOM 480 C GLN A 35 14.681 -5.101 -0.361 1.00 0.00 C ATOM 481 O GLN A 35 15.655 -4.419 -0.662 1.00 0.00 O ATOM 482 CB GLN A 35 14.799 -7.428 -1.434 1.00 0.00 C ATOM 483 CG GLN A 35 13.627 -7.135 -2.383 1.00 0.00 C ATOM 484 CD GLN A 35 13.469 -8.137 -3.536 1.00 0.00 C ATOM 485 OE1 GLN A 35 14.327 -8.971 -3.815 1.00 0.00 O ATOM 486 NE2 GLN A 35 12.346 -8.097 -4.237 1.00 0.00 N ATOM 0 H GLN A 35 12.976 -7.126 0.573 1.00 0.00 H new ATOM 0 HA GLN A 35 15.883 -6.685 0.258 1.00 0.00 H new ATOM 0 HB2 GLN A 35 15.727 -7.274 -1.984 1.00 0.00 H new ATOM 0 HB3 GLN A 35 14.760 -8.483 -1.164 1.00 0.00 H new ATOM 0 HG2 GLN A 35 12.704 -7.120 -1.804 1.00 0.00 H new ATOM 0 HG3 GLN A 35 13.757 -6.137 -2.802 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.629 -7.408 -4.012 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.199 -8.755 -5.002 1.00 0.00 H new ATOM 495 N VAL A 36 13.469 -4.583 -0.157 1.00 0.00 N ATOM 496 CA VAL A 36 13.108 -3.171 -0.279 1.00 0.00 C ATOM 497 C VAL A 36 12.782 -2.583 1.106 1.00 0.00 C ATOM 498 O VAL A 36 13.096 -1.435 1.393 1.00 0.00 O ATOM 499 CB VAL A 36 11.925 -2.985 -1.260 1.00 0.00 C ATOM 500 CG1 VAL A 36 11.676 -1.507 -1.595 1.00 0.00 C ATOM 501 CG2 VAL A 36 12.116 -3.735 -2.586 1.00 0.00 C ATOM 0 H VAL A 36 12.675 -5.165 0.110 1.00 0.00 H new ATOM 0 HA VAL A 36 13.961 -2.629 -0.688 1.00 0.00 H new ATOM 0 HB VAL A 36 11.068 -3.402 -0.731 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.837 -1.427 -2.286 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.446 -0.960 -0.680 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.568 -1.083 -2.057 1.00 0.00 H new ATOM 0 HG21 VAL A 36 11.252 -3.564 -3.229 1.00 0.00 H new ATOM 0 HG22 VAL A 36 13.016 -3.372 -3.083 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.216 -4.802 -2.389 1.00 0.00 H new ATOM 511 N GLY A 37 12.195 -3.357 2.022 1.00 0.00 N ATOM 512 CA GLY A 37 11.705 -2.830 3.297 1.00 0.00 C ATOM 513 C GLY A 37 10.216 -2.497 3.199 1.00 0.00 C ATOM 514 O GLY A 37 9.565 -2.862 2.217 1.00 0.00 O ATOM 0 H GLY A 37 12.047 -4.359 1.902 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.869 -3.562 4.088 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.267 -1.936 3.568 1.00 0.00 H new ATOM 518 N SER A 38 9.659 -1.848 4.223 1.00 0.00 N ATOM 519 CA SER A 38 8.232 -1.534 4.330 1.00 0.00 C ATOM 520 C SER A 38 8.023 -0.022 4.508 1.00 0.00 C ATOM 521 O SER A 38 8.916 0.633 5.049 1.00 0.00 O ATOM 522 CB SER A 38 7.644 -2.275 5.541 1.00 0.00 C ATOM 523 OG SER A 38 8.035 -3.635 5.639 1.00 0.00 O ATOM 0 H SER A 38 10.201 -1.518 5.021 1.00 0.00 H new ATOM 0 HA SER A 38 7.731 -1.850 3.415 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.945 -1.756 6.451 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.556 -2.224 5.490 1.00 0.00 H new ATOM 0 HG SER A 38 7.691 -4.131 4.867 1.00 0.00 H new ATOM 529 N PRO A 39 6.843 0.534 4.181 1.00 0.00 N ATOM 530 CA PRO A 39 6.542 1.939 4.422 1.00 0.00 C ATOM 531 C PRO A 39 6.466 2.248 5.927 1.00 0.00 C ATOM 532 O PRO A 39 5.823 1.529 6.704 1.00 0.00 O ATOM 533 CB PRO A 39 5.236 2.211 3.665 1.00 0.00 C ATOM 534 CG PRO A 39 4.552 0.853 3.616 1.00 0.00 C ATOM 535 CD PRO A 39 5.720 -0.125 3.532 1.00 0.00 C ATOM 0 HA PRO A 39 7.328 2.602 4.060 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.622 2.949 4.180 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.427 2.598 2.664 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.943 0.677 4.503 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.892 0.766 2.753 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.479 -1.064 4.029 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.955 -0.364 2.495 1.00 0.00 H new ATOM 543 N ASN A 40 7.184 3.292 6.353 1.00 0.00 N ATOM 544 CA ASN A 40 7.104 3.872 7.688 1.00 0.00 C ATOM 545 C ASN A 40 6.040 4.964 7.686 1.00 0.00 C ATOM 546 O ASN A 40 6.337 6.147 7.842 1.00 0.00 O ATOM 547 CB ASN A 40 8.446 4.441 8.194 1.00 0.00 C ATOM 548 CG ASN A 40 8.302 4.932 9.637 1.00 0.00 C ATOM 549 OD1 ASN A 40 7.464 4.431 10.389 1.00 0.00 O ATOM 550 ND2 ASN A 40 9.099 5.902 10.040 1.00 0.00 N ATOM 0 H ASN A 40 7.858 3.769 5.754 1.00 0.00 H new ATOM 0 HA ASN A 40 6.839 3.069 8.376 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.218 3.674 8.139 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.766 5.262 7.553 1.00 0.00 H new ATOM 0 HD21 ASN A 40 9.030 6.255 10.994 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.784 6.299 9.397 1.00 0.00 H new ATOM 557 N ILE A 41 4.778 4.563 7.567 1.00 0.00 N ATOM 558 CA ILE A 41 3.653 5.445 7.870 1.00 0.00 C ATOM 559 C ILE A 41 3.356 5.484 9.376 1.00 0.00 C ATOM 560 O ILE A 41 2.362 6.070 9.793 1.00 0.00 O ATOM 561 CB ILE A 41 2.419 5.043 7.044 1.00 0.00 C ATOM 562 CG1 ILE A 41 1.940 3.593 7.278 1.00 0.00 C ATOM 563 CG2 ILE A 41 2.710 5.295 5.556 1.00 0.00 C ATOM 564 CD1 ILE A 41 0.404 3.543 7.246 1.00 0.00 C ATOM 0 H ILE A 41 4.507 3.628 7.261 1.00 0.00 H new ATOM 0 HA ILE A 41 3.926 6.461 7.584 1.00 0.00 H new ATOM 0 HB ILE A 41 1.592 5.666 7.384 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.351 2.936 6.511 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.305 3.230 8.239 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.840 5.013 4.962 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.927 6.352 5.402 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.569 4.699 5.247 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.070 2.519 7.411 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.003 4.187 8.029 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.049 3.888 6.275 1.00 0.00 H new ATOM 576 N LYS A 42 4.174 4.817 10.197 1.00 0.00 N ATOM 577 CA LYS A 42 3.904 4.615 11.612 1.00 0.00 C ATOM 578 C LYS A 42 3.772 5.962 12.326 1.00 0.00 C ATOM 579 O LYS A 42 2.867 6.114 13.142 1.00 0.00 O ATOM 580 CB LYS A 42 4.977 3.672 12.192 1.00 0.00 C ATOM 581 CG LYS A 42 4.449 2.627 13.186 1.00 0.00 C ATOM 582 CD LYS A 42 4.296 3.187 14.606 1.00 0.00 C ATOM 583 CE LYS A 42 3.680 2.182 15.584 1.00 0.00 C ATOM 584 NZ LYS A 42 4.491 0.955 15.750 1.00 0.00 N ATOM 0 H LYS A 42 5.052 4.400 9.887 1.00 0.00 H new ATOM 0 HA LYS A 42 2.944 4.123 11.769 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.468 3.154 11.368 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.738 4.273 12.689 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.484 2.257 12.840 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.129 1.775 13.207 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.274 3.493 14.977 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.673 4.081 14.573 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.555 2.661 16.555 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.685 1.907 15.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.030 0.324 16.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.576 0.469 14.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.438 1.209 16.096 1.00 0.00 H new ATOM 598 N GLY A 43 4.570 6.969 11.966 1.00 0.00 N ATOM 599 CA GLY A 43 4.457 8.325 12.492 1.00 0.00 C ATOM 600 C GLY A 43 3.317 9.138 11.870 1.00 0.00 C ATOM 601 O GLY A 43 3.362 10.363 11.923 1.00 0.00 O ATOM 0 H GLY A 43 5.325 6.860 11.289 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.308 8.275 13.571 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.398 8.849 12.324 1.00 0.00 H new ATOM 605 N LEU A 44 2.333 8.511 11.221 1.00 0.00 N ATOM 606 CA LEU A 44 1.076 9.157 10.845 1.00 0.00 C ATOM 607 C LEU A 44 -0.051 8.662 11.752 1.00 0.00 C ATOM 608 O LEU A 44 -1.102 9.307 11.797 1.00 0.00 O ATOM 609 CB LEU A 44 0.706 8.876 9.375 1.00 0.00 C ATOM 610 CG LEU A 44 1.788 9.220 8.339 1.00 0.00 C ATOM 611 CD1 LEU A 44 1.355 8.724 6.957 1.00 0.00 C ATOM 612 CD2 LEU A 44 2.049 10.724 8.256 1.00 0.00 C ATOM 0 H LEU A 44 2.388 7.532 10.940 1.00 0.00 H new ATOM 0 HA LEU A 44 1.209 10.232 10.962 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.458 7.819 9.277 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.196 9.438 9.132 1.00 0.00 H new ATOM 0 HG LEU A 44 2.707 8.729 8.658 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.124 8.969 6.225 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.213 7.644 6.986 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.419 9.205 6.675 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.821 10.919 7.511 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.131 11.237 7.970 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.382 11.090 9.227 1.00 0.00 H new ATOM 624 N GLY A 45 0.117 7.538 12.459 1.00 0.00 N ATOM 625 CA GLY A 45 -0.937 6.968 13.288 1.00 0.00 C ATOM 626 C GLY A 45 -0.917 5.446 13.382 1.00 0.00 C ATOM 627 O GLY A 45 -1.600 4.890 14.242 1.00 0.00 O ATOM 0 H GLY A 45 0.986 7.004 12.469 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.855 7.382 14.293 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.903 7.282 12.892 1.00 0.00 H new ATOM 631 N LYS A 46 -0.206 4.750 12.486 1.00 0.00 N ATOM 632 CA LYS A 46 -0.105 3.291 12.464 1.00 0.00 C ATOM 633 C LYS A 46 0.718 2.831 11.286 1.00 0.00 C ATOM 634 O LYS A 46 0.924 3.562 10.327 1.00 0.00 O ATOM 635 CB LYS A 46 -1.472 2.579 12.395 1.00 0.00 C ATOM 636 CG LYS A 46 -2.620 3.224 11.603 1.00 0.00 C ATOM 637 CD LYS A 46 -2.291 3.735 10.193 1.00 0.00 C ATOM 638 CE LYS A 46 -3.537 4.249 9.468 1.00 0.00 C ATOM 639 NZ LYS A 46 -4.126 5.454 10.077 1.00 0.00 N ATOM 0 H LYS A 46 0.326 5.199 11.740 1.00 0.00 H new ATOM 0 HA LYS A 46 0.372 3.022 13.407 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.303 1.587 11.977 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.819 2.438 13.419 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.426 2.495 11.520 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.006 4.061 12.185 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.554 4.535 10.259 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.838 2.932 9.612 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.279 4.467 8.432 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.287 3.459 9.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.832 5.860 9.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.585 5.200 10.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.378 6.153 10.257 1.00 0.00 H new ATOM 653 N LYS A 47 1.141 1.574 11.318 1.00 0.00 N ATOM 654 CA LYS A 47 1.628 0.837 10.194 1.00 0.00 C ATOM 655 C LYS A 47 0.564 0.541 9.169 1.00 0.00 C ATOM 656 O LYS A 47 -0.632 0.720 9.378 1.00 0.00 O ATOM 657 CB LYS A 47 2.227 -0.484 10.703 1.00 0.00 C ATOM 658 CG LYS A 47 3.714 -0.268 10.864 1.00 0.00 C ATOM 659 CD LYS A 47 4.419 -0.045 9.536 1.00 0.00 C ATOM 660 CE LYS A 47 5.276 -1.252 9.179 1.00 0.00 C ATOM 661 NZ LYS A 47 4.500 -2.421 8.719 1.00 0.00 N ATOM 0 H LYS A 47 1.148 1.027 12.179 1.00 0.00 H new ATOM 0 HA LYS A 47 2.377 1.453 9.696 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.775 -0.771 11.652 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.030 -1.292 9.999 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.885 0.593 11.511 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.151 -1.133 11.363 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.683 0.131 8.752 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.043 0.847 9.594 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.981 -0.966 8.399 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.864 -1.539 10.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.149 -3.202 8.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.845 -2.720 9.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.959 -2.166 7.868 1.00 0.00 H new ATOM 675 N ALA A 48 1.098 0.061 8.057 1.00 0.00 N ATOM 676 CA ALA A 48 0.360 -0.522 6.951 1.00 0.00 C ATOM 677 C ALA A 48 -0.023 -1.963 7.287 1.00 0.00 C ATOM 678 O ALA A 48 0.677 -2.641 8.053 1.00 0.00 O ATOM 679 CB ALA A 48 1.253 -0.506 5.706 1.00 0.00 C ATOM 0 H ALA A 48 2.105 0.068 7.895 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.549 0.052 6.768 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.713 -0.941 4.865 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.527 0.522 5.468 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.155 -1.087 5.898 1.00 0.00 H new ATOM 685 N VAL A 49 -1.072 -2.481 6.665 1.00 0.00 N ATOM 686 CA VAL A 49 -1.276 -3.914 6.501 1.00 0.00 C ATOM 687 C VAL A 49 -0.341 -4.374 5.382 1.00 0.00 C ATOM 688 O VAL A 49 -0.028 -3.612 4.467 1.00 0.00 O ATOM 689 CB VAL A 49 -2.761 -4.177 6.188 1.00 0.00 C ATOM 690 CG1 VAL A 49 -3.086 -5.655 5.913 1.00 0.00 C ATOM 691 CG2 VAL A 49 -3.671 -3.715 7.334 1.00 0.00 C ATOM 0 H VAL A 49 -1.814 -1.913 6.255 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.042 -4.477 7.405 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.949 -3.602 5.281 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.150 -5.760 5.701 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.509 -6.001 5.055 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.830 -6.253 6.788 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.711 -3.917 7.077 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.411 -4.254 8.245 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.538 -2.645 7.495 1.00 0.00 H new ATOM 701 N SER A 50 0.083 -5.632 5.447 1.00 0.00 N ATOM 702 CA SER A 50 0.807 -6.309 4.390 1.00 0.00 C ATOM 703 C SER A 50 -0.003 -7.555 4.039 1.00 0.00 C ATOM 704 O SER A 50 -0.259 -8.402 4.904 1.00 0.00 O ATOM 705 CB SER A 50 2.257 -6.571 4.821 1.00 0.00 C ATOM 706 OG SER A 50 2.390 -6.994 6.175 1.00 0.00 O ATOM 0 H SER A 50 -0.075 -6.222 6.264 1.00 0.00 H new ATOM 0 HA SER A 50 0.906 -5.708 3.486 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.688 -7.331 4.169 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.839 -5.661 4.676 1.00 0.00 H new ATOM 0 HG SER A 50 3.337 -7.144 6.380 1.00 0.00 H new ATOM 712 N THR A 51 -0.535 -7.641 2.824 1.00 0.00 N ATOM 713 CA THR A 51 -1.192 -8.838 2.318 1.00 0.00 C ATOM 714 C THR A 51 -0.948 -8.855 0.818 1.00 0.00 C ATOM 715 O THR A 51 -1.510 -8.024 0.112 1.00 0.00 O ATOM 716 CB THR A 51 -2.695 -8.826 2.650 1.00 0.00 C ATOM 717 OG1 THR A 51 -2.885 -8.759 4.054 1.00 0.00 O ATOM 718 CG2 THR A 51 -3.388 -10.089 2.127 1.00 0.00 C ATOM 0 H THR A 51 -0.521 -6.871 2.156 1.00 0.00 H new ATOM 0 HA THR A 51 -0.791 -9.738 2.784 1.00 0.00 H new ATOM 0 HB THR A 51 -3.130 -7.951 2.167 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.014 -8.777 4.503 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.448 -10.052 2.376 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.272 -10.146 1.045 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.937 -10.968 2.587 1.00 0.00 H new ATOM 726 N VAL A 52 -0.109 -9.774 0.343 1.00 0.00 N ATOM 727 CA VAL A 52 0.206 -9.907 -1.072 1.00 0.00 C ATOM 728 C VAL A 52 -1.098 -10.133 -1.844 1.00 0.00 C ATOM 729 O VAL A 52 -1.830 -11.083 -1.548 1.00 0.00 O ATOM 730 CB VAL A 52 1.201 -11.055 -1.317 1.00 0.00 C ATOM 731 CG1 VAL A 52 1.844 -10.930 -2.705 1.00 0.00 C ATOM 732 CG2 VAL A 52 2.283 -11.191 -0.229 1.00 0.00 C ATOM 0 H VAL A 52 0.373 -10.450 0.936 1.00 0.00 H new ATOM 0 HA VAL A 52 0.685 -8.993 -1.424 1.00 0.00 H new ATOM 0 HB VAL A 52 0.613 -11.971 -1.269 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.544 -11.752 -2.857 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.068 -10.968 -3.470 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.377 -9.982 -2.775 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.944 -12.022 -0.475 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.863 -10.270 -0.175 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.809 -11.378 0.734 1.00 0.00 H new ATOM 742 N TYR A 53 -1.415 -9.256 -2.797 1.00 0.00 N ATOM 743 CA TYR A 53 -2.584 -9.461 -3.635 1.00 0.00 C ATOM 744 C TYR A 53 -2.324 -10.620 -4.593 1.00 0.00 C ATOM 745 O TYR A 53 -1.244 -10.719 -5.179 1.00 0.00 O ATOM 746 CB TYR A 53 -2.984 -8.186 -4.377 1.00 0.00 C ATOM 747 CG TYR A 53 -4.027 -8.428 -5.447 1.00 0.00 C ATOM 748 CD1 TYR A 53 -5.228 -9.104 -5.144 1.00 0.00 C ATOM 749 CD2 TYR A 53 -3.749 -8.052 -6.772 1.00 0.00 C ATOM 750 CE1 TYR A 53 -6.162 -9.381 -6.160 1.00 0.00 C ATOM 751 CE2 TYR A 53 -4.667 -8.349 -7.790 1.00 0.00 C ATOM 752 CZ TYR A 53 -5.880 -9.000 -7.495 1.00 0.00 C ATOM 753 OH TYR A 53 -6.760 -9.263 -8.496 1.00 0.00 O ATOM 0 H TYR A 53 -0.884 -8.410 -3.002 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.431 -9.717 -2.998 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.368 -7.460 -3.660 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.098 -7.745 -4.834 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.431 -9.410 -4.128 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -2.830 -7.535 -7.006 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.089 -9.882 -5.923 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.441 -8.076 -8.810 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.400 -8.929 -9.344 1.00 0.00 H new ATOM 763 N ASN A 54 -3.326 -11.484 -4.749 1.00 0.00 N ATOM 764 CA ASN A 54 -3.332 -12.608 -5.667 1.00 0.00 C ATOM 765 C ASN A 54 -4.693 -12.602 -6.358 1.00 0.00 C ATOM 766 O ASN A 54 -5.703 -12.866 -5.708 1.00 0.00 O ATOM 767 CB ASN A 54 -3.112 -13.930 -4.911 1.00 0.00 C ATOM 768 CG ASN A 54 -1.692 -14.107 -4.391 1.00 0.00 C ATOM 769 OD1 ASN A 54 -0.877 -14.791 -5.009 1.00 0.00 O ATOM 770 ND2 ASN A 54 -1.366 -13.541 -3.242 1.00 0.00 N ATOM 0 H ASN A 54 -4.191 -11.411 -4.213 1.00 0.00 H new ATOM 0 HA ASN A 54 -2.525 -12.520 -6.394 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.806 -13.978 -4.072 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -3.354 -14.762 -5.573 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.430 -13.669 -2.858 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.051 -12.976 -2.739 1.00 0.00 H new ATOM 777 N GLY A 55 -4.750 -12.288 -7.657 1.00 0.00 N ATOM 778 CA GLY A 55 -6.013 -12.239 -8.400 1.00 0.00 C ATOM 779 C GLY A 55 -6.652 -13.608 -8.610 1.00 0.00 C ATOM 780 O GLY A 55 -7.827 -13.697 -8.967 1.00 0.00 O ATOM 0 H GLY A 55 -3.929 -12.062 -8.219 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.714 -11.598 -7.866 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.836 -11.777 -9.371 1.00 0.00 H new ATOM 784 N GLU A 56 -5.878 -14.661 -8.343 1.00 0.00 N ATOM 785 CA GLU A 56 -6.240 -16.065 -8.366 1.00 0.00 C ATOM 786 C GLU A 56 -7.478 -16.371 -7.518 1.00 0.00 C ATOM 787 O GLU A 56 -8.283 -17.218 -7.914 1.00 0.00 O ATOM 788 CB GLU A 56 -4.990 -16.809 -7.876 1.00 0.00 C ATOM 789 CG GLU A 56 -5.164 -18.316 -7.685 1.00 0.00 C ATOM 790 CD GLU A 56 -3.793 -18.967 -7.489 1.00 0.00 C ATOM 791 OE1 GLU A 56 -3.036 -18.544 -6.583 1.00 0.00 O ATOM 792 OE2 GLU A 56 -3.389 -19.821 -8.308 1.00 0.00 O ATOM 0 H GLU A 56 -4.900 -14.534 -8.084 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.528 -16.385 -9.367 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.183 -16.640 -8.589 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.675 -16.373 -6.928 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.799 -18.513 -6.821 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.663 -18.748 -8.552 1.00 0.00 H new ATOM 799 N ASP A 57 -7.653 -15.694 -6.381 1.00 0.00 N ATOM 800 CA ASP A 57 -8.757 -15.939 -5.457 1.00 0.00 C ATOM 801 C ASP A 57 -9.128 -14.639 -4.747 1.00 0.00 C ATOM 802 O ASP A 57 -8.587 -14.303 -3.697 1.00 0.00 O ATOM 803 CB ASP A 57 -8.363 -17.049 -4.481 1.00 0.00 C ATOM 804 CG ASP A 57 -9.532 -17.594 -3.662 1.00 0.00 C ATOM 805 OD1 ASP A 57 -10.629 -16.990 -3.624 1.00 0.00 O ATOM 806 OD2 ASP A 57 -9.336 -18.653 -3.024 1.00 0.00 O ATOM 0 H ASP A 57 -7.024 -14.952 -6.075 1.00 0.00 H new ATOM 0 HA ASP A 57 -9.642 -16.276 -5.997 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.910 -17.868 -5.040 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.601 -16.668 -3.801 1.00 0.00 H new ATOM 811 N LYS A 58 -10.027 -13.862 -5.355 1.00 0.00 N ATOM 812 CA LYS A 58 -10.496 -12.578 -4.824 1.00 0.00 C ATOM 813 C LYS A 58 -10.963 -12.665 -3.360 1.00 0.00 C ATOM 814 O LYS A 58 -10.425 -11.938 -2.517 1.00 0.00 O ATOM 815 CB LYS A 58 -11.569 -11.961 -5.747 1.00 0.00 C ATOM 816 CG LYS A 58 -11.054 -11.565 -7.137 1.00 0.00 C ATOM 817 CD LYS A 58 -10.315 -10.226 -7.116 1.00 0.00 C ATOM 818 CE LYS A 58 -9.702 -9.891 -8.475 1.00 0.00 C ATOM 819 NZ LYS A 58 -10.688 -9.595 -9.536 1.00 0.00 N ATOM 0 H LYS A 58 -10.458 -14.111 -6.246 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.639 -11.905 -4.813 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.385 -12.675 -5.864 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.985 -11.078 -5.261 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -10.386 -12.341 -7.511 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.893 -11.505 -7.831 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.006 -9.435 -6.825 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.529 -10.257 -6.361 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.042 -9.031 -8.360 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.082 -10.728 -8.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.189 -9.379 -10.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.304 -10.421 -9.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.265 -8.777 -9.255 1.00 0.00 H new ATOM 833 N PRO A 59 -11.956 -13.497 -3.010 1.00 0.00 N ATOM 834 CA PRO A 59 -12.405 -13.638 -1.633 1.00 0.00 C ATOM 835 C PRO A 59 -11.310 -14.289 -0.785 1.00 0.00 C ATOM 836 O PRO A 59 -11.067 -13.837 0.333 1.00 0.00 O ATOM 837 CB PRO A 59 -13.676 -14.480 -1.700 1.00 0.00 C ATOM 838 CG PRO A 59 -13.468 -15.320 -2.951 1.00 0.00 C ATOM 839 CD PRO A 59 -12.678 -14.408 -3.873 1.00 0.00 C ATOM 0 HA PRO A 59 -12.613 -12.679 -1.158 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.795 -15.101 -0.812 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -14.568 -13.858 -1.776 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -12.921 -16.237 -2.731 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -14.418 -15.615 -3.397 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.992 -14.982 -4.496 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -13.341 -13.865 -4.546 1.00 0.00 H new ATOM 847 N GLY A 60 -10.576 -15.262 -1.334 1.00 0.00 N ATOM 848 CA GLY A 60 -9.408 -15.883 -0.728 1.00 0.00 C ATOM 849 C GLY A 60 -8.208 -14.958 -0.593 1.00 0.00 C ATOM 850 O GLY A 60 -7.143 -15.435 -0.212 1.00 0.00 O ATOM 0 H GLY A 60 -10.794 -15.650 -2.252 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.680 -16.254 0.260 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.120 -16.748 -1.325 1.00 0.00 H new ATOM 854 N PHE A 61 -8.379 -13.653 -0.800 1.00 0.00 N ATOM 855 CA PHE A 61 -7.434 -12.603 -0.477 1.00 0.00 C ATOM 856 C PHE A 61 -8.092 -11.634 0.515 1.00 0.00 C ATOM 857 O PHE A 61 -7.534 -11.366 1.584 1.00 0.00 O ATOM 858 CB PHE A 61 -6.985 -11.934 -1.787 1.00 0.00 C ATOM 859 CG PHE A 61 -6.483 -10.520 -1.613 1.00 0.00 C ATOM 860 CD1 PHE A 61 -5.174 -10.281 -1.161 1.00 0.00 C ATOM 861 CD2 PHE A 61 -7.354 -9.441 -1.857 1.00 0.00 C ATOM 862 CE1 PHE A 61 -4.734 -8.958 -0.981 1.00 0.00 C ATOM 863 CE2 PHE A 61 -6.931 -8.126 -1.615 1.00 0.00 C ATOM 864 CZ PHE A 61 -5.609 -7.887 -1.209 1.00 0.00 C ATOM 0 H PHE A 61 -9.232 -13.287 -1.222 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.539 -12.991 0.009 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -6.196 -12.536 -2.239 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -7.822 -11.928 -2.486 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.511 -11.108 -0.953 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -8.350 -9.626 -2.231 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.719 -8.766 -0.666 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.618 -7.302 -1.740 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.264 -6.873 -1.072 1.00 0.00 H new ATOM 874 N LEU A 62 -9.320 -11.179 0.225 1.00 0.00 N ATOM 875 CA LEU A 62 -10.117 -10.298 1.093 1.00 0.00 C ATOM 876 C LEU A 62 -10.321 -10.876 2.503 1.00 0.00 C ATOM 877 O LEU A 62 -10.554 -10.132 3.456 1.00 0.00 O ATOM 878 CB LEU A 62 -11.482 -10.018 0.444 1.00 0.00 C ATOM 879 CG LEU A 62 -11.427 -9.120 -0.810 1.00 0.00 C ATOM 880 CD1 LEU A 62 -12.760 -9.218 -1.555 1.00 0.00 C ATOM 881 CD2 LEU A 62 -11.155 -7.649 -0.465 1.00 0.00 C ATOM 0 H LEU A 62 -9.799 -11.420 -0.643 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.556 -9.370 1.204 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -11.943 -10.968 0.174 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -12.131 -9.548 1.183 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.604 -9.472 -1.431 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -12.728 -8.586 -2.442 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -12.936 -10.252 -1.852 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -13.567 -8.886 -0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.126 -7.060 -1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.948 -7.274 0.182 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.198 -7.567 0.050 1.00 0.00 H new ATOM 893 N LYS A 63 -10.143 -12.186 2.683 1.00 0.00 N ATOM 894 CA LYS A 63 -10.152 -12.899 3.949 1.00 0.00 C ATOM 895 C LYS A 63 -9.132 -12.366 4.940 1.00 0.00 C ATOM 896 O LYS A 63 -9.220 -12.691 6.123 1.00 0.00 O ATOM 897 CB LYS A 63 -10.039 -14.413 3.697 1.00 0.00 C ATOM 898 CG LYS A 63 -8.895 -14.876 2.783 1.00 0.00 C ATOM 899 CD LYS A 63 -7.512 -14.618 3.363 1.00 0.00 C ATOM 900 CE LYS A 63 -6.427 -15.461 2.687 1.00 0.00 C ATOM 901 NZ LYS A 63 -6.654 -16.928 2.669 1.00 0.00 N ATOM 0 H LYS A 63 -9.979 -12.812 1.894 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.110 -12.718 4.437 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.928 -14.911 4.660 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.979 -14.758 3.267 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.005 -15.943 2.588 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.979 -14.366 1.823 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.267 -13.561 3.254 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.523 -14.835 4.431 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.318 -15.118 1.658 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.479 -15.267 3.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.759 -17.415 2.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.007 -17.236 3.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.355 -17.162 1.937 1.00 0.00 H new ATOM 915 N LYS A 64 -8.173 -11.541 4.499 1.00 0.00 N ATOM 916 CA LYS A 64 -7.322 -10.827 5.424 1.00 0.00 C ATOM 917 C LYS A 64 -7.967 -9.504 5.823 1.00 0.00 C ATOM 918 O LYS A 64 -8.011 -9.165 7.005 1.00 0.00 O ATOM 919 CB LYS A 64 -5.918 -10.620 4.847 1.00 0.00 C ATOM 920 CG LYS A 64 -5.199 -11.945 4.514 1.00 0.00 C ATOM 921 CD LYS A 64 -3.768 -12.027 5.075 1.00 0.00 C ATOM 922 CE LYS A 64 -3.685 -12.616 6.488 1.00 0.00 C ATOM 923 NZ LYS A 64 -4.110 -14.028 6.545 1.00 0.00 N ATOM 0 H LYS A 64 -7.978 -11.361 3.514 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.209 -11.433 6.323 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.989 -10.015 3.943 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.317 -10.057 5.561 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.784 -12.775 4.910 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -5.164 -12.067 3.431 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.160 -12.633 4.404 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.334 -11.027 5.083 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.660 -12.535 6.851 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.309 -12.026 7.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.772 -14.457 7.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.148 -14.080 6.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.710 -14.544 5.735 1.00 0.00 H new ATOM 937 N LEU A 65 -8.417 -8.713 4.847 1.00 0.00 N ATOM 938 CA LEU A 65 -8.943 -7.371 5.079 1.00 0.00 C ATOM 939 C LEU A 65 -10.187 -7.399 5.964 1.00 0.00 C ATOM 940 O LEU A 65 -10.327 -6.522 6.816 1.00 0.00 O ATOM 941 CB LEU A 65 -9.273 -6.654 3.764 1.00 0.00 C ATOM 942 CG LEU A 65 -8.051 -6.106 3.003 1.00 0.00 C ATOM 943 CD1 LEU A 65 -7.464 -7.127 2.026 1.00 0.00 C ATOM 944 CD2 LEU A 65 -8.461 -4.846 2.244 1.00 0.00 C ATOM 0 H LEU A 65 -8.426 -8.991 3.866 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.156 -6.819 5.592 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.808 -7.346 3.114 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.951 -5.828 3.977 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.276 -5.880 3.736 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.605 -6.690 1.516 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.148 -8.015 2.574 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.220 -7.404 1.291 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.601 -4.452 1.702 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.255 -5.089 1.538 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.820 -4.097 2.950 1.00 0.00 H new ATOM 956 N SER A 66 -11.030 -8.426 5.851 1.00 0.00 N ATOM 957 CA SER A 66 -12.285 -8.580 6.592 1.00 0.00 C ATOM 958 C SER A 66 -12.123 -8.641 8.113 1.00 0.00 C ATOM 959 O SER A 66 -13.109 -8.670 8.851 1.00 0.00 O ATOM 960 CB SER A 66 -12.942 -9.876 6.104 1.00 0.00 C ATOM 961 OG SER A 66 -14.337 -9.894 6.312 1.00 0.00 O ATOM 0 H SER A 66 -10.851 -9.204 5.216 1.00 0.00 H new ATOM 0 HA SER A 66 -12.891 -7.694 6.400 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.736 -10.004 5.041 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.491 -10.723 6.621 1.00 0.00 H new ATOM 0 HG SER A 66 -14.540 -9.535 7.201 1.00 0.00 H new ATOM 967 N LEU A 67 -10.888 -8.720 8.596 1.00 0.00 N ATOM 968 CA LEU A 67 -10.578 -8.820 10.007 1.00 0.00 C ATOM 969 C LEU A 67 -9.419 -7.900 10.395 1.00 0.00 C ATOM 970 O LEU A 67 -9.322 -7.492 11.549 1.00 0.00 O ATOM 971 CB LEU A 67 -10.374 -10.299 10.374 1.00 0.00 C ATOM 972 CG LEU A 67 -9.346 -11.085 9.528 1.00 0.00 C ATOM 973 CD1 LEU A 67 -7.922 -10.938 10.064 1.00 0.00 C ATOM 974 CD2 LEU A 67 -9.709 -12.568 9.469 1.00 0.00 C ATOM 0 H LEU A 67 -10.060 -8.716 8.000 1.00 0.00 H new ATOM 0 HA LEU A 67 -11.415 -8.459 10.604 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -10.068 -10.352 11.419 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -11.336 -10.805 10.298 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.380 -10.658 8.526 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.236 -11.508 9.437 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.636 -9.886 10.052 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.877 -11.315 11.086 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.971 -13.100 8.868 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.721 -12.980 10.478 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -10.695 -12.684 9.019 1.00 0.00 H new ATOM 986 N LYS A 68 -8.568 -7.506 9.439 1.00 0.00 N ATOM 987 CA LYS A 68 -7.478 -6.562 9.679 1.00 0.00 C ATOM 988 C LYS A 68 -7.985 -5.146 9.969 1.00 0.00 C ATOM 989 O LYS A 68 -7.179 -4.361 10.477 1.00 0.00 O ATOM 990 CB LYS A 68 -6.513 -6.542 8.472 1.00 0.00 C ATOM 991 CG LYS A 68 -5.185 -7.301 8.642 1.00 0.00 C ATOM 992 CD LYS A 68 -5.262 -8.742 9.163 1.00 0.00 C ATOM 993 CE LYS A 68 -3.891 -9.407 8.980 1.00 0.00 C ATOM 994 NZ LYS A 68 -3.724 -10.653 9.760 1.00 0.00 N ATOM 0 H LYS A 68 -8.619 -7.836 8.475 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.947 -6.905 10.567 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.036 -6.958 7.610 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.284 -5.503 8.235 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.680 -7.318 7.676 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.554 -6.729 9.322 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.547 -8.748 10.215 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.027 -9.299 8.622 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.743 -9.628 7.923 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.113 -8.701 9.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.777 -11.046 9.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.834 -10.446 10.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.444 -11.344 9.468 1.00 0.00 H new ATOM 1008 N PHE A 69 -9.225 -4.767 9.633 1.00 0.00 N ATOM 1009 CA PHE A 69 -9.652 -3.364 9.727 1.00 0.00 C ATOM 1010 C PHE A 69 -10.885 -3.243 10.617 1.00 0.00 C ATOM 1011 O PHE A 69 -11.820 -4.030 10.470 1.00 0.00 O ATOM 1012 CB PHE A 69 -9.953 -2.800 8.328 1.00 0.00 C ATOM 1013 CG PHE A 69 -8.790 -2.733 7.358 1.00 0.00 C ATOM 1014 CD1 PHE A 69 -8.232 -3.903 6.809 1.00 0.00 C ATOM 1015 CD2 PHE A 69 -8.332 -1.479 6.924 1.00 0.00 C ATOM 1016 CE1 PHE A 69 -7.211 -3.819 5.852 1.00 0.00 C ATOM 1017 CE2 PHE A 69 -7.348 -1.396 5.925 1.00 0.00 C ATOM 1018 CZ PHE A 69 -6.791 -2.566 5.389 1.00 0.00 C ATOM 0 H PHE A 69 -9.945 -5.406 9.296 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.841 -2.786 10.170 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -10.738 -3.408 7.877 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -10.357 -1.794 8.446 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -8.592 -4.870 7.127 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.737 -0.577 7.359 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.749 -4.719 5.473 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.020 -0.430 5.569 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.037 -2.501 4.618 1.00 0.00 H new ATOM 1028 N LYS A 70 -10.910 -2.236 11.497 1.00 0.00 N ATOM 1029 CA LYS A 70 -12.047 -1.991 12.385 1.00 0.00 C ATOM 1030 C LYS A 70 -13.231 -1.364 11.669 1.00 0.00 C ATOM 1031 O LYS A 70 -14.366 -1.751 11.933 1.00 0.00 O ATOM 1032 CB LYS A 70 -11.709 -1.251 13.681 1.00 0.00 C ATOM 1033 CG LYS A 70 -10.866 -0.042 13.354 1.00 0.00 C ATOM 1034 CD LYS A 70 -10.773 0.977 14.497 1.00 0.00 C ATOM 1035 CE LYS A 70 -10.159 2.315 14.069 1.00 0.00 C ATOM 1036 NZ LYS A 70 -8.710 2.232 13.797 1.00 0.00 N ATOM 0 H LYS A 70 -10.145 -1.571 11.612 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.346 -2.990 12.702 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.624 -0.945 14.189 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.172 -1.911 14.362 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.861 -0.372 13.092 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.280 0.450 12.474 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -11.771 1.155 14.898 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.176 0.553 15.305 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.670 2.672 13.175 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.333 3.054 14.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.356 3.168 13.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.213 1.920 14.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -8.539 1.550 13.031 1.00 0.00 H new ATOM 1050 N ASP A 71 -12.971 -0.418 10.775 1.00 0.00 N ATOM 1051 CA ASP A 71 -13.988 0.460 10.218 1.00 0.00 C ATOM 1052 C ASP A 71 -13.761 0.576 8.716 1.00 0.00 C ATOM 1053 O ASP A 71 -13.318 1.610 8.224 1.00 0.00 O ATOM 1054 CB ASP A 71 -13.942 1.795 10.964 1.00 0.00 C ATOM 1055 CG ASP A 71 -15.168 2.635 10.633 1.00 0.00 C ATOM 1056 OD1 ASP A 71 -15.166 3.320 9.589 1.00 0.00 O ATOM 1057 OD2 ASP A 71 -16.120 2.614 11.443 1.00 0.00 O ATOM 0 H ASP A 71 -12.035 -0.238 10.413 1.00 0.00 H new ATOM 0 HA ASP A 71 -14.995 0.064 10.350 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -13.896 1.616 12.038 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -13.037 2.339 10.692 1.00 0.00 H new ATOM 1062 N PRO A 72 -13.927 -0.518 7.958 1.00 0.00 N ATOM 1063 CA PRO A 72 -13.678 -0.489 6.522 1.00 0.00 C ATOM 1064 C PRO A 72 -14.628 0.494 5.825 1.00 0.00 C ATOM 1065 O PRO A 72 -14.201 1.228 4.931 1.00 0.00 O ATOM 1066 CB PRO A 72 -13.836 -1.936 6.057 1.00 0.00 C ATOM 1067 CG PRO A 72 -14.760 -2.560 7.096 1.00 0.00 C ATOM 1068 CD PRO A 72 -14.432 -1.816 8.387 1.00 0.00 C ATOM 0 HA PRO A 72 -12.682 -0.125 6.269 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -14.267 -1.989 5.057 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -12.875 -2.450 6.018 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.808 -2.437 6.821 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -14.580 -3.630 7.197 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.316 -1.707 9.015 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.688 -2.354 8.974 1.00 0.00 H new ATOM 1076 N GLU A 73 -15.879 0.561 6.284 1.00 0.00 N ATOM 1077 CA GLU A 73 -16.968 1.337 5.703 1.00 0.00 C ATOM 1078 C GLU A 73 -16.750 2.859 5.693 1.00 0.00 C ATOM 1079 O GLU A 73 -17.466 3.539 4.963 1.00 0.00 O ATOM 1080 CB GLU A 73 -18.291 0.971 6.395 1.00 0.00 C ATOM 1081 CG GLU A 73 -18.265 1.051 7.932 1.00 0.00 C ATOM 1082 CD GLU A 73 -19.632 1.465 8.482 1.00 0.00 C ATOM 1083 OE1 GLU A 73 -20.555 0.617 8.570 1.00 0.00 O ATOM 1084 OE2 GLU A 73 -19.826 2.678 8.744 1.00 0.00 O ATOM 0 H GLU A 73 -16.172 0.047 7.115 1.00 0.00 H new ATOM 0 HA GLU A 73 -17.003 1.062 4.649 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -19.073 1.634 6.025 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -18.568 -0.042 6.104 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -17.980 0.083 8.345 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -17.508 1.768 8.250 1.00 0.00 H new ATOM 1091 N ASN A 74 -15.761 3.414 6.413 1.00 0.00 N ATOM 1092 CA ASN A 74 -15.383 4.838 6.303 1.00 0.00 C ATOM 1093 C ASN A 74 -13.882 5.004 6.058 1.00 0.00 C ATOM 1094 O ASN A 74 -13.393 6.127 5.939 1.00 0.00 O ATOM 1095 CB ASN A 74 -15.816 5.688 7.513 1.00 0.00 C ATOM 1096 CG ASN A 74 -17.268 5.481 7.903 1.00 0.00 C ATOM 1097 OD1 ASN A 74 -18.135 6.285 7.573 1.00 0.00 O ATOM 1098 ND2 ASN A 74 -17.552 4.411 8.621 1.00 0.00 N ATOM 0 H ASN A 74 -15.201 2.892 7.087 1.00 0.00 H new ATOM 0 HA ASN A 74 -15.932 5.213 5.439 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.180 5.446 8.365 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -15.655 6.742 7.284 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -18.512 4.235 8.916 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -16.811 3.760 8.881 1.00 0.00 H new ATOM 1105 N THR A 75 -13.128 3.908 5.998 1.00 0.00 N ATOM 1106 CA THR A 75 -11.706 3.935 5.740 1.00 0.00 C ATOM 1107 C THR A 75 -11.466 4.113 4.246 1.00 0.00 C ATOM 1108 O THR A 75 -11.889 3.292 3.423 1.00 0.00 O ATOM 1109 CB THR A 75 -11.082 2.664 6.320 1.00 0.00 C ATOM 1110 OG1 THR A 75 -10.891 2.876 7.704 1.00 0.00 O ATOM 1111 CG2 THR A 75 -9.732 2.289 5.710 1.00 0.00 C ATOM 0 H THR A 75 -13.501 2.968 6.130 1.00 0.00 H new ATOM 0 HA THR A 75 -11.223 4.781 6.229 1.00 0.00 H new ATOM 0 HB THR A 75 -11.764 1.844 6.096 1.00 0.00 H new ATOM 0 HG1 THR A 75 -11.644 2.493 8.201 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.362 1.377 6.178 1.00 0.00 H new ATOM 0 HG22 THR A 75 -9.850 2.125 4.639 1.00 0.00 H new ATOM 0 HG23 THR A 75 -9.020 3.097 5.877 1.00 0.00 H new ATOM 1119 N THR A 76 -10.705 5.147 3.905 1.00 0.00 N ATOM 1120 CA THR A 76 -10.108 5.291 2.594 1.00 0.00 C ATOM 1121 C THR A 76 -8.829 4.448 2.568 1.00 0.00 C ATOM 1122 O THR A 76 -7.838 4.807 3.212 1.00 0.00 O ATOM 1123 CB THR A 76 -9.844 6.768 2.283 1.00 0.00 C ATOM 1124 OG1 THR A 76 -10.943 7.566 2.680 1.00 0.00 O ATOM 1125 CG2 THR A 76 -9.553 6.967 0.797 1.00 0.00 C ATOM 0 H THR A 76 -10.487 5.913 4.542 1.00 0.00 H new ATOM 0 HA THR A 76 -10.783 4.934 1.816 1.00 0.00 H new ATOM 0 HB THR A 76 -8.966 7.080 2.849 1.00 0.00 H new ATOM 0 HG1 THR A 76 -10.756 8.506 2.475 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.369 8.023 0.601 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.673 6.387 0.518 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.409 6.633 0.211 1.00 0.00 H new ATOM 1133 N LEU A 77 -8.843 3.290 1.906 1.00 0.00 N ATOM 1134 CA LEU A 77 -7.651 2.480 1.759 1.00 0.00 C ATOM 1135 C LEU A 77 -6.789 3.027 0.627 1.00 0.00 C ATOM 1136 O LEU A 77 -7.298 3.391 -0.431 1.00 0.00 O ATOM 1137 CB LEU A 77 -8.005 1.009 1.468 1.00 0.00 C ATOM 1138 CG LEU A 77 -7.358 0.023 2.449 1.00 0.00 C ATOM 1139 CD1 LEU A 77 -7.604 -1.408 1.958 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -5.854 0.237 2.642 1.00 0.00 C ATOM 0 H LEU A 77 -9.675 2.898 1.464 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.100 2.522 2.698 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.088 0.889 1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.691 0.761 0.454 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.823 0.199 3.419 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.147 -2.114 2.651 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.677 -1.595 1.905 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.164 -1.534 0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.470 -0.498 3.349 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.344 0.121 1.685 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.676 1.240 3.029 1.00 0.00 H new ATOM 1152 N TYR A 78 -5.479 2.969 0.817 1.00 0.00 N ATOM 1153 CA TYR A 78 -4.484 3.308 -0.178 1.00 0.00 C ATOM 1154 C TYR A 78 -3.659 2.045 -0.391 1.00 0.00 C ATOM 1155 O TYR A 78 -2.863 1.668 0.466 1.00 0.00 O ATOM 1156 CB TYR A 78 -3.662 4.519 0.300 1.00 0.00 C ATOM 1157 CG TYR A 78 -4.454 5.815 0.330 1.00 0.00 C ATOM 1158 CD1 TYR A 78 -5.269 6.120 1.438 1.00 0.00 C ATOM 1159 CD2 TYR A 78 -4.427 6.690 -0.773 1.00 0.00 C ATOM 1160 CE1 TYR A 78 -6.083 7.265 1.430 1.00 0.00 C ATOM 1161 CE2 TYR A 78 -5.238 7.839 -0.784 1.00 0.00 C ATOM 1162 CZ TYR A 78 -6.090 8.118 0.306 1.00 0.00 C ATOM 1163 OH TYR A 78 -6.917 9.194 0.263 1.00 0.00 O ATOM 0 H TYR A 78 -5.069 2.673 1.703 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.915 3.615 -1.131 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.276 4.315 1.299 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.800 4.644 -0.355 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.268 5.469 2.300 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.782 6.478 -1.613 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -6.703 7.492 2.284 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -5.209 8.510 -1.630 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.509 9.121 -0.515 1.00 0.00 H new ATOM 1173 N ILE A 79 -3.868 1.328 -1.495 1.00 0.00 N ATOM 1174 CA ILE A 79 -2.996 0.197 -1.824 1.00 0.00 C ATOM 1175 C ILE A 79 -1.576 0.716 -2.085 1.00 0.00 C ATOM 1176 O ILE A 79 -1.432 1.880 -2.463 1.00 0.00 O ATOM 1177 CB ILE A 79 -3.617 -0.557 -3.019 1.00 0.00 C ATOM 1178 CG1 ILE A 79 -4.958 -1.172 -2.556 1.00 0.00 C ATOM 1179 CG2 ILE A 79 -2.735 -1.686 -3.564 1.00 0.00 C ATOM 1180 CD1 ILE A 79 -6.163 -0.326 -2.948 1.00 0.00 C ATOM 0 H ILE A 79 -4.617 1.503 -2.165 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.914 -0.513 -1.001 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.741 0.167 -3.824 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.064 -2.168 -2.987 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.942 -1.293 -1.473 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.238 -2.169 -4.402 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.784 -1.274 -3.901 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.555 -2.419 -2.778 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.075 -0.808 -2.597 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.077 0.662 -2.496 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.200 -0.226 -4.033 1.00 0.00 H new ATOM 1192 N LEU A 80 -0.548 -0.134 -1.990 1.00 0.00 N ATOM 1193 CA LEU A 80 0.833 0.156 -2.381 1.00 0.00 C ATOM 1194 C LEU A 80 1.418 -1.125 -3.005 1.00 0.00 C ATOM 1195 O LEU A 80 1.516 -2.134 -2.305 1.00 0.00 O ATOM 1196 CB LEU A 80 1.607 0.642 -1.131 1.00 0.00 C ATOM 1197 CG LEU A 80 2.773 1.614 -1.396 1.00 0.00 C ATOM 1198 CD1 LEU A 80 3.532 1.881 -0.091 1.00 0.00 C ATOM 1199 CD2 LEU A 80 3.774 1.122 -2.425 1.00 0.00 C ATOM 0 H LEU A 80 -0.661 -1.079 -1.624 1.00 0.00 H new ATOM 0 HA LEU A 80 0.903 0.951 -3.124 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.901 1.127 -0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.999 -0.231 -0.608 1.00 0.00 H new ATOM 0 HG LEU A 80 2.312 2.518 -1.795 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.356 2.569 -0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.854 2.322 0.640 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.926 0.943 0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.561 1.865 -2.551 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.212 0.183 -2.086 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.268 0.964 -3.378 1.00 0.00 H new ATOM 1211 N ASP A 81 1.718 -1.126 -4.312 1.00 0.00 N ATOM 1212 CA ASP A 81 2.446 -2.208 -5.007 1.00 0.00 C ATOM 1213 C ASP A 81 3.937 -1.839 -5.107 1.00 0.00 C ATOM 1214 O ASP A 81 4.359 -0.818 -4.582 1.00 0.00 O ATOM 1215 CB ASP A 81 1.844 -2.475 -6.403 1.00 0.00 C ATOM 1216 CG ASP A 81 2.213 -3.869 -6.912 1.00 0.00 C ATOM 1217 OD1 ASP A 81 3.291 -4.036 -7.527 1.00 0.00 O ATOM 1218 OD2 ASP A 81 1.417 -4.804 -6.686 1.00 0.00 O ATOM 0 H ASP A 81 1.457 -0.360 -4.933 1.00 0.00 H new ATOM 0 HA ASP A 81 2.347 -3.129 -4.432 1.00 0.00 H new ATOM 0 HB2 ASP A 81 0.759 -2.378 -6.358 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.203 -1.723 -7.106 1.00 0.00 H new ATOM 1223 N LYS A 82 4.788 -2.672 -5.702 1.00 0.00 N ATOM 1224 CA LYS A 82 6.222 -2.419 -5.840 1.00 0.00 C ATOM 1225 C LYS A 82 6.470 -1.541 -7.035 1.00 0.00 C ATOM 1226 O LYS A 82 7.112 -0.512 -6.893 1.00 0.00 O ATOM 1227 CB LYS A 82 7.019 -3.724 -5.906 1.00 0.00 C ATOM 1228 CG LYS A 82 6.516 -4.873 -6.789 1.00 0.00 C ATOM 1229 CD LYS A 82 7.112 -6.230 -6.379 1.00 0.00 C ATOM 1230 CE LYS A 82 8.573 -6.481 -6.772 1.00 0.00 C ATOM 1231 NZ LYS A 82 9.572 -5.664 -6.050 1.00 0.00 N ATOM 0 H LYS A 82 4.495 -3.560 -6.110 1.00 0.00 H new ATOM 0 HA LYS A 82 6.574 -1.892 -4.953 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.027 -3.475 -6.238 1.00 0.00 H new ATOM 0 HB3 LYS A 82 7.104 -4.107 -4.889 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.429 -4.924 -6.730 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.770 -4.667 -7.829 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.028 -6.327 -5.297 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.500 -7.018 -6.818 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.801 -7.534 -6.606 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.681 -6.296 -7.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.026 -5.004 -6.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.100 -5.126 -5.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.293 -6.286 -5.633 1.00 0.00 H new ATOM 1245 N PHE A 83 5.920 -1.950 -8.162 1.00 0.00 N ATOM 1246 CA PHE A 83 5.994 -1.200 -9.408 1.00 0.00 C ATOM 1247 C PHE A 83 4.601 -1.031 -10.004 1.00 0.00 C ATOM 1248 O PHE A 83 3.984 0.031 -9.869 1.00 0.00 O ATOM 1249 CB PHE A 83 6.971 -1.887 -10.377 1.00 0.00 C ATOM 1250 CG PHE A 83 8.442 -1.626 -10.126 1.00 0.00 C ATOM 1251 CD1 PHE A 83 8.996 -0.369 -10.437 1.00 0.00 C ATOM 1252 CD2 PHE A 83 9.277 -2.657 -9.657 1.00 0.00 C ATOM 1253 CE1 PHE A 83 10.378 -0.158 -10.318 1.00 0.00 C ATOM 1254 CE2 PHE A 83 10.659 -2.434 -9.529 1.00 0.00 C ATOM 1255 CZ PHE A 83 11.215 -1.193 -9.872 1.00 0.00 C ATOM 0 H PHE A 83 5.401 -2.824 -8.242 1.00 0.00 H new ATOM 0 HA PHE A 83 6.381 -0.200 -9.214 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.800 -2.963 -10.334 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.733 -1.567 -11.391 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.355 0.435 -10.768 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.857 -3.617 -9.396 1.00 0.00 H new ATOM 0 HE1 PHE A 83 10.799 0.804 -10.570 1.00 0.00 H new ATOM 0 HE2 PHE A 83 11.298 -3.225 -9.164 1.00 0.00 H new ATOM 0 HZ PHE A 83 12.280 -1.035 -9.794 1.00 0.00 H new ATOM 1265 N ASP A 84 4.116 -2.057 -10.703 1.00 0.00 N ATOM 1266 CA ASP A 84 2.962 -1.968 -11.589 1.00 0.00 C ATOM 1267 C ASP A 84 1.840 -2.813 -11.024 1.00 0.00 C ATOM 1268 O ASP A 84 0.735 -2.308 -10.818 1.00 0.00 O ATOM 1269 CB ASP A 84 3.308 -2.414 -13.019 1.00 0.00 C ATOM 1270 CG ASP A 84 4.251 -1.466 -13.764 1.00 0.00 C ATOM 1271 OD1 ASP A 84 4.281 -0.245 -13.459 1.00 0.00 O ATOM 1272 OD2 ASP A 84 4.953 -1.952 -14.681 1.00 0.00 O ATOM 0 H ASP A 84 4.525 -2.991 -10.666 1.00 0.00 H new ATOM 0 HA ASP A 84 2.646 -0.926 -11.647 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.764 -3.403 -12.978 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.385 -2.512 -13.590 1.00 0.00 H new ATOM 1277 N GLY A 85 2.149 -4.088 -10.780 1.00 0.00 N ATOM 1278 CA GLY A 85 1.291 -5.074 -10.160 1.00 0.00 C ATOM 1279 C GLY A 85 -0.150 -4.946 -10.624 1.00 0.00 C ATOM 1280 O GLY A 85 -0.437 -5.018 -11.824 1.00 0.00 O ATOM 0 H GLY A 85 3.061 -4.473 -11.028 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.660 -6.073 -10.393 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.334 -4.963 -9.077 1.00 0.00 H new ATOM 1284 N ASN A 86 -1.044 -4.729 -9.661 1.00 0.00 N ATOM 1285 CA ASN A 86 -2.480 -4.573 -9.851 1.00 0.00 C ATOM 1286 C ASN A 86 -3.055 -3.585 -8.826 1.00 0.00 C ATOM 1287 O ASN A 86 -4.211 -3.703 -8.438 1.00 0.00 O ATOM 1288 CB ASN A 86 -3.155 -5.957 -9.767 1.00 0.00 C ATOM 1289 CG ASN A 86 -3.288 -6.669 -11.101 1.00 0.00 C ATOM 1290 OD1 ASN A 86 -2.935 -7.840 -11.227 1.00 0.00 O ATOM 1291 ND2 ASN A 86 -3.843 -6.034 -12.112 1.00 0.00 N ATOM 0 H ASN A 86 -0.771 -4.654 -8.681 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.681 -4.155 -10.838 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.581 -6.587 -9.088 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.147 -5.839 -9.331 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.981 -6.513 -13.002 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -4.135 -5.063 -12.006 1.00 0.00 H new ATOM 1298 N SER A 87 -2.262 -2.625 -8.350 1.00 0.00 N ATOM 1299 CA SER A 87 -2.645 -1.568 -7.411 1.00 0.00 C ATOM 1300 C SER A 87 -4.056 -1.021 -7.668 1.00 0.00 C ATOM 1301 O SER A 87 -4.910 -1.049 -6.780 1.00 0.00 O ATOM 1302 CB SER A 87 -1.573 -0.468 -7.497 1.00 0.00 C ATOM 1303 OG SER A 87 -1.147 -0.276 -8.835 1.00 0.00 O ATOM 0 H SER A 87 -1.282 -2.559 -8.623 1.00 0.00 H new ATOM 0 HA SER A 87 -2.691 -1.977 -6.401 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.973 0.466 -7.102 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.719 -0.738 -6.875 1.00 0.00 H new ATOM 0 HG SER A 87 -0.467 0.429 -8.864 1.00 0.00 H new ATOM 1309 N GLU A 88 -4.304 -0.578 -8.897 1.00 0.00 N ATOM 1310 CA GLU A 88 -5.561 0.013 -9.342 1.00 0.00 C ATOM 1311 C GLU A 88 -6.727 -0.962 -9.277 1.00 0.00 C ATOM 1312 O GLU A 88 -7.841 -0.543 -8.973 1.00 0.00 O ATOM 1313 CB GLU A 88 -5.390 0.504 -10.778 1.00 0.00 C ATOM 1314 CG GLU A 88 -4.572 1.790 -10.766 1.00 0.00 C ATOM 1315 CD GLU A 88 -4.161 2.234 -12.158 1.00 0.00 C ATOM 1316 OE1 GLU A 88 -4.912 2.058 -13.148 1.00 0.00 O ATOM 1317 OE2 GLU A 88 -3.046 2.786 -12.297 1.00 0.00 O ATOM 0 H GLU A 88 -3.606 -0.623 -9.640 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.797 0.837 -8.668 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.890 -0.255 -11.379 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.364 0.681 -11.234 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.153 2.582 -10.293 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.680 1.643 -10.157 1.00 0.00 H new ATOM 1324 N LEU A 89 -6.493 -2.244 -9.558 1.00 0.00 N ATOM 1325 CA LEU A 89 -7.516 -3.281 -9.520 1.00 0.00 C ATOM 1326 C LEU A 89 -8.074 -3.358 -8.105 1.00 0.00 C ATOM 1327 O LEU A 89 -9.288 -3.291 -7.889 1.00 0.00 O ATOM 1328 CB LEU A 89 -6.884 -4.616 -9.962 1.00 0.00 C ATOM 1329 CG LEU A 89 -7.816 -5.806 -10.202 1.00 0.00 C ATOM 1330 CD1 LEU A 89 -8.403 -6.408 -8.926 1.00 0.00 C ATOM 1331 CD2 LEU A 89 -8.928 -5.445 -11.182 1.00 0.00 C ATOM 0 H LEU A 89 -5.572 -2.593 -9.822 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.338 -3.055 -10.199 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.330 -4.435 -10.883 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -6.157 -4.908 -9.205 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.186 -6.581 -10.639 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.052 -7.245 -9.184 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -7.595 -6.759 -8.284 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.982 -5.650 -8.399 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -9.574 -6.309 -11.333 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -9.514 -4.619 -10.779 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -8.491 -5.148 -12.135 1.00 0.00 H new ATOM 1343 N VAL A 90 -7.165 -3.492 -7.138 1.00 0.00 N ATOM 1344 CA VAL A 90 -7.483 -3.582 -5.725 1.00 0.00 C ATOM 1345 C VAL A 90 -8.187 -2.287 -5.264 1.00 0.00 C ATOM 1346 O VAL A 90 -9.116 -2.361 -4.445 1.00 0.00 O ATOM 1347 CB VAL A 90 -6.182 -3.904 -4.950 1.00 0.00 C ATOM 1348 CG1 VAL A 90 -6.501 -4.254 -3.493 1.00 0.00 C ATOM 1349 CG2 VAL A 90 -5.402 -5.096 -5.539 1.00 0.00 C ATOM 0 H VAL A 90 -6.164 -3.541 -7.328 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.187 -4.389 -5.521 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.568 -3.006 -5.027 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.576 -4.478 -2.962 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.998 -3.409 -3.016 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.156 -5.124 -3.463 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.502 -5.269 -4.950 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.028 -5.988 -5.515 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.124 -4.875 -6.570 1.00 0.00 H new ATOM 1359 N ALA A 91 -7.811 -1.121 -5.816 1.00 0.00 N ATOM 1360 CA ALA A 91 -8.424 0.173 -5.520 1.00 0.00 C ATOM 1361 C ALA A 91 -9.901 0.242 -5.947 1.00 0.00 C ATOM 1362 O ALA A 91 -10.620 1.130 -5.491 1.00 0.00 O ATOM 1363 CB ALA A 91 -7.640 1.303 -6.193 1.00 0.00 C ATOM 0 H ALA A 91 -7.054 -1.057 -6.496 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.391 0.293 -4.437 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.110 2.259 -5.962 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.614 1.304 -5.824 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.637 1.151 -7.272 1.00 0.00 H new ATOM 1369 N GLU A 92 -10.393 -0.689 -6.770 1.00 0.00 N ATOM 1370 CA GLU A 92 -11.807 -0.825 -7.127 1.00 0.00 C ATOM 1371 C GLU A 92 -12.294 -2.255 -6.878 1.00 0.00 C ATOM 1372 O GLU A 92 -13.180 -2.770 -7.569 1.00 0.00 O ATOM 1373 CB GLU A 92 -12.084 -0.329 -8.550 1.00 0.00 C ATOM 1374 CG GLU A 92 -11.248 -1.041 -9.618 1.00 0.00 C ATOM 1375 CD GLU A 92 -11.769 -0.770 -11.019 1.00 0.00 C ATOM 1376 OE1 GLU A 92 -11.398 0.274 -11.605 1.00 0.00 O ATOM 1377 OE2 GLU A 92 -12.528 -1.618 -11.545 1.00 0.00 O ATOM 0 H GLU A 92 -9.801 -1.388 -7.219 1.00 0.00 H new ATOM 0 HA GLU A 92 -12.391 -0.177 -6.473 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -13.141 -0.468 -8.775 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.885 0.742 -8.598 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.211 -0.712 -9.546 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.256 -2.114 -9.429 1.00 0.00 H new ATOM 1384 N LEU A 93 -11.736 -2.902 -5.854 1.00 0.00 N ATOM 1385 CA LEU A 93 -12.270 -4.137 -5.298 1.00 0.00 C ATOM 1386 C LEU A 93 -12.789 -3.857 -3.896 1.00 0.00 C ATOM 1387 O LEU A 93 -13.943 -4.163 -3.601 1.00 0.00 O ATOM 1388 CB LEU A 93 -11.192 -5.232 -5.302 1.00 0.00 C ATOM 1389 CG LEU A 93 -11.712 -6.585 -4.777 1.00 0.00 C ATOM 1390 CD1 LEU A 93 -12.664 -7.265 -5.760 1.00 0.00 C ATOM 1391 CD2 LEU A 93 -10.523 -7.511 -4.536 1.00 0.00 C ATOM 0 H LEU A 93 -10.891 -2.576 -5.385 1.00 0.00 H new ATOM 0 HA LEU A 93 -13.096 -4.500 -5.909 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -10.816 -5.362 -6.317 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -10.350 -4.909 -4.689 1.00 0.00 H new ATOM 0 HG LEU A 93 -12.262 -6.391 -3.856 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -13.001 -8.214 -5.343 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.525 -6.620 -5.938 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -12.146 -7.447 -6.702 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.879 -8.472 -4.164 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.984 -7.661 -5.471 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.856 -7.062 -3.800 1.00 0.00 H new ATOM 1403 N VAL A 94 -11.959 -3.278 -3.020 1.00 0.00 N ATOM 1404 CA VAL A 94 -12.322 -3.112 -1.613 1.00 0.00 C ATOM 1405 C VAL A 94 -13.596 -2.279 -1.459 1.00 0.00 C ATOM 1406 O VAL A 94 -14.507 -2.682 -0.735 1.00 0.00 O ATOM 1407 CB VAL A 94 -11.144 -2.548 -0.797 1.00 0.00 C ATOM 1408 CG1 VAL A 94 -9.980 -3.550 -0.790 1.00 0.00 C ATOM 1409 CG2 VAL A 94 -10.611 -1.198 -1.289 1.00 0.00 C ATOM 0 H VAL A 94 -11.036 -2.919 -3.262 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.545 -4.097 -1.203 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.547 -2.385 0.203 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -9.152 -3.142 -0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -10.309 -4.487 -0.342 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.651 -3.733 -1.813 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.784 -0.880 -0.654 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -10.262 -1.297 -2.317 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -11.407 -0.455 -1.246 1.00 0.00 H new ATOM 1419 N ALA A 95 -13.699 -1.164 -2.188 1.00 0.00 N ATOM 1420 CA ALA A 95 -14.830 -0.252 -2.104 1.00 0.00 C ATOM 1421 C ALA A 95 -16.146 -0.917 -2.543 1.00 0.00 C ATOM 1422 O ALA A 95 -17.233 -0.481 -2.159 1.00 0.00 O ATOM 1423 CB ALA A 95 -14.526 0.970 -2.979 1.00 0.00 C ATOM 0 H ALA A 95 -12.989 -0.871 -2.859 1.00 0.00 H new ATOM 0 HA ALA A 95 -14.967 0.046 -1.064 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -15.361 1.668 -2.931 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.622 1.460 -2.618 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -14.378 0.651 -4.011 1.00 0.00 H new ATOM 1429 N LEU A 96 -16.058 -1.976 -3.354 1.00 0.00 N ATOM 1430 CA LEU A 96 -17.184 -2.738 -3.888 1.00 0.00 C ATOM 1431 C LEU A 96 -17.471 -3.960 -3.003 1.00 0.00 C ATOM 1432 O LEU A 96 -18.505 -4.606 -3.158 1.00 0.00 O ATOM 1433 CB LEU A 96 -16.878 -3.182 -5.334 1.00 0.00 C ATOM 1434 CG LEU A 96 -16.883 -2.050 -6.384 1.00 0.00 C ATOM 1435 CD1 LEU A 96 -15.776 -1.004 -6.189 1.00 0.00 C ATOM 1436 CD2 LEU A 96 -16.747 -2.640 -7.788 1.00 0.00 C ATOM 0 H LEU A 96 -15.158 -2.339 -3.668 1.00 0.00 H new ATOM 0 HA LEU A 96 -18.069 -2.102 -3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -15.901 -3.666 -5.350 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -17.611 -3.933 -5.629 1.00 0.00 H new ATOM 0 HG LEU A 96 -17.836 -1.537 -6.254 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -15.851 -0.245 -6.968 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -15.888 -0.534 -5.212 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -14.802 -1.490 -6.248 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -16.751 -1.835 -8.523 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -15.811 -3.193 -7.861 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -17.582 -3.313 -7.982 1.00 0.00 H new ATOM 1448 N ASN A 97 -16.573 -4.275 -2.062 1.00 0.00 N ATOM 1449 CA ASN A 97 -16.635 -5.413 -1.146 1.00 0.00 C ATOM 1450 C ASN A 97 -16.853 -4.944 0.298 1.00 0.00 C ATOM 1451 O ASN A 97 -16.723 -5.754 1.218 1.00 0.00 O ATOM 1452 CB ASN A 97 -15.376 -6.298 -1.285 1.00 0.00 C ATOM 1453 CG ASN A 97 -15.489 -7.250 -2.467 1.00 0.00 C ATOM 1454 OD1 ASN A 97 -15.795 -8.434 -2.314 1.00 0.00 O ATOM 1455 ND2 ASN A 97 -15.235 -6.747 -3.659 1.00 0.00 N ATOM 0 H ASN A 97 -15.738 -3.709 -1.914 1.00 0.00 H new ATOM 0 HA ASN A 97 -17.494 -6.027 -1.416 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -14.497 -5.665 -1.409 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -15.230 -6.870 -0.369 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -15.289 -7.342 -4.486 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -14.984 -5.763 -3.754 1.00 0.00 H new ATOM 1462 N GLY A 98 -17.175 -3.669 0.540 1.00 0.00 N ATOM 1463 CA GLY A 98 -17.608 -3.181 1.848 1.00 0.00 C ATOM 1464 C GLY A 98 -16.691 -2.146 2.493 1.00 0.00 C ATOM 1465 O GLY A 98 -16.921 -1.789 3.645 1.00 0.00 O ATOM 0 H GLY A 98 -17.141 -2.942 -0.175 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.603 -2.747 1.745 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -17.700 -4.032 2.523 1.00 0.00 H new ATOM 1469 N PHE A 99 -15.654 -1.667 1.805 1.00 0.00 N ATOM 1470 CA PHE A 99 -14.946 -0.467 2.248 1.00 0.00 C ATOM 1471 C PHE A 99 -15.648 0.789 1.713 1.00 0.00 C ATOM 1472 O PHE A 99 -16.567 0.684 0.897 1.00 0.00 O ATOM 1473 CB PHE A 99 -13.481 -0.508 1.803 1.00 0.00 C ATOM 1474 CG PHE A 99 -12.565 -1.367 2.654 1.00 0.00 C ATOM 1475 CD1 PHE A 99 -12.730 -2.764 2.705 1.00 0.00 C ATOM 1476 CD2 PHE A 99 -11.558 -0.755 3.423 1.00 0.00 C ATOM 1477 CE1 PHE A 99 -11.910 -3.536 3.546 1.00 0.00 C ATOM 1478 CE2 PHE A 99 -10.724 -1.531 4.246 1.00 0.00 C ATOM 1479 CZ PHE A 99 -10.906 -2.922 4.314 1.00 0.00 C ATOM 0 H PHE A 99 -15.290 -2.086 0.949 1.00 0.00 H new ATOM 0 HA PHE A 99 -14.963 -0.433 3.337 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -13.441 -0.871 0.776 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -13.093 0.510 1.796 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -13.485 -3.242 2.099 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -11.425 0.316 3.381 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -12.052 -4.605 3.602 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -9.944 -1.059 4.825 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.275 -3.519 4.956 1.00 0.00 H new ATOM 1489 N LYS A 100 -15.183 1.978 2.126 1.00 0.00 N ATOM 1490 CA LYS A 100 -15.640 3.250 1.569 1.00 0.00 C ATOM 1491 C LYS A 100 -15.166 3.405 0.123 1.00 0.00 C ATOM 1492 O LYS A 100 -15.846 2.955 -0.792 1.00 0.00 O ATOM 1493 CB LYS A 100 -15.269 4.439 2.481 1.00 0.00 C ATOM 1494 CG LYS A 100 -15.843 5.807 2.045 1.00 0.00 C ATOM 1495 CD LYS A 100 -17.274 5.802 1.473 1.00 0.00 C ATOM 1496 CE LYS A 100 -18.295 5.188 2.442 1.00 0.00 C ATOM 1497 NZ LYS A 100 -19.471 4.627 1.747 1.00 0.00 N ATOM 0 H LYS A 100 -14.479 2.079 2.857 1.00 0.00 H new ATOM 0 HA LYS A 100 -16.729 3.248 1.536 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -15.616 4.223 3.492 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -14.183 4.516 2.526 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -15.822 6.476 2.906 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -15.177 6.233 1.294 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -17.571 6.824 1.238 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -17.285 5.243 0.537 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -17.812 4.402 3.023 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -18.624 5.950 3.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -20.128 4.226 2.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -19.950 5.380 1.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -19.163 3.880 1.092 1.00 0.00 H new ATOM 1511 N SER A 101 -14.019 4.038 -0.086 1.00 0.00 N ATOM 1512 CA SER A 101 -13.455 4.398 -1.381 1.00 0.00 C ATOM 1513 C SER A 101 -11.961 4.122 -1.296 1.00 0.00 C ATOM 1514 O SER A 101 -11.417 4.210 -0.195 1.00 0.00 O ATOM 1515 CB SER A 101 -13.688 5.891 -1.625 1.00 0.00 C ATOM 1516 OG SER A 101 -15.053 6.244 -1.458 1.00 0.00 O ATOM 0 H SER A 101 -13.423 4.331 0.688 1.00 0.00 H new ATOM 0 HA SER A 101 -13.913 3.832 -2.193 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.075 6.472 -0.936 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.366 6.149 -2.634 1.00 0.00 H new ATOM 0 HG SER A 101 -15.165 7.204 -1.620 1.00 0.00 H new ATOM 1522 N ALA A 102 -11.280 3.764 -2.383 1.00 0.00 N ATOM 1523 CA ALA A 102 -9.858 3.443 -2.316 1.00 0.00 C ATOM 1524 C ALA A 102 -9.077 4.123 -3.437 1.00 0.00 C ATOM 1525 O ALA A 102 -9.650 4.809 -4.287 1.00 0.00 O ATOM 1526 CB ALA A 102 -9.667 1.922 -2.253 1.00 0.00 C ATOM 0 H ALA A 102 -11.688 3.690 -3.315 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.437 3.848 -1.396 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.603 1.691 -2.203 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.166 1.529 -1.367 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.097 1.464 -3.144 1.00 0.00 H new ATOM 1532 N TYR A 103 -7.757 3.989 -3.370 1.00 0.00 N ATOM 1533 CA TYR A 103 -6.789 4.672 -4.207 1.00 0.00 C ATOM 1534 C TYR A 103 -5.626 3.734 -4.497 1.00 0.00 C ATOM 1535 O TYR A 103 -5.267 2.883 -3.673 1.00 0.00 O ATOM 1536 CB TYR A 103 -6.226 5.879 -3.447 1.00 0.00 C ATOM 1537 CG TYR A 103 -7.032 7.162 -3.492 1.00 0.00 C ATOM 1538 CD1 TYR A 103 -8.195 7.308 -2.711 1.00 0.00 C ATOM 1539 CD2 TYR A 103 -6.559 8.246 -4.253 1.00 0.00 C ATOM 1540 CE1 TYR A 103 -8.904 8.522 -2.709 1.00 0.00 C ATOM 1541 CE2 TYR A 103 -7.244 9.470 -4.239 1.00 0.00 C ATOM 1542 CZ TYR A 103 -8.421 9.618 -3.468 1.00 0.00 C ATOM 1543 OH TYR A 103 -9.061 10.819 -3.463 1.00 0.00 O ATOM 0 H TYR A 103 -7.315 3.367 -2.693 1.00 0.00 H new ATOM 0 HA TYR A 103 -7.275 4.986 -5.131 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -6.103 5.593 -2.402 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -5.231 6.091 -3.839 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -8.544 6.482 -2.110 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -5.666 8.136 -4.850 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -9.812 8.619 -2.132 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -6.872 10.302 -4.818 1.00 0.00 H new ATOM 0 HH TYR A 103 -8.581 11.448 -4.042 1.00 0.00 H new ATOM 1553 N ALA A 104 -4.957 3.990 -5.618 1.00 0.00 N ATOM 1554 CA ALA A 104 -3.654 3.441 -5.949 1.00 0.00 C ATOM 1555 C ALA A 104 -2.622 4.576 -5.996 1.00 0.00 C ATOM 1556 O ALA A 104 -2.968 5.737 -6.252 1.00 0.00 O ATOM 1557 CB ALA A 104 -3.762 2.687 -7.274 1.00 0.00 C ATOM 0 H ALA A 104 -5.323 4.607 -6.343 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.319 2.734 -5.190 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -2.790 2.269 -7.535 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -4.489 1.881 -7.176 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.084 3.373 -8.058 1.00 0.00 H new ATOM 1563 N ILE A 105 -1.361 4.238 -5.739 1.00 0.00 N ATOM 1564 CA ILE A 105 -0.189 5.073 -5.953 1.00 0.00 C ATOM 1565 C ILE A 105 0.470 4.482 -7.193 1.00 0.00 C ATOM 1566 O ILE A 105 0.710 3.276 -7.250 1.00 0.00 O ATOM 1567 CB ILE A 105 0.769 5.114 -4.726 1.00 0.00 C ATOM 1568 CG1 ILE A 105 2.220 5.367 -5.187 1.00 0.00 C ATOM 1569 CG2 ILE A 105 0.719 3.874 -3.831 1.00 0.00 C ATOM 1570 CD1 ILE A 105 3.198 5.749 -4.084 1.00 0.00 C ATOM 0 H ILE A 105 -1.120 3.324 -5.355 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.460 6.120 -6.089 1.00 0.00 H new ATOM 0 HB ILE A 105 0.411 5.939 -4.111 1.00 0.00 H new ATOM 0 HG12 ILE A 105 2.588 4.468 -5.681 1.00 0.00 H new ATOM 0 HG13 ILE A 105 2.213 6.161 -5.934 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.419 3.994 -3.004 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -0.290 3.750 -3.437 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.992 2.994 -4.413 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.188 5.904 -4.513 1.00 0.00 H new ATOM 0 HD12 ILE A 105 2.863 6.668 -3.603 1.00 0.00 H new ATOM 0 HD13 ILE A 105 3.244 4.949 -3.346 1.00 0.00 H new ATOM 1582 N LYS A 106 0.746 5.320 -8.188 1.00 0.00 N ATOM 1583 CA LYS A 106 1.456 4.860 -9.369 1.00 0.00 C ATOM 1584 C LYS A 106 2.940 4.669 -9.072 1.00 0.00 C ATOM 1585 O LYS A 106 3.462 5.271 -8.136 1.00 0.00 O ATOM 1586 CB LYS A 106 1.254 5.882 -10.488 1.00 0.00 C ATOM 1587 CG LYS A 106 1.175 5.177 -11.851 1.00 0.00 C ATOM 1588 CD LYS A 106 -0.115 4.353 -12.035 1.00 0.00 C ATOM 1589 CE LYS A 106 -0.139 3.564 -13.346 1.00 0.00 C ATOM 1590 NZ LYS A 106 0.787 2.415 -13.376 1.00 0.00 N ATOM 0 H LYS A 106 0.491 6.308 -8.198 1.00 0.00 H new ATOM 0 HA LYS A 106 1.060 3.893 -9.679 1.00 0.00 H new ATOM 0 HB2 LYS A 106 0.340 6.448 -10.311 1.00 0.00 H new ATOM 0 HB3 LYS A 106 2.077 6.597 -10.489 1.00 0.00 H new ATOM 0 HG2 LYS A 106 1.238 5.923 -12.643 1.00 0.00 H new ATOM 0 HG3 LYS A 106 2.037 4.520 -11.963 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -0.220 3.661 -11.199 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -0.975 5.023 -12.005 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -1.153 3.204 -13.522 1.00 0.00 H new ATOM 0 HE3 LYS A 106 0.108 4.237 -14.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 0.712 1.933 -14.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 1.762 2.751 -13.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 0.540 1.750 -12.615 1.00 0.00 H new ATOM 1604 N ASP A 107 3.621 3.866 -9.898 1.00 0.00 N ATOM 1605 CA ASP A 107 5.013 3.436 -9.727 1.00 0.00 C ATOM 1606 C ASP A 107 5.264 2.754 -8.370 1.00 0.00 C ATOM 1607 O ASP A 107 6.416 2.542 -7.987 1.00 0.00 O ATOM 1608 CB ASP A 107 6.003 4.580 -10.049 1.00 0.00 C ATOM 1609 CG ASP A 107 6.465 4.668 -11.508 1.00 0.00 C ATOM 1610 OD1 ASP A 107 6.389 3.687 -12.288 1.00 0.00 O ATOM 1611 OD2 ASP A 107 6.944 5.758 -11.893 1.00 0.00 O ATOM 0 H ASP A 107 3.197 3.481 -10.742 1.00 0.00 H new ATOM 0 HA ASP A 107 5.206 2.656 -10.464 1.00 0.00 H new ATOM 0 HB2 ASP A 107 5.536 5.527 -9.777 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.882 4.464 -9.415 1.00 0.00 H new ATOM 1616 N GLY A 108 4.190 2.376 -7.663 1.00 0.00 N ATOM 1617 CA GLY A 108 4.196 1.675 -6.394 1.00 0.00 C ATOM 1618 C GLY A 108 5.211 2.257 -5.422 1.00 0.00 C ATOM 1619 O GLY A 108 5.118 3.425 -5.040 1.00 0.00 O ATOM 0 H GLY A 108 3.243 2.568 -7.991 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.202 1.722 -5.950 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.420 0.622 -6.563 1.00 0.00 H new ATOM 1623 N ALA A 109 6.159 1.435 -4.982 1.00 0.00 N ATOM 1624 CA ALA A 109 7.217 1.827 -4.080 1.00 0.00 C ATOM 1625 C ALA A 109 8.472 2.195 -4.850 1.00 0.00 C ATOM 1626 O ALA A 109 9.097 3.196 -4.515 1.00 0.00 O ATOM 1627 CB ALA A 109 7.510 0.695 -3.086 1.00 0.00 C ATOM 0 H ALA A 109 6.207 0.453 -5.255 1.00 0.00 H new ATOM 0 HA ALA A 109 6.890 2.706 -3.525 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.309 1.001 -2.411 1.00 0.00 H new ATOM 0 HB2 ALA A 109 6.612 0.476 -2.509 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.818 -0.197 -3.631 1.00 0.00 H new ATOM 1633 N GLU A 110 8.880 1.348 -5.790 1.00 0.00 N ATOM 1634 CA GLU A 110 10.236 1.313 -6.309 1.00 0.00 C ATOM 1635 C GLU A 110 10.446 2.237 -7.509 1.00 0.00 C ATOM 1636 O GLU A 110 11.600 2.515 -7.847 1.00 0.00 O ATOM 1637 CB GLU A 110 10.596 -0.118 -6.731 1.00 0.00 C ATOM 1638 CG GLU A 110 10.753 -1.099 -5.564 1.00 0.00 C ATOM 1639 CD GLU A 110 11.466 -2.360 -6.054 1.00 0.00 C ATOM 1640 OE1 GLU A 110 12.720 -2.373 -6.088 1.00 0.00 O ATOM 1641 OE2 GLU A 110 10.794 -3.341 -6.449 1.00 0.00 O ATOM 0 H GLU A 110 8.264 0.656 -6.217 1.00 0.00 H new ATOM 0 HA GLU A 110 10.881 1.662 -5.503 1.00 0.00 H new ATOM 0 HB2 GLU A 110 9.823 -0.491 -7.403 1.00 0.00 H new ATOM 0 HB3 GLU A 110 11.527 -0.094 -7.298 1.00 0.00 H new ATOM 0 HG2 GLU A 110 11.323 -0.635 -4.759 1.00 0.00 H new ATOM 0 HG3 GLU A 110 9.775 -1.356 -5.156 1.00 0.00 H new ATOM 1648 N GLY A 111 9.383 2.683 -8.186 1.00 0.00 N ATOM 1649 CA GLY A 111 9.522 3.383 -9.456 1.00 0.00 C ATOM 1650 C GLY A 111 10.148 4.772 -9.294 1.00 0.00 C ATOM 1651 O GLY A 111 10.231 5.302 -8.181 1.00 0.00 O ATOM 0 H GLY A 111 8.419 2.569 -7.871 1.00 0.00 H new ATOM 0 HA2 GLY A 111 10.137 2.787 -10.130 1.00 0.00 H new ATOM 0 HA3 GLY A 111 8.542 3.482 -9.922 1.00 0.00 H new ATOM 1655 N PRO A 112 10.551 5.426 -10.395 1.00 0.00 N ATOM 1656 CA PRO A 112 11.213 6.729 -10.366 1.00 0.00 C ATOM 1657 C PRO A 112 10.295 7.840 -9.854 1.00 0.00 C ATOM 1658 O PRO A 112 10.759 8.923 -9.486 1.00 0.00 O ATOM 1659 CB PRO A 112 11.684 6.990 -11.798 1.00 0.00 C ATOM 1660 CG PRO A 112 10.765 6.118 -12.651 1.00 0.00 C ATOM 1661 CD PRO A 112 10.495 4.918 -11.749 1.00 0.00 C ATOM 0 HA PRO A 112 12.050 6.723 -9.668 1.00 0.00 H new ATOM 0 HB2 PRO A 112 11.594 8.044 -12.063 1.00 0.00 H new ATOM 0 HB3 PRO A 112 12.731 6.716 -11.931 1.00 0.00 H new ATOM 0 HG2 PRO A 112 9.845 6.639 -12.915 1.00 0.00 H new ATOM 0 HG3 PRO A 112 11.243 5.821 -13.585 1.00 0.00 H new ATOM 0 HD2 PRO A 112 9.520 4.479 -11.963 1.00 0.00 H new ATOM 0 HD3 PRO A 112 11.238 4.136 -11.905 1.00 0.00 H new ATOM 1669 N ARG A 113 8.998 7.552 -9.773 1.00 0.00 N ATOM 1670 CA ARG A 113 7.966 8.405 -9.218 1.00 0.00 C ATOM 1671 C ARG A 113 7.109 7.642 -8.201 1.00 0.00 C ATOM 1672 O ARG A 113 6.018 8.119 -7.892 1.00 0.00 O ATOM 1673 CB ARG A 113 7.156 8.956 -10.395 1.00 0.00 C ATOM 1674 CG ARG A 113 7.941 9.950 -11.263 1.00 0.00 C ATOM 1675 CD ARG A 113 7.097 10.318 -12.480 1.00 0.00 C ATOM 1676 NE ARG A 113 7.630 11.497 -13.170 1.00 0.00 N ATOM 1677 CZ ARG A 113 6.902 12.477 -13.711 1.00 0.00 C ATOM 1678 NH1 ARG A 113 5.577 12.440 -13.715 1.00 0.00 N ATOM 1679 NH2 ARG A 113 7.507 13.519 -14.254 1.00 0.00 N ATOM 0 H ARG A 113 8.625 6.666 -10.114 1.00 0.00 H new ATOM 0 HA ARG A 113 8.396 9.236 -8.659 1.00 0.00 H new ATOM 0 HB2 ARG A 113 6.823 8.126 -11.018 1.00 0.00 H new ATOM 0 HB3 ARG A 113 6.261 9.447 -10.013 1.00 0.00 H new ATOM 0 HG2 ARG A 113 8.183 10.844 -10.688 1.00 0.00 H new ATOM 0 HG3 ARG A 113 8.886 9.509 -11.579 1.00 0.00 H new ATOM 0 HD2 ARG A 113 7.066 9.475 -13.170 1.00 0.00 H new ATOM 0 HD3 ARG A 113 6.071 10.512 -12.167 1.00 0.00 H new ATOM 0 HE ARG A 113 8.644 11.575 -13.243 1.00 0.00 H new ATOM 0 HH11 ARG A 113 5.088 11.648 -13.297 1.00 0.00 H new ATOM 0 HH12 ARG A 113 5.047 13.203 -14.136 1.00 0.00 H new ATOM 0 HH21 ARG A 113 8.526 13.572 -14.259 1.00 0.00 H new ATOM 0 HH22 ARG A 113 6.955 14.270 -14.669 1.00 0.00 H new ATOM 1693 N GLY A 114 7.561 6.481 -7.717 1.00 0.00 N ATOM 1694 CA GLY A 114 6.889 5.687 -6.695 1.00 0.00 C ATOM 1695 C GLY A 114 7.061 6.327 -5.323 1.00 0.00 C ATOM 1696 O GLY A 114 7.420 7.497 -5.203 1.00 0.00 O ATOM 0 H GLY A 114 8.432 6.059 -8.039 1.00 0.00 H new ATOM 0 HA2 GLY A 114 5.829 5.601 -6.932 1.00 0.00 H new ATOM 0 HA3 GLY A 114 7.297 4.676 -6.685 1.00 0.00 H new ATOM 1700 N TRP A 115 6.781 5.568 -4.270 1.00 0.00 N ATOM 1701 CA TRP A 115 6.877 6.020 -2.890 1.00 0.00 C ATOM 1702 C TRP A 115 8.303 6.441 -2.541 1.00 0.00 C ATOM 1703 O TRP A 115 8.504 7.484 -1.913 1.00 0.00 O ATOM 1704 CB TRP A 115 6.445 4.875 -1.966 1.00 0.00 C ATOM 1705 CG TRP A 115 6.182 5.249 -0.544 1.00 0.00 C ATOM 1706 CD1 TRP A 115 7.136 5.544 0.363 1.00 0.00 C ATOM 1707 CD2 TRP A 115 4.912 5.365 0.157 1.00 0.00 C ATOM 1708 NE1 TRP A 115 6.553 5.838 1.574 1.00 0.00 N ATOM 1709 CE2 TRP A 115 5.175 5.739 1.510 1.00 0.00 C ATOM 1710 CE3 TRP A 115 3.564 5.183 -0.214 1.00 0.00 C ATOM 1711 CZ2 TRP A 115 4.140 5.917 2.445 1.00 0.00 C ATOM 1712 CZ3 TRP A 115 2.522 5.370 0.711 1.00 0.00 C ATOM 1713 CH2 TRP A 115 2.808 5.747 2.033 1.00 0.00 C ATOM 0 H TRP A 115 6.474 4.599 -4.356 1.00 0.00 H new ATOM 0 HA TRP A 115 6.228 6.886 -2.760 1.00 0.00 H new ATOM 0 HB2 TRP A 115 5.541 4.424 -2.376 1.00 0.00 H new ATOM 0 HB3 TRP A 115 7.220 4.108 -1.983 1.00 0.00 H new ATOM 0 HD1 TRP A 115 8.198 5.549 0.168 1.00 0.00 H new ATOM 0 HE1 TRP A 115 7.072 6.096 2.413 1.00 0.00 H new ATOM 0 HE3 TRP A 115 3.328 4.895 -1.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 4.366 6.181 3.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 1.497 5.223 0.403 1.00 0.00 H new ATOM 0 HH2 TRP A 115 2.002 5.907 2.734 1.00 0.00 H new ATOM 1724 N LEU A 116 9.281 5.585 -2.849 1.00 0.00 N ATOM 1725 CA LEU A 116 10.675 5.856 -2.739 1.00 0.00 C ATOM 1726 C LEU A 116 10.995 6.863 -3.823 1.00 0.00 C ATOM 1727 O LEU A 116 10.186 7.271 -4.655 1.00 0.00 O ATOM 1728 CB LEU A 116 11.494 4.560 -2.920 1.00 0.00 C ATOM 1729 CG LEU A 116 11.272 3.504 -1.821 1.00 0.00 C ATOM 1730 CD1 LEU A 116 11.972 2.196 -2.207 1.00 0.00 C ATOM 1731 CD2 LEU A 116 11.816 3.987 -0.471 1.00 0.00 C ATOM 0 H LEU A 116 9.089 4.645 -3.196 1.00 0.00 H new ATOM 0 HA LEU A 116 10.931 6.250 -1.755 1.00 0.00 H new ATOM 0 HB2 LEU A 116 11.244 4.119 -3.885 1.00 0.00 H new ATOM 0 HB3 LEU A 116 12.553 4.816 -2.951 1.00 0.00 H new ATOM 0 HG LEU A 116 10.199 3.339 -1.726 1.00 0.00 H new ATOM 0 HD11 LEU A 116 11.811 1.453 -1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 116 11.562 1.828 -3.148 1.00 0.00 H new ATOM 0 HD13 LEU A 116 13.041 2.376 -2.322 1.00 0.00 H new ATOM 0 HD21 LEU A 116 11.645 3.221 0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 116 12.885 4.179 -0.557 1.00 0.00 H new ATOM 0 HD23 LEU A 116 11.305 4.905 -0.180 1.00 0.00 H new ATOM 1743 N ASN A 117 12.219 7.311 -3.696 1.00 0.00 N ATOM 1744 CA ASN A 117 12.861 8.424 -4.356 1.00 0.00 C ATOM 1745 C ASN A 117 11.875 9.552 -4.716 1.00 0.00 C ATOM 1746 O ASN A 117 11.865 10.044 -5.846 1.00 0.00 O ATOM 1747 CB ASN A 117 13.731 7.878 -5.487 1.00 0.00 C ATOM 1748 CG ASN A 117 13.026 7.027 -6.544 1.00 0.00 C ATOM 1749 OD1 ASN A 117 13.555 6.003 -6.970 1.00 0.00 O ATOM 1750 ND2 ASN A 117 11.869 7.409 -7.041 1.00 0.00 N ATOM 0 H ASN A 117 12.865 6.852 -3.054 1.00 0.00 H new ATOM 0 HA ASN A 117 13.537 8.944 -3.677 1.00 0.00 H new ATOM 0 HB2 ASN A 117 14.205 8.721 -5.989 1.00 0.00 H new ATOM 0 HB3 ASN A 117 14.529 7.281 -5.045 1.00 0.00 H new ATOM 0 HD21 ASN A 117 11.421 6.857 -7.772 1.00 0.00 H new ATOM 0 HD22 ASN A 117 11.420 8.257 -6.695 1.00 0.00 H new ATOM 1757 N SER A 118 11.036 9.938 -3.743 1.00 0.00 N ATOM 1758 CA SER A 118 9.976 10.936 -3.868 1.00 0.00 C ATOM 1759 C SER A 118 9.745 11.744 -2.579 1.00 0.00 C ATOM 1760 O SER A 118 8.784 12.512 -2.534 1.00 0.00 O ATOM 1761 CB SER A 118 8.671 10.268 -4.324 1.00 0.00 C ATOM 1762 OG SER A 118 8.810 9.688 -5.608 1.00 0.00 O ATOM 0 H SER A 118 11.085 9.541 -2.805 1.00 0.00 H new ATOM 0 HA SER A 118 10.307 11.650 -4.622 1.00 0.00 H new ATOM 0 HB2 SER A 118 8.383 9.501 -3.606 1.00 0.00 H new ATOM 0 HB3 SER A 118 7.869 11.006 -4.341 1.00 0.00 H new ATOM 0 HG SER A 118 8.597 8.733 -5.560 1.00 0.00 H new ATOM 1768 N SER A 119 10.593 11.592 -1.549 1.00 0.00 N ATOM 1769 CA SER A 119 10.675 12.367 -0.298 1.00 0.00 C ATOM 1770 C SER A 119 9.934 11.698 0.865 1.00 0.00 C ATOM 1771 O SER A 119 9.867 12.284 1.947 1.00 0.00 O ATOM 1772 CB SER A 119 10.196 13.823 -0.476 1.00 0.00 C ATOM 1773 OG SER A 119 10.649 14.677 0.556 1.00 0.00 O ATOM 0 H SER A 119 11.302 10.859 -1.571 1.00 0.00 H new ATOM 0 HA SER A 119 11.734 12.390 -0.042 1.00 0.00 H new ATOM 0 HB2 SER A 119 10.547 14.202 -1.436 1.00 0.00 H new ATOM 0 HB3 SER A 119 9.107 13.842 -0.505 1.00 0.00 H new ATOM 0 HG SER A 119 10.581 14.214 1.417 1.00 0.00 H new ATOM 1779 N LEU A 120 9.323 10.530 0.663 1.00 0.00 N ATOM 1780 CA LEU A 120 8.457 9.906 1.662 1.00 0.00 C ATOM 1781 C LEU A 120 9.276 9.100 2.675 1.00 0.00 C ATOM 1782 O LEU A 120 10.388 8.676 2.350 1.00 0.00 O ATOM 1783 CB LEU A 120 7.422 9.025 0.946 1.00 0.00 C ATOM 1784 CG LEU A 120 6.513 9.820 -0.004 1.00 0.00 C ATOM 1785 CD1 LEU A 120 5.468 8.905 -0.635 1.00 0.00 C ATOM 1786 CD2 LEU A 120 5.805 10.957 0.734 1.00 0.00 C ATOM 0 H LEU A 120 9.415 9.991 -0.198 1.00 0.00 H new ATOM 0 HA LEU A 120 7.935 10.681 2.224 1.00 0.00 H new ATOM 0 HB2 LEU A 120 7.941 8.251 0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 120 6.807 8.519 1.690 1.00 0.00 H new ATOM 0 HG LEU A 120 7.145 10.244 -0.784 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.833 9.485 -1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.967 8.118 -1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.856 8.457 0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.169 11.502 0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 120 5.194 10.545 1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 120 6.547 11.635 1.155 1.00 0.00 H new ATOM 1798 N PRO A 121 8.742 8.850 3.885 1.00 0.00 N ATOM 1799 CA PRO A 121 9.420 8.029 4.882 1.00 0.00 C ATOM 1800 C PRO A 121 9.398 6.556 4.462 1.00 0.00 C ATOM 1801 O PRO A 121 8.495 6.122 3.734 1.00 0.00 O ATOM 1802 CB PRO A 121 8.629 8.246 6.175 1.00 0.00 C ATOM 1803 CG PRO A 121 7.217 8.572 5.698 1.00 0.00 C ATOM 1804 CD PRO A 121 7.446 9.304 4.378 1.00 0.00 C ATOM 0 HA PRO A 121 10.469 8.300 5.001 1.00 0.00 H new ATOM 0 HB2 PRO A 121 8.642 7.356 6.804 1.00 0.00 H new ATOM 0 HB3 PRO A 121 9.048 9.060 6.766 1.00 0.00 H new ATOM 0 HG2 PRO A 121 6.622 7.669 5.558 1.00 0.00 H new ATOM 0 HG3 PRO A 121 6.685 9.196 6.416 1.00 0.00 H new ATOM 0 HD2 PRO A 121 6.655 9.076 3.663 1.00 0.00 H new ATOM 0 HD3 PRO A 121 7.441 10.384 4.525 1.00 0.00 H new ATOM 1812 N TRP A 122 10.314 5.751 5.001 1.00 0.00 N ATOM 1813 CA TRP A 122 10.399 4.310 4.775 1.00 0.00 C ATOM 1814 C TRP A 122 11.050 3.639 5.991 1.00 0.00 C ATOM 1815 O TRP A 122 11.881 4.270 6.641 1.00 0.00 O ATOM 1816 CB TRP A 122 11.229 4.070 3.510 1.00 0.00 C ATOM 1817 CG TRP A 122 11.026 2.730 2.890 1.00 0.00 C ATOM 1818 CD1 TRP A 122 11.953 1.758 2.793 1.00 0.00 C ATOM 1819 CD2 TRP A 122 9.862 2.247 2.158 1.00 0.00 C ATOM 1820 NE1 TRP A 122 11.429 0.687 2.099 1.00 0.00 N ATOM 1821 CE2 TRP A 122 10.136 0.933 1.688 1.00 0.00 C ATOM 1822 CE3 TRP A 122 8.626 2.818 1.798 1.00 0.00 C ATOM 1823 CZ2 TRP A 122 9.200 0.207 0.937 1.00 0.00 C ATOM 1824 CZ3 TRP A 122 7.687 2.105 1.030 1.00 0.00 C ATOM 1825 CH2 TRP A 122 7.966 0.794 0.615 1.00 0.00 C ATOM 0 H TRP A 122 11.041 6.097 5.628 1.00 0.00 H new ATOM 0 HA TRP A 122 9.406 3.881 4.642 1.00 0.00 H new ATOM 0 HB2 TRP A 122 10.983 4.838 2.777 1.00 0.00 H new ATOM 0 HB3 TRP A 122 12.285 4.189 3.754 1.00 0.00 H new ATOM 0 HD1 TRP A 122 12.953 1.809 3.197 1.00 0.00 H new ATOM 0 HE1 TRP A 122 11.935 -0.179 1.913 1.00 0.00 H new ATOM 0 HE3 TRP A 122 8.394 3.823 2.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 122 9.427 -0.797 0.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 122 6.749 2.568 0.759 1.00 0.00 H new ATOM 0 HH2 TRP A 122 7.233 0.238 0.049 1.00 0.00 H new ATOM 1836 N ILE A 123 10.694 2.391 6.321 1.00 0.00 N ATOM 1837 CA ILE A 123 11.294 1.663 7.448 1.00 0.00 C ATOM 1838 C ILE A 123 12.683 1.162 7.062 1.00 0.00 C ATOM 1839 O ILE A 123 13.556 1.125 7.930 1.00 0.00 O ATOM 1840 CB ILE A 123 10.389 0.499 7.943 1.00 0.00 C ATOM 1841 CG1 ILE A 123 9.077 1.079 8.479 1.00 0.00 C ATOM 1842 CG2 ILE A 123 11.057 -0.349 9.043 1.00 0.00 C ATOM 1843 CD1 ILE A 123 8.120 0.080 9.103 1.00 0.00 C ATOM 0 H ILE A 123 9.985 1.859 5.817 1.00 0.00 H new ATOM 0 HA ILE A 123 11.389 2.356 8.284 1.00 0.00 H new ATOM 0 HB ILE A 123 10.208 -0.159 7.093 1.00 0.00 H new ATOM 0 HG12 ILE A 123 9.315 1.839 9.223 1.00 0.00 H new ATOM 0 HG13 ILE A 123 8.563 1.583 7.661 1.00 0.00 H new ATOM 0 HG21 ILE A 123 10.380 -1.146 9.350 1.00 0.00 H new ATOM 0 HG22 ILE A 123 11.979 -0.785 8.657 1.00 0.00 H new ATOM 0 HG23 ILE A 123 11.286 0.283 9.901 1.00 0.00 H new ATOM 0 HD11 ILE A 123 7.226 0.599 9.448 1.00 0.00 H new ATOM 0 HD12 ILE A 123 7.841 -0.669 8.362 1.00 0.00 H new ATOM 0 HD13 ILE A 123 8.604 -0.409 9.948 1.00 0.00 H new ATOM 1855 N GLU A 124 12.866 0.808 5.785 1.00 0.00 N ATOM 1856 CA GLU A 124 13.999 0.088 5.207 1.00 0.00 C ATOM 1857 C GLU A 124 14.074 -1.378 5.662 1.00 0.00 C ATOM 1858 O GLU A 124 13.457 -1.768 6.664 1.00 0.00 O ATOM 1859 CB GLU A 124 15.312 0.862 5.434 1.00 0.00 C ATOM 1860 CG GLU A 124 15.540 1.899 4.335 1.00 0.00 C ATOM 1861 CD GLU A 124 17.026 2.202 4.251 1.00 0.00 C ATOM 1862 OE1 GLU A 124 17.528 3.029 5.044 1.00 0.00 O ATOM 1863 OE2 GLU A 124 17.704 1.517 3.457 1.00 0.00 O ATOM 0 H GLU A 124 12.169 1.037 5.076 1.00 0.00 H new ATOM 0 HA GLU A 124 13.838 0.035 4.130 1.00 0.00 H new ATOM 0 HB2 GLU A 124 15.282 1.357 6.404 1.00 0.00 H new ATOM 0 HB3 GLU A 124 16.149 0.164 5.458 1.00 0.00 H new ATOM 0 HG2 GLU A 124 15.177 1.522 3.379 1.00 0.00 H new ATOM 0 HG3 GLU A 124 14.981 2.809 4.552 1.00 0.00 H new ATOM 1870 N PRO A 125 14.820 -2.229 4.930 1.00 0.00 N ATOM 1871 CA PRO A 125 15.180 -3.552 5.405 1.00 0.00 C ATOM 1872 C PRO A 125 16.259 -3.443 6.501 1.00 0.00 C ATOM 1873 O PRO A 125 16.641 -2.352 6.925 1.00 0.00 O ATOM 1874 CB PRO A 125 15.675 -4.271 4.144 1.00 0.00 C ATOM 1875 CG PRO A 125 16.427 -3.168 3.411 1.00 0.00 C ATOM 1876 CD PRO A 125 15.579 -1.933 3.713 1.00 0.00 C ATOM 0 HA PRO A 125 14.359 -4.097 5.870 1.00 0.00 H new ATOM 0 HB2 PRO A 125 16.323 -5.113 4.385 1.00 0.00 H new ATOM 0 HB3 PRO A 125 14.850 -4.664 3.550 1.00 0.00 H new ATOM 0 HG2 PRO A 125 17.447 -3.059 3.778 1.00 0.00 H new ATOM 0 HG3 PRO A 125 16.493 -3.364 2.341 1.00 0.00 H new ATOM 0 HD2 PRO A 125 16.210 -1.056 3.855 1.00 0.00 H new ATOM 0 HD3 PRO A 125 14.908 -1.712 2.883 1.00 0.00 H new