USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 601 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 16 ASN : amide:sc=-0.00709 K(o=0.77,f=-1) USER MOD Set 1.2: A 74 ASN : amide:sc= 0.781 K(o=0.77,f=-0.56) USER MOD Set 2.1: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 48 SER OG : rot 16:sc= 0.942 USER MOD Single : A 9 HIS : no HD1:sc= -0.753 X(o=-0.75,f=-0.76) USER MOD Single : A 10 THR OG1 : rot -130:sc= -0.0956 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 38:sc= -0.62 USER MOD Single : A 20 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.153) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -70:sc= 0.302 USER MOD Single : A 28 ASN : amide:sc= -0.742 K(o=-0.74,f=-0.0012) USER MOD Single : A 34 SER OG : rot 55:sc= -4.81! USER MOD Single : A 36 ASN : amide:sc= -0.166 K(o=-0.17,f=-2.2!) USER MOD Single : A 37 CYS SG : rot 97:sc= -0.181 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 11:sc= 0.655 USER MOD Single : A 47 CYS SG : rot 180:sc= -0.897 USER MOD Single : A 55 ASN : amide:sc= -0.0638 K(o=-0.064,f=-1.7!) USER MOD Single : A 56 GLN : amide:sc= -0.0338 K(o=-0.034,f=-1.1) USER MOD Single : A 58 SER OG : rot -170:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0.655 K(o=0.65,f=-2.8!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 162:sc= -2.48! (180deg=-3.4!) USER MOD Single : A 68 ASN : amide:sc= -1.31 K(o=-1.3,f=-1.8) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0063 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 77 N HIS A 9 8.516 14.153 0.217 1.00 0.00 N ATOM 78 CA HIS A 9 7.639 12.997 0.066 1.00 0.00 C ATOM 79 C HIS A 9 6.748 12.827 1.292 1.00 0.00 C ATOM 80 O HIS A 9 7.098 13.256 2.392 1.00 0.00 O ATOM 81 CB HIS A 9 8.465 11.730 -0.158 1.00 0.00 C ATOM 82 CG HIS A 9 8.737 11.440 -1.602 1.00 0.00 C ATOM 83 ND1 HIS A 9 9.795 11.992 -2.294 1.00 0.00 N ATOM 84 CD2 HIS A 9 8.083 10.650 -2.486 1.00 0.00 C ATOM 85 CE1 HIS A 9 9.779 11.555 -3.540 1.00 0.00 C ATOM 86 NE2 HIS A 9 8.751 10.739 -3.683 1.00 0.00 N ATOM 0 HA HIS A 9 7.003 13.166 -0.803 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.414 11.827 0.370 1.00 0.00 H new ATOM 0 HB3 HIS A 9 7.941 10.882 0.282 1.00 0.00 H new ATOM 0 HD2 HIS A 9 7.201 10.060 -2.287 1.00 0.00 H new ATOM 0 HE1 HIS A 9 10.487 11.820 -4.311 1.00 0.00 H new ATOM 0 HE2 HIS A 9 8.494 10.254 -4.543 1.00 0.00 H new ATOM 94 N THR A 10 5.593 12.198 1.096 1.00 0.00 N ATOM 95 CA THR A 10 4.650 11.974 2.185 1.00 0.00 C ATOM 96 C THR A 10 4.326 10.492 2.334 1.00 0.00 C ATOM 97 O THR A 10 3.694 9.893 1.462 1.00 0.00 O ATOM 98 CB THR A 10 3.341 12.754 1.965 1.00 0.00 C ATOM 99 OG1 THR A 10 3.633 14.115 1.628 1.00 0.00 O ATOM 100 CG2 THR A 10 2.469 12.711 3.211 1.00 0.00 C ATOM 0 H THR A 10 5.288 11.835 0.193 1.00 0.00 H new ATOM 0 HA THR A 10 5.128 12.333 3.096 1.00 0.00 H new ATOM 0 HB THR A 10 2.798 12.285 1.145 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.105 14.713 2.197 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.550 13.269 3.031 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.225 11.676 3.448 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.007 13.158 4.047 1.00 0.00 H new ATOM 108 N LEU A 11 4.761 9.904 3.443 1.00 0.00 N ATOM 109 CA LEU A 11 4.516 8.491 3.708 1.00 0.00 C ATOM 110 C LEU A 11 3.286 8.307 4.591 1.00 0.00 C ATOM 111 O LEU A 11 2.988 9.147 5.442 1.00 0.00 O ATOM 112 CB LEU A 11 5.737 7.857 4.376 1.00 0.00 C ATOM 113 CG LEU A 11 7.071 8.043 3.651 1.00 0.00 C ATOM 114 CD1 LEU A 11 8.218 8.087 4.647 1.00 0.00 C ATOM 115 CD2 LEU A 11 7.285 6.929 2.636 1.00 0.00 C ATOM 0 H LEU A 11 5.286 10.385 4.174 1.00 0.00 H new ATOM 0 HA LEU A 11 4.333 7.995 2.755 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.832 8.269 5.381 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.552 6.788 4.486 1.00 0.00 H new ATOM 0 HG LEU A 11 7.044 8.993 3.118 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.159 8.220 4.113 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.071 8.919 5.335 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.248 7.153 5.209 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.239 7.077 2.129 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.291 5.967 3.148 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.478 6.945 1.903 1.00 0.00 H new ATOM 127 N LEU A 12 2.576 7.203 4.386 1.00 0.00 N ATOM 128 CA LEU A 12 1.379 6.907 5.165 1.00 0.00 C ATOM 129 C LEU A 12 1.607 5.707 6.079 1.00 0.00 C ATOM 130 O LEU A 12 2.472 4.870 5.817 1.00 0.00 O ATOM 131 CB LEU A 12 0.195 6.637 4.236 1.00 0.00 C ATOM 132 CG LEU A 12 -0.346 7.845 3.469 1.00 0.00 C ATOM 133 CD1 LEU A 12 -1.535 7.444 2.610 1.00 0.00 C ATOM 134 CD2 LEU A 12 -0.732 8.958 4.432 1.00 0.00 C ATOM 0 H LEU A 12 2.809 6.498 3.687 1.00 0.00 H new ATOM 0 HA LEU A 12 1.155 7.775 5.785 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.492 5.877 3.514 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.617 6.215 4.828 1.00 0.00 H new ATOM 0 HG LEU A 12 0.441 8.216 2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.906 8.316 2.072 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.227 6.681 1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.326 7.047 3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.115 9.809 3.869 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.502 8.598 5.114 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.144 9.265 5.003 1.00 0.00 H new ATOM 146 N TYR A 13 0.825 5.628 7.150 1.00 0.00 N ATOM 147 CA TYR A 13 0.942 4.531 8.102 1.00 0.00 C ATOM 148 C TYR A 13 -0.397 3.822 8.284 1.00 0.00 C ATOM 149 O TYR A 13 -1.328 4.371 8.874 1.00 0.00 O ATOM 150 CB TYR A 13 1.444 5.049 9.451 1.00 0.00 C ATOM 151 CG TYR A 13 2.794 5.726 9.374 1.00 0.00 C ATOM 152 CD1 TYR A 13 3.733 5.342 8.425 1.00 0.00 C ATOM 153 CD2 TYR A 13 3.129 6.751 10.251 1.00 0.00 C ATOM 154 CE1 TYR A 13 4.968 5.958 8.352 1.00 0.00 C ATOM 155 CE2 TYR A 13 4.361 7.373 10.185 1.00 0.00 C ATOM 156 CZ TYR A 13 5.277 6.973 9.234 1.00 0.00 C ATOM 157 OH TYR A 13 6.505 7.589 9.164 1.00 0.00 O ATOM 0 H TYR A 13 0.103 6.311 7.380 1.00 0.00 H new ATOM 0 HA TYR A 13 1.661 3.815 7.705 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.716 5.753 9.854 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.504 4.216 10.151 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.494 4.549 7.732 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.414 7.067 10.997 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.687 5.647 7.609 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.606 8.168 10.874 1.00 0.00 H new ATOM 0 HH TYR A 13 6.563 8.283 9.854 1.00 0.00 H new ATOM 167 N VAL A 14 -0.486 2.599 7.772 1.00 0.00 N ATOM 168 CA VAL A 14 -1.710 1.813 7.878 1.00 0.00 C ATOM 169 C VAL A 14 -1.699 0.946 9.132 1.00 0.00 C ATOM 170 O VAL A 14 -0.645 0.487 9.573 1.00 0.00 O ATOM 171 CB VAL A 14 -1.906 0.911 6.645 1.00 0.00 C ATOM 172 CG1 VAL A 14 -3.275 0.249 6.681 1.00 0.00 C ATOM 173 CG2 VAL A 14 -1.726 1.713 5.365 1.00 0.00 C ATOM 0 H VAL A 14 0.275 2.131 7.280 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.537 2.521 7.936 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.149 0.127 6.665 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.396 -0.384 5.802 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.362 -0.359 7.581 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.050 1.016 6.685 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.868 1.060 4.504 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.459 2.519 5.334 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.722 2.135 5.339 1.00 0.00 H new ATOM 183 N TYR A 15 -2.878 0.724 9.702 1.00 0.00 N ATOM 184 CA TYR A 15 -3.005 -0.087 10.907 1.00 0.00 C ATOM 185 C TYR A 15 -4.246 -0.972 10.840 1.00 0.00 C ATOM 186 O TYR A 15 -5.077 -0.827 9.945 1.00 0.00 O ATOM 187 CB TYR A 15 -3.069 0.808 12.145 1.00 0.00 C ATOM 188 CG TYR A 15 -1.955 1.829 12.213 1.00 0.00 C ATOM 189 CD1 TYR A 15 -2.069 3.054 11.567 1.00 0.00 C ATOM 190 CD2 TYR A 15 -0.790 1.569 12.923 1.00 0.00 C ATOM 191 CE1 TYR A 15 -1.055 3.990 11.625 1.00 0.00 C ATOM 192 CE2 TYR A 15 0.230 2.499 12.988 1.00 0.00 C ATOM 193 CZ TYR A 15 0.093 3.708 12.337 1.00 0.00 C ATOM 194 OH TYR A 15 1.106 4.637 12.398 1.00 0.00 O ATOM 0 H TYR A 15 -3.760 1.095 9.349 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.127 -0.729 10.976 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.027 1.327 12.159 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -3.032 0.183 13.037 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.966 3.278 11.010 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.679 0.624 13.433 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.160 4.937 11.116 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.129 2.281 13.545 1.00 0.00 H new ATOM 0 HH TYR A 15 0.722 5.536 12.468 1.00 0.00 H new ATOM 204 N ASN A 16 -4.363 -1.888 11.796 1.00 0.00 N ATOM 205 CA ASN A 16 -5.502 -2.797 11.847 1.00 0.00 C ATOM 206 C ASN A 16 -5.559 -3.670 10.596 1.00 0.00 C ATOM 207 O ASN A 16 -6.586 -3.737 9.919 1.00 0.00 O ATOM 208 CB ASN A 16 -6.805 -2.008 11.992 1.00 0.00 C ATOM 209 CG ASN A 16 -7.928 -2.848 12.568 1.00 0.00 C ATOM 210 OD1 ASN A 16 -7.855 -4.076 12.584 1.00 0.00 O ATOM 211 ND2 ASN A 16 -8.976 -2.186 13.046 1.00 0.00 N ATOM 0 H ASN A 16 -3.684 -2.020 12.545 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.379 -3.445 12.715 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.634 -1.145 12.635 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.105 -1.625 11.017 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.763 -2.697 13.447 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.994 -1.167 13.012 1.00 0.00 H new ATOM 218 N LEU A 17 -4.450 -4.336 10.296 1.00 0.00 N ATOM 219 CA LEU A 17 -4.373 -5.205 9.127 1.00 0.00 C ATOM 220 C LEU A 17 -4.647 -6.657 9.508 1.00 0.00 C ATOM 221 O LEU A 17 -4.392 -7.087 10.633 1.00 0.00 O ATOM 222 CB LEU A 17 -2.995 -5.090 8.471 1.00 0.00 C ATOM 223 CG LEU A 17 -2.750 -3.828 7.644 1.00 0.00 C ATOM 224 CD1 LEU A 17 -1.265 -3.503 7.593 1.00 0.00 C ATOM 225 CD2 LEU A 17 -3.309 -3.994 6.238 1.00 0.00 C ATOM 0 H LEU A 17 -3.592 -4.291 10.846 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.135 -4.885 8.417 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.237 -5.141 9.253 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.848 -5.957 7.827 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.267 -2.997 8.124 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.110 -2.602 7.000 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.893 -3.340 8.605 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.726 -4.334 7.138 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.125 -3.086 5.664 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.821 -4.837 5.749 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.382 -4.178 6.292 1.00 0.00 H new ATOM 237 N PRO A 18 -5.177 -7.431 8.550 1.00 0.00 N ATOM 238 CA PRO A 18 -5.495 -8.846 8.761 1.00 0.00 C ATOM 239 C PRO A 18 -4.244 -9.706 8.900 1.00 0.00 C ATOM 240 O PRO A 18 -3.817 -10.356 7.946 1.00 0.00 O ATOM 241 CB PRO A 18 -6.269 -9.228 7.497 1.00 0.00 C ATOM 242 CG PRO A 18 -5.799 -8.268 6.460 1.00 0.00 C ATOM 243 CD PRO A 18 -5.507 -6.984 7.186 1.00 0.00 C ATOM 0 HA PRO A 18 -6.053 -9.005 9.683 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.065 -10.258 7.204 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.345 -9.148 7.652 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.908 -8.643 5.956 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.559 -8.119 5.693 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.678 -6.443 6.729 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.367 -6.314 7.180 1.00 0.00 H new ATOM 251 N ALA A 19 -3.660 -9.706 10.094 1.00 0.00 N ATOM 252 CA ALA A 19 -2.460 -10.489 10.358 1.00 0.00 C ATOM 253 C ALA A 19 -2.587 -11.898 9.790 1.00 0.00 C ATOM 254 O ALA A 19 -1.676 -12.397 9.131 1.00 0.00 O ATOM 255 CB ALA A 19 -2.183 -10.543 11.853 1.00 0.00 C ATOM 0 H ALA A 19 -3.999 -9.172 10.894 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.621 -10.000 9.862 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.284 -11.131 12.035 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.038 -9.532 12.233 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.028 -11.005 12.363 1.00 0.00 H new ATOM 261 N ASN A 20 -3.724 -12.536 10.050 1.00 0.00 N ATOM 262 CA ASN A 20 -3.970 -13.889 9.566 1.00 0.00 C ATOM 263 C ASN A 20 -3.695 -13.989 8.068 1.00 0.00 C ATOM 264 O ASN A 20 -2.986 -14.887 7.614 1.00 0.00 O ATOM 265 CB ASN A 20 -5.413 -14.304 9.859 1.00 0.00 C ATOM 266 CG ASN A 20 -5.621 -14.681 11.313 1.00 0.00 C ATOM 267 OD1 ASN A 20 -5.091 -14.034 12.216 1.00 0.00 O ATOM 268 ND2 ASN A 20 -6.397 -15.733 11.546 1.00 0.00 N ATOM 0 H ASN A 20 -4.489 -12.137 10.593 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.292 -14.564 10.089 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.084 -13.485 9.599 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -5.681 -15.149 9.225 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.574 -16.034 12.504 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -6.816 -16.240 10.767 1.00 0.00 H new ATOM 275 N LYS A 21 -4.260 -13.060 7.305 1.00 0.00 N ATOM 276 CA LYS A 21 -4.076 -13.040 5.859 1.00 0.00 C ATOM 277 C LYS A 21 -2.596 -12.943 5.501 1.00 0.00 C ATOM 278 O LYS A 21 -1.863 -12.132 6.066 1.00 0.00 O ATOM 279 CB LYS A 21 -4.839 -11.865 5.243 1.00 0.00 C ATOM 280 CG LYS A 21 -6.333 -11.901 5.514 1.00 0.00 C ATOM 281 CD LYS A 21 -7.058 -12.797 4.523 1.00 0.00 C ATOM 282 CE LYS A 21 -8.538 -12.455 4.441 1.00 0.00 C ATOM 283 NZ LYS A 21 -9.364 -13.647 4.103 1.00 0.00 N ATOM 0 H LYS A 21 -4.850 -12.310 7.665 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.470 -13.972 5.454 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.430 -10.933 5.633 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.674 -11.860 4.166 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.511 -12.259 6.528 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.739 -10.891 5.457 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.604 -12.693 3.537 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.940 -13.839 4.820 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.869 -12.042 5.394 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.691 -11.682 3.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.366 -13.373 4.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.066 -14.026 3.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.238 -14.375 4.834 1.00 0.00 H new ATOM 297 N ASP A 22 -2.166 -13.773 4.557 1.00 0.00 N ATOM 298 CA ASP A 22 -0.774 -13.778 4.121 1.00 0.00 C ATOM 299 C ASP A 22 -0.401 -12.447 3.478 1.00 0.00 C ATOM 300 O ASP A 22 -1.094 -11.961 2.585 1.00 0.00 O ATOM 301 CB ASP A 22 -0.531 -14.922 3.134 1.00 0.00 C ATOM 302 CG ASP A 22 0.944 -15.203 2.926 1.00 0.00 C ATOM 303 OD1 ASP A 22 1.676 -15.309 3.932 1.00 0.00 O ATOM 304 OD2 ASP A 22 1.366 -15.317 1.756 1.00 0.00 O ATOM 0 H ASP A 22 -2.760 -14.450 4.079 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.144 -13.925 4.999 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.022 -15.824 3.500 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.990 -14.675 2.176 1.00 0.00 H new ATOM 309 N GLY A 23 0.700 -11.860 3.939 1.00 0.00 N ATOM 310 CA GLY A 23 1.145 -10.589 3.398 1.00 0.00 C ATOM 311 C GLY A 23 0.875 -10.465 1.912 1.00 0.00 C ATOM 312 O GLY A 23 0.235 -9.512 1.467 1.00 0.00 O ATOM 0 H GLY A 23 1.291 -12.242 4.677 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.642 -9.778 3.924 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.213 -10.474 3.581 1.00 0.00 H new ATOM 316 N LYS A 24 1.365 -11.429 1.141 1.00 0.00 N ATOM 317 CA LYS A 24 1.174 -11.425 -0.305 1.00 0.00 C ATOM 318 C LYS A 24 -0.237 -10.974 -0.666 1.00 0.00 C ATOM 319 O LYS A 24 -0.426 -10.153 -1.564 1.00 0.00 O ATOM 320 CB LYS A 24 1.438 -12.819 -0.879 1.00 0.00 C ATOM 321 CG LYS A 24 2.855 -13.315 -0.646 1.00 0.00 C ATOM 322 CD LYS A 24 3.785 -12.894 -1.770 1.00 0.00 C ATOM 323 CE LYS A 24 5.211 -13.361 -1.519 1.00 0.00 C ATOM 324 NZ LYS A 24 5.308 -14.846 -1.473 1.00 0.00 N ATOM 0 H LYS A 24 1.898 -12.224 1.493 1.00 0.00 H new ATOM 0 HA LYS A 24 1.884 -10.720 -0.738 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.737 -13.525 -0.433 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.238 -12.805 -1.950 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.227 -12.924 0.301 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.852 -14.402 -0.563 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.427 -13.306 -2.713 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.769 -11.809 -1.870 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.862 -12.979 -2.305 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.569 -12.944 -0.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.308 -15.130 -1.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.877 -15.195 -0.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.807 -15.252 -2.289 1.00 0.00 H new ATOM 338 N SER A 25 -1.225 -11.514 0.041 1.00 0.00 N ATOM 339 CA SER A 25 -2.620 -11.168 -0.207 1.00 0.00 C ATOM 340 C SER A 25 -2.919 -9.747 0.261 1.00 0.00 C ATOM 341 O SER A 25 -3.505 -8.950 -0.472 1.00 0.00 O ATOM 342 CB SER A 25 -3.547 -12.156 0.503 1.00 0.00 C ATOM 343 OG SER A 25 -3.266 -13.489 0.113 1.00 0.00 O ATOM 0 H SER A 25 -1.085 -12.192 0.790 1.00 0.00 H new ATOM 0 HA SER A 25 -2.796 -11.223 -1.281 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.431 -12.057 1.582 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.585 -11.917 0.271 1.00 0.00 H new ATOM 0 HG SER A 25 -3.871 -14.101 0.582 1.00 0.00 H new ATOM 349 N VAL A 26 -2.512 -9.437 1.487 1.00 0.00 N ATOM 350 CA VAL A 26 -2.734 -8.112 2.055 1.00 0.00 C ATOM 351 C VAL A 26 -2.117 -7.028 1.178 1.00 0.00 C ATOM 352 O VAL A 26 -2.820 -6.169 0.648 1.00 0.00 O ATOM 353 CB VAL A 26 -2.148 -8.004 3.475 1.00 0.00 C ATOM 354 CG1 VAL A 26 -2.476 -6.651 4.087 1.00 0.00 C ATOM 355 CG2 VAL A 26 -2.666 -9.134 4.352 1.00 0.00 C ATOM 0 H VAL A 26 -2.026 -10.085 2.107 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.813 -7.965 2.104 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.064 -8.093 3.409 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.054 -6.593 5.090 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.052 -5.860 3.469 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.558 -6.529 4.141 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.242 -9.042 5.352 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.753 -9.079 4.412 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.375 -10.092 3.921 1.00 0.00 H new ATOM 365 N SER A 27 -0.796 -7.076 1.030 1.00 0.00 N ATOM 366 CA SER A 27 -0.083 -6.095 0.220 1.00 0.00 C ATOM 367 C SER A 27 -0.873 -5.751 -1.038 1.00 0.00 C ATOM 368 O SER A 27 -1.391 -4.644 -1.176 1.00 0.00 O ATOM 369 CB SER A 27 1.300 -6.628 -0.162 1.00 0.00 C ATOM 370 OG SER A 27 1.196 -7.829 -0.907 1.00 0.00 O ATOM 0 H SER A 27 -0.199 -7.783 1.460 1.00 0.00 H new ATOM 0 HA SER A 27 0.035 -5.188 0.812 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.833 -5.879 -0.747 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.887 -6.805 0.739 1.00 0.00 H new ATOM 0 HG SER A 27 0.888 -8.552 -0.321 1.00 0.00 H new ATOM 376 N ASN A 28 -0.962 -6.710 -1.955 1.00 0.00 N ATOM 377 CA ASN A 28 -1.689 -6.509 -3.203 1.00 0.00 C ATOM 378 C ASN A 28 -2.901 -5.609 -2.988 1.00 0.00 C ATOM 379 O ASN A 28 -3.007 -4.540 -3.590 1.00 0.00 O ATOM 380 CB ASN A 28 -2.135 -7.855 -3.780 1.00 0.00 C ATOM 381 CG ASN A 28 -2.338 -7.801 -5.282 1.00 0.00 C ATOM 382 OD1 ASN A 28 -1.634 -8.470 -6.038 1.00 0.00 O ATOM 383 ND2 ASN A 28 -3.304 -7.002 -5.720 1.00 0.00 N ATOM 0 H ASN A 28 -0.540 -7.633 -1.857 1.00 0.00 H new ATOM 0 HA ASN A 28 -1.018 -6.022 -3.911 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.389 -8.614 -3.544 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.065 -8.162 -3.301 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -3.487 -6.924 -6.720 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.863 -6.466 -5.056 1.00 0.00 H new ATOM 390 N ARG A 29 -3.812 -6.048 -2.126 1.00 0.00 N ATOM 391 CA ARG A 29 -5.017 -5.282 -1.832 1.00 0.00 C ATOM 392 C ARG A 29 -4.691 -3.802 -1.652 1.00 0.00 C ATOM 393 O ARG A 29 -5.366 -2.934 -2.207 1.00 0.00 O ATOM 394 CB ARG A 29 -5.695 -5.822 -0.571 1.00 0.00 C ATOM 395 CG ARG A 29 -6.867 -4.977 -0.100 1.00 0.00 C ATOM 396 CD ARG A 29 -7.994 -4.969 -1.121 1.00 0.00 C ATOM 397 NE ARG A 29 -8.486 -6.315 -1.405 1.00 0.00 N ATOM 398 CZ ARG A 29 -9.446 -6.576 -2.285 1.00 0.00 C ATOM 399 NH1 ARG A 29 -10.014 -5.589 -2.964 1.00 0.00 N ATOM 400 NH2 ARG A 29 -9.839 -7.827 -2.487 1.00 0.00 N ATOM 0 H ARG A 29 -3.739 -6.930 -1.619 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.698 -5.386 -2.677 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.044 -6.837 -0.762 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.958 -5.884 0.229 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.237 -5.364 0.849 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.531 -3.956 0.081 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.814 -4.354 -0.751 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.643 -4.509 -2.045 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.069 -7.097 -0.900 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.714 -4.626 -2.811 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.751 -5.793 -3.639 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.404 -8.589 -1.966 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.576 -8.027 -3.163 1.00 0.00 H new ATOM 414 N LEU A 30 -3.652 -3.522 -0.873 1.00 0.00 N ATOM 415 CA LEU A 30 -3.235 -2.147 -0.619 1.00 0.00 C ATOM 416 C LEU A 30 -2.624 -1.523 -1.869 1.00 0.00 C ATOM 417 O LEU A 30 -2.997 -0.421 -2.271 1.00 0.00 O ATOM 418 CB LEU A 30 -2.228 -2.102 0.532 1.00 0.00 C ATOM 419 CG LEU A 30 -2.798 -2.335 1.932 1.00 0.00 C ATOM 420 CD1 LEU A 30 -2.898 -3.824 2.226 1.00 0.00 C ATOM 421 CD2 LEU A 30 -1.941 -1.639 2.979 1.00 0.00 C ATOM 0 H LEU A 30 -3.083 -4.228 -0.406 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.118 -1.571 -0.343 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.459 -2.852 0.345 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.735 -1.130 0.519 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.801 -1.910 1.971 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.305 -3.971 3.226 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.554 -4.296 1.494 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.907 -4.274 2.169 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.361 -1.815 3.969 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.926 -2.035 2.940 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.921 -0.568 2.779 1.00 0.00 H new ATOM 433 N ARG A 31 -1.684 -2.237 -2.481 1.00 0.00 N ATOM 434 CA ARG A 31 -1.022 -1.754 -3.687 1.00 0.00 C ATOM 435 C ARG A 31 -1.991 -0.961 -4.559 1.00 0.00 C ATOM 436 O ARG A 31 -1.693 0.159 -4.974 1.00 0.00 O ATOM 437 CB ARG A 31 -0.445 -2.927 -4.482 1.00 0.00 C ATOM 438 CG ARG A 31 0.844 -3.482 -3.900 1.00 0.00 C ATOM 439 CD ARG A 31 1.422 -4.582 -4.777 1.00 0.00 C ATOM 440 NE ARG A 31 2.321 -4.052 -5.798 1.00 0.00 N ATOM 441 CZ ARG A 31 3.544 -3.602 -5.540 1.00 0.00 C ATOM 442 NH1 ARG A 31 4.011 -3.619 -4.299 1.00 0.00 N ATOM 443 NH2 ARG A 31 4.302 -3.135 -6.523 1.00 0.00 N ATOM 0 H ARG A 31 -1.364 -3.151 -2.161 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.209 -1.094 -3.386 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.187 -3.725 -4.526 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.262 -2.605 -5.507 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.573 -2.678 -3.795 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.654 -3.874 -2.901 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.961 -5.296 -4.155 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.610 -5.127 -5.257 1.00 0.00 H new ATOM 0 HE ARG A 31 1.992 -4.026 -6.763 1.00 0.00 H new ATOM 0 HH11 ARG A 31 3.431 -3.978 -3.541 1.00 0.00 H new ATOM 0 HH12 ARG A 31 4.950 -3.273 -4.103 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.946 -3.121 -7.479 1.00 0.00 H new ATOM 0 HH22 ARG A 31 5.241 -2.790 -6.323 1.00 0.00 H new ATOM 457 N ARG A 32 -3.150 -1.550 -4.833 1.00 0.00 N ATOM 458 CA ARG A 32 -4.161 -0.900 -5.658 1.00 0.00 C ATOM 459 C ARG A 32 -4.573 0.440 -5.056 1.00 0.00 C ATOM 460 O ARG A 32 -4.668 1.447 -5.760 1.00 0.00 O ATOM 461 CB ARG A 32 -5.387 -1.803 -5.806 1.00 0.00 C ATOM 462 CG ARG A 32 -5.317 -2.733 -7.007 1.00 0.00 C ATOM 463 CD ARG A 32 -5.928 -2.092 -8.243 1.00 0.00 C ATOM 464 NE ARG A 32 -6.340 -3.088 -9.228 1.00 0.00 N ATOM 465 CZ ARG A 32 -5.506 -3.656 -10.092 1.00 0.00 C ATOM 466 NH1 ARG A 32 -4.221 -3.328 -10.092 1.00 0.00 N ATOM 467 NH2 ARG A 32 -5.957 -4.554 -10.959 1.00 0.00 N ATOM 0 H ARG A 32 -3.412 -2.476 -4.496 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.730 -0.720 -6.643 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.499 -2.400 -4.901 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.278 -1.181 -5.890 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.278 -2.994 -7.207 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.841 -3.662 -6.781 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.790 -1.492 -7.952 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.205 -1.413 -8.695 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.322 -3.363 -9.254 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -3.871 -2.638 -9.427 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -3.583 -3.766 -10.757 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.945 -4.809 -10.962 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -5.316 -4.990 -11.622 1.00 0.00 H new ATOM 481 N LEU A 33 -4.819 0.446 -3.750 1.00 0.00 N ATOM 482 CA LEU A 33 -5.222 1.662 -3.053 1.00 0.00 C ATOM 483 C LEU A 33 -4.153 2.743 -3.181 1.00 0.00 C ATOM 484 O LEU A 33 -4.458 3.936 -3.170 1.00 0.00 O ATOM 485 CB LEU A 33 -5.486 1.363 -1.576 1.00 0.00 C ATOM 486 CG LEU A 33 -6.817 0.683 -1.256 1.00 0.00 C ATOM 487 CD1 LEU A 33 -6.703 -0.143 0.016 1.00 0.00 C ATOM 488 CD2 LEU A 33 -7.926 1.716 -1.126 1.00 0.00 C ATOM 0 H LEU A 33 -4.746 -0.378 -3.153 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.140 2.028 -3.513 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.680 0.731 -1.204 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.438 2.300 -1.022 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.067 0.013 -2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.660 -0.619 0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.938 -0.908 -0.114 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.429 0.506 0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.866 1.214 -0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.683 2.412 -0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.025 2.263 -2.063 1.00 0.00 H new ATOM 500 N SER A 34 -2.900 2.317 -3.305 1.00 0.00 N ATOM 501 CA SER A 34 -1.785 3.249 -3.435 1.00 0.00 C ATOM 502 C SER A 34 -1.573 3.642 -4.893 1.00 0.00 C ATOM 503 O SER A 34 -1.139 4.755 -5.191 1.00 0.00 O ATOM 504 CB SER A 34 -0.506 2.628 -2.870 1.00 0.00 C ATOM 505 OG SER A 34 0.399 3.629 -2.437 1.00 0.00 O ATOM 0 H SER A 34 -2.631 1.333 -3.318 1.00 0.00 H new ATOM 0 HA SER A 34 -2.026 4.147 -2.867 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.754 1.972 -2.035 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.031 2.009 -3.631 1.00 0.00 H new ATOM 0 HG SER A 34 -0.049 4.220 -1.796 1.00 0.00 H new ATOM 511 N ASP A 35 -1.881 2.721 -5.799 1.00 0.00 N ATOM 512 CA ASP A 35 -1.726 2.970 -7.227 1.00 0.00 C ATOM 513 C ASP A 35 -2.639 4.103 -7.684 1.00 0.00 C ATOM 514 O ASP A 35 -2.203 5.026 -8.370 1.00 0.00 O ATOM 515 CB ASP A 35 -2.030 1.701 -8.024 1.00 0.00 C ATOM 516 CG ASP A 35 -2.242 1.980 -9.499 1.00 0.00 C ATOM 517 OD1 ASP A 35 -3.388 2.291 -9.885 1.00 0.00 O ATOM 518 OD2 ASP A 35 -1.262 1.886 -10.268 1.00 0.00 O ATOM 0 H ASP A 35 -2.240 1.794 -5.569 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.692 3.265 -7.408 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.208 0.995 -7.905 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.921 1.224 -7.616 1.00 0.00 H new ATOM 523 N ASN A 36 -3.909 4.025 -7.298 1.00 0.00 N ATOM 524 CA ASN A 36 -4.884 5.044 -7.669 1.00 0.00 C ATOM 525 C ASN A 36 -4.634 6.341 -6.905 1.00 0.00 C ATOM 526 O ASN A 36 -4.901 7.432 -7.410 1.00 0.00 O ATOM 527 CB ASN A 36 -6.304 4.543 -7.397 1.00 0.00 C ATOM 528 CG ASN A 36 -7.325 5.167 -8.328 1.00 0.00 C ATOM 529 OD1 ASN A 36 -6.970 5.843 -9.294 1.00 0.00 O ATOM 530 ND2 ASN A 36 -8.602 4.941 -8.042 1.00 0.00 N ATOM 0 H ASN A 36 -4.286 3.267 -6.729 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.775 5.245 -8.735 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.331 3.459 -7.507 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.574 4.766 -6.365 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -9.334 5.334 -8.633 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.850 4.375 -7.231 1.00 0.00 H new ATOM 537 N CYS A 37 -4.121 6.213 -5.687 1.00 0.00 N ATOM 538 CA CYS A 37 -3.835 7.374 -4.852 1.00 0.00 C ATOM 539 C CYS A 37 -2.376 7.796 -4.989 1.00 0.00 C ATOM 540 O CYS A 37 -1.789 8.351 -4.061 1.00 0.00 O ATOM 541 CB CYS A 37 -4.154 7.067 -3.388 1.00 0.00 C ATOM 542 SG CYS A 37 -5.861 6.546 -3.098 1.00 0.00 S ATOM 0 H CYS A 37 -3.894 5.317 -5.255 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.466 8.197 -5.189 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.482 6.284 -3.037 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.949 7.954 -2.789 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.919 5.248 -3.064 1.00 0.00 H new ATOM 548 N GLY A 38 -1.794 7.528 -6.154 1.00 0.00 N ATOM 549 CA GLY A 38 -0.408 7.885 -6.391 1.00 0.00 C ATOM 550 C GLY A 38 0.483 7.571 -5.205 1.00 0.00 C ATOM 551 O GLY A 38 0.911 8.473 -4.487 1.00 0.00 O ATOM 0 H GLY A 38 -2.258 7.070 -6.938 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.043 7.350 -7.267 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.344 8.949 -6.618 1.00 0.00 H new ATOM 555 N GLY A 39 0.761 6.287 -4.999 1.00 0.00 N ATOM 556 CA GLY A 39 1.603 5.880 -3.889 1.00 0.00 C ATOM 557 C GLY A 39 2.229 4.517 -4.107 1.00 0.00 C ATOM 558 O GLY A 39 1.982 3.866 -5.123 1.00 0.00 O ATOM 0 H GLY A 39 0.418 5.522 -5.580 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.391 6.619 -3.744 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.010 5.862 -2.974 1.00 0.00 H new ATOM 562 N LYS A 40 3.043 4.082 -3.151 1.00 0.00 N ATOM 563 CA LYS A 40 3.708 2.788 -3.242 1.00 0.00 C ATOM 564 C LYS A 40 3.954 2.204 -1.854 1.00 0.00 C ATOM 565 O LYS A 40 4.565 2.845 -0.999 1.00 0.00 O ATOM 566 CB LYS A 40 5.034 2.924 -3.992 1.00 0.00 C ATOM 567 CG LYS A 40 5.814 1.624 -4.090 1.00 0.00 C ATOM 568 CD LYS A 40 7.310 1.875 -4.166 1.00 0.00 C ATOM 569 CE LYS A 40 7.742 2.248 -5.576 1.00 0.00 C ATOM 570 NZ LYS A 40 9.212 2.466 -5.667 1.00 0.00 N ATOM 0 H LYS A 40 3.258 4.607 -2.304 1.00 0.00 H new ATOM 0 HA LYS A 40 3.055 2.110 -3.792 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.837 3.296 -4.997 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.650 3.671 -3.491 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.593 1.000 -3.224 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.492 1.071 -4.972 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.581 2.675 -3.478 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.847 0.982 -3.844 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.449 1.457 -6.267 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.221 3.153 -5.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.466 2.718 -6.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.489 3.238 -5.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.710 1.595 -5.394 1.00 0.00 H new ATOM 584 N VAL A 41 3.475 0.983 -1.637 1.00 0.00 N ATOM 585 CA VAL A 41 3.645 0.312 -0.354 1.00 0.00 C ATOM 586 C VAL A 41 5.105 -0.060 -0.118 1.00 0.00 C ATOM 587 O VAL A 41 5.567 -1.114 -0.558 1.00 0.00 O ATOM 588 CB VAL A 41 2.782 -0.960 -0.267 1.00 0.00 C ATOM 589 CG1 VAL A 41 3.054 -1.873 -1.453 1.00 0.00 C ATOM 590 CG2 VAL A 41 3.036 -1.687 1.045 1.00 0.00 C ATOM 0 H VAL A 41 2.966 0.439 -2.333 1.00 0.00 H new ATOM 0 HA VAL A 41 3.323 1.014 0.415 1.00 0.00 H new ATOM 0 HB VAL A 41 1.732 -0.668 -0.297 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.435 -2.767 -1.374 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.817 -1.348 -2.378 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.106 -2.160 -1.458 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.418 -2.584 1.090 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.087 -1.968 1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.785 -1.031 1.879 1.00 0.00 H new ATOM 600 N LEU A 42 5.826 0.810 0.579 1.00 0.00 N ATOM 601 CA LEU A 42 7.235 0.573 0.875 1.00 0.00 C ATOM 602 C LEU A 42 7.432 -0.792 1.527 1.00 0.00 C ATOM 603 O LEU A 42 8.184 -1.627 1.026 1.00 0.00 O ATOM 604 CB LEU A 42 7.776 1.672 1.792 1.00 0.00 C ATOM 605 CG LEU A 42 7.841 3.076 1.191 1.00 0.00 C ATOM 606 CD1 LEU A 42 8.679 3.994 2.067 1.00 0.00 C ATOM 607 CD2 LEU A 42 8.403 3.025 -0.223 1.00 0.00 C ATOM 0 H LEU A 42 5.459 1.686 0.950 1.00 0.00 H new ATOM 0 HA LEU A 42 7.786 0.589 -0.065 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.154 1.710 2.686 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.779 1.389 2.113 1.00 0.00 H new ATOM 0 HG LEU A 42 6.829 3.478 1.144 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.714 4.989 1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.234 4.055 3.060 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.691 3.597 2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.442 4.033 -0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.408 2.603 -0.200 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.762 2.402 -0.847 1.00 0.00 H new ATOM 619 N SER A 43 6.750 -1.012 2.646 1.00 0.00 N ATOM 620 CA SER A 43 6.851 -2.275 3.368 1.00 0.00 C ATOM 621 C SER A 43 5.615 -2.508 4.231 1.00 0.00 C ATOM 622 O SER A 43 4.814 -1.598 4.445 1.00 0.00 O ATOM 623 CB SER A 43 8.107 -2.288 4.242 1.00 0.00 C ATOM 624 OG SER A 43 9.277 -2.419 3.452 1.00 0.00 O ATOM 0 H SER A 43 6.121 -0.332 3.073 1.00 0.00 H new ATOM 0 HA SER A 43 6.918 -3.079 2.636 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.158 -1.368 4.824 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.050 -3.112 4.953 1.00 0.00 H new ATOM 0 HG SER A 43 9.049 -2.298 2.507 1.00 0.00 H new ATOM 630 N ILE A 44 5.468 -3.733 4.723 1.00 0.00 N ATOM 631 CA ILE A 44 4.331 -4.087 5.564 1.00 0.00 C ATOM 632 C ILE A 44 4.777 -4.878 6.789 1.00 0.00 C ATOM 633 O ILE A 44 5.089 -6.066 6.695 1.00 0.00 O ATOM 634 CB ILE A 44 3.290 -4.912 4.784 1.00 0.00 C ATOM 635 CG1 ILE A 44 2.759 -4.112 3.594 1.00 0.00 C ATOM 636 CG2 ILE A 44 2.149 -5.327 5.701 1.00 0.00 C ATOM 637 CD1 ILE A 44 2.349 -4.974 2.420 1.00 0.00 C ATOM 0 H ILE A 44 6.122 -4.497 4.554 1.00 0.00 H new ATOM 0 HA ILE A 44 3.874 -3.152 5.887 1.00 0.00 H new ATOM 0 HB ILE A 44 3.773 -5.813 4.405 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.902 -3.521 3.917 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.526 -3.409 3.268 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.421 -5.909 5.136 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.541 -5.932 6.519 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.666 -4.438 6.106 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.983 -4.339 1.613 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.209 -5.545 2.070 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.560 -5.659 2.730 1.00 0.00 H new ATOM 649 N THR A 45 4.804 -4.212 7.939 1.00 0.00 N ATOM 650 CA THR A 45 5.211 -4.853 9.183 1.00 0.00 C ATOM 651 C THR A 45 4.008 -5.128 10.079 1.00 0.00 C ATOM 652 O THR A 45 3.121 -4.288 10.218 1.00 0.00 O ATOM 653 CB THR A 45 6.224 -3.987 9.955 1.00 0.00 C ATOM 654 OG1 THR A 45 5.560 -2.866 10.548 1.00 0.00 O ATOM 655 CG2 THR A 45 7.331 -3.497 9.033 1.00 0.00 C ATOM 0 H THR A 45 4.549 -3.229 8.035 1.00 0.00 H new ATOM 0 HA THR A 45 5.683 -5.798 8.913 1.00 0.00 H new ATOM 0 HB THR A 45 6.669 -4.601 10.738 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.211 -2.322 11.038 1.00 0.00 H new ATOM 0 HG21 THR A 45 8.034 -2.888 9.601 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.854 -4.353 8.606 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.898 -2.899 8.231 1.00 0.00 H new ATOM 663 N GLY A 46 3.986 -6.311 10.686 1.00 0.00 N ATOM 664 CA GLY A 46 2.888 -6.675 11.562 1.00 0.00 C ATOM 665 C GLY A 46 1.540 -6.263 11.003 1.00 0.00 C ATOM 666 O GLY A 46 1.301 -6.368 9.800 1.00 0.00 O ATOM 0 H GLY A 46 4.709 -7.024 10.587 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.897 -7.753 11.723 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.033 -6.206 12.535 1.00 0.00 H new ATOM 670 N CYS A 47 0.658 -5.795 11.878 1.00 0.00 N ATOM 671 CA CYS A 47 -0.675 -5.368 11.466 1.00 0.00 C ATOM 672 C CYS A 47 -0.651 -3.932 10.953 1.00 0.00 C ATOM 673 O CYS A 47 -1.691 -3.280 10.852 1.00 0.00 O ATOM 674 CB CYS A 47 -1.656 -5.489 12.634 1.00 0.00 C ATOM 675 SG CYS A 47 -1.729 -7.139 13.368 1.00 0.00 S ATOM 0 H CYS A 47 0.841 -5.701 12.877 1.00 0.00 H new ATOM 0 HA CYS A 47 -1.004 -6.019 10.656 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -1.376 -4.772 13.406 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -2.652 -5.212 12.288 1.00 0.00 H new ATOM 0 HG CYS A 47 -2.583 -7.141 14.348 1.00 0.00 H new ATOM 681 N SER A 48 0.542 -3.444 10.631 1.00 0.00 N ATOM 682 CA SER A 48 0.703 -2.082 10.133 1.00 0.00 C ATOM 683 C SER A 48 1.442 -2.076 8.799 1.00 0.00 C ATOM 684 O SER A 48 2.067 -3.065 8.418 1.00 0.00 O ATOM 685 CB SER A 48 1.460 -1.229 11.153 1.00 0.00 C ATOM 686 OG SER A 48 2.624 -1.895 11.611 1.00 0.00 O ATOM 0 H SER A 48 1.412 -3.971 10.706 1.00 0.00 H new ATOM 0 HA SER A 48 -0.289 -1.657 9.981 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.736 -0.276 10.701 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.809 -1.004 11.998 1.00 0.00 H new ATOM 0 HG SER A 48 2.833 -2.639 11.009 1.00 0.00 H new ATOM 692 N ALA A 49 1.366 -0.952 8.093 1.00 0.00 N ATOM 693 CA ALA A 49 2.030 -0.814 6.802 1.00 0.00 C ATOM 694 C ALA A 49 2.501 0.618 6.577 1.00 0.00 C ATOM 695 O ALA A 49 1.954 1.559 7.153 1.00 0.00 O ATOM 696 CB ALA A 49 1.097 -1.247 5.681 1.00 0.00 C ATOM 0 H ALA A 49 0.851 -0.124 8.393 1.00 0.00 H new ATOM 0 HA ALA A 49 2.907 -1.461 6.801 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.605 -1.139 4.723 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.813 -2.289 5.826 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.203 -0.623 5.690 1.00 0.00 H new ATOM 702 N ILE A 50 3.520 0.776 5.739 1.00 0.00 N ATOM 703 CA ILE A 50 4.064 2.094 5.439 1.00 0.00 C ATOM 704 C ILE A 50 4.090 2.349 3.936 1.00 0.00 C ATOM 705 O ILE A 50 4.773 1.648 3.188 1.00 0.00 O ATOM 706 CB ILE A 50 5.489 2.256 6.000 1.00 0.00 C ATOM 707 CG1 ILE A 50 5.469 2.197 7.529 1.00 0.00 C ATOM 708 CG2 ILE A 50 6.101 3.565 5.524 1.00 0.00 C ATOM 709 CD1 ILE A 50 6.845 2.094 8.149 1.00 0.00 C ATOM 0 H ILE A 50 3.985 0.007 5.256 1.00 0.00 H new ATOM 0 HA ILE A 50 3.409 2.822 5.918 1.00 0.00 H new ATOM 0 HB ILE A 50 6.103 1.435 5.631 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.973 3.089 7.912 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.873 1.340 7.843 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.108 3.664 5.929 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.146 3.571 4.435 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.488 4.399 5.866 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.753 2.057 9.234 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.337 1.188 7.795 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.438 2.963 7.865 1.00 0.00 H new ATOM 721 N LEU A 51 3.345 3.358 3.500 1.00 0.00 N ATOM 722 CA LEU A 51 3.283 3.708 2.085 1.00 0.00 C ATOM 723 C LEU A 51 4.038 5.005 1.811 1.00 0.00 C ATOM 724 O LEU A 51 4.260 5.808 2.717 1.00 0.00 O ATOM 725 CB LEU A 51 1.827 3.848 1.637 1.00 0.00 C ATOM 726 CG LEU A 51 1.029 2.548 1.533 1.00 0.00 C ATOM 727 CD1 LEU A 51 0.338 2.238 2.852 1.00 0.00 C ATOM 728 CD2 LEU A 51 0.012 2.635 0.404 1.00 0.00 C ATOM 0 H LEU A 51 2.775 3.949 4.106 1.00 0.00 H new ATOM 0 HA LEU A 51 3.756 2.907 1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.315 4.510 2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.813 4.338 0.664 1.00 0.00 H new ATOM 0 HG LEU A 51 1.722 1.736 1.310 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.225 1.309 2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.085 2.132 3.638 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.343 3.051 3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.547 1.701 0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.676 3.458 0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.530 2.809 -0.539 1.00 0.00 H new ATOM 740 N ARG A 52 4.426 5.204 0.556 1.00 0.00 N ATOM 741 CA ARG A 52 5.155 6.404 0.163 1.00 0.00 C ATOM 742 C ARG A 52 4.412 7.155 -0.938 1.00 0.00 C ATOM 743 O ARG A 52 4.091 6.589 -1.983 1.00 0.00 O ATOM 744 CB ARG A 52 6.562 6.039 -0.314 1.00 0.00 C ATOM 745 CG ARG A 52 7.270 7.169 -1.045 1.00 0.00 C ATOM 746 CD ARG A 52 8.771 7.130 -0.809 1.00 0.00 C ATOM 747 NE ARG A 52 9.450 6.239 -1.745 1.00 0.00 N ATOM 748 CZ ARG A 52 9.734 6.570 -3.000 1.00 0.00 C ATOM 749 NH1 ARG A 52 9.400 7.766 -3.466 1.00 0.00 N ATOM 750 NH2 ARG A 52 10.354 5.704 -3.792 1.00 0.00 N ATOM 0 H ARG A 52 4.248 4.550 -0.206 1.00 0.00 H new ATOM 0 HA ARG A 52 5.232 7.054 1.035 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.162 5.742 0.546 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.500 5.174 -0.974 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.067 7.097 -2.113 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.872 8.127 -0.709 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.179 8.136 -0.906 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.969 6.802 0.212 1.00 0.00 H new ATOM 0 HE ARG A 52 9.721 5.312 -1.418 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.924 8.435 -2.860 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.619 8.017 -4.430 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.613 4.783 -3.437 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.572 5.959 -4.755 1.00 0.00 H new ATOM 764 N PHE A 53 4.142 8.434 -0.696 1.00 0.00 N ATOM 765 CA PHE A 53 3.435 9.262 -1.666 1.00 0.00 C ATOM 766 C PHE A 53 4.284 10.461 -2.078 1.00 0.00 C ATOM 767 O PHE A 53 5.169 10.892 -1.338 1.00 0.00 O ATOM 768 CB PHE A 53 2.103 9.742 -1.085 1.00 0.00 C ATOM 769 CG PHE A 53 1.156 8.624 -0.755 1.00 0.00 C ATOM 770 CD1 PHE A 53 1.362 7.831 0.362 1.00 0.00 C ATOM 771 CD2 PHE A 53 0.060 8.366 -1.562 1.00 0.00 C ATOM 772 CE1 PHE A 53 0.493 6.801 0.670 1.00 0.00 C ATOM 773 CE2 PHE A 53 -0.814 7.338 -1.260 1.00 0.00 C ATOM 774 CZ PHE A 53 -0.596 6.554 -0.143 1.00 0.00 C ATOM 0 H PHE A 53 4.402 8.919 0.163 1.00 0.00 H new ATOM 0 HA PHE A 53 3.240 8.655 -2.550 1.00 0.00 H new ATOM 0 HB2 PHE A 53 2.297 10.322 -0.182 1.00 0.00 H new ATOM 0 HB3 PHE A 53 1.625 10.414 -1.798 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.212 8.020 1.000 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.114 8.975 -2.437 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.665 6.191 1.544 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.666 7.148 -1.896 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.276 5.749 0.094 1.00 0.00 H new ATOM 784 N ILE A 54 4.009 10.994 -3.264 1.00 0.00 N ATOM 785 CA ILE A 54 4.746 12.143 -3.774 1.00 0.00 C ATOM 786 C ILE A 54 4.566 13.358 -2.871 1.00 0.00 C ATOM 787 O ILE A 54 5.539 13.980 -2.448 1.00 0.00 O ATOM 788 CB ILE A 54 4.301 12.509 -5.202 1.00 0.00 C ATOM 789 CG1 ILE A 54 5.039 13.759 -5.686 1.00 0.00 C ATOM 790 CG2 ILE A 54 2.795 12.725 -5.249 1.00 0.00 C ATOM 791 CD1 ILE A 54 5.281 13.778 -7.179 1.00 0.00 C ATOM 0 H ILE A 54 3.281 10.648 -3.889 1.00 0.00 H new ATOM 0 HA ILE A 54 5.798 11.859 -3.791 1.00 0.00 H new ATOM 0 HB ILE A 54 4.551 11.682 -5.867 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.463 14.642 -5.408 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.997 13.828 -5.170 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.496 12.983 -6.265 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.287 11.811 -4.942 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.522 13.536 -4.574 1.00 0.00 H new ATOM 0 HD11 ILE A 54 5.808 14.693 -7.451 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.884 12.915 -7.461 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.326 13.741 -7.703 1.00 0.00 H new ATOM 803 N ASN A 55 3.313 13.689 -2.577 1.00 0.00 N ATOM 804 CA ASN A 55 3.004 14.830 -1.722 1.00 0.00 C ATOM 805 C ASN A 55 1.825 14.518 -0.805 1.00 0.00 C ATOM 806 O ASN A 55 1.171 13.486 -0.948 1.00 0.00 O ATOM 807 CB ASN A 55 2.691 16.062 -2.573 1.00 0.00 C ATOM 808 CG ASN A 55 3.944 16.747 -3.082 1.00 0.00 C ATOM 809 OD1 ASN A 55 4.992 16.708 -2.437 1.00 0.00 O ATOM 810 ND2 ASN A 55 3.842 17.380 -4.245 1.00 0.00 N ATOM 0 H ASN A 55 2.495 13.184 -2.918 1.00 0.00 H new ATOM 0 HA ASN A 55 3.878 15.037 -1.104 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.072 15.767 -3.420 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.108 16.769 -1.983 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.652 17.859 -4.637 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.953 17.387 -4.746 1.00 0.00 H new ATOM 817 N GLN A 56 1.560 15.419 0.136 1.00 0.00 N ATOM 818 CA GLN A 56 0.461 15.240 1.077 1.00 0.00 C ATOM 819 C GLN A 56 -0.824 14.862 0.346 1.00 0.00 C ATOM 820 O GLN A 56 -1.470 13.868 0.680 1.00 0.00 O ATOM 821 CB GLN A 56 0.243 16.518 1.889 1.00 0.00 C ATOM 822 CG GLN A 56 -0.972 16.459 2.801 1.00 0.00 C ATOM 823 CD GLN A 56 -0.809 17.310 4.045 1.00 0.00 C ATOM 824 OE1 GLN A 56 0.076 18.163 4.116 1.00 0.00 O ATOM 825 NE2 GLN A 56 -1.664 17.082 5.035 1.00 0.00 N ATOM 0 H GLN A 56 2.091 16.280 0.267 1.00 0.00 H new ATOM 0 HA GLN A 56 0.725 14.428 1.755 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.130 16.712 2.492 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.133 17.359 1.205 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.852 16.792 2.250 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.152 15.425 3.094 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.382 16.365 4.934 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -1.602 17.624 5.897 1.00 0.00 H new ATOM 834 N ASP A 57 -1.188 15.661 -0.650 1.00 0.00 N ATOM 835 CA ASP A 57 -2.396 15.410 -1.429 1.00 0.00 C ATOM 836 C ASP A 57 -2.514 13.932 -1.788 1.00 0.00 C ATOM 837 O ASP A 57 -3.376 13.223 -1.268 1.00 0.00 O ATOM 838 CB ASP A 57 -2.393 16.259 -2.701 1.00 0.00 C ATOM 839 CG ASP A 57 -3.730 16.233 -3.416 1.00 0.00 C ATOM 840 OD1 ASP A 57 -4.764 16.451 -2.751 1.00 0.00 O ATOM 841 OD2 ASP A 57 -3.742 15.996 -4.642 1.00 0.00 O ATOM 0 H ASP A 57 -0.665 16.488 -0.938 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.256 15.686 -0.819 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.140 17.288 -2.447 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.617 15.897 -3.375 1.00 0.00 H new ATOM 846 N SER A 58 -1.642 13.474 -2.681 1.00 0.00 N ATOM 847 CA SER A 58 -1.651 12.082 -3.114 1.00 0.00 C ATOM 848 C SER A 58 -1.737 11.141 -1.916 1.00 0.00 C ATOM 849 O SER A 58 -2.300 10.051 -2.008 1.00 0.00 O ATOM 850 CB SER A 58 -0.396 11.771 -3.931 1.00 0.00 C ATOM 851 OG SER A 58 -0.515 12.262 -5.255 1.00 0.00 O ATOM 0 H SER A 58 -0.920 14.047 -3.119 1.00 0.00 H new ATOM 0 HA SER A 58 -2.530 11.928 -3.739 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.474 12.218 -3.451 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.230 10.694 -3.953 1.00 0.00 H new ATOM 0 HG SER A 58 0.224 11.917 -5.799 1.00 0.00 H new ATOM 857 N ALA A 59 -1.175 11.572 -0.792 1.00 0.00 N ATOM 858 CA ALA A 59 -1.189 10.770 0.426 1.00 0.00 C ATOM 859 C ALA A 59 -2.555 10.821 1.100 1.00 0.00 C ATOM 860 O ALA A 59 -2.963 9.872 1.768 1.00 0.00 O ATOM 861 CB ALA A 59 -0.107 11.246 1.383 1.00 0.00 C ATOM 0 H ALA A 59 -0.704 12.472 -0.699 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.987 9.734 0.153 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.129 10.639 2.288 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.868 11.151 0.906 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.284 12.290 1.642 1.00 0.00 H new ATOM 867 N GLU A 60 -3.257 11.936 0.922 1.00 0.00 N ATOM 868 CA GLU A 60 -4.578 12.110 1.516 1.00 0.00 C ATOM 869 C GLU A 60 -5.586 11.150 0.891 1.00 0.00 C ATOM 870 O GLU A 60 -6.108 10.259 1.560 1.00 0.00 O ATOM 871 CB GLU A 60 -5.054 13.553 1.340 1.00 0.00 C ATOM 872 CG GLU A 60 -4.179 14.574 2.049 1.00 0.00 C ATOM 873 CD GLU A 60 -4.932 15.840 2.407 1.00 0.00 C ATOM 874 OE1 GLU A 60 -5.765 15.791 3.336 1.00 0.00 O ATOM 875 OE2 GLU A 60 -4.690 16.879 1.758 1.00 0.00 O ATOM 0 H GLU A 60 -2.934 12.732 0.372 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.502 11.887 2.580 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.084 13.789 0.276 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.074 13.638 1.715 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.771 14.129 2.957 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.333 14.827 1.410 1.00 0.00 H new ATOM 882 N ARG A 61 -5.855 11.340 -0.397 1.00 0.00 N ATOM 883 CA ARG A 61 -6.802 10.493 -1.113 1.00 0.00 C ATOM 884 C ARG A 61 -6.645 9.033 -0.699 1.00 0.00 C ATOM 885 O ARG A 61 -7.582 8.243 -0.809 1.00 0.00 O ATOM 886 CB ARG A 61 -6.602 10.631 -2.623 1.00 0.00 C ATOM 887 CG ARG A 61 -6.702 12.064 -3.122 1.00 0.00 C ATOM 888 CD ARG A 61 -6.482 12.146 -4.625 1.00 0.00 C ATOM 889 NE ARG A 61 -7.715 11.917 -5.372 1.00 0.00 N ATOM 890 CZ ARG A 61 -8.732 12.771 -5.392 1.00 0.00 C ATOM 891 NH1 ARG A 61 -8.663 13.905 -4.709 1.00 0.00 N ATOM 892 NH2 ARG A 61 -9.821 12.491 -6.096 1.00 0.00 N ATOM 0 H ARG A 61 -5.431 12.073 -0.966 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.810 10.819 -0.856 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.624 10.230 -2.890 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.347 10.023 -3.137 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.683 12.469 -2.874 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.963 12.681 -2.611 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.081 13.127 -4.880 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.736 11.409 -4.923 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.800 11.054 -5.908 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.827 14.123 -4.166 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.445 14.559 -4.726 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.878 11.619 -6.623 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.602 13.147 -6.111 1.00 0.00 H new ATOM 906 N ALA A 62 -5.454 8.682 -0.225 1.00 0.00 N ATOM 907 CA ALA A 62 -5.176 7.318 0.206 1.00 0.00 C ATOM 908 C ALA A 62 -5.444 7.147 1.697 1.00 0.00 C ATOM 909 O ALA A 62 -5.898 6.092 2.138 1.00 0.00 O ATOM 910 CB ALA A 62 -3.737 6.945 -0.120 1.00 0.00 C ATOM 0 H ALA A 62 -4.667 9.323 -0.130 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.845 6.649 -0.335 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.543 5.924 0.207 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.577 7.018 -1.196 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.059 7.626 0.395 1.00 0.00 H new ATOM 916 N GLN A 63 -5.159 8.192 2.468 1.00 0.00 N ATOM 917 CA GLN A 63 -5.368 8.156 3.911 1.00 0.00 C ATOM 918 C GLN A 63 -6.855 8.202 4.246 1.00 0.00 C ATOM 919 O GLN A 63 -7.303 7.595 5.219 1.00 0.00 O ATOM 920 CB GLN A 63 -4.645 9.325 4.582 1.00 0.00 C ATOM 921 CG GLN A 63 -4.679 9.270 6.100 1.00 0.00 C ATOM 922 CD GLN A 63 -5.880 9.988 6.684 1.00 0.00 C ATOM 923 OE1 GLN A 63 -6.528 10.788 6.009 1.00 0.00 O ATOM 924 NE2 GLN A 63 -6.184 9.704 7.945 1.00 0.00 N ATOM 0 H GLN A 63 -4.783 9.073 2.118 1.00 0.00 H new ATOM 0 HA GLN A 63 -4.958 7.220 4.289 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.607 9.338 4.250 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.097 10.260 4.250 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.691 8.229 6.422 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.766 9.715 6.496 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.619 9.034 8.467 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.982 10.156 8.391 1.00 0.00 H new ATOM 933 N LYS A 64 -7.618 8.927 3.434 1.00 0.00 N ATOM 934 CA LYS A 64 -9.055 9.053 3.643 1.00 0.00 C ATOM 935 C LYS A 64 -9.797 7.858 3.053 1.00 0.00 C ATOM 936 O LYS A 64 -10.840 7.450 3.564 1.00 0.00 O ATOM 937 CB LYS A 64 -9.571 10.349 3.014 1.00 0.00 C ATOM 938 CG LYS A 64 -9.623 10.309 1.496 1.00 0.00 C ATOM 939 CD LYS A 64 -10.917 9.686 0.999 1.00 0.00 C ATOM 940 CE LYS A 64 -10.703 8.916 -0.295 1.00 0.00 C ATOM 941 NZ LYS A 64 -10.956 9.763 -1.494 1.00 0.00 N ATOM 0 H LYS A 64 -7.264 9.437 2.624 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.240 9.079 4.717 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.570 10.557 3.398 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.931 11.174 3.326 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.530 11.321 1.101 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.775 9.739 1.117 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.316 9.016 1.761 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.661 10.467 0.840 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -9.681 8.537 -0.327 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.365 8.050 -0.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.799 9.201 -2.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -11.938 10.104 -1.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -10.307 10.576 -1.488 1.00 0.00 H new ATOM 955 N ARG A 65 -9.252 7.301 1.977 1.00 0.00 N ATOM 956 CA ARG A 65 -9.863 6.153 1.318 1.00 0.00 C ATOM 957 C ARG A 65 -9.627 4.876 2.121 1.00 0.00 C ATOM 958 O ARG A 65 -10.572 4.243 2.589 1.00 0.00 O ATOM 959 CB ARG A 65 -9.301 5.990 -0.095 1.00 0.00 C ATOM 960 CG ARG A 65 -9.384 4.567 -0.624 1.00 0.00 C ATOM 961 CD ARG A 65 -10.827 4.106 -0.758 1.00 0.00 C ATOM 962 NE ARG A 65 -10.984 3.093 -1.797 1.00 0.00 N ATOM 963 CZ ARG A 65 -10.867 3.348 -3.096 1.00 0.00 C ATOM 964 NH1 ARG A 65 -10.594 4.577 -3.512 1.00 0.00 N ATOM 965 NH2 ARG A 65 -11.024 2.372 -3.981 1.00 0.00 N ATOM 0 H ARG A 65 -8.388 7.626 1.543 1.00 0.00 H new ATOM 0 HA ARG A 65 -10.937 6.330 1.256 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.843 6.652 -0.771 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -8.259 6.311 -0.102 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -8.891 4.509 -1.594 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.847 3.896 0.047 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.169 3.703 0.195 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.461 4.962 -0.988 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.195 2.137 -1.510 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -10.473 5.330 -2.834 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -10.505 4.770 -4.510 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -11.235 1.426 -3.664 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -10.934 2.568 -4.978 1.00 0.00 H new ATOM 979 N MET A 66 -8.360 4.506 2.275 1.00 0.00 N ATOM 980 CA MET A 66 -8.001 3.306 3.022 1.00 0.00 C ATOM 981 C MET A 66 -8.730 3.260 4.361 1.00 0.00 C ATOM 982 O MET A 66 -9.440 2.300 4.658 1.00 0.00 O ATOM 983 CB MET A 66 -6.489 3.255 3.249 1.00 0.00 C ATOM 984 CG MET A 66 -5.707 2.782 2.034 1.00 0.00 C ATOM 985 SD MET A 66 -3.973 2.457 2.407 1.00 0.00 S ATOM 986 CE MET A 66 -3.181 3.810 1.541 1.00 0.00 C ATOM 0 H MET A 66 -7.566 5.019 1.893 1.00 0.00 H new ATOM 0 HA MET A 66 -8.303 2.439 2.435 1.00 0.00 H new ATOM 0 HB2 MET A 66 -6.139 4.248 3.532 1.00 0.00 H new ATOM 0 HB3 MET A 66 -6.278 2.591 4.087 1.00 0.00 H new ATOM 0 HG2 MET A 66 -6.166 1.875 1.642 1.00 0.00 H new ATOM 0 HG3 MET A 66 -5.771 3.536 1.250 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.169 3.943 1.923 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.140 3.586 0.475 1.00 0.00 H new ATOM 0 HE3 MET A 66 -3.751 4.726 1.698 1.00 0.00 H new ATOM 996 N GLU A 67 -8.549 4.304 5.164 1.00 0.00 N ATOM 997 CA GLU A 67 -9.190 4.380 6.472 1.00 0.00 C ATOM 998 C GLU A 67 -10.614 3.835 6.413 1.00 0.00 C ATOM 999 O GLU A 67 -11.055 3.123 7.314 1.00 0.00 O ATOM 1000 CB GLU A 67 -9.206 5.826 6.973 1.00 0.00 C ATOM 1001 CG GLU A 67 -9.966 6.777 6.064 1.00 0.00 C ATOM 1002 CD GLU A 67 -10.160 8.147 6.684 1.00 0.00 C ATOM 1003 OE1 GLU A 67 -9.156 8.752 7.113 1.00 0.00 O ATOM 1004 OE2 GLU A 67 -11.317 8.614 6.740 1.00 0.00 O ATOM 0 H GLU A 67 -7.965 5.107 4.932 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.614 3.768 7.166 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.653 5.852 7.967 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.179 6.177 7.075 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.427 6.882 5.122 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.940 6.348 5.828 1.00 0.00 H new ATOM 1011 N ASN A 68 -11.328 4.176 5.345 1.00 0.00 N ATOM 1012 CA ASN A 68 -12.702 3.722 5.168 1.00 0.00 C ATOM 1013 C ASN A 68 -12.743 2.375 4.453 1.00 0.00 C ATOM 1014 O ASN A 68 -13.673 1.591 4.638 1.00 0.00 O ATOM 1015 CB ASN A 68 -13.505 4.756 4.376 1.00 0.00 C ATOM 1016 CG ASN A 68 -13.462 6.132 5.012 1.00 0.00 C ATOM 1017 OD1 ASN A 68 -13.283 7.140 4.328 1.00 0.00 O ATOM 1018 ND2 ASN A 68 -13.627 6.180 6.329 1.00 0.00 N ATOM 0 H ASN A 68 -10.978 4.765 4.590 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.148 3.603 6.155 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -13.114 4.816 3.360 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.541 4.426 4.299 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.608 7.078 6.813 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -13.773 5.319 6.856 1.00 0.00 H new ATOM 1025 N GLU A 69 -11.727 2.113 3.636 1.00 0.00 N ATOM 1026 CA GLU A 69 -11.647 0.861 2.894 1.00 0.00 C ATOM 1027 C GLU A 69 -11.586 -0.332 3.844 1.00 0.00 C ATOM 1028 O GLU A 69 -11.356 -0.173 5.043 1.00 0.00 O ATOM 1029 CB GLU A 69 -10.420 0.862 1.979 1.00 0.00 C ATOM 1030 CG GLU A 69 -10.316 -0.372 1.099 1.00 0.00 C ATOM 1031 CD GLU A 69 -11.537 -0.567 0.221 1.00 0.00 C ATOM 1032 OE1 GLU A 69 -12.364 0.365 0.140 1.00 0.00 O ATOM 1033 OE2 GLU A 69 -11.666 -1.651 -0.386 1.00 0.00 O ATOM 0 H GLU A 69 -10.949 2.751 3.472 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.546 0.772 2.284 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.451 1.748 1.345 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.521 0.938 2.591 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.430 -0.291 0.470 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.181 -1.252 1.728 1.00 0.00 H new ATOM 1040 N ASP A 70 -11.793 -1.525 3.299 1.00 0.00 N ATOM 1041 CA ASP A 70 -11.761 -2.746 4.097 1.00 0.00 C ATOM 1042 C ASP A 70 -10.860 -3.794 3.451 1.00 0.00 C ATOM 1043 O ASP A 70 -11.318 -4.624 2.666 1.00 0.00 O ATOM 1044 CB ASP A 70 -13.174 -3.306 4.267 1.00 0.00 C ATOM 1045 CG ASP A 70 -13.849 -3.588 2.939 1.00 0.00 C ATOM 1046 OD1 ASP A 70 -13.963 -2.652 2.120 1.00 0.00 O ATOM 1047 OD2 ASP A 70 -14.263 -4.745 2.719 1.00 0.00 O ATOM 0 H ASP A 70 -11.985 -1.673 2.308 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.355 -2.499 5.078 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -13.129 -4.225 4.851 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -13.777 -2.597 4.834 1.00 0.00 H new ATOM 1052 N VAL A 71 -9.574 -3.748 3.786 1.00 0.00 N ATOM 1053 CA VAL A 71 -8.608 -4.693 3.239 1.00 0.00 C ATOM 1054 C VAL A 71 -9.228 -6.075 3.064 1.00 0.00 C ATOM 1055 O VAL A 71 -9.149 -6.671 1.990 1.00 0.00 O ATOM 1056 CB VAL A 71 -7.365 -4.811 4.142 1.00 0.00 C ATOM 1057 CG1 VAL A 71 -7.773 -5.128 5.573 1.00 0.00 C ATOM 1058 CG2 VAL A 71 -6.414 -5.869 3.604 1.00 0.00 C ATOM 0 H VAL A 71 -9.178 -3.067 4.433 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.306 -4.308 2.265 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.845 -3.853 4.141 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -6.882 -5.208 6.196 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.412 -4.332 5.954 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.317 -6.072 5.596 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.542 -5.939 4.254 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.922 -6.833 3.573 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.096 -5.595 2.598 1.00 0.00 H new ATOM 1068 N PHE A 72 -9.847 -6.578 4.127 1.00 0.00 N ATOM 1069 CA PHE A 72 -10.482 -7.890 4.092 1.00 0.00 C ATOM 1070 C PHE A 72 -11.380 -8.093 5.309 1.00 0.00 C ATOM 1071 O PHE A 72 -10.898 -8.304 6.421 1.00 0.00 O ATOM 1072 CB PHE A 72 -9.422 -8.992 4.037 1.00 0.00 C ATOM 1073 CG PHE A 72 -8.995 -9.344 2.640 1.00 0.00 C ATOM 1074 CD1 PHE A 72 -9.935 -9.665 1.675 1.00 0.00 C ATOM 1075 CD2 PHE A 72 -7.653 -9.354 2.294 1.00 0.00 C ATOM 1076 CE1 PHE A 72 -9.546 -9.990 0.389 1.00 0.00 C ATOM 1077 CE2 PHE A 72 -7.258 -9.677 1.009 1.00 0.00 C ATOM 1078 CZ PHE A 72 -8.206 -9.997 0.056 1.00 0.00 C ATOM 0 H PHE A 72 -9.922 -6.097 5.023 1.00 0.00 H new ATOM 0 HA PHE A 72 -11.099 -7.943 3.195 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -8.549 -8.674 4.606 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -9.812 -9.885 4.525 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -10.984 -9.661 1.930 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -6.908 -9.107 3.036 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -10.289 -10.238 -0.354 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.209 -9.679 0.750 1.00 0.00 H new ATOM 0 HZ PHE A 72 -7.899 -10.252 -0.948 1.00 0.00 H new ATOM 1088 N GLY A 73 -12.689 -8.027 5.089 1.00 0.00 N ATOM 1089 CA GLY A 73 -13.634 -8.204 6.176 1.00 0.00 C ATOM 1090 C GLY A 73 -13.198 -7.497 7.444 1.00 0.00 C ATOM 1091 O GLY A 73 -13.617 -7.864 8.541 1.00 0.00 O ATOM 0 H GLY A 73 -13.112 -7.854 4.177 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.610 -7.826 5.870 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.754 -9.268 6.380 1.00 0.00 H new ATOM 1095 N ASN A 74 -12.354 -6.482 7.294 1.00 0.00 N ATOM 1096 CA ASN A 74 -11.859 -5.724 8.437 1.00 0.00 C ATOM 1097 C ASN A 74 -11.501 -4.298 8.030 1.00 0.00 C ATOM 1098 O ASN A 74 -10.788 -4.082 7.049 1.00 0.00 O ATOM 1099 CB ASN A 74 -10.636 -6.415 9.043 1.00 0.00 C ATOM 1100 CG ASN A 74 -9.849 -5.499 9.960 1.00 0.00 C ATOM 1101 OD1 ASN A 74 -10.393 -4.939 10.912 1.00 0.00 O ATOM 1102 ND2 ASN A 74 -8.562 -5.341 9.675 1.00 0.00 N ATOM 0 H ASN A 74 -11.998 -6.165 6.392 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.652 -5.682 9.184 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -10.958 -7.294 9.601 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -9.987 -6.767 8.241 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -7.982 -4.735 10.255 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -8.153 -5.825 8.876 1.00 0.00 H new ATOM 1109 N ARG A 75 -11.999 -3.328 8.790 1.00 0.00 N ATOM 1110 CA ARG A 75 -11.733 -1.923 8.508 1.00 0.00 C ATOM 1111 C ARG A 75 -10.306 -1.551 8.900 1.00 0.00 C ATOM 1112 O ARG A 75 -9.885 -1.777 10.035 1.00 0.00 O ATOM 1113 CB ARG A 75 -12.727 -1.033 9.256 1.00 0.00 C ATOM 1114 CG ARG A 75 -13.030 0.274 8.544 1.00 0.00 C ATOM 1115 CD ARG A 75 -14.159 0.112 7.537 1.00 0.00 C ATOM 1116 NE ARG A 75 -15.463 0.017 8.188 1.00 0.00 N ATOM 1117 CZ ARG A 75 -16.613 -0.028 7.525 1.00 0.00 C ATOM 1118 NH1 ARG A 75 -16.621 0.011 6.200 1.00 0.00 N ATOM 1119 NH2 ARG A 75 -17.759 -0.114 8.188 1.00 0.00 N ATOM 0 H ARG A 75 -12.589 -3.490 9.606 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.850 -1.765 7.436 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.657 -1.583 9.399 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -12.330 -0.813 10.247 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.301 1.034 9.277 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.134 0.628 8.034 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.157 0.959 6.851 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.986 -0.783 6.939 1.00 0.00 H new ATOM 0 HE ARG A 75 -15.492 -0.017 9.207 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -15.742 0.076 5.686 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -17.506 -0.024 5.694 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -17.757 -0.146 9.208 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -18.642 -0.148 7.678 1.00 0.00 H new ATOM 1133 N ILE A 76 -9.567 -0.981 7.954 1.00 0.00 N ATOM 1134 CA ILE A 76 -8.188 -0.578 8.201 1.00 0.00 C ATOM 1135 C ILE A 76 -8.099 0.911 8.515 1.00 0.00 C ATOM 1136 O ILE A 76 -8.974 1.690 8.135 1.00 0.00 O ATOM 1137 CB ILE A 76 -7.285 -0.892 6.994 1.00 0.00 C ATOM 1138 CG1 ILE A 76 -7.904 -0.338 5.709 1.00 0.00 C ATOM 1139 CG2 ILE A 76 -7.060 -2.392 6.876 1.00 0.00 C ATOM 1140 CD1 ILE A 76 -7.016 -0.494 4.494 1.00 0.00 C ATOM 0 H ILE A 76 -9.900 -0.788 7.009 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.841 -1.150 9.062 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.319 -0.411 7.147 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.851 -0.844 5.524 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.130 0.719 5.851 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.420 -2.598 6.018 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.581 -2.760 7.783 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -8.018 -2.894 6.742 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.519 -0.080 3.620 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -6.078 0.036 4.658 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.811 -1.551 4.327 1.00 0.00 H new ATOM 1152 N ILE A 77 -7.035 1.301 9.209 1.00 0.00 N ATOM 1153 CA ILE A 77 -6.830 2.698 9.572 1.00 0.00 C ATOM 1154 C ILE A 77 -5.573 3.258 8.914 1.00 0.00 C ATOM 1155 O ILE A 77 -4.604 2.534 8.686 1.00 0.00 O ATOM 1156 CB ILE A 77 -6.718 2.873 11.098 1.00 0.00 C ATOM 1157 CG1 ILE A 77 -7.954 2.296 11.791 1.00 0.00 C ATOM 1158 CG2 ILE A 77 -6.545 4.343 11.451 1.00 0.00 C ATOM 1159 CD1 ILE A 77 -7.757 2.049 13.270 1.00 0.00 C ATOM 0 H ILE A 77 -6.302 0.669 9.531 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.701 3.248 9.215 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.841 2.329 11.448 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -8.791 2.981 11.654 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.227 1.358 11.307 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.467 4.451 12.533 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -5.638 4.725 10.982 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.405 4.907 11.091 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.673 1.640 13.696 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.942 1.340 13.415 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -7.514 2.988 13.767 1.00 0.00 H new ATOM 1171 N VAL A 78 -5.596 4.552 8.612 1.00 0.00 N ATOM 1172 CA VAL A 78 -4.458 5.211 7.983 1.00 0.00 C ATOM 1173 C VAL A 78 -4.150 6.542 8.660 1.00 0.00 C ATOM 1174 O VAL A 78 -5.022 7.401 8.788 1.00 0.00 O ATOM 1175 CB VAL A 78 -4.709 5.456 6.484 1.00 0.00 C ATOM 1176 CG1 VAL A 78 -3.424 5.881 5.789 1.00 0.00 C ATOM 1177 CG2 VAL A 78 -5.291 4.211 5.831 1.00 0.00 C ATOM 0 H VAL A 78 -6.391 5.165 8.793 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.604 4.543 8.096 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.433 6.264 6.382 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.621 6.050 4.730 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.054 6.802 6.240 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.675 5.097 5.898 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.462 4.402 4.772 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.593 3.382 5.942 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.236 3.956 6.311 1.00 0.00 H new ATOM 1187 N SER A 79 -2.904 6.706 9.091 1.00 0.00 N ATOM 1188 CA SER A 79 -2.481 7.932 9.758 1.00 0.00 C ATOM 1189 C SER A 79 -1.140 8.414 9.212 1.00 0.00 C ATOM 1190 O SER A 79 -0.303 7.613 8.796 1.00 0.00 O ATOM 1191 CB SER A 79 -2.378 7.707 11.268 1.00 0.00 C ATOM 1192 OG SER A 79 -2.683 8.892 11.982 1.00 0.00 O ATOM 0 H SER A 79 -2.169 6.006 8.990 1.00 0.00 H new ATOM 0 HA SER A 79 -3.230 8.699 9.562 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.061 6.912 11.568 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.371 7.375 11.522 1.00 0.00 H new ATOM 0 HG SER A 79 -2.612 8.722 12.944 1.00 0.00 H new ATOM 1198 N PHE A 80 -0.944 9.728 9.216 1.00 0.00 N ATOM 1199 CA PHE A 80 0.294 10.318 8.720 1.00 0.00 C ATOM 1200 C PHE A 80 1.413 10.177 9.747 1.00 0.00 C ATOM 1201 O PHE A 80 2.592 10.117 9.395 1.00 0.00 O ATOM 1202 CB PHE A 80 0.080 11.795 8.382 1.00 0.00 C ATOM 1203 CG PHE A 80 -0.533 12.017 7.029 1.00 0.00 C ATOM 1204 CD1 PHE A 80 -1.743 11.429 6.697 1.00 0.00 C ATOM 1205 CD2 PHE A 80 0.100 12.815 6.089 1.00 0.00 C ATOM 1206 CE1 PHE A 80 -2.309 11.632 5.452 1.00 0.00 C ATOM 1207 CE2 PHE A 80 -0.461 13.021 4.843 1.00 0.00 C ATOM 1208 CZ PHE A 80 -1.668 12.430 4.525 1.00 0.00 C ATOM 0 H PHE A 80 -1.627 10.405 9.557 1.00 0.00 H new ATOM 0 HA PHE A 80 0.585 9.784 7.816 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.561 12.244 9.141 1.00 0.00 H new ATOM 0 HB3 PHE A 80 1.038 12.313 8.427 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.250 10.805 7.419 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.043 13.281 6.333 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -3.252 11.167 5.205 1.00 0.00 H new ATOM 0 HE2 PHE A 80 0.044 13.643 4.119 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.110 12.592 3.553 1.00 0.00 H new ATOM 1218 N THR A 81 1.036 10.124 11.021 1.00 0.00 N ATOM 1219 CA THR A 81 2.007 9.992 12.100 1.00 0.00 C ATOM 1220 C THR A 81 1.963 8.596 12.711 1.00 0.00 C ATOM 1221 O THR A 81 0.972 7.873 12.597 1.00 0.00 O ATOM 1222 CB THR A 81 1.760 11.033 13.209 1.00 0.00 C ATOM 1223 OG1 THR A 81 0.355 11.261 13.362 1.00 0.00 O ATOM 1224 CG2 THR A 81 2.459 12.344 12.884 1.00 0.00 C ATOM 0 H THR A 81 0.065 10.170 11.330 1.00 0.00 H new ATOM 0 HA THR A 81 2.991 10.164 11.663 1.00 0.00 H new ATOM 0 HB THR A 81 2.168 10.643 14.142 1.00 0.00 H new ATOM 0 HG1 THR A 81 0.206 11.922 14.070 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.271 13.064 13.681 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.532 12.172 12.796 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.076 12.737 11.942 1.00 0.00 H new ATOM 1232 N PRO A 82 3.060 8.205 13.377 1.00 0.00 N ATOM 1233 CA PRO A 82 3.170 6.893 14.020 1.00 0.00 C ATOM 1234 C PRO A 82 2.266 6.769 15.242 1.00 0.00 C ATOM 1235 O PRO A 82 1.911 7.767 15.869 1.00 0.00 O ATOM 1236 CB PRO A 82 4.642 6.824 14.435 1.00 0.00 C ATOM 1237 CG PRO A 82 5.062 8.246 14.579 1.00 0.00 C ATOM 1238 CD PRO A 82 4.277 9.015 13.552 1.00 0.00 C ATOM 0 HA PRO A 82 2.862 6.086 13.355 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.764 6.278 15.371 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.241 6.308 13.685 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.856 8.614 15.584 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.134 8.355 14.413 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.043 10.022 13.896 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.829 9.118 12.618 1.00 0.00 H new ATOM 1246 N LYS A 83 1.896 5.537 15.575 1.00 0.00 N ATOM 1247 CA LYS A 83 1.034 5.280 16.723 1.00 0.00 C ATOM 1248 C LYS A 83 1.780 4.499 17.800 1.00 0.00 C ATOM 1249 O LYS A 83 1.571 4.714 18.993 1.00 0.00 O ATOM 1250 CB LYS A 83 -0.212 4.506 16.288 1.00 0.00 C ATOM 1251 CG LYS A 83 -1.034 5.222 15.231 1.00 0.00 C ATOM 1252 CD LYS A 83 -2.508 4.864 15.333 1.00 0.00 C ATOM 1253 CE LYS A 83 -2.726 3.364 15.212 1.00 0.00 C ATOM 1254 NZ LYS A 83 -4.144 2.987 15.466 1.00 0.00 N ATOM 0 H LYS A 83 2.180 4.700 15.066 1.00 0.00 H new ATOM 0 HA LYS A 83 0.731 6.240 17.140 1.00 0.00 H new ATOM 0 HB2 LYS A 83 0.091 3.533 15.903 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.839 4.322 17.161 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.912 6.299 15.342 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.663 4.959 14.240 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.904 5.215 16.286 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -3.064 5.378 14.549 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.436 3.034 14.214 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -2.080 2.845 15.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.251 1.957 15.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.414 3.279 16.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.759 3.462 14.775 1.00 0.00 H new