USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 707 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 48 CYS SG : rot 174:sc= -1.81 USER MOD Set 1.2: A 52 SER OG : rot 180:sc= 0.326 USER MOD Set 2.1: A 21 THR OG1 : rot 90:sc= 0.186! USER MOD Set 2.2: A 24 THR OG1 : rot 180:sc= -1.36 USER MOD Single : A 9 THR OG1 : rot -45:sc= 0.346 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.031 K(o=-0.031,f=-1.2) USER MOD Single : A 14 HIS : no HD1:sc= -0.612 X(o=-0.61,f=-0.61) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -140:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 30:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.22 USER MOD Single : A 59 ASN : amide:sc= -1.94! C(o=-1.9!,f=-13!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 CYS SG : rot 150:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -41:sc= 0.871 USER MOD Single : A 87 ASN : amide:sc= -8.25! C(o=-8.3!,f=-14!) USER MOD Single : A 92 SER OG : rot -160:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.143 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N THR A 9 -0.705 10.797 1.552 1.00 0.00 N ATOM 81 CA THR A 9 -2.042 10.306 1.268 1.00 0.00 C ATOM 82 C THR A 9 -2.451 9.248 2.295 1.00 0.00 C ATOM 83 O THR A 9 -1.600 8.677 2.975 1.00 0.00 O ATOM 84 CB THR A 9 -2.062 9.793 -0.173 1.00 0.00 C ATOM 85 OG1 THR A 9 -1.051 8.788 -0.198 1.00 0.00 O ATOM 86 CG2 THR A 9 -1.570 10.840 -1.174 1.00 0.00 C ATOM 0 HA THR A 9 -2.782 11.102 1.355 1.00 0.00 H new ATOM 0 HB THR A 9 -3.075 9.487 -0.435 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.249 9.119 0.257 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.604 10.425 -2.181 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.210 11.721 -1.123 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.545 11.121 -0.932 1.00 0.00 H new ATOM 94 N SER A 10 -3.753 9.018 2.375 1.00 0.00 N ATOM 95 CA SER A 10 -4.285 8.039 3.307 1.00 0.00 C ATOM 96 C SER A 10 -3.651 6.671 3.047 1.00 0.00 C ATOM 97 O SER A 10 -3.550 6.237 1.901 1.00 0.00 O ATOM 98 CB SER A 10 -5.809 7.947 3.200 1.00 0.00 C ATOM 99 OG SER A 10 -6.457 8.448 4.365 1.00 0.00 O ATOM 0 H SER A 10 -4.456 9.493 1.809 1.00 0.00 H new ATOM 0 HA SER A 10 -4.038 8.361 4.319 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.146 8.508 2.328 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.099 6.908 3.042 1.00 0.00 H new ATOM 0 HG SER A 10 -7.428 8.373 4.257 1.00 0.00 H new ATOM 105 N ALA A 11 -3.240 6.030 4.132 1.00 0.00 N ATOM 106 CA ALA A 11 -2.618 4.720 4.036 1.00 0.00 C ATOM 107 C ALA A 11 -3.496 3.805 3.179 1.00 0.00 C ATOM 108 O ALA A 11 -4.668 4.100 2.950 1.00 0.00 O ATOM 109 CB ALA A 11 -2.388 4.160 5.441 1.00 0.00 C ATOM 0 H ALA A 11 -3.326 6.393 5.081 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.645 4.791 3.551 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.922 3.177 5.369 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.735 4.832 5.998 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.343 4.071 5.958 1.00 0.00 H new ATOM 115 N PRO A 12 -2.880 2.684 2.718 1.00 0.00 N ATOM 116 CA PRO A 12 -3.592 1.724 1.893 1.00 0.00 C ATOM 117 C PRO A 12 -4.559 0.888 2.734 1.00 0.00 C ATOM 118 O PRO A 12 -4.449 0.850 3.958 1.00 0.00 O ATOM 119 CB PRO A 12 -2.506 0.890 1.232 1.00 0.00 C ATOM 120 CG PRO A 12 -1.252 1.106 2.064 1.00 0.00 C ATOM 121 CD PRO A 12 -1.493 2.302 2.970 1.00 0.00 C ATOM 0 HA PRO A 12 -4.222 2.201 1.142 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.783 -0.164 1.208 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.348 1.201 0.199 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.029 0.218 2.656 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.392 1.283 1.419 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.338 2.043 4.017 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.809 3.118 2.738 1.00 0.00 H new ATOM 129 N GLN A 13 -5.485 0.239 2.043 1.00 0.00 N ATOM 130 CA GLN A 13 -6.471 -0.594 2.711 1.00 0.00 C ATOM 131 C GLN A 13 -6.969 -1.689 1.766 1.00 0.00 C ATOM 132 O GLN A 13 -6.744 -1.621 0.559 1.00 0.00 O ATOM 133 CB GLN A 13 -7.635 0.249 3.236 1.00 0.00 C ATOM 134 CG GLN A 13 -7.900 1.447 2.322 1.00 0.00 C ATOM 135 CD GLN A 13 -9.345 1.931 2.458 1.00 0.00 C ATOM 136 OE1 GLN A 13 -10.090 1.508 3.327 1.00 0.00 O ATOM 137 NE2 GLN A 13 -9.699 2.839 1.553 1.00 0.00 N ATOM 0 H GLN A 13 -5.573 0.273 1.027 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.995 -1.071 3.568 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.532 -0.366 3.305 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.410 0.598 4.244 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.216 2.258 2.572 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.701 1.170 1.287 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.026 3.150 0.852 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.643 3.224 1.560 1.00 0.00 H new ATOM 146 N HIS A 14 -7.636 -2.673 2.351 1.00 0.00 N ATOM 147 CA HIS A 14 -8.167 -3.781 1.576 1.00 0.00 C ATOM 148 C HIS A 14 -7.014 -4.587 0.975 1.00 0.00 C ATOM 149 O HIS A 14 -7.157 -5.181 -0.092 1.00 0.00 O ATOM 150 CB HIS A 14 -9.155 -3.281 0.520 1.00 0.00 C ATOM 151 CG HIS A 14 -10.507 -2.902 1.075 1.00 0.00 C ATOM 152 ND1 HIS A 14 -11.584 -3.771 1.084 1.00 0.00 N ATOM 153 CD2 HIS A 14 -10.945 -1.740 1.639 1.00 0.00 C ATOM 154 CE1 HIS A 14 -12.619 -3.149 1.630 1.00 0.00 C ATOM 155 NE2 HIS A 14 -12.220 -1.890 1.973 1.00 0.00 N ATOM 0 H HIS A 14 -7.821 -2.726 3.353 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.729 -4.449 2.228 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -8.725 -2.416 0.016 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.288 -4.056 -0.235 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -10.354 -0.849 1.788 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -13.605 -3.565 1.777 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -12.806 -1.181 2.414 1.00 0.00 H new ATOM 163 N LEU A 15 -5.896 -4.581 1.686 1.00 0.00 N ATOM 164 CA LEU A 15 -4.719 -5.303 1.237 1.00 0.00 C ATOM 165 C LEU A 15 -4.798 -6.752 1.722 1.00 0.00 C ATOM 166 O LEU A 15 -4.604 -7.025 2.906 1.00 0.00 O ATOM 167 CB LEU A 15 -3.445 -4.578 1.674 1.00 0.00 C ATOM 168 CG LEU A 15 -2.124 -5.242 1.277 1.00 0.00 C ATOM 169 CD1 LEU A 15 -1.843 -5.055 -0.215 1.00 0.00 C ATOM 170 CD2 LEU A 15 -0.972 -4.734 2.147 1.00 0.00 C ATOM 0 H LEU A 15 -5.781 -4.087 2.571 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.684 -5.332 0.148 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.462 -3.571 1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.464 -4.473 2.759 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.213 -6.314 1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.899 -5.536 -0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.648 -5.504 -0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.781 -3.991 -0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.045 -5.221 1.844 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.872 -3.656 2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.178 -4.963 3.193 1.00 0.00 H new ATOM 182 N THR A 16 -5.084 -7.642 0.784 1.00 0.00 N ATOM 183 CA THR A 16 -5.192 -9.056 1.101 1.00 0.00 C ATOM 184 C THR A 16 -4.468 -9.896 0.047 1.00 0.00 C ATOM 185 O THR A 16 -3.990 -9.365 -0.954 1.00 0.00 O ATOM 186 CB THR A 16 -6.677 -9.399 1.236 1.00 0.00 C ATOM 187 OG1 THR A 16 -7.304 -8.636 0.209 1.00 0.00 O ATOM 188 CG2 THR A 16 -7.288 -8.855 2.530 1.00 0.00 C ATOM 0 H THR A 16 -5.244 -7.412 -0.197 1.00 0.00 H new ATOM 0 HA THR A 16 -4.703 -9.287 2.047 1.00 0.00 H new ATOM 0 HB THR A 16 -6.804 -10.481 1.201 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.270 -8.800 0.223 1.00 0.00 H new ATOM 0 HG21 THR A 16 -8.343 -9.126 2.576 1.00 0.00 H new ATOM 0 HG22 THR A 16 -6.766 -9.282 3.386 1.00 0.00 H new ATOM 0 HG23 THR A 16 -7.191 -7.769 2.550 1.00 0.00 H new ATOM 196 N VAL A 17 -4.410 -11.194 0.308 1.00 0.00 N ATOM 197 CA VAL A 17 -3.753 -12.113 -0.606 1.00 0.00 C ATOM 198 C VAL A 17 -4.804 -12.780 -1.495 1.00 0.00 C ATOM 199 O VAL A 17 -5.639 -13.542 -1.010 1.00 0.00 O ATOM 200 CB VAL A 17 -2.909 -13.118 0.180 1.00 0.00 C ATOM 201 CG1 VAL A 17 -2.354 -14.206 -0.741 1.00 0.00 C ATOM 202 CG2 VAL A 17 -1.783 -12.414 0.939 1.00 0.00 C ATOM 0 H VAL A 17 -4.807 -11.631 1.140 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.068 -11.576 -1.261 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.557 -13.598 0.913 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.758 -14.907 -0.157 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.179 -14.738 -1.215 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.729 -13.749 -1.508 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.199 -13.151 1.489 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.137 -11.894 0.232 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.210 -11.695 1.638 1.00 0.00 H new ATOM 212 N GLU A 18 -4.729 -12.469 -2.781 1.00 0.00 N ATOM 213 CA GLU A 18 -5.663 -13.029 -3.742 1.00 0.00 C ATOM 214 C GLU A 18 -5.267 -14.465 -4.094 1.00 0.00 C ATOM 215 O GLU A 18 -6.107 -15.363 -4.094 1.00 0.00 O ATOM 216 CB GLU A 18 -5.745 -12.160 -4.998 1.00 0.00 C ATOM 217 CG GLU A 18 -6.273 -10.763 -4.664 1.00 0.00 C ATOM 218 CD GLU A 18 -7.587 -10.845 -3.884 1.00 0.00 C ATOM 219 OE1 GLU A 18 -8.610 -11.163 -4.528 1.00 0.00 O ATOM 220 OE2 GLU A 18 -7.538 -10.589 -2.662 1.00 0.00 O ATOM 0 H GLU A 18 -4.035 -11.836 -3.179 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.653 -13.047 -3.287 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.758 -12.080 -5.455 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.398 -12.634 -5.731 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.531 -10.221 -4.078 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.427 -10.199 -5.584 1.00 0.00 H new ATOM 227 N ASP A 19 -3.986 -14.636 -4.386 1.00 0.00 N ATOM 228 CA ASP A 19 -3.467 -15.947 -4.739 1.00 0.00 C ATOM 229 C ASP A 19 -2.061 -16.107 -4.158 1.00 0.00 C ATOM 230 O ASP A 19 -1.469 -15.141 -3.678 1.00 0.00 O ATOM 231 CB ASP A 19 -3.373 -16.111 -6.257 1.00 0.00 C ATOM 232 CG ASP A 19 -3.283 -17.558 -6.746 1.00 0.00 C ATOM 233 OD1 ASP A 19 -4.184 -18.340 -6.374 1.00 0.00 O ATOM 234 OD2 ASP A 19 -2.314 -17.849 -7.481 1.00 0.00 O ATOM 0 H ASP A 19 -3.292 -13.889 -4.385 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.146 -16.699 -4.336 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.245 -15.643 -6.713 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.497 -15.568 -6.613 1.00 0.00 H new ATOM 239 N VAL A 20 -1.566 -17.335 -4.221 1.00 0.00 N ATOM 240 CA VAL A 20 -0.240 -17.634 -3.707 1.00 0.00 C ATOM 241 C VAL A 20 0.366 -18.785 -4.513 1.00 0.00 C ATOM 242 O VAL A 20 -0.220 -19.862 -4.603 1.00 0.00 O ATOM 243 CB VAL A 20 -0.314 -17.930 -2.208 1.00 0.00 C ATOM 244 CG1 VAL A 20 0.937 -18.670 -1.732 1.00 0.00 C ATOM 245 CG2 VAL A 20 -0.529 -16.644 -1.406 1.00 0.00 C ATOM 0 H VAL A 20 -2.059 -18.134 -4.620 1.00 0.00 H new ATOM 0 HA VAL A 20 0.418 -16.772 -3.823 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.172 -18.580 -2.037 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.858 -18.868 -0.663 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.028 -19.614 -2.270 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.817 -18.057 -1.923 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.578 -16.882 -0.343 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.300 -15.960 -1.587 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.462 -16.174 -1.716 1.00 0.00 H new ATOM 255 N THR A 21 1.534 -18.516 -5.080 1.00 0.00 N ATOM 256 CA THR A 21 2.226 -19.516 -5.876 1.00 0.00 C ATOM 257 C THR A 21 3.326 -20.186 -5.050 1.00 0.00 C ATOM 258 O THR A 21 3.279 -20.176 -3.821 1.00 0.00 O ATOM 259 CB THR A 21 2.748 -18.833 -7.142 1.00 0.00 C ATOM 260 OG1 THR A 21 1.979 -17.637 -7.233 1.00 0.00 O ATOM 261 CG2 THR A 21 2.388 -19.605 -8.413 1.00 0.00 C ATOM 0 H THR A 21 2.018 -17.621 -5.004 1.00 0.00 H new ATOM 0 HA THR A 21 1.553 -20.319 -6.176 1.00 0.00 H new ATOM 0 HB THR A 21 3.831 -18.725 -7.077 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.439 -16.915 -6.756 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.781 -19.078 -9.282 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.822 -20.604 -8.367 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.304 -19.684 -8.496 1.00 0.00 H new ATOM 269 N ASP A 22 4.291 -20.754 -5.759 1.00 0.00 N ATOM 270 CA ASP A 22 5.400 -21.429 -5.107 1.00 0.00 C ATOM 271 C ASP A 22 6.555 -20.442 -4.925 1.00 0.00 C ATOM 272 O ASP A 22 7.309 -20.535 -3.958 1.00 0.00 O ATOM 273 CB ASP A 22 5.907 -22.599 -5.953 1.00 0.00 C ATOM 274 CG ASP A 22 4.814 -23.436 -6.620 1.00 0.00 C ATOM 275 OD1 ASP A 22 4.405 -23.049 -7.736 1.00 0.00 O ATOM 276 OD2 ASP A 22 4.412 -24.443 -5.999 1.00 0.00 O ATOM 0 H ASP A 22 4.327 -20.760 -6.778 1.00 0.00 H new ATOM 0 HA ASP A 22 5.049 -21.805 -4.146 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.568 -22.209 -6.727 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.508 -23.252 -5.320 1.00 0.00 H new ATOM 281 N THR A 23 6.658 -19.519 -5.871 1.00 0.00 N ATOM 282 CA THR A 23 7.708 -18.516 -5.827 1.00 0.00 C ATOM 283 C THR A 23 7.154 -17.146 -6.222 1.00 0.00 C ATOM 284 O THR A 23 7.907 -16.260 -6.623 1.00 0.00 O ATOM 285 CB THR A 23 8.853 -18.990 -6.725 1.00 0.00 C ATOM 286 OG1 THR A 23 8.195 -19.584 -7.841 1.00 0.00 O ATOM 287 CG2 THR A 23 9.645 -20.143 -6.104 1.00 0.00 C ATOM 0 H THR A 23 6.031 -19.445 -6.672 1.00 0.00 H new ATOM 0 HA THR A 23 8.097 -18.395 -4.816 1.00 0.00 H new ATOM 0 HB THR A 23 9.524 -18.156 -6.928 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.863 -19.917 -8.475 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.445 -20.441 -6.781 1.00 0.00 H new ATOM 0 HG22 THR A 23 10.074 -19.820 -5.155 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.981 -20.990 -5.932 1.00 0.00 H new ATOM 295 N THR A 24 5.842 -17.015 -6.095 1.00 0.00 N ATOM 296 CA THR A 24 5.178 -15.768 -6.434 1.00 0.00 C ATOM 297 C THR A 24 3.875 -15.626 -5.644 1.00 0.00 C ATOM 298 O THR A 24 3.180 -16.612 -5.404 1.00 0.00 O ATOM 299 CB THR A 24 4.976 -15.736 -7.950 1.00 0.00 C ATOM 300 OG1 THR A 24 4.721 -17.095 -8.295 1.00 0.00 O ATOM 301 CG2 THR A 24 6.263 -15.395 -8.705 1.00 0.00 C ATOM 0 H THR A 24 5.221 -17.752 -5.762 1.00 0.00 H new ATOM 0 HA THR A 24 5.786 -14.908 -6.155 1.00 0.00 H new ATOM 0 HB THR A 24 4.205 -15.006 -8.198 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.576 -17.166 -9.262 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.064 -15.385 -9.777 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.619 -14.413 -8.393 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.024 -16.143 -8.484 1.00 0.00 H new ATOM 309 N THR A 25 3.582 -14.391 -5.264 1.00 0.00 N ATOM 310 CA THR A 25 2.375 -14.107 -4.507 1.00 0.00 C ATOM 311 C THR A 25 1.626 -12.923 -5.122 1.00 0.00 C ATOM 312 O THR A 25 2.239 -12.033 -5.709 1.00 0.00 O ATOM 313 CB THR A 25 2.774 -13.881 -3.047 1.00 0.00 C ATOM 314 OG1 THR A 25 3.003 -15.194 -2.543 1.00 0.00 O ATOM 315 CG2 THR A 25 1.617 -13.352 -2.199 1.00 0.00 C ATOM 0 H THR A 25 4.160 -13.575 -5.466 1.00 0.00 H new ATOM 0 HA THR A 25 1.680 -14.946 -4.543 1.00 0.00 H new ATOM 0 HB THR A 25 3.606 -13.179 -3.003 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.649 -15.261 -1.632 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.954 -13.209 -1.172 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.275 -12.400 -2.604 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.796 -14.069 -2.215 1.00 0.00 H new ATOM 323 N THR A 26 0.311 -12.951 -4.966 1.00 0.00 N ATOM 324 CA THR A 26 -0.529 -11.891 -5.498 1.00 0.00 C ATOM 325 C THR A 26 -1.148 -11.079 -4.360 1.00 0.00 C ATOM 326 O THR A 26 -1.566 -11.639 -3.348 1.00 0.00 O ATOM 327 CB THR A 26 -1.566 -12.530 -6.424 1.00 0.00 C ATOM 328 OG1 THR A 26 -0.786 -13.209 -7.404 1.00 0.00 O ATOM 329 CG2 THR A 26 -2.352 -11.492 -7.227 1.00 0.00 C ATOM 0 H THR A 26 -0.194 -13.691 -4.479 1.00 0.00 H new ATOM 0 HA THR A 26 0.054 -11.179 -6.082 1.00 0.00 H new ATOM 0 HB THR A 26 -2.257 -13.132 -5.834 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.380 -13.653 -8.044 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.074 -11.998 -7.868 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.878 -10.825 -6.544 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.665 -10.912 -7.843 1.00 0.00 H new ATOM 337 N LEU A 27 -1.188 -9.770 -4.563 1.00 0.00 N ATOM 338 CA LEU A 27 -1.750 -8.874 -3.566 1.00 0.00 C ATOM 339 C LEU A 27 -2.735 -7.919 -4.243 1.00 0.00 C ATOM 340 O LEU A 27 -2.586 -7.600 -5.421 1.00 0.00 O ATOM 341 CB LEU A 27 -0.635 -8.164 -2.795 1.00 0.00 C ATOM 342 CG LEU A 27 0.278 -9.062 -1.957 1.00 0.00 C ATOM 343 CD1 LEU A 27 1.680 -8.461 -1.841 1.00 0.00 C ATOM 344 CD2 LEU A 27 -0.340 -9.345 -0.586 1.00 0.00 C ATOM 0 H LEU A 27 -0.840 -9.308 -5.403 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.312 -9.437 -2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.018 -7.617 -3.508 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.090 -7.425 -2.135 1.00 0.00 H new ATOM 0 HG LEU A 27 0.379 -10.019 -2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.309 -9.118 -1.241 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.113 -8.353 -2.835 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.618 -7.483 -1.364 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.329 -9.985 -0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.490 -8.406 -0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.299 -9.846 -0.716 1.00 0.00 H new ATOM 356 N LYS A 28 -3.720 -7.489 -3.467 1.00 0.00 N ATOM 357 CA LYS A 28 -4.729 -6.576 -3.977 1.00 0.00 C ATOM 358 C LYS A 28 -5.163 -5.627 -2.858 1.00 0.00 C ATOM 359 O LYS A 28 -5.662 -6.067 -1.824 1.00 0.00 O ATOM 360 CB LYS A 28 -5.886 -7.354 -4.606 1.00 0.00 C ATOM 361 CG LYS A 28 -6.365 -6.680 -5.893 1.00 0.00 C ATOM 362 CD LYS A 28 -5.572 -7.181 -7.102 1.00 0.00 C ATOM 363 CE LYS A 28 -6.482 -7.919 -8.087 1.00 0.00 C ATOM 364 NZ LYS A 28 -6.171 -7.520 -9.478 1.00 0.00 N ATOM 0 H LYS A 28 -3.840 -7.756 -2.490 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.317 -5.960 -4.777 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.568 -8.374 -4.822 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.712 -7.421 -3.897 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.426 -6.882 -6.040 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.256 -5.599 -5.804 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.095 -6.339 -7.603 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.775 -7.846 -6.769 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.353 -8.995 -7.974 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.526 -7.697 -7.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.797 -8.030 -10.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.316 -6.496 -9.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.181 -7.754 -9.693 1.00 0.00 H new ATOM 378 N TRP A 29 -4.957 -4.341 -3.104 1.00 0.00 N ATOM 379 CA TRP A 29 -5.321 -3.325 -2.131 1.00 0.00 C ATOM 380 C TRP A 29 -6.218 -2.301 -2.828 1.00 0.00 C ATOM 381 O TRP A 29 -6.416 -2.368 -4.041 1.00 0.00 O ATOM 382 CB TRP A 29 -4.075 -2.699 -1.501 1.00 0.00 C ATOM 383 CG TRP A 29 -3.264 -1.827 -2.462 1.00 0.00 C ATOM 384 CD1 TRP A 29 -3.534 -0.581 -2.874 1.00 0.00 C ATOM 385 CD2 TRP A 29 -2.030 -2.189 -3.118 1.00 0.00 C ATOM 386 NE1 TRP A 29 -2.570 -0.115 -3.744 1.00 0.00 N ATOM 387 CE2 TRP A 29 -1.626 -1.124 -3.897 1.00 0.00 C ATOM 388 CE3 TRP A 29 -1.281 -3.377 -3.055 1.00 0.00 C ATOM 389 CZ2 TRP A 29 -0.460 -1.141 -4.672 1.00 0.00 C ATOM 390 CZ3 TRP A 29 -0.119 -3.378 -3.835 1.00 0.00 C ATOM 391 CH2 TRP A 29 0.302 -2.314 -4.625 1.00 0.00 C ATOM 0 H TRP A 29 -4.543 -3.980 -3.963 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.876 -3.765 -1.303 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.377 -2.095 -0.645 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.435 -3.494 -1.119 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -4.398 -0.012 -2.564 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.553 0.801 -4.192 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.579 -4.222 -2.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.164 -0.294 -5.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.494 -4.267 -3.822 1.00 0.00 H new ATOM 0 HH2 TRP A 29 1.213 -2.392 -5.200 1.00 0.00 H new ATOM 402 N ARG A 30 -6.736 -1.377 -2.033 1.00 0.00 N ATOM 403 CA ARG A 30 -7.608 -0.340 -2.559 1.00 0.00 C ATOM 404 C ARG A 30 -6.960 1.035 -2.387 1.00 0.00 C ATOM 405 O ARG A 30 -6.119 1.224 -1.510 1.00 0.00 O ATOM 406 CB ARG A 30 -8.965 -0.350 -1.852 1.00 0.00 C ATOM 407 CG ARG A 30 -9.774 -1.591 -2.235 1.00 0.00 C ATOM 408 CD ARG A 30 -10.939 -1.223 -3.156 1.00 0.00 C ATOM 409 NE ARG A 30 -10.436 -0.920 -4.514 1.00 0.00 N ATOM 410 CZ ARG A 30 -11.223 -0.709 -5.577 1.00 0.00 C ATOM 411 NH1 ARG A 30 -12.556 -0.765 -5.446 1.00 0.00 N ATOM 412 NH2 ARG A 30 -10.679 -0.441 -6.772 1.00 0.00 N ATOM 0 H ARG A 30 -6.569 -1.324 -1.028 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.763 -0.542 -3.619 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.817 -0.327 -0.772 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.523 0.548 -2.116 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.126 -2.313 -2.733 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.156 -2.073 -1.335 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.653 -2.046 -3.199 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.471 -0.360 -2.756 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.426 -0.869 -4.649 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.971 -0.968 -4.537 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -13.155 -0.604 -6.256 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.665 -0.398 -6.873 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.279 -0.280 -7.581 1.00 0.00 H new ATOM 426 N PRO A 31 -7.388 1.985 -3.261 1.00 0.00 N ATOM 427 CA PRO A 31 -6.859 3.338 -3.214 1.00 0.00 C ATOM 428 C PRO A 31 -7.443 4.114 -2.031 1.00 0.00 C ATOM 429 O PRO A 31 -8.504 3.764 -1.517 1.00 0.00 O ATOM 430 CB PRO A 31 -7.218 3.948 -4.559 1.00 0.00 C ATOM 431 CG PRO A 31 -8.332 3.082 -5.125 1.00 0.00 C ATOM 432 CD PRO A 31 -8.383 1.798 -4.313 1.00 0.00 C ATOM 0 HA PRO A 31 -5.781 3.363 -3.055 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.546 4.981 -4.444 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.355 3.960 -5.225 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -9.287 3.605 -5.072 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -8.147 2.862 -6.176 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.376 1.633 -3.894 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.149 0.930 -4.929 1.00 0.00 H new ATOM 440 N PRO A 32 -6.704 5.180 -1.622 1.00 0.00 N ATOM 441 CA PRO A 32 -7.136 6.008 -0.510 1.00 0.00 C ATOM 442 C PRO A 32 -8.291 6.923 -0.923 1.00 0.00 C ATOM 443 O PRO A 32 -8.696 6.931 -2.085 1.00 0.00 O ATOM 444 CB PRO A 32 -5.895 6.775 -0.084 1.00 0.00 C ATOM 445 CG PRO A 32 -4.934 6.698 -1.259 1.00 0.00 C ATOM 446 CD PRO A 32 -5.442 5.624 -2.207 1.00 0.00 C ATOM 0 HA PRO A 32 -7.531 5.423 0.320 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -6.138 7.810 0.154 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -5.453 6.337 0.811 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.876 7.660 -1.768 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.928 6.458 -0.914 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.589 6.020 -3.212 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.732 4.801 -2.289 1.00 0.00 H new ATOM 454 N ASP A 33 -8.789 7.671 0.050 1.00 0.00 N ATOM 455 CA ASP A 33 -9.889 8.587 -0.199 1.00 0.00 C ATOM 456 C ASP A 33 -9.354 10.020 -0.247 1.00 0.00 C ATOM 457 O ASP A 33 -9.911 10.872 -0.937 1.00 0.00 O ATOM 458 CB ASP A 33 -10.933 8.510 0.918 1.00 0.00 C ATOM 459 CG ASP A 33 -12.174 7.679 0.586 1.00 0.00 C ATOM 460 OD1 ASP A 33 -12.958 8.145 -0.269 1.00 0.00 O ATOM 461 OD2 ASP A 33 -12.311 6.596 1.195 1.00 0.00 O ATOM 0 H ASP A 33 -8.451 7.662 1.012 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.351 8.309 -1.146 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.462 8.092 1.807 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.249 9.522 1.170 1.00 0.00 H new ATOM 466 N ARG A 34 -8.278 10.240 0.495 1.00 0.00 N ATOM 467 CA ARG A 34 -7.661 11.555 0.545 1.00 0.00 C ATOM 468 C ARG A 34 -6.324 11.542 -0.199 1.00 0.00 C ATOM 469 O ARG A 34 -5.267 11.419 0.419 1.00 0.00 O ATOM 470 CB ARG A 34 -7.428 11.999 1.990 1.00 0.00 C ATOM 471 CG ARG A 34 -8.455 13.053 2.412 1.00 0.00 C ATOM 472 CD ARG A 34 -9.818 12.413 2.681 1.00 0.00 C ATOM 473 NE ARG A 34 -10.690 12.561 1.494 1.00 0.00 N ATOM 474 CZ ARG A 34 -11.891 11.982 1.367 1.00 0.00 C ATOM 475 NH1 ARG A 34 -12.371 11.211 2.353 1.00 0.00 N ATOM 476 NH2 ARG A 34 -12.613 12.172 0.254 1.00 0.00 N ATOM 0 H ARG A 34 -7.818 9.531 1.066 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.341 12.259 0.066 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.492 11.137 2.654 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.422 12.405 2.092 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.107 13.567 3.308 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.551 13.806 1.630 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.692 11.357 2.921 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.285 12.883 3.547 1.00 0.00 H new ATOM 0 HE ARG A 34 -10.355 13.140 0.724 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -11.822 11.065 3.200 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -13.286 10.770 2.256 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -12.248 12.758 -0.497 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -13.528 11.731 0.158 1.00 0.00 H new ATOM 559 N ASP A 41 1.949 8.664 -6.612 1.00 0.00 N ATOM 560 CA ASP A 41 2.728 8.169 -7.733 1.00 0.00 C ATOM 561 C ASP A 41 2.562 6.651 -7.833 1.00 0.00 C ATOM 562 O ASP A 41 2.673 6.081 -8.917 1.00 0.00 O ATOM 563 CB ASP A 41 4.217 8.470 -7.545 1.00 0.00 C ATOM 564 CG ASP A 41 4.940 8.965 -8.799 1.00 0.00 C ATOM 565 OD1 ASP A 41 4.401 9.898 -9.433 1.00 0.00 O ATOM 566 OD2 ASP A 41 6.014 8.399 -9.095 1.00 0.00 O ATOM 0 HA ASP A 41 2.371 8.664 -8.636 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.324 9.221 -6.762 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.713 7.566 -7.191 1.00 0.00 H new ATOM 571 N GLY A 42 2.300 6.040 -6.687 1.00 0.00 N ATOM 572 CA GLY A 42 2.117 4.599 -6.631 1.00 0.00 C ATOM 573 C GLY A 42 2.285 4.080 -5.202 1.00 0.00 C ATOM 574 O GLY A 42 2.125 4.832 -4.242 1.00 0.00 O ATOM 0 H GLY A 42 2.210 6.516 -5.790 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.125 4.340 -7.001 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.839 4.111 -7.286 1.00 0.00 H new ATOM 578 N TYR A 43 2.606 2.798 -5.106 1.00 0.00 N ATOM 579 CA TYR A 43 2.798 2.169 -3.810 1.00 0.00 C ATOM 580 C TYR A 43 4.001 1.224 -3.832 1.00 0.00 C ATOM 581 O TYR A 43 4.246 0.549 -4.830 1.00 0.00 O ATOM 582 CB TYR A 43 1.529 1.356 -3.545 1.00 0.00 C ATOM 583 CG TYR A 43 0.458 2.112 -2.756 1.00 0.00 C ATOM 584 CD1 TYR A 43 0.556 2.215 -1.383 1.00 0.00 C ATOM 585 CD2 TYR A 43 -0.606 2.691 -3.417 1.00 0.00 C ATOM 586 CE1 TYR A 43 -0.452 2.926 -0.641 1.00 0.00 C ATOM 587 CE2 TYR A 43 -1.614 3.402 -2.675 1.00 0.00 C ATOM 588 CZ TYR A 43 -1.487 3.485 -1.323 1.00 0.00 C ATOM 589 OH TYR A 43 -2.439 4.157 -0.622 1.00 0.00 O ATOM 0 H TYR A 43 2.738 2.178 -5.905 1.00 0.00 H new ATOM 0 HA TYR A 43 2.982 2.920 -3.042 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.107 1.039 -4.499 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.797 0.451 -2.999 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.389 1.762 -0.866 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.682 2.611 -4.491 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.388 3.013 0.434 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.452 3.859 -3.180 1.00 0.00 H new ATOM 0 HH TYR A 43 -2.038 4.549 0.182 1.00 0.00 H new ATOM 599 N LEU A 44 4.718 1.206 -2.718 1.00 0.00 N ATOM 600 CA LEU A 44 5.890 0.355 -2.597 1.00 0.00 C ATOM 601 C LEU A 44 5.499 -0.945 -1.892 1.00 0.00 C ATOM 602 O LEU A 44 4.599 -0.955 -1.053 1.00 0.00 O ATOM 603 CB LEU A 44 7.030 1.108 -1.909 1.00 0.00 C ATOM 604 CG LEU A 44 8.070 1.741 -2.836 1.00 0.00 C ATOM 605 CD1 LEU A 44 9.209 2.372 -2.032 1.00 0.00 C ATOM 606 CD2 LEU A 44 8.584 0.726 -3.858 1.00 0.00 C ATOM 0 H LEU A 44 4.510 1.767 -1.892 1.00 0.00 H new ATOM 0 HA LEU A 44 6.267 0.083 -3.583 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.598 1.894 -1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.542 0.418 -1.238 1.00 0.00 H new ATOM 0 HG LEU A 44 7.587 2.543 -3.394 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.934 2.815 -2.715 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.807 3.146 -1.378 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.698 1.606 -1.430 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.322 1.202 -4.504 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.045 -0.113 -3.337 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.752 0.365 -4.462 1.00 0.00 H new ATOM 618 N VAL A 45 6.195 -2.012 -2.258 1.00 0.00 N ATOM 619 CA VAL A 45 5.932 -3.315 -1.671 1.00 0.00 C ATOM 620 C VAL A 45 7.239 -3.900 -1.132 1.00 0.00 C ATOM 621 O VAL A 45 8.265 -3.862 -1.809 1.00 0.00 O ATOM 622 CB VAL A 45 5.248 -4.222 -2.696 1.00 0.00 C ATOM 623 CG1 VAL A 45 4.781 -5.527 -2.048 1.00 0.00 C ATOM 624 CG2 VAL A 45 4.083 -3.500 -3.377 1.00 0.00 C ATOM 0 H VAL A 45 6.941 -2.000 -2.954 1.00 0.00 H new ATOM 0 HA VAL A 45 5.246 -3.223 -0.829 1.00 0.00 H new ATOM 0 HB VAL A 45 5.981 -4.472 -3.463 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.298 -6.153 -2.798 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.640 -6.055 -1.633 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.072 -5.304 -1.251 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.615 -4.167 -4.101 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.349 -3.205 -2.627 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.454 -2.612 -3.889 1.00 0.00 H new ATOM 634 N GLU A 46 7.158 -4.427 0.081 1.00 0.00 N ATOM 635 CA GLU A 46 8.322 -5.019 0.718 1.00 0.00 C ATOM 636 C GLU A 46 7.893 -6.131 1.677 1.00 0.00 C ATOM 637 O GLU A 46 6.874 -6.012 2.356 1.00 0.00 O ATOM 638 CB GLU A 46 9.149 -3.957 1.445 1.00 0.00 C ATOM 639 CG GLU A 46 9.240 -2.672 0.618 1.00 0.00 C ATOM 640 CD GLU A 46 10.060 -1.607 1.349 1.00 0.00 C ATOM 641 OE1 GLU A 46 11.105 -1.987 1.918 1.00 0.00 O ATOM 642 OE2 GLU A 46 9.622 -0.437 1.321 1.00 0.00 O ATOM 0 H GLU A 46 6.305 -4.456 0.639 1.00 0.00 H new ATOM 0 HA GLU A 46 8.953 -5.456 -0.056 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.698 -3.739 2.413 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.151 -4.341 1.639 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.697 -2.888 -0.348 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.238 -2.292 0.419 1.00 0.00 H new ATOM 649 N TYR A 47 8.693 -7.187 1.704 1.00 0.00 N ATOM 650 CA TYR A 47 8.409 -8.320 2.569 1.00 0.00 C ATOM 651 C TYR A 47 9.536 -8.532 3.582 1.00 0.00 C ATOM 652 O TYR A 47 10.705 -8.307 3.272 1.00 0.00 O ATOM 653 CB TYR A 47 8.328 -9.541 1.651 1.00 0.00 C ATOM 654 CG TYR A 47 9.608 -9.810 0.857 1.00 0.00 C ATOM 655 CD1 TYR A 47 9.885 -9.071 -0.276 1.00 0.00 C ATOM 656 CD2 TYR A 47 10.486 -10.789 1.273 1.00 0.00 C ATOM 657 CE1 TYR A 47 11.089 -9.324 -1.023 1.00 0.00 C ATOM 658 CE2 TYR A 47 11.691 -11.042 0.526 1.00 0.00 C ATOM 659 CZ TYR A 47 11.933 -10.297 -0.586 1.00 0.00 C ATOM 660 OH TYR A 47 13.071 -10.535 -1.291 1.00 0.00 O ATOM 0 H TYR A 47 9.538 -7.282 1.141 1.00 0.00 H new ATOM 0 HA TYR A 47 7.488 -8.155 3.128 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.094 -10.420 2.252 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.502 -9.404 0.953 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.199 -8.303 -0.602 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.270 -11.366 2.160 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.317 -8.754 -1.911 1.00 0.00 H new ATOM 0 HE2 TYR A 47 12.386 -11.806 0.841 1.00 0.00 H new ATOM 0 HH TYR A 47 13.577 -11.256 -0.861 1.00 0.00 H new ATOM 670 N CYS A 48 9.145 -8.963 4.772 1.00 0.00 N ATOM 671 CA CYS A 48 10.108 -9.208 5.833 1.00 0.00 C ATOM 672 C CYS A 48 9.960 -10.660 6.289 1.00 0.00 C ATOM 673 O CYS A 48 8.909 -11.052 6.794 1.00 0.00 O ATOM 674 CB CYS A 48 9.934 -8.224 6.992 1.00 0.00 C ATOM 675 SG CYS A 48 10.859 -8.815 8.457 1.00 0.00 S ATOM 0 H CYS A 48 8.175 -9.149 5.025 1.00 0.00 H new ATOM 0 HA CYS A 48 11.118 -9.048 5.456 1.00 0.00 H new ATOM 0 HB2 CYS A 48 10.292 -7.237 6.699 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.877 -8.120 7.236 1.00 0.00 H new ATOM 0 HG CYS A 48 10.806 -7.917 9.395 1.00 0.00 H new ATOM 681 N LEU A 49 11.029 -11.419 6.096 1.00 0.00 N ATOM 682 CA LEU A 49 11.031 -12.820 6.481 1.00 0.00 C ATOM 683 C LEU A 49 10.897 -12.926 8.002 1.00 0.00 C ATOM 684 O LEU A 49 11.529 -12.171 8.739 1.00 0.00 O ATOM 685 CB LEU A 49 12.267 -13.528 5.922 1.00 0.00 C ATOM 686 CG LEU A 49 12.305 -13.711 4.404 1.00 0.00 C ATOM 687 CD1 LEU A 49 13.644 -13.245 3.829 1.00 0.00 C ATOM 688 CD2 LEU A 49 11.989 -15.158 4.018 1.00 0.00 C ATOM 0 H LEU A 49 11.899 -11.090 5.678 1.00 0.00 H new ATOM 0 HA LEU A 49 10.174 -13.335 6.048 1.00 0.00 H new ATOM 0 HB2 LEU A 49 13.151 -12.965 6.223 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.341 -14.510 6.389 1.00 0.00 H new ATOM 0 HG LEU A 49 11.529 -13.083 3.965 1.00 0.00 H new ATOM 0 HD11 LEU A 49 13.645 -13.386 2.748 1.00 0.00 H new ATOM 0 HD12 LEU A 49 13.790 -12.189 4.057 1.00 0.00 H new ATOM 0 HD13 LEU A 49 14.452 -13.827 4.271 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.023 -15.261 2.933 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.725 -15.824 4.469 1.00 0.00 H new ATOM 0 HD23 LEU A 49 10.994 -15.421 4.377 1.00 0.00 H new ATOM 700 N GLU A 50 10.069 -13.870 8.426 1.00 0.00 N ATOM 701 CA GLU A 50 9.843 -14.084 9.846 1.00 0.00 C ATOM 702 C GLU A 50 11.179 -14.187 10.586 1.00 0.00 C ATOM 703 O GLU A 50 11.976 -15.084 10.314 1.00 0.00 O ATOM 704 CB GLU A 50 8.988 -15.331 10.083 1.00 0.00 C ATOM 705 CG GLU A 50 8.127 -15.174 11.337 1.00 0.00 C ATOM 706 CD GLU A 50 6.932 -14.255 11.071 1.00 0.00 C ATOM 707 OE1 GLU A 50 7.139 -13.024 11.135 1.00 0.00 O ATOM 708 OE2 GLU A 50 5.841 -14.804 10.809 1.00 0.00 O ATOM 0 H GLU A 50 9.547 -14.495 7.812 1.00 0.00 H new ATOM 0 HA GLU A 50 9.296 -13.228 10.240 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.349 -15.508 9.218 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.632 -16.204 10.187 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.773 -16.152 11.664 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.730 -14.766 12.148 1.00 0.00 H new ATOM 715 N GLY A 51 11.382 -13.255 11.505 1.00 0.00 N ATOM 716 CA GLY A 51 12.607 -13.230 12.286 1.00 0.00 C ATOM 717 C GLY A 51 13.516 -12.081 11.843 1.00 0.00 C ATOM 718 O GLY A 51 14.337 -11.599 12.622 1.00 0.00 O ATOM 0 H GLY A 51 10.719 -12.512 11.726 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.366 -13.121 13.343 1.00 0.00 H new ATOM 0 HA3 GLY A 51 13.133 -14.178 12.175 1.00 0.00 H new ATOM 722 N SER A 52 13.338 -11.677 10.594 1.00 0.00 N ATOM 723 CA SER A 52 14.132 -10.594 10.038 1.00 0.00 C ATOM 724 C SER A 52 13.557 -9.245 10.476 1.00 0.00 C ATOM 725 O SER A 52 12.371 -9.143 10.785 1.00 0.00 O ATOM 726 CB SER A 52 14.185 -10.678 8.511 1.00 0.00 C ATOM 727 OG SER A 52 14.706 -9.486 7.929 1.00 0.00 O ATOM 0 H SER A 52 12.656 -12.080 9.951 1.00 0.00 H new ATOM 0 HA SER A 52 15.150 -10.687 10.416 1.00 0.00 H new ATOM 0 HB2 SER A 52 14.803 -11.526 8.216 1.00 0.00 H new ATOM 0 HB3 SER A 52 13.183 -10.863 8.123 1.00 0.00 H new ATOM 0 HG SER A 52 14.725 -9.580 6.954 1.00 0.00 H new ATOM 733 N GLU A 53 14.425 -8.244 10.488 1.00 0.00 N ATOM 734 CA GLU A 53 14.018 -6.906 10.883 1.00 0.00 C ATOM 735 C GLU A 53 14.220 -5.927 9.725 1.00 0.00 C ATOM 736 O GLU A 53 14.147 -4.714 9.914 1.00 0.00 O ATOM 737 CB GLU A 53 14.778 -6.447 12.129 1.00 0.00 C ATOM 738 CG GLU A 53 13.812 -5.978 13.219 1.00 0.00 C ATOM 739 CD GLU A 53 14.499 -5.004 14.178 1.00 0.00 C ATOM 740 OE1 GLU A 53 15.214 -4.114 13.668 1.00 0.00 O ATOM 741 OE2 GLU A 53 14.294 -5.171 15.400 1.00 0.00 O ATOM 0 H GLU A 53 15.408 -8.333 10.231 1.00 0.00 H new ATOM 0 HA GLU A 53 12.957 -6.928 11.133 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.390 -7.265 12.508 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.457 -5.636 11.867 1.00 0.00 H new ATOM 0 HG2 GLU A 53 12.948 -5.495 12.761 1.00 0.00 H new ATOM 0 HG3 GLU A 53 13.439 -6.839 13.774 1.00 0.00 H new ATOM 748 N GLU A 54 14.471 -6.490 8.552 1.00 0.00 N ATOM 749 CA GLU A 54 14.685 -5.682 7.364 1.00 0.00 C ATOM 750 C GLU A 54 13.689 -6.073 6.270 1.00 0.00 C ATOM 751 O GLU A 54 13.620 -7.236 5.876 1.00 0.00 O ATOM 752 CB GLU A 54 16.126 -5.809 6.866 1.00 0.00 C ATOM 753 CG GLU A 54 16.332 -5.013 5.576 1.00 0.00 C ATOM 754 CD GLU A 54 17.496 -4.030 5.719 1.00 0.00 C ATOM 755 OE1 GLU A 54 18.645 -4.479 5.522 1.00 0.00 O ATOM 756 OE2 GLU A 54 17.209 -2.851 6.023 1.00 0.00 O ATOM 0 H GLU A 54 14.531 -7.497 8.399 1.00 0.00 H new ATOM 0 HA GLU A 54 14.517 -4.637 7.624 1.00 0.00 H new ATOM 0 HB2 GLU A 54 16.813 -5.450 7.633 1.00 0.00 H new ATOM 0 HB3 GLU A 54 16.363 -6.859 6.692 1.00 0.00 H new ATOM 0 HG2 GLU A 54 16.528 -5.697 4.750 1.00 0.00 H new ATOM 0 HG3 GLU A 54 15.420 -4.469 5.330 1.00 0.00 H new ATOM 763 N TRP A 55 12.943 -5.079 5.811 1.00 0.00 N ATOM 764 CA TRP A 55 11.955 -5.305 4.770 1.00 0.00 C ATOM 765 C TRP A 55 12.653 -5.165 3.416 1.00 0.00 C ATOM 766 O TRP A 55 13.203 -4.110 3.103 1.00 0.00 O ATOM 767 CB TRP A 55 10.764 -4.357 4.929 1.00 0.00 C ATOM 768 CG TRP A 55 9.879 -4.667 6.138 1.00 0.00 C ATOM 769 CD1 TRP A 55 10.008 -4.215 7.393 1.00 0.00 C ATOM 770 CD2 TRP A 55 8.716 -5.521 6.155 1.00 0.00 C ATOM 771 NE1 TRP A 55 9.017 -4.713 8.214 1.00 0.00 N ATOM 772 CE2 TRP A 55 8.206 -5.532 7.437 1.00 0.00 C ATOM 773 CE3 TRP A 55 8.113 -6.259 5.121 1.00 0.00 C ATOM 774 CZ2 TRP A 55 7.072 -6.265 7.805 1.00 0.00 C ATOM 775 CZ3 TRP A 55 6.980 -6.986 5.504 1.00 0.00 C ATOM 776 CH2 TRP A 55 6.455 -7.008 6.791 1.00 0.00 C ATOM 0 H TRP A 55 13.003 -4.116 6.141 1.00 0.00 H new ATOM 0 HA TRP A 55 11.540 -6.310 4.845 1.00 0.00 H new ATOM 0 HB2 TRP A 55 11.135 -3.336 5.015 1.00 0.00 H new ATOM 0 HB3 TRP A 55 10.155 -4.400 4.026 1.00 0.00 H new ATOM 0 HD1 TRP A 55 10.789 -3.545 7.721 1.00 0.00 H new ATOM 0 HE1 TRP A 55 8.901 -4.516 9.208 1.00 0.00 H new ATOM 0 HE3 TRP A 55 8.494 -6.264 4.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 6.693 -6.258 8.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 6.479 -7.571 4.747 1.00 0.00 H new ATOM 0 HH2 TRP A 55 5.575 -7.596 7.008 1.00 0.00 H new ATOM 787 N VAL A 56 12.609 -6.244 2.649 1.00 0.00 N ATOM 788 CA VAL A 56 13.231 -6.254 1.336 1.00 0.00 C ATOM 789 C VAL A 56 12.260 -5.664 0.311 1.00 0.00 C ATOM 790 O VAL A 56 11.055 -5.900 0.385 1.00 0.00 O ATOM 791 CB VAL A 56 13.683 -7.673 0.982 1.00 0.00 C ATOM 792 CG1 VAL A 56 14.255 -7.729 -0.436 1.00 0.00 C ATOM 793 CG2 VAL A 56 14.695 -8.196 2.003 1.00 0.00 C ATOM 0 H VAL A 56 12.152 -7.117 2.911 1.00 0.00 H new ATOM 0 HA VAL A 56 14.125 -5.631 1.333 1.00 0.00 H new ATOM 0 HB VAL A 56 12.808 -8.322 1.015 1.00 0.00 H new ATOM 0 HG11 VAL A 56 14.568 -8.748 -0.662 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.491 -7.418 -1.149 1.00 0.00 H new ATOM 0 HG13 VAL A 56 15.113 -7.061 -0.509 1.00 0.00 H new ATOM 0 HG21 VAL A 56 15.000 -9.206 1.729 1.00 0.00 H new ATOM 0 HG22 VAL A 56 15.568 -7.544 2.016 1.00 0.00 H new ATOM 0 HG23 VAL A 56 14.239 -8.211 2.993 1.00 0.00 H new ATOM 803 N PRO A 57 12.836 -4.887 -0.645 1.00 0.00 N ATOM 804 CA PRO A 57 12.035 -4.260 -1.683 1.00 0.00 C ATOM 805 C PRO A 57 11.596 -5.285 -2.731 1.00 0.00 C ATOM 806 O PRO A 57 12.432 -5.948 -3.344 1.00 0.00 O ATOM 807 CB PRO A 57 12.920 -3.166 -2.256 1.00 0.00 C ATOM 808 CG PRO A 57 14.340 -3.519 -1.843 1.00 0.00 C ATOM 809 CD PRO A 57 14.259 -4.585 -0.763 1.00 0.00 C ATOM 0 HA PRO A 57 11.104 -3.841 -1.301 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.829 -3.119 -3.341 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.632 -2.188 -1.869 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.907 -3.885 -2.699 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.860 -2.636 -1.470 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.830 -5.472 -1.038 1.00 0.00 H new ATOM 0 HD3 PRO A 57 14.667 -4.224 0.181 1.00 0.00 H new ATOM 817 N ALA A 58 10.287 -5.383 -2.904 1.00 0.00 N ATOM 818 CA ALA A 58 9.727 -6.316 -3.867 1.00 0.00 C ATOM 819 C ALA A 58 9.732 -5.674 -5.256 1.00 0.00 C ATOM 820 O ALA A 58 10.065 -6.325 -6.244 1.00 0.00 O ATOM 821 CB ALA A 58 8.323 -6.730 -3.421 1.00 0.00 C ATOM 0 H ALA A 58 9.597 -4.832 -2.394 1.00 0.00 H new ATOM 0 HA ALA A 58 10.332 -7.221 -3.920 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.903 -7.430 -4.144 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.378 -7.208 -2.443 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.686 -5.848 -3.358 1.00 0.00 H new ATOM 827 N ASN A 59 9.359 -4.403 -5.285 1.00 0.00 N ATOM 828 CA ASN A 59 9.316 -3.664 -6.536 1.00 0.00 C ATOM 829 C ASN A 59 10.241 -2.450 -6.438 1.00 0.00 C ATOM 830 O ASN A 59 9.969 -1.517 -5.684 1.00 0.00 O ATOM 831 CB ASN A 59 7.902 -3.159 -6.829 1.00 0.00 C ATOM 832 CG ASN A 59 7.338 -2.383 -5.637 1.00 0.00 C ATOM 833 OD1 ASN A 59 7.828 -2.465 -4.523 1.00 0.00 O ATOM 834 ND2 ASN A 59 6.284 -1.628 -5.932 1.00 0.00 N ATOM 0 H ASN A 59 9.084 -3.866 -4.463 1.00 0.00 H new ATOM 0 HA ASN A 59 9.632 -4.335 -7.335 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.916 -2.518 -7.711 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.251 -4.003 -7.059 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.835 -1.072 -5.204 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.924 -1.605 -6.886 1.00 0.00 H new ATOM 841 N LYS A 60 11.315 -2.501 -7.212 1.00 0.00 N ATOM 842 CA LYS A 60 12.282 -1.416 -7.222 1.00 0.00 C ATOM 843 C LYS A 60 11.544 -0.081 -7.342 1.00 0.00 C ATOM 844 O LYS A 60 11.990 0.929 -6.802 1.00 0.00 O ATOM 845 CB LYS A 60 13.328 -1.641 -8.316 1.00 0.00 C ATOM 846 CG LYS A 60 14.567 -2.341 -7.754 1.00 0.00 C ATOM 847 CD LYS A 60 15.551 -2.694 -8.871 1.00 0.00 C ATOM 848 CE LYS A 60 16.418 -1.489 -9.239 1.00 0.00 C ATOM 849 NZ LYS A 60 16.864 -1.582 -10.648 1.00 0.00 N ATOM 0 H LYS A 60 11.537 -3.276 -7.837 1.00 0.00 H new ATOM 0 HA LYS A 60 12.836 -1.391 -6.283 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.898 -2.242 -9.117 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.613 -0.684 -8.754 1.00 0.00 H new ATOM 0 HG2 LYS A 60 15.055 -1.694 -7.025 1.00 0.00 H new ATOM 0 HG3 LYS A 60 14.269 -3.247 -7.227 1.00 0.00 H new ATOM 0 HD2 LYS A 60 16.187 -3.520 -8.553 1.00 0.00 H new ATOM 0 HD3 LYS A 60 15.003 -3.034 -9.750 1.00 0.00 H new ATOM 0 HE2 LYS A 60 15.854 -0.568 -9.090 1.00 0.00 H new ATOM 0 HE3 LYS A 60 17.285 -1.442 -8.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 17.451 -0.756 -10.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 17.420 -2.451 -10.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 16.034 -1.604 -11.274 1.00 0.00 H new ATOM 863 N GLU A 61 10.427 -0.121 -8.055 1.00 0.00 N ATOM 864 CA GLU A 61 9.623 1.072 -8.253 1.00 0.00 C ATOM 865 C GLU A 61 8.176 0.814 -7.829 1.00 0.00 C ATOM 866 O GLU A 61 7.730 -0.332 -7.798 1.00 0.00 O ATOM 867 CB GLU A 61 9.692 1.545 -9.706 1.00 0.00 C ATOM 868 CG GLU A 61 11.140 1.598 -10.197 1.00 0.00 C ATOM 869 CD GLU A 61 11.617 3.044 -10.346 1.00 0.00 C ATOM 870 OE1 GLU A 61 10.863 3.829 -10.960 1.00 0.00 O ATOM 871 OE2 GLU A 61 12.724 3.331 -9.842 1.00 0.00 O ATOM 0 H GLU A 61 10.061 -0.961 -8.502 1.00 0.00 H new ATOM 0 HA GLU A 61 10.028 1.867 -7.627 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.114 0.872 -10.339 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.238 2.532 -9.793 1.00 0.00 H new ATOM 0 HG2 GLU A 61 11.785 1.069 -9.495 1.00 0.00 H new ATOM 0 HG3 GLU A 61 11.222 1.084 -11.155 1.00 0.00 H new ATOM 878 N PRO A 62 7.465 1.926 -7.503 1.00 0.00 N ATOM 879 CA PRO A 62 6.077 1.831 -7.082 1.00 0.00 C ATOM 880 C PRO A 62 5.160 1.552 -8.274 1.00 0.00 C ATOM 881 O PRO A 62 5.418 2.018 -9.383 1.00 0.00 O ATOM 882 CB PRO A 62 5.781 3.158 -6.403 1.00 0.00 C ATOM 883 CG PRO A 62 6.859 4.119 -6.876 1.00 0.00 C ATOM 884 CD PRO A 62 7.961 3.299 -7.527 1.00 0.00 C ATOM 0 HA PRO A 62 5.901 1.000 -6.399 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.789 3.521 -6.672 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.799 3.054 -5.318 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.447 4.836 -7.586 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.254 4.692 -6.037 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.153 3.633 -8.547 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.899 3.391 -6.979 1.00 0.00 H new ATOM 892 N VAL A 63 4.108 0.792 -8.006 1.00 0.00 N ATOM 893 CA VAL A 63 3.152 0.445 -9.043 1.00 0.00 C ATOM 894 C VAL A 63 1.999 1.450 -9.024 1.00 0.00 C ATOM 895 O VAL A 63 1.717 2.058 -7.993 1.00 0.00 O ATOM 896 CB VAL A 63 2.687 -1.002 -8.863 1.00 0.00 C ATOM 897 CG1 VAL A 63 3.880 -1.944 -8.693 1.00 0.00 C ATOM 898 CG2 VAL A 63 1.719 -1.124 -7.684 1.00 0.00 C ATOM 0 H VAL A 63 3.897 0.407 -7.085 1.00 0.00 H new ATOM 0 HA VAL A 63 3.618 0.503 -10.027 1.00 0.00 H new ATOM 0 HB VAL A 63 2.153 -1.297 -9.766 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.522 -2.966 -8.567 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.516 -1.889 -9.577 1.00 0.00 H new ATOM 0 HG13 VAL A 63 4.454 -1.650 -7.814 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.404 -2.162 -7.578 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.217 -0.801 -6.770 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.846 -0.496 -7.863 1.00 0.00 H new ATOM 908 N GLU A 64 1.362 1.594 -10.177 1.00 0.00 N ATOM 909 CA GLU A 64 0.246 2.515 -10.306 1.00 0.00 C ATOM 910 C GLU A 64 -1.056 1.834 -9.881 1.00 0.00 C ATOM 911 O GLU A 64 -1.939 2.474 -9.313 1.00 0.00 O ATOM 912 CB GLU A 64 0.142 3.054 -11.735 1.00 0.00 C ATOM 913 CG GLU A 64 0.011 1.911 -12.743 1.00 0.00 C ATOM 914 CD GLU A 64 -0.542 2.417 -14.077 1.00 0.00 C ATOM 915 OE1 GLU A 64 0.247 3.041 -14.819 1.00 0.00 O ATOM 916 OE2 GLU A 64 -1.742 2.169 -14.325 1.00 0.00 O ATOM 0 H GLU A 64 1.598 1.088 -11.031 1.00 0.00 H new ATOM 0 HA GLU A 64 0.422 3.363 -9.645 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.720 3.716 -11.816 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.024 3.650 -11.968 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.985 1.448 -12.901 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.647 1.141 -12.341 1.00 0.00 H new ATOM 923 N ARG A 65 -1.135 0.544 -10.173 1.00 0.00 N ATOM 924 CA ARG A 65 -2.314 -0.232 -9.828 1.00 0.00 C ATOM 925 C ARG A 65 -2.333 -0.530 -8.327 1.00 0.00 C ATOM 926 O ARG A 65 -1.346 -0.295 -7.632 1.00 0.00 O ATOM 927 CB ARG A 65 -2.354 -1.550 -10.604 1.00 0.00 C ATOM 928 CG ARG A 65 -1.186 -2.455 -10.206 1.00 0.00 C ATOM 929 CD ARG A 65 -1.333 -3.844 -10.830 1.00 0.00 C ATOM 930 NE ARG A 65 -0.124 -4.175 -11.618 1.00 0.00 N ATOM 931 CZ ARG A 65 -0.004 -5.266 -12.387 1.00 0.00 C ATOM 932 NH1 ARG A 65 -1.017 -6.138 -12.475 1.00 0.00 N ATOM 933 NH2 ARG A 65 1.130 -5.484 -13.067 1.00 0.00 N ATOM 0 H ARG A 65 -0.401 0.016 -10.645 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.190 0.359 -10.096 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.297 -2.061 -10.411 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.314 -1.348 -11.674 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.247 -2.005 -10.528 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.142 -2.543 -9.120 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.483 -4.589 -10.049 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.214 -3.872 -11.471 1.00 0.00 H new ATOM 0 HE ARG A 65 0.667 -3.533 -11.573 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.880 -5.972 -11.957 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.926 -6.968 -13.060 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.901 -4.820 -12.999 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.222 -6.314 -13.652 1.00 0.00 H new ATOM 947 N CYS A 66 -3.466 -1.044 -7.873 1.00 0.00 N ATOM 948 CA CYS A 66 -3.626 -1.378 -6.467 1.00 0.00 C ATOM 949 C CYS A 66 -3.353 -2.873 -6.294 1.00 0.00 C ATOM 950 O CYS A 66 -4.239 -3.628 -5.896 1.00 0.00 O ATOM 951 CB CYS A 66 -5.011 -0.987 -5.947 1.00 0.00 C ATOM 952 SG CYS A 66 -5.527 0.609 -6.680 1.00 0.00 S ATOM 0 H CYS A 66 -4.282 -1.238 -8.453 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.912 -0.808 -5.872 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.735 -1.763 -6.197 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.992 -0.908 -4.860 1.00 0.00 H new ATOM 0 HG CYS A 66 -6.822 0.640 -6.785 1.00 0.00 H new ATOM 958 N GLY A 67 -2.123 -3.257 -6.602 1.00 0.00 N ATOM 959 CA GLY A 67 -1.722 -4.649 -6.486 1.00 0.00 C ATOM 960 C GLY A 67 -0.342 -4.875 -7.106 1.00 0.00 C ATOM 961 O GLY A 67 0.188 -3.999 -7.788 1.00 0.00 O ATOM 0 H GLY A 67 -1.391 -2.628 -6.932 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.705 -4.940 -5.436 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.456 -5.285 -6.981 1.00 0.00 H new ATOM 965 N PHE A 68 0.201 -6.056 -6.847 1.00 0.00 N ATOM 966 CA PHE A 68 1.510 -6.409 -7.371 1.00 0.00 C ATOM 967 C PHE A 68 1.818 -7.887 -7.126 1.00 0.00 C ATOM 968 O PHE A 68 1.058 -8.580 -6.452 1.00 0.00 O ATOM 969 CB PHE A 68 2.536 -5.555 -6.624 1.00 0.00 C ATOM 970 CG PHE A 68 3.970 -5.718 -7.134 1.00 0.00 C ATOM 971 CD1 PHE A 68 4.343 -5.145 -8.309 1.00 0.00 C ATOM 972 CD2 PHE A 68 4.871 -6.435 -6.411 1.00 0.00 C ATOM 973 CE1 PHE A 68 5.673 -5.296 -8.782 1.00 0.00 C ATOM 974 CE2 PHE A 68 6.201 -6.586 -6.884 1.00 0.00 C ATOM 975 CZ PHE A 68 6.574 -6.014 -8.059 1.00 0.00 C ATOM 0 H PHE A 68 -0.242 -6.780 -6.281 1.00 0.00 H new ATOM 0 HA PHE A 68 1.540 -6.233 -8.446 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.249 -4.507 -6.705 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.506 -5.812 -5.565 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.627 -4.575 -8.883 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.575 -6.890 -5.477 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.969 -4.841 -9.716 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.917 -7.156 -6.310 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.586 -6.130 -8.419 1.00 0.00 H new ATOM 985 N THR A 69 2.935 -8.327 -7.687 1.00 0.00 N ATOM 986 CA THR A 69 3.353 -9.710 -7.537 1.00 0.00 C ATOM 987 C THR A 69 4.773 -9.780 -6.970 1.00 0.00 C ATOM 988 O THR A 69 5.709 -9.245 -7.562 1.00 0.00 O ATOM 989 CB THR A 69 3.208 -10.398 -8.896 1.00 0.00 C ATOM 990 OG1 THR A 69 1.825 -10.733 -8.970 1.00 0.00 O ATOM 991 CG2 THR A 69 3.922 -11.750 -8.948 1.00 0.00 C ATOM 0 H THR A 69 3.563 -7.750 -8.246 1.00 0.00 H new ATOM 0 HA THR A 69 2.724 -10.237 -6.820 1.00 0.00 H new ATOM 0 HB THR A 69 3.605 -9.748 -9.675 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.642 -11.182 -9.822 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.787 -12.195 -9.934 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.986 -11.607 -8.756 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.503 -12.412 -8.191 1.00 0.00 H new ATOM 999 N VAL A 70 4.888 -10.444 -5.829 1.00 0.00 N ATOM 1000 CA VAL A 70 6.177 -10.591 -5.175 1.00 0.00 C ATOM 1001 C VAL A 70 6.798 -11.930 -5.577 1.00 0.00 C ATOM 1002 O VAL A 70 6.261 -12.989 -5.257 1.00 0.00 O ATOM 1003 CB VAL A 70 6.016 -10.437 -3.661 1.00 0.00 C ATOM 1004 CG1 VAL A 70 7.370 -10.533 -2.954 1.00 0.00 C ATOM 1005 CG2 VAL A 70 5.309 -9.125 -3.316 1.00 0.00 C ATOM 0 H VAL A 70 4.109 -10.886 -5.341 1.00 0.00 H new ATOM 0 HA VAL A 70 6.861 -9.806 -5.497 1.00 0.00 H new ATOM 0 HB VAL A 70 5.393 -11.257 -3.304 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.228 -10.420 -1.879 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.820 -11.504 -3.161 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.027 -9.743 -3.318 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.207 -9.040 -2.234 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.895 -8.286 -3.692 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.321 -9.113 -3.776 1.00 0.00 H new ATOM 1015 N LYS A 71 7.922 -11.839 -6.273 1.00 0.00 N ATOM 1016 CA LYS A 71 8.623 -13.030 -6.722 1.00 0.00 C ATOM 1017 C LYS A 71 9.858 -13.251 -5.846 1.00 0.00 C ATOM 1018 O LYS A 71 10.188 -12.412 -5.009 1.00 0.00 O ATOM 1019 CB LYS A 71 8.937 -12.935 -8.216 1.00 0.00 C ATOM 1020 CG LYS A 71 9.954 -11.826 -8.493 1.00 0.00 C ATOM 1021 CD LYS A 71 9.698 -11.174 -9.853 1.00 0.00 C ATOM 1022 CE LYS A 71 8.403 -10.359 -9.835 1.00 0.00 C ATOM 1023 NZ LYS A 71 8.498 -9.215 -10.769 1.00 0.00 N ATOM 0 H LYS A 71 8.365 -10.959 -6.537 1.00 0.00 H new ATOM 0 HA LYS A 71 7.990 -13.910 -6.608 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.328 -13.889 -8.570 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.020 -12.740 -8.772 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.898 -11.072 -7.708 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.963 -12.238 -8.467 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.536 -10.527 -10.114 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.637 -11.943 -10.623 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.562 -10.995 -10.113 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.208 -9.997 -8.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.611 -8.672 -10.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.288 -8.600 -10.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.662 -9.567 -11.734 1.00 0.00 H new ATOM 1037 N ASP A 72 10.507 -14.384 -6.069 1.00 0.00 N ATOM 1038 CA ASP A 72 11.699 -14.726 -5.311 1.00 0.00 C ATOM 1039 C ASP A 72 11.335 -14.859 -3.831 1.00 0.00 C ATOM 1040 O ASP A 72 11.582 -13.948 -3.043 1.00 0.00 O ATOM 1041 CB ASP A 72 12.765 -13.636 -5.440 1.00 0.00 C ATOM 1042 CG ASP A 72 13.868 -13.927 -6.458 1.00 0.00 C ATOM 1043 OD1 ASP A 72 13.519 -14.055 -7.652 1.00 0.00 O ATOM 1044 OD2 ASP A 72 15.036 -14.016 -6.021 1.00 0.00 O ATOM 0 H ASP A 72 10.230 -15.077 -6.764 1.00 0.00 H new ATOM 0 HA ASP A 72 12.092 -15.663 -5.705 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.276 -12.701 -5.714 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.224 -13.481 -4.464 1.00 0.00 H new ATOM 1049 N LEU A 73 10.754 -16.002 -3.498 1.00 0.00 N ATOM 1050 CA LEU A 73 10.354 -16.267 -2.127 1.00 0.00 C ATOM 1051 C LEU A 73 10.508 -17.761 -1.834 1.00 0.00 C ATOM 1052 O LEU A 73 10.291 -18.595 -2.712 1.00 0.00 O ATOM 1053 CB LEU A 73 8.944 -15.732 -1.867 1.00 0.00 C ATOM 1054 CG LEU A 73 8.646 -14.334 -2.413 1.00 0.00 C ATOM 1055 CD1 LEU A 73 7.138 -14.094 -2.512 1.00 0.00 C ATOM 1056 CD2 LEU A 73 9.344 -13.258 -1.578 1.00 0.00 C ATOM 0 H LEU A 73 10.551 -16.756 -4.155 1.00 0.00 H new ATOM 0 HA LEU A 73 11.005 -15.737 -1.432 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.227 -16.430 -2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.772 -15.724 -0.791 1.00 0.00 H new ATOM 0 HG LEU A 73 9.050 -14.269 -3.423 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.954 -13.093 -2.903 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.695 -14.832 -3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.689 -14.186 -1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.115 -12.274 -1.988 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.993 -13.312 -0.548 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.422 -13.420 -1.603 1.00 0.00 H new ATOM 1068 N PRO A 74 10.890 -18.061 -0.564 1.00 0.00 N ATOM 1069 CA PRO A 74 11.076 -19.440 -0.145 1.00 0.00 C ATOM 1070 C PRO A 74 9.729 -20.137 0.059 1.00 0.00 C ATOM 1071 O PRO A 74 8.879 -19.649 0.803 1.00 0.00 O ATOM 1072 CB PRO A 74 11.900 -19.356 1.130 1.00 0.00 C ATOM 1073 CG PRO A 74 11.751 -17.928 1.629 1.00 0.00 C ATOM 1074 CD PRO A 74 11.155 -17.100 0.503 1.00 0.00 C ATOM 0 HA PRO A 74 11.588 -20.042 -0.895 1.00 0.00 H new ATOM 0 HB2 PRO A 74 11.543 -20.069 1.873 1.00 0.00 H new ATOM 0 HB3 PRO A 74 12.946 -19.595 0.936 1.00 0.00 H new ATOM 0 HG2 PRO A 74 11.107 -17.896 2.508 1.00 0.00 H new ATOM 0 HG3 PRO A 74 12.719 -17.525 1.928 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.241 -16.599 0.821 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.846 -16.324 0.174 1.00 0.00 H new ATOM 1082 N THR A 75 9.576 -21.268 -0.614 1.00 0.00 N ATOM 1083 CA THR A 75 8.347 -22.037 -0.516 1.00 0.00 C ATOM 1084 C THR A 75 8.190 -22.615 0.891 1.00 0.00 C ATOM 1085 O THR A 75 9.072 -23.321 1.378 1.00 0.00 O ATOM 1086 CB THR A 75 8.369 -23.104 -1.612 1.00 0.00 C ATOM 1087 OG1 THR A 75 8.381 -22.356 -2.825 1.00 0.00 O ATOM 1088 CG2 THR A 75 7.064 -23.901 -1.679 1.00 0.00 C ATOM 0 H THR A 75 10.283 -21.670 -1.229 1.00 0.00 H new ATOM 0 HA THR A 75 7.472 -21.406 -0.673 1.00 0.00 H new ATOM 0 HB THR A 75 9.202 -23.785 -1.439 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.768 -21.595 -2.746 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.132 -24.645 -2.473 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.894 -24.402 -0.726 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.235 -23.225 -1.886 1.00 0.00 H new ATOM 1096 N GLY A 76 7.061 -22.293 1.506 1.00 0.00 N ATOM 1097 CA GLY A 76 6.778 -22.772 2.848 1.00 0.00 C ATOM 1098 C GLY A 76 7.480 -21.908 3.898 1.00 0.00 C ATOM 1099 O GLY A 76 8.074 -22.430 4.840 1.00 0.00 O ATOM 0 H GLY A 76 6.332 -21.707 1.100 1.00 0.00 H new ATOM 0 HA2 GLY A 76 5.702 -22.761 3.023 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.106 -23.807 2.945 1.00 0.00 H new ATOM 1103 N ALA A 77 7.388 -20.601 3.700 1.00 0.00 N ATOM 1104 CA ALA A 77 8.007 -19.660 4.618 1.00 0.00 C ATOM 1105 C ALA A 77 7.005 -18.556 4.961 1.00 0.00 C ATOM 1106 O ALA A 77 6.398 -17.964 4.070 1.00 0.00 O ATOM 1107 CB ALA A 77 9.291 -19.109 3.995 1.00 0.00 C ATOM 0 H ALA A 77 6.894 -20.172 2.918 1.00 0.00 H new ATOM 0 HA ALA A 77 8.283 -20.156 5.549 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.756 -18.403 4.683 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.980 -19.930 3.797 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.053 -18.601 3.060 1.00 0.00 H new ATOM 1113 N ARG A 78 6.863 -18.311 6.256 1.00 0.00 N ATOM 1114 CA ARG A 78 5.945 -17.288 6.728 1.00 0.00 C ATOM 1115 C ARG A 78 6.536 -15.896 6.494 1.00 0.00 C ATOM 1116 O ARG A 78 7.369 -15.433 7.271 1.00 0.00 O ATOM 1117 CB ARG A 78 5.645 -17.463 8.218 1.00 0.00 C ATOM 1118 CG ARG A 78 4.541 -18.499 8.437 1.00 0.00 C ATOM 1119 CD ARG A 78 5.052 -19.679 9.267 1.00 0.00 C ATOM 1120 NE ARG A 78 4.057 -20.040 10.301 1.00 0.00 N ATOM 1121 CZ ARG A 78 4.259 -20.967 11.246 1.00 0.00 C ATOM 1122 NH1 ARG A 78 5.420 -21.634 11.294 1.00 0.00 N ATOM 1123 NH2 ARG A 78 3.299 -21.229 12.144 1.00 0.00 N ATOM 0 H ARG A 78 7.368 -18.803 6.993 1.00 0.00 H new ATOM 0 HA ARG A 78 5.016 -17.391 6.167 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.550 -17.774 8.741 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.342 -16.508 8.646 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.696 -18.033 8.943 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.178 -18.858 7.474 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.242 -20.535 8.619 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.000 -19.419 9.738 1.00 0.00 H new ATOM 0 HE ARG A 78 3.161 -19.552 10.293 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.151 -21.436 10.610 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.573 -22.340 12.014 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.415 -20.722 12.108 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.453 -21.935 12.864 1.00 0.00 H new ATOM 1137 N ILE A 79 6.081 -15.269 5.419 1.00 0.00 N ATOM 1138 CA ILE A 79 6.554 -13.939 5.073 1.00 0.00 C ATOM 1139 C ILE A 79 5.379 -12.960 5.106 1.00 0.00 C ATOM 1140 O ILE A 79 4.267 -13.305 4.707 1.00 0.00 O ATOM 1141 CB ILE A 79 7.295 -13.966 3.734 1.00 0.00 C ATOM 1142 CG1 ILE A 79 8.411 -15.012 3.746 1.00 0.00 C ATOM 1143 CG2 ILE A 79 7.816 -12.575 3.369 1.00 0.00 C ATOM 1144 CD1 ILE A 79 8.935 -15.271 2.332 1.00 0.00 C ATOM 0 H ILE A 79 5.390 -15.657 4.776 1.00 0.00 H new ATOM 0 HA ILE A 79 7.281 -13.590 5.807 1.00 0.00 H new ATOM 0 HB ILE A 79 6.588 -14.259 2.958 1.00 0.00 H new ATOM 0 HG12 ILE A 79 9.227 -14.671 4.383 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.038 -15.942 4.176 1.00 0.00 H new ATOM 0 HG21 ILE A 79 8.339 -12.621 2.414 1.00 0.00 H new ATOM 0 HG22 ILE A 79 6.979 -11.882 3.291 1.00 0.00 H new ATOM 0 HG23 ILE A 79 8.503 -12.229 4.142 1.00 0.00 H new ATOM 0 HD11 ILE A 79 9.728 -16.018 2.369 1.00 0.00 H new ATOM 0 HD12 ILE A 79 8.122 -15.635 1.704 1.00 0.00 H new ATOM 0 HD13 ILE A 79 9.329 -14.344 1.915 1.00 0.00 H new ATOM 1156 N LEU A 80 5.664 -11.759 5.585 1.00 0.00 N ATOM 1157 CA LEU A 80 4.645 -10.727 5.675 1.00 0.00 C ATOM 1158 C LEU A 80 4.804 -9.755 4.505 1.00 0.00 C ATOM 1159 O LEU A 80 5.909 -9.562 3.999 1.00 0.00 O ATOM 1160 CB LEU A 80 4.687 -10.050 7.047 1.00 0.00 C ATOM 1161 CG LEU A 80 4.014 -10.810 8.191 1.00 0.00 C ATOM 1162 CD1 LEU A 80 4.385 -10.204 9.546 1.00 0.00 C ATOM 1163 CD2 LEU A 80 2.499 -10.877 7.988 1.00 0.00 C ATOM 0 H LEU A 80 6.587 -11.477 5.915 1.00 0.00 H new ATOM 0 HA LEU A 80 3.651 -11.166 5.592 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.730 -9.880 7.314 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.216 -9.071 6.961 1.00 0.00 H new ATOM 0 HG LEU A 80 4.385 -11.835 8.185 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.893 -10.763 10.342 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.465 -10.253 9.683 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.061 -9.164 9.580 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.045 -11.423 8.815 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.092 -9.867 7.953 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.280 -11.390 7.051 1.00 0.00 H new ATOM 1175 N PHE A 81 3.684 -9.169 4.107 1.00 0.00 N ATOM 1176 CA PHE A 81 3.685 -8.221 3.006 1.00 0.00 C ATOM 1177 C PHE A 81 2.978 -6.923 3.399 1.00 0.00 C ATOM 1178 O PHE A 81 1.846 -6.949 3.880 1.00 0.00 O ATOM 1179 CB PHE A 81 2.922 -8.876 1.853 1.00 0.00 C ATOM 1180 CG PHE A 81 3.540 -10.186 1.361 1.00 0.00 C ATOM 1181 CD1 PHE A 81 4.883 -10.273 1.166 1.00 0.00 C ATOM 1182 CD2 PHE A 81 2.747 -11.263 1.118 1.00 0.00 C ATOM 1183 CE1 PHE A 81 5.457 -11.489 0.710 1.00 0.00 C ATOM 1184 CE2 PHE A 81 3.320 -12.479 0.661 1.00 0.00 C ATOM 1185 CZ PHE A 81 4.664 -12.566 0.467 1.00 0.00 C ATOM 0 H PHE A 81 2.769 -9.333 4.528 1.00 0.00 H new ATOM 0 HA PHE A 81 4.710 -7.974 2.728 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.897 -9.067 2.171 1.00 0.00 H new ATOM 0 HB3 PHE A 81 2.871 -8.175 1.020 1.00 0.00 H new ATOM 0 HD1 PHE A 81 5.513 -9.417 1.358 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.680 -11.194 1.273 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.524 -11.558 0.556 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.690 -13.334 0.467 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.101 -13.491 0.120 1.00 0.00 H new ATOM 1195 N ARG A 82 3.674 -5.817 3.178 1.00 0.00 N ATOM 1196 CA ARG A 82 3.127 -4.511 3.503 1.00 0.00 C ATOM 1197 C ARG A 82 3.281 -3.561 2.314 1.00 0.00 C ATOM 1198 O ARG A 82 4.300 -3.581 1.626 1.00 0.00 O ATOM 1199 CB ARG A 82 3.827 -3.908 4.723 1.00 0.00 C ATOM 1200 CG ARG A 82 5.183 -3.313 4.338 1.00 0.00 C ATOM 1201 CD ARG A 82 6.199 -3.490 5.468 1.00 0.00 C ATOM 1202 NE ARG A 82 6.876 -2.203 5.746 1.00 0.00 N ATOM 1203 CZ ARG A 82 7.564 -1.504 4.833 1.00 0.00 C ATOM 1204 NH1 ARG A 82 7.672 -1.963 3.579 1.00 0.00 N ATOM 1205 NH2 ARG A 82 8.146 -0.346 5.175 1.00 0.00 N ATOM 0 H ARG A 82 4.612 -5.799 2.778 1.00 0.00 H new ATOM 0 HA ARG A 82 2.070 -4.642 3.734 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.198 -3.134 5.162 1.00 0.00 H new ATOM 0 HB3 ARG A 82 3.966 -4.676 5.484 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.552 -3.795 3.433 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.068 -2.253 4.110 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.697 -3.848 6.367 1.00 0.00 H new ATOM 0 HD3 ARG A 82 6.935 -4.245 5.192 1.00 0.00 H new ATOM 0 HE ARG A 82 6.815 -1.825 6.691 1.00 0.00 H new ATOM 0 HH11 ARG A 82 7.230 -2.845 3.319 1.00 0.00 H new ATOM 0 HH12 ARG A 82 8.196 -1.431 2.884 1.00 0.00 H new ATOM 0 HH21 ARG A 82 8.065 0.003 6.130 1.00 0.00 H new ATOM 0 HH22 ARG A 82 8.670 0.186 4.480 1.00 0.00 H new ATOM 1219 N VAL A 83 2.253 -2.750 2.109 1.00 0.00 N ATOM 1220 CA VAL A 83 2.261 -1.794 1.015 1.00 0.00 C ATOM 1221 C VAL A 83 2.245 -0.374 1.584 1.00 0.00 C ATOM 1222 O VAL A 83 1.409 -0.048 2.425 1.00 0.00 O ATOM 1223 CB VAL A 83 1.092 -2.072 0.068 1.00 0.00 C ATOM 1224 CG1 VAL A 83 0.615 -0.784 -0.607 1.00 0.00 C ATOM 1225 CG2 VAL A 83 1.468 -3.129 -0.972 1.00 0.00 C ATOM 0 H VAL A 83 1.409 -2.736 2.682 1.00 0.00 H new ATOM 0 HA VAL A 83 3.171 -1.897 0.425 1.00 0.00 H new ATOM 0 HB VAL A 83 0.266 -2.465 0.661 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.216 -1.010 -1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.288 -0.075 0.153 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.433 -0.349 -1.181 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.619 -3.308 -1.632 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.316 -2.777 -1.559 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.737 -4.057 -0.467 1.00 0.00 H new ATOM 1235 N VAL A 84 3.178 0.434 1.102 1.00 0.00 N ATOM 1236 CA VAL A 84 3.281 1.811 1.553 1.00 0.00 C ATOM 1237 C VAL A 84 3.204 2.746 0.344 1.00 0.00 C ATOM 1238 O VAL A 84 3.958 2.590 -0.615 1.00 0.00 O ATOM 1239 CB VAL A 84 4.560 1.999 2.373 1.00 0.00 C ATOM 1240 CG1 VAL A 84 4.317 1.674 3.848 1.00 0.00 C ATOM 1241 CG2 VAL A 84 5.704 1.156 1.806 1.00 0.00 C ATOM 0 H VAL A 84 3.869 0.161 0.404 1.00 0.00 H new ATOM 0 HA VAL A 84 2.449 2.061 2.211 1.00 0.00 H new ATOM 0 HB VAL A 84 4.852 3.047 2.304 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.241 1.815 4.409 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.547 2.336 4.244 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.990 0.639 3.943 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.601 1.308 2.407 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.426 0.102 1.830 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.902 1.456 0.777 1.00 0.00 H new ATOM 1251 N GLY A 85 2.285 3.696 0.429 1.00 0.00 N ATOM 1252 CA GLY A 85 2.099 4.656 -0.646 1.00 0.00 C ATOM 1253 C GLY A 85 3.202 5.717 -0.630 1.00 0.00 C ATOM 1254 O GLY A 85 3.403 6.394 0.377 1.00 0.00 O ATOM 0 H GLY A 85 1.661 3.822 1.226 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.101 4.138 -1.605 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.126 5.136 -0.545 1.00 0.00 H new ATOM 1258 N VAL A 86 3.887 5.828 -1.759 1.00 0.00 N ATOM 1259 CA VAL A 86 4.964 6.795 -1.888 1.00 0.00 C ATOM 1260 C VAL A 86 4.431 8.058 -2.567 1.00 0.00 C ATOM 1261 O VAL A 86 3.390 8.023 -3.221 1.00 0.00 O ATOM 1262 CB VAL A 86 6.144 6.168 -2.633 1.00 0.00 C ATOM 1263 CG1 VAL A 86 6.822 5.093 -1.781 1.00 0.00 C ATOM 1264 CG2 VAL A 86 5.700 5.599 -3.982 1.00 0.00 C ATOM 0 H VAL A 86 3.717 5.265 -2.592 1.00 0.00 H new ATOM 0 HA VAL A 86 5.335 7.086 -0.905 1.00 0.00 H new ATOM 0 HB VAL A 86 6.875 6.954 -2.825 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.657 4.664 -2.334 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.190 5.539 -0.857 1.00 0.00 H new ATOM 0 HG13 VAL A 86 6.103 4.309 -1.544 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.557 5.159 -4.491 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.941 4.833 -3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.285 6.399 -4.595 1.00 0.00 H new ATOM 1274 N ASN A 87 5.169 9.144 -2.389 1.00 0.00 N ATOM 1275 CA ASN A 87 4.783 10.416 -2.976 1.00 0.00 C ATOM 1276 C ASN A 87 5.715 11.514 -2.461 1.00 0.00 C ATOM 1277 O ASN A 87 6.643 11.240 -1.701 1.00 0.00 O ATOM 1278 CB ASN A 87 3.352 10.790 -2.588 1.00 0.00 C ATOM 1279 CG ASN A 87 3.083 10.477 -1.115 1.00 0.00 C ATOM 1280 OD1 ASN A 87 3.182 9.347 -0.666 1.00 0.00 O ATOM 1281 ND2 ASN A 87 2.738 11.538 -0.390 1.00 0.00 N ATOM 0 H ASN A 87 6.032 9.169 -1.846 1.00 0.00 H new ATOM 0 HA ASN A 87 4.849 10.321 -4.060 1.00 0.00 H new ATOM 0 HB2 ASN A 87 3.187 11.851 -2.774 1.00 0.00 H new ATOM 0 HB3 ASN A 87 2.647 10.243 -3.214 1.00 0.00 H new ATOM 0 HD21 ASN A 87 2.538 11.433 0.605 1.00 0.00 H new ATOM 0 HD22 ASN A 87 2.674 12.457 -0.829 1.00 0.00 H new ATOM 1288 N ILE A 88 5.436 12.735 -2.895 1.00 0.00 N ATOM 1289 CA ILE A 88 6.238 13.876 -2.487 1.00 0.00 C ATOM 1290 C ILE A 88 6.344 13.899 -0.961 1.00 0.00 C ATOM 1291 O ILE A 88 7.420 14.135 -0.413 1.00 0.00 O ATOM 1292 CB ILE A 88 5.676 15.167 -3.084 1.00 0.00 C ATOM 1293 CG1 ILE A 88 6.730 16.276 -3.085 1.00 0.00 C ATOM 1294 CG2 ILE A 88 4.396 15.593 -2.362 1.00 0.00 C ATOM 1295 CD1 ILE A 88 6.840 16.927 -4.465 1.00 0.00 C ATOM 0 H ILE A 88 4.666 12.959 -3.525 1.00 0.00 H new ATOM 0 HA ILE A 88 7.252 13.788 -2.876 1.00 0.00 H new ATOM 0 HB ILE A 88 5.411 14.975 -4.124 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.470 17.031 -2.343 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.697 15.864 -2.795 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.017 16.514 -2.806 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.646 14.808 -2.458 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.612 15.761 -1.307 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.596 17.712 -4.438 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.124 16.175 -5.201 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.878 17.359 -4.741 1.00 0.00 H new ATOM 1307 N ALA A 89 5.213 13.652 -0.317 1.00 0.00 N ATOM 1308 CA ALA A 89 5.165 13.642 1.136 1.00 0.00 C ATOM 1309 C ALA A 89 6.057 12.517 1.663 1.00 0.00 C ATOM 1310 O ALA A 89 6.498 12.556 2.811 1.00 0.00 O ATOM 1311 CB ALA A 89 3.713 13.501 1.598 1.00 0.00 C ATOM 0 H ALA A 89 4.322 13.457 -0.774 1.00 0.00 H new ATOM 0 HA ALA A 89 5.545 14.580 1.539 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.677 13.493 2.687 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.128 14.340 1.221 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.298 12.569 1.215 1.00 0.00 H new ATOM 1317 N GLY A 90 6.297 11.541 0.800 1.00 0.00 N ATOM 1318 CA GLY A 90 7.129 10.407 1.165 1.00 0.00 C ATOM 1319 C GLY A 90 6.307 9.117 1.214 1.00 0.00 C ATOM 1320 O GLY A 90 5.425 8.907 0.383 1.00 0.00 O ATOM 0 H GLY A 90 5.930 11.512 -0.151 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.939 10.299 0.444 1.00 0.00 H new ATOM 0 HA3 GLY A 90 7.589 10.587 2.137 1.00 0.00 H new ATOM 1324 N ARG A 91 6.626 8.287 2.195 1.00 0.00 N ATOM 1325 CA ARG A 91 5.928 7.023 2.364 1.00 0.00 C ATOM 1326 C ARG A 91 4.810 7.168 3.398 1.00 0.00 C ATOM 1327 O ARG A 91 4.780 8.140 4.152 1.00 0.00 O ATOM 1328 CB ARG A 91 6.888 5.919 2.811 1.00 0.00 C ATOM 1329 CG ARG A 91 7.779 6.399 3.958 1.00 0.00 C ATOM 1330 CD ARG A 91 8.119 5.248 4.907 1.00 0.00 C ATOM 1331 NE ARG A 91 9.042 4.301 4.243 1.00 0.00 N ATOM 1332 CZ ARG A 91 9.617 3.257 4.856 1.00 0.00 C ATOM 1333 NH1 ARG A 91 9.368 3.021 6.152 1.00 0.00 N ATOM 1334 NH2 ARG A 91 10.441 2.450 4.175 1.00 0.00 N ATOM 0 H ARG A 91 7.359 8.464 2.882 1.00 0.00 H new ATOM 0 HA ARG A 91 5.501 6.748 1.399 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.320 5.045 3.128 1.00 0.00 H new ATOM 0 HB3 ARG A 91 7.508 5.608 1.970 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.697 6.826 3.555 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.273 7.192 4.509 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.577 5.638 5.816 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.207 4.731 5.206 1.00 0.00 H new ATOM 0 HE ARG A 91 9.254 4.452 3.257 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.741 3.636 6.671 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.805 2.227 6.619 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.631 2.630 3.189 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.878 1.656 4.642 1.00 0.00 H new ATOM 1348 N SER A 92 3.919 6.188 3.401 1.00 0.00 N ATOM 1349 CA SER A 92 2.803 6.194 4.330 1.00 0.00 C ATOM 1350 C SER A 92 2.817 4.918 5.174 1.00 0.00 C ATOM 1351 O SER A 92 3.587 3.998 4.901 1.00 0.00 O ATOM 1352 CB SER A 92 1.470 6.325 3.590 1.00 0.00 C ATOM 1353 OG SER A 92 0.941 5.057 3.213 1.00 0.00 O ATOM 0 H SER A 92 3.948 5.384 2.774 1.00 0.00 H new ATOM 0 HA SER A 92 2.910 7.058 4.986 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.752 6.843 4.226 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.608 6.939 2.700 1.00 0.00 H new ATOM 0 HG SER A 92 0.287 5.176 2.493 1.00 0.00 H new ATOM 1359 N GLU A 93 1.957 4.903 6.182 1.00 0.00 N ATOM 1360 CA GLU A 93 1.862 3.755 7.067 1.00 0.00 C ATOM 1361 C GLU A 93 1.736 2.465 6.253 1.00 0.00 C ATOM 1362 O GLU A 93 0.968 2.405 5.294 1.00 0.00 O ATOM 1363 CB GLU A 93 0.688 3.907 8.038 1.00 0.00 C ATOM 1364 CG GLU A 93 1.031 4.885 9.163 1.00 0.00 C ATOM 1365 CD GLU A 93 0.263 4.541 10.441 1.00 0.00 C ATOM 1366 OE1 GLU A 93 -0.985 4.538 10.369 1.00 0.00 O ATOM 1367 OE2 GLU A 93 0.940 4.289 11.460 1.00 0.00 O ATOM 0 H GLU A 93 1.320 5.668 6.405 1.00 0.00 H new ATOM 0 HA GLU A 93 2.776 3.700 7.658 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.191 4.261 7.499 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.433 2.935 8.461 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.103 4.857 9.360 1.00 0.00 H new ATOM 0 HG3 GLU A 93 0.790 5.902 8.852 1.00 0.00 H new ATOM 1374 N PRO A 94 2.523 1.440 6.676 1.00 0.00 N ATOM 1375 CA PRO A 94 2.507 0.156 5.996 1.00 0.00 C ATOM 1376 C PRO A 94 1.240 -0.630 6.338 1.00 0.00 C ATOM 1377 O PRO A 94 0.972 -0.905 7.507 1.00 0.00 O ATOM 1378 CB PRO A 94 3.779 -0.544 6.448 1.00 0.00 C ATOM 1379 CG PRO A 94 4.223 0.173 7.712 1.00 0.00 C ATOM 1380 CD PRO A 94 3.445 1.475 7.807 1.00 0.00 C ATOM 0 HA PRO A 94 2.486 0.255 4.911 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.595 -1.601 6.643 1.00 0.00 H new ATOM 0 HB3 PRO A 94 4.549 -0.491 5.678 1.00 0.00 H new ATOM 0 HG2 PRO A 94 4.037 -0.448 8.588 1.00 0.00 H new ATOM 0 HG3 PRO A 94 5.295 0.370 7.683 1.00 0.00 H new ATOM 0 HD2 PRO A 94 2.908 1.547 8.753 1.00 0.00 H new ATOM 0 HD3 PRO A 94 4.109 2.338 7.750 1.00 0.00 H new ATOM 1388 N ALA A 95 0.493 -0.969 5.298 1.00 0.00 N ATOM 1389 CA ALA A 95 -0.740 -1.717 5.473 1.00 0.00 C ATOM 1390 C ALA A 95 -0.412 -3.203 5.630 1.00 0.00 C ATOM 1391 O ALA A 95 -0.948 -4.041 4.906 1.00 0.00 O ATOM 1392 CB ALA A 95 -1.674 -1.448 4.291 1.00 0.00 C ATOM 0 H ALA A 95 0.718 -0.739 4.330 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.258 -1.396 6.377 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.599 -2.010 4.423 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.900 -0.383 4.241 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.189 -1.760 3.366 1.00 0.00 H new ATOM 1398 N THR A 96 0.468 -3.485 6.580 1.00 0.00 N ATOM 1399 CA THR A 96 0.874 -4.856 6.841 1.00 0.00 C ATOM 1400 C THR A 96 -0.322 -5.801 6.711 1.00 0.00 C ATOM 1401 O THR A 96 -1.458 -5.410 6.978 1.00 0.00 O ATOM 1402 CB THR A 96 1.535 -4.898 8.220 1.00 0.00 C ATOM 1403 OG1 THR A 96 2.257 -3.672 8.297 1.00 0.00 O ATOM 1404 CG2 THR A 96 2.618 -5.975 8.317 1.00 0.00 C ATOM 0 H THR A 96 0.911 -2.788 7.178 1.00 0.00 H new ATOM 0 HA THR A 96 1.601 -5.200 6.105 1.00 0.00 H new ATOM 0 HB THR A 96 0.776 -5.077 8.981 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.715 -3.616 9.161 1.00 0.00 H new ATOM 0 HG21 THR A 96 3.055 -5.962 9.315 1.00 0.00 H new ATOM 0 HG22 THR A 96 2.176 -6.953 8.126 1.00 0.00 H new ATOM 0 HG23 THR A 96 3.395 -5.777 7.578 1.00 0.00 H new ATOM 1412 N LEU A 97 -0.027 -7.026 6.302 1.00 0.00 N ATOM 1413 CA LEU A 97 -1.064 -8.029 6.134 1.00 0.00 C ATOM 1414 C LEU A 97 -1.507 -8.534 7.508 1.00 0.00 C ATOM 1415 O LEU A 97 -0.683 -8.707 8.405 1.00 0.00 O ATOM 1416 CB LEU A 97 -0.587 -9.140 5.195 1.00 0.00 C ATOM 1417 CG LEU A 97 -0.814 -8.899 3.702 1.00 0.00 C ATOM 1418 CD1 LEU A 97 -0.187 -10.016 2.865 1.00 0.00 C ATOM 1419 CD2 LEU A 97 -2.302 -8.719 3.395 1.00 0.00 C ATOM 0 H LEU A 97 0.916 -7.347 6.082 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.942 -7.593 5.656 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.479 -9.295 5.360 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.091 -10.066 5.474 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.314 -7.970 3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.363 -9.820 1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.886 -10.054 3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.637 -10.971 3.137 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.435 -8.549 2.327 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.846 -9.616 3.690 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.687 -7.863 3.949 1.00 0.00 H new ATOM 1431 N LEU A 98 -2.808 -8.755 7.631 1.00 0.00 N ATOM 1432 CA LEU A 98 -3.370 -9.236 8.881 1.00 0.00 C ATOM 1433 C LEU A 98 -2.755 -10.594 9.224 1.00 0.00 C ATOM 1434 O LEU A 98 -2.758 -11.007 10.382 1.00 0.00 O ATOM 1435 CB LEU A 98 -4.899 -9.254 8.809 1.00 0.00 C ATOM 1436 CG LEU A 98 -5.591 -7.892 8.895 1.00 0.00 C ATOM 1437 CD1 LEU A 98 -7.029 -7.975 8.379 1.00 0.00 C ATOM 1438 CD2 LEU A 98 -5.523 -7.332 10.317 1.00 0.00 C ATOM 0 H LEU A 98 -3.489 -8.610 6.885 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.120 -8.558 9.697 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.193 -9.730 7.874 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -5.274 -9.881 9.618 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.057 -7.195 8.249 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -7.499 -6.994 8.451 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.024 -8.299 7.338 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.590 -8.691 8.980 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -6.022 -6.364 10.351 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.018 -8.019 11.003 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.480 -7.213 10.612 1.00 0.00 H new ATOM 1450 N GLN A 99 -2.241 -11.251 8.194 1.00 0.00 N ATOM 1451 CA GLN A 99 -1.623 -12.554 8.372 1.00 0.00 C ATOM 1452 C GLN A 99 -0.501 -12.753 7.350 1.00 0.00 C ATOM 1453 O GLN A 99 -0.554 -12.205 6.250 1.00 0.00 O ATOM 1454 CB GLN A 99 -2.662 -13.673 8.270 1.00 0.00 C ATOM 1455 CG GLN A 99 -3.600 -13.662 9.479 1.00 0.00 C ATOM 1456 CD GLN A 99 -4.354 -14.987 9.599 1.00 0.00 C ATOM 1457 OE1 GLN A 99 -5.320 -15.247 8.901 1.00 0.00 O ATOM 1458 NE2 GLN A 99 -3.861 -15.808 10.523 1.00 0.00 N ATOM 0 H GLN A 99 -2.240 -10.905 7.234 1.00 0.00 H new ATOM 0 HA GLN A 99 -1.190 -12.595 9.371 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.241 -13.554 7.355 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.158 -14.637 8.205 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -3.026 -13.483 10.388 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -4.312 -12.842 9.384 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -3.049 -15.528 11.073 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -4.295 -16.717 10.681 1.00 0.00 H new ATOM 1467 N PRO A 100 0.514 -13.560 7.761 1.00 0.00 N ATOM 1468 CA PRO A 100 1.646 -13.838 6.894 1.00 0.00 C ATOM 1469 C PRO A 100 1.262 -14.825 5.790 1.00 0.00 C ATOM 1470 O PRO A 100 0.116 -15.264 5.716 1.00 0.00 O ATOM 1471 CB PRO A 100 2.728 -14.372 7.819 1.00 0.00 C ATOM 1472 CG PRO A 100 2.013 -14.810 9.087 1.00 0.00 C ATOM 1473 CD PRO A 100 0.610 -14.226 9.056 1.00 0.00 C ATOM 0 HA PRO A 100 1.996 -12.953 6.362 1.00 0.00 H new ATOM 0 HB2 PRO A 100 3.257 -15.208 7.360 1.00 0.00 H new ATOM 0 HB3 PRO A 100 3.471 -13.604 8.035 1.00 0.00 H new ATOM 0 HG2 PRO A 100 1.973 -15.898 9.146 1.00 0.00 H new ATOM 0 HG3 PRO A 100 2.552 -14.463 9.969 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.145 -15.005 9.157 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.455 -13.523 9.875 1.00 0.00 H new ATOM 1481 N VAL A 101 2.243 -15.146 4.959 1.00 0.00 N ATOM 1482 CA VAL A 101 2.023 -16.073 3.863 1.00 0.00 C ATOM 1483 C VAL A 101 3.049 -17.205 3.943 1.00 0.00 C ATOM 1484 O VAL A 101 4.236 -16.957 4.152 1.00 0.00 O ATOM 1485 CB VAL A 101 2.060 -15.325 2.529 1.00 0.00 C ATOM 1486 CG1 VAL A 101 2.139 -16.302 1.354 1.00 0.00 C ATOM 1487 CG2 VAL A 101 0.854 -14.394 2.388 1.00 0.00 C ATOM 0 H VAL A 101 3.193 -14.780 5.023 1.00 0.00 H new ATOM 0 HA VAL A 101 1.034 -16.526 3.939 1.00 0.00 H new ATOM 0 HB VAL A 101 2.960 -14.711 2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.164 -15.744 0.418 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.043 -16.904 1.442 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.266 -16.955 1.364 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.905 -13.875 1.431 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.065 -14.979 2.435 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.861 -13.664 3.198 1.00 0.00 H new ATOM 1497 N THR A 102 2.555 -18.422 3.773 1.00 0.00 N ATOM 1498 CA THR A 102 3.415 -19.592 3.823 1.00 0.00 C ATOM 1499 C THR A 102 4.182 -19.748 2.508 1.00 0.00 C ATOM 1500 O THR A 102 5.227 -20.396 2.468 1.00 0.00 O ATOM 1501 CB THR A 102 2.546 -20.804 4.166 1.00 0.00 C ATOM 1502 OG1 THR A 102 2.702 -20.955 5.574 1.00 0.00 O ATOM 1503 CG2 THR A 102 3.101 -22.106 3.587 1.00 0.00 C ATOM 0 H THR A 102 1.570 -18.623 3.600 1.00 0.00 H new ATOM 0 HA THR A 102 4.176 -19.490 4.597 1.00 0.00 H new ATOM 0 HB THR A 102 1.535 -20.643 3.791 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.170 -21.718 5.882 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.447 -22.934 3.860 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.154 -22.028 2.501 1.00 0.00 H new ATOM 0 HG23 THR A 102 4.099 -22.286 3.987 1.00 0.00 H new ATOM 1511 N ILE A 103 3.634 -19.142 1.465 1.00 0.00 N ATOM 1512 CA ILE A 103 4.253 -19.205 0.152 1.00 0.00 C ATOM 1513 C ILE A 103 4.246 -20.653 -0.341 1.00 0.00 C ATOM 1514 O ILE A 103 5.115 -21.442 0.027 1.00 0.00 O ATOM 1515 CB ILE A 103 5.646 -18.574 0.187 1.00 0.00 C ATOM 1516 CG1 ILE A 103 5.592 -17.155 0.756 1.00 0.00 C ATOM 1517 CG2 ILE A 103 6.300 -18.612 -1.196 1.00 0.00 C ATOM 1518 CD1 ILE A 103 4.908 -16.197 -0.222 1.00 0.00 C ATOM 0 H ILE A 103 2.768 -18.605 1.503 1.00 0.00 H new ATOM 0 HA ILE A 103 3.681 -18.620 -0.568 1.00 0.00 H new ATOM 0 HB ILE A 103 6.271 -19.165 0.856 1.00 0.00 H new ATOM 0 HG12 ILE A 103 5.053 -17.160 1.703 1.00 0.00 H new ATOM 0 HG13 ILE A 103 6.603 -16.805 0.966 1.00 0.00 H new ATOM 0 HG21 ILE A 103 7.289 -18.157 -1.143 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.393 -19.647 -1.526 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.684 -18.059 -1.905 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.883 -15.195 0.207 1.00 0.00 H new ATOM 0 HD12 ILE A 103 5.464 -16.176 -1.160 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.890 -16.536 -0.411 1.00 0.00 H new ATOM 1530 N ARG A 104 3.256 -20.958 -1.167 1.00 0.00 N ATOM 1531 CA ARG A 104 3.124 -22.298 -1.715 1.00 0.00 C ATOM 1532 C ARG A 104 1.899 -22.380 -2.627 1.00 0.00 C ATOM 1533 O ARG A 104 0.848 -21.824 -2.312 1.00 0.00 O ATOM 1534 CB ARG A 104 2.993 -23.338 -0.601 1.00 0.00 C ATOM 1535 CG ARG A 104 2.497 -24.675 -1.155 1.00 0.00 C ATOM 1536 CD ARG A 104 2.876 -25.829 -0.224 1.00 0.00 C ATOM 1537 NE ARG A 104 2.102 -27.040 -0.578 1.00 0.00 N ATOM 1538 CZ ARG A 104 2.381 -27.832 -1.622 1.00 0.00 C ATOM 1539 NH1 ARG A 104 3.418 -27.547 -2.421 1.00 0.00 N ATOM 1540 NH2 ARG A 104 1.624 -28.910 -1.866 1.00 0.00 N ATOM 0 H ARG A 104 2.538 -20.301 -1.470 1.00 0.00 H new ATOM 0 HA ARG A 104 4.025 -22.511 -2.291 1.00 0.00 H new ATOM 0 HB2 ARG A 104 3.958 -23.478 -0.114 1.00 0.00 H new ATOM 0 HB3 ARG A 104 2.301 -22.976 0.160 1.00 0.00 H new ATOM 0 HG2 ARG A 104 1.414 -24.643 -1.278 1.00 0.00 H new ATOM 0 HG3 ARG A 104 2.925 -24.845 -2.143 1.00 0.00 H new ATOM 0 HD2 ARG A 104 3.944 -26.034 -0.302 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.679 -25.551 0.812 1.00 0.00 H new ATOM 0 HE ARG A 104 1.306 -27.287 0.010 1.00 0.00 H new ATOM 0 HH11 ARG A 104 3.995 -26.727 -2.235 1.00 0.00 H new ATOM 0 HH12 ARG A 104 3.630 -28.150 -3.216 1.00 0.00 H new ATOM 0 HH21 ARG A 104 0.835 -29.128 -1.257 1.00 0.00 H new ATOM 0 HH22 ARG A 104 1.836 -29.513 -2.661 1.00 0.00 H new ATOM 1554 N GLU A 105 2.075 -23.078 -3.740 1.00 0.00 N ATOM 1555 CA GLU A 105 0.996 -23.240 -4.700 1.00 0.00 C ATOM 1556 C GLU A 105 0.082 -24.393 -4.281 1.00 0.00 C ATOM 1557 O GLU A 105 0.522 -25.328 -3.613 1.00 0.00 O ATOM 1558 CB GLU A 105 1.546 -23.460 -6.110 1.00 0.00 C ATOM 1559 CG GLU A 105 0.442 -23.308 -7.159 1.00 0.00 C ATOM 1560 CD GLU A 105 -0.157 -24.667 -7.525 1.00 0.00 C ATOM 1561 OE1 GLU A 105 0.623 -25.643 -7.553 1.00 0.00 O ATOM 1562 OE2 GLU A 105 -1.383 -24.699 -7.770 1.00 0.00 O ATOM 0 H GLU A 105 2.948 -23.538 -3.998 1.00 0.00 H new ATOM 0 HA GLU A 105 0.407 -22.323 -4.715 1.00 0.00 H new ATOM 0 HB2 GLU A 105 2.343 -22.744 -6.309 1.00 0.00 H new ATOM 0 HB3 GLU A 105 1.986 -24.455 -6.181 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -0.341 -22.653 -6.776 1.00 0.00 H new ATOM 0 HG3 GLU A 105 0.847 -22.833 -8.052 1.00 0.00 H new