USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 689 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 74 SER OG : rot 93:sc= 0.0778 USER MOD Set 1.2: A 76 HIS :FLIP no HD1:sc= 0.0948 F(o=-1.2!,f=0.17) USER MOD Single : A 12 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0422) USER MOD Single : A 15 HIS : no HD1:sc= -6.96! C(o=-7!,f=-7.8!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 142:sc= -1.22 (180deg=-3.15!) USER MOD Single : A 48 HIS : no HD1:sc= -3.04! C(o=-3!,f=-5.3!) USER MOD Single : A 49 TYR OH : rot 130:sc= 0 USER MOD Single : A 50 THR OG1 : rot 21:sc= 0.729 USER MOD Single : A 51 ASN : amide:sc= -2.33! C(o=-2.3!,f=-7.9!) USER MOD Single : A 52 ASN : amide:sc= -0.0548 K(o=-0.055,f=-1.6!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -17:sc= 1.11 USER MOD Single : A 61 GLN :FLIP amide:sc= -1.24 F(o=-2.5!,f=-1.2) USER MOD Single : A 66 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0945) USER MOD Single : A 77 MET CE :methyl 146:sc= -0.271 (180deg=-0.892) USER MOD Single : A 78 LYS NZ :NH3+ 154:sc= -0.41 (180deg=-1.43!) USER MOD Single : A 79 SER OG : rot 180:sc= -0.752 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 -2.001 12.951 -10.026 1.00 0.00 N ATOM 67 CA ASP A 8 -1.282 11.877 -9.350 1.00 0.00 C ATOM 68 C ASP A 8 -2.138 11.259 -8.249 1.00 0.00 C ATOM 69 O ASP A 8 -3.212 11.767 -7.925 1.00 0.00 O ATOM 70 CB ASP A 8 0.028 12.403 -8.760 1.00 0.00 C ATOM 71 CG ASP A 8 0.667 13.468 -9.629 1.00 0.00 C ATOM 72 OD1 ASP A 8 0.027 14.517 -9.851 1.00 0.00 O ATOM 73 OD2 ASP A 8 1.809 13.252 -10.087 1.00 0.00 O ATOM 0 HA ASP A 8 -1.056 11.105 -10.086 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.162 12.813 -7.768 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.725 11.575 -8.634 1.00 0.00 H new ATOM 78 N VAL A 9 -1.656 10.160 -7.678 1.00 0.00 N ATOM 79 CA VAL A 9 -2.377 9.472 -6.613 1.00 0.00 C ATOM 80 C VAL A 9 -1.638 9.589 -5.285 1.00 0.00 C ATOM 81 O VAL A 9 -0.627 8.922 -5.065 1.00 0.00 O ATOM 82 CB VAL A 9 -2.582 7.982 -6.945 1.00 0.00 C ATOM 83 CG1 VAL A 9 -3.291 7.273 -5.802 1.00 0.00 C ATOM 84 CG2 VAL A 9 -3.359 7.828 -8.244 1.00 0.00 C ATOM 0 H VAL A 9 -0.769 9.727 -7.935 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.351 9.954 -6.527 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.604 7.519 -7.077 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.427 6.221 -6.055 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.691 7.354 -4.896 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.264 7.735 -5.635 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.495 6.769 -8.463 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.334 8.306 -8.144 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.806 8.299 -9.057 1.00 0.00 H new ATOM 94 N ARG A 10 -2.149 10.440 -4.402 1.00 0.00 N ATOM 95 CA ARG A 10 -1.537 10.645 -3.095 1.00 0.00 C ATOM 96 C ARG A 10 -1.678 9.398 -2.227 1.00 0.00 C ATOM 97 O ARG A 10 -2.766 9.086 -1.742 1.00 0.00 O ATOM 98 CB ARG A 10 -2.176 11.844 -2.391 1.00 0.00 C ATOM 99 CG ARG A 10 -1.277 12.488 -1.348 1.00 0.00 C ATOM 100 CD ARG A 10 -2.017 13.554 -0.556 1.00 0.00 C ATOM 101 NE ARG A 10 -1.225 14.052 0.565 1.00 0.00 N ATOM 102 CZ ARG A 10 -0.307 15.005 0.449 1.00 0.00 C ATOM 103 NH1 ARG A 10 -0.068 15.561 -0.730 1.00 0.00 N ATOM 104 NH2 ARG A 10 0.373 15.406 1.516 1.00 0.00 N ATOM 0 H ARG A 10 -2.986 10.999 -4.568 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.476 10.844 -3.246 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.446 12.591 -3.137 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.101 11.523 -1.913 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.901 11.723 -0.668 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.411 12.933 -1.838 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.273 14.383 -1.216 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.955 13.143 -0.183 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.385 13.646 1.487 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.590 15.257 -1.552 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.638 16.293 -0.815 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.191 14.982 2.426 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.078 16.138 1.426 1.00 0.00 H new ATOM 118 N VAL A 11 -0.571 8.688 -2.036 1.00 0.00 N ATOM 119 CA VAL A 11 -0.571 7.475 -1.226 1.00 0.00 C ATOM 120 C VAL A 11 0.134 7.704 0.106 1.00 0.00 C ATOM 121 O VAL A 11 1.298 8.105 0.145 1.00 0.00 O ATOM 122 CB VAL A 11 0.114 6.309 -1.963 1.00 0.00 C ATOM 123 CG1 VAL A 11 0.182 5.079 -1.070 1.00 0.00 C ATOM 124 CG2 VAL A 11 -0.616 5.996 -3.261 1.00 0.00 C ATOM 0 H VAL A 11 0.337 8.931 -2.431 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.614 7.217 -1.042 1.00 0.00 H new ATOM 0 HB VAL A 11 1.133 6.607 -2.209 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.669 4.266 -1.608 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.753 5.313 -0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.827 4.776 -0.790 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.118 5.170 -3.768 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.647 5.718 -3.041 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.607 6.875 -3.905 1.00 0.00 H new ATOM 134 N LYS A 12 -0.578 7.445 1.198 1.00 0.00 N ATOM 135 CA LYS A 12 -0.021 7.621 2.534 1.00 0.00 C ATOM 136 C LYS A 12 0.376 6.278 3.138 1.00 0.00 C ATOM 137 O LYS A 12 -0.459 5.389 3.306 1.00 0.00 O ATOM 138 CB LYS A 12 -1.034 8.321 3.443 1.00 0.00 C ATOM 139 CG LYS A 12 -0.454 8.759 4.776 1.00 0.00 C ATOM 140 CD LYS A 12 -1.231 9.924 5.366 1.00 0.00 C ATOM 141 CE LYS A 12 -2.503 9.454 6.054 1.00 0.00 C ATOM 142 NZ LYS A 12 -2.220 8.822 7.373 1.00 0.00 N ATOM 0 H LYS A 12 -1.542 7.112 1.184 1.00 0.00 H new ATOM 0 HA LYS A 12 0.872 8.241 2.450 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.432 9.194 2.925 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.872 7.648 3.624 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.468 7.921 5.473 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.589 9.046 4.643 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.604 10.456 6.082 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.483 10.632 4.576 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.174 10.301 6.194 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.020 8.740 5.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.114 8.654 7.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.730 7.917 7.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.618 9.454 7.939 1.00 0.00 H new ATOM 156 N PHE A 13 1.657 6.137 3.465 1.00 0.00 N ATOM 157 CA PHE A 13 2.165 4.902 4.052 1.00 0.00 C ATOM 158 C PHE A 13 2.273 5.025 5.569 1.00 0.00 C ATOM 159 O PHE A 13 2.638 6.077 6.092 1.00 0.00 O ATOM 160 CB PHE A 13 3.532 4.556 3.458 1.00 0.00 C ATOM 161 CG PHE A 13 3.498 4.314 1.976 1.00 0.00 C ATOM 162 CD1 PHE A 13 2.679 3.334 1.439 1.00 0.00 C ATOM 163 CD2 PHE A 13 4.284 5.068 1.120 1.00 0.00 C ATOM 164 CE1 PHE A 13 2.647 3.109 0.076 1.00 0.00 C ATOM 165 CE2 PHE A 13 4.256 4.847 -0.245 1.00 0.00 C ATOM 166 CZ PHE A 13 3.435 3.867 -0.767 1.00 0.00 C ATOM 0 H PHE A 13 2.362 6.862 3.333 1.00 0.00 H new ATOM 0 HA PHE A 13 1.462 4.102 3.820 1.00 0.00 H new ATOM 0 HB2 PHE A 13 4.227 5.368 3.670 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.920 3.667 3.954 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.059 2.739 2.093 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.926 5.837 1.523 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.006 2.340 -0.330 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.875 5.440 -0.902 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.409 3.694 -1.833 1.00 0.00 H new ATOM 176 N GLU A 14 1.952 3.942 6.269 1.00 0.00 N ATOM 177 CA GLU A 14 2.012 3.928 7.726 1.00 0.00 C ATOM 178 C GLU A 14 2.655 2.641 8.232 1.00 0.00 C ATOM 179 O GLU A 14 2.327 1.547 7.771 1.00 0.00 O ATOM 180 CB GLU A 14 0.608 4.078 8.317 1.00 0.00 C ATOM 181 CG GLU A 14 0.585 4.802 9.653 1.00 0.00 C ATOM 182 CD GLU A 14 0.776 3.863 10.828 1.00 0.00 C ATOM 183 OE1 GLU A 14 -0.235 3.328 11.330 1.00 0.00 O ATOM 184 OE2 GLU A 14 1.935 3.664 11.247 1.00 0.00 O ATOM 0 H GLU A 14 1.648 3.063 5.851 1.00 0.00 H new ATOM 0 HA GLU A 14 2.626 4.770 8.047 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.019 4.619 7.609 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.168 3.089 8.442 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.370 5.558 9.666 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.365 5.326 9.762 1.00 0.00 H new ATOM 191 N HIS A 15 3.573 2.779 9.184 1.00 0.00 N ATOM 192 CA HIS A 15 4.262 1.627 9.754 1.00 0.00 C ATOM 193 C HIS A 15 4.814 1.955 11.138 1.00 0.00 C ATOM 194 O HIS A 15 5.590 2.897 11.301 1.00 0.00 O ATOM 195 CB HIS A 15 5.397 1.179 8.833 1.00 0.00 C ATOM 196 CG HIS A 15 5.812 -0.245 9.043 1.00 0.00 C ATOM 197 ND1 HIS A 15 5.867 -0.837 10.287 1.00 0.00 N ATOM 198 CD2 HIS A 15 6.191 -1.196 8.158 1.00 0.00 C ATOM 199 CE1 HIS A 15 6.264 -2.091 10.158 1.00 0.00 C ATOM 200 NE2 HIS A 15 6.467 -2.334 8.876 1.00 0.00 N ATOM 0 H HIS A 15 3.857 3.677 9.576 1.00 0.00 H new ATOM 0 HA HIS A 15 3.541 0.815 9.852 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.086 1.309 7.797 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.259 1.827 8.991 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.263 -1.082 7.087 1.00 0.00 H new ATOM 0 HE1 HIS A 15 6.399 -2.797 10.964 1.00 0.00 H new ATOM 0 HE2 HIS A 15 6.778 -3.222 8.483 1.00 0.00 H new ATOM 209 N ARG A 16 4.407 1.172 12.132 1.00 0.00 N ATOM 210 CA ARG A 16 4.860 1.380 13.503 1.00 0.00 C ATOM 211 C ARG A 16 4.882 2.867 13.848 1.00 0.00 C ATOM 212 O ARG A 16 5.834 3.361 14.449 1.00 0.00 O ATOM 213 CB ARG A 16 6.252 0.779 13.700 1.00 0.00 C ATOM 214 CG ARG A 16 6.238 -0.715 13.975 1.00 0.00 C ATOM 215 CD ARG A 16 7.640 -1.303 13.937 1.00 0.00 C ATOM 216 NE ARG A 16 7.741 -2.530 14.723 1.00 0.00 N ATOM 217 CZ ARG A 16 8.895 -3.089 15.066 1.00 0.00 C ATOM 218 NH1 ARG A 16 10.041 -2.534 14.696 1.00 0.00 N ATOM 219 NH2 ARG A 16 8.906 -4.206 15.783 1.00 0.00 N ATOM 0 H ARG A 16 3.765 0.388 12.014 1.00 0.00 H new ATOM 0 HA ARG A 16 4.159 0.880 14.171 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.850 0.970 12.809 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.744 1.288 14.529 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.791 -0.902 14.951 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.612 -1.216 13.236 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.918 -1.511 12.904 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.351 -0.570 14.317 1.00 0.00 H new ATOM 0 HE ARG A 16 6.878 -2.982 15.025 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.038 -1.675 14.146 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.926 -2.966 14.961 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.027 -4.636 16.071 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.793 -4.635 16.046 1.00 0.00 H new ATOM 233 N GLY A 17 3.824 3.574 13.462 1.00 0.00 N ATOM 234 CA GLY A 17 3.742 4.997 13.739 1.00 0.00 C ATOM 235 C GLY A 17 4.347 5.838 12.633 1.00 0.00 C ATOM 236 O GLY A 17 3.885 6.947 12.365 1.00 0.00 O ATOM 0 H GLY A 17 3.023 3.187 12.963 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.698 5.278 13.875 1.00 0.00 H new ATOM 0 HA3 GLY A 17 4.255 5.212 14.677 1.00 0.00 H new ATOM 240 N GLU A 18 5.384 5.310 11.989 1.00 0.00 N ATOM 241 CA GLU A 18 6.053 6.023 10.907 1.00 0.00 C ATOM 242 C GLU A 18 5.099 6.262 9.741 1.00 0.00 C ATOM 243 O GLU A 18 4.429 5.342 9.272 1.00 0.00 O ATOM 244 CB GLU A 18 7.275 5.236 10.428 1.00 0.00 C ATOM 245 CG GLU A 18 8.378 5.130 11.468 1.00 0.00 C ATOM 246 CD GLU A 18 9.715 4.748 10.863 1.00 0.00 C ATOM 247 OE1 GLU A 18 10.188 5.472 9.962 1.00 0.00 O ATOM 248 OE2 GLU A 18 10.288 3.725 11.292 1.00 0.00 O ATOM 0 H GLU A 18 5.778 4.393 12.198 1.00 0.00 H new ATOM 0 HA GLU A 18 6.379 6.990 11.290 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.961 4.233 10.141 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.676 5.713 9.533 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.477 6.084 11.986 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.097 4.389 12.216 1.00 0.00 H new ATOM 255 N LYS A 19 5.043 7.506 9.276 1.00 0.00 N ATOM 256 CA LYS A 19 4.172 7.869 8.165 1.00 0.00 C ATOM 257 C LYS A 19 4.974 8.492 7.026 1.00 0.00 C ATOM 258 O LYS A 19 5.889 9.281 7.259 1.00 0.00 O ATOM 259 CB LYS A 19 3.091 8.845 8.634 1.00 0.00 C ATOM 260 CG LYS A 19 2.401 8.417 9.918 1.00 0.00 C ATOM 261 CD LYS A 19 1.920 9.615 10.719 1.00 0.00 C ATOM 262 CE LYS A 19 0.830 9.224 11.705 1.00 0.00 C ATOM 263 NZ LYS A 19 -0.082 10.363 12.004 1.00 0.00 N ATOM 0 H LYS A 19 5.591 8.280 9.652 1.00 0.00 H new ATOM 0 HA LYS A 19 3.697 6.960 7.797 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.540 9.827 8.782 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.344 8.952 7.848 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.554 7.774 9.680 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.089 7.827 10.523 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.759 10.054 11.258 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.541 10.380 10.041 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.253 8.394 11.298 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.286 8.872 12.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.811 10.056 12.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.464 11.146 12.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.537 10.683 11.125 1.00 0.00 H new ATOM 277 N ARG A 20 4.623 8.133 5.796 1.00 0.00 N ATOM 278 CA ARG A 20 5.310 8.657 4.622 1.00 0.00 C ATOM 279 C ARG A 20 4.379 8.686 3.414 1.00 0.00 C ATOM 280 O ARG A 20 3.873 7.649 2.983 1.00 0.00 O ATOM 281 CB ARG A 20 6.545 7.811 4.307 1.00 0.00 C ATOM 282 CG ARG A 20 7.813 8.309 4.981 1.00 0.00 C ATOM 283 CD ARG A 20 8.327 9.582 4.328 1.00 0.00 C ATOM 284 NE ARG A 20 9.764 9.757 4.525 1.00 0.00 N ATOM 285 CZ ARG A 20 10.304 10.166 5.668 1.00 0.00 C ATOM 286 NH1 ARG A 20 9.531 10.439 6.710 1.00 0.00 N ATOM 287 NH2 ARG A 20 11.620 10.301 5.770 1.00 0.00 N ATOM 0 H ARG A 20 3.867 7.481 5.586 1.00 0.00 H new ATOM 0 HA ARG A 20 5.623 9.678 4.842 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.359 6.783 4.617 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.699 7.796 3.228 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.617 8.494 6.037 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.581 7.537 4.930 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.108 9.556 3.261 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.797 10.441 4.741 1.00 0.00 H new ATOM 0 HE ARG A 20 10.386 9.554 3.743 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.519 10.335 6.635 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.948 10.753 7.586 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.218 10.091 4.971 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.034 10.615 6.648 1.00 0.00 H new ATOM 301 N ILE A 21 4.155 9.879 2.873 1.00 0.00 N ATOM 302 CA ILE A 21 3.285 10.042 1.716 1.00 0.00 C ATOM 303 C ILE A 21 4.097 10.180 0.432 1.00 0.00 C ATOM 304 O ILE A 21 5.162 10.800 0.422 1.00 0.00 O ATOM 305 CB ILE A 21 2.372 11.273 1.867 1.00 0.00 C ATOM 306 CG1 ILE A 21 1.479 11.124 3.100 1.00 0.00 C ATOM 307 CG2 ILE A 21 1.529 11.464 0.615 1.00 0.00 C ATOM 308 CD1 ILE A 21 0.782 12.406 3.500 1.00 0.00 C ATOM 0 H ILE A 21 4.565 10.747 3.218 1.00 0.00 H new ATOM 0 HA ILE A 21 2.667 9.146 1.658 1.00 0.00 H new ATOM 0 HB ILE A 21 2.996 12.157 1.999 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.729 10.358 2.905 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.084 10.773 3.936 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.889 12.338 0.737 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.183 11.610 -0.245 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.910 10.581 0.455 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.166 12.226 4.381 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.526 13.169 3.727 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.151 12.748 2.680 1.00 0.00 H new ATOM 320 N LEU A 22 3.588 9.600 -0.649 1.00 0.00 N ATOM 321 CA LEU A 22 4.265 9.659 -1.940 1.00 0.00 C ATOM 322 C LEU A 22 3.317 10.149 -3.030 1.00 0.00 C ATOM 323 O LEU A 22 2.166 10.489 -2.757 1.00 0.00 O ATOM 324 CB LEU A 22 4.819 8.282 -2.311 1.00 0.00 C ATOM 325 CG LEU A 22 6.069 7.835 -1.552 1.00 0.00 C ATOM 326 CD1 LEU A 22 7.264 8.693 -1.939 1.00 0.00 C ATOM 327 CD2 LEU A 22 5.831 7.895 -0.050 1.00 0.00 C ATOM 0 H LEU A 22 2.709 9.083 -0.657 1.00 0.00 H new ATOM 0 HA LEU A 22 5.091 10.366 -1.858 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.036 7.542 -2.149 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.045 8.279 -3.377 1.00 0.00 H new ATOM 0 HG LEU A 22 6.286 6.802 -1.824 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.144 8.360 -1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.448 8.599 -3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.057 9.735 -1.697 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.731 7.573 0.474 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.588 8.917 0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.003 7.237 0.214 1.00 0.00 H new ATOM 339 N GLN A 23 3.809 10.181 -4.264 1.00 0.00 N ATOM 340 CA GLN A 23 3.005 10.628 -5.395 1.00 0.00 C ATOM 341 C GLN A 23 3.233 9.737 -6.611 1.00 0.00 C ATOM 342 O GLN A 23 4.319 9.726 -7.191 1.00 0.00 O ATOM 343 CB GLN A 23 3.338 12.080 -5.742 1.00 0.00 C ATOM 344 CG GLN A 23 2.618 13.095 -4.868 1.00 0.00 C ATOM 345 CD GLN A 23 2.511 14.458 -5.524 1.00 0.00 C ATOM 346 OE1 GLN A 23 3.513 15.044 -5.933 1.00 0.00 O ATOM 347 NE2 GLN A 23 1.290 14.970 -5.629 1.00 0.00 N ATOM 0 H GLN A 23 4.760 9.903 -4.506 1.00 0.00 H new ATOM 0 HA GLN A 23 1.955 10.561 -5.111 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.414 12.230 -5.648 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.081 12.264 -6.785 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.618 12.727 -4.639 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.147 13.193 -3.920 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.487 14.450 -5.276 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.156 15.884 -6.062 1.00 0.00 H new ATOM 356 N PHE A 24 2.202 8.990 -6.993 1.00 0.00 N ATOM 357 CA PHE A 24 2.290 8.094 -8.140 1.00 0.00 C ATOM 358 C PHE A 24 1.349 8.543 -9.254 1.00 0.00 C ATOM 359 O PHE A 24 0.126 8.475 -9.134 1.00 0.00 O ATOM 360 CB PHE A 24 1.956 6.661 -7.721 1.00 0.00 C ATOM 361 CG PHE A 24 2.861 6.123 -6.651 1.00 0.00 C ATOM 362 CD1 PHE A 24 2.592 6.361 -5.313 1.00 0.00 C ATOM 363 CD2 PHE A 24 3.981 5.377 -6.982 1.00 0.00 C ATOM 364 CE1 PHE A 24 3.424 5.868 -4.326 1.00 0.00 C ATOM 365 CE2 PHE A 24 4.817 4.880 -6.000 1.00 0.00 C ATOM 366 CZ PHE A 24 4.537 5.125 -4.670 1.00 0.00 C ATOM 0 H PHE A 24 1.296 8.988 -6.525 1.00 0.00 H new ATOM 0 HA PHE A 24 3.312 8.126 -8.517 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.926 6.626 -7.366 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.015 6.012 -8.595 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.722 6.939 -5.038 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.203 5.181 -8.021 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.205 6.063 -3.287 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.687 4.301 -6.272 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.187 4.736 -3.900 1.00 0.00 H new ATOM 376 N PRO A 25 1.933 9.014 -10.367 1.00 0.00 N ATOM 377 CA PRO A 25 1.166 9.483 -11.525 1.00 0.00 C ATOM 378 C PRO A 25 0.466 8.344 -12.257 1.00 0.00 C ATOM 379 O PRO A 25 1.112 7.510 -12.891 1.00 0.00 O ATOM 380 CB PRO A 25 2.232 10.119 -12.421 1.00 0.00 C ATOM 381 CG PRO A 25 3.500 9.434 -12.047 1.00 0.00 C ATOM 382 CD PRO A 25 3.386 9.123 -10.580 1.00 0.00 C ATOM 0 HA PRO A 25 0.368 10.167 -11.236 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.000 9.974 -13.476 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.299 11.194 -12.254 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.638 8.523 -12.629 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.361 10.072 -12.245 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.900 8.197 -10.324 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.824 9.911 -9.967 1.00 0.00 H new ATOM 390 N ARG A 26 -0.860 8.314 -12.165 1.00 0.00 N ATOM 391 CA ARG A 26 -1.648 7.276 -12.818 1.00 0.00 C ATOM 392 C ARG A 26 -1.241 7.124 -14.281 1.00 0.00 C ATOM 393 O ARG A 26 -0.870 8.088 -14.951 1.00 0.00 O ATOM 394 CB ARG A 26 -3.140 7.604 -12.724 1.00 0.00 C ATOM 395 CG ARG A 26 -3.725 7.386 -11.339 1.00 0.00 C ATOM 396 CD ARG A 26 -5.230 7.601 -11.329 1.00 0.00 C ATOM 397 NE ARG A 26 -5.581 9.006 -11.141 1.00 0.00 N ATOM 398 CZ ARG A 26 -6.817 9.478 -11.262 1.00 0.00 C ATOM 399 NH1 ARG A 26 -7.814 8.661 -11.570 1.00 0.00 N ATOM 400 NH2 ARG A 26 -7.057 10.769 -11.075 1.00 0.00 N ATOM 0 H ARG A 26 -1.411 8.997 -11.644 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.457 6.333 -12.306 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.294 8.643 -13.015 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.685 6.989 -13.440 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.499 6.374 -11.003 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.254 8.069 -10.632 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.653 7.244 -12.268 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.676 7.006 -10.532 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.836 9.661 -10.904 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.633 7.668 -11.715 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.762 9.026 -11.662 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.292 11.401 -10.838 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -8.006 11.130 -11.168 1.00 0.00 H new ATOM 414 N PRO A 27 -1.311 5.885 -14.789 1.00 0.00 N ATOM 415 CA PRO A 27 -1.751 4.730 -14.001 1.00 0.00 C ATOM 416 C PRO A 27 -0.738 4.339 -12.930 1.00 0.00 C ATOM 417 O PRO A 27 0.471 4.460 -13.131 1.00 0.00 O ATOM 418 CB PRO A 27 -1.882 3.617 -15.044 1.00 0.00 C ATOM 419 CG PRO A 27 -0.950 4.012 -16.138 1.00 0.00 C ATOM 420 CD PRO A 27 -0.966 5.516 -16.172 1.00 0.00 C ATOM 0 HA PRO A 27 -2.674 4.935 -13.458 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.612 2.648 -14.625 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.906 3.533 -15.407 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.056 3.636 -15.949 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.271 3.596 -17.093 1.00 0.00 H new ATOM 0 HD2 PRO A 27 0.002 5.922 -16.467 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.700 5.894 -16.884 1.00 0.00 H new ATOM 428 N VAL A 28 -1.238 3.870 -11.792 1.00 0.00 N ATOM 429 CA VAL A 28 -0.376 3.460 -10.689 1.00 0.00 C ATOM 430 C VAL A 28 0.034 1.998 -10.827 1.00 0.00 C ATOM 431 O VAL A 28 -0.765 1.152 -11.230 1.00 0.00 O ATOM 432 CB VAL A 28 -1.071 3.661 -9.329 1.00 0.00 C ATOM 433 CG1 VAL A 28 -0.124 3.317 -8.190 1.00 0.00 C ATOM 434 CG2 VAL A 28 -1.580 5.088 -9.197 1.00 0.00 C ATOM 0 H VAL A 28 -2.236 3.764 -11.609 1.00 0.00 H new ATOM 0 HA VAL A 28 0.513 4.089 -10.731 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.927 2.988 -9.275 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.632 3.465 -7.237 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.187 2.276 -8.277 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.753 3.963 -8.238 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.068 5.212 -8.230 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.742 5.781 -9.272 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.295 5.294 -9.994 1.00 0.00 H new ATOM 444 N LYS A 29 1.285 1.706 -10.489 1.00 0.00 N ATOM 445 CA LYS A 29 1.804 0.346 -10.573 1.00 0.00 C ATOM 446 C LYS A 29 2.004 -0.246 -9.181 1.00 0.00 C ATOM 447 O LYS A 29 2.630 0.370 -8.318 1.00 0.00 O ATOM 448 CB LYS A 29 3.127 0.329 -11.341 1.00 0.00 C ATOM 449 CG LYS A 29 3.023 0.903 -12.743 1.00 0.00 C ATOM 450 CD LYS A 29 2.332 -0.062 -13.692 1.00 0.00 C ATOM 451 CE LYS A 29 1.649 0.673 -14.835 1.00 0.00 C ATOM 452 NZ LYS A 29 0.777 -0.232 -15.634 1.00 0.00 N ATOM 0 H LYS A 29 1.959 2.394 -10.154 1.00 0.00 H new ATOM 0 HA LYS A 29 1.074 -0.263 -11.107 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.871 0.895 -10.780 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.488 -0.698 -11.403 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.471 1.842 -12.712 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.020 1.132 -13.118 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.062 -0.764 -14.094 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.595 -0.648 -13.143 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.052 1.492 -14.435 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.404 1.116 -15.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.330 0.307 -16.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.351 -1.000 -16.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.041 -0.636 -15.020 1.00 0.00 H new ATOM 466 N LEU A 30 1.470 -1.444 -8.971 1.00 0.00 N ATOM 467 CA LEU A 30 1.592 -2.121 -7.684 1.00 0.00 C ATOM 468 C LEU A 30 3.051 -2.206 -7.250 1.00 0.00 C ATOM 469 O LEU A 30 3.382 -1.935 -6.096 1.00 0.00 O ATOM 470 CB LEU A 30 0.989 -3.524 -7.765 1.00 0.00 C ATOM 471 CG LEU A 30 1.105 -4.378 -6.502 1.00 0.00 C ATOM 472 CD1 LEU A 30 0.314 -3.756 -5.361 1.00 0.00 C ATOM 473 CD2 LEU A 30 0.627 -5.798 -6.772 1.00 0.00 C ATOM 0 H LEU A 30 0.949 -1.967 -9.675 1.00 0.00 H new ATOM 0 HA LEU A 30 1.045 -1.540 -6.942 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.067 -3.430 -8.020 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.469 -4.057 -8.586 1.00 0.00 H new ATOM 0 HG LEU A 30 2.154 -4.418 -6.210 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.409 -4.378 -4.471 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.702 -2.759 -5.150 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.736 -3.684 -5.643 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.717 -6.391 -5.862 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.415 -5.777 -7.090 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.237 -6.244 -7.558 1.00 0.00 H new ATOM 485 N GLU A 31 3.920 -2.583 -8.182 1.00 0.00 N ATOM 486 CA GLU A 31 5.345 -2.702 -7.895 1.00 0.00 C ATOM 487 C GLU A 31 5.936 -1.351 -7.505 1.00 0.00 C ATOM 488 O GLU A 31 6.796 -1.267 -6.628 1.00 0.00 O ATOM 489 CB GLU A 31 6.087 -3.265 -9.109 1.00 0.00 C ATOM 490 CG GLU A 31 6.426 -2.217 -10.155 1.00 0.00 C ATOM 491 CD GLU A 31 7.735 -1.507 -9.868 1.00 0.00 C ATOM 492 OE1 GLU A 31 8.197 -1.562 -8.709 1.00 0.00 O ATOM 493 OE2 GLU A 31 8.298 -0.898 -10.801 1.00 0.00 O ATOM 0 H GLU A 31 3.663 -2.811 -9.142 1.00 0.00 H new ATOM 0 HA GLU A 31 5.465 -3.387 -7.056 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.008 -3.741 -8.773 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.476 -4.041 -9.570 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.482 -2.692 -11.135 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.622 -1.483 -10.202 1.00 0.00 H new ATOM 500 N ASP A 32 5.470 -0.296 -8.164 1.00 0.00 N ATOM 501 CA ASP A 32 5.951 1.053 -7.887 1.00 0.00 C ATOM 502 C ASP A 32 5.692 1.434 -6.433 1.00 0.00 C ATOM 503 O ASP A 32 6.571 1.966 -5.753 1.00 0.00 O ATOM 504 CB ASP A 32 5.277 2.060 -8.819 1.00 0.00 C ATOM 505 CG ASP A 32 5.998 2.194 -10.146 1.00 0.00 C ATOM 506 OD1 ASP A 32 6.631 1.209 -10.579 1.00 0.00 O ATOM 507 OD2 ASP A 32 5.928 3.284 -10.751 1.00 0.00 O ATOM 0 H ASP A 32 4.760 -0.349 -8.894 1.00 0.00 H new ATOM 0 HA ASP A 32 7.027 1.072 -8.063 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.247 1.752 -8.998 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.238 3.033 -8.330 1.00 0.00 H new ATOM 512 N LEU A 33 4.480 1.161 -5.962 1.00 0.00 N ATOM 513 CA LEU A 33 4.104 1.476 -4.588 1.00 0.00 C ATOM 514 C LEU A 33 5.053 0.810 -3.597 1.00 0.00 C ATOM 515 O LEU A 33 5.556 1.454 -2.675 1.00 0.00 O ATOM 516 CB LEU A 33 2.667 1.027 -4.316 1.00 0.00 C ATOM 517 CG LEU A 33 1.566 1.960 -4.821 1.00 0.00 C ATOM 518 CD1 LEU A 33 0.311 1.169 -5.159 1.00 0.00 C ATOM 519 CD2 LEU A 33 1.260 3.033 -3.786 1.00 0.00 C ATOM 0 H LEU A 33 3.741 0.722 -6.511 1.00 0.00 H new ATOM 0 HA LEU A 33 4.172 2.556 -4.458 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.522 0.047 -4.770 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.544 0.901 -3.240 1.00 0.00 H new ATOM 0 HG LEU A 33 1.918 2.450 -5.729 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.462 1.849 -5.517 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.539 0.438 -5.935 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.044 0.652 -4.268 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.474 3.688 -4.162 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.928 2.562 -2.861 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.159 3.619 -3.592 1.00 0.00 H new ATOM 531 N ARG A 34 5.296 -0.481 -3.794 1.00 0.00 N ATOM 532 CA ARG A 34 6.186 -1.234 -2.919 1.00 0.00 C ATOM 533 C ARG A 34 7.614 -0.702 -3.007 1.00 0.00 C ATOM 534 O ARG A 34 8.258 -0.454 -1.988 1.00 0.00 O ATOM 535 CB ARG A 34 6.160 -2.719 -3.285 1.00 0.00 C ATOM 536 CG ARG A 34 4.760 -3.305 -3.355 1.00 0.00 C ATOM 537 CD ARG A 34 4.795 -4.819 -3.496 1.00 0.00 C ATOM 538 NE ARG A 34 5.013 -5.482 -2.213 1.00 0.00 N ATOM 539 CZ ARG A 34 4.914 -6.795 -2.039 1.00 0.00 C ATOM 540 NH1 ARG A 34 4.601 -7.581 -3.060 1.00 0.00 N ATOM 541 NH2 ARG A 34 5.127 -7.325 -0.841 1.00 0.00 N ATOM 0 H ARG A 34 4.889 -1.028 -4.553 1.00 0.00 H new ATOM 0 HA ARG A 34 5.834 -1.113 -1.894 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.650 -2.855 -4.249 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.741 -3.276 -2.550 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.206 -3.035 -2.456 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.225 -2.872 -4.200 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.856 -5.165 -3.928 1.00 0.00 H new ATOM 0 HD3 ARG A 34 5.588 -5.101 -4.189 1.00 0.00 H new ATOM 0 HE ARG A 34 5.254 -4.905 -1.407 1.00 0.00 H new ATOM 0 HH11 ARG A 34 4.436 -7.178 -3.982 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.526 -8.589 -2.923 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.367 -6.724 -0.053 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.051 -8.333 -0.709 1.00 0.00 H new ATOM 555 N SER A 35 8.101 -0.530 -4.232 1.00 0.00 N ATOM 556 CA SER A 35 9.453 -0.032 -4.453 1.00 0.00 C ATOM 557 C SER A 35 9.738 1.179 -3.570 1.00 0.00 C ATOM 558 O SER A 35 10.710 1.198 -2.815 1.00 0.00 O ATOM 559 CB SER A 35 9.648 0.339 -5.925 1.00 0.00 C ATOM 560 OG SER A 35 11.003 0.193 -6.312 1.00 0.00 O ATOM 0 H SER A 35 7.579 -0.728 -5.086 1.00 0.00 H new ATOM 0 HA SER A 35 10.153 -0.825 -4.189 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.018 -0.294 -6.550 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.328 1.368 -6.089 1.00 0.00 H new ATOM 0 HG SER A 35 11.101 0.434 -7.257 1.00 0.00 H new ATOM 566 N LYS A 36 8.882 2.190 -3.670 1.00 0.00 N ATOM 567 CA LYS A 36 9.037 3.406 -2.880 1.00 0.00 C ATOM 568 C LYS A 36 9.077 3.085 -1.389 1.00 0.00 C ATOM 569 O LYS A 36 10.080 3.328 -0.719 1.00 0.00 O ATOM 570 CB LYS A 36 7.894 4.379 -3.173 1.00 0.00 C ATOM 571 CG LYS A 36 7.809 4.797 -4.631 1.00 0.00 C ATOM 572 CD LYS A 36 9.031 5.594 -5.055 1.00 0.00 C ATOM 573 CE LYS A 36 9.087 6.943 -4.353 1.00 0.00 C ATOM 574 NZ LYS A 36 10.214 7.780 -4.850 1.00 0.00 N ATOM 0 H LYS A 36 8.073 2.191 -4.291 1.00 0.00 H new ATOM 0 HA LYS A 36 9.982 3.872 -3.159 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.951 3.917 -2.881 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.018 5.269 -2.555 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.715 3.911 -5.259 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.911 5.395 -4.787 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.934 5.027 -4.828 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.012 5.745 -6.134 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.146 7.472 -4.507 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.194 6.790 -3.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.218 8.691 -4.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.114 7.287 -4.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.098 7.948 -5.870 1.00 0.00 H new ATOM 588 N ALA A 37 7.979 2.538 -0.877 1.00 0.00 N ATOM 589 CA ALA A 37 7.890 2.181 0.533 1.00 0.00 C ATOM 590 C ALA A 37 9.130 1.418 0.986 1.00 0.00 C ATOM 591 O ALA A 37 9.500 1.454 2.159 1.00 0.00 O ATOM 592 CB ALA A 37 6.637 1.357 0.791 1.00 0.00 C ATOM 0 H ALA A 37 7.139 2.333 -1.418 1.00 0.00 H new ATOM 0 HA ALA A 37 7.831 3.102 1.112 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.584 1.097 1.848 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.757 1.937 0.515 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.672 0.445 0.195 1.00 0.00 H new ATOM 598 N LYS A 38 9.768 0.727 0.048 1.00 0.00 N ATOM 599 CA LYS A 38 10.968 -0.046 0.349 1.00 0.00 C ATOM 600 C LYS A 38 12.198 0.855 0.395 1.00 0.00 C ATOM 601 O LYS A 38 13.146 0.590 1.135 1.00 0.00 O ATOM 602 CB LYS A 38 11.167 -1.146 -0.696 1.00 0.00 C ATOM 603 CG LYS A 38 12.244 -2.150 -0.324 1.00 0.00 C ATOM 604 CD LYS A 38 12.417 -3.207 -1.402 1.00 0.00 C ATOM 605 CE LYS A 38 13.838 -3.748 -1.429 1.00 0.00 C ATOM 606 NZ LYS A 38 14.030 -4.747 -2.517 1.00 0.00 N ATOM 0 H LYS A 38 9.474 0.686 -0.928 1.00 0.00 H new ATOM 0 HA LYS A 38 10.838 -0.504 1.329 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.224 -1.674 -0.840 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.424 -0.687 -1.650 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.189 -1.630 -0.168 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.985 -2.630 0.620 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.718 -4.025 -1.226 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.170 -2.780 -2.374 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.538 -2.924 -1.565 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.070 -4.208 -0.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.011 -5.092 -2.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 13.380 -5.546 -2.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.833 -4.302 -3.436 1.00 0.00 H new ATOM 620 N ILE A 39 12.175 1.921 -0.399 1.00 0.00 N ATOM 621 CA ILE A 39 13.287 2.861 -0.446 1.00 0.00 C ATOM 622 C ILE A 39 13.207 3.866 0.698 1.00 0.00 C ATOM 623 O ILE A 39 14.226 4.260 1.265 1.00 0.00 O ATOM 624 CB ILE A 39 13.322 3.625 -1.783 1.00 0.00 C ATOM 625 CG1 ILE A 39 13.414 2.644 -2.954 1.00 0.00 C ATOM 626 CG2 ILE A 39 14.492 4.598 -1.807 1.00 0.00 C ATOM 627 CD1 ILE A 39 12.771 3.156 -4.223 1.00 0.00 C ATOM 0 H ILE A 39 11.399 2.154 -1.018 1.00 0.00 H new ATOM 0 HA ILE A 39 14.200 2.274 -0.348 1.00 0.00 H new ATOM 0 HB ILE A 39 12.398 4.195 -1.883 1.00 0.00 H new ATOM 0 HG12 ILE A 39 14.463 2.424 -3.151 1.00 0.00 H new ATOM 0 HG13 ILE A 39 12.939 1.705 -2.669 1.00 0.00 H new ATOM 0 HG21 ILE A 39 14.503 5.130 -2.758 1.00 0.00 H new ATOM 0 HG22 ILE A 39 14.387 5.314 -0.992 1.00 0.00 H new ATOM 0 HG23 ILE A 39 15.425 4.048 -1.688 1.00 0.00 H new ATOM 0 HD11 ILE A 39 12.874 2.409 -5.010 1.00 0.00 H new ATOM 0 HD12 ILE A 39 11.714 3.349 -4.043 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.261 4.079 -4.532 1.00 0.00 H new ATOM 639 N ALA A 40 11.988 4.275 1.035 1.00 0.00 N ATOM 640 CA ALA A 40 11.774 5.230 2.115 1.00 0.00 C ATOM 641 C ALA A 40 12.168 4.634 3.462 1.00 0.00 C ATOM 642 O ALA A 40 12.867 5.267 4.252 1.00 0.00 O ATOM 643 CB ALA A 40 10.321 5.681 2.140 1.00 0.00 C ATOM 0 H ALA A 40 11.134 3.960 0.575 1.00 0.00 H new ATOM 0 HA ALA A 40 12.409 6.096 1.931 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.175 6.394 2.951 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.071 6.155 1.191 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.675 4.817 2.296 1.00 0.00 H new ATOM 649 N PHE A 41 11.713 3.411 3.718 1.00 0.00 N ATOM 650 CA PHE A 41 12.017 2.730 4.971 1.00 0.00 C ATOM 651 C PHE A 41 13.305 1.919 4.851 1.00 0.00 C ATOM 652 O PHE A 41 14.123 1.894 5.770 1.00 0.00 O ATOM 653 CB PHE A 41 10.860 1.813 5.371 1.00 0.00 C ATOM 654 CG PHE A 41 9.649 2.554 5.860 1.00 0.00 C ATOM 655 CD1 PHE A 41 8.873 3.295 4.983 1.00 0.00 C ATOM 656 CD2 PHE A 41 9.287 2.511 7.197 1.00 0.00 C ATOM 657 CE1 PHE A 41 7.757 3.979 5.430 1.00 0.00 C ATOM 658 CE2 PHE A 41 8.172 3.192 7.649 1.00 0.00 C ATOM 659 CZ PHE A 41 7.408 3.928 6.765 1.00 0.00 C ATOM 0 H PHE A 41 11.133 2.872 3.075 1.00 0.00 H new ATOM 0 HA PHE A 41 12.155 3.487 5.743 1.00 0.00 H new ATOM 0 HB2 PHE A 41 10.580 1.200 4.514 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.200 1.133 6.152 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.143 3.339 3.938 1.00 0.00 H new ATOM 0 HD2 PHE A 41 9.882 1.939 7.893 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.160 4.552 4.736 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.899 3.148 8.693 1.00 0.00 H new ATOM 0 HZ PHE A 41 6.539 4.463 7.117 1.00 0.00 H new ATOM 669 N GLY A 42 13.477 1.258 3.711 1.00 0.00 N ATOM 670 CA GLY A 42 14.665 0.455 3.491 1.00 0.00 C ATOM 671 C GLY A 42 14.478 -0.987 3.919 1.00 0.00 C ATOM 672 O GLY A 42 15.367 -1.580 4.530 1.00 0.00 O ATOM 0 H GLY A 42 12.814 1.264 2.935 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.930 0.486 2.434 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.500 0.889 4.041 1.00 0.00 H new ATOM 676 N GLN A 43 13.319 -1.552 3.598 1.00 0.00 N ATOM 677 CA GLN A 43 13.018 -2.933 3.956 1.00 0.00 C ATOM 678 C GLN A 43 11.779 -3.429 3.217 1.00 0.00 C ATOM 679 O GLN A 43 10.878 -2.651 2.904 1.00 0.00 O ATOM 680 CB GLN A 43 12.810 -3.058 5.466 1.00 0.00 C ATOM 681 CG GLN A 43 14.091 -3.333 6.236 1.00 0.00 C ATOM 682 CD GLN A 43 13.842 -4.060 7.543 1.00 0.00 C ATOM 683 OE1 GLN A 43 14.275 -5.197 7.727 1.00 0.00 O ATOM 684 NE2 GLN A 43 13.141 -3.404 8.460 1.00 0.00 N ATOM 0 H GLN A 43 12.573 -1.075 3.091 1.00 0.00 H new ATOM 0 HA GLN A 43 13.866 -3.551 3.662 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.362 -2.138 5.840 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.099 -3.861 5.661 1.00 0.00 H new ATOM 0 HG2 GLN A 43 14.762 -3.927 5.616 1.00 0.00 H new ATOM 0 HG3 GLN A 43 14.597 -2.390 6.440 1.00 0.00 H new ATOM 0 HE21 GLN A 43 12.801 -2.462 8.265 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.942 -3.842 9.360 1.00 0.00 H new ATOM 693 N SER A 44 11.740 -4.729 2.942 1.00 0.00 N ATOM 694 CA SER A 44 10.614 -5.328 2.237 1.00 0.00 C ATOM 695 C SER A 44 9.405 -5.462 3.159 1.00 0.00 C ATOM 696 O SER A 44 9.454 -6.169 4.165 1.00 0.00 O ATOM 697 CB SER A 44 11.002 -6.701 1.684 1.00 0.00 C ATOM 698 OG SER A 44 11.564 -6.588 0.388 1.00 0.00 O ATOM 0 H SER A 44 12.476 -5.387 3.197 1.00 0.00 H new ATOM 0 HA SER A 44 10.347 -4.673 1.408 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.718 -7.177 2.354 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.122 -7.344 1.648 1.00 0.00 H new ATOM 0 HG SER A 44 11.805 -7.478 0.057 1.00 0.00 H new ATOM 704 N MET A 45 8.321 -4.778 2.806 1.00 0.00 N ATOM 705 CA MET A 45 7.099 -4.822 3.600 1.00 0.00 C ATOM 706 C MET A 45 5.867 -4.832 2.701 1.00 0.00 C ATOM 707 O MET A 45 5.836 -4.166 1.666 1.00 0.00 O ATOM 708 CB MET A 45 7.041 -3.624 4.551 1.00 0.00 C ATOM 709 CG MET A 45 7.374 -2.300 3.882 1.00 0.00 C ATOM 710 SD MET A 45 7.903 -1.041 5.059 1.00 0.00 S ATOM 711 CE MET A 45 9.153 -1.938 5.976 1.00 0.00 C ATOM 0 H MET A 45 8.264 -4.187 1.976 1.00 0.00 H new ATOM 0 HA MET A 45 7.108 -5.742 4.185 1.00 0.00 H new ATOM 0 HB2 MET A 45 6.042 -3.562 4.984 1.00 0.00 H new ATOM 0 HB3 MET A 45 7.735 -3.790 5.375 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.162 -2.458 3.146 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.499 -1.941 3.340 1.00 0.00 H new ATOM 0 HE1 MET A 45 9.981 -1.269 6.212 1.00 0.00 H new ATOM 0 HE2 MET A 45 8.721 -2.321 6.900 1.00 0.00 H new ATOM 0 HE3 MET A 45 9.519 -2.770 5.374 1.00 0.00 H new ATOM 721 N ASP A 46 4.854 -5.592 3.103 1.00 0.00 N ATOM 722 CA ASP A 46 3.619 -5.689 2.334 1.00 0.00 C ATOM 723 C ASP A 46 2.847 -4.374 2.377 1.00 0.00 C ATOM 724 O ASP A 46 3.106 -3.517 3.224 1.00 0.00 O ATOM 725 CB ASP A 46 2.746 -6.825 2.871 1.00 0.00 C ATOM 726 CG ASP A 46 3.079 -8.161 2.236 1.00 0.00 C ATOM 727 OD1 ASP A 46 2.626 -8.406 1.099 1.00 0.00 O ATOM 728 OD2 ASP A 46 3.792 -8.961 2.877 1.00 0.00 O ATOM 0 H ASP A 46 4.864 -6.150 3.957 1.00 0.00 H new ATOM 0 HA ASP A 46 3.882 -5.902 1.298 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.873 -6.898 3.951 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.697 -6.591 2.689 1.00 0.00 H new ATOM 733 N LEU A 47 1.900 -4.219 1.459 1.00 0.00 N ATOM 734 CA LEU A 47 1.091 -3.007 1.391 1.00 0.00 C ATOM 735 C LEU A 47 -0.384 -3.324 1.615 1.00 0.00 C ATOM 736 O LEU A 47 -1.055 -3.866 0.736 1.00 0.00 O ATOM 737 CB LEU A 47 1.276 -2.322 0.036 1.00 0.00 C ATOM 738 CG LEU A 47 2.428 -1.320 -0.058 1.00 0.00 C ATOM 739 CD1 LEU A 47 3.759 -2.013 0.189 1.00 0.00 C ATOM 740 CD2 LEU A 47 2.426 -0.631 -1.415 1.00 0.00 C ATOM 0 H LEU A 47 1.673 -4.917 0.751 1.00 0.00 H new ATOM 0 HA LEU A 47 1.423 -2.333 2.181 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.428 -3.092 -0.720 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.350 -1.805 -0.217 1.00 0.00 H new ATOM 0 HG LEU A 47 2.289 -0.561 0.712 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.567 -1.285 0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.758 -2.459 1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.907 -2.793 -0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.252 0.078 -1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.541 -1.377 -2.202 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.484 -0.101 -1.552 1.00 0.00 H new ATOM 752 N HIS A 48 -0.885 -2.981 2.798 1.00 0.00 N ATOM 753 CA HIS A 48 -2.282 -3.226 3.138 1.00 0.00 C ATOM 754 C HIS A 48 -3.057 -1.915 3.230 1.00 0.00 C ATOM 755 O HIS A 48 -2.845 -1.120 4.146 1.00 0.00 O ATOM 756 CB HIS A 48 -2.381 -3.985 4.461 1.00 0.00 C ATOM 757 CG HIS A 48 -1.905 -5.402 4.376 1.00 0.00 C ATOM 758 ND1 HIS A 48 -0.819 -5.787 3.620 1.00 0.00 N ATOM 759 CD2 HIS A 48 -2.374 -6.530 4.960 1.00 0.00 C ATOM 760 CE1 HIS A 48 -0.640 -7.091 3.741 1.00 0.00 C ATOM 761 NE2 HIS A 48 -1.571 -7.565 4.549 1.00 0.00 N ATOM 0 H HIS A 48 -0.344 -2.532 3.537 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.722 -3.832 2.346 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.797 -3.459 5.217 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -3.418 -3.978 4.797 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.222 -6.602 5.625 1.00 0.00 H new ATOM 0 HE1 HIS A 48 0.135 -7.670 3.261 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -1.676 -8.542 4.823 1.00 0.00 H new ATOM 770 N TYR A 49 -3.953 -1.695 2.274 1.00 0.00 N ATOM 771 CA TYR A 49 -4.757 -0.479 2.246 1.00 0.00 C ATOM 772 C TYR A 49 -6.184 -0.759 2.707 1.00 0.00 C ATOM 773 O TYR A 49 -6.857 -1.646 2.182 1.00 0.00 O ATOM 774 CB TYR A 49 -4.772 0.115 0.836 1.00 0.00 C ATOM 775 CG TYR A 49 -5.924 -0.372 -0.014 1.00 0.00 C ATOM 776 CD1 TYR A 49 -5.830 -1.558 -0.732 1.00 0.00 C ATOM 777 CD2 TYR A 49 -7.105 0.355 -0.100 1.00 0.00 C ATOM 778 CE1 TYR A 49 -6.880 -2.006 -1.510 1.00 0.00 C ATOM 779 CE2 TYR A 49 -8.160 -0.086 -0.875 1.00 0.00 C ATOM 780 CZ TYR A 49 -8.043 -1.267 -1.578 1.00 0.00 C ATOM 781 OH TYR A 49 -9.091 -1.709 -2.352 1.00 0.00 O ATOM 0 H TYR A 49 -4.141 -2.343 1.509 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.307 0.240 2.931 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.819 1.202 0.909 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.834 -0.130 0.337 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.921 -2.139 -0.681 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.200 1.281 0.448 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.791 -2.930 -2.062 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.071 0.491 -0.930 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.916 -1.695 -1.824 1.00 0.00 H new ATOM 791 N THR A 50 -6.641 0.006 3.693 1.00 0.00 N ATOM 792 CA THR A 50 -7.988 -0.157 4.227 1.00 0.00 C ATOM 793 C THR A 50 -8.966 0.799 3.555 1.00 0.00 C ATOM 794 O THR A 50 -8.815 2.017 3.639 1.00 0.00 O ATOM 795 CB THR A 50 -8.021 0.078 5.749 1.00 0.00 C ATOM 796 OG1 THR A 50 -7.702 1.443 6.041 1.00 0.00 O ATOM 797 CG2 THR A 50 -7.040 -0.842 6.460 1.00 0.00 C ATOM 0 H THR A 50 -6.098 0.745 4.139 1.00 0.00 H new ATOM 0 HA THR A 50 -8.288 -1.184 4.019 1.00 0.00 H new ATOM 0 HB THR A 50 -9.026 -0.144 6.107 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.860 1.993 5.246 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.081 -0.658 7.534 1.00 0.00 H new ATOM 0 HG22 THR A 50 -7.304 -1.880 6.260 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.031 -0.648 6.097 1.00 0.00 H new ATOM 805 N ASN A 51 -9.970 0.239 2.887 1.00 0.00 N ATOM 806 CA ASN A 51 -10.973 1.044 2.200 1.00 0.00 C ATOM 807 C ASN A 51 -11.765 1.890 3.193 1.00 0.00 C ATOM 808 O ASN A 51 -11.629 3.111 3.230 1.00 0.00 O ATOM 809 CB ASN A 51 -11.924 0.144 1.408 1.00 0.00 C ATOM 810 CG ASN A 51 -13.076 0.916 0.796 1.00 0.00 C ATOM 811 OD1 ASN A 51 -13.547 1.903 1.362 1.00 0.00 O ATOM 812 ND2 ASN A 51 -13.537 0.469 -0.367 1.00 0.00 N ATOM 0 H ASN A 51 -10.110 -0.768 2.807 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.457 1.712 1.511 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -11.368 -0.361 0.618 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -12.318 -0.631 2.065 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -14.312 0.948 -0.827 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -13.116 -0.353 -0.800 1.00 0.00 H new ATOM 819 N ASN A 52 -12.594 1.229 3.995 1.00 0.00 N ATOM 820 CA ASN A 52 -13.408 1.920 4.989 1.00 0.00 C ATOM 821 C ASN A 52 -13.112 1.399 6.392 1.00 0.00 C ATOM 822 O ASN A 52 -12.703 2.157 7.271 1.00 0.00 O ATOM 823 CB ASN A 52 -14.894 1.745 4.671 1.00 0.00 C ATOM 824 CG ASN A 52 -15.756 2.800 5.338 1.00 0.00 C ATOM 825 OD1 ASN A 52 -15.247 3.716 5.983 1.00 0.00 O ATOM 826 ND2 ASN A 52 -17.069 2.674 5.186 1.00 0.00 N ATOM 0 H ASN A 52 -12.720 0.217 3.976 1.00 0.00 H new ATOM 0 HA ASN A 52 -13.158 2.980 4.954 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -15.040 1.790 3.592 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -15.218 0.756 4.996 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -17.699 3.353 5.613 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -17.447 1.898 4.642 1.00 0.00 H new ATOM 833 N GLU A 53 -13.321 0.102 6.592 1.00 0.00 N ATOM 834 CA GLU A 53 -13.077 -0.519 7.889 1.00 0.00 C ATOM 835 C GLU A 53 -12.241 -1.787 7.736 1.00 0.00 C ATOM 836 O GLU A 53 -11.461 -2.140 8.621 1.00 0.00 O ATOM 837 CB GLU A 53 -14.402 -0.849 8.579 1.00 0.00 C ATOM 838 CG GLU A 53 -15.477 -1.346 7.627 1.00 0.00 C ATOM 839 CD GLU A 53 -16.444 -2.307 8.291 1.00 0.00 C ATOM 840 OE1 GLU A 53 -15.978 -3.299 8.889 1.00 0.00 O ATOM 841 OE2 GLU A 53 -17.667 -2.067 8.212 1.00 0.00 O ATOM 0 H GLU A 53 -13.658 -0.539 5.874 1.00 0.00 H new ATOM 0 HA GLU A 53 -12.522 0.190 8.504 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -14.226 -1.607 9.342 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.766 0.041 9.092 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -16.030 -0.494 7.233 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -15.005 -1.840 6.778 1.00 0.00 H new ATOM 848 N LEU A 54 -12.411 -2.467 6.608 1.00 0.00 N ATOM 849 CA LEU A 54 -11.673 -3.697 6.338 1.00 0.00 C ATOM 850 C LEU A 54 -10.273 -3.388 5.816 1.00 0.00 C ATOM 851 O LEU A 54 -9.902 -2.226 5.653 1.00 0.00 O ATOM 852 CB LEU A 54 -12.430 -4.556 5.324 1.00 0.00 C ATOM 853 CG LEU A 54 -13.630 -5.333 5.866 1.00 0.00 C ATOM 854 CD1 LEU A 54 -14.319 -6.099 4.747 1.00 0.00 C ATOM 855 CD2 LEU A 54 -13.195 -6.281 6.974 1.00 0.00 C ATOM 0 H LEU A 54 -13.053 -2.188 5.866 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.578 -4.249 7.273 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -12.775 -3.910 4.517 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.730 -5.267 4.886 1.00 0.00 H new ATOM 0 HG LEU A 54 -14.342 -4.621 6.283 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.171 -6.646 5.151 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.665 -5.399 3.986 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -13.616 -6.802 4.300 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.062 -6.826 7.348 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -12.464 -6.988 6.582 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.747 -5.709 7.787 1.00 0.00 H new ATOM 867 N VAL A 55 -9.501 -4.437 5.552 1.00 0.00 N ATOM 868 CA VAL A 55 -8.143 -4.279 5.045 1.00 0.00 C ATOM 869 C VAL A 55 -7.914 -5.141 3.809 1.00 0.00 C ATOM 870 O VAL A 55 -8.223 -6.333 3.805 1.00 0.00 O ATOM 871 CB VAL A 55 -7.098 -4.648 6.115 1.00 0.00 C ATOM 872 CG1 VAL A 55 -5.690 -4.424 5.586 1.00 0.00 C ATOM 873 CG2 VAL A 55 -7.332 -3.847 7.387 1.00 0.00 C ATOM 0 H VAL A 55 -9.793 -5.406 5.681 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.025 -3.229 4.779 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.207 -5.706 6.354 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.966 -4.690 6.356 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.529 -5.046 4.706 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.565 -3.375 5.317 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.585 -4.121 8.132 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.252 -2.783 7.167 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.327 -4.063 7.775 1.00 0.00 H new ATOM 883 N ILE A 56 -7.371 -4.530 2.761 1.00 0.00 N ATOM 884 CA ILE A 56 -7.099 -5.242 1.519 1.00 0.00 C ATOM 885 C ILE A 56 -5.604 -5.276 1.220 1.00 0.00 C ATOM 886 O ILE A 56 -5.002 -4.277 0.826 1.00 0.00 O ATOM 887 CB ILE A 56 -7.835 -4.598 0.329 1.00 0.00 C ATOM 888 CG1 ILE A 56 -9.280 -4.272 0.710 1.00 0.00 C ATOM 889 CG2 ILE A 56 -7.796 -5.522 -0.880 1.00 0.00 C ATOM 890 CD1 ILE A 56 -9.438 -2.927 1.384 1.00 0.00 C ATOM 0 H ILE A 56 -7.111 -3.544 2.748 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.463 -6.261 1.653 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.330 -3.668 0.069 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -9.898 -4.294 -0.188 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.656 -5.049 1.375 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.320 -5.054 -1.713 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.760 -5.709 -1.162 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -8.280 -6.466 -0.632 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -10.488 -2.762 1.626 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -8.847 -2.907 2.300 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.093 -2.141 0.713 1.00 0.00 H new ATOM 902 N PRO A 57 -4.989 -6.452 1.410 1.00 0.00 N ATOM 903 CA PRO A 57 -3.557 -6.646 1.164 1.00 0.00 C ATOM 904 C PRO A 57 -3.211 -6.593 -0.320 1.00 0.00 C ATOM 905 O PRO A 57 -3.424 -7.560 -1.052 1.00 0.00 O ATOM 906 CB PRO A 57 -3.286 -8.043 1.727 1.00 0.00 C ATOM 907 CG PRO A 57 -4.599 -8.742 1.653 1.00 0.00 C ATOM 908 CD PRO A 57 -5.645 -7.685 1.878 1.00 0.00 C ATOM 0 HA PRO A 57 -2.955 -5.862 1.624 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.527 -8.564 1.144 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.922 -7.993 2.753 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.731 -9.222 0.683 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.667 -9.525 2.408 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.555 -7.894 1.316 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.928 -7.616 2.928 1.00 0.00 H new ATOM 916 N LEU A 58 -2.675 -5.459 -0.758 1.00 0.00 N ATOM 917 CA LEU A 58 -2.299 -5.280 -2.156 1.00 0.00 C ATOM 918 C LEU A 58 -1.203 -6.264 -2.554 1.00 0.00 C ATOM 919 O LEU A 58 -0.028 -6.060 -2.248 1.00 0.00 O ATOM 920 CB LEU A 58 -1.825 -3.846 -2.397 1.00 0.00 C ATOM 921 CG LEU A 58 -2.923 -2.801 -2.601 1.00 0.00 C ATOM 922 CD1 LEU A 58 -2.461 -1.438 -2.111 1.00 0.00 C ATOM 923 CD2 LEU A 58 -3.328 -2.734 -4.067 1.00 0.00 C ATOM 0 H LEU A 58 -2.491 -4.650 -0.165 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.177 -5.474 -2.772 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.213 -3.540 -1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.179 -3.841 -3.275 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.794 -3.097 -2.016 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.255 -0.708 -2.264 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.221 -1.495 -1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.575 -1.132 -2.667 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.110 -1.986 -4.195 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.463 -2.461 -4.671 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.701 -3.707 -4.386 1.00 0.00 H new ATOM 935 N THR A 59 -1.596 -7.332 -3.242 1.00 0.00 N ATOM 936 CA THR A 59 -0.648 -8.347 -3.684 1.00 0.00 C ATOM 937 C THR A 59 -0.526 -8.361 -5.204 1.00 0.00 C ATOM 938 O THR A 59 0.576 -8.422 -5.749 1.00 0.00 O ATOM 939 CB THR A 59 -1.061 -9.750 -3.201 1.00 0.00 C ATOM 940 OG1 THR A 59 -2.413 -10.023 -3.588 1.00 0.00 O ATOM 941 CG2 THR A 59 -0.928 -9.862 -1.690 1.00 0.00 C ATOM 0 H THR A 59 -2.564 -7.516 -3.505 1.00 0.00 H new ATOM 0 HA THR A 59 0.317 -8.090 -3.247 1.00 0.00 H new ATOM 0 HB THR A 59 -0.397 -10.480 -3.664 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.668 -10.917 -3.279 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.225 -10.861 -1.372 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.108 -9.682 -1.402 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.571 -9.123 -1.212 1.00 0.00 H new ATOM 949 N THR A 60 -1.667 -8.303 -5.885 1.00 0.00 N ATOM 950 CA THR A 60 -1.688 -8.309 -7.342 1.00 0.00 C ATOM 951 C THR A 60 -2.166 -6.970 -7.891 1.00 0.00 C ATOM 952 O THR A 60 -2.891 -6.237 -7.218 1.00 0.00 O ATOM 953 CB THR A 60 -2.596 -9.428 -7.886 1.00 0.00 C ATOM 954 OG1 THR A 60 -3.948 -9.208 -7.469 1.00 0.00 O ATOM 955 CG2 THR A 60 -2.126 -10.791 -7.400 1.00 0.00 C ATOM 0 H THR A 60 -2.588 -8.251 -5.450 1.00 0.00 H new ATOM 0 HA THR A 60 -0.665 -8.489 -7.672 1.00 0.00 H new ATOM 0 HB THR A 60 -2.544 -9.410 -8.975 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.961 -8.576 -6.720 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.783 -11.565 -7.797 1.00 0.00 H new ATOM 0 HG22 THR A 60 -1.107 -10.968 -7.744 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.151 -10.817 -6.311 1.00 0.00 H new ATOM 963 N GLN A 61 -1.757 -6.658 -9.116 1.00 0.00 N ATOM 964 CA GLN A 61 -2.145 -5.406 -9.755 1.00 0.00 C ATOM 965 C GLN A 61 -3.660 -5.226 -9.725 1.00 0.00 C ATOM 966 O GLN A 61 -4.161 -4.158 -9.373 1.00 0.00 O ATOM 967 CB GLN A 61 -1.643 -5.368 -11.199 1.00 0.00 C ATOM 968 CG GLN A 61 -2.124 -4.155 -11.979 1.00 0.00 C ATOM 969 CD GLN A 61 -1.213 -2.955 -11.812 1.00 0.00 C ATOM 970 OE1 GLN A 61 -1.751 -1.875 -11.259 1.00 0.00 O flip ATOM 971 NE2 GLN A 61 -0.037 -2.998 -12.177 1.00 0.00 N flip ATOM 0 H GLN A 61 -1.157 -7.255 -9.686 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.689 -4.587 -9.199 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.553 -5.379 -11.196 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -1.970 -6.272 -11.712 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.191 -4.411 -13.036 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -3.129 -3.892 -11.650 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.336 -3.849 -12.598 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.564 -2.182 -12.059 1.00 0.00 H new ATOM 980 N ASP A 62 -4.382 -6.277 -10.098 1.00 0.00 N ATOM 981 CA ASP A 62 -5.840 -6.235 -10.113 1.00 0.00 C ATOM 982 C ASP A 62 -6.376 -5.498 -8.890 1.00 0.00 C ATOM 983 O ASP A 62 -7.287 -4.677 -8.998 1.00 0.00 O ATOM 984 CB ASP A 62 -6.411 -7.653 -10.160 1.00 0.00 C ATOM 985 CG ASP A 62 -7.839 -7.686 -10.668 1.00 0.00 C ATOM 986 OD1 ASP A 62 -8.036 -7.547 -11.893 1.00 0.00 O ATOM 987 OD2 ASP A 62 -8.759 -7.851 -9.840 1.00 0.00 O ATOM 0 H ASP A 62 -3.982 -7.168 -10.394 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.154 -5.695 -11.006 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.785 -8.272 -10.803 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.373 -8.090 -9.162 1.00 0.00 H new ATOM 992 N ASP A 63 -5.805 -5.797 -7.729 1.00 0.00 N ATOM 993 CA ASP A 63 -6.226 -5.162 -6.485 1.00 0.00 C ATOM 994 C ASP A 63 -5.963 -3.660 -6.525 1.00 0.00 C ATOM 995 O ASP A 63 -6.848 -2.856 -6.227 1.00 0.00 O ATOM 996 CB ASP A 63 -5.495 -5.788 -5.296 1.00 0.00 C ATOM 997 CG ASP A 63 -5.861 -7.245 -5.093 1.00 0.00 C ATOM 998 OD1 ASP A 63 -7.013 -7.518 -4.693 1.00 0.00 O ATOM 999 OD2 ASP A 63 -4.997 -8.113 -5.335 1.00 0.00 O ATOM 0 H ASP A 63 -5.050 -6.474 -7.623 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.298 -5.322 -6.369 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.419 -5.705 -5.450 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.732 -5.228 -4.392 1.00 0.00 H new ATOM 1004 N LEU A 64 -4.743 -3.288 -6.894 1.00 0.00 N ATOM 1005 CA LEU A 64 -4.363 -1.881 -6.973 1.00 0.00 C ATOM 1006 C LEU A 64 -5.325 -1.107 -7.868 1.00 0.00 C ATOM 1007 O LEU A 64 -5.934 -0.126 -7.439 1.00 0.00 O ATOM 1008 CB LEU A 64 -2.935 -1.748 -7.504 1.00 0.00 C ATOM 1009 CG LEU A 64 -2.512 -0.347 -7.948 1.00 0.00 C ATOM 1010 CD1 LEU A 64 -2.626 0.636 -6.793 1.00 0.00 C ATOM 1011 CD2 LEU A 64 -1.093 -0.366 -8.497 1.00 0.00 C ATOM 0 H LEU A 64 -3.999 -3.940 -7.143 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.412 -1.459 -5.969 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.247 -2.085 -6.728 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.818 -2.426 -8.349 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.183 -0.021 -8.743 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.321 1.627 -7.128 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.659 0.672 -6.446 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.980 0.314 -5.976 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.810 0.640 -8.808 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.408 -0.713 -7.723 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.043 -1.038 -9.354 1.00 0.00 H new ATOM 1023 N ASP A 65 -5.459 -1.555 -9.111 1.00 0.00 N ATOM 1024 CA ASP A 65 -6.350 -0.906 -10.066 1.00 0.00 C ATOM 1025 C ASP A 65 -7.732 -0.687 -9.458 1.00 0.00 C ATOM 1026 O ASP A 65 -8.366 0.344 -9.683 1.00 0.00 O ATOM 1027 CB ASP A 65 -6.467 -1.745 -11.339 1.00 0.00 C ATOM 1028 CG ASP A 65 -6.717 -0.897 -12.571 1.00 0.00 C ATOM 1029 OD1 ASP A 65 -7.539 0.040 -12.490 1.00 0.00 O ATOM 1030 OD2 ASP A 65 -6.090 -1.170 -13.616 1.00 0.00 O ATOM 0 H ASP A 65 -4.962 -2.365 -9.481 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.925 0.066 -10.318 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.551 -2.320 -11.477 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.280 -2.462 -11.224 1.00 0.00 H new ATOM 1035 N LYS A 66 -8.194 -1.664 -8.686 1.00 0.00 N ATOM 1036 CA LYS A 66 -9.501 -1.580 -8.044 1.00 0.00 C ATOM 1037 C LYS A 66 -9.440 -0.700 -6.800 1.00 0.00 C ATOM 1038 O LYS A 66 -10.460 -0.190 -6.338 1.00 0.00 O ATOM 1039 CB LYS A 66 -9.999 -2.978 -7.669 1.00 0.00 C ATOM 1040 CG LYS A 66 -10.812 -3.647 -8.763 1.00 0.00 C ATOM 1041 CD LYS A 66 -11.360 -4.990 -8.308 1.00 0.00 C ATOM 1042 CE LYS A 66 -12.217 -5.636 -9.386 1.00 0.00 C ATOM 1043 NZ LYS A 66 -13.489 -4.894 -9.603 1.00 0.00 N ATOM 0 H LYS A 66 -7.683 -2.524 -8.489 1.00 0.00 H new ATOM 0 HA LYS A 66 -10.198 -1.131 -8.752 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.142 -3.607 -7.428 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.607 -2.908 -6.767 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.636 -2.996 -9.055 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.189 -3.787 -9.646 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.534 -5.653 -8.052 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.952 -4.855 -7.403 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.656 -5.676 -10.320 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -12.441 -6.665 -9.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -14.116 -5.452 -10.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -13.956 -4.730 -8.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -13.285 -3.981 -10.056 1.00 0.00 H new ATOM 1057 N ALA A 67 -8.237 -0.525 -6.262 1.00 0.00 N ATOM 1058 CA ALA A 67 -8.043 0.297 -5.074 1.00 0.00 C ATOM 1059 C ALA A 67 -7.880 1.767 -5.444 1.00 0.00 C ATOM 1060 O ALA A 67 -8.225 2.656 -4.665 1.00 0.00 O ATOM 1061 CB ALA A 67 -6.835 -0.190 -4.287 1.00 0.00 C ATOM 0 H ALA A 67 -7.382 -0.942 -6.630 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.931 0.204 -4.449 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.702 0.433 -3.402 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.992 -1.225 -3.982 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.944 -0.128 -4.912 1.00 0.00 H new ATOM 1067 N VAL A 68 -7.350 2.017 -6.637 1.00 0.00 N ATOM 1068 CA VAL A 68 -7.140 3.380 -7.110 1.00 0.00 C ATOM 1069 C VAL A 68 -8.424 3.964 -7.690 1.00 0.00 C ATOM 1070 O VAL A 68 -8.689 5.158 -7.557 1.00 0.00 O ATOM 1071 CB VAL A 68 -6.033 3.439 -8.179 1.00 0.00 C ATOM 1072 CG1 VAL A 68 -5.850 4.864 -8.680 1.00 0.00 C ATOM 1073 CG2 VAL A 68 -4.728 2.888 -7.626 1.00 0.00 C ATOM 0 H VAL A 68 -7.058 1.293 -7.294 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.833 3.971 -6.247 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.334 2.818 -9.023 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.064 4.886 -9.435 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.783 5.218 -9.118 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.572 5.510 -7.847 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.957 2.938 -8.395 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.419 3.480 -6.764 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.871 1.851 -7.322 1.00 0.00 H new ATOM 1083 N GLU A 69 -9.217 3.112 -8.333 1.00 0.00 N ATOM 1084 CA GLU A 69 -10.473 3.545 -8.934 1.00 0.00 C ATOM 1085 C GLU A 69 -11.516 3.840 -7.860 1.00 0.00 C ATOM 1086 O GLU A 69 -12.256 4.821 -7.950 1.00 0.00 O ATOM 1087 CB GLU A 69 -11.000 2.475 -9.893 1.00 0.00 C ATOM 1088 CG GLU A 69 -11.472 1.211 -9.194 1.00 0.00 C ATOM 1089 CD GLU A 69 -11.892 0.128 -10.169 1.00 0.00 C ATOM 1090 OE1 GLU A 69 -11.433 0.165 -11.330 1.00 0.00 O ATOM 1091 OE2 GLU A 69 -12.678 -0.757 -9.771 1.00 0.00 O ATOM 0 H GLU A 69 -9.012 2.120 -8.451 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.283 4.461 -9.493 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.826 2.891 -10.470 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.214 2.216 -10.602 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.672 0.832 -8.558 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.311 1.453 -8.541 1.00 0.00 H new ATOM 1098 N LEU A 70 -11.571 2.984 -6.846 1.00 0.00 N ATOM 1099 CA LEU A 70 -12.523 3.152 -5.754 1.00 0.00 C ATOM 1100 C LEU A 70 -12.205 4.402 -4.941 1.00 0.00 C ATOM 1101 O LEU A 70 -13.098 5.023 -4.361 1.00 0.00 O ATOM 1102 CB LEU A 70 -12.509 1.921 -4.845 1.00 0.00 C ATOM 1103 CG LEU A 70 -11.545 1.973 -3.660 1.00 0.00 C ATOM 1104 CD1 LEU A 70 -12.164 2.740 -2.501 1.00 0.00 C ATOM 1105 CD2 LEU A 70 -11.157 0.568 -3.225 1.00 0.00 C ATOM 0 H LEU A 70 -10.968 2.166 -6.757 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.517 3.266 -6.186 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.517 1.766 -4.461 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.262 1.049 -5.451 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.642 2.496 -3.974 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.463 2.766 -1.667 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.390 3.758 -2.818 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.083 2.246 -2.187 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.470 0.625 -2.380 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.051 0.019 -2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.671 0.052 -4.053 1.00 0.00 H new ATOM 1117 N LEU A 71 -10.929 4.769 -4.903 1.00 0.00 N ATOM 1118 CA LEU A 71 -10.493 5.947 -4.163 1.00 0.00 C ATOM 1119 C LEU A 71 -11.041 7.222 -4.797 1.00 0.00 C ATOM 1120 O LEU A 71 -11.636 8.059 -4.117 1.00 0.00 O ATOM 1121 CB LEU A 71 -8.965 6.005 -4.112 1.00 0.00 C ATOM 1122 CG LEU A 71 -8.350 7.400 -3.992 1.00 0.00 C ATOM 1123 CD1 LEU A 71 -8.637 7.994 -2.622 1.00 0.00 C ATOM 1124 CD2 LEU A 71 -6.851 7.346 -4.249 1.00 0.00 C ATOM 0 H LEU A 71 -10.178 4.267 -5.377 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.882 5.872 -3.147 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.627 5.407 -3.266 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.573 5.533 -5.013 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.805 8.043 -4.746 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.192 8.987 -2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.715 8.069 -2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.211 7.352 -1.851 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.430 8.347 -4.159 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.380 6.688 -3.519 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.668 6.964 -5.253 1.00 0.00 H new ATOM 1136 N ASP A 72 -10.837 7.362 -6.102 1.00 0.00 N ATOM 1137 CA ASP A 72 -11.314 8.533 -6.828 1.00 0.00 C ATOM 1138 C ASP A 72 -12.817 8.713 -6.643 1.00 0.00 C ATOM 1139 O ASP A 72 -13.279 9.777 -6.230 1.00 0.00 O ATOM 1140 CB ASP A 72 -10.982 8.407 -8.316 1.00 0.00 C ATOM 1141 CG ASP A 72 -11.014 9.743 -9.032 1.00 0.00 C ATOM 1142 OD1 ASP A 72 -11.910 10.557 -8.728 1.00 0.00 O ATOM 1143 OD2 ASP A 72 -10.143 9.974 -9.897 1.00 0.00 O ATOM 0 H ASP A 72 -10.345 6.680 -6.679 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.809 9.411 -6.424 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -9.993 7.962 -8.428 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.693 7.728 -8.788 1.00 0.00 H new ATOM 1148 N ARG A 73 -13.576 7.667 -6.953 1.00 0.00 N ATOM 1149 CA ARG A 73 -15.027 7.710 -6.823 1.00 0.00 C ATOM 1150 C ARG A 73 -15.435 8.035 -5.389 1.00 0.00 C ATOM 1151 O ARG A 73 -16.410 8.750 -5.158 1.00 0.00 O ATOM 1152 CB ARG A 73 -15.639 6.374 -7.248 1.00 0.00 C ATOM 1153 CG ARG A 73 -15.338 5.234 -6.288 1.00 0.00 C ATOM 1154 CD ARG A 73 -15.947 3.926 -6.768 1.00 0.00 C ATOM 1155 NE ARG A 73 -16.216 3.009 -5.664 1.00 0.00 N ATOM 1156 CZ ARG A 73 -17.129 2.046 -5.714 1.00 0.00 C ATOM 1157 NH1 ARG A 73 -17.857 1.874 -6.808 1.00 0.00 N ATOM 1158 NH2 ARG A 73 -17.314 1.251 -4.667 1.00 0.00 N ATOM 0 H ARG A 73 -13.210 6.779 -7.296 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.402 8.498 -7.477 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -16.719 6.490 -7.334 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -15.267 6.112 -8.238 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.259 5.118 -6.186 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.728 5.477 -5.299 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.875 4.133 -7.302 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.270 3.450 -7.478 1.00 0.00 H new ATOM 0 HE ARG A 73 -15.673 3.114 -4.807 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -17.717 2.482 -7.615 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.557 1.133 -6.843 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -16.755 1.380 -3.824 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -18.015 0.511 -4.706 1.00 0.00 H new ATOM 1172 N SER A 74 -14.682 7.506 -4.430 1.00 0.00 N ATOM 1173 CA SER A 74 -14.968 7.736 -3.019 1.00 0.00 C ATOM 1174 C SER A 74 -14.739 9.199 -2.650 1.00 0.00 C ATOM 1175 O SER A 74 -13.680 9.762 -2.928 1.00 0.00 O ATOM 1176 CB SER A 74 -14.092 6.835 -2.146 1.00 0.00 C ATOM 1177 OG SER A 74 -14.729 5.595 -1.893 1.00 0.00 O ATOM 0 H SER A 74 -13.869 6.915 -4.605 1.00 0.00 H new ATOM 0 HA SER A 74 -16.016 7.494 -2.842 1.00 0.00 H new ATOM 0 HB2 SER A 74 -13.136 6.662 -2.641 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.877 7.336 -1.202 1.00 0.00 H new ATOM 0 HG SER A 74 -14.447 4.939 -2.565 1.00 0.00 H new ATOM 1183 N ILE A 75 -15.739 9.807 -2.022 1.00 0.00 N ATOM 1184 CA ILE A 75 -15.648 11.203 -1.614 1.00 0.00 C ATOM 1185 C ILE A 75 -15.033 11.331 -0.225 1.00 0.00 C ATOM 1186 O ILE A 75 -14.125 12.133 -0.007 1.00 0.00 O ATOM 1187 CB ILE A 75 -17.030 11.882 -1.616 1.00 0.00 C ATOM 1188 CG1 ILE A 75 -17.648 11.827 -3.015 1.00 0.00 C ATOM 1189 CG2 ILE A 75 -16.913 13.323 -1.139 1.00 0.00 C ATOM 1190 CD1 ILE A 75 -19.152 11.990 -3.018 1.00 0.00 C ATOM 0 H ILE A 75 -16.622 9.355 -1.785 1.00 0.00 H new ATOM 0 HA ILE A 75 -15.006 11.702 -2.340 1.00 0.00 H new ATOM 0 HB ILE A 75 -17.684 11.344 -0.929 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -17.205 12.610 -3.630 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -17.393 10.874 -3.479 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -17.898 13.790 -1.146 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -16.511 13.339 -0.126 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -16.246 13.873 -1.803 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -19.521 11.941 -4.042 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -19.606 11.192 -2.430 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -19.414 12.955 -2.584 1.00 0.00 H new ATOM 1202 N HIS A 76 -15.533 10.532 0.713 1.00 0.00 N ATOM 1203 CA HIS A 76 -15.031 10.553 2.083 1.00 0.00 C ATOM 1204 C HIS A 76 -13.526 10.305 2.114 1.00 0.00 C ATOM 1205 O HIS A 76 -12.801 10.927 2.889 1.00 0.00 O ATOM 1206 CB HIS A 76 -15.751 9.502 2.928 1.00 0.00 C ATOM 1207 CG HIS A 76 -15.862 8.167 2.257 1.00 0.00 C ATOM 1208 ND1 HIS A 76 -16.684 7.738 1.271 1.00 0.00 N flip ATOM 1209 CD2 HIS A 76 -15.066 7.091 2.587 1.00 0.00 C flip ATOM 1210 CE1 HIS A 76 -16.372 6.424 1.025 1.00 0.00 C flip ATOM 1211 NE2 HIS A 76 -15.392 6.057 1.831 1.00 0.00 N flip ATOM 0 H HIS A 76 -16.285 9.862 0.550 1.00 0.00 H new ATOM 0 HA HIS A 76 -15.227 11.540 2.501 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -15.221 9.382 3.873 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -16.751 9.863 3.168 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -14.296 7.093 3.345 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -16.850 5.792 0.291 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -14.960 5.133 1.864 1.00 0.00 H new ATOM 1220 N MET A 77 -13.064 9.391 1.266 1.00 0.00 N ATOM 1221 CA MET A 77 -11.646 9.062 1.197 1.00 0.00 C ATOM 1222 C MET A 77 -10.908 10.027 0.274 1.00 0.00 C ATOM 1223 O MET A 77 -11.203 10.110 -0.918 1.00 0.00 O ATOM 1224 CB MET A 77 -11.457 7.625 0.707 1.00 0.00 C ATOM 1225 CG MET A 77 -10.191 6.966 1.230 1.00 0.00 C ATOM 1226 SD MET A 77 -10.361 5.179 1.408 1.00 0.00 S ATOM 1227 CE MET A 77 -9.421 4.607 -0.005 1.00 0.00 C ATOM 0 H MET A 77 -13.651 8.866 0.618 1.00 0.00 H new ATOM 0 HA MET A 77 -11.228 9.154 2.200 1.00 0.00 H new ATOM 0 HB2 MET A 77 -12.318 7.030 1.011 1.00 0.00 H new ATOM 0 HB3 MET A 77 -11.435 7.621 -0.383 1.00 0.00 H new ATOM 0 HG2 MET A 77 -9.366 7.183 0.551 1.00 0.00 H new ATOM 0 HG3 MET A 77 -9.932 7.400 2.196 1.00 0.00 H new ATOM 0 HE1 MET A 77 -8.922 3.671 0.245 1.00 0.00 H new ATOM 0 HE2 MET A 77 -10.093 4.447 -0.848 1.00 0.00 H new ATOM 0 HE3 MET A 77 -8.675 5.355 -0.273 1.00 0.00 H new ATOM 1237 N LYS A 78 -9.947 10.754 0.833 1.00 0.00 N ATOM 1238 CA LYS A 78 -9.165 11.713 0.061 1.00 0.00 C ATOM 1239 C LYS A 78 -7.919 11.055 -0.523 1.00 0.00 C ATOM 1240 O LYS A 78 -7.470 11.412 -1.612 1.00 0.00 O ATOM 1241 CB LYS A 78 -8.764 12.900 0.939 1.00 0.00 C ATOM 1242 CG LYS A 78 -7.884 12.516 2.116 1.00 0.00 C ATOM 1243 CD LYS A 78 -6.409 12.618 1.765 1.00 0.00 C ATOM 1244 CE LYS A 78 -5.902 14.046 1.898 1.00 0.00 C ATOM 1245 NZ LYS A 78 -6.344 14.675 3.174 1.00 0.00 N ATOM 0 H LYS A 78 -9.691 10.698 1.819 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.785 12.070 -0.761 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.238 13.633 0.327 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -9.665 13.385 1.313 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.103 13.166 2.963 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.115 11.497 2.428 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.832 11.964 2.419 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.252 12.268 0.745 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.813 14.051 1.849 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.262 14.639 1.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.670 15.419 3.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.288 15.092 3.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.382 13.953 3.922 1.00 0.00 H new ATOM 1259 N SER A 79 -7.366 10.092 0.208 1.00 0.00 N ATOM 1260 CA SER A 79 -6.171 9.386 -0.236 1.00 0.00 C ATOM 1261 C SER A 79 -6.278 7.894 0.065 1.00 0.00 C ATOM 1262 O SER A 79 -7.122 7.467 0.853 1.00 0.00 O ATOM 1263 CB SER A 79 -4.928 9.967 0.442 1.00 0.00 C ATOM 1264 OG SER A 79 -5.040 9.902 1.853 1.00 0.00 O ATOM 0 H SER A 79 -7.727 9.783 1.111 1.00 0.00 H new ATOM 0 HA SER A 79 -6.082 9.516 -1.315 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.043 9.418 0.119 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.792 11.003 0.132 1.00 0.00 H new ATOM 0 HG SER A 79 -4.233 10.278 2.263 1.00 0.00 H new ATOM 1270 N LEU A 80 -5.416 7.106 -0.569 1.00 0.00 N ATOM 1271 CA LEU A 80 -5.412 5.661 -0.370 1.00 0.00 C ATOM 1272 C LEU A 80 -4.552 5.279 0.830 1.00 0.00 C ATOM 1273 O LEU A 80 -3.336 5.124 0.713 1.00 0.00 O ATOM 1274 CB LEU A 80 -4.897 4.955 -1.626 1.00 0.00 C ATOM 1275 CG LEU A 80 -4.999 3.430 -1.628 1.00 0.00 C ATOM 1276 CD1 LEU A 80 -6.430 2.991 -1.897 1.00 0.00 C ATOM 1277 CD2 LEU A 80 -4.053 2.833 -2.660 1.00 0.00 C ATOM 0 H LEU A 80 -4.711 7.443 -1.225 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.436 5.343 -0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.448 5.337 -2.485 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.852 5.229 -1.770 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.708 3.065 -0.643 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.483 1.902 -1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.084 3.388 -1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.750 3.368 -2.869 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.139 1.746 -2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.313 3.206 -3.651 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.028 3.118 -2.422 1.00 0.00 H new ATOM 1289 N LYS A 81 -5.192 5.125 1.985 1.00 0.00 N ATOM 1290 CA LYS A 81 -4.488 4.757 3.207 1.00 0.00 C ATOM 1291 C LYS A 81 -3.791 3.409 3.049 1.00 0.00 C ATOM 1292 O LYS A 81 -4.419 2.415 2.687 1.00 0.00 O ATOM 1293 CB LYS A 81 -5.463 4.704 4.386 1.00 0.00 C ATOM 1294 CG LYS A 81 -4.778 4.588 5.737 1.00 0.00 C ATOM 1295 CD LYS A 81 -5.732 4.913 6.874 1.00 0.00 C ATOM 1296 CE LYS A 81 -5.338 4.191 8.154 1.00 0.00 C ATOM 1297 NZ LYS A 81 -5.986 4.793 9.352 1.00 0.00 N ATOM 0 H LYS A 81 -6.198 5.250 2.100 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.731 5.517 3.403 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.080 5.602 4.377 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.134 3.855 4.254 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.390 3.577 5.864 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -3.924 5.264 5.772 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.739 5.989 7.049 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.746 4.630 6.592 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.618 3.140 8.079 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.255 4.225 8.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.692 4.273 10.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.699 5.789 9.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.020 4.738 9.252 1.00 0.00 H new ATOM 1311 N ILE A 82 -2.492 3.384 3.325 1.00 0.00 N ATOM 1312 CA ILE A 82 -1.711 2.158 3.216 1.00 0.00 C ATOM 1313 C ILE A 82 -1.096 1.776 4.558 1.00 0.00 C ATOM 1314 O ILE A 82 -0.714 2.642 5.346 1.00 0.00 O ATOM 1315 CB ILE A 82 -0.589 2.296 2.170 1.00 0.00 C ATOM 1316 CG1 ILE A 82 -1.178 2.645 0.801 1.00 0.00 C ATOM 1317 CG2 ILE A 82 0.222 1.011 2.091 1.00 0.00 C ATOM 1318 CD1 ILE A 82 -1.994 1.527 0.191 1.00 0.00 C ATOM 0 H ILE A 82 -1.958 4.199 3.626 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.398 1.374 2.898 1.00 0.00 H new ATOM 0 HB ILE A 82 0.075 3.104 2.476 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.806 3.530 0.900 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.367 2.904 0.121 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.011 1.124 1.348 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.667 0.801 3.064 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.430 0.186 1.805 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.380 1.845 -0.778 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.364 0.647 0.060 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.827 1.282 0.851 1.00 0.00 H new ATOM 1330 N LEU A 83 -1.002 0.475 4.810 1.00 0.00 N ATOM 1331 CA LEU A 83 -0.431 -0.022 6.057 1.00 0.00 C ATOM 1332 C LEU A 83 0.671 -1.041 5.783 1.00 0.00 C ATOM 1333 O LEU A 83 0.398 -2.180 5.403 1.00 0.00 O ATOM 1334 CB LEU A 83 -1.521 -0.655 6.923 1.00 0.00 C ATOM 1335 CG LEU A 83 -2.457 0.318 7.641 1.00 0.00 C ATOM 1336 CD1 LEU A 83 -1.722 1.039 8.760 1.00 0.00 C ATOM 1337 CD2 LEU A 83 -3.045 1.318 6.655 1.00 0.00 C ATOM 0 H LEU A 83 -1.313 -0.254 4.168 1.00 0.00 H new ATOM 0 HA LEU A 83 0.004 0.823 6.591 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.123 -1.309 6.293 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.042 -1.286 7.671 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.275 -0.253 8.081 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.404 1.727 9.259 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.350 0.310 9.480 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.884 1.598 8.344 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.709 2.003 7.183 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.240 1.883 6.186 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.608 0.785 5.889 1.00 0.00 H new ATOM 1349 N LEU A 84 1.917 -0.623 5.979 1.00 0.00 N ATOM 1350 CA LEU A 84 3.061 -1.500 5.755 1.00 0.00 C ATOM 1351 C LEU A 84 3.195 -2.519 6.881 1.00 0.00 C ATOM 1352 O LEU A 84 3.085 -2.177 8.059 1.00 0.00 O ATOM 1353 CB LEU A 84 4.345 -0.675 5.643 1.00 0.00 C ATOM 1354 CG LEU A 84 4.343 0.429 4.586 1.00 0.00 C ATOM 1355 CD1 LEU A 84 5.578 1.306 4.728 1.00 0.00 C ATOM 1356 CD2 LEU A 84 4.270 -0.169 3.189 1.00 0.00 C ATOM 0 H LEU A 84 2.161 0.317 6.292 1.00 0.00 H new ATOM 0 HA LEU A 84 2.898 -2.038 4.821 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.547 -0.221 6.613 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.171 -1.353 5.430 1.00 0.00 H new ATOM 0 HG LEU A 84 3.461 1.050 4.740 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.560 2.086 3.967 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.587 1.764 5.717 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.473 0.697 4.601 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.270 0.632 2.450 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.133 -0.815 3.024 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.355 -0.754 3.091 1.00 0.00 H new ATOM 1368 N VAL A 85 3.435 -3.773 6.512 1.00 0.00 N ATOM 1369 CA VAL A 85 3.588 -4.843 7.491 1.00 0.00 C ATOM 1370 C VAL A 85 4.869 -5.633 7.247 1.00 0.00 C ATOM 1371 O VAL A 85 5.076 -6.179 6.164 1.00 0.00 O ATOM 1372 CB VAL A 85 2.388 -5.809 7.459 1.00 0.00 C ATOM 1373 CG1 VAL A 85 2.578 -6.930 8.468 1.00 0.00 C ATOM 1374 CG2 VAL A 85 1.092 -5.057 7.722 1.00 0.00 C ATOM 0 H VAL A 85 3.528 -4.073 5.542 1.00 0.00 H new ATOM 0 HA VAL A 85 3.638 -4.370 8.472 1.00 0.00 H new ATOM 0 HB VAL A 85 2.328 -6.254 6.466 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.721 -7.602 8.431 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.485 -7.485 8.229 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.665 -6.508 9.469 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.255 -5.755 7.696 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.139 -4.583 8.702 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.952 -4.294 6.956 1.00 0.00 H new ATOM 1384 N ILE A 86 5.725 -5.689 8.262 1.00 0.00 N ATOM 1385 CA ILE A 86 6.985 -6.413 8.158 1.00 0.00 C ATOM 1386 C ILE A 86 6.751 -7.873 7.783 1.00 0.00 C ATOM 1387 O ILE A 86 5.831 -8.514 8.288 1.00 0.00 O ATOM 1388 CB ILE A 86 7.778 -6.355 9.477 1.00 0.00 C ATOM 1389 CG1 ILE A 86 7.961 -4.903 9.924 1.00 0.00 C ATOM 1390 CG2 ILE A 86 9.128 -7.038 9.315 1.00 0.00 C ATOM 1391 CD1 ILE A 86 8.883 -4.106 9.028 1.00 0.00 C ATOM 0 H ILE A 86 5.569 -5.242 9.165 1.00 0.00 H new ATOM 0 HA ILE A 86 7.564 -5.927 7.373 1.00 0.00 H new ATOM 0 HB ILE A 86 7.215 -6.885 10.245 1.00 0.00 H new ATOM 0 HG12 ILE A 86 6.987 -4.415 9.955 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.355 -4.891 10.940 1.00 0.00 H new ATOM 0 HG21 ILE A 86 9.676 -6.988 10.256 1.00 0.00 H new ATOM 0 HG22 ILE A 86 8.977 -8.081 9.038 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.699 -6.534 8.535 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.966 -3.087 9.405 1.00 0.00 H new ATOM 0 HD12 ILE A 86 9.869 -4.570 9.016 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.479 -4.086 8.016 1.00 0.00 H new