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 51 ASN : amide:sc= -2.71! C(o=-5.8!,f=-7.5!) USER MOD Set 1.2: A 52 ASN : amide:sc= -3.07 K(o=-5.8,f=-18!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HE2:sc= -2.69 K(o=-2.7,f=-4.2) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc=-0.00713 X(o=-0.0071,f=-0.25) USER MOD Single : A 29 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0124) 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+ -161:sc= -0.0154 (180deg=-0.211) USER MOD Single : A 43 GLN : amide:sc= -0.0589 X(o=-0.059,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 144:sc= -2.9 (180deg=-4.42!) USER MOD Single : A 48 HIS : no HD1:sc= -2.61! C(o=-2.6!,f=-4.8!) USER MOD Single : A 49 TYR OH : rot 165:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -25:sc= 0.344 USER MOD Single : A 61 GLN : amide:sc= 0.761 K(o=0.76,f=-3.7!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 64:sc= 1.19 USER MOD Single : A 76 HIS :FLIP no HD1:sc= 0.202 F(o=-1.7!,f=0.2) USER MOD Single : A 77 MET CE :methyl -157:sc= -0.424 (180deg=-1.02) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.0194) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 -1.812 13.059 -9.817 1.00 0.00 N ATOM 67 CA ASP A 8 -1.125 11.913 -9.232 1.00 0.00 C ATOM 68 C ASP A 8 -2.000 11.231 -8.184 1.00 0.00 C ATOM 69 O ASP A 8 -3.081 11.717 -7.852 1.00 0.00 O ATOM 70 CB ASP A 8 0.198 12.352 -8.602 1.00 0.00 C ATOM 71 CG ASP A 8 0.938 13.364 -9.455 1.00 0.00 C ATOM 72 OD1 ASP A 8 0.597 14.563 -9.383 1.00 0.00 O ATOM 73 OD2 ASP A 8 1.858 12.956 -10.194 1.00 0.00 O ATOM 0 HA ASP A 8 -0.920 11.198 -10.029 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.004 12.782 -7.619 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.831 11.478 -8.448 1.00 0.00 H new ATOM 78 N VAL A 9 -1.526 10.102 -7.668 1.00 0.00 N ATOM 79 CA VAL A 9 -2.264 9.353 -6.659 1.00 0.00 C ATOM 80 C VAL A 9 -1.524 9.350 -5.326 1.00 0.00 C ATOM 81 O VAL A 9 -0.649 8.516 -5.092 1.00 0.00 O ATOM 82 CB VAL A 9 -2.505 7.898 -7.103 1.00 0.00 C ATOM 83 CG1 VAL A 9 -3.237 7.122 -6.019 1.00 0.00 C ATOM 84 CG2 VAL A 9 -3.280 7.863 -8.412 1.00 0.00 C ATOM 0 H VAL A 9 -0.633 9.686 -7.933 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.226 9.851 -6.537 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.538 7.421 -7.266 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.398 6.096 -6.351 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.639 7.118 -5.107 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.199 7.594 -5.820 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.442 6.828 -8.712 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.243 8.357 -8.278 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.712 8.380 -9.185 1.00 0.00 H new ATOM 94 N ARG A 10 -1.881 10.287 -4.454 1.00 0.00 N ATOM 95 CA ARG A 10 -1.250 10.393 -3.144 1.00 0.00 C ATOM 96 C ARG A 10 -1.473 9.123 -2.329 1.00 0.00 C ATOM 97 O ARG A 10 -2.609 8.689 -2.135 1.00 0.00 O ATOM 98 CB ARG A 10 -1.801 11.602 -2.386 1.00 0.00 C ATOM 99 CG ARG A 10 -0.841 12.158 -1.347 1.00 0.00 C ATOM 100 CD ARG A 10 -1.255 13.550 -0.894 1.00 0.00 C ATOM 101 NE ARG A 10 -0.894 14.573 -1.872 1.00 0.00 N ATOM 102 CZ ARG A 10 -1.022 15.877 -1.652 1.00 0.00 C ATOM 103 NH1 ARG A 10 -1.500 16.314 -0.495 1.00 0.00 N ATOM 104 NH2 ARG A 10 -0.672 16.747 -2.591 1.00 0.00 N ATOM 0 H ARG A 10 -2.604 10.984 -4.631 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.178 10.524 -3.294 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.045 12.388 -3.101 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.731 11.319 -1.894 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.807 11.489 -0.487 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.166 12.194 -1.763 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.332 13.572 -0.727 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.780 13.777 0.060 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.524 14.270 -2.773 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.771 15.648 0.229 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.597 17.316 -0.329 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.304 16.415 -3.483 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.771 17.748 -2.421 1.00 0.00 H new ATOM 118 N VAL A 11 -0.382 8.530 -1.855 1.00 0.00 N ATOM 119 CA VAL A 11 -0.458 7.310 -1.061 1.00 0.00 C ATOM 120 C VAL A 11 0.270 7.474 0.269 1.00 0.00 C ATOM 121 O VAL A 11 1.500 7.477 0.320 1.00 0.00 O ATOM 122 CB VAL A 11 0.142 6.110 -1.817 1.00 0.00 C ATOM 123 CG1 VAL A 11 0.105 4.860 -0.951 1.00 0.00 C ATOM 124 CG2 VAL A 11 -0.597 5.883 -3.127 1.00 0.00 C ATOM 0 H VAL A 11 0.566 8.875 -2.007 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.515 7.120 -0.873 1.00 0.00 H new ATOM 0 HB VAL A 11 1.184 6.332 -2.047 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.533 4.023 -1.502 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.683 5.030 -0.042 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.927 4.631 -0.687 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.160 5.031 -3.648 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.648 5.682 -2.922 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.513 6.773 -3.751 1.00 0.00 H new ATOM 134 N LYS A 12 -0.498 7.610 1.344 1.00 0.00 N ATOM 135 CA LYS A 12 0.071 7.773 2.677 1.00 0.00 C ATOM 136 C LYS A 12 0.383 6.418 3.304 1.00 0.00 C ATOM 137 O LYS A 12 -0.498 5.567 3.438 1.00 0.00 O ATOM 138 CB LYS A 12 -0.892 8.553 3.574 1.00 0.00 C ATOM 139 CG LYS A 12 -0.227 9.162 4.796 1.00 0.00 C ATOM 140 CD LYS A 12 -0.998 10.366 5.309 1.00 0.00 C ATOM 141 CE LYS A 12 -0.881 10.501 6.820 1.00 0.00 C ATOM 142 NZ LYS A 12 -1.547 11.735 7.320 1.00 0.00 N ATOM 0 H LYS A 12 -1.518 7.611 1.319 1.00 0.00 H new ATOM 0 HA LYS A 12 1.001 8.333 2.582 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.357 9.347 2.990 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.692 7.888 3.900 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.155 8.412 5.584 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.791 9.460 4.546 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.622 11.271 4.832 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.048 10.272 5.031 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.327 9.629 7.298 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.172 10.516 7.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.445 11.790 8.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.105 12.569 6.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.557 11.709 7.073 1.00 0.00 H new ATOM 156 N PHE A 13 1.639 6.224 3.690 1.00 0.00 N ATOM 157 CA PHE A 13 2.066 4.973 4.304 1.00 0.00 C ATOM 158 C PHE A 13 2.002 5.064 5.826 1.00 0.00 C ATOM 159 O PHE A 13 1.971 6.157 6.391 1.00 0.00 O ATOM 160 CB PHE A 13 3.489 4.622 3.863 1.00 0.00 C ATOM 161 CG PHE A 13 3.564 4.059 2.473 1.00 0.00 C ATOM 162 CD1 PHE A 13 2.727 3.025 2.085 1.00 0.00 C ATOM 163 CD2 PHE A 13 4.471 4.562 1.555 1.00 0.00 C ATOM 164 CE1 PHE A 13 2.794 2.504 0.806 1.00 0.00 C ATOM 165 CE2 PHE A 13 4.542 4.046 0.275 1.00 0.00 C ATOM 166 CZ PHE A 13 3.702 3.016 -0.100 1.00 0.00 C ATOM 0 H PHE A 13 2.380 6.918 3.588 1.00 0.00 H new ATOM 0 HA PHE A 13 1.387 4.187 3.975 1.00 0.00 H new ATOM 0 HB2 PHE A 13 4.109 5.517 3.918 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.910 3.899 4.562 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.015 2.622 2.789 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.131 5.367 1.843 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.137 1.697 0.516 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.254 4.448 -0.431 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.755 2.612 -1.100 1.00 0.00 H new ATOM 176 N GLU A 14 1.982 3.908 6.482 1.00 0.00 N ATOM 177 CA GLU A 14 1.919 3.858 7.938 1.00 0.00 C ATOM 178 C GLU A 14 2.656 2.632 8.472 1.00 0.00 C ATOM 179 O GLU A 14 2.518 1.530 7.940 1.00 0.00 O ATOM 180 CB GLU A 14 0.463 3.836 8.408 1.00 0.00 C ATOM 181 CG GLU A 14 -0.162 5.217 8.515 1.00 0.00 C ATOM 182 CD GLU A 14 -0.822 5.660 7.223 1.00 0.00 C ATOM 183 OE1 GLU A 14 -1.202 4.783 6.419 1.00 0.00 O ATOM 184 OE2 GLU A 14 -0.958 6.884 7.016 1.00 0.00 O ATOM 0 H GLU A 14 2.008 2.995 6.029 1.00 0.00 H new ATOM 0 HA GLU A 14 2.405 4.752 8.328 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.125 3.233 7.716 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.411 3.346 9.380 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.902 5.216 9.315 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.606 5.939 8.793 1.00 0.00 H new ATOM 191 N HIS A 15 3.439 2.833 9.528 1.00 0.00 N ATOM 192 CA HIS A 15 4.197 1.745 10.135 1.00 0.00 C ATOM 193 C HIS A 15 4.559 2.075 11.580 1.00 0.00 C ATOM 194 O HIS A 15 5.422 2.915 11.837 1.00 0.00 O ATOM 195 CB HIS A 15 5.467 1.469 9.329 1.00 0.00 C ATOM 196 CG HIS A 15 5.961 0.061 9.453 1.00 0.00 C ATOM 197 ND1 HIS A 15 6.087 -0.589 10.663 1.00 0.00 N ATOM 198 CD2 HIS A 15 6.359 -0.824 8.509 1.00 0.00 C ATOM 199 CE1 HIS A 15 6.543 -1.812 10.458 1.00 0.00 C ATOM 200 NE2 HIS A 15 6.716 -1.980 9.160 1.00 0.00 N ATOM 0 H HIS A 15 3.565 3.739 9.980 1.00 0.00 H new ATOM 0 HA HIS A 15 3.571 0.852 10.131 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.275 1.687 8.278 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.251 2.151 9.658 1.00 0.00 H new ATOM 0 HD1 HIS A 15 5.863 -0.188 11.574 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.390 -0.653 7.443 1.00 0.00 H new ATOM 0 HE1 HIS A 15 6.741 -2.549 11.222 1.00 0.00 H new ATOM 209 N ARG A 16 3.894 1.410 12.518 1.00 0.00 N ATOM 210 CA ARG A 16 4.144 1.634 13.937 1.00 0.00 C ATOM 211 C ARG A 16 4.379 3.115 14.220 1.00 0.00 C ATOM 212 O ARG A 16 5.387 3.492 14.815 1.00 0.00 O ATOM 213 CB ARG A 16 5.353 0.818 14.399 1.00 0.00 C ATOM 214 CG ARG A 16 5.083 -0.675 14.484 1.00 0.00 C ATOM 215 CD ARG A 16 6.352 -1.484 14.266 1.00 0.00 C ATOM 216 NE ARG A 16 7.379 -1.168 15.255 1.00 0.00 N ATOM 217 CZ ARG A 16 8.637 -1.585 15.167 1.00 0.00 C ATOM 218 NH1 ARG A 16 9.021 -2.332 14.141 1.00 0.00 N ATOM 219 NH2 ARG A 16 9.514 -1.256 16.108 1.00 0.00 N ATOM 0 H ARG A 16 3.177 0.711 12.321 1.00 0.00 H new ATOM 0 HA ARG A 16 3.263 1.311 14.491 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.181 0.990 13.712 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.671 1.178 15.378 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.661 -0.914 15.460 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.339 -0.954 13.738 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.117 -2.547 14.315 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.739 -1.289 13.266 1.00 0.00 H new ATOM 0 HE ARG A 16 7.116 -0.596 16.057 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.350 -2.588 13.417 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.988 -2.651 14.076 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.222 -0.683 16.899 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.480 -1.577 16.040 1.00 0.00 H new ATOM 233 N GLY A 17 3.439 3.951 13.788 1.00 0.00 N ATOM 234 CA GLY A 17 3.562 5.381 14.004 1.00 0.00 C ATOM 235 C GLY A 17 4.180 6.095 12.818 1.00 0.00 C ATOM 236 O GLY A 17 3.766 7.198 12.465 1.00 0.00 O ATOM 0 H GLY A 17 2.595 3.663 13.293 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.576 5.801 14.204 1.00 0.00 H new ATOM 0 HA3 GLY A 17 4.171 5.561 14.890 1.00 0.00 H new ATOM 240 N GLU A 18 5.176 5.465 12.203 1.00 0.00 N ATOM 241 CA GLU A 18 5.854 6.049 11.052 1.00 0.00 C ATOM 242 C GLU A 18 4.881 6.253 9.894 1.00 0.00 C ATOM 243 O GLU A 18 3.965 5.456 9.690 1.00 0.00 O ATOM 244 CB GLU A 18 7.014 5.156 10.607 1.00 0.00 C ATOM 245 CG GLU A 18 8.174 5.132 11.588 1.00 0.00 C ATOM 246 CD GLU A 18 9.493 4.786 10.923 1.00 0.00 C ATOM 247 OE1 GLU A 18 9.750 3.583 10.707 1.00 0.00 O ATOM 248 OE2 GLU A 18 10.267 5.718 10.619 1.00 0.00 O ATOM 0 H GLU A 18 5.531 4.551 12.483 1.00 0.00 H new ATOM 0 HA GLU A 18 6.248 7.021 11.349 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.646 4.140 10.467 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.376 5.500 9.638 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.258 6.106 12.069 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.966 4.406 12.374 1.00 0.00 H new ATOM 255 N LYS A 19 5.087 7.326 9.138 1.00 0.00 N ATOM 256 CA LYS A 19 4.231 7.636 7.999 1.00 0.00 C ATOM 257 C LYS A 19 5.043 8.236 6.856 1.00 0.00 C ATOM 258 O LYS A 19 6.031 8.934 7.083 1.00 0.00 O ATOM 259 CB LYS A 19 3.124 8.606 8.417 1.00 0.00 C ATOM 260 CG LYS A 19 2.610 8.372 9.827 1.00 0.00 C ATOM 261 CD LYS A 19 1.951 9.618 10.394 1.00 0.00 C ATOM 262 CE LYS A 19 0.912 9.268 11.449 1.00 0.00 C ATOM 263 NZ LYS A 19 -0.420 8.988 10.845 1.00 0.00 N ATOM 0 H LYS A 19 5.840 7.996 9.294 1.00 0.00 H new ATOM 0 HA LYS A 19 3.779 6.707 7.651 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.499 9.627 8.341 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.293 8.519 7.717 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.894 7.550 9.822 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.436 8.071 10.471 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.711 10.266 10.831 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.478 10.180 9.588 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.246 8.396 12.012 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.823 10.091 12.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.100 8.754 11.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.751 9.828 10.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.341 8.186 10.187 1.00 0.00 H new ATOM 277 N ARG A 20 4.618 7.960 5.627 1.00 0.00 N ATOM 278 CA ARG A 20 5.306 8.474 4.448 1.00 0.00 C ATOM 279 C ARG A 20 4.347 8.591 3.267 1.00 0.00 C ATOM 280 O ARG A 20 3.805 7.592 2.793 1.00 0.00 O ATOM 281 CB ARG A 20 6.478 7.563 4.078 1.00 0.00 C ATOM 282 CG ARG A 20 7.789 7.958 4.739 1.00 0.00 C ATOM 283 CD ARG A 20 8.348 9.241 4.144 1.00 0.00 C ATOM 284 NE ARG A 20 9.175 9.972 5.099 1.00 0.00 N ATOM 285 CZ ARG A 20 9.804 11.106 4.810 1.00 0.00 C ATOM 286 NH1 ARG A 20 9.699 11.636 3.599 1.00 0.00 N ATOM 287 NH2 ARG A 20 10.538 11.713 5.734 1.00 0.00 N ATOM 0 H ARG A 20 3.802 7.384 5.422 1.00 0.00 H new ATOM 0 HA ARG A 20 5.687 9.467 4.685 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.234 6.539 4.359 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.609 7.574 2.996 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.633 8.090 5.810 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.515 7.154 4.620 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.940 9.003 3.260 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.526 9.877 3.816 1.00 0.00 H new ATOM 0 HE ARG A 20 9.276 9.591 6.040 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.134 11.173 2.887 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.183 12.507 3.380 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.620 11.309 6.667 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.021 12.584 5.511 1.00 0.00 H new ATOM 301 N ILE A 21 4.141 9.817 2.798 1.00 0.00 N ATOM 302 CA ILE A 21 3.248 10.064 1.672 1.00 0.00 C ATOM 303 C ILE A 21 4.005 10.015 0.349 1.00 0.00 C ATOM 304 O ILE A 21 5.060 10.633 0.201 1.00 0.00 O ATOM 305 CB ILE A 21 2.547 11.429 1.800 1.00 0.00 C ATOM 306 CG1 ILE A 21 1.489 11.383 2.904 1.00 0.00 C ATOM 307 CG2 ILE A 21 1.919 11.827 0.473 1.00 0.00 C ATOM 308 CD1 ILE A 21 0.940 12.744 3.271 1.00 0.00 C ATOM 0 H ILE A 21 4.580 10.655 3.180 1.00 0.00 H new ATOM 0 HA ILE A 21 2.496 9.275 1.686 1.00 0.00 H new ATOM 0 HB ILE A 21 3.291 12.179 2.068 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.667 10.743 2.582 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.922 10.923 3.792 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.427 12.794 0.579 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.694 11.896 -0.290 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.185 11.077 0.178 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.195 12.635 4.059 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.751 13.381 3.624 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.477 13.198 2.395 1.00 0.00 H new ATOM 320 N LEU A 22 3.458 9.277 -0.611 1.00 0.00 N ATOM 321 CA LEU A 22 4.080 9.147 -1.924 1.00 0.00 C ATOM 322 C LEU A 22 3.170 9.704 -3.014 1.00 0.00 C ATOM 323 O LEU A 22 2.004 10.009 -2.766 1.00 0.00 O ATOM 324 CB LEU A 22 4.405 7.681 -2.214 1.00 0.00 C ATOM 325 CG LEU A 22 5.683 7.137 -1.573 1.00 0.00 C ATOM 326 CD1 LEU A 22 5.496 6.967 -0.073 1.00 0.00 C ATOM 327 CD2 LEU A 22 6.082 5.817 -2.216 1.00 0.00 C ATOM 0 H LEU A 22 2.585 8.760 -0.505 1.00 0.00 H new ATOM 0 HA LEU A 22 5.005 9.723 -1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.566 7.071 -1.879 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.481 7.553 -3.294 1.00 0.00 H new ATOM 0 HG LEU A 22 6.485 7.856 -1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.415 6.579 0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.258 7.931 0.376 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.681 6.268 0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.993 5.445 -1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.281 5.090 -2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.258 5.969 -3.281 1.00 0.00 H new ATOM 339 N GLN A 23 3.711 9.830 -4.222 1.00 0.00 N ATOM 340 CA GLN A 23 2.946 10.348 -5.350 1.00 0.00 C ATOM 341 C GLN A 23 3.220 9.535 -6.612 1.00 0.00 C ATOM 342 O GLN A 23 4.320 9.577 -7.164 1.00 0.00 O ATOM 343 CB GLN A 23 3.288 11.819 -5.593 1.00 0.00 C ATOM 344 CG GLN A 23 2.618 12.769 -4.614 1.00 0.00 C ATOM 345 CD GLN A 23 2.638 14.208 -5.090 1.00 0.00 C ATOM 346 OE1 GLN A 23 3.561 14.631 -5.786 1.00 0.00 O ATOM 347 NE2 GLN A 23 1.616 14.969 -4.716 1.00 0.00 N ATOM 0 H GLN A 23 4.675 9.581 -4.444 1.00 0.00 H new ATOM 0 HA GLN A 23 1.887 10.264 -5.108 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.369 11.947 -5.529 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.994 12.089 -6.607 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.585 12.456 -4.459 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.120 12.703 -3.649 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.872 14.577 -4.139 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.575 15.946 -5.006 1.00 0.00 H new ATOM 356 N PHE A 24 2.212 8.796 -7.063 1.00 0.00 N ATOM 357 CA PHE A 24 2.344 7.972 -8.259 1.00 0.00 C ATOM 358 C PHE A 24 1.353 8.410 -9.334 1.00 0.00 C ATOM 359 O PHE A 24 0.139 8.258 -9.194 1.00 0.00 O ATOM 360 CB PHE A 24 2.123 6.498 -7.916 1.00 0.00 C ATOM 361 CG PHE A 24 3.089 5.969 -6.894 1.00 0.00 C ATOM 362 CD1 PHE A 24 2.807 6.065 -5.541 1.00 0.00 C ATOM 363 CD2 PHE A 24 4.277 5.375 -7.287 1.00 0.00 C ATOM 364 CE1 PHE A 24 3.694 5.579 -4.599 1.00 0.00 C ATOM 365 CE2 PHE A 24 5.168 4.888 -6.349 1.00 0.00 C ATOM 366 CZ PHE A 24 4.876 4.989 -5.004 1.00 0.00 C ATOM 0 H PHE A 24 1.295 8.751 -6.619 1.00 0.00 H new ATOM 0 HA PHE A 24 3.354 8.100 -8.648 1.00 0.00 H new ATOM 0 HB2 PHE A 24 1.106 6.368 -7.545 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.208 5.905 -8.826 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.884 6.524 -5.219 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.510 5.291 -8.338 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.463 5.660 -3.547 1.00 0.00 H new ATOM 0 HE2 PHE A 24 6.092 4.429 -6.668 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.570 4.608 -4.269 1.00 0.00 H new ATOM 376 N PRO A 25 1.881 8.969 -10.433 1.00 0.00 N ATOM 377 CA PRO A 25 1.061 9.441 -11.553 1.00 0.00 C ATOM 378 C PRO A 25 0.419 8.293 -12.325 1.00 0.00 C ATOM 379 O PRO A 25 1.103 7.543 -13.022 1.00 0.00 O ATOM 380 CB PRO A 25 2.064 10.185 -12.437 1.00 0.00 C ATOM 381 CG PRO A 25 3.382 9.567 -12.119 1.00 0.00 C ATOM 382 CD PRO A 25 3.319 9.182 -10.667 1.00 0.00 C ATOM 0 HA PRO A 25 0.228 10.058 -11.217 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.819 10.074 -13.493 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.065 11.253 -12.221 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.566 8.695 -12.746 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.196 10.268 -12.302 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.897 8.280 -10.465 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.719 9.967 -10.025 1.00 0.00 H new ATOM 390 N ARG A 26 -0.897 8.163 -12.197 1.00 0.00 N ATOM 391 CA ARG A 26 -1.631 7.107 -12.883 1.00 0.00 C ATOM 392 C ARG A 26 -1.202 7.007 -14.344 1.00 0.00 C ATOM 393 O ARG A 26 -0.839 7.997 -14.979 1.00 0.00 O ATOM 394 CB ARG A 26 -3.136 7.364 -12.798 1.00 0.00 C ATOM 395 CG ARG A 26 -3.740 7.013 -11.449 1.00 0.00 C ATOM 396 CD ARG A 26 -5.202 6.614 -11.579 1.00 0.00 C ATOM 397 NE ARG A 26 -5.357 5.198 -11.901 1.00 0.00 N ATOM 398 CZ ARG A 26 -6.529 4.624 -12.144 1.00 0.00 C ATOM 399 NH1 ARG A 26 -7.644 5.341 -12.103 1.00 0.00 N ATOM 400 NH2 ARG A 26 -6.589 3.329 -12.430 1.00 0.00 N ATOM 0 H ARG A 26 -1.477 8.776 -11.624 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.403 6.162 -12.390 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.329 8.416 -13.010 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.639 6.785 -13.573 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.177 6.195 -10.999 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.653 7.867 -10.777 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.722 6.832 -10.646 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.674 7.216 -12.355 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.519 4.618 -11.941 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.602 6.336 -11.884 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.543 4.897 -12.290 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.734 2.774 -12.463 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.490 2.889 -12.617 1.00 0.00 H new ATOM 414 N PRO A 27 -1.244 5.783 -14.891 1.00 0.00 N ATOM 415 CA PRO A 27 -1.673 4.596 -14.144 1.00 0.00 C ATOM 416 C PRO A 27 -0.668 4.190 -13.072 1.00 0.00 C ATOM 417 O PRO A 27 0.542 4.244 -13.290 1.00 0.00 O ATOM 418 CB PRO A 27 -1.771 3.515 -15.223 1.00 0.00 C ATOM 419 CG PRO A 27 -0.833 3.959 -16.291 1.00 0.00 C ATOM 420 CD PRO A 27 -0.874 5.463 -16.280 1.00 0.00 C ATOM 0 HA PRO A 27 -2.606 4.768 -13.607 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.490 2.538 -14.831 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.789 3.426 -15.602 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.176 3.595 -16.100 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.134 3.568 -17.263 1.00 0.00 H new ATOM 0 HD2 PRO A 27 0.091 5.893 -16.548 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.605 5.850 -16.990 1.00 0.00 H new ATOM 428 N VAL A 28 -1.177 3.783 -11.914 1.00 0.00 N ATOM 429 CA VAL A 28 -0.324 3.366 -10.808 1.00 0.00 C ATOM 430 C VAL A 28 0.090 1.906 -10.954 1.00 0.00 C ATOM 431 O VAL A 28 -0.708 1.060 -11.359 1.00 0.00 O ATOM 432 CB VAL A 28 -1.029 3.556 -9.452 1.00 0.00 C ATOM 433 CG1 VAL A 28 -0.141 3.072 -8.316 1.00 0.00 C ATOM 434 CG2 VAL A 28 -1.417 5.013 -9.253 1.00 0.00 C ATOM 0 H VAL A 28 -2.177 3.733 -11.717 1.00 0.00 H new ATOM 0 HA VAL A 28 0.564 3.997 -10.838 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.940 2.958 -9.449 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.656 3.214 -7.366 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.081 2.014 -8.453 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.789 3.641 -8.313 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.914 5.129 -8.290 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.522 5.634 -9.277 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.094 5.321 -10.050 1.00 0.00 H new ATOM 444 N LYS A 29 1.343 1.616 -10.620 1.00 0.00 N ATOM 445 CA LYS A 29 1.865 0.257 -10.712 1.00 0.00 C ATOM 446 C LYS A 29 2.168 -0.304 -9.326 1.00 0.00 C ATOM 447 O LYS A 29 3.059 0.183 -8.629 1.00 0.00 O ATOM 448 CB LYS A 29 3.131 0.232 -11.572 1.00 0.00 C ATOM 449 CG LYS A 29 2.902 0.682 -13.004 1.00 0.00 C ATOM 450 CD LYS A 29 2.259 -0.414 -13.837 1.00 0.00 C ATOM 451 CE LYS A 29 1.503 0.160 -15.026 1.00 0.00 C ATOM 452 NZ LYS A 29 2.412 0.863 -15.974 1.00 0.00 N ATOM 0 H LYS A 29 2.016 2.304 -10.283 1.00 0.00 H new ATOM 0 HA LYS A 29 1.103 -0.367 -11.179 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.884 0.874 -11.114 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.536 -0.780 -11.578 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.265 1.567 -13.011 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.853 0.970 -13.452 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.027 -1.102 -14.191 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.576 -0.992 -13.215 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.984 -0.643 -15.549 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.741 0.854 -14.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.867 1.196 -16.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.850 1.676 -15.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.154 0.208 -16.293 1.00 0.00 H new ATOM 466 N LEU A 30 1.422 -1.330 -8.932 1.00 0.00 N ATOM 467 CA LEU A 30 1.612 -1.959 -7.630 1.00 0.00 C ATOM 468 C LEU A 30 3.094 -2.053 -7.281 1.00 0.00 C ATOM 469 O LEU A 30 3.504 -1.704 -6.175 1.00 0.00 O ATOM 470 CB LEU A 30 0.984 -3.353 -7.618 1.00 0.00 C ATOM 471 CG LEU A 30 1.339 -4.240 -6.424 1.00 0.00 C ATOM 472 CD1 LEU A 30 0.647 -3.741 -5.164 1.00 0.00 C ATOM 473 CD2 LEU A 30 0.963 -5.687 -6.704 1.00 0.00 C ATOM 0 H LEU A 30 0.680 -1.744 -9.496 1.00 0.00 H new ATOM 0 HA LEU A 30 1.120 -1.340 -6.880 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.100 -3.241 -7.652 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.280 -3.871 -8.530 1.00 0.00 H new ATOM 0 HG LEU A 30 2.416 -4.190 -6.266 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.911 -4.384 -4.325 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.966 -2.720 -4.953 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.433 -3.760 -5.310 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.223 -6.304 -5.843 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.109 -5.755 -6.889 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.505 -6.041 -7.581 1.00 0.00 H new ATOM 485 N GLU A 31 3.891 -2.525 -8.234 1.00 0.00 N ATOM 486 CA GLU A 31 5.328 -2.664 -8.028 1.00 0.00 C ATOM 487 C GLU A 31 5.946 -1.337 -7.596 1.00 0.00 C ATOM 488 O GLU A 31 6.783 -1.294 -6.694 1.00 0.00 O ATOM 489 CB GLU A 31 6.004 -3.162 -9.307 1.00 0.00 C ATOM 490 CG GLU A 31 6.334 -2.053 -10.292 1.00 0.00 C ATOM 491 CD GLU A 31 6.738 -2.584 -11.654 1.00 0.00 C ATOM 492 OE1 GLU A 31 5.848 -3.041 -12.401 1.00 0.00 O ATOM 493 OE2 GLU A 31 7.945 -2.541 -11.972 1.00 0.00 O ATOM 0 H GLU A 31 3.566 -2.817 -9.156 1.00 0.00 H new ATOM 0 HA GLU A 31 5.486 -3.395 -7.235 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.922 -3.686 -9.042 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.352 -3.887 -9.794 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.468 -1.401 -10.403 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.143 -1.443 -9.889 1.00 0.00 H new ATOM 500 N ASP A 32 5.529 -0.257 -8.248 1.00 0.00 N ATOM 501 CA ASP A 32 6.040 1.072 -7.932 1.00 0.00 C ATOM 502 C ASP A 32 5.819 1.403 -6.459 1.00 0.00 C ATOM 503 O ASP A 32 6.749 1.800 -5.755 1.00 0.00 O ATOM 504 CB ASP A 32 5.363 2.124 -8.811 1.00 0.00 C ATOM 505 CG ASP A 32 6.258 3.318 -9.078 1.00 0.00 C ATOM 506 OD1 ASP A 32 7.385 3.348 -8.539 1.00 0.00 O ATOM 507 OD2 ASP A 32 5.833 4.223 -9.826 1.00 0.00 O ATOM 0 H ASP A 32 4.839 -0.276 -8.999 1.00 0.00 H new ATOM 0 HA ASP A 32 7.112 1.079 -8.131 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.075 1.670 -9.759 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.446 2.462 -8.328 1.00 0.00 H new ATOM 512 N LEU A 33 4.584 1.239 -6.000 1.00 0.00 N ATOM 513 CA LEU A 33 4.240 1.522 -4.611 1.00 0.00 C ATOM 514 C LEU A 33 5.201 0.819 -3.658 1.00 0.00 C ATOM 515 O LEU A 33 5.713 1.426 -2.717 1.00 0.00 O ATOM 516 CB LEU A 33 2.804 1.082 -4.321 1.00 0.00 C ATOM 517 CG LEU A 33 1.706 2.065 -4.729 1.00 0.00 C ATOM 518 CD1 LEU A 33 0.428 1.320 -5.083 1.00 0.00 C ATOM 519 CD2 LEU A 33 1.448 3.070 -3.616 1.00 0.00 C ATOM 0 H LEU A 33 3.804 0.911 -6.569 1.00 0.00 H new ATOM 0 HA LEU A 33 4.323 2.597 -4.454 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.625 0.136 -4.832 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.713 0.890 -3.252 1.00 0.00 H new ATOM 0 HG LEU A 33 2.042 2.609 -5.611 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.342 2.035 -5.371 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.621 0.641 -5.913 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.088 0.749 -4.219 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.664 3.761 -3.925 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.133 2.543 -2.715 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.362 3.627 -3.410 1.00 0.00 H new ATOM 531 N ARG A 34 5.444 -0.464 -3.910 1.00 0.00 N ATOM 532 CA ARG A 34 6.345 -1.249 -3.075 1.00 0.00 C ATOM 533 C ARG A 34 7.771 -0.714 -3.162 1.00 0.00 C ATOM 534 O ARG A 34 8.386 -0.389 -2.146 1.00 0.00 O ATOM 535 CB ARG A 34 6.314 -2.719 -3.497 1.00 0.00 C ATOM 536 CG ARG A 34 4.909 -3.274 -3.670 1.00 0.00 C ATOM 537 CD ARG A 34 4.935 -4.741 -4.069 1.00 0.00 C ATOM 538 NE ARG A 34 5.585 -5.571 -3.058 1.00 0.00 N ATOM 539 CZ ARG A 34 5.690 -6.892 -3.150 1.00 0.00 C ATOM 540 NH1 ARG A 34 5.192 -7.529 -4.201 1.00 0.00 N ATOM 541 NH2 ARG A 34 6.296 -7.579 -2.189 1.00 0.00 N ATOM 0 H ARG A 34 5.029 -0.981 -4.685 1.00 0.00 H new ATOM 0 HA ARG A 34 6.007 -1.167 -2.042 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.858 -2.830 -4.435 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.841 -3.314 -2.751 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.354 -3.159 -2.739 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.380 -2.698 -4.430 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.915 -5.092 -4.226 1.00 0.00 H new ATOM 0 HD3 ARG A 34 5.459 -4.849 -5.019 1.00 0.00 H new ATOM 0 HE ARG A 34 5.979 -5.112 -2.237 1.00 0.00 H new ATOM 0 HH11 ARG A 34 4.727 -7.005 -4.942 1.00 0.00 H new ATOM 0 HH12 ARG A 34 5.274 -8.543 -4.269 1.00 0.00 H new ATOM 0 HH21 ARG A 34 6.681 -7.092 -1.380 1.00 0.00 H new ATOM 0 HH22 ARG A 34 6.376 -8.593 -2.260 1.00 0.00 H new ATOM 555 N SER A 35 8.292 -0.625 -4.381 1.00 0.00 N ATOM 556 CA SER A 35 9.647 -0.134 -4.600 1.00 0.00 C ATOM 557 C SER A 35 9.939 1.069 -3.709 1.00 0.00 C ATOM 558 O SER A 35 10.853 1.039 -2.884 1.00 0.00 O ATOM 559 CB SER A 35 9.843 0.246 -6.069 1.00 0.00 C ATOM 560 OG SER A 35 11.193 0.072 -6.465 1.00 0.00 O ATOM 0 H SER A 35 7.796 -0.887 -5.233 1.00 0.00 H new ATOM 0 HA SER A 35 10.343 -0.933 -4.343 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.195 -0.366 -6.696 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.547 1.284 -6.222 1.00 0.00 H new ATOM 0 HG SER A 35 11.292 0.320 -7.408 1.00 0.00 H new ATOM 566 N LYS A 36 9.156 2.129 -3.882 1.00 0.00 N ATOM 567 CA LYS A 36 9.328 3.344 -3.094 1.00 0.00 C ATOM 568 C LYS A 36 9.312 3.031 -1.601 1.00 0.00 C ATOM 569 O LYS A 36 10.309 3.225 -0.906 1.00 0.00 O ATOM 570 CB LYS A 36 8.226 4.352 -3.426 1.00 0.00 C ATOM 571 CG LYS A 36 8.151 4.708 -4.901 1.00 0.00 C ATOM 572 CD LYS A 36 9.371 5.497 -5.346 1.00 0.00 C ATOM 573 CE LYS A 36 9.229 6.975 -5.015 1.00 0.00 C ATOM 574 NZ LYS A 36 10.535 7.688 -5.092 1.00 0.00 N ATOM 0 H LYS A 36 8.396 2.171 -4.561 1.00 0.00 H new ATOM 0 HA LYS A 36 10.296 3.777 -3.346 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.266 3.945 -3.110 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.392 5.262 -2.849 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.070 3.796 -5.493 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.250 5.292 -5.090 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.261 5.098 -4.860 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.513 5.375 -6.420 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.522 7.436 -5.705 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.814 7.085 -4.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.396 8.692 -4.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.202 7.265 -4.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.920 7.605 -6.055 1.00 0.00 H new ATOM 588 N ALA A 37 8.175 2.544 -1.115 1.00 0.00 N ATOM 589 CA ALA A 37 8.031 2.201 0.294 1.00 0.00 C ATOM 590 C ALA A 37 9.243 1.424 0.797 1.00 0.00 C ATOM 591 O ALA A 37 9.612 1.519 1.967 1.00 0.00 O ATOM 592 CB ALA A 37 6.758 1.397 0.514 1.00 0.00 C ATOM 0 H ALA A 37 7.340 2.378 -1.677 1.00 0.00 H new ATOM 0 HA ALA A 37 7.965 3.128 0.863 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.663 1.148 1.571 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.896 1.987 0.202 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.801 0.479 -0.073 1.00 0.00 H new ATOM 598 N LYS A 38 9.858 0.656 -0.095 1.00 0.00 N ATOM 599 CA LYS A 38 11.030 -0.138 0.257 1.00 0.00 C ATOM 600 C LYS A 38 12.279 0.735 0.321 1.00 0.00 C ATOM 601 O LYS A 38 13.151 0.526 1.165 1.00 0.00 O ATOM 602 CB LYS A 38 11.233 -1.264 -0.760 1.00 0.00 C ATOM 603 CG LYS A 38 12.489 -2.083 -0.518 1.00 0.00 C ATOM 604 CD LYS A 38 12.612 -3.223 -1.515 1.00 0.00 C ATOM 605 CE LYS A 38 14.066 -3.593 -1.761 1.00 0.00 C ATOM 606 NZ LYS A 38 14.781 -2.545 -2.542 1.00 0.00 N ATOM 0 H LYS A 38 9.565 0.566 -1.068 1.00 0.00 H new ATOM 0 HA LYS A 38 10.861 -0.573 1.242 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.367 -1.926 -0.734 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.277 -0.835 -1.761 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.365 -1.438 -0.591 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.473 -2.485 0.495 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.072 -4.093 -1.143 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.144 -2.936 -2.457 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.570 -3.741 -0.806 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.114 -4.541 -2.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.641 -2.951 -2.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 14.160 -2.191 -3.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 15.041 -1.760 -1.912 1.00 0.00 H new ATOM 620 N ILE A 39 12.359 1.713 -0.575 1.00 0.00 N ATOM 621 CA ILE A 39 13.500 2.618 -0.618 1.00 0.00 C ATOM 622 C ILE A 39 13.443 3.629 0.523 1.00 0.00 C ATOM 623 O ILE A 39 14.475 4.090 1.009 1.00 0.00 O ATOM 624 CB ILE A 39 13.568 3.376 -1.957 1.00 0.00 C ATOM 625 CG1 ILE A 39 13.625 2.388 -3.124 1.00 0.00 C ATOM 626 CG2 ILE A 39 14.775 4.302 -1.981 1.00 0.00 C ATOM 627 CD1 ILE A 39 13.149 2.974 -4.435 1.00 0.00 C ATOM 0 H ILE A 39 11.647 1.899 -1.281 1.00 0.00 H new ATOM 0 HA ILE A 39 14.394 2.003 -0.512 1.00 0.00 H new ATOM 0 HB ILE A 39 12.668 3.982 -2.061 1.00 0.00 H new ATOM 0 HG12 ILE A 39 14.650 2.037 -3.243 1.00 0.00 H new ATOM 0 HG13 ILE A 39 13.016 1.517 -2.882 1.00 0.00 H new ATOM 0 HG21 ILE A 39 14.809 4.831 -2.934 1.00 0.00 H new ATOM 0 HG22 ILE A 39 14.696 5.024 -1.168 1.00 0.00 H new ATOM 0 HG23 ILE A 39 15.686 3.716 -1.858 1.00 0.00 H new ATOM 0 HD11 ILE A 39 13.217 2.218 -5.217 1.00 0.00 H new ATOM 0 HD12 ILE A 39 12.114 3.299 -4.334 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.773 3.828 -4.700 1.00 0.00 H new ATOM 639 N ALA A 40 12.229 3.967 0.946 1.00 0.00 N ATOM 640 CA ALA A 40 12.037 4.920 2.032 1.00 0.00 C ATOM 641 C ALA A 40 12.406 4.302 3.376 1.00 0.00 C ATOM 642 O ALA A 40 13.139 4.899 4.165 1.00 0.00 O ATOM 643 CB ALA A 40 10.598 5.414 2.053 1.00 0.00 C ATOM 0 H ALA A 40 11.364 3.595 0.553 1.00 0.00 H new ATOM 0 HA ALA A 40 12.698 5.769 1.858 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.469 6.125 2.869 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.367 5.903 1.106 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.925 4.569 2.199 1.00 0.00 H new ATOM 649 N PHE A 41 11.894 3.103 3.631 1.00 0.00 N ATOM 650 CA PHE A 41 12.168 2.405 4.882 1.00 0.00 C ATOM 651 C PHE A 41 13.411 1.529 4.754 1.00 0.00 C ATOM 652 O PHE A 41 14.275 1.526 5.630 1.00 0.00 O ATOM 653 CB PHE A 41 10.967 1.549 5.287 1.00 0.00 C ATOM 654 CG PHE A 41 9.795 2.352 5.773 1.00 0.00 C ATOM 655 CD1 PHE A 41 9.210 3.311 4.962 1.00 0.00 C ATOM 656 CD2 PHE A 41 9.279 2.150 7.043 1.00 0.00 C ATOM 657 CE1 PHE A 41 8.131 4.052 5.406 1.00 0.00 C ATOM 658 CE2 PHE A 41 8.200 2.887 7.493 1.00 0.00 C ATOM 659 CZ PHE A 41 7.626 3.840 6.674 1.00 0.00 C ATOM 0 H PHE A 41 11.287 2.594 2.988 1.00 0.00 H new ATOM 0 HA PHE A 41 12.349 3.153 5.654 1.00 0.00 H new ATOM 0 HB2 PHE A 41 10.656 0.947 4.433 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.273 0.856 6.071 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.602 3.482 3.970 1.00 0.00 H new ATOM 0 HD2 PHE A 41 9.725 1.408 7.689 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.684 4.795 4.763 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.806 2.718 8.484 1.00 0.00 H new ATOM 0 HZ PHE A 41 6.784 4.418 7.025 1.00 0.00 H new ATOM 669 N GLY A 42 13.493 0.785 3.655 1.00 0.00 N ATOM 670 CA GLY A 42 14.633 -0.086 3.432 1.00 0.00 C ATOM 671 C GLY A 42 14.256 -1.554 3.467 1.00 0.00 C ATOM 672 O GLY A 42 15.112 -2.424 3.308 1.00 0.00 O ATOM 0 H GLY A 42 12.791 0.770 2.915 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.082 0.148 2.467 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.390 0.110 4.191 1.00 0.00 H new ATOM 676 N GLN A 43 12.973 -1.829 3.679 1.00 0.00 N ATOM 677 CA GLN A 43 12.487 -3.203 3.737 1.00 0.00 C ATOM 678 C GLN A 43 11.348 -3.419 2.747 1.00 0.00 C ATOM 679 O GLN A 43 10.678 -2.471 2.339 1.00 0.00 O ATOM 680 CB GLN A 43 12.018 -3.540 5.154 1.00 0.00 C ATOM 681 CG GLN A 43 13.115 -4.114 6.036 1.00 0.00 C ATOM 682 CD GLN A 43 12.795 -3.999 7.514 1.00 0.00 C ATOM 683 OE1 GLN A 43 12.696 -5.003 8.220 1.00 0.00 O ATOM 684 NE2 GLN A 43 12.631 -2.770 7.990 1.00 0.00 N ATOM 0 H GLN A 43 12.252 -1.120 3.813 1.00 0.00 H new ATOM 0 HA GLN A 43 13.309 -3.865 3.467 1.00 0.00 H new ATOM 0 HB2 GLN A 43 11.622 -2.638 5.621 1.00 0.00 H new ATOM 0 HB3 GLN A 43 11.198 -4.256 5.096 1.00 0.00 H new ATOM 0 HG2 GLN A 43 13.269 -5.163 5.782 1.00 0.00 H new ATOM 0 HG3 GLN A 43 14.051 -3.595 5.829 1.00 0.00 H new ATOM 0 HE21 GLN A 43 12.722 -1.966 7.369 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.414 -2.630 8.977 1.00 0.00 H new ATOM 693 N SER A 44 11.133 -4.674 2.364 1.00 0.00 N ATOM 694 CA SER A 44 10.078 -5.015 1.418 1.00 0.00 C ATOM 695 C SER A 44 8.737 -5.165 2.131 1.00 0.00 C ATOM 696 O SER A 44 7.925 -6.018 1.775 1.00 0.00 O ATOM 697 CB SER A 44 10.423 -6.310 0.680 1.00 0.00 C ATOM 698 OG SER A 44 9.868 -6.318 -0.623 1.00 0.00 O ATOM 0 H SER A 44 11.676 -5.471 2.695 1.00 0.00 H new ATOM 0 HA SER A 44 9.997 -4.204 0.694 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.506 -6.419 0.618 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.048 -7.164 1.244 1.00 0.00 H new ATOM 0 HG SER A 44 10.104 -7.155 -1.074 1.00 0.00 H new ATOM 704 N MET A 45 8.514 -4.329 3.140 1.00 0.00 N ATOM 705 CA MET A 45 7.271 -4.367 3.902 1.00 0.00 C ATOM 706 C MET A 45 6.066 -4.475 2.974 1.00 0.00 C ATOM 707 O MET A 45 6.046 -3.881 1.896 1.00 0.00 O ATOM 708 CB MET A 45 7.146 -3.117 4.776 1.00 0.00 C ATOM 709 CG MET A 45 7.468 -1.827 4.040 1.00 0.00 C ATOM 710 SD MET A 45 7.977 -0.502 5.153 1.00 0.00 S ATOM 711 CE MET A 45 9.233 -1.335 6.120 1.00 0.00 C ATOM 0 H MET A 45 9.177 -3.618 3.449 1.00 0.00 H new ATOM 0 HA MET A 45 7.294 -5.249 4.542 1.00 0.00 H new ATOM 0 HB2 MET A 45 6.131 -3.058 5.169 1.00 0.00 H new ATOM 0 HB3 MET A 45 7.814 -3.214 5.632 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.262 -2.014 3.317 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.592 -1.506 3.476 1.00 0.00 H new ATOM 0 HE1 MET A 45 10.035 -0.635 6.355 1.00 0.00 H new ATOM 0 HE2 MET A 45 8.793 -1.706 7.046 1.00 0.00 H new ATOM 0 HE3 MET A 45 9.637 -2.171 5.549 1.00 0.00 H new ATOM 721 N ASP A 46 5.064 -5.237 3.399 1.00 0.00 N ATOM 722 CA ASP A 46 3.855 -5.423 2.605 1.00 0.00 C ATOM 723 C ASP A 46 3.019 -4.147 2.583 1.00 0.00 C ATOM 724 O ASP A 46 3.212 -3.251 3.405 1.00 0.00 O ATOM 725 CB ASP A 46 3.026 -6.581 3.163 1.00 0.00 C ATOM 726 CG ASP A 46 3.650 -7.932 2.872 1.00 0.00 C ATOM 727 OD1 ASP A 46 4.857 -8.099 3.145 1.00 0.00 O ATOM 728 OD2 ASP A 46 2.931 -8.822 2.373 1.00 0.00 O ATOM 0 H ASP A 46 5.065 -5.736 4.289 1.00 0.00 H new ATOM 0 HA ASP A 46 4.153 -5.659 1.583 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.916 -6.459 4.241 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.024 -6.547 2.734 1.00 0.00 H new ATOM 733 N LEU A 47 2.090 -4.072 1.636 1.00 0.00 N ATOM 734 CA LEU A 47 1.224 -2.905 1.505 1.00 0.00 C ATOM 735 C LEU A 47 -0.238 -3.286 1.715 1.00 0.00 C ATOM 736 O LEU A 47 -0.875 -3.856 0.829 1.00 0.00 O ATOM 737 CB LEU A 47 1.404 -2.264 0.128 1.00 0.00 C ATOM 738 CG LEU A 47 2.599 -1.322 -0.024 1.00 0.00 C ATOM 739 CD1 LEU A 47 3.903 -2.102 0.029 1.00 0.00 C ATOM 740 CD2 LEU A 47 2.497 -0.536 -1.323 1.00 0.00 C ATOM 0 H LEU A 47 1.917 -4.805 0.948 1.00 0.00 H new ATOM 0 HA LEU A 47 1.506 -2.185 2.273 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.498 -3.060 -0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.497 -1.710 -0.114 1.00 0.00 H new ATOM 0 HG LEU A 47 2.588 -0.615 0.806 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.742 -1.415 -0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.979 -2.618 0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.923 -2.832 -0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.356 0.129 -1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.482 -1.227 -2.166 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.580 0.054 -1.321 1.00 0.00 H new ATOM 752 N HIS A 48 -0.765 -2.964 2.892 1.00 0.00 N ATOM 753 CA HIS A 48 -2.153 -3.270 3.217 1.00 0.00 C ATOM 754 C HIS A 48 -2.980 -1.992 3.326 1.00 0.00 C ATOM 755 O HIS A 48 -2.806 -1.205 4.256 1.00 0.00 O ATOM 756 CB HIS A 48 -2.232 -4.055 4.527 1.00 0.00 C ATOM 757 CG HIS A 48 -1.708 -5.454 4.420 1.00 0.00 C ATOM 758 ND1 HIS A 48 -0.556 -5.775 3.733 1.00 0.00 N ATOM 759 CD2 HIS A 48 -2.184 -6.618 4.919 1.00 0.00 C ATOM 760 CE1 HIS A 48 -0.348 -7.078 3.812 1.00 0.00 C ATOM 761 NE2 HIS A 48 -1.321 -7.612 4.527 1.00 0.00 N ATOM 0 H HIS A 48 -0.252 -2.491 3.636 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.562 -3.880 2.412 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.670 -3.523 5.294 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -3.270 -4.089 4.859 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.076 -6.742 5.515 1.00 0.00 H new ATOM 0 HE1 HIS A 48 0.477 -7.614 3.367 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -1.416 -8.602 4.752 1.00 0.00 H new ATOM 770 N TYR A 49 -3.879 -1.792 2.369 1.00 0.00 N ATOM 771 CA TYR A 49 -4.730 -0.609 2.355 1.00 0.00 C ATOM 772 C TYR A 49 -6.144 -0.949 2.818 1.00 0.00 C ATOM 773 O TYR A 49 -6.692 -1.994 2.465 1.00 0.00 O ATOM 774 CB TYR A 49 -4.774 -0.002 0.951 1.00 0.00 C ATOM 775 CG TYR A 49 -5.918 -0.513 0.106 1.00 0.00 C ATOM 776 CD1 TYR A 49 -5.877 -1.782 -0.459 1.00 0.00 C ATOM 777 CD2 TYR A 49 -7.039 0.273 -0.129 1.00 0.00 C ATOM 778 CE1 TYR A 49 -6.920 -2.253 -1.233 1.00 0.00 C ATOM 779 CE2 TYR A 49 -8.087 -0.190 -0.901 1.00 0.00 C ATOM 780 CZ TYR A 49 -8.023 -1.454 -1.451 1.00 0.00 C ATOM 781 OH TYR A 49 -9.065 -1.918 -2.221 1.00 0.00 O ATOM 0 H TYR A 49 -4.037 -2.434 1.593 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.306 0.120 3.046 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.852 1.082 1.035 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.834 -0.216 0.442 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -5.015 -2.411 -0.290 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.092 1.263 0.299 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.872 -3.242 -1.665 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.952 0.434 -1.073 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.851 -1.350 -2.084 1.00 0.00 H new ATOM 791 N THR A 50 -6.730 -0.058 3.611 1.00 0.00 N ATOM 792 CA THR A 50 -8.079 -0.261 4.124 1.00 0.00 C ATOM 793 C THR A 50 -9.070 0.684 3.454 1.00 0.00 C ATOM 794 O THR A 50 -8.801 1.874 3.301 1.00 0.00 O ATOM 795 CB THR A 50 -8.138 -0.052 5.649 1.00 0.00 C ATOM 796 OG1 THR A 50 -8.106 1.347 5.953 1.00 0.00 O ATOM 797 CG2 THR A 50 -6.976 -0.752 6.336 1.00 0.00 C ATOM 0 H THR A 50 -6.291 0.812 3.912 1.00 0.00 H new ATOM 0 HA THR A 50 -8.352 -1.291 3.895 1.00 0.00 H new ATOM 0 HB THR A 50 -9.069 -0.482 6.017 1.00 0.00 H new ATOM 0 HG1 THR A 50 -8.146 1.472 6.924 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.039 -0.590 7.412 1.00 0.00 H new ATOM 0 HG22 THR A 50 -7.020 -1.821 6.126 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.035 -0.347 5.963 1.00 0.00 H new ATOM 805 N ASN A 51 -10.219 0.145 3.057 1.00 0.00 N ATOM 806 CA ASN A 51 -11.251 0.941 2.403 1.00 0.00 C ATOM 807 C ASN A 51 -12.162 1.602 3.433 1.00 0.00 C ATOM 808 O ASN A 51 -12.066 2.803 3.682 1.00 0.00 O ATOM 809 CB ASN A 51 -12.079 0.066 1.460 1.00 0.00 C ATOM 810 CG ASN A 51 -13.391 0.718 1.069 1.00 0.00 C ATOM 811 OD1 ASN A 51 -13.583 1.918 1.265 1.00 0.00 O ATOM 812 ND2 ASN A 51 -14.302 -0.073 0.513 1.00 0.00 N ATOM 0 H ASN A 51 -10.458 -0.839 3.177 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.759 1.723 1.824 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -11.499 -0.145 0.561 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -12.281 -0.891 1.941 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -15.204 0.309 0.229 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -14.099 -1.062 0.370 1.00 0.00 H new ATOM 819 N ASN A 52 -13.046 0.808 4.029 1.00 0.00 N ATOM 820 CA ASN A 52 -13.974 1.315 5.033 1.00 0.00 C ATOM 821 C ASN A 52 -13.596 0.818 6.425 1.00 0.00 C ATOM 822 O ASN A 52 -13.052 1.567 7.235 1.00 0.00 O ATOM 823 CB ASN A 52 -15.404 0.887 4.697 1.00 0.00 C ATOM 824 CG ASN A 52 -15.465 -0.502 4.091 1.00 0.00 C ATOM 825 OD1 ASN A 52 -14.875 -0.759 3.041 1.00 0.00 O ATOM 826 ND2 ASN A 52 -16.181 -1.405 4.751 1.00 0.00 N ATOM 0 H ASN A 52 -13.139 -0.189 3.834 1.00 0.00 H new ATOM 0 HA ASN A 52 -13.916 2.403 5.028 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -16.010 0.912 5.603 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -15.841 1.603 4.001 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -16.259 -2.356 4.391 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -16.653 -1.147 5.618 1.00 0.00 H new ATOM 833 N GLU A 53 -13.888 -0.451 6.694 1.00 0.00 N ATOM 834 CA GLU A 53 -13.579 -1.047 7.988 1.00 0.00 C ATOM 835 C GLU A 53 -12.882 -2.394 7.813 1.00 0.00 C ATOM 836 O GLU A 53 -12.755 -3.167 8.763 1.00 0.00 O ATOM 837 CB GLU A 53 -14.857 -1.225 8.811 1.00 0.00 C ATOM 838 CG GLU A 53 -15.717 0.026 8.877 1.00 0.00 C ATOM 839 CD GLU A 53 -15.381 0.903 10.068 1.00 0.00 C ATOM 840 OE1 GLU A 53 -14.186 1.214 10.258 1.00 0.00 O ATOM 841 OE2 GLU A 53 -16.313 1.278 10.809 1.00 0.00 O ATOM 0 H GLU A 53 -14.338 -1.085 6.034 1.00 0.00 H new ATOM 0 HA GLU A 53 -12.905 -0.374 8.518 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.444 -2.037 8.383 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.588 -1.525 9.824 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -15.587 0.600 7.960 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -16.767 -0.262 8.927 1.00 0.00 H new ATOM 848 N LEU A 54 -12.433 -2.667 6.594 1.00 0.00 N ATOM 849 CA LEU A 54 -11.749 -3.920 6.293 1.00 0.00 C ATOM 850 C LEU A 54 -10.310 -3.664 5.857 1.00 0.00 C ATOM 851 O LEU A 54 -9.852 -2.521 5.831 1.00 0.00 O ATOM 852 CB LEU A 54 -12.498 -4.683 5.199 1.00 0.00 C ATOM 853 CG LEU A 54 -13.898 -5.177 5.563 1.00 0.00 C ATOM 854 CD1 LEU A 54 -14.532 -5.899 4.385 1.00 0.00 C ATOM 855 CD2 LEU A 54 -13.842 -6.087 6.781 1.00 0.00 C ATOM 0 H LEU A 54 -12.530 -2.038 5.797 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.732 -4.523 7.201 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -12.578 -4.038 4.324 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.896 -5.543 4.907 1.00 0.00 H new ATOM 0 HG LEU A 54 -14.515 -4.313 5.808 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.528 -6.244 4.663 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.607 -5.217 3.538 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -13.916 -6.755 4.108 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.847 -6.429 7.026 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.209 -6.947 6.564 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.430 -5.537 7.627 1.00 0.00 H new ATOM 867 N VAL A 55 -9.602 -4.735 5.512 1.00 0.00 N ATOM 868 CA VAL A 55 -8.216 -4.626 5.074 1.00 0.00 C ATOM 869 C VAL A 55 -7.962 -5.482 3.838 1.00 0.00 C ATOM 870 O VAL A 55 -8.366 -6.644 3.782 1.00 0.00 O ATOM 871 CB VAL A 55 -7.240 -5.049 6.187 1.00 0.00 C ATOM 872 CG1 VAL A 55 -5.800 -4.922 5.713 1.00 0.00 C ATOM 873 CG2 VAL A 55 -7.471 -4.220 7.441 1.00 0.00 C ATOM 0 H VAL A 55 -9.966 -5.688 5.527 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.043 -3.578 4.829 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.426 -6.095 6.430 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.125 -5.225 6.514 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.645 -5.563 4.845 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.597 -3.886 5.440 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.773 -4.532 8.217 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.314 -3.166 7.214 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.493 -4.367 7.791 1.00 0.00 H new ATOM 883 N ILE A 56 -7.289 -4.901 2.850 1.00 0.00 N ATOM 884 CA ILE A 56 -6.980 -5.611 1.616 1.00 0.00 C ATOM 885 C ILE A 56 -5.494 -5.519 1.286 1.00 0.00 C ATOM 886 O ILE A 56 -4.979 -4.464 0.914 1.00 0.00 O ATOM 887 CB ILE A 56 -7.793 -5.059 0.429 1.00 0.00 C ATOM 888 CG1 ILE A 56 -9.233 -4.775 0.859 1.00 0.00 C ATOM 889 CG2 ILE A 56 -7.764 -6.039 -0.734 1.00 0.00 C ATOM 890 CD1 ILE A 56 -9.415 -3.421 1.508 1.00 0.00 C ATOM 0 H ILE A 56 -6.948 -3.940 2.881 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.250 -6.655 1.777 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.341 -4.123 0.100 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -9.884 -4.841 -0.013 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.555 -5.549 1.556 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.343 -5.635 -1.565 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.733 -6.196 -1.052 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -8.195 -6.989 -0.420 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -10.460 -3.289 1.787 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -8.791 -3.358 2.399 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.125 -2.639 0.806 1.00 0.00 H new ATOM 902 N PRO A 57 -4.786 -6.650 1.423 1.00 0.00 N ATOM 903 CA PRO A 57 -3.349 -6.724 1.143 1.00 0.00 C ATOM 904 C PRO A 57 -3.042 -6.596 -0.346 1.00 0.00 C ATOM 905 O PRO A 57 -3.282 -7.522 -1.121 1.00 0.00 O ATOM 906 CB PRO A 57 -2.959 -8.114 1.652 1.00 0.00 C ATOM 907 CG PRO A 57 -4.217 -8.910 1.580 1.00 0.00 C ATOM 908 CD PRO A 57 -5.335 -7.945 1.862 1.00 0.00 C ATOM 0 HA PRO A 57 -2.799 -5.912 1.618 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.175 -8.556 1.037 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.576 -8.069 2.672 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.334 -9.366 0.597 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.208 -9.721 2.309 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.239 -8.206 1.312 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.598 -7.932 2.920 1.00 0.00 H new ATOM 916 N LEU A 58 -2.510 -5.444 -0.738 1.00 0.00 N ATOM 917 CA LEU A 58 -2.168 -5.195 -2.134 1.00 0.00 C ATOM 918 C LEU A 58 -1.067 -6.140 -2.603 1.00 0.00 C ATOM 919 O LEU A 58 0.120 -5.872 -2.411 1.00 0.00 O ATOM 920 CB LEU A 58 -1.724 -3.743 -2.320 1.00 0.00 C ATOM 921 CG LEU A 58 -2.840 -2.698 -2.351 1.00 0.00 C ATOM 922 CD1 LEU A 58 -2.333 -1.361 -1.834 1.00 0.00 C ATOM 923 CD2 LEU A 58 -3.395 -2.552 -3.760 1.00 0.00 C ATOM 0 H LEU A 58 -2.306 -4.667 -0.109 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.057 -5.377 -2.738 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.037 -3.488 -1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.162 -3.673 -3.251 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.646 -3.035 -1.698 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.141 -0.630 -1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.985 -1.476 -0.808 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.509 -1.017 -2.460 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.188 -1.804 -3.763 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.598 -2.238 -4.434 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.797 -3.509 -4.094 1.00 0.00 H new ATOM 935 N THR A 59 -1.467 -7.248 -3.220 1.00 0.00 N ATOM 936 CA THR A 59 -0.514 -8.232 -3.717 1.00 0.00 C ATOM 937 C THR A 59 -0.421 -8.189 -5.237 1.00 0.00 C ATOM 938 O THR A 59 0.672 -8.182 -5.804 1.00 0.00 O ATOM 939 CB THR A 59 -0.898 -9.658 -3.277 1.00 0.00 C ATOM 940 OG1 THR A 59 -2.285 -9.895 -3.544 1.00 0.00 O ATOM 941 CG2 THR A 59 -0.620 -9.861 -1.796 1.00 0.00 C ATOM 0 H THR A 59 -2.445 -7.486 -3.387 1.00 0.00 H new ATOM 0 HA THR A 59 0.456 -7.976 -3.290 1.00 0.00 H new ATOM 0 HB THR A 59 -0.292 -10.365 -3.844 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.522 -10.804 -3.263 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.899 -10.875 -1.509 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.441 -9.708 -1.601 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.203 -9.146 -1.215 1.00 0.00 H new ATOM 949 N THR A 60 -1.576 -8.159 -5.896 1.00 0.00 N ATOM 950 CA THR A 60 -1.625 -8.117 -7.352 1.00 0.00 C ATOM 951 C THR A 60 -2.133 -6.767 -7.846 1.00 0.00 C ATOM 952 O THR A 60 -2.793 -6.036 -7.109 1.00 0.00 O ATOM 953 CB THR A 60 -2.527 -9.230 -7.916 1.00 0.00 C ATOM 954 OG1 THR A 60 -3.875 -9.041 -7.471 1.00 0.00 O ATOM 955 CG2 THR A 60 -2.032 -10.601 -7.481 1.00 0.00 C ATOM 0 H THR A 60 -2.490 -8.163 -5.444 1.00 0.00 H new ATOM 0 HA THR A 60 -0.606 -8.271 -7.707 1.00 0.00 H new ATOM 0 HB THR A 60 -2.493 -9.178 -9.004 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.875 -8.532 -6.633 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.685 -11.371 -7.892 1.00 0.00 H new ATOM 0 HG22 THR A 60 -1.017 -10.754 -7.846 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.039 -10.662 -6.393 1.00 0.00 H new ATOM 963 N GLN A 61 -1.821 -6.445 -9.097 1.00 0.00 N ATOM 964 CA GLN A 61 -2.248 -5.182 -9.688 1.00 0.00 C ATOM 965 C GLN A 61 -3.766 -5.047 -9.648 1.00 0.00 C ATOM 966 O GLN A 61 -4.296 -3.982 -9.328 1.00 0.00 O ATOM 967 CB GLN A 61 -1.753 -5.078 -11.132 1.00 0.00 C ATOM 968 CG GLN A 61 -2.283 -3.859 -11.870 1.00 0.00 C ATOM 969 CD GLN A 61 -1.439 -2.622 -11.635 1.00 0.00 C ATOM 970 OE1 GLN A 61 -0.229 -2.711 -11.427 1.00 0.00 O ATOM 971 NE2 GLN A 61 -2.076 -1.457 -11.666 1.00 0.00 N ATOM 0 H GLN A 61 -1.275 -7.040 -9.720 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.814 -4.371 -9.103 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.663 -5.048 -11.133 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.047 -5.977 -11.674 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.318 -4.073 -12.938 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -3.306 -3.662 -11.550 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -3.080 -1.429 -11.842 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.561 -0.590 -11.514 1.00 0.00 H new ATOM 980 N ASP A 62 -4.460 -6.131 -9.974 1.00 0.00 N ATOM 981 CA ASP A 62 -5.919 -6.134 -9.974 1.00 0.00 C ATOM 982 C ASP A 62 -6.464 -5.430 -8.736 1.00 0.00 C ATOM 983 O ASP A 62 -7.420 -4.659 -8.818 1.00 0.00 O ATOM 984 CB ASP A 62 -6.447 -7.568 -10.035 1.00 0.00 C ATOM 985 CG ASP A 62 -6.439 -8.129 -11.444 1.00 0.00 C ATOM 986 OD1 ASP A 62 -5.356 -8.534 -11.915 1.00 0.00 O ATOM 987 OD2 ASP A 62 -7.517 -8.163 -12.074 1.00 0.00 O ATOM 0 H ASP A 62 -4.037 -7.019 -10.242 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.259 -5.592 -10.857 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.839 -8.203 -9.391 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.463 -7.595 -9.642 1.00 0.00 H new ATOM 992 N ASP A 63 -5.851 -5.702 -7.589 1.00 0.00 N ATOM 993 CA ASP A 63 -6.274 -5.095 -6.333 1.00 0.00 C ATOM 994 C ASP A 63 -5.998 -3.594 -6.334 1.00 0.00 C ATOM 995 O ASP A 63 -6.866 -2.792 -5.988 1.00 0.00 O ATOM 996 CB ASP A 63 -5.558 -5.757 -5.155 1.00 0.00 C ATOM 997 CG ASP A 63 -5.826 -7.247 -5.077 1.00 0.00 C ATOM 998 OD1 ASP A 63 -7.009 -7.642 -5.146 1.00 0.00 O ATOM 999 OD2 ASP A 63 -4.853 -8.018 -4.949 1.00 0.00 O ATOM 0 H ASP A 63 -5.059 -6.339 -7.504 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.348 -5.248 -6.228 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.485 -5.588 -5.245 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.879 -5.284 -4.227 1.00 0.00 H new ATOM 1004 N LEU A 64 -4.784 -3.222 -6.725 1.00 0.00 N ATOM 1005 CA LEU A 64 -4.393 -1.817 -6.771 1.00 0.00 C ATOM 1006 C LEU A 64 -5.347 -1.014 -7.649 1.00 0.00 C ATOM 1007 O LEU A 64 -5.842 0.038 -7.244 1.00 0.00 O ATOM 1008 CB LEU A 64 -2.963 -1.683 -7.297 1.00 0.00 C ATOM 1009 CG LEU A 64 -2.525 -0.275 -7.701 1.00 0.00 C ATOM 1010 CD1 LEU A 64 -2.512 0.648 -6.492 1.00 0.00 C ATOM 1011 CD2 LEU A 64 -1.155 -0.310 -8.361 1.00 0.00 C ATOM 0 H LEU A 64 -4.054 -3.873 -7.015 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.440 -1.419 -5.757 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.280 -2.048 -6.530 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.852 -2.338 -8.161 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.244 0.114 -8.422 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.198 1.646 -6.799 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.512 0.699 -6.062 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.816 0.262 -5.747 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.860 0.701 -8.642 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.425 -0.720 -7.663 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.196 -0.936 -9.252 1.00 0.00 H new ATOM 1023 N ASP A 65 -5.603 -1.518 -8.851 1.00 0.00 N ATOM 1024 CA ASP A 65 -6.501 -0.850 -9.785 1.00 0.00 C ATOM 1025 C ASP A 65 -7.873 -0.629 -9.156 1.00 0.00 C ATOM 1026 O ASP A 65 -8.487 0.423 -9.335 1.00 0.00 O ATOM 1027 CB ASP A 65 -6.640 -1.671 -11.068 1.00 0.00 C ATOM 1028 CG ASP A 65 -6.905 -0.805 -12.284 1.00 0.00 C ATOM 1029 OD1 ASP A 65 -7.650 0.189 -12.154 1.00 0.00 O ATOM 1030 OD2 ASP A 65 -6.366 -1.121 -13.365 1.00 0.00 O ATOM 0 H ASP A 65 -5.201 -2.387 -9.201 1.00 0.00 H new ATOM 0 HA ASP A 65 -6.073 0.122 -10.030 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.729 -2.247 -11.228 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.453 -2.387 -10.951 1.00 0.00 H new ATOM 1035 N LYS A 66 -8.348 -1.627 -8.421 1.00 0.00 N ATOM 1036 CA LYS A 66 -9.648 -1.544 -7.765 1.00 0.00 C ATOM 1037 C LYS A 66 -9.580 -0.641 -6.537 1.00 0.00 C ATOM 1038 O LYS A 66 -10.601 -0.140 -6.066 1.00 0.00 O ATOM 1039 CB LYS A 66 -10.128 -2.939 -7.359 1.00 0.00 C ATOM 1040 CG LYS A 66 -10.919 -3.649 -8.444 1.00 0.00 C ATOM 1041 CD LYS A 66 -11.353 -5.036 -8.001 1.00 0.00 C ATOM 1042 CE LYS A 66 -10.197 -6.024 -8.047 1.00 0.00 C ATOM 1043 NZ LYS A 66 -10.538 -7.309 -7.376 1.00 0.00 N ATOM 0 H LYS A 66 -7.852 -2.504 -8.264 1.00 0.00 H new ATOM 0 HA LYS A 66 -10.357 -1.114 -8.472 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.264 -3.548 -7.093 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.747 -2.856 -6.465 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.797 -3.057 -8.702 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.312 -3.728 -9.346 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.751 -4.987 -6.987 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -12.160 -5.388 -8.644 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.926 -6.217 -9.085 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.324 -5.584 -7.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -9.725 -7.955 -7.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.772 -7.128 -6.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.356 -7.742 -7.851 1.00 0.00 H new ATOM 1057 N ALA A 67 -8.371 -0.436 -6.024 1.00 0.00 N ATOM 1058 CA ALA A 67 -8.171 0.409 -4.854 1.00 0.00 C ATOM 1059 C ALA A 67 -8.025 1.873 -5.253 1.00 0.00 C ATOM 1060 O ALA A 67 -8.421 2.772 -4.510 1.00 0.00 O ATOM 1061 CB ALA A 67 -6.948 -0.051 -4.073 1.00 0.00 C ATOM 0 H ALA A 67 -7.515 -0.844 -6.401 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.051 0.319 -4.217 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.811 0.589 -3.202 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.091 -1.081 -3.747 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.066 0.009 -4.710 1.00 0.00 H new ATOM 1067 N VAL A 68 -7.455 2.108 -6.430 1.00 0.00 N ATOM 1068 CA VAL A 68 -7.257 3.464 -6.928 1.00 0.00 C ATOM 1069 C VAL A 68 -8.539 4.015 -7.544 1.00 0.00 C ATOM 1070 O VAL A 68 -8.899 5.170 -7.319 1.00 0.00 O ATOM 1071 CB VAL A 68 -6.132 3.518 -7.978 1.00 0.00 C ATOM 1072 CG1 VAL A 68 -5.870 4.953 -8.407 1.00 0.00 C ATOM 1073 CG2 VAL A 68 -4.865 2.875 -7.434 1.00 0.00 C ATOM 0 H VAL A 68 -7.122 1.376 -7.057 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.975 4.078 -6.072 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.450 2.955 -8.855 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.072 4.971 -9.149 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.777 5.375 -8.839 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.573 5.543 -7.540 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.080 2.922 -8.189 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.541 3.408 -6.540 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.065 1.833 -7.182 1.00 0.00 H new ATOM 1083 N GLU A 69 -9.222 3.180 -8.320 1.00 0.00 N ATOM 1084 CA GLU A 69 -10.464 3.585 -8.969 1.00 0.00 C ATOM 1085 C GLU A 69 -11.540 3.901 -7.934 1.00 0.00 C ATOM 1086 O GLU A 69 -12.389 4.767 -8.149 1.00 0.00 O ATOM 1087 CB GLU A 69 -10.955 2.485 -9.912 1.00 0.00 C ATOM 1088 CG GLU A 69 -11.872 1.475 -9.244 1.00 0.00 C ATOM 1089 CD GLU A 69 -13.335 1.864 -9.337 1.00 0.00 C ATOM 1090 OE1 GLU A 69 -13.624 2.963 -9.854 1.00 0.00 O ATOM 1091 OE2 GLU A 69 -14.190 1.070 -8.892 1.00 0.00 O ATOM 0 H GLU A 69 -8.937 2.220 -8.515 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.265 4.487 -9.548 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.482 2.944 -10.749 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.093 1.962 -10.326 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.729 0.499 -9.707 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.593 1.374 -8.195 1.00 0.00 H new ATOM 1098 N LEU A 70 -11.499 3.192 -6.811 1.00 0.00 N ATOM 1099 CA LEU A 70 -12.470 3.395 -5.742 1.00 0.00 C ATOM 1100 C LEU A 70 -12.156 4.663 -4.954 1.00 0.00 C ATOM 1101 O LEU A 70 -13.059 5.335 -4.453 1.00 0.00 O ATOM 1102 CB LEU A 70 -12.484 2.188 -4.803 1.00 0.00 C ATOM 1103 CG LEU A 70 -11.510 2.242 -3.626 1.00 0.00 C ATOM 1104 CD1 LEU A 70 -12.080 3.091 -2.500 1.00 0.00 C ATOM 1105 CD2 LEU A 70 -11.193 0.839 -3.130 1.00 0.00 C ATOM 0 H LEU A 70 -10.804 2.471 -6.617 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.455 3.506 -6.196 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.493 2.072 -4.408 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.266 1.295 -5.389 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.583 2.703 -3.968 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.373 3.118 -1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.255 4.105 -2.861 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.022 2.660 -2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.498 0.898 -2.292 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.112 0.351 -2.806 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.741 0.261 -3.936 1.00 0.00 H new ATOM 1117 N LEU A 71 -10.872 4.986 -4.850 1.00 0.00 N ATOM 1118 CA LEU A 71 -10.438 6.175 -4.126 1.00 0.00 C ATOM 1119 C LEU A 71 -10.933 7.443 -4.814 1.00 0.00 C ATOM 1120 O LEU A 71 -11.579 8.287 -4.192 1.00 0.00 O ATOM 1121 CB LEU A 71 -8.912 6.202 -4.018 1.00 0.00 C ATOM 1122 CG LEU A 71 -8.270 7.587 -3.926 1.00 0.00 C ATOM 1123 CD1 LEU A 71 -8.567 8.225 -2.578 1.00 0.00 C ATOM 1124 CD2 LEU A 71 -6.769 7.495 -4.155 1.00 0.00 C ATOM 0 H LEU A 71 -10.113 4.441 -5.258 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.866 6.137 -3.124 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.620 5.629 -3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.497 5.688 -4.885 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.699 8.217 -4.705 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.102 9.210 -2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.645 8.326 -2.453 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.167 7.597 -1.782 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.329 8.490 -4.086 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.325 6.848 -3.399 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.577 7.081 -5.145 1.00 0.00 H new ATOM 1136 N ASP A 72 -10.628 7.569 -6.101 1.00 0.00 N ATOM 1137 CA ASP A 72 -11.044 8.732 -6.875 1.00 0.00 C ATOM 1138 C ASP A 72 -12.550 8.948 -6.764 1.00 0.00 C ATOM 1139 O ASP A 72 -13.007 10.031 -6.400 1.00 0.00 O ATOM 1140 CB ASP A 72 -10.647 8.564 -8.342 1.00 0.00 C ATOM 1141 CG ASP A 72 -10.465 9.893 -9.049 1.00 0.00 C ATOM 1142 OD1 ASP A 72 -11.402 10.717 -9.012 1.00 0.00 O ATOM 1143 OD2 ASP A 72 -9.386 10.108 -9.640 1.00 0.00 O ATOM 0 H ASP A 72 -10.094 6.880 -6.630 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.538 9.608 -6.468 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -9.720 7.994 -8.401 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.411 7.983 -8.858 1.00 0.00 H new ATOM 1148 N ARG A 73 -13.316 7.909 -7.082 1.00 0.00 N ATOM 1149 CA ARG A 73 -14.771 7.986 -7.021 1.00 0.00 C ATOM 1150 C ARG A 73 -15.242 8.246 -5.593 1.00 0.00 C ATOM 1151 O ARG A 73 -16.228 8.949 -5.373 1.00 0.00 O ATOM 1152 CB ARG A 73 -15.394 6.691 -7.546 1.00 0.00 C ATOM 1153 CG ARG A 73 -15.277 5.523 -6.580 1.00 0.00 C ATOM 1154 CD ARG A 73 -15.921 4.266 -7.144 1.00 0.00 C ATOM 1155 NE ARG A 73 -17.358 4.225 -6.889 1.00 0.00 N ATOM 1156 CZ ARG A 73 -17.886 4.119 -5.674 1.00 0.00 C ATOM 1157 NH1 ARG A 73 -17.098 4.045 -4.610 1.00 0.00 N ATOM 1158 NH2 ARG A 73 -19.203 4.088 -5.522 1.00 0.00 N ATOM 0 H ARG A 73 -12.954 7.005 -7.384 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.092 8.817 -7.649 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -16.447 6.867 -7.764 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.914 6.423 -8.487 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.226 5.330 -6.367 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.752 5.783 -5.634 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -15.742 4.218 -8.218 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.449 3.388 -6.703 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.991 4.281 -7.687 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -16.085 4.069 -4.723 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -17.505 3.964 -3.678 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.812 4.146 -6.338 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -19.607 4.007 -4.589 1.00 0.00 H new ATOM 1172 N SER A 74 -14.530 7.675 -4.627 1.00 0.00 N ATOM 1173 CA SER A 74 -14.878 7.842 -3.221 1.00 0.00 C ATOM 1174 C SER A 74 -14.619 9.274 -2.763 1.00 0.00 C ATOM 1175 O SER A 74 -13.480 9.652 -2.485 1.00 0.00 O ATOM 1176 CB SER A 74 -14.077 6.866 -2.356 1.00 0.00 C ATOM 1177 OG SER A 74 -14.592 5.550 -2.462 1.00 0.00 O ATOM 0 H SER A 74 -13.709 7.093 -4.792 1.00 0.00 H new ATOM 0 HA SER A 74 -15.941 7.629 -3.108 1.00 0.00 H new ATOM 0 HB2 SER A 74 -13.031 6.877 -2.663 1.00 0.00 H new ATOM 0 HB3 SER A 74 -14.107 7.189 -1.315 1.00 0.00 H new ATOM 0 HG SER A 74 -14.483 5.229 -3.381 1.00 0.00 H new ATOM 1183 N ILE A 75 -15.683 10.066 -2.689 1.00 0.00 N ATOM 1184 CA ILE A 75 -15.572 11.456 -2.264 1.00 0.00 C ATOM 1185 C ILE A 75 -15.182 11.553 -0.793 1.00 0.00 C ATOM 1186 O ILE A 75 -14.225 12.241 -0.437 1.00 0.00 O ATOM 1187 CB ILE A 75 -16.891 12.220 -2.486 1.00 0.00 C ATOM 1188 CG1 ILE A 75 -17.284 12.184 -3.964 1.00 0.00 C ATOM 1189 CG2 ILE A 75 -16.760 13.656 -2.001 1.00 0.00 C ATOM 1190 CD1 ILE A 75 -16.329 12.939 -4.862 1.00 0.00 C ATOM 0 H ILE A 75 -16.632 9.769 -2.918 1.00 0.00 H new ATOM 0 HA ILE A 75 -14.791 11.910 -2.874 1.00 0.00 H new ATOM 0 HB ILE A 75 -17.677 11.733 -1.909 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -17.335 11.146 -4.293 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -18.284 12.604 -4.076 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -17.700 14.183 -2.165 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -16.522 13.661 -0.937 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -15.964 14.155 -2.553 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -16.670 12.871 -5.895 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -16.296 13.986 -4.559 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -15.332 12.505 -4.780 1.00 0.00 H new ATOM 1202 N HIS A 76 -15.930 10.857 0.058 1.00 0.00 N ATOM 1203 CA HIS A 76 -15.661 10.862 1.492 1.00 0.00 C ATOM 1204 C HIS A 76 -14.173 10.669 1.766 1.00 0.00 C ATOM 1205 O HIS A 76 -13.566 11.434 2.515 1.00 0.00 O ATOM 1206 CB HIS A 76 -16.467 9.764 2.187 1.00 0.00 C ATOM 1207 CG HIS A 76 -16.562 8.498 1.393 1.00 0.00 C ATOM 1208 ND1 HIS A 76 -17.281 8.199 0.285 1.00 0.00 N flip ATOM 1209 CD2 HIS A 76 -15.864 7.353 1.715 1.00 0.00 C flip ATOM 1210 CE1 HIS A 76 -17.006 6.893 -0.038 1.00 0.00 C flip ATOM 1211 NE2 HIS A 76 -16.148 6.406 0.840 1.00 0.00 N flip ATOM 0 H HIS A 76 -16.726 10.283 -0.220 1.00 0.00 H new ATOM 0 HA HIS A 76 -15.963 11.831 1.890 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -16.010 9.545 3.152 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -17.473 10.134 2.387 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -15.190 7.247 2.552 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -17.424 6.352 -0.874 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -15.769 5.459 0.842 1.00 0.00 H new ATOM 1220 N MET A 77 -13.592 9.641 1.156 1.00 0.00 N ATOM 1221 CA MET A 77 -12.175 9.348 1.335 1.00 0.00 C ATOM 1222 C MET A 77 -11.311 10.459 0.746 1.00 0.00 C ATOM 1223 O MET A 77 -11.759 11.216 -0.116 1.00 0.00 O ATOM 1224 CB MET A 77 -11.822 8.011 0.681 1.00 0.00 C ATOM 1225 CG MET A 77 -10.651 7.301 1.341 1.00 0.00 C ATOM 1226 SD MET A 77 -10.693 5.516 1.095 1.00 0.00 S ATOM 1227 CE MET A 77 -9.473 5.325 -0.203 1.00 0.00 C ATOM 0 H MET A 77 -14.081 8.997 0.534 1.00 0.00 H new ATOM 0 HA MET A 77 -11.975 9.285 2.405 1.00 0.00 H new ATOM 0 HB2 MET A 77 -12.695 7.359 0.712 1.00 0.00 H new ATOM 0 HB3 MET A 77 -11.588 8.181 -0.370 1.00 0.00 H new ATOM 0 HG2 MET A 77 -9.718 7.697 0.940 1.00 0.00 H new ATOM 0 HG3 MET A 77 -10.656 7.517 2.409 1.00 0.00 H new ATOM 0 HE1 MET A 77 -9.659 4.397 -0.743 1.00 0.00 H new ATOM 0 HE2 MET A 77 -9.541 6.166 -0.893 1.00 0.00 H new ATOM 0 HE3 MET A 77 -8.476 5.296 0.236 1.00 0.00 H new ATOM 1237 N LYS A 78 -10.072 10.551 1.216 1.00 0.00 N ATOM 1238 CA LYS A 78 -9.145 11.569 0.736 1.00 0.00 C ATOM 1239 C LYS A 78 -8.018 10.938 -0.076 1.00 0.00 C ATOM 1240 O LYS A 78 -7.785 11.310 -1.226 1.00 0.00 O ATOM 1241 CB LYS A 78 -8.562 12.354 1.913 1.00 0.00 C ATOM 1242 CG LYS A 78 -7.423 13.280 1.523 1.00 0.00 C ATOM 1243 CD LYS A 78 -7.358 14.497 2.430 1.00 0.00 C ATOM 1244 CE LYS A 78 -6.235 15.437 2.022 1.00 0.00 C ATOM 1245 NZ LYS A 78 -6.690 16.443 1.022 1.00 0.00 N ATOM 0 H LYS A 78 -9.686 9.932 1.929 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.697 12.252 0.090 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.355 12.942 2.375 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.206 11.651 2.667 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.479 12.738 1.572 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.552 13.602 0.490 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.309 15.028 2.396 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.209 14.176 3.461 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.852 15.950 2.904 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.410 14.859 1.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.896 17.065 0.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.032 15.955 0.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.460 17.012 1.428 1.00 0.00 H new ATOM 1259 N SER A 79 -7.322 9.982 0.530 1.00 0.00 N ATOM 1260 CA SER A 79 -6.218 9.301 -0.136 1.00 0.00 C ATOM 1261 C SER A 79 -6.272 7.798 0.120 1.00 0.00 C ATOM 1262 O SER A 79 -7.132 7.312 0.856 1.00 0.00 O ATOM 1263 CB SER A 79 -4.879 9.864 0.346 1.00 0.00 C ATOM 1264 OG SER A 79 -4.774 9.792 1.757 1.00 0.00 O ATOM 0 H SER A 79 -7.503 9.661 1.481 1.00 0.00 H new ATOM 0 HA SER A 79 -6.312 9.473 -1.208 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.061 9.307 -0.112 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.779 10.900 0.023 1.00 0.00 H new ATOM 0 HG SER A 79 -3.909 10.156 2.040 1.00 0.00 H new ATOM 1270 N LEU A 80 -5.349 7.066 -0.494 1.00 0.00 N ATOM 1271 CA LEU A 80 -5.290 5.617 -0.333 1.00 0.00 C ATOM 1272 C LEU A 80 -4.457 5.238 0.887 1.00 0.00 C ATOM 1273 O LEU A 80 -3.233 5.130 0.809 1.00 0.00 O ATOM 1274 CB LEU A 80 -4.702 4.969 -1.588 1.00 0.00 C ATOM 1275 CG LEU A 80 -4.759 3.442 -1.644 1.00 0.00 C ATOM 1276 CD1 LEU A 80 -6.168 2.972 -1.969 1.00 0.00 C ATOM 1277 CD2 LEU A 80 -3.768 2.909 -2.668 1.00 0.00 C ATOM 0 H LEU A 80 -4.631 7.452 -1.108 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.306 5.251 -0.184 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.228 5.364 -2.457 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.660 5.277 -1.678 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.485 3.051 -0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.189 1.883 -2.005 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.855 3.323 -1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.471 3.373 -2.936 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.822 1.821 -2.694 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.012 3.309 -3.652 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.759 3.215 -2.392 1.00 0.00 H new ATOM 1289 N LYS A 81 -5.130 5.034 2.015 1.00 0.00 N ATOM 1290 CA LYS A 81 -4.454 4.662 3.253 1.00 0.00 C ATOM 1291 C LYS A 81 -3.765 3.309 3.111 1.00 0.00 C ATOM 1292 O LYS A 81 -4.404 2.308 2.787 1.00 0.00 O ATOM 1293 CB LYS A 81 -5.453 4.620 4.411 1.00 0.00 C ATOM 1294 CG LYS A 81 -4.797 4.555 5.779 1.00 0.00 C ATOM 1295 CD LYS A 81 -5.763 4.956 6.881 1.00 0.00 C ATOM 1296 CE LYS A 81 -5.101 4.906 8.249 1.00 0.00 C ATOM 1297 NZ LYS A 81 -4.159 6.042 8.451 1.00 0.00 N ATOM 0 H LYS A 81 -6.143 5.120 2.097 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.695 5.415 3.464 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.088 5.504 4.364 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.103 3.754 4.288 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.435 3.543 5.962 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -3.928 5.213 5.798 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.134 5.963 6.692 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.626 4.291 6.869 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.867 4.927 9.024 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.563 3.964 8.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.268 5.687 8.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.968 6.501 7.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.582 6.732 9.104 1.00 0.00 H new ATOM 1311 N ILE A 82 -2.460 3.286 3.359 1.00 0.00 N ATOM 1312 CA ILE A 82 -1.686 2.054 3.261 1.00 0.00 C ATOM 1313 C ILE A 82 -0.991 1.735 4.581 1.00 0.00 C ATOM 1314 O ILE A 82 -0.529 2.635 5.285 1.00 0.00 O ATOM 1315 CB ILE A 82 -0.629 2.140 2.145 1.00 0.00 C ATOM 1316 CG1 ILE A 82 -1.295 2.461 0.805 1.00 0.00 C ATOM 1317 CG2 ILE A 82 0.154 0.839 2.055 1.00 0.00 C ATOM 1318 CD1 ILE A 82 -1.991 1.274 0.177 1.00 0.00 C ATOM 0 H ILE A 82 -1.916 4.106 3.629 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.390 1.257 3.022 1.00 0.00 H new ATOM 0 HB ILE A 82 0.067 2.944 2.385 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.020 3.262 0.951 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.540 2.837 0.114 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.897 0.916 1.261 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.655 0.649 3.004 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.528 0.018 1.835 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.440 1.575 -0.770 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.266 0.480 -0.001 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.769 0.911 0.849 1.00 0.00 H new ATOM 1330 N LEU A 83 -0.919 0.451 4.910 1.00 0.00 N ATOM 1331 CA LEU A 83 -0.278 0.012 6.144 1.00 0.00 C ATOM 1332 C LEU A 83 0.924 -0.879 5.847 1.00 0.00 C ATOM 1333 O LEU A 83 0.771 -2.035 5.451 1.00 0.00 O ATOM 1334 CB LEU A 83 -1.280 -0.740 7.023 1.00 0.00 C ATOM 1335 CG LEU A 83 -2.371 0.110 7.675 1.00 0.00 C ATOM 1336 CD1 LEU A 83 -1.783 0.986 8.770 1.00 0.00 C ATOM 1337 CD2 LEU A 83 -3.078 0.962 6.631 1.00 0.00 C ATOM 0 H LEU A 83 -1.297 -0.305 4.339 1.00 0.00 H new ATOM 0 HA LEU A 83 0.072 0.896 6.677 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.760 -1.508 6.417 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.728 -1.254 7.810 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.104 -0.559 8.127 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.575 1.584 9.222 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.323 0.357 9.532 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.029 1.647 8.342 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.851 1.560 7.113 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.356 1.622 6.150 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.534 0.315 5.882 1.00 0.00 H new ATOM 1349 N LEU A 84 2.120 -0.335 6.044 1.00 0.00 N ATOM 1350 CA LEU A 84 3.349 -1.081 5.799 1.00 0.00 C ATOM 1351 C LEU A 84 3.597 -2.101 6.907 1.00 0.00 C ATOM 1352 O LEU A 84 3.785 -1.738 8.068 1.00 0.00 O ATOM 1353 CB LEU A 84 4.538 -0.124 5.697 1.00 0.00 C ATOM 1354 CG LEU A 84 4.556 0.795 4.475 1.00 0.00 C ATOM 1355 CD1 LEU A 84 5.761 1.721 4.521 1.00 0.00 C ATOM 1356 CD2 LEU A 84 4.558 -0.022 3.192 1.00 0.00 C ATOM 0 H LEU A 84 2.265 0.620 6.373 1.00 0.00 H new ATOM 0 HA LEU A 84 3.238 -1.616 4.856 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.558 0.496 6.593 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.455 -0.714 5.697 1.00 0.00 H new ATOM 0 HG LEU A 84 3.653 1.406 4.491 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.757 2.367 3.643 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.716 2.332 5.422 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.675 1.128 4.530 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.571 0.649 2.333 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.442 -0.659 3.168 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.663 -0.642 3.154 1.00 0.00 H new ATOM 1368 N VAL A 85 3.597 -3.378 6.539 1.00 0.00 N ATOM 1369 CA VAL A 85 3.825 -4.451 7.500 1.00 0.00 C ATOM 1370 C VAL A 85 5.113 -5.205 7.186 1.00 0.00 C ATOM 1371 O VAL A 85 5.320 -5.657 6.060 1.00 0.00 O ATOM 1372 CB VAL A 85 2.651 -5.447 7.518 1.00 0.00 C ATOM 1373 CG1 VAL A 85 2.897 -6.544 8.542 1.00 0.00 C ATOM 1374 CG2 VAL A 85 1.344 -4.723 7.804 1.00 0.00 C ATOM 0 H VAL A 85 3.442 -3.695 5.582 1.00 0.00 H new ATOM 0 HA VAL A 85 3.910 -3.985 8.481 1.00 0.00 H new ATOM 0 HB VAL A 85 2.576 -5.911 6.535 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.057 -7.238 8.540 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.811 -7.080 8.288 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.999 -6.101 9.533 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.524 -5.442 7.813 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.406 -4.231 8.774 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.164 -3.977 7.030 1.00 0.00 H new ATOM 1384 N ILE A 86 5.973 -5.338 8.190 1.00 0.00 N ATOM 1385 CA ILE A 86 7.240 -6.040 8.021 1.00 0.00 C ATOM 1386 C ILE A 86 7.025 -7.427 7.425 1.00 0.00 C ATOM 1387 O ILE A 86 6.068 -8.119 7.768 1.00 0.00 O ATOM 1388 CB ILE A 86 7.988 -6.179 9.360 1.00 0.00 C ATOM 1389 CG1 ILE A 86 8.243 -4.801 9.973 1.00 0.00 C ATOM 1390 CG2 ILE A 86 9.299 -6.925 9.158 1.00 0.00 C ATOM 1391 CD1 ILE A 86 9.095 -3.901 9.105 1.00 0.00 C ATOM 0 H ILE A 86 5.816 -4.969 9.128 1.00 0.00 H new ATOM 0 HA ILE A 86 7.843 -5.443 7.337 1.00 0.00 H new ATOM 0 HB ILE A 86 7.367 -6.752 10.048 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.286 -4.313 10.159 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.730 -4.927 10.940 1.00 0.00 H new ATOM 0 HG21 ILE A 86 9.817 -7.016 10.113 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.094 -7.919 8.760 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.926 -6.375 8.456 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.234 -2.941 9.603 1.00 0.00 H new ATOM 0 HD12 ILE A 86 10.066 -4.368 8.939 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.599 -3.744 8.147 1.00 0.00 H new