USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 649 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 69 CYS SG : rot 163:sc= -0.712 USER MOD Set 1.2: A 72 CYS SG : rot -37:sc= -0.361 USER MOD Set 1.3: A 91 HIS : no HE2:sc= -0.682 K(o=-2.2,f=-7.7!) USER MOD Set 1.4: A 94 CYS SG : rot 169:sc= -0.442 USER MOD Set 2.1: A 36 CYS SG : rot 149:sc= -0.112 USER MOD Set 2.2: A 39 CYS SG : rot -54:sc= 0.279 USER MOD Set 2.3: A 57 CYS SG : rot -54:sc= 0.349 USER MOD Set 2.4: A 60 CYS SG : rot 154:sc= -0.327 USER MOD Set 3.1: A 8 CYS SG : rot -149:sc= -1.58 USER MOD Set 3.2: A 11 CYS SG : rot 180:sc= -1.98 USER MOD Set 3.3: A 30 HIS : no HE2:sc= -4.58! C(o=-9!,f=-15!) USER MOD Set 3.4: A 33 CYS SG : rot 55:sc= -0.842 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -136:sc= 0 (180deg=-1.37!) USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -1.93 K(o=-1.9,f=-1.2) USER MOD Single : A 45 ASN : amide:sc= -0.0498 X(o=-0.05,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ -170:sc= 0.00536 (180deg=0.00222) USER MOD Single : A 58 ASN : amide:sc= -0.0924 K(o=-0.092,f=-0.71) USER MOD Single : A 59 LYS NZ :NH3+ -144:sc= 0.0798 (180deg=-0.228) USER MOD Single : A 61 THR OG1 : rot 2:sc= -0.0486 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 158:sc= 0.0117 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.0277 K(o=-0.028,f=-1.6!) USER MOD Single : A 82 ASN : amide:sc=-0.00616 X(o=-0.0062,f=-0.0011) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -150:sc= 0.0541 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -4.617 17.636 -12.742 1.00 0.00 N ATOM 60 CA GLY A 7 -5.063 17.067 -11.484 1.00 0.00 C ATOM 61 C GLY A 7 -4.834 15.571 -11.411 1.00 0.00 C ATOM 62 O GLY A 7 -4.307 14.969 -12.347 1.00 0.00 O ATOM 0 HA2 GLY A 7 -4.537 17.553 -10.662 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.124 17.276 -11.350 1.00 0.00 H new ATOM 66 N CYS A 8 -5.229 14.967 -10.295 1.00 0.00 N ATOM 67 CA CYS A 8 -5.063 13.532 -10.101 1.00 0.00 C ATOM 68 C CYS A 8 -6.334 12.780 -10.485 1.00 0.00 C ATOM 69 O CYS A 8 -7.442 13.294 -10.330 1.00 0.00 O ATOM 70 CB CYS A 8 -4.699 13.232 -8.645 1.00 0.00 C ATOM 71 SG CYS A 8 -4.120 11.528 -8.360 1.00 0.00 S ATOM 0 H CYS A 8 -5.667 15.450 -9.511 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.253 13.194 -10.748 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.922 13.927 -8.325 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.571 13.418 -8.018 1.00 0.00 H new ATOM 0 HG CYS A 8 -4.454 11.151 -7.162 1.00 0.00 H new ATOM 76 N VAL A 9 -6.165 11.561 -10.985 1.00 0.00 N ATOM 77 CA VAL A 9 -7.298 10.737 -11.390 1.00 0.00 C ATOM 78 C VAL A 9 -7.682 9.752 -10.291 1.00 0.00 C ATOM 79 O VAL A 9 -8.716 9.089 -10.371 1.00 0.00 O ATOM 80 CB VAL A 9 -6.991 9.955 -12.681 1.00 0.00 C ATOM 81 CG1 VAL A 9 -6.511 10.897 -13.774 1.00 0.00 C ATOM 82 CG2 VAL A 9 -5.961 8.868 -12.412 1.00 0.00 C ATOM 0 H VAL A 9 -5.254 11.122 -11.120 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.132 11.414 -11.574 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.909 9.477 -13.024 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.299 10.327 -14.678 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.285 11.635 -13.984 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.605 11.405 -13.444 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.756 8.325 -13.335 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.040 9.322 -12.045 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.348 8.177 -11.663 1.00 0.00 H new ATOM 92 N GLU A 10 -6.841 9.661 -9.265 1.00 0.00 N ATOM 93 CA GLU A 10 -7.093 8.756 -8.150 1.00 0.00 C ATOM 94 C GLU A 10 -8.001 9.410 -7.112 1.00 0.00 C ATOM 95 O GLU A 10 -9.061 8.881 -6.777 1.00 0.00 O ATOM 96 CB GLU A 10 -5.774 8.337 -7.497 1.00 0.00 C ATOM 97 CG GLU A 10 -5.185 7.063 -8.078 1.00 0.00 C ATOM 98 CD GLU A 10 -5.907 5.817 -7.602 1.00 0.00 C ATOM 99 OE1 GLU A 10 -6.341 5.794 -6.431 1.00 0.00 O ATOM 100 OE2 GLU A 10 -6.038 4.865 -8.400 1.00 0.00 O ATOM 0 H GLU A 10 -5.980 10.202 -9.183 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.595 7.871 -8.540 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.051 9.145 -7.608 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.936 8.198 -6.428 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.228 7.110 -9.166 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.132 6.996 -7.804 1.00 0.00 H new ATOM 107 N CYS A 11 -7.578 10.565 -6.608 1.00 0.00 N ATOM 108 CA CYS A 11 -8.351 11.292 -5.608 1.00 0.00 C ATOM 109 C CYS A 11 -9.032 12.509 -6.227 1.00 0.00 C ATOM 110 O CYS A 11 -9.508 13.395 -5.517 1.00 0.00 O ATOM 111 CB CYS A 11 -7.447 11.731 -4.455 1.00 0.00 C ATOM 112 SG CYS A 11 -5.951 12.626 -4.982 1.00 0.00 S ATOM 0 H CYS A 11 -6.704 11.017 -6.876 1.00 0.00 H new ATOM 0 HA CYS A 11 -9.121 10.623 -5.223 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -8.020 12.368 -3.781 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -7.149 10.851 -3.886 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.252 12.957 -3.937 1.00 0.00 H new ATOM 117 N ARG A 12 -9.074 12.546 -7.555 1.00 0.00 N ATOM 118 CA ARG A 12 -9.695 13.654 -8.270 1.00 0.00 C ATOM 119 C ARG A 12 -9.371 14.985 -7.597 1.00 0.00 C ATOM 120 O ARG A 12 -10.215 15.878 -7.525 1.00 0.00 O ATOM 121 CB ARG A 12 -11.211 13.460 -8.337 1.00 0.00 C ATOM 122 CG ARG A 12 -11.658 12.533 -9.455 1.00 0.00 C ATOM 123 CD ARG A 12 -11.513 11.072 -9.060 1.00 0.00 C ATOM 124 NE ARG A 12 -12.649 10.603 -8.272 1.00 0.00 N ATOM 125 CZ ARG A 12 -12.879 9.322 -8.004 1.00 0.00 C ATOM 126 NH1 ARG A 12 -12.054 8.388 -8.458 1.00 0.00 N ATOM 127 NH2 ARG A 12 -13.934 8.974 -7.279 1.00 0.00 N ATOM 0 H ARG A 12 -8.685 11.821 -8.158 1.00 0.00 H new ATOM 0 HA ARG A 12 -9.293 13.671 -9.283 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -11.560 13.061 -7.385 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -11.687 14.431 -8.470 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -12.698 12.741 -9.708 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -11.067 12.729 -10.350 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.418 10.461 -9.958 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.595 10.941 -8.487 1.00 0.00 H new ATOM 0 HE ARG A 12 -13.302 11.297 -7.907 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.241 8.652 -9.014 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -12.233 7.405 -8.251 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -14.569 9.690 -6.927 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.110 7.990 -7.074 1.00 0.00 H new ATOM 141 N LYS A 13 -8.143 15.109 -7.105 1.00 0.00 N ATOM 142 CA LYS A 13 -7.706 16.330 -6.438 1.00 0.00 C ATOM 143 C LYS A 13 -6.679 17.074 -7.285 1.00 0.00 C ATOM 144 O LYS A 13 -5.998 16.494 -8.132 1.00 0.00 O ATOM 145 CB LYS A 13 -7.111 16.002 -5.067 1.00 0.00 C ATOM 146 CG LYS A 13 -8.155 15.682 -4.012 1.00 0.00 C ATOM 147 CD LYS A 13 -8.561 16.924 -3.236 1.00 0.00 C ATOM 148 CE LYS A 13 -9.830 16.688 -2.431 1.00 0.00 C ATOM 149 NZ LYS A 13 -10.589 17.950 -2.209 1.00 0.00 N ATOM 0 H LYS A 13 -7.433 14.379 -7.156 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.576 16.973 -6.305 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.436 15.152 -5.167 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.512 16.847 -4.729 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.033 15.246 -4.488 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.761 14.934 -3.324 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.753 17.216 -2.566 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.716 17.752 -3.928 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.463 15.971 -2.953 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.573 16.245 -1.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.447 17.747 -1.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.994 18.626 -1.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.857 18.360 -3.126 1.00 0.00 H new ATOM 163 N PRO A 14 -6.560 18.390 -7.053 1.00 0.00 N ATOM 164 CA PRO A 14 -5.617 19.241 -7.784 1.00 0.00 C ATOM 165 C PRO A 14 -4.166 18.947 -7.416 1.00 0.00 C ATOM 166 O PRO A 14 -3.855 18.665 -6.258 1.00 0.00 O ATOM 167 CB PRO A 14 -6.003 20.656 -7.346 1.00 0.00 C ATOM 168 CG PRO A 14 -6.640 20.479 -6.011 1.00 0.00 C ATOM 169 CD PRO A 14 -7.339 19.148 -6.060 1.00 0.00 C ATOM 0 HA PRO A 14 -5.675 19.083 -8.861 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.128 21.304 -7.285 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.691 21.116 -8.055 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.894 20.499 -5.217 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.346 21.284 -5.806 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -7.336 18.657 -5.087 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.381 19.252 -6.361 1.00 0.00 H new ATOM 177 N ILE A 15 -3.284 19.014 -8.407 1.00 0.00 N ATOM 178 CA ILE A 15 -1.867 18.756 -8.186 1.00 0.00 C ATOM 179 C ILE A 15 -1.044 20.029 -8.353 1.00 0.00 C ATOM 180 O ILE A 15 -1.344 20.869 -9.200 1.00 0.00 O ATOM 181 CB ILE A 15 -1.332 17.683 -9.153 1.00 0.00 C ATOM 182 CG1 ILE A 15 -2.055 16.354 -8.924 1.00 0.00 C ATOM 183 CG2 ILE A 15 0.169 17.513 -8.979 1.00 0.00 C ATOM 184 CD1 ILE A 15 -1.766 15.318 -9.988 1.00 0.00 C ATOM 0 H ILE A 15 -3.526 19.245 -9.371 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.769 18.393 -7.163 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.524 18.008 -10.175 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.766 15.955 -7.952 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.129 16.536 -8.887 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.531 16.751 -9.669 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.669 18.459 -9.187 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.384 17.207 -7.955 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.311 14.402 -9.761 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.081 15.697 -10.960 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.697 15.108 -10.010 1.00 0.00 H new ATOM 196 N GLY A 16 -0.001 20.164 -7.538 1.00 0.00 N ATOM 197 CA GLY A 16 0.850 21.337 -7.612 1.00 0.00 C ATOM 198 C GLY A 16 2.074 21.111 -8.478 1.00 0.00 C ATOM 199 O GLY A 16 2.248 20.035 -9.050 1.00 0.00 O ATOM 0 H GLY A 16 0.269 19.482 -6.829 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.276 22.174 -8.010 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.166 21.617 -6.607 1.00 0.00 H new ATOM 203 N ALA A 17 2.923 22.128 -8.576 1.00 0.00 N ATOM 204 CA ALA A 17 4.137 22.035 -9.378 1.00 0.00 C ATOM 205 C ALA A 17 5.289 21.453 -8.566 1.00 0.00 C ATOM 206 O ALA A 17 6.033 20.600 -9.051 1.00 0.00 O ATOM 207 CB ALA A 17 4.514 23.404 -9.925 1.00 0.00 C ATOM 0 H ALA A 17 2.793 23.026 -8.110 1.00 0.00 H new ATOM 0 HA ALA A 17 3.940 21.363 -10.213 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.422 23.320 -10.522 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.704 23.782 -10.548 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.686 24.092 -9.097 1.00 0.00 H new ATOM 213 N ASP A 18 5.430 21.918 -7.330 1.00 0.00 N ATOM 214 CA ASP A 18 6.491 21.443 -6.451 1.00 0.00 C ATOM 215 C ASP A 18 6.252 19.991 -6.046 1.00 0.00 C ATOM 216 O ASP A 18 7.197 19.241 -5.801 1.00 0.00 O ATOM 217 CB ASP A 18 6.583 22.324 -5.204 1.00 0.00 C ATOM 218 CG ASP A 18 7.091 23.718 -5.517 1.00 0.00 C ATOM 219 OD1 ASP A 18 8.169 23.832 -6.138 1.00 0.00 O ATOM 220 OD2 ASP A 18 6.411 24.695 -5.140 1.00 0.00 O ATOM 0 H ASP A 18 4.822 22.624 -6.914 1.00 0.00 H new ATOM 0 HA ASP A 18 7.433 21.499 -6.997 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.600 22.395 -4.739 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.246 21.853 -4.478 1.00 0.00 H new ATOM 225 N SER A 19 4.983 19.603 -5.978 1.00 0.00 N ATOM 226 CA SER A 19 4.620 18.242 -5.599 1.00 0.00 C ATOM 227 C SER A 19 5.043 17.247 -6.674 1.00 0.00 C ATOM 228 O SER A 19 4.804 17.460 -7.863 1.00 0.00 O ATOM 229 CB SER A 19 3.112 18.143 -5.360 1.00 0.00 C ATOM 230 OG SER A 19 2.714 18.953 -4.267 1.00 0.00 O ATOM 0 H SER A 19 4.189 20.211 -6.180 1.00 0.00 H new ATOM 0 HA SER A 19 5.144 17.996 -4.676 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.577 18.451 -6.259 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.839 17.106 -5.166 1.00 0.00 H new ATOM 0 HG SER A 19 1.746 18.873 -4.136 1.00 0.00 H new ATOM 236 N LYS A 20 5.672 16.157 -6.248 1.00 0.00 N ATOM 237 CA LYS A 20 6.129 15.126 -7.173 1.00 0.00 C ATOM 238 C LYS A 20 4.946 14.434 -7.842 1.00 0.00 C ATOM 239 O LYS A 20 4.276 13.601 -7.232 1.00 0.00 O ATOM 240 CB LYS A 20 6.986 14.095 -6.436 1.00 0.00 C ATOM 241 CG LYS A 20 8.286 14.662 -5.892 1.00 0.00 C ATOM 242 CD LYS A 20 9.380 13.608 -5.849 1.00 0.00 C ATOM 243 CE LYS A 20 10.636 14.135 -5.172 1.00 0.00 C ATOM 244 NZ LYS A 20 11.790 13.211 -5.348 1.00 0.00 N ATOM 0 H LYS A 20 5.877 15.964 -5.268 1.00 0.00 H new ATOM 0 HA LYS A 20 6.731 15.605 -7.945 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.408 13.677 -5.611 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.214 13.273 -7.114 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.608 15.497 -6.514 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.120 15.057 -4.890 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.019 12.729 -5.315 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.619 13.289 -6.863 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.887 15.113 -5.583 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.443 14.277 -4.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.626 13.606 -4.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.560 12.286 -4.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.991 13.095 -6.362 1.00 0.00 H new ATOM 258 N GLU A 21 4.697 14.782 -9.101 1.00 0.00 N ATOM 259 CA GLU A 21 3.595 14.193 -9.852 1.00 0.00 C ATOM 260 C GLU A 21 4.114 13.207 -10.896 1.00 0.00 C ATOM 261 O GLU A 21 5.269 13.282 -11.317 1.00 0.00 O ATOM 262 CB GLU A 21 2.771 15.287 -10.534 1.00 0.00 C ATOM 263 CG GLU A 21 3.548 16.076 -11.574 1.00 0.00 C ATOM 264 CD GLU A 21 4.463 17.114 -10.955 1.00 0.00 C ATOM 265 OE1 GLU A 21 3.957 18.177 -10.538 1.00 0.00 O ATOM 266 OE2 GLU A 21 5.685 16.864 -10.888 1.00 0.00 O ATOM 0 H GLU A 21 5.243 15.468 -9.622 1.00 0.00 H new ATOM 0 HA GLU A 21 2.959 13.653 -9.151 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.902 14.832 -11.010 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.396 15.974 -9.775 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.141 15.389 -12.178 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.848 16.570 -12.248 1.00 0.00 H new ATOM 273 N VAL A 22 3.252 12.283 -11.308 1.00 0.00 N ATOM 274 CA VAL A 22 3.622 11.282 -12.302 1.00 0.00 C ATOM 275 C VAL A 22 2.697 11.342 -13.512 1.00 0.00 C ATOM 276 O VAL A 22 1.555 10.884 -13.457 1.00 0.00 O ATOM 277 CB VAL A 22 3.584 9.861 -11.709 1.00 0.00 C ATOM 278 CG1 VAL A 22 4.023 8.838 -12.745 1.00 0.00 C ATOM 279 CG2 VAL A 22 4.454 9.780 -10.464 1.00 0.00 C ATOM 0 H VAL A 22 2.293 12.207 -10.969 1.00 0.00 H new ATOM 0 HA VAL A 22 4.641 11.509 -12.616 1.00 0.00 H new ATOM 0 HB VAL A 22 2.558 9.633 -11.422 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.990 7.840 -12.308 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.354 8.880 -13.604 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.041 9.059 -13.067 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.415 8.769 -10.058 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.483 10.028 -10.723 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.088 10.485 -9.718 1.00 0.00 H new ATOM 289 N HIS A 23 3.197 11.907 -14.606 1.00 0.00 N ATOM 290 CA HIS A 23 2.415 12.026 -15.831 1.00 0.00 C ATOM 291 C HIS A 23 2.599 10.795 -16.714 1.00 0.00 C ATOM 292 O HIS A 23 3.689 10.545 -17.229 1.00 0.00 O ATOM 293 CB HIS A 23 2.820 13.284 -16.600 1.00 0.00 C ATOM 294 CG HIS A 23 2.316 13.312 -18.010 1.00 0.00 C ATOM 295 ND1 HIS A 23 3.148 13.414 -19.105 1.00 0.00 N ATOM 296 CD2 HIS A 23 1.056 13.249 -18.501 1.00 0.00 C ATOM 297 CE1 HIS A 23 2.422 13.415 -20.208 1.00 0.00 C ATOM 298 NE2 HIS A 23 1.149 13.315 -19.870 1.00 0.00 N ATOM 0 H HIS A 23 4.140 12.290 -14.669 1.00 0.00 H new ATOM 0 HA HIS A 23 1.363 12.101 -15.555 1.00 0.00 H new ATOM 0 HB2 HIS A 23 2.444 14.160 -16.071 1.00 0.00 H new ATOM 0 HB3 HIS A 23 3.907 13.360 -16.610 1.00 0.00 H new ATOM 0 HD2 HIS A 23 0.147 13.163 -17.924 1.00 0.00 H new ATOM 0 HE1 HIS A 23 2.804 13.486 -21.216 1.00 0.00 H new ATOM 0 HE2 HIS A 23 0.363 13.291 -20.520 1.00 0.00 H new ATOM 307 N TYR A 24 1.527 10.029 -16.884 1.00 0.00 N ATOM 308 CA TYR A 24 1.571 8.822 -17.701 1.00 0.00 C ATOM 309 C TYR A 24 0.205 8.529 -18.313 1.00 0.00 C ATOM 310 O TYR A 24 -0.825 8.646 -17.648 1.00 0.00 O ATOM 311 CB TYR A 24 2.034 7.630 -16.863 1.00 0.00 C ATOM 312 CG TYR A 24 2.847 6.621 -17.642 1.00 0.00 C ATOM 313 CD1 TYR A 24 4.100 6.949 -18.145 1.00 0.00 C ATOM 314 CD2 TYR A 24 2.361 5.340 -17.877 1.00 0.00 C ATOM 315 CE1 TYR A 24 4.846 6.030 -18.859 1.00 0.00 C ATOM 316 CE2 TYR A 24 3.101 4.415 -18.588 1.00 0.00 C ATOM 317 CZ TYR A 24 4.342 4.765 -19.077 1.00 0.00 C ATOM 318 OH TYR A 24 5.081 3.846 -19.787 1.00 0.00 O ATOM 0 H TYR A 24 0.617 10.223 -16.467 1.00 0.00 H new ATOM 0 HA TYR A 24 2.283 8.987 -18.510 1.00 0.00 H new ATOM 0 HB2 TYR A 24 2.629 7.995 -16.026 1.00 0.00 H new ATOM 0 HB3 TYR A 24 1.161 7.132 -16.441 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.498 7.939 -17.975 1.00 0.00 H new ATOM 0 HD2 TYR A 24 1.389 5.063 -17.497 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.818 6.301 -19.244 1.00 0.00 H new ATOM 0 HE2 TYR A 24 2.710 3.423 -18.760 1.00 0.00 H new ATOM 0 HH TYR A 24 4.583 3.004 -19.850 1.00 0.00 H new ATOM 328 N LYS A 25 0.203 8.145 -19.585 1.00 0.00 N ATOM 329 CA LYS A 25 -1.034 7.831 -20.289 1.00 0.00 C ATOM 330 C LYS A 25 -2.015 8.997 -20.211 1.00 0.00 C ATOM 331 O LYS A 25 -3.208 8.802 -19.985 1.00 0.00 O ATOM 332 CB LYS A 25 -1.675 6.572 -19.700 1.00 0.00 C ATOM 333 CG LYS A 25 -0.817 5.327 -19.848 1.00 0.00 C ATOM 334 CD LYS A 25 -1.668 4.075 -19.970 1.00 0.00 C ATOM 335 CE LYS A 25 -2.389 3.761 -18.667 1.00 0.00 C ATOM 336 NZ LYS A 25 -2.952 2.383 -18.663 1.00 0.00 N ATOM 0 H LYS A 25 1.046 8.044 -20.150 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.791 7.652 -21.336 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.879 6.739 -18.642 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.635 6.401 -20.187 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.182 5.424 -20.729 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.155 5.236 -18.987 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.398 4.207 -20.768 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.038 3.231 -20.251 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.696 3.873 -17.833 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.192 4.482 -18.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.917 2.404 -18.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.976 2.015 -19.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.357 1.766 -18.074 1.00 0.00 H new ATOM 350 N ASN A 26 -1.503 10.209 -20.400 1.00 0.00 N ATOM 351 CA ASN A 26 -2.334 11.406 -20.352 1.00 0.00 C ATOM 352 C ASN A 26 -3.019 11.538 -18.995 1.00 0.00 C ATOM 353 O ASN A 26 -4.089 12.138 -18.884 1.00 0.00 O ATOM 354 CB ASN A 26 -3.384 11.368 -21.464 1.00 0.00 C ATOM 355 CG ASN A 26 -2.762 11.390 -22.847 1.00 0.00 C ATOM 356 OD1 ASN A 26 -1.743 12.043 -23.071 1.00 0.00 O ATOM 357 ND2 ASN A 26 -3.375 10.674 -23.783 1.00 0.00 N ATOM 0 H ASN A 26 -0.517 10.388 -20.588 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.689 12.272 -20.500 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.991 10.469 -21.356 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.054 12.221 -21.356 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.003 10.650 -24.732 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.218 10.148 -23.552 1.00 0.00 H new ATOM 364 N ARG A 27 -2.395 10.975 -17.966 1.00 0.00 N ATOM 365 CA ARG A 27 -2.944 11.030 -16.616 1.00 0.00 C ATOM 366 C ARG A 27 -1.902 11.540 -15.625 1.00 0.00 C ATOM 367 O ARG A 27 -0.754 11.792 -15.991 1.00 0.00 O ATOM 368 CB ARG A 27 -3.438 9.647 -16.187 1.00 0.00 C ATOM 369 CG ARG A 27 -4.670 9.178 -16.943 1.00 0.00 C ATOM 370 CD ARG A 27 -5.500 8.213 -16.111 1.00 0.00 C ATOM 371 NE ARG A 27 -6.437 7.449 -16.931 1.00 0.00 N ATOM 372 CZ ARG A 27 -7.435 6.730 -16.430 1.00 0.00 C ATOM 373 NH1 ARG A 27 -7.625 6.677 -15.119 1.00 0.00 N ATOM 374 NH2 ARG A 27 -8.245 6.062 -17.241 1.00 0.00 N ATOM 0 H ARG A 27 -1.509 10.475 -18.041 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.785 11.724 -16.621 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.636 8.923 -16.332 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.662 9.665 -15.120 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.279 10.039 -17.219 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.366 8.692 -17.870 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.837 7.527 -15.583 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.052 8.770 -15.353 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.318 7.469 -17.944 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.004 7.189 -14.493 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.392 6.124 -14.737 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -8.102 6.100 -18.250 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -9.011 5.510 -16.855 1.00 0.00 H new ATOM 388 N PHE A 28 -2.311 11.690 -14.370 1.00 0.00 N ATOM 389 CA PHE A 28 -1.413 12.171 -13.326 1.00 0.00 C ATOM 390 C PHE A 28 -1.793 11.585 -11.969 1.00 0.00 C ATOM 391 O PHE A 28 -2.956 11.625 -11.568 1.00 0.00 O ATOM 392 CB PHE A 28 -1.446 13.700 -13.261 1.00 0.00 C ATOM 393 CG PHE A 28 -1.295 14.360 -14.602 1.00 0.00 C ATOM 394 CD1 PHE A 28 -2.372 14.450 -15.469 1.00 0.00 C ATOM 395 CD2 PHE A 28 -0.077 14.890 -14.995 1.00 0.00 C ATOM 396 CE1 PHE A 28 -2.236 15.057 -16.704 1.00 0.00 C ATOM 397 CE2 PHE A 28 0.065 15.498 -16.228 1.00 0.00 C ATOM 398 CZ PHE A 28 -1.016 15.582 -17.083 1.00 0.00 C ATOM 0 H PHE A 28 -3.258 11.486 -14.051 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.402 11.846 -13.572 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.388 14.016 -12.813 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.648 14.045 -12.603 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.328 14.042 -15.177 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.772 14.827 -14.330 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.083 15.120 -17.371 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.020 15.907 -16.522 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.908 16.057 -18.047 1.00 0.00 H new ATOM 408 N TRP A 29 -0.804 11.042 -11.269 1.00 0.00 N ATOM 409 CA TRP A 29 -1.034 10.447 -9.957 1.00 0.00 C ATOM 410 C TRP A 29 -0.123 11.074 -8.908 1.00 0.00 C ATOM 411 O TRP A 29 1.047 11.353 -9.174 1.00 0.00 O ATOM 412 CB TRP A 29 -0.805 8.936 -10.013 1.00 0.00 C ATOM 413 CG TRP A 29 -1.787 8.218 -10.888 1.00 0.00 C ATOM 414 CD1 TRP A 29 -2.980 7.674 -10.506 1.00 0.00 C ATOM 415 CD2 TRP A 29 -1.659 7.965 -12.291 1.00 0.00 C ATOM 416 NE1 TRP A 29 -3.601 7.098 -11.588 1.00 0.00 N ATOM 417 CE2 TRP A 29 -2.812 7.264 -12.695 1.00 0.00 C ATOM 418 CE3 TRP A 29 -0.684 8.265 -13.247 1.00 0.00 C ATOM 419 CZ2 TRP A 29 -3.013 6.858 -14.011 1.00 0.00 C ATOM 420 CZ3 TRP A 29 -0.885 7.861 -14.553 1.00 0.00 C ATOM 421 CH2 TRP A 29 -2.042 7.164 -14.926 1.00 0.00 C ATOM 0 H TRP A 29 0.164 11.001 -11.587 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.069 10.640 -9.674 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.204 8.742 -10.377 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.864 8.529 -9.003 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.377 7.694 -9.502 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.504 6.623 -11.570 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.210 8.803 -12.970 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -3.904 6.320 -14.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.137 8.086 -15.299 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -2.170 6.862 -15.955 1.00 0.00 H new ATOM 432 N HIS A 30 -0.665 11.293 -7.714 1.00 0.00 N ATOM 433 CA HIS A 30 0.101 11.887 -6.624 1.00 0.00 C ATOM 434 C HIS A 30 1.227 10.957 -6.182 1.00 0.00 C ATOM 435 O HIS A 30 1.115 9.736 -6.291 1.00 0.00 O ATOM 436 CB HIS A 30 -0.814 12.198 -5.439 1.00 0.00 C ATOM 437 CG HIS A 30 -1.666 13.412 -5.643 1.00 0.00 C ATOM 438 ND1 HIS A 30 -3.001 13.347 -5.981 1.00 0.00 N ATOM 439 CD2 HIS A 30 -1.366 14.729 -5.553 1.00 0.00 C ATOM 440 CE1 HIS A 30 -3.485 14.571 -6.092 1.00 0.00 C ATOM 441 NE2 HIS A 30 -2.513 15.429 -5.837 1.00 0.00 N ATOM 0 H HIS A 30 -1.631 11.068 -7.477 1.00 0.00 H new ATOM 0 HA HIS A 30 0.541 12.816 -6.986 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -1.459 11.339 -5.253 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -0.204 12.338 -4.547 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -3.532 12.488 -6.123 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -0.403 15.151 -5.304 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -4.503 14.827 -6.348 1.00 0.00 H new ATOM 449 N ASP A 31 2.311 11.543 -5.684 1.00 0.00 N ATOM 450 CA ASP A 31 3.457 10.767 -5.225 1.00 0.00 C ATOM 451 C ASP A 31 3.016 9.652 -4.281 1.00 0.00 C ATOM 452 O ASP A 31 3.740 8.678 -4.072 1.00 0.00 O ATOM 453 CB ASP A 31 4.468 11.676 -4.524 1.00 0.00 C ATOM 454 CG ASP A 31 3.801 12.692 -3.619 1.00 0.00 C ATOM 455 OD1 ASP A 31 2.848 12.316 -2.904 1.00 0.00 O ATOM 456 OD2 ASP A 31 4.233 13.864 -3.624 1.00 0.00 O ATOM 0 H ASP A 31 2.420 12.553 -5.588 1.00 0.00 H new ATOM 0 HA ASP A 31 3.930 10.314 -6.096 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.155 11.066 -3.937 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.065 12.197 -5.273 1.00 0.00 H new ATOM 461 N THR A 32 1.824 9.802 -3.713 1.00 0.00 N ATOM 462 CA THR A 32 1.287 8.810 -2.789 1.00 0.00 C ATOM 463 C THR A 32 0.242 7.934 -3.471 1.00 0.00 C ATOM 464 O THR A 32 -0.068 6.839 -2.999 1.00 0.00 O ATOM 465 CB THR A 32 0.654 9.477 -1.554 1.00 0.00 C ATOM 466 OG1 THR A 32 -0.254 10.506 -1.963 1.00 0.00 O ATOM 467 CG2 THR A 32 1.725 10.070 -0.651 1.00 0.00 C ATOM 0 H THR A 32 1.212 10.601 -3.876 1.00 0.00 H new ATOM 0 HA THR A 32 2.124 8.190 -2.468 1.00 0.00 H new ATOM 0 HB THR A 32 0.111 8.714 -0.996 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.653 10.924 -1.171 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.254 10.536 0.215 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.398 9.280 -0.317 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.292 10.820 -1.203 1.00 0.00 H new ATOM 475 N CYS A 33 -0.297 8.421 -4.583 1.00 0.00 N ATOM 476 CA CYS A 33 -1.308 7.682 -5.330 1.00 0.00 C ATOM 477 C CYS A 33 -0.657 6.732 -6.332 1.00 0.00 C ATOM 478 O CYS A 33 -1.015 5.557 -6.412 1.00 0.00 O ATOM 479 CB CYS A 33 -2.242 8.649 -6.060 1.00 0.00 C ATOM 480 SG CYS A 33 -3.408 9.523 -4.968 1.00 0.00 S ATOM 0 H CYS A 33 -0.051 9.325 -4.987 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.889 7.092 -4.621 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.641 9.384 -6.594 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.808 8.095 -6.809 1.00 0.00 H new ATOM 0 HG CYS A 33 -2.749 10.132 -4.028 1.00 0.00 H new ATOM 485 N PHE A 34 0.300 7.250 -7.094 1.00 0.00 N ATOM 486 CA PHE A 34 1.001 6.449 -8.091 1.00 0.00 C ATOM 487 C PHE A 34 1.625 5.211 -7.454 1.00 0.00 C ATOM 488 O PHE A 34 2.702 5.281 -6.862 1.00 0.00 O ATOM 489 CB PHE A 34 2.084 7.285 -8.778 1.00 0.00 C ATOM 490 CG PHE A 34 2.714 6.598 -9.956 1.00 0.00 C ATOM 491 CD1 PHE A 34 1.949 6.235 -11.053 1.00 0.00 C ATOM 492 CD2 PHE A 34 4.070 6.315 -9.965 1.00 0.00 C ATOM 493 CE1 PHE A 34 2.526 5.604 -12.139 1.00 0.00 C ATOM 494 CE2 PHE A 34 4.652 5.684 -11.048 1.00 0.00 C ATOM 495 CZ PHE A 34 3.879 5.326 -12.136 1.00 0.00 C ATOM 0 H PHE A 34 0.608 8.221 -7.040 1.00 0.00 H new ATOM 0 HA PHE A 34 0.275 6.125 -8.836 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.649 8.229 -9.108 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.860 7.528 -8.052 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.890 6.448 -11.059 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.679 6.590 -9.117 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.920 5.329 -12.989 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.711 5.471 -11.044 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.332 4.830 -12.982 1.00 0.00 H new ATOM 505 N ARG A 35 0.940 4.080 -7.580 1.00 0.00 N ATOM 506 CA ARG A 35 1.425 2.826 -7.015 1.00 0.00 C ATOM 507 C ARG A 35 0.763 1.631 -7.695 1.00 0.00 C ATOM 508 O ARG A 35 -0.230 1.780 -8.408 1.00 0.00 O ATOM 509 CB ARG A 35 1.157 2.783 -5.510 1.00 0.00 C ATOM 510 CG ARG A 35 -0.313 2.626 -5.157 1.00 0.00 C ATOM 511 CD ARG A 35 -0.500 2.288 -3.686 1.00 0.00 C ATOM 512 NE ARG A 35 -1.902 2.362 -3.282 1.00 0.00 N ATOM 513 CZ ARG A 35 -2.507 3.491 -2.931 1.00 0.00 C ATOM 514 NH1 ARG A 35 -1.837 4.635 -2.936 1.00 0.00 N ATOM 515 NH2 ARG A 35 -3.785 3.477 -2.575 1.00 0.00 N ATOM 0 H ARG A 35 0.047 4.006 -8.068 1.00 0.00 H new ATOM 0 HA ARG A 35 2.500 2.770 -7.187 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.717 1.956 -5.073 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.535 3.699 -5.056 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.845 3.549 -5.390 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.754 1.840 -5.771 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.119 1.285 -3.493 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.089 2.975 -3.078 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.446 1.499 -3.269 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.855 4.649 -3.210 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.304 5.501 -2.666 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.304 2.599 -2.571 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.249 4.345 -2.306 1.00 0.00 H new ATOM 529 N CYS A 36 1.319 0.446 -7.470 1.00 0.00 N ATOM 530 CA CYS A 36 0.785 -0.775 -8.060 1.00 0.00 C ATOM 531 C CYS A 36 -0.664 -0.996 -7.636 1.00 0.00 C ATOM 532 O CYS A 36 -1.190 -0.276 -6.787 1.00 0.00 O ATOM 533 CB CYS A 36 1.636 -1.979 -7.653 1.00 0.00 C ATOM 534 SG CYS A 36 1.515 -3.396 -8.791 1.00 0.00 S ATOM 0 H CYS A 36 2.141 0.305 -6.882 1.00 0.00 H new ATOM 0 HA CYS A 36 0.816 -0.667 -9.144 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.679 -1.668 -7.588 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.336 -2.301 -6.656 1.00 0.00 H new ATOM 0 HG CYS A 36 2.643 -4.042 -8.801 1.00 0.00 H new ATOM 539 N ALA A 37 -1.304 -1.996 -8.233 1.00 0.00 N ATOM 540 CA ALA A 37 -2.691 -2.313 -7.915 1.00 0.00 C ATOM 541 C ALA A 37 -2.801 -3.675 -7.237 1.00 0.00 C ATOM 542 O ALA A 37 -3.795 -3.971 -6.573 1.00 0.00 O ATOM 543 CB ALA A 37 -3.542 -2.279 -9.176 1.00 0.00 C ATOM 0 H ALA A 37 -0.884 -2.600 -8.939 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.060 -1.559 -7.220 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.575 -2.518 -8.924 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.497 -1.284 -9.619 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.164 -3.011 -9.890 1.00 0.00 H new ATOM 549 N LYS A 38 -1.775 -4.501 -7.409 1.00 0.00 N ATOM 550 CA LYS A 38 -1.756 -5.832 -6.814 1.00 0.00 C ATOM 551 C LYS A 38 -1.074 -5.808 -5.450 1.00 0.00 C ATOM 552 O LYS A 38 -1.636 -6.267 -4.455 1.00 0.00 O ATOM 553 CB LYS A 38 -1.036 -6.816 -7.738 1.00 0.00 C ATOM 554 CG LYS A 38 -1.607 -8.223 -7.692 1.00 0.00 C ATOM 555 CD LYS A 38 -1.203 -9.029 -8.915 1.00 0.00 C ATOM 556 CE LYS A 38 -2.209 -8.869 -10.045 1.00 0.00 C ATOM 557 NZ LYS A 38 -2.029 -9.905 -11.099 1.00 0.00 N ATOM 0 H LYS A 38 -0.945 -4.272 -7.956 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.788 -6.157 -6.680 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.088 -6.445 -8.762 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.019 -6.852 -7.466 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.259 -8.728 -6.791 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.694 -8.174 -7.631 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.218 -8.708 -9.255 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.120 -10.082 -8.647 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.220 -8.932 -9.643 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.103 -7.879 -10.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.733 -9.761 -11.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.073 -9.829 -11.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.155 -10.850 -10.682 1.00 0.00 H new ATOM 571 N CYS A 39 0.140 -5.268 -5.410 1.00 0.00 N ATOM 572 CA CYS A 39 0.899 -5.183 -4.168 1.00 0.00 C ATOM 573 C CYS A 39 0.784 -3.790 -3.555 1.00 0.00 C ATOM 574 O CYS A 39 1.057 -3.596 -2.370 1.00 0.00 O ATOM 575 CB CYS A 39 2.369 -5.522 -4.419 1.00 0.00 C ATOM 576 SG CYS A 39 3.215 -4.369 -5.547 1.00 0.00 S ATOM 0 H CYS A 39 0.619 -4.883 -6.224 1.00 0.00 H new ATOM 0 HA CYS A 39 0.482 -5.906 -3.467 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.896 -5.533 -3.465 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.433 -6.529 -4.831 1.00 0.00 H new ATOM 0 HG CYS A 39 2.546 -4.280 -6.658 1.00 0.00 H new ATOM 581 N LEU A 40 0.378 -2.823 -4.371 1.00 0.00 N ATOM 582 CA LEU A 40 0.227 -1.447 -3.910 1.00 0.00 C ATOM 583 C LEU A 40 1.583 -0.832 -3.578 1.00 0.00 C ATOM 584 O LEU A 40 1.782 -0.295 -2.487 1.00 0.00 O ATOM 585 CB LEU A 40 -0.684 -1.397 -2.682 1.00 0.00 C ATOM 586 CG LEU A 40 -2.012 -2.145 -2.800 1.00 0.00 C ATOM 587 CD1 LEU A 40 -2.604 -2.402 -1.423 1.00 0.00 C ATOM 588 CD2 LEU A 40 -2.989 -1.362 -3.665 1.00 0.00 C ATOM 0 H LEU A 40 0.148 -2.966 -5.354 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.226 -0.868 -4.714 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.136 -1.802 -1.831 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.897 -0.352 -2.455 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.825 -3.107 -3.277 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.549 -2.935 -1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.911 -3.004 -0.835 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.777 -1.452 -0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.929 -1.909 -3.738 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.171 -0.386 -3.216 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.567 -1.230 -4.661 1.00 0.00 H new ATOM 600 N HIS A 41 2.512 -0.912 -4.525 1.00 0.00 N ATOM 601 CA HIS A 41 3.848 -0.360 -4.334 1.00 0.00 C ATOM 602 C HIS A 41 4.087 0.822 -5.269 1.00 0.00 C ATOM 603 O HIS A 41 3.819 0.759 -6.469 1.00 0.00 O ATOM 604 CB HIS A 41 4.906 -1.437 -4.573 1.00 0.00 C ATOM 605 CG HIS A 41 6.299 -0.992 -4.248 1.00 0.00 C ATOM 606 ND1 HIS A 41 7.046 -1.544 -3.229 1.00 0.00 N ATOM 607 CD2 HIS A 41 7.080 -0.042 -4.813 1.00 0.00 C ATOM 608 CE1 HIS A 41 8.227 -0.952 -3.181 1.00 0.00 C ATOM 609 NE2 HIS A 41 8.272 -0.037 -4.133 1.00 0.00 N ATOM 0 H HIS A 41 2.364 -1.354 -5.432 1.00 0.00 H new ATOM 0 HA HIS A 41 3.925 -0.007 -3.305 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.664 -2.313 -3.971 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.867 -1.747 -5.617 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.814 0.594 -5.645 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.020 -1.178 -2.483 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.064 0.574 -4.331 1.00 0.00 H new ATOM 618 N PRO A 42 4.603 1.926 -4.709 1.00 0.00 N ATOM 619 CA PRO A 42 4.889 3.143 -5.475 1.00 0.00 C ATOM 620 C PRO A 42 6.062 2.962 -6.433 1.00 0.00 C ATOM 621 O PRO A 42 7.193 2.725 -6.008 1.00 0.00 O ATOM 622 CB PRO A 42 5.235 4.169 -4.393 1.00 0.00 C ATOM 623 CG PRO A 42 5.724 3.358 -3.243 1.00 0.00 C ATOM 624 CD PRO A 42 4.947 2.071 -3.284 1.00 0.00 C ATOM 0 HA PRO A 42 4.050 3.435 -6.106 1.00 0.00 H new ATOM 0 HB2 PRO A 42 5.998 4.866 -4.738 1.00 0.00 H new ATOM 0 HB3 PRO A 42 4.363 4.762 -4.117 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.795 3.170 -3.325 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.563 3.881 -2.300 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.542 1.231 -2.927 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.056 2.119 -2.658 1.00 0.00 H new ATOM 632 N LEU A 43 5.785 3.076 -7.727 1.00 0.00 N ATOM 633 CA LEU A 43 6.818 2.926 -8.746 1.00 0.00 C ATOM 634 C LEU A 43 7.383 4.284 -9.153 1.00 0.00 C ATOM 635 O LEU A 43 7.863 4.457 -10.272 1.00 0.00 O ATOM 636 CB LEU A 43 6.251 2.209 -9.973 1.00 0.00 C ATOM 637 CG LEU A 43 5.628 0.836 -9.719 1.00 0.00 C ATOM 638 CD1 LEU A 43 6.368 0.112 -8.605 1.00 0.00 C ATOM 639 CD2 LEU A 43 4.152 0.975 -9.379 1.00 0.00 C ATOM 0 H LEU A 43 4.854 3.272 -8.095 1.00 0.00 H new ATOM 0 HA LEU A 43 7.626 2.328 -8.324 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.496 2.850 -10.427 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.052 2.093 -10.704 1.00 0.00 H new ATOM 0 HG LEU A 43 5.716 0.244 -10.630 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.911 -0.863 -8.438 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.412 -0.021 -8.888 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.312 0.700 -7.689 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.725 -0.012 -9.201 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.041 1.585 -8.483 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.631 1.452 -10.209 1.00 0.00 H new ATOM 651 N ALA A 44 7.323 5.243 -8.234 1.00 0.00 N ATOM 652 CA ALA A 44 7.833 6.583 -8.496 1.00 0.00 C ATOM 653 C ALA A 44 9.217 6.530 -9.132 1.00 0.00 C ATOM 654 O ALA A 44 9.418 7.014 -10.245 1.00 0.00 O ATOM 655 CB ALA A 44 7.872 7.393 -7.208 1.00 0.00 C ATOM 0 H ALA A 44 6.927 5.117 -7.303 1.00 0.00 H new ATOM 0 HA ALA A 44 7.158 7.071 -9.200 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.255 8.392 -7.418 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.866 7.469 -6.796 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.523 6.899 -6.487 1.00 0.00 H new ATOM 661 N ASN A 45 10.169 5.938 -8.418 1.00 0.00 N ATOM 662 CA ASN A 45 11.536 5.823 -8.914 1.00 0.00 C ATOM 663 C ASN A 45 11.741 4.498 -9.641 1.00 0.00 C ATOM 664 O ASN A 45 12.733 4.313 -10.346 1.00 0.00 O ATOM 665 CB ASN A 45 12.532 5.943 -7.758 1.00 0.00 C ATOM 666 CG ASN A 45 12.366 7.237 -6.984 1.00 0.00 C ATOM 667 OD1 ASN A 45 13.052 8.224 -7.249 1.00 0.00 O ATOM 668 ND2 ASN A 45 11.451 7.237 -6.021 1.00 0.00 N ATOM 0 H ASN A 45 10.019 5.531 -7.495 1.00 0.00 H new ATOM 0 HA ASN A 45 11.709 6.635 -9.620 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.402 5.099 -7.081 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.548 5.885 -8.149 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.294 8.079 -5.466 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.905 6.395 -5.836 1.00 0.00 H new ATOM 675 N GLU A 46 10.797 3.579 -9.463 1.00 0.00 N ATOM 676 CA GLU A 46 10.875 2.271 -10.102 1.00 0.00 C ATOM 677 C GLU A 46 10.115 2.266 -11.426 1.00 0.00 C ATOM 678 O GLU A 46 9.500 3.262 -11.806 1.00 0.00 O ATOM 679 CB GLU A 46 10.313 1.191 -9.175 1.00 0.00 C ATOM 680 CG GLU A 46 11.177 0.928 -7.953 1.00 0.00 C ATOM 681 CD GLU A 46 10.367 0.484 -6.750 1.00 0.00 C ATOM 682 OE1 GLU A 46 9.231 0.976 -6.587 1.00 0.00 O ATOM 683 OE2 GLU A 46 10.870 -0.353 -5.973 1.00 0.00 O ATOM 0 H GLU A 46 9.970 3.716 -8.882 1.00 0.00 H new ATOM 0 HA GLU A 46 11.924 2.056 -10.304 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.316 1.487 -8.848 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.201 0.264 -9.737 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.915 0.162 -8.192 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.728 1.834 -7.701 1.00 0.00 H new ATOM 690 N THR A 47 10.163 1.136 -12.125 1.00 0.00 N ATOM 691 CA THR A 47 9.482 1.000 -13.406 1.00 0.00 C ATOM 692 C THR A 47 8.192 0.201 -13.261 1.00 0.00 C ATOM 693 O THR A 47 8.054 -0.615 -12.348 1.00 0.00 O ATOM 694 CB THR A 47 10.382 0.315 -14.451 1.00 0.00 C ATOM 695 OG1 THR A 47 11.621 1.022 -14.569 1.00 0.00 O ATOM 696 CG2 THR A 47 9.693 0.260 -15.806 1.00 0.00 C ATOM 0 H THR A 47 10.667 0.302 -11.825 1.00 0.00 H new ATOM 0 HA THR A 47 9.245 2.008 -13.746 1.00 0.00 H new ATOM 0 HB THR A 47 10.576 -0.705 -14.118 1.00 0.00 H new ATOM 0 HG1 THR A 47 12.188 0.579 -15.234 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.348 -0.228 -16.528 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.764 -0.304 -15.719 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.472 1.273 -16.143 1.00 0.00 H new ATOM 704 N PHE A 48 7.249 0.439 -14.166 1.00 0.00 N ATOM 705 CA PHE A 48 5.969 -0.260 -14.138 1.00 0.00 C ATOM 706 C PHE A 48 5.552 -0.686 -15.543 1.00 0.00 C ATOM 707 O PHE A 48 6.247 -0.410 -16.520 1.00 0.00 O ATOM 708 CB PHE A 48 4.890 0.633 -13.523 1.00 0.00 C ATOM 709 CG PHE A 48 4.685 1.924 -14.264 1.00 0.00 C ATOM 710 CD1 PHE A 48 5.659 2.909 -14.250 1.00 0.00 C ATOM 711 CD2 PHE A 48 3.517 2.152 -14.974 1.00 0.00 C ATOM 712 CE1 PHE A 48 5.474 4.097 -14.931 1.00 0.00 C ATOM 713 CE2 PHE A 48 3.327 3.338 -15.658 1.00 0.00 C ATOM 714 CZ PHE A 48 4.306 4.312 -15.635 1.00 0.00 C ATOM 0 H PHE A 48 7.347 1.110 -14.928 1.00 0.00 H new ATOM 0 HA PHE A 48 6.084 -1.154 -13.525 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.948 0.085 -13.497 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.159 0.855 -12.490 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.574 2.746 -13.700 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.747 1.395 -14.993 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.242 4.856 -14.913 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.414 3.503 -16.210 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.158 5.240 -16.167 1.00 0.00 H new ATOM 724 N VAL A 49 4.411 -1.363 -15.635 1.00 0.00 N ATOM 725 CA VAL A 49 3.900 -1.828 -16.919 1.00 0.00 C ATOM 726 C VAL A 49 2.393 -1.620 -17.018 1.00 0.00 C ATOM 727 O VAL A 49 1.632 -2.107 -16.183 1.00 0.00 O ATOM 728 CB VAL A 49 4.217 -3.319 -17.142 1.00 0.00 C ATOM 729 CG1 VAL A 49 3.615 -3.802 -18.453 1.00 0.00 C ATOM 730 CG2 VAL A 49 5.720 -3.553 -17.117 1.00 0.00 C ATOM 0 H VAL A 49 3.824 -1.601 -14.836 1.00 0.00 H new ATOM 0 HA VAL A 49 4.397 -1.239 -17.690 1.00 0.00 H new ATOM 0 HB VAL A 49 3.770 -3.894 -16.331 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.849 -4.857 -18.594 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.533 -3.671 -18.427 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.031 -3.225 -19.279 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.926 -4.611 -17.276 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.192 -2.969 -17.907 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.120 -3.247 -16.150 1.00 0.00 H new ATOM 740 N ALA A 50 1.968 -0.892 -18.046 1.00 0.00 N ATOM 741 CA ALA A 50 0.551 -0.622 -18.257 1.00 0.00 C ATOM 742 C ALA A 50 -0.121 -1.766 -19.008 1.00 0.00 C ATOM 743 O ALA A 50 0.114 -1.961 -20.201 1.00 0.00 O ATOM 744 CB ALA A 50 0.371 0.687 -19.012 1.00 0.00 C ATOM 0 H ALA A 50 2.585 -0.479 -18.745 1.00 0.00 H new ATOM 0 HA ALA A 50 0.074 -0.535 -17.281 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.692 0.877 -19.163 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.807 1.503 -18.435 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.869 0.620 -19.979 1.00 0.00 H new ATOM 750 N LYS A 51 -0.956 -2.520 -18.303 1.00 0.00 N ATOM 751 CA LYS A 51 -1.663 -3.646 -18.903 1.00 0.00 C ATOM 752 C LYS A 51 -3.101 -3.717 -18.397 1.00 0.00 C ATOM 753 O LYS A 51 -3.386 -3.349 -17.257 1.00 0.00 O ATOM 754 CB LYS A 51 -0.936 -4.956 -18.593 1.00 0.00 C ATOM 755 CG LYS A 51 -1.076 -6.002 -19.684 1.00 0.00 C ATOM 756 CD LYS A 51 -0.308 -7.269 -19.344 1.00 0.00 C ATOM 757 CE LYS A 51 -0.927 -7.995 -18.161 1.00 0.00 C ATOM 758 NZ LYS A 51 -0.704 -9.466 -18.234 1.00 0.00 N ATOM 0 H LYS A 51 -1.160 -2.372 -17.315 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.683 -3.497 -19.983 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.122 -4.746 -18.436 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.322 -5.364 -17.659 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.130 -6.241 -19.827 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.711 -5.596 -20.627 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.293 -7.930 -20.211 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.728 -7.018 -19.117 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.501 -7.609 -17.235 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.997 -7.791 -18.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.141 -9.925 -17.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.132 -9.839 -19.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.317 -9.663 -18.238 1.00 0.00 H new ATOM 772 N ASP A 52 -4.000 -4.195 -19.250 1.00 0.00 N ATOM 773 CA ASP A 52 -5.407 -4.318 -18.888 1.00 0.00 C ATOM 774 C ASP A 52 -5.916 -3.033 -18.241 1.00 0.00 C ATOM 775 O ASP A 52 -6.663 -3.071 -17.264 1.00 0.00 O ATOM 776 CB ASP A 52 -5.610 -5.497 -17.935 1.00 0.00 C ATOM 777 CG ASP A 52 -5.778 -6.812 -18.670 1.00 0.00 C ATOM 778 OD1 ASP A 52 -6.729 -6.928 -19.471 1.00 0.00 O ATOM 779 OD2 ASP A 52 -4.957 -7.726 -18.444 1.00 0.00 O ATOM 0 H ASP A 52 -3.780 -4.504 -20.197 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.977 -4.496 -19.800 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.756 -5.567 -17.261 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.489 -5.314 -17.317 1.00 0.00 H new ATOM 784 N ASN A 53 -5.505 -1.896 -18.794 1.00 0.00 N ATOM 785 CA ASN A 53 -5.918 -0.599 -18.270 1.00 0.00 C ATOM 786 C ASN A 53 -5.656 -0.509 -16.770 1.00 0.00 C ATOM 787 O ASN A 53 -6.453 0.057 -16.022 1.00 0.00 O ATOM 788 CB ASN A 53 -7.403 -0.359 -18.555 1.00 0.00 C ATOM 789 CG ASN A 53 -7.633 0.315 -19.894 1.00 0.00 C ATOM 790 OD1 ASN A 53 -7.726 -0.348 -20.927 1.00 0.00 O ATOM 791 ND2 ASN A 53 -7.726 1.639 -19.880 1.00 0.00 N ATOM 0 H ASN A 53 -4.887 -1.847 -19.604 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.330 0.170 -18.770 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.933 -1.311 -18.535 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.827 0.258 -17.763 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -7.881 2.149 -20.750 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.643 2.147 -18.999 1.00 0.00 H new ATOM 798 N LYS A 54 -4.533 -1.072 -16.337 1.00 0.00 N ATOM 799 CA LYS A 54 -4.163 -1.055 -14.926 1.00 0.00 C ATOM 800 C LYS A 54 -2.648 -0.988 -14.762 1.00 0.00 C ATOM 801 O LYS A 54 -1.902 -1.526 -15.581 1.00 0.00 O ATOM 802 CB LYS A 54 -4.709 -2.298 -14.220 1.00 0.00 C ATOM 803 CG LYS A 54 -6.197 -2.225 -13.923 1.00 0.00 C ATOM 804 CD LYS A 54 -6.750 -3.578 -13.510 1.00 0.00 C ATOM 805 CE LYS A 54 -8.239 -3.684 -13.802 1.00 0.00 C ATOM 806 NZ LYS A 54 -8.761 -5.052 -13.531 1.00 0.00 N ATOM 0 H LYS A 54 -3.863 -1.546 -16.943 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.600 -0.165 -14.472 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.513 -3.173 -14.840 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.167 -2.442 -13.285 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.375 -1.500 -13.129 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.728 -1.868 -14.805 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.217 -4.367 -14.040 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.575 -3.734 -12.446 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.781 -2.961 -13.192 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.424 -3.424 -14.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.731 -5.133 -13.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.154 -5.754 -13.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.764 -5.226 -12.506 1.00 0.00 H new ATOM 820 N ILE A 55 -2.201 -0.327 -13.700 1.00 0.00 N ATOM 821 CA ILE A 55 -0.775 -0.193 -13.428 1.00 0.00 C ATOM 822 C ILE A 55 -0.259 -1.370 -12.608 1.00 0.00 C ATOM 823 O ILE A 55 -0.810 -1.697 -11.555 1.00 0.00 O ATOM 824 CB ILE A 55 -0.466 1.116 -12.678 1.00 0.00 C ATOM 825 CG1 ILE A 55 -1.043 2.313 -13.437 1.00 0.00 C ATOM 826 CG2 ILE A 55 1.035 1.275 -12.489 1.00 0.00 C ATOM 827 CD1 ILE A 55 -0.464 2.485 -14.823 1.00 0.00 C ATOM 0 H ILE A 55 -2.806 0.124 -13.014 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.269 -0.177 -14.394 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.934 1.074 -11.695 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.124 2.196 -13.515 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.861 3.220 -12.861 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.238 2.205 -11.957 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.420 0.435 -11.911 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.524 1.300 -13.463 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.919 3.352 -15.302 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.613 2.633 -14.751 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.669 1.594 -15.416 1.00 0.00 H new ATOM 839 N LEU A 56 0.802 -2.003 -13.095 1.00 0.00 N ATOM 840 CA LEU A 56 1.395 -3.144 -12.406 1.00 0.00 C ATOM 841 C LEU A 56 2.917 -3.044 -12.397 1.00 0.00 C ATOM 842 O LEU A 56 3.518 -2.471 -13.307 1.00 0.00 O ATOM 843 CB LEU A 56 0.963 -4.450 -13.075 1.00 0.00 C ATOM 844 CG LEU A 56 -0.508 -4.834 -12.910 1.00 0.00 C ATOM 845 CD1 LEU A 56 -0.840 -6.052 -13.759 1.00 0.00 C ATOM 846 CD2 LEU A 56 -0.829 -5.098 -11.447 1.00 0.00 C ATOM 0 H LEU A 56 1.270 -1.746 -13.964 1.00 0.00 H new ATOM 0 HA LEU A 56 1.042 -3.137 -11.375 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.182 -4.379 -14.140 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.576 -5.259 -12.677 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.122 -4.001 -13.251 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.891 -6.311 -13.629 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.649 -5.827 -14.808 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.218 -6.892 -13.449 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.880 -5.370 -11.348 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.207 -5.914 -11.080 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.630 -4.199 -10.863 1.00 0.00 H new ATOM 858 N CYS A 57 3.536 -3.607 -11.365 1.00 0.00 N ATOM 859 CA CYS A 57 4.988 -3.582 -11.237 1.00 0.00 C ATOM 860 C CYS A 57 5.611 -4.823 -11.872 1.00 0.00 C ATOM 861 O CYS A 57 4.933 -5.825 -12.095 1.00 0.00 O ATOM 862 CB CYS A 57 5.390 -3.494 -9.763 1.00 0.00 C ATOM 863 SG CYS A 57 5.158 -5.045 -8.835 1.00 0.00 S ATOM 0 H CYS A 57 3.054 -4.087 -10.605 1.00 0.00 H new ATOM 0 HA CYS A 57 5.359 -2.701 -11.761 1.00 0.00 H new ATOM 0 HB2 CYS A 57 6.437 -3.199 -9.700 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.807 -2.706 -9.285 1.00 0.00 H new ATOM 0 HG CYS A 57 3.934 -5.458 -8.978 1.00 0.00 H new ATOM 868 N ASN A 58 6.906 -4.746 -12.161 1.00 0.00 N ATOM 869 CA ASN A 58 7.620 -5.861 -12.771 1.00 0.00 C ATOM 870 C ASN A 58 7.464 -7.129 -11.936 1.00 0.00 C ATOM 871 O ASN A 58 7.225 -8.212 -12.470 1.00 0.00 O ATOM 872 CB ASN A 58 9.104 -5.520 -12.927 1.00 0.00 C ATOM 873 CG ASN A 58 9.326 -4.288 -13.783 1.00 0.00 C ATOM 874 OD1 ASN A 58 9.979 -3.334 -13.359 1.00 0.00 O ATOM 875 ND2 ASN A 58 8.783 -4.304 -14.994 1.00 0.00 N ATOM 0 H ASN A 58 7.482 -3.923 -11.983 1.00 0.00 H new ATOM 0 HA ASN A 58 7.189 -6.040 -13.756 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.543 -5.359 -11.942 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.624 -6.368 -13.373 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.899 -3.504 -15.616 1.00 0.00 H new ATOM 0 HD22 ASN A 58 8.250 -5.117 -15.303 1.00 0.00 H new ATOM 882 N LYS A 59 7.600 -6.986 -10.622 1.00 0.00 N ATOM 883 CA LYS A 59 7.472 -8.117 -9.711 1.00 0.00 C ATOM 884 C LYS A 59 6.118 -8.800 -9.878 1.00 0.00 C ATOM 885 O LYS A 59 6.002 -10.017 -9.730 1.00 0.00 O ATOM 886 CB LYS A 59 7.646 -7.655 -8.263 1.00 0.00 C ATOM 887 CG LYS A 59 7.253 -8.705 -7.238 1.00 0.00 C ATOM 888 CD LYS A 59 8.389 -9.679 -6.974 1.00 0.00 C ATOM 889 CE LYS A 59 8.320 -10.881 -7.905 1.00 0.00 C ATOM 890 NZ LYS A 59 7.185 -11.783 -7.563 1.00 0.00 N ATOM 0 H LYS A 59 7.799 -6.097 -10.164 1.00 0.00 H new ATOM 0 HA LYS A 59 8.255 -8.836 -9.953 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.687 -7.375 -8.103 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.046 -6.759 -8.102 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.968 -8.216 -6.306 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.379 -9.251 -7.592 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.344 -9.170 -7.105 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.347 -10.017 -5.938 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.214 -10.538 -8.934 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.256 -11.437 -7.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.467 -12.771 -7.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.927 -11.653 -6.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.367 -11.555 -8.164 1.00 0.00 H new ATOM 904 N CYS A 60 5.096 -8.009 -10.189 1.00 0.00 N ATOM 905 CA CYS A 60 3.750 -8.537 -10.378 1.00 0.00 C ATOM 906 C CYS A 60 3.595 -9.146 -11.768 1.00 0.00 C ATOM 907 O CYS A 60 3.399 -10.353 -11.912 1.00 0.00 O ATOM 908 CB CYS A 60 2.713 -7.431 -10.175 1.00 0.00 C ATOM 909 SG CYS A 60 2.392 -7.024 -8.428 1.00 0.00 S ATOM 0 H CYS A 60 5.175 -7.000 -10.315 1.00 0.00 H new ATOM 0 HA CYS A 60 3.586 -9.320 -9.637 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.051 -6.532 -10.690 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.777 -7.735 -10.644 1.00 0.00 H new ATOM 0 HG CYS A 60 1.982 -5.794 -8.337 1.00 0.00 H new ATOM 914 N THR A 61 3.683 -8.302 -12.792 1.00 0.00 N ATOM 915 CA THR A 61 3.551 -8.755 -14.170 1.00 0.00 C ATOM 916 C THR A 61 4.217 -10.112 -14.369 1.00 0.00 C ATOM 917 O THR A 61 3.775 -10.918 -15.188 1.00 0.00 O ATOM 918 CB THR A 61 4.168 -7.744 -15.155 1.00 0.00 C ATOM 919 OG1 THR A 61 5.514 -7.443 -14.769 1.00 0.00 O ATOM 920 CG2 THR A 61 3.349 -6.463 -15.201 1.00 0.00 C ATOM 0 H THR A 61 3.845 -7.300 -12.692 1.00 0.00 H new ATOM 0 HA THR A 61 2.484 -8.844 -14.373 1.00 0.00 H new ATOM 0 HB THR A 61 4.167 -8.192 -16.149 1.00 0.00 H new ATOM 0 HG1 THR A 61 5.753 -7.969 -13.978 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.805 -5.765 -15.903 1.00 0.00 H new ATOM 0 HG22 THR A 61 2.333 -6.692 -15.524 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.321 -6.013 -14.209 1.00 0.00 H new ATOM 1004 N PRO A 67 -4.776 -15.534 -8.508 1.00 0.00 N ATOM 1005 CA PRO A 67 -6.102 -16.124 -8.713 1.00 0.00 C ATOM 1006 C PRO A 67 -6.674 -15.800 -10.089 1.00 0.00 C ATOM 1007 O PRO A 67 -6.234 -14.859 -10.750 1.00 0.00 O ATOM 1008 CB PRO A 67 -6.951 -15.478 -7.615 1.00 0.00 C ATOM 1009 CG PRO A 67 -6.268 -14.188 -7.318 1.00 0.00 C ATOM 1010 CD PRO A 67 -4.800 -14.440 -7.523 1.00 0.00 C ATOM 0 HA PRO A 67 -6.076 -17.213 -8.666 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.975 -15.316 -7.951 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.002 -16.112 -6.730 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.624 -13.397 -7.978 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -6.470 -13.866 -6.296 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -4.288 -13.553 -7.895 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.308 -14.725 -6.593 1.00 0.00 H new ATOM 1018 N LYS A 68 -7.658 -16.585 -10.515 1.00 0.00 N ATOM 1019 CA LYS A 68 -8.292 -16.381 -11.812 1.00 0.00 C ATOM 1020 C LYS A 68 -9.809 -16.307 -11.670 1.00 0.00 C ATOM 1021 O LYS A 68 -10.375 -16.784 -10.686 1.00 0.00 O ATOM 1022 CB LYS A 68 -7.914 -17.511 -12.772 1.00 0.00 C ATOM 1023 CG LYS A 68 -8.142 -18.899 -12.197 1.00 0.00 C ATOM 1024 CD LYS A 68 -6.928 -19.390 -11.426 1.00 0.00 C ATOM 1025 CE LYS A 68 -7.325 -20.344 -10.310 1.00 0.00 C ATOM 1026 NZ LYS A 68 -7.525 -21.732 -10.812 1.00 0.00 N ATOM 0 H LYS A 68 -8.034 -17.368 -9.981 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.935 -15.434 -12.217 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.494 -17.407 -13.689 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.864 -17.408 -13.046 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.010 -18.883 -11.538 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.368 -19.596 -13.004 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.241 -19.892 -12.108 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.394 -18.538 -11.005 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.553 -20.344 -9.540 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.243 -19.992 -9.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.795 -22.352 -10.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.279 -21.737 -11.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.641 -22.078 -11.237 1.00 0.00 H new ATOM 1040 N CYS A 69 -10.463 -15.708 -12.660 1.00 0.00 N ATOM 1041 CA CYS A 69 -11.915 -15.573 -12.647 1.00 0.00 C ATOM 1042 C CYS A 69 -12.566 -16.608 -13.559 1.00 0.00 C ATOM 1043 O CYS A 69 -11.899 -17.230 -14.387 1.00 0.00 O ATOM 1044 CB CYS A 69 -12.321 -14.164 -13.084 1.00 0.00 C ATOM 1045 SG CYS A 69 -14.086 -13.788 -12.835 1.00 0.00 S ATOM 0 H CYS A 69 -10.010 -15.308 -13.482 1.00 0.00 H new ATOM 0 HA CYS A 69 -12.262 -15.744 -11.628 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -11.724 -13.438 -12.532 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -12.079 -14.039 -14.139 1.00 0.00 H new ATOM 0 HG CYS A 69 -14.268 -12.502 -12.892 1.00 0.00 H new ATOM 1050 N LYS A 70 -13.873 -16.788 -13.402 1.00 0.00 N ATOM 1051 CA LYS A 70 -14.617 -17.746 -14.212 1.00 0.00 C ATOM 1052 C LYS A 70 -15.614 -17.033 -15.119 1.00 0.00 C ATOM 1053 O LYS A 70 -16.026 -17.568 -16.147 1.00 0.00 O ATOM 1054 CB LYS A 70 -15.351 -18.743 -13.313 1.00 0.00 C ATOM 1055 CG LYS A 70 -15.860 -19.968 -14.052 1.00 0.00 C ATOM 1056 CD LYS A 70 -14.819 -21.075 -14.080 1.00 0.00 C ATOM 1057 CE LYS A 70 -15.337 -22.308 -14.804 1.00 0.00 C ATOM 1058 NZ LYS A 70 -14.530 -23.518 -14.484 1.00 0.00 N ATOM 0 H LYS A 70 -14.440 -16.283 -12.721 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.906 -18.285 -14.837 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -14.680 -19.063 -12.516 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -16.193 -18.240 -12.838 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -16.768 -20.333 -13.571 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -16.128 -19.693 -15.072 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.916 -20.715 -14.573 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -14.541 -21.340 -13.060 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -16.377 -22.481 -14.528 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.318 -22.133 -15.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -14.914 -24.337 -14.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.542 -23.362 -14.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.569 -23.701 -13.461 1.00 0.00 H new ATOM 1072 N GLY A 71 -15.998 -15.820 -14.732 1.00 0.00 N ATOM 1073 CA GLY A 71 -16.942 -15.053 -15.523 1.00 0.00 C ATOM 1074 C GLY A 71 -16.307 -14.447 -16.759 1.00 0.00 C ATOM 1075 O GLY A 71 -16.909 -14.433 -17.833 1.00 0.00 O ATOM 0 H GLY A 71 -15.672 -15.355 -13.885 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -17.768 -15.698 -15.822 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -17.364 -14.258 -14.908 1.00 0.00 H new ATOM 1079 N CYS A 72 -15.087 -13.943 -16.608 1.00 0.00 N ATOM 1080 CA CYS A 72 -14.369 -13.331 -17.719 1.00 0.00 C ATOM 1081 C CYS A 72 -13.037 -14.035 -17.961 1.00 0.00 C ATOM 1082 O CYS A 72 -12.399 -13.842 -18.996 1.00 0.00 O ATOM 1083 CB CYS A 72 -14.130 -11.845 -17.443 1.00 0.00 C ATOM 1084 SG CYS A 72 -13.240 -11.512 -15.889 1.00 0.00 S ATOM 0 H CYS A 72 -14.575 -13.946 -15.726 1.00 0.00 H new ATOM 0 HA CYS A 72 -14.982 -13.434 -18.615 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -13.565 -11.419 -18.272 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -15.091 -11.332 -17.416 1.00 0.00 H new ATOM 0 HG CYS A 72 -13.618 -12.363 -14.982 1.00 0.00 H new ATOM 1089 N PHE A 73 -12.623 -14.852 -16.998 1.00 0.00 N ATOM 1090 CA PHE A 73 -11.367 -15.585 -17.105 1.00 0.00 C ATOM 1091 C PHE A 73 -10.183 -14.626 -17.186 1.00 0.00 C ATOM 1092 O PHE A 73 -9.353 -14.720 -18.090 1.00 0.00 O ATOM 1093 CB PHE A 73 -11.386 -16.494 -18.335 1.00 0.00 C ATOM 1094 CG PHE A 73 -12.106 -17.793 -18.110 1.00 0.00 C ATOM 1095 CD1 PHE A 73 -11.696 -18.664 -17.113 1.00 0.00 C ATOM 1096 CD2 PHE A 73 -13.193 -18.142 -18.895 1.00 0.00 C ATOM 1097 CE1 PHE A 73 -12.357 -19.859 -16.903 1.00 0.00 C ATOM 1098 CE2 PHE A 73 -13.858 -19.336 -18.689 1.00 0.00 C ATOM 1099 CZ PHE A 73 -13.439 -20.196 -17.693 1.00 0.00 C ATOM 0 H PHE A 73 -13.139 -15.023 -16.135 1.00 0.00 H new ATOM 0 HA PHE A 73 -11.255 -16.198 -16.210 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -11.860 -15.964 -19.161 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -10.360 -16.704 -18.637 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -10.850 -18.406 -16.493 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -13.524 -17.474 -19.676 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -12.028 -20.529 -16.122 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -14.705 -19.596 -19.307 1.00 0.00 H new ATOM 0 HZ PHE A 73 -13.956 -21.130 -17.532 1.00 0.00 H new ATOM 1109 N LYS A 74 -10.111 -13.702 -16.233 1.00 0.00 N ATOM 1110 CA LYS A 74 -9.030 -12.725 -16.194 1.00 0.00 C ATOM 1111 C LYS A 74 -8.287 -12.788 -14.863 1.00 0.00 C ATOM 1112 O LYS A 74 -8.854 -13.180 -13.843 1.00 0.00 O ATOM 1113 CB LYS A 74 -9.581 -11.314 -16.416 1.00 0.00 C ATOM 1114 CG LYS A 74 -9.907 -11.010 -17.868 1.00 0.00 C ATOM 1115 CD LYS A 74 -9.890 -9.516 -18.142 1.00 0.00 C ATOM 1116 CE LYS A 74 -10.426 -9.198 -19.529 1.00 0.00 C ATOM 1117 NZ LYS A 74 -9.869 -7.923 -20.060 1.00 0.00 N ATOM 0 H LYS A 74 -10.789 -13.610 -15.477 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.329 -12.965 -16.993 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.482 -11.186 -15.816 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.852 -10.588 -16.056 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.185 -11.508 -18.516 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.889 -11.415 -18.114 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.490 -9.001 -17.392 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.871 -9.140 -18.049 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.179 -10.013 -20.209 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.513 -9.132 -19.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.941 -7.918 -21.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.406 -7.121 -19.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.870 -7.838 -19.782 1.00 0.00 H new ATOM 1131 N ALA A 75 -7.017 -12.400 -14.880 1.00 0.00 N ATOM 1132 CA ALA A 75 -6.198 -12.409 -13.674 1.00 0.00 C ATOM 1133 C ALA A 75 -6.755 -11.453 -12.625 1.00 0.00 C ATOM 1134 O ALA A 75 -6.633 -10.234 -12.756 1.00 0.00 O ATOM 1135 CB ALA A 75 -4.759 -12.048 -14.010 1.00 0.00 C ATOM 0 H ALA A 75 -6.532 -12.075 -15.716 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.220 -13.416 -13.257 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.159 -12.059 -13.100 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.358 -12.773 -14.718 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.728 -11.053 -14.454 1.00 0.00 H new ATOM 1141 N ILE A 76 -7.367 -12.012 -11.587 1.00 0.00 N ATOM 1142 CA ILE A 76 -7.942 -11.208 -10.516 1.00 0.00 C ATOM 1143 C ILE A 76 -6.853 -10.519 -9.700 1.00 0.00 C ATOM 1144 O ILE A 76 -5.792 -11.092 -9.452 1.00 0.00 O ATOM 1145 CB ILE A 76 -8.810 -12.063 -9.574 1.00 0.00 C ATOM 1146 CG1 ILE A 76 -9.887 -12.803 -10.369 1.00 0.00 C ATOM 1147 CG2 ILE A 76 -9.442 -11.191 -8.499 1.00 0.00 C ATOM 1148 CD1 ILE A 76 -10.609 -13.863 -9.566 1.00 0.00 C ATOM 0 H ILE A 76 -7.478 -13.019 -11.465 1.00 0.00 H new ATOM 0 HA ILE A 76 -8.570 -10.453 -10.990 1.00 0.00 H new ATOM 0 HB ILE A 76 -8.173 -12.801 -9.087 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -10.615 -12.081 -10.739 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -9.428 -13.269 -11.241 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -10.052 -11.810 -7.841 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.658 -10.706 -7.917 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.068 -10.432 -8.968 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -11.358 -14.347 -10.193 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -9.892 -14.607 -9.218 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -11.097 -13.400 -8.708 1.00 0.00 H new ATOM 1160 N VAL A 77 -7.124 -9.285 -9.284 1.00 0.00 N ATOM 1161 CA VAL A 77 -6.168 -8.518 -8.494 1.00 0.00 C ATOM 1162 C VAL A 77 -6.560 -8.505 -7.020 1.00 0.00 C ATOM 1163 O VAL A 77 -7.736 -8.620 -6.679 1.00 0.00 O ATOM 1164 CB VAL A 77 -6.060 -7.067 -8.998 1.00 0.00 C ATOM 1165 CG1 VAL A 77 -5.061 -6.284 -8.160 1.00 0.00 C ATOM 1166 CG2 VAL A 77 -5.671 -7.041 -10.468 1.00 0.00 C ATOM 0 H VAL A 77 -7.997 -8.796 -9.481 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.200 -9.006 -8.606 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.036 -6.592 -8.896 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.998 -5.261 -8.531 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.388 -6.274 -7.120 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.081 -6.756 -8.228 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.599 -6.008 -10.807 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.707 -7.533 -10.598 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.427 -7.563 -11.054 1.00 0.00 H new ATOM 1176 N ALA A 78 -5.564 -8.365 -6.151 1.00 0.00 N ATOM 1177 CA ALA A 78 -5.804 -8.334 -4.714 1.00 0.00 C ATOM 1178 C ALA A 78 -6.711 -7.168 -4.333 1.00 0.00 C ATOM 1179 O ALA A 78 -7.838 -7.367 -3.883 1.00 0.00 O ATOM 1180 CB ALA A 78 -4.485 -8.248 -3.960 1.00 0.00 C ATOM 0 H ALA A 78 -4.584 -8.271 -6.417 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.309 -9.259 -4.435 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.680 -8.226 -2.888 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.872 -9.117 -4.199 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.958 -7.340 -4.252 1.00 0.00 H new ATOM 1186 N GLY A 79 -6.210 -5.950 -4.516 1.00 0.00 N ATOM 1187 CA GLY A 79 -6.987 -4.771 -4.186 1.00 0.00 C ATOM 1188 C GLY A 79 -8.384 -4.813 -4.775 1.00 0.00 C ATOM 1189 O GLY A 79 -9.355 -4.449 -4.112 1.00 0.00 O ATOM 0 H GLY A 79 -5.279 -5.759 -4.887 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.056 -4.677 -3.102 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.469 -3.884 -4.551 1.00 0.00 H new ATOM 1193 N ASP A 80 -8.484 -5.258 -6.022 1.00 0.00 N ATOM 1194 CA ASP A 80 -9.772 -5.346 -6.701 1.00 0.00 C ATOM 1195 C ASP A 80 -10.750 -6.201 -5.901 1.00 0.00 C ATOM 1196 O ASP A 80 -10.343 -7.032 -5.090 1.00 0.00 O ATOM 1197 CB ASP A 80 -9.595 -5.930 -8.104 1.00 0.00 C ATOM 1198 CG ASP A 80 -9.174 -4.884 -9.117 1.00 0.00 C ATOM 1199 OD1 ASP A 80 -9.432 -3.685 -8.875 1.00 0.00 O ATOM 1200 OD2 ASP A 80 -8.586 -5.263 -10.151 1.00 0.00 O ATOM 0 H ASP A 80 -7.689 -5.563 -6.584 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.180 -4.339 -6.784 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -8.848 -6.723 -8.073 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -10.531 -6.387 -8.425 1.00 0.00 H new ATOM 1205 N GLN A 81 -12.042 -5.990 -6.135 1.00 0.00 N ATOM 1206 CA GLN A 81 -13.077 -6.740 -5.435 1.00 0.00 C ATOM 1207 C GLN A 81 -13.440 -8.010 -6.198 1.00 0.00 C ATOM 1208 O GLN A 81 -13.727 -7.966 -7.393 1.00 0.00 O ATOM 1209 CB GLN A 81 -14.323 -5.873 -5.242 1.00 0.00 C ATOM 1210 CG GLN A 81 -14.098 -4.679 -4.328 1.00 0.00 C ATOM 1211 CD GLN A 81 -15.199 -3.643 -4.440 1.00 0.00 C ATOM 1212 OE1 GLN A 81 -16.073 -3.740 -5.301 1.00 0.00 O ATOM 1213 NE2 GLN A 81 -15.161 -2.643 -3.567 1.00 0.00 N ATOM 0 H GLN A 81 -12.396 -5.306 -6.804 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.686 -7.024 -4.458 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -14.662 -5.517 -6.215 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -15.124 -6.488 -4.832 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.032 -5.024 -3.296 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -13.142 -4.215 -4.571 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -14.418 -2.603 -2.870 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -15.875 -1.915 -3.594 1.00 0.00 H new ATOM 1222 N ASN A 82 -13.425 -9.139 -5.498 1.00 0.00 N ATOM 1223 CA ASN A 82 -13.751 -10.422 -6.110 1.00 0.00 C ATOM 1224 C ASN A 82 -14.764 -11.187 -5.263 1.00 0.00 C ATOM 1225 O ASN A 82 -15.144 -10.744 -4.179 1.00 0.00 O ATOM 1226 CB ASN A 82 -12.485 -11.261 -6.293 1.00 0.00 C ATOM 1227 CG ASN A 82 -11.536 -11.139 -5.116 1.00 0.00 C ATOM 1228 OD1 ASN A 82 -11.629 -11.894 -4.148 1.00 0.00 O ATOM 1229 ND2 ASN A 82 -10.616 -10.184 -5.195 1.00 0.00 N ATOM 0 H ASN A 82 -13.191 -9.192 -4.507 1.00 0.00 H new ATOM 0 HA ASN A 82 -14.194 -10.228 -7.087 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -12.762 -12.307 -6.426 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -11.973 -10.948 -7.203 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -9.950 -10.054 -4.434 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -10.576 -9.581 -6.017 1.00 0.00 H new ATOM 1236 N VAL A 83 -15.196 -12.340 -5.765 1.00 0.00 N ATOM 1237 CA VAL A 83 -16.163 -13.168 -5.054 1.00 0.00 C ATOM 1238 C VAL A 83 -15.812 -14.647 -5.173 1.00 0.00 C ATOM 1239 O VAL A 83 -15.890 -15.228 -6.255 1.00 0.00 O ATOM 1240 CB VAL A 83 -17.591 -12.946 -5.586 1.00 0.00 C ATOM 1241 CG1 VAL A 83 -18.607 -13.646 -4.697 1.00 0.00 C ATOM 1242 CG2 VAL A 83 -17.895 -11.459 -5.690 1.00 0.00 C ATOM 0 H VAL A 83 -14.892 -12.721 -6.661 1.00 0.00 H new ATOM 0 HA VAL A 83 -16.124 -12.871 -4.006 1.00 0.00 H new ATOM 0 HB VAL A 83 -17.660 -13.378 -6.584 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -19.610 -13.478 -5.089 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -18.399 -14.716 -4.679 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -18.541 -13.247 -3.685 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -18.908 -11.320 -6.068 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -17.809 -11.000 -4.705 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -17.186 -10.990 -6.372 1.00 0.00 H new ATOM 1252 N GLU A 84 -15.426 -15.250 -4.053 1.00 0.00 N ATOM 1253 CA GLU A 84 -15.063 -16.662 -4.032 1.00 0.00 C ATOM 1254 C GLU A 84 -16.192 -17.506 -3.448 1.00 0.00 C ATOM 1255 O GLU A 84 -16.779 -17.154 -2.425 1.00 0.00 O ATOM 1256 CB GLU A 84 -13.783 -16.871 -3.221 1.00 0.00 C ATOM 1257 CG GLU A 84 -13.062 -18.169 -3.544 1.00 0.00 C ATOM 1258 CD GLU A 84 -12.267 -18.703 -2.368 1.00 0.00 C ATOM 1259 OE1 GLU A 84 -12.881 -19.288 -1.453 1.00 0.00 O ATOM 1260 OE2 GLU A 84 -11.029 -18.534 -2.365 1.00 0.00 O ATOM 0 H GLU A 84 -15.357 -14.783 -3.149 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.889 -16.981 -5.060 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.107 -16.035 -3.403 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.029 -16.857 -2.159 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.791 -18.917 -3.855 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.391 -18.007 -4.388 1.00 0.00 H new ATOM 1267 N TYR A 85 -16.491 -18.621 -4.106 1.00 0.00 N ATOM 1268 CA TYR A 85 -17.551 -19.514 -3.654 1.00 0.00 C ATOM 1269 C TYR A 85 -17.018 -20.926 -3.436 1.00 0.00 C ATOM 1270 O TYR A 85 -16.727 -21.326 -2.308 1.00 0.00 O ATOM 1271 CB TYR A 85 -18.693 -19.540 -4.672 1.00 0.00 C ATOM 1272 CG TYR A 85 -19.713 -20.624 -4.409 1.00 0.00 C ATOM 1273 CD1 TYR A 85 -20.120 -20.924 -3.115 1.00 0.00 C ATOM 1274 CD2 TYR A 85 -20.270 -21.349 -5.455 1.00 0.00 C ATOM 1275 CE1 TYR A 85 -21.052 -21.914 -2.870 1.00 0.00 C ATOM 1276 CE2 TYR A 85 -21.204 -22.340 -5.220 1.00 0.00 C ATOM 1277 CZ TYR A 85 -21.591 -22.619 -3.926 1.00 0.00 C ATOM 1278 OH TYR A 85 -22.519 -23.606 -3.687 1.00 0.00 O ATOM 0 H TYR A 85 -16.014 -18.928 -4.954 1.00 0.00 H new ATOM 0 HA TYR A 85 -17.928 -19.137 -2.703 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -19.194 -18.572 -4.668 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -18.276 -19.679 -5.670 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -19.700 -20.374 -2.286 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -19.968 -21.134 -6.469 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -21.357 -22.135 -1.858 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -21.628 -22.893 -6.045 1.00 0.00 H new ATOM 0 HH TYR A 85 -22.799 -24.004 -4.537 1.00 0.00 H new ATOM 1288 N LYS A 86 -16.891 -21.678 -4.523 1.00 0.00 N ATOM 1289 CA LYS A 86 -16.391 -23.046 -4.455 1.00 0.00 C ATOM 1290 C LYS A 86 -15.125 -23.206 -5.290 1.00 0.00 C ATOM 1291 O LYS A 86 -15.189 -23.504 -6.482 1.00 0.00 O ATOM 1292 CB LYS A 86 -17.461 -24.028 -4.939 1.00 0.00 C ATOM 1293 CG LYS A 86 -18.611 -24.203 -3.963 1.00 0.00 C ATOM 1294 CD LYS A 86 -18.246 -25.154 -2.836 1.00 0.00 C ATOM 1295 CE LYS A 86 -19.189 -25.003 -1.652 1.00 0.00 C ATOM 1296 NZ LYS A 86 -18.845 -23.820 -0.816 1.00 0.00 N ATOM 0 H LYS A 86 -17.128 -21.363 -5.464 1.00 0.00 H new ATOM 0 HA LYS A 86 -16.149 -23.265 -3.415 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -17.855 -23.681 -5.894 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -16.997 -24.998 -5.119 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -18.887 -23.234 -3.547 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -19.484 -24.583 -4.493 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -18.279 -26.181 -3.200 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -17.222 -24.963 -2.514 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -20.213 -24.907 -2.013 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -19.150 -25.904 -1.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -19.113 -24.003 0.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -17.822 -23.643 -0.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -19.359 -22.986 -1.166 1.00 0.00 H new ATOM 1310 N GLY A 87 -13.973 -23.005 -4.656 1.00 0.00 N ATOM 1311 CA GLY A 87 -12.708 -23.132 -5.357 1.00 0.00 C ATOM 1312 C GLY A 87 -12.438 -21.963 -6.282 1.00 0.00 C ATOM 1313 O GLY A 87 -11.346 -21.395 -6.275 1.00 0.00 O ATOM 0 H GLY A 87 -13.893 -22.757 -3.670 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -11.900 -23.210 -4.630 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -12.708 -24.056 -5.935 1.00 0.00 H new ATOM 1317 N THR A 88 -13.436 -21.601 -7.083 1.00 0.00 N ATOM 1318 CA THR A 88 -13.300 -20.494 -8.021 1.00 0.00 C ATOM 1319 C THR A 88 -13.875 -19.207 -7.440 1.00 0.00 C ATOM 1320 O THR A 88 -14.736 -19.242 -6.561 1.00 0.00 O ATOM 1321 CB THR A 88 -14.003 -20.800 -9.357 1.00 0.00 C ATOM 1322 OG1 THR A 88 -13.769 -22.161 -9.733 1.00 0.00 O ATOM 1323 CG2 THR A 88 -13.505 -19.872 -10.455 1.00 0.00 C ATOM 0 H THR A 88 -14.347 -22.059 -7.100 1.00 0.00 H new ATOM 0 HA THR A 88 -12.233 -20.363 -8.202 1.00 0.00 H new ATOM 0 HB THR A 88 -15.073 -20.639 -9.225 1.00 0.00 H new ATOM 0 HG1 THR A 88 -14.221 -22.348 -10.582 1.00 0.00 H new ATOM 0 HG21 THR A 88 -14.015 -20.107 -11.389 1.00 0.00 H new ATOM 0 HG22 THR A 88 -13.711 -18.838 -10.179 1.00 0.00 H new ATOM 0 HG23 THR A 88 -12.431 -20.006 -10.585 1.00 0.00 H new ATOM 1331 N VAL A 89 -13.395 -18.072 -7.937 1.00 0.00 N ATOM 1332 CA VAL A 89 -13.863 -16.773 -7.468 1.00 0.00 C ATOM 1333 C VAL A 89 -14.165 -15.843 -8.637 1.00 0.00 C ATOM 1334 O VAL A 89 -13.318 -15.623 -9.503 1.00 0.00 O ATOM 1335 CB VAL A 89 -12.828 -16.103 -6.546 1.00 0.00 C ATOM 1336 CG1 VAL A 89 -11.422 -16.569 -6.894 1.00 0.00 C ATOM 1337 CG2 VAL A 89 -12.934 -14.588 -6.640 1.00 0.00 C ATOM 0 H VAL A 89 -12.682 -18.025 -8.665 1.00 0.00 H new ATOM 0 HA VAL A 89 -14.779 -16.951 -6.904 1.00 0.00 H new ATOM 0 HB VAL A 89 -13.039 -16.397 -5.518 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.704 -16.085 -6.232 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -11.356 -17.650 -6.772 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.197 -16.306 -7.928 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -12.195 -14.130 -5.982 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -12.750 -14.273 -7.667 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -13.933 -14.274 -6.338 1.00 0.00 H new ATOM 1347 N TRP A 90 -15.376 -15.299 -8.656 1.00 0.00 N ATOM 1348 CA TRP A 90 -15.790 -14.391 -9.719 1.00 0.00 C ATOM 1349 C TRP A 90 -15.698 -12.939 -9.262 1.00 0.00 C ATOM 1350 O TRP A 90 -15.931 -12.630 -8.093 1.00 0.00 O ATOM 1351 CB TRP A 90 -17.219 -14.709 -10.163 1.00 0.00 C ATOM 1352 CG TRP A 90 -17.485 -16.178 -10.301 1.00 0.00 C ATOM 1353 CD1 TRP A 90 -17.415 -17.120 -9.315 1.00 0.00 C ATOM 1354 CD2 TRP A 90 -17.861 -16.871 -11.496 1.00 0.00 C ATOM 1355 NE1 TRP A 90 -17.725 -18.358 -9.825 1.00 0.00 N ATOM 1356 CE2 TRP A 90 -18.003 -18.232 -11.160 1.00 0.00 C ATOM 1357 CE3 TRP A 90 -18.095 -16.475 -12.816 1.00 0.00 C ATOM 1358 CZ2 TRP A 90 -18.366 -19.195 -12.098 1.00 0.00 C ATOM 1359 CZ3 TRP A 90 -18.454 -17.433 -13.745 1.00 0.00 C ATOM 1360 CH2 TRP A 90 -18.588 -18.780 -13.382 1.00 0.00 C ATOM 0 H TRP A 90 -16.089 -15.471 -7.947 1.00 0.00 H new ATOM 0 HA TRP A 90 -15.115 -14.530 -10.564 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -17.919 -14.287 -9.442 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -17.412 -14.221 -11.118 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -17.154 -16.921 -8.286 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -17.745 -19.229 -9.295 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -17.997 -15.439 -13.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -18.469 -20.234 -11.821 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -18.634 -17.139 -14.768 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -18.872 -19.504 -14.131 1.00 0.00 H new ATOM 1371 N HIS A 91 -15.356 -12.051 -10.191 1.00 0.00 N ATOM 1372 CA HIS A 91 -15.234 -10.631 -9.882 1.00 0.00 C ATOM 1373 C HIS A 91 -16.510 -10.105 -9.233 1.00 0.00 C ATOM 1374 O HIS A 91 -17.607 -10.591 -9.510 1.00 0.00 O ATOM 1375 CB HIS A 91 -14.929 -9.836 -11.152 1.00 0.00 C ATOM 1376 CG HIS A 91 -13.513 -9.977 -11.621 1.00 0.00 C ATOM 1377 ND1 HIS A 91 -13.180 -10.381 -12.897 1.00 0.00 N ATOM 1378 CD2 HIS A 91 -12.342 -9.764 -10.978 1.00 0.00 C ATOM 1379 CE1 HIS A 91 -11.865 -10.412 -13.018 1.00 0.00 C ATOM 1380 NE2 HIS A 91 -11.333 -10.041 -11.867 1.00 0.00 N ATOM 0 H HIS A 91 -15.159 -12.290 -11.163 1.00 0.00 H new ATOM 0 HA HIS A 91 -14.411 -10.507 -9.178 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -15.600 -10.163 -11.946 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -15.140 -8.782 -10.971 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -13.845 -10.619 -13.633 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -12.223 -9.437 -9.956 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -11.318 -10.693 -13.906 1.00 0.00 H new ATOM 1388 N LYS A 92 -16.359 -9.108 -8.366 1.00 0.00 N ATOM 1389 CA LYS A 92 -17.499 -8.515 -7.677 1.00 0.00 C ATOM 1390 C LYS A 92 -18.633 -8.220 -8.654 1.00 0.00 C ATOM 1391 O LYS A 92 -19.807 -8.255 -8.285 1.00 0.00 O ATOM 1392 CB LYS A 92 -17.076 -7.227 -6.966 1.00 0.00 C ATOM 1393 CG LYS A 92 -17.801 -6.993 -5.651 1.00 0.00 C ATOM 1394 CD LYS A 92 -19.282 -7.311 -5.767 1.00 0.00 C ATOM 1395 CE LYS A 92 -19.991 -7.156 -4.430 1.00 0.00 C ATOM 1396 NZ LYS A 92 -21.347 -7.773 -4.447 1.00 0.00 N ATOM 0 H LYS A 92 -15.458 -8.694 -8.124 1.00 0.00 H new ATOM 0 HA LYS A 92 -17.858 -9.231 -6.938 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -16.003 -7.261 -6.779 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -17.258 -6.380 -7.627 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -17.355 -7.613 -4.873 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -17.674 -5.955 -5.344 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -19.741 -6.650 -6.502 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -19.409 -8.330 -6.132 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -19.392 -7.618 -3.645 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -20.077 -6.097 -4.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -21.798 -7.646 -3.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -21.927 -7.315 -5.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -21.264 -8.788 -4.656 1.00 0.00 H new ATOM 1410 N ASP A 93 -18.274 -7.931 -9.900 1.00 0.00 N ATOM 1411 CA ASP A 93 -19.261 -7.633 -10.930 1.00 0.00 C ATOM 1412 C ASP A 93 -19.769 -8.914 -11.583 1.00 0.00 C ATOM 1413 O ASP A 93 -20.976 -9.129 -11.698 1.00 0.00 O ATOM 1414 CB ASP A 93 -18.660 -6.709 -11.991 1.00 0.00 C ATOM 1415 CG ASP A 93 -19.665 -6.320 -13.057 1.00 0.00 C ATOM 1416 OD1 ASP A 93 -20.569 -7.132 -13.344 1.00 0.00 O ATOM 1417 OD2 ASP A 93 -19.547 -5.204 -13.606 1.00 0.00 O ATOM 0 H ASP A 93 -17.306 -7.897 -10.221 1.00 0.00 H new ATOM 0 HA ASP A 93 -20.103 -7.129 -10.456 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -18.278 -5.808 -11.510 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -17.810 -7.204 -12.461 1.00 0.00 H new ATOM 1422 N CYS A 94 -18.840 -9.763 -12.011 1.00 0.00 N ATOM 1423 CA CYS A 94 -19.193 -11.022 -12.655 1.00 0.00 C ATOM 1424 C CYS A 94 -20.192 -11.805 -11.807 1.00 0.00 C ATOM 1425 O CYS A 94 -21.169 -12.348 -12.324 1.00 0.00 O ATOM 1426 CB CYS A 94 -17.939 -11.866 -12.893 1.00 0.00 C ATOM 1427 SG CYS A 94 -16.835 -11.209 -14.184 1.00 0.00 S ATOM 0 H CYS A 94 -17.837 -9.601 -11.923 1.00 0.00 H new ATOM 0 HA CYS A 94 -19.657 -10.793 -13.614 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -17.383 -11.943 -11.959 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -18.241 -12.877 -13.168 1.00 0.00 H new ATOM 0 HG CYS A 94 -15.705 -11.851 -14.157 1.00 0.00 H new ATOM 1432 N PHE A 95 -19.940 -11.858 -10.504 1.00 0.00 N ATOM 1433 CA PHE A 95 -20.816 -12.575 -9.584 1.00 0.00 C ATOM 1434 C PHE A 95 -22.091 -11.780 -9.318 1.00 0.00 C ATOM 1435 O PHE A 95 -22.226 -11.130 -8.281 1.00 0.00 O ATOM 1436 CB PHE A 95 -20.090 -12.853 -8.266 1.00 0.00 C ATOM 1437 CG PHE A 95 -20.561 -14.100 -7.574 1.00 0.00 C ATOM 1438 CD1 PHE A 95 -21.854 -14.191 -7.085 1.00 0.00 C ATOM 1439 CD2 PHE A 95 -19.709 -15.181 -7.413 1.00 0.00 C ATOM 1440 CE1 PHE A 95 -22.290 -15.338 -6.449 1.00 0.00 C ATOM 1441 CE2 PHE A 95 -20.140 -16.330 -6.777 1.00 0.00 C ATOM 1442 CZ PHE A 95 -21.431 -16.409 -6.293 1.00 0.00 C ATOM 0 H PHE A 95 -19.136 -11.413 -10.061 1.00 0.00 H new ATOM 0 HA PHE A 95 -21.089 -13.524 -10.046 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -19.021 -12.936 -8.460 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -20.227 -12.002 -7.598 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -22.529 -13.356 -7.202 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -18.698 -15.125 -7.788 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -23.301 -15.397 -6.074 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -19.467 -17.166 -6.659 1.00 0.00 H new ATOM 0 HZ PHE A 95 -21.768 -17.305 -5.794 1.00 0.00 H new