USER MOD reduce.3.24.130724 H: found=0, std=0, add=1227, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1226 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: B 70 HIS :FLIP no HE2:sc= -3.43! C(o=-6.5!,f=-2!) USER MOD Set 1.2: B 104 LYS NZ :NH3+ -156:sc= 1.46 (180deg=0.812) USER MOD Set 2.1: B 14 LYS NZ :NH3+ -175:sc= 1.34 (180deg=0.116) USER MOD Set 2.2: B 81 ASN : amide:sc= 1.86 K(o=3.2,f=-13!) USER MOD Set 2.3: B 84 THR OG1 : rot 180:sc= -0.0271 USER MOD Set 3.1: B 62 LYS NZ :NH3+ -128:sc= 0.779 (180deg=-0.25) USER MOD Set 3.2: B 64 GLN : amide:sc= 0.0391 K(o=-3,f=-14!) USER MOD Set 3.3: B 78 HIS : no HE2:sc= -3.77! C(o=-3!,f=-3.9!) USER MOD Set 4.1: B 51 LYS NZ :NH3+ 175:sc= 0.199 (180deg=0.194) USER MOD Set 4.2: B 52 CYS SG : rot 15:sc= -0.119 USER MOD Set 5.1: A 409 SER OG : rot -79:sc= 1.74 USER MOD Set 5.2: A 410 GLN : amide:sc= 0.385 K(o=2.1,f=1.1) USER MOD Set 6.1: A 405 TYR OH : rot -11:sc= -0.191 USER MOD Set 6.2: A 426 TYR OH : rot 120:sc= -0.772 USER MOD Single : A 397 MET CE :methyl -138:sc= 0 (180deg=-1.8!) USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 406 SER OG : rot 36:sc= 1.24 USER MOD Single : A 417 GLN : amide:sc= 0.941 K(o=0.94,f=-6.2!) USER MOD Single : A 418 MET CE :methyl -155:sc= -4.95! (180deg=-6.83!) USER MOD Single : A 419 THR OG1 : rot 154:sc= 0.847 USER MOD Single : A 423 LYS NZ :NH3+ -177:sc= -3.04! (180deg=-3.24!) USER MOD Single : A 429 MET CE :methyl 148:sc= -4.2! (180deg=-6.21!) USER MOD Single : A 431 GLN : amide:sc= 1.87 K(o=1.9,f=-5.7!) USER MOD Single : A 433 MET CE :methyl 175:sc= -1.85 (180deg=-1.94) USER MOD Single : B 13 LYS NZ :NH3+ -118:sc= -0.503 (180deg=-1.46!) USER MOD Single : B 17 GLN : amide:sc= -0.0952 X(o=-0.095,f=-0.24) USER MOD Single : B 18 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0775) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 GLN :FLIP amide:sc= -0.11 F(o=-0.97!,f=-0.11) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl -137:sc= -2.69! (180deg=-9.15!) USER MOD Single : B 38 LYS NZ :NH3+ -148:sc= 0.975 (180deg=0.592) USER MOD Single : B 42 THR OG1 : rot 180:sc=-0.00264 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 45 HIS : no HD1:sc= -0.221 X(o=-0.22,f=-0.44) USER MOD Single : B 46 MET CE :methyl 166:sc= -1.08 (180deg=-1.16) USER MOD Single : B 47 TYR OH : rot 138:sc= 1.18 USER MOD Single : B 53 GLN : amide:sc= -7.1! C(o=-7.1!,f=-12!) USER MOD Single : B 54 LYS NZ :NH3+ 143:sc= -0.558! (180deg=-3.73!) USER MOD Single : B 56 SER OG : rot 37:sc= 1.77 USER MOD Single : B 60 LYS NZ :NH3+ 146:sc= 1.9 (180deg=0.633!) USER MOD Single : B 66 GLN : amide:sc= -4.88! C(o=-4.9!,f=-7.7!) USER MOD Single : B 74 THR OG1 : rot 29:sc= 0.618 USER MOD Single : B 75 THR OG1 : rot 180:sc= 0 USER MOD Single : B 76 ASN : amide:sc= 0.115 K(o=0.11,f=-4.4!) USER MOD Single : B 80 SER OG : rot -81:sc= 0 USER MOD Single : B 83 SER OG : rot -73:sc= 0.586 USER MOD Single : B 87 LYS NZ :NH3+ 168:sc= 1.22 (180deg=1.11) USER MOD Single : B 93 LYS NZ :NH3+ 142:sc= 2.73 (180deg=-0.156) USER MOD Single : B 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 98 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : B 102 LYS NZ :NH3+ 149:sc= 1.1 (180deg=0.79) USER MOD ----------------------------------------------------------------- ATOM 58 N GLU A 382 9.480 13.064 11.357 1.00 0.00 N ATOM 59 CA GLU A 382 8.578 12.193 10.620 1.00 0.00 C ATOM 60 C GLU A 382 7.656 11.503 11.622 1.00 0.00 C ATOM 61 O GLU A 382 7.983 10.446 12.163 1.00 0.00 O ATOM 62 CB GLU A 382 9.372 11.159 9.806 1.00 0.00 C ATOM 63 CG GLU A 382 10.780 11.612 9.421 1.00 0.00 C ATOM 64 CD GLU A 382 10.807 12.587 8.256 1.00 0.00 C ATOM 65 OE1 GLU A 382 10.000 13.542 8.253 1.00 0.00 O ATOM 66 OE2 GLU A 382 11.641 12.402 7.338 1.00 0.00 O ATOM 0 HA GLU A 382 7.986 12.778 9.916 1.00 0.00 H new ATOM 0 HB2 GLU A 382 9.444 10.237 10.383 1.00 0.00 H new ATOM 0 HB3 GLU A 382 8.817 10.924 8.898 1.00 0.00 H new ATOM 0 HG2 GLU A 382 11.252 12.079 10.286 1.00 0.00 H new ATOM 0 HG3 GLU A 382 11.377 10.737 9.166 1.00 0.00 H new ATOM 73 N GLU A 383 6.515 12.123 11.878 1.00 0.00 N ATOM 74 CA GLU A 383 5.557 11.613 12.854 1.00 0.00 C ATOM 75 C GLU A 383 4.438 10.788 12.222 1.00 0.00 C ATOM 76 O GLU A 383 4.548 10.311 11.091 1.00 0.00 O ATOM 77 CB GLU A 383 4.948 12.782 13.646 1.00 0.00 C ATOM 78 CG GLU A 383 4.728 14.059 12.833 1.00 0.00 C ATOM 79 CD GLU A 383 4.072 13.814 11.485 1.00 0.00 C ATOM 80 OE1 GLU A 383 2.887 13.428 11.450 1.00 0.00 O ATOM 81 OE2 GLU A 383 4.752 13.987 10.455 1.00 0.00 O ATOM 0 H GLU A 383 6.226 12.988 11.421 1.00 0.00 H new ATOM 0 HA GLU A 383 6.109 10.947 13.517 1.00 0.00 H new ATOM 0 HB2 GLU A 383 3.992 12.463 14.061 1.00 0.00 H new ATOM 0 HB3 GLU A 383 5.601 13.012 14.488 1.00 0.00 H new ATOM 0 HG2 GLU A 383 4.108 14.745 13.410 1.00 0.00 H new ATOM 0 HG3 GLU A 383 5.688 14.551 12.677 1.00 0.00 H new ATOM 88 N ASP A 384 3.364 10.636 12.992 1.00 0.00 N ATOM 89 CA ASP A 384 2.179 9.898 12.580 1.00 0.00 C ATOM 90 C ASP A 384 0.947 10.675 13.030 1.00 0.00 C ATOM 91 O ASP A 384 0.035 10.132 13.650 1.00 0.00 O ATOM 92 CB ASP A 384 2.174 8.496 13.198 1.00 0.00 C ATOM 93 CG ASP A 384 1.696 7.441 12.223 1.00 0.00 C ATOM 94 OD1 ASP A 384 2.364 7.255 11.187 1.00 0.00 O ATOM 95 OD2 ASP A 384 0.658 6.795 12.486 1.00 0.00 O ATOM 0 H ASP A 384 3.294 11.028 13.931 1.00 0.00 H new ATOM 0 HA ASP A 384 2.176 9.786 11.496 1.00 0.00 H new ATOM 0 HB2 ASP A 384 3.180 8.247 13.536 1.00 0.00 H new ATOM 0 HB3 ASP A 384 1.532 8.492 14.079 1.00 0.00 H new ATOM 100 N ASP A 385 0.947 11.965 12.711 1.00 0.00 N ATOM 101 CA ASP A 385 -0.129 12.876 13.105 1.00 0.00 C ATOM 102 C ASP A 385 -1.445 12.608 12.377 1.00 0.00 C ATOM 103 O ASP A 385 -2.512 12.960 12.875 1.00 0.00 O ATOM 104 CB ASP A 385 0.317 14.325 12.868 1.00 0.00 C ATOM 105 CG ASP A 385 -0.658 15.351 13.414 1.00 0.00 C ATOM 106 OD1 ASP A 385 -0.858 15.390 14.642 1.00 0.00 O ATOM 107 OD2 ASP A 385 -1.212 16.133 12.606 1.00 0.00 O ATOM 0 H ASP A 385 1.690 12.411 12.173 1.00 0.00 H new ATOM 0 HA ASP A 385 -0.322 12.704 14.164 1.00 0.00 H new ATOM 0 HB2 ASP A 385 1.292 14.478 13.331 1.00 0.00 H new ATOM 0 HB3 ASP A 385 0.444 14.488 11.798 1.00 0.00 H new ATOM 112 N GLU A 386 -1.390 11.963 11.219 1.00 0.00 N ATOM 113 CA GLU A 386 -2.587 11.698 10.460 1.00 0.00 C ATOM 114 C GLU A 386 -2.285 10.672 9.412 1.00 0.00 C ATOM 115 O GLU A 386 -1.802 11.001 8.330 1.00 0.00 O ATOM 116 CB GLU A 386 -3.075 12.964 9.787 1.00 0.00 C ATOM 117 CG GLU A 386 -4.555 13.236 9.922 1.00 0.00 C ATOM 118 CD GLU A 386 -4.948 14.491 9.171 1.00 0.00 C ATOM 119 OE1 GLU A 386 -4.581 15.590 9.635 1.00 0.00 O ATOM 120 OE2 GLU A 386 -5.577 14.382 8.102 1.00 0.00 O ATOM 0 H GLU A 386 -0.530 11.618 10.793 1.00 0.00 H new ATOM 0 HA GLU A 386 -3.362 11.333 11.134 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -2.527 13.811 10.201 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -2.827 12.911 8.727 1.00 0.00 H new ATOM 0 HG2 GLU A 386 -5.121 12.387 9.539 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -4.814 13.342 10.975 1.00 0.00 H new ATOM 127 N PHE A 387 -2.515 9.432 9.751 1.00 0.00 N ATOM 128 CA PHE A 387 -2.259 8.358 8.829 1.00 0.00 C ATOM 129 C PHE A 387 -3.457 7.445 8.743 1.00 0.00 C ATOM 130 O PHE A 387 -3.849 6.804 9.722 1.00 0.00 O ATOM 131 CB PHE A 387 -1.013 7.567 9.230 1.00 0.00 C ATOM 132 CG PHE A 387 0.274 8.284 8.952 1.00 0.00 C ATOM 133 CD1 PHE A 387 0.593 9.439 9.640 1.00 0.00 C ATOM 134 CD2 PHE A 387 1.161 7.811 7.999 1.00 0.00 C ATOM 135 CE1 PHE A 387 1.763 10.109 9.390 1.00 0.00 C ATOM 136 CE2 PHE A 387 2.336 8.482 7.744 1.00 0.00 C ATOM 137 CZ PHE A 387 2.634 9.632 8.442 1.00 0.00 C ATOM 0 H PHE A 387 -2.879 9.140 10.658 1.00 0.00 H new ATOM 0 HA PHE A 387 -2.076 8.794 7.847 1.00 0.00 H new ATOM 0 HB2 PHE A 387 -1.067 7.336 10.294 1.00 0.00 H new ATOM 0 HB3 PHE A 387 -1.011 6.616 8.697 1.00 0.00 H new ATOM 0 HD1 PHE A 387 -0.089 9.820 10.386 1.00 0.00 H new ATOM 0 HD2 PHE A 387 0.929 6.909 7.452 1.00 0.00 H new ATOM 0 HE1 PHE A 387 1.999 11.010 9.937 1.00 0.00 H new ATOM 0 HE2 PHE A 387 3.022 8.108 6.999 1.00 0.00 H new ATOM 0 HZ PHE A 387 3.555 10.160 8.243 1.00 0.00 H new ATOM 147 N GLU A 388 -3.998 7.361 7.552 1.00 0.00 N ATOM 148 CA GLU A 388 -5.159 6.551 7.302 1.00 0.00 C ATOM 149 C GLU A 388 -4.689 5.152 7.056 1.00 0.00 C ATOM 150 O GLU A 388 -3.904 4.931 6.133 1.00 0.00 O ATOM 151 CB GLU A 388 -5.928 7.064 6.078 1.00 0.00 C ATOM 152 CG GLU A 388 -6.475 8.471 6.241 1.00 0.00 C ATOM 153 CD GLU A 388 -7.425 8.586 7.420 1.00 0.00 C ATOM 154 OE1 GLU A 388 -6.949 8.532 8.575 1.00 0.00 O ATOM 155 OE2 GLU A 388 -8.644 8.717 7.190 1.00 0.00 O ATOM 0 H GLU A 388 -3.644 7.853 6.731 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.833 6.591 8.158 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -5.269 7.039 5.210 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.755 6.385 5.870 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.647 9.167 6.375 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.994 8.765 5.329 1.00 0.00 H new ATOM 162 N GLU A 389 -5.092 4.218 7.902 1.00 0.00 N ATOM 163 CA GLU A 389 -4.688 2.851 7.692 1.00 0.00 C ATOM 164 C GLU A 389 -5.271 2.425 6.361 1.00 0.00 C ATOM 165 O GLU A 389 -6.477 2.207 6.245 1.00 0.00 O ATOM 166 CB GLU A 389 -5.181 1.933 8.817 1.00 0.00 C ATOM 167 CG GLU A 389 -4.612 0.519 8.745 1.00 0.00 C ATOM 168 CD GLU A 389 -4.143 -0.001 10.091 1.00 0.00 C ATOM 169 OE1 GLU A 389 -3.924 0.831 11.002 1.00 0.00 O ATOM 170 OE2 GLU A 389 -3.980 -1.236 10.238 1.00 0.00 O ATOM 0 H GLU A 389 -5.683 4.381 8.718 1.00 0.00 H new ATOM 0 HA GLU A 389 -3.601 2.775 7.692 1.00 0.00 H new ATOM 0 HB2 GLU A 389 -4.915 2.374 9.778 1.00 0.00 H new ATOM 0 HB3 GLU A 389 -6.269 1.880 8.781 1.00 0.00 H new ATOM 0 HG2 GLU A 389 -5.373 -0.153 8.347 1.00 0.00 H new ATOM 0 HG3 GLU A 389 -3.777 0.505 8.045 1.00 0.00 H new ATOM 177 N VAL A 390 -4.426 2.340 5.353 1.00 0.00 N ATOM 178 CA VAL A 390 -4.892 1.964 4.054 1.00 0.00 C ATOM 179 C VAL A 390 -5.123 0.475 4.056 1.00 0.00 C ATOM 180 O VAL A 390 -4.341 -0.273 4.641 1.00 0.00 O ATOM 181 CB VAL A 390 -3.922 2.308 2.903 1.00 0.00 C ATOM 182 CG1 VAL A 390 -4.648 2.290 1.572 1.00 0.00 C ATOM 183 CG2 VAL A 390 -3.260 3.646 3.107 1.00 0.00 C ATOM 0 H VAL A 390 -3.425 2.526 5.417 1.00 0.00 H new ATOM 0 HA VAL A 390 -5.802 2.535 3.868 1.00 0.00 H new ATOM 0 HB VAL A 390 -3.143 1.546 2.899 1.00 0.00 H new ATOM 0 HG11 VAL A 390 -3.949 2.535 0.773 1.00 0.00 H new ATOM 0 HG12 VAL A 390 -5.065 1.298 1.398 1.00 0.00 H new ATOM 0 HG13 VAL A 390 -5.453 3.024 1.587 1.00 0.00 H new ATOM 0 HG21 VAL A 390 -2.586 3.849 2.275 1.00 0.00 H new ATOM 0 HG22 VAL A 390 -4.021 4.425 3.156 1.00 0.00 H new ATOM 0 HG23 VAL A 390 -2.693 3.633 4.038 1.00 0.00 H new ATOM 193 N ALA A 391 -6.185 0.051 3.433 1.00 0.00 N ATOM 194 CA ALA A 391 -6.492 -1.348 3.365 1.00 0.00 C ATOM 195 C ALA A 391 -6.044 -1.900 2.033 1.00 0.00 C ATOM 196 O ALA A 391 -6.024 -1.184 1.033 1.00 0.00 O ATOM 197 CB ALA A 391 -7.981 -1.579 3.569 1.00 0.00 C ATOM 0 H ALA A 391 -6.856 0.658 2.963 1.00 0.00 H new ATOM 0 HA ALA A 391 -5.960 -1.869 4.161 1.00 0.00 H new ATOM 0 HB1 ALA A 391 -8.194 -2.646 3.514 1.00 0.00 H new ATOM 0 HB2 ALA A 391 -8.277 -1.200 4.547 1.00 0.00 H new ATOM 0 HB3 ALA A 391 -8.540 -1.057 2.793 1.00 0.00 H new ATOM 203 N ASP A 392 -5.608 -3.135 2.056 1.00 0.00 N ATOM 204 CA ASP A 392 -5.195 -3.860 0.863 1.00 0.00 C ATOM 205 C ASP A 392 -6.423 -4.151 0.005 1.00 0.00 C ATOM 206 O ASP A 392 -6.842 -5.295 -0.166 1.00 0.00 O ATOM 207 CB ASP A 392 -4.477 -5.160 1.255 1.00 0.00 C ATOM 208 CG ASP A 392 -5.260 -6.013 2.240 1.00 0.00 C ATOM 209 OD1 ASP A 392 -5.506 -5.547 3.376 1.00 0.00 O ATOM 210 OD2 ASP A 392 -5.611 -7.158 1.888 1.00 0.00 O ATOM 0 H ASP A 392 -5.526 -3.680 2.914 1.00 0.00 H new ATOM 0 HA ASP A 392 -4.496 -3.254 0.286 1.00 0.00 H new ATOM 0 HB2 ASP A 392 -4.283 -5.744 0.355 1.00 0.00 H new ATOM 0 HB3 ASP A 392 -3.508 -4.914 1.690 1.00 0.00 H new ATOM 215 N ASP A 393 -6.994 -3.088 -0.531 1.00 0.00 N ATOM 216 CA ASP A 393 -8.193 -3.177 -1.334 1.00 0.00 C ATOM 217 C ASP A 393 -7.891 -3.451 -2.798 1.00 0.00 C ATOM 218 O ASP A 393 -7.239 -2.656 -3.474 1.00 0.00 O ATOM 219 CB ASP A 393 -8.976 -1.878 -1.209 1.00 0.00 C ATOM 220 CG ASP A 393 -10.466 -2.085 -1.389 1.00 0.00 C ATOM 221 OD1 ASP A 393 -11.097 -2.691 -0.500 1.00 0.00 O ATOM 222 OD2 ASP A 393 -11.021 -1.638 -2.415 1.00 0.00 O ATOM 0 H ASP A 393 -6.637 -2.139 -0.420 1.00 0.00 H new ATOM 0 HA ASP A 393 -8.780 -4.017 -0.962 1.00 0.00 H new ATOM 0 HB2 ASP A 393 -8.788 -1.436 -0.230 1.00 0.00 H new ATOM 0 HB3 ASP A 393 -8.618 -1.167 -1.954 1.00 0.00 H new ATOM 227 N PRO A 394 -8.375 -4.590 -3.305 1.00 0.00 N ATOM 228 CA PRO A 394 -8.188 -4.977 -4.697 1.00 0.00 C ATOM 229 C PRO A 394 -9.193 -4.291 -5.619 1.00 0.00 C ATOM 230 O PRO A 394 -10.186 -3.714 -5.168 1.00 0.00 O ATOM 231 CB PRO A 394 -8.436 -6.484 -4.665 1.00 0.00 C ATOM 232 CG PRO A 394 -9.425 -6.666 -3.573 1.00 0.00 C ATOM 233 CD PRO A 394 -9.122 -5.607 -2.546 1.00 0.00 C ATOM 0 HA PRO A 394 -7.208 -4.696 -5.082 1.00 0.00 H new ATOM 0 HB2 PRO A 394 -8.824 -6.844 -5.618 1.00 0.00 H new ATOM 0 HB3 PRO A 394 -7.517 -7.035 -4.466 1.00 0.00 H new ATOM 0 HG2 PRO A 394 -10.443 -6.563 -3.949 1.00 0.00 H new ATOM 0 HG3 PRO A 394 -9.345 -7.663 -3.139 1.00 0.00 H new ATOM 0 HD2 PRO A 394 -10.034 -5.195 -2.114 1.00 0.00 H new ATOM 0 HD3 PRO A 394 -8.531 -6.006 -1.722 1.00 0.00 H new ATOM 241 N ILE A 395 -8.941 -4.379 -6.910 1.00 0.00 N ATOM 242 CA ILE A 395 -9.812 -3.771 -7.903 1.00 0.00 C ATOM 243 C ILE A 395 -10.714 -4.827 -8.528 1.00 0.00 C ATOM 244 O ILE A 395 -10.241 -5.760 -9.177 1.00 0.00 O ATOM 245 CB ILE A 395 -8.992 -3.051 -9.005 1.00 0.00 C ATOM 246 CG1 ILE A 395 -8.446 -1.727 -8.472 1.00 0.00 C ATOM 247 CG2 ILE A 395 -9.825 -2.811 -10.261 1.00 0.00 C ATOM 248 CD1 ILE A 395 -9.523 -0.781 -7.984 1.00 0.00 C ATOM 0 H ILE A 395 -8.136 -4.868 -7.300 1.00 0.00 H new ATOM 0 HA ILE A 395 -10.428 -3.026 -7.399 1.00 0.00 H new ATOM 0 HB ILE A 395 -8.160 -3.700 -9.279 1.00 0.00 H new ATOM 0 HG12 ILE A 395 -7.755 -1.931 -7.654 1.00 0.00 H new ATOM 0 HG13 ILE A 395 -7.872 -1.237 -9.259 1.00 0.00 H new ATOM 0 HG21 ILE A 395 -9.216 -2.305 -11.010 1.00 0.00 H new ATOM 0 HG22 ILE A 395 -10.168 -3.766 -10.658 1.00 0.00 H new ATOM 0 HG23 ILE A 395 -10.686 -2.190 -10.013 1.00 0.00 H new ATOM 0 HD11 ILE A 395 -9.063 0.138 -7.620 1.00 0.00 H new ATOM 0 HD12 ILE A 395 -10.201 -0.547 -8.805 1.00 0.00 H new ATOM 0 HD13 ILE A 395 -10.082 -1.252 -7.175 1.00 0.00 H new ATOM 260 N VAL A 396 -12.007 -4.684 -8.303 1.00 0.00 N ATOM 261 CA VAL A 396 -12.988 -5.607 -8.842 1.00 0.00 C ATOM 262 C VAL A 396 -13.938 -4.852 -9.768 1.00 0.00 C ATOM 263 O VAL A 396 -14.610 -3.906 -9.356 1.00 0.00 O ATOM 264 CB VAL A 396 -13.750 -6.351 -7.709 1.00 0.00 C ATOM 265 CG1 VAL A 396 -13.882 -5.488 -6.464 1.00 0.00 C ATOM 266 CG2 VAL A 396 -15.110 -6.846 -8.174 1.00 0.00 C ATOM 0 H VAL A 396 -12.405 -3.929 -7.745 1.00 0.00 H new ATOM 0 HA VAL A 396 -12.475 -6.374 -9.422 1.00 0.00 H new ATOM 0 HB VAL A 396 -13.154 -7.225 -7.447 1.00 0.00 H new ATOM 0 HG11 VAL A 396 -14.420 -6.041 -5.694 1.00 0.00 H new ATOM 0 HG12 VAL A 396 -12.890 -5.225 -6.097 1.00 0.00 H new ATOM 0 HG13 VAL A 396 -14.431 -4.579 -6.708 1.00 0.00 H new ATOM 0 HG21 VAL A 396 -15.610 -7.360 -7.353 1.00 0.00 H new ATOM 0 HG22 VAL A 396 -15.716 -5.998 -8.494 1.00 0.00 H new ATOM 0 HG23 VAL A 396 -14.981 -7.535 -9.009 1.00 0.00 H new ATOM 276 N MET A 397 -13.972 -5.264 -11.028 1.00 0.00 N ATOM 277 CA MET A 397 -14.793 -4.607 -12.018 1.00 0.00 C ATOM 278 C MET A 397 -16.213 -5.125 -11.965 1.00 0.00 C ATOM 279 O MET A 397 -16.445 -6.316 -11.770 1.00 0.00 O ATOM 280 CB MET A 397 -14.208 -4.813 -13.418 1.00 0.00 C ATOM 281 CG MET A 397 -12.694 -4.681 -13.465 1.00 0.00 C ATOM 282 SD MET A 397 -12.035 -4.737 -15.141 1.00 0.00 S ATOM 283 CE MET A 397 -12.349 -3.059 -15.679 1.00 0.00 C ATOM 0 H MET A 397 -13.435 -6.055 -11.383 1.00 0.00 H new ATOM 0 HA MET A 397 -14.806 -3.540 -11.796 1.00 0.00 H new ATOM 0 HB2 MET A 397 -14.491 -5.802 -13.780 1.00 0.00 H new ATOM 0 HB3 MET A 397 -14.650 -4.086 -14.099 1.00 0.00 H new ATOM 0 HG2 MET A 397 -12.402 -3.741 -12.997 1.00 0.00 H new ATOM 0 HG3 MET A 397 -12.246 -5.482 -12.877 1.00 0.00 H new ATOM 0 HE1 MET A 397 -12.720 -3.069 -16.704 1.00 0.00 H new ATOM 0 HE2 MET A 397 -13.094 -2.601 -15.028 1.00 0.00 H new ATOM 0 HE3 MET A 397 -11.425 -2.483 -15.633 1.00 0.00 H new ATOM 293 N VAL A 398 -17.148 -4.208 -12.103 1.00 0.00 N ATOM 294 CA VAL A 398 -18.557 -4.529 -12.097 1.00 0.00 C ATOM 295 C VAL A 398 -19.214 -3.904 -13.316 1.00 0.00 C ATOM 296 O VAL A 398 -19.206 -2.677 -13.475 1.00 0.00 O ATOM 297 CB VAL A 398 -19.251 -4.026 -10.826 1.00 0.00 C ATOM 298 CG1 VAL A 398 -20.741 -4.277 -10.920 1.00 0.00 C ATOM 299 CG2 VAL A 398 -18.672 -4.700 -9.593 1.00 0.00 C ATOM 0 H VAL A 398 -16.949 -3.215 -12.223 1.00 0.00 H new ATOM 0 HA VAL A 398 -18.658 -5.614 -12.122 1.00 0.00 H new ATOM 0 HB VAL A 398 -19.079 -2.954 -10.735 1.00 0.00 H new ATOM 0 HG11 VAL A 398 -21.228 -3.917 -10.014 1.00 0.00 H new ATOM 0 HG12 VAL A 398 -21.145 -3.749 -11.784 1.00 0.00 H new ATOM 0 HG13 VAL A 398 -20.924 -5.346 -11.030 1.00 0.00 H new ATOM 0 HG21 VAL A 398 -19.179 -4.328 -8.703 1.00 0.00 H new ATOM 0 HG22 VAL A 398 -18.814 -5.778 -9.667 1.00 0.00 H new ATOM 0 HG23 VAL A 398 -17.607 -4.478 -9.523 1.00 0.00 H new ATOM 309 N ALA A 399 -19.767 -4.754 -14.171 1.00 0.00 N ATOM 310 CA ALA A 399 -20.403 -4.333 -15.407 1.00 0.00 C ATOM 311 C ALA A 399 -19.357 -3.702 -16.319 1.00 0.00 C ATOM 312 O ALA A 399 -19.666 -2.839 -17.142 1.00 0.00 O ATOM 313 CB ALA A 399 -21.559 -3.376 -15.139 1.00 0.00 C ATOM 0 H ALA A 399 -19.786 -5.763 -14.023 1.00 0.00 H new ATOM 0 HA ALA A 399 -20.827 -5.205 -15.904 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -22.013 -3.080 -16.085 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -22.305 -3.871 -14.518 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -21.187 -2.491 -14.623 1.00 0.00 H new ATOM 319 N GLY A 400 -18.104 -4.130 -16.144 1.00 0.00 N ATOM 320 CA GLY A 400 -17.020 -3.604 -16.951 1.00 0.00 C ATOM 321 C GLY A 400 -16.409 -2.359 -16.343 1.00 0.00 C ATOM 322 O GLY A 400 -15.350 -1.900 -16.770 1.00 0.00 O ATOM 0 H GLY A 400 -17.825 -4.831 -15.457 1.00 0.00 H new ATOM 0 HA2 GLY A 400 -16.250 -4.367 -17.064 1.00 0.00 H new ATOM 0 HA3 GLY A 400 -17.391 -3.375 -17.950 1.00 0.00 H new ATOM 326 N ARG A 401 -17.078 -1.812 -15.339 1.00 0.00 N ATOM 327 CA ARG A 401 -16.602 -0.616 -14.661 1.00 0.00 C ATOM 328 C ARG A 401 -15.667 -1.011 -13.527 1.00 0.00 C ATOM 329 O ARG A 401 -16.057 -1.753 -12.626 1.00 0.00 O ATOM 330 CB ARG A 401 -17.783 0.191 -14.116 1.00 0.00 C ATOM 331 CG ARG A 401 -18.836 0.519 -15.163 1.00 0.00 C ATOM 332 CD ARG A 401 -20.185 0.800 -14.520 1.00 0.00 C ATOM 333 NE ARG A 401 -20.673 -0.351 -13.759 1.00 0.00 N ATOM 334 CZ ARG A 401 -21.863 -0.408 -13.158 1.00 0.00 C ATOM 335 NH1 ARG A 401 -22.703 0.618 -13.227 1.00 0.00 N ATOM 336 NH2 ARG A 401 -22.219 -1.501 -12.497 1.00 0.00 N ATOM 0 H ARG A 401 -17.957 -2.180 -14.974 1.00 0.00 H new ATOM 0 HA ARG A 401 -16.059 0.006 -15.373 1.00 0.00 H new ATOM 0 HB2 ARG A 401 -18.251 -0.369 -13.306 1.00 0.00 H new ATOM 0 HB3 ARG A 401 -17.409 1.120 -13.686 1.00 0.00 H new ATOM 0 HG2 ARG A 401 -18.519 1.386 -15.742 1.00 0.00 H new ATOM 0 HG3 ARG A 401 -18.930 -0.313 -15.861 1.00 0.00 H new ATOM 0 HD2 ARG A 401 -20.101 1.663 -13.860 1.00 0.00 H new ATOM 0 HD3 ARG A 401 -20.909 1.059 -15.292 1.00 0.00 H new ATOM 0 HE ARG A 401 -20.062 -1.164 -13.683 1.00 0.00 H new ATOM 0 HH11 ARG A 401 -22.441 1.458 -13.742 1.00 0.00 H new ATOM 0 HH12 ARG A 401 -23.611 0.566 -12.765 1.00 0.00 H new ATOM 0 HH21 ARG A 401 -21.583 -2.297 -12.448 1.00 0.00 H new ATOM 0 HH22 ARG A 401 -23.128 -1.545 -12.037 1.00 0.00 H new ATOM 350 N PRO A 402 -14.417 -0.534 -13.559 1.00 0.00 N ATOM 351 CA PRO A 402 -13.428 -0.864 -12.535 1.00 0.00 C ATOM 352 C PRO A 402 -13.721 -0.215 -11.188 1.00 0.00 C ATOM 353 O PRO A 402 -13.520 0.985 -11.000 1.00 0.00 O ATOM 354 CB PRO A 402 -12.115 -0.334 -13.115 1.00 0.00 C ATOM 355 CG PRO A 402 -12.519 0.753 -14.050 1.00 0.00 C ATOM 356 CD PRO A 402 -13.871 0.369 -14.589 1.00 0.00 C ATOM 0 HA PRO A 402 -13.416 -1.934 -12.325 1.00 0.00 H new ATOM 0 HB2 PRO A 402 -11.460 0.044 -12.330 1.00 0.00 H new ATOM 0 HB3 PRO A 402 -11.568 -1.120 -13.636 1.00 0.00 H new ATOM 0 HG2 PRO A 402 -12.565 1.712 -13.534 1.00 0.00 H new ATOM 0 HG3 PRO A 402 -11.795 0.860 -14.858 1.00 0.00 H new ATOM 0 HD2 PRO A 402 -14.507 1.242 -14.733 1.00 0.00 H new ATOM 0 HD3 PRO A 402 -13.790 -0.129 -15.555 1.00 0.00 H new ATOM 364 N PHE A 403 -14.207 -1.018 -10.261 1.00 0.00 N ATOM 365 CA PHE A 403 -14.512 -0.551 -8.925 1.00 0.00 C ATOM 366 C PHE A 403 -13.527 -1.163 -7.950 1.00 0.00 C ATOM 367 O PHE A 403 -12.742 -2.034 -8.315 1.00 0.00 O ATOM 368 CB PHE A 403 -15.939 -0.939 -8.526 1.00 0.00 C ATOM 369 CG PHE A 403 -17.001 -0.141 -9.224 1.00 0.00 C ATOM 370 CD1 PHE A 403 -17.155 1.211 -8.963 1.00 0.00 C ATOM 371 CD2 PHE A 403 -17.844 -0.745 -10.141 1.00 0.00 C ATOM 372 CE1 PHE A 403 -18.133 1.947 -9.606 1.00 0.00 C ATOM 373 CE2 PHE A 403 -18.823 -0.015 -10.787 1.00 0.00 C ATOM 374 CZ PHE A 403 -18.968 1.332 -10.519 1.00 0.00 C ATOM 0 H PHE A 403 -14.400 -2.008 -10.413 1.00 0.00 H new ATOM 0 HA PHE A 403 -14.433 0.536 -8.904 1.00 0.00 H new ATOM 0 HB2 PHE A 403 -16.092 -1.997 -8.741 1.00 0.00 H new ATOM 0 HB3 PHE A 403 -16.052 -0.813 -7.449 1.00 0.00 H new ATOM 0 HD1 PHE A 403 -16.504 1.695 -8.250 1.00 0.00 H new ATOM 0 HD2 PHE A 403 -17.735 -1.798 -10.354 1.00 0.00 H new ATOM 0 HE1 PHE A 403 -18.244 3.000 -9.395 1.00 0.00 H new ATOM 0 HE2 PHE A 403 -19.474 -0.497 -11.501 1.00 0.00 H new ATOM 0 HZ PHE A 403 -19.733 1.904 -11.023 1.00 0.00 H new ATOM 384 N SER A 404 -13.547 -0.699 -6.727 1.00 0.00 N ATOM 385 CA SER A 404 -12.671 -1.241 -5.714 1.00 0.00 C ATOM 386 C SER A 404 -13.482 -2.167 -4.820 1.00 0.00 C ATOM 387 O SER A 404 -14.709 -2.134 -4.845 1.00 0.00 O ATOM 388 CB SER A 404 -12.038 -0.109 -4.917 1.00 0.00 C ATOM 389 OG SER A 404 -11.747 0.992 -5.764 1.00 0.00 O ATOM 0 H SER A 404 -14.158 0.052 -6.406 1.00 0.00 H new ATOM 0 HA SER A 404 -11.863 -1.811 -6.172 1.00 0.00 H new ATOM 0 HB2 SER A 404 -12.713 0.205 -4.121 1.00 0.00 H new ATOM 0 HB3 SER A 404 -11.123 -0.460 -4.439 1.00 0.00 H new ATOM 0 HG SER A 404 -11.342 1.712 -5.237 1.00 0.00 H new ATOM 395 N TYR A 405 -12.815 -2.995 -4.048 1.00 0.00 N ATOM 396 CA TYR A 405 -13.500 -3.922 -3.169 1.00 0.00 C ATOM 397 C TYR A 405 -14.267 -3.158 -2.105 1.00 0.00 C ATOM 398 O TYR A 405 -15.396 -3.510 -1.788 1.00 0.00 O ATOM 399 CB TYR A 405 -12.520 -4.903 -2.532 1.00 0.00 C ATOM 400 CG TYR A 405 -13.201 -6.091 -1.892 1.00 0.00 C ATOM 401 CD1 TYR A 405 -13.694 -6.026 -0.593 1.00 0.00 C ATOM 402 CD2 TYR A 405 -13.364 -7.276 -2.596 1.00 0.00 C ATOM 403 CE1 TYR A 405 -14.330 -7.108 -0.017 1.00 0.00 C ATOM 404 CE2 TYR A 405 -13.995 -8.361 -2.026 1.00 0.00 C ATOM 405 CZ TYR A 405 -14.478 -8.272 -0.737 1.00 0.00 C ATOM 406 OH TYR A 405 -15.114 -9.351 -0.171 1.00 0.00 O ATOM 0 H TYR A 405 -11.797 -3.047 -4.009 1.00 0.00 H new ATOM 0 HA TYR A 405 -14.207 -4.502 -3.763 1.00 0.00 H new ATOM 0 HB2 TYR A 405 -11.824 -5.257 -3.292 1.00 0.00 H new ATOM 0 HB3 TYR A 405 -11.930 -4.381 -1.779 1.00 0.00 H new ATOM 0 HD1 TYR A 405 -13.577 -5.114 -0.026 1.00 0.00 H new ATOM 0 HD2 TYR A 405 -12.990 -7.349 -3.607 1.00 0.00 H new ATOM 0 HE1 TYR A 405 -14.709 -7.041 0.992 1.00 0.00 H new ATOM 0 HE2 TYR A 405 -14.111 -9.277 -2.586 1.00 0.00 H new ATOM 0 HH TYR A 405 -15.240 -9.191 0.788 1.00 0.00 H new ATOM 416 N SER A 406 -13.664 -2.098 -1.572 1.00 0.00 N ATOM 417 CA SER A 406 -14.322 -1.266 -0.567 1.00 0.00 C ATOM 418 C SER A 406 -15.572 -0.622 -1.165 1.00 0.00 C ATOM 419 O SER A 406 -16.454 -0.150 -0.453 1.00 0.00 O ATOM 420 CB SER A 406 -13.363 -0.195 -0.042 1.00 0.00 C ATOM 421 OG SER A 406 -12.363 -0.768 0.785 1.00 0.00 O ATOM 0 H SER A 406 -12.722 -1.795 -1.819 1.00 0.00 H new ATOM 0 HA SER A 406 -14.617 -1.895 0.273 1.00 0.00 H new ATOM 0 HB2 SER A 406 -12.895 0.321 -0.880 1.00 0.00 H new ATOM 0 HB3 SER A 406 -13.921 0.553 0.521 1.00 0.00 H new ATOM 0 HG SER A 406 -12.115 -1.649 0.436 1.00 0.00 H new ATOM 427 N GLU A 407 -15.637 -0.640 -2.486 1.00 0.00 N ATOM 428 CA GLU A 407 -16.761 -0.108 -3.224 1.00 0.00 C ATOM 429 C GLU A 407 -17.794 -1.197 -3.432 1.00 0.00 C ATOM 430 O GLU A 407 -18.918 -1.110 -2.957 1.00 0.00 O ATOM 431 CB GLU A 407 -16.288 0.434 -4.573 1.00 0.00 C ATOM 432 CG GLU A 407 -15.942 1.910 -4.566 1.00 0.00 C ATOM 433 CD GLU A 407 -17.183 2.782 -4.646 1.00 0.00 C ATOM 434 OE1 GLU A 407 -17.938 2.662 -5.640 1.00 0.00 O ATOM 435 OE2 GLU A 407 -17.413 3.575 -3.717 1.00 0.00 O ATOM 0 H GLU A 407 -14.903 -1.029 -3.078 1.00 0.00 H new ATOM 0 HA GLU A 407 -17.212 0.707 -2.657 1.00 0.00 H new ATOM 0 HB2 GLU A 407 -15.412 -0.131 -4.891 1.00 0.00 H new ATOM 0 HB3 GLU A 407 -17.067 0.259 -5.315 1.00 0.00 H new ATOM 0 HG2 GLU A 407 -15.388 2.149 -3.658 1.00 0.00 H new ATOM 0 HG3 GLU A 407 -15.286 2.133 -5.408 1.00 0.00 H new ATOM 442 N VAL A 408 -17.372 -2.248 -4.106 1.00 0.00 N ATOM 443 CA VAL A 408 -18.236 -3.373 -4.419 1.00 0.00 C ATOM 444 C VAL A 408 -18.811 -4.039 -3.162 1.00 0.00 C ATOM 445 O VAL A 408 -19.942 -4.513 -3.167 1.00 0.00 O ATOM 446 CB VAL A 408 -17.471 -4.432 -5.238 1.00 0.00 C ATOM 447 CG1 VAL A 408 -18.413 -5.499 -5.736 1.00 0.00 C ATOM 448 CG2 VAL A 408 -16.735 -3.800 -6.407 1.00 0.00 C ATOM 0 H VAL A 408 -16.418 -2.348 -4.454 1.00 0.00 H new ATOM 0 HA VAL A 408 -19.065 -2.972 -5.002 1.00 0.00 H new ATOM 0 HB VAL A 408 -16.733 -4.890 -4.579 1.00 0.00 H new ATOM 0 HG11 VAL A 408 -17.855 -6.237 -6.312 1.00 0.00 H new ATOM 0 HG12 VAL A 408 -18.891 -5.987 -4.887 1.00 0.00 H new ATOM 0 HG13 VAL A 408 -19.175 -5.045 -6.370 1.00 0.00 H new ATOM 0 HG21 VAL A 408 -16.206 -4.573 -6.964 1.00 0.00 H new ATOM 0 HG22 VAL A 408 -17.451 -3.305 -7.063 1.00 0.00 H new ATOM 0 HG23 VAL A 408 -16.019 -3.068 -6.033 1.00 0.00 H new ATOM 458 N SER A 409 -18.044 -4.048 -2.082 1.00 0.00 N ATOM 459 CA SER A 409 -18.487 -4.696 -0.847 1.00 0.00 C ATOM 460 C SER A 409 -19.505 -3.856 -0.090 1.00 0.00 C ATOM 461 O SER A 409 -20.427 -4.390 0.521 1.00 0.00 O ATOM 462 CB SER A 409 -17.296 -4.990 0.070 1.00 0.00 C ATOM 463 OG SER A 409 -16.656 -3.794 0.482 1.00 0.00 O ATOM 0 H SER A 409 -17.120 -3.620 -2.031 1.00 0.00 H new ATOM 0 HA SER A 409 -18.966 -5.630 -1.141 1.00 0.00 H new ATOM 0 HB2 SER A 409 -17.636 -5.543 0.945 1.00 0.00 H new ATOM 0 HB3 SER A 409 -16.581 -5.627 -0.451 1.00 0.00 H new ATOM 0 HG SER A 409 -16.073 -3.471 -0.236 1.00 0.00 H new ATOM 469 N GLN A 410 -19.336 -2.546 -0.138 1.00 0.00 N ATOM 470 CA GLN A 410 -20.224 -1.646 0.579 1.00 0.00 C ATOM 471 C GLN A 410 -21.386 -1.197 -0.295 1.00 0.00 C ATOM 472 O GLN A 410 -22.279 -0.486 0.166 1.00 0.00 O ATOM 473 CB GLN A 410 -19.450 -0.424 1.075 1.00 0.00 C ATOM 474 CG GLN A 410 -18.310 -0.747 2.036 1.00 0.00 C ATOM 475 CD GLN A 410 -18.689 -1.763 3.098 1.00 0.00 C ATOM 476 OE1 GLN A 410 -19.290 -1.422 4.114 1.00 0.00 O ATOM 477 NE2 GLN A 410 -18.312 -3.014 2.883 1.00 0.00 N ATOM 0 H GLN A 410 -18.595 -2.083 -0.664 1.00 0.00 H new ATOM 0 HA GLN A 410 -20.629 -2.191 1.432 1.00 0.00 H new ATOM 0 HB2 GLN A 410 -19.044 0.107 0.214 1.00 0.00 H new ATOM 0 HB3 GLN A 410 -20.145 0.255 1.570 1.00 0.00 H new ATOM 0 HG2 GLN A 410 -17.461 -1.126 1.467 1.00 0.00 H new ATOM 0 HG3 GLN A 410 -17.983 0.172 2.523 1.00 0.00 H new ATOM 0 HE21 GLN A 410 -17.815 -3.257 2.026 1.00 0.00 H new ATOM 0 HE22 GLN A 410 -18.519 -3.735 3.574 1.00 0.00 H new ATOM 486 N ARG A 411 -21.382 -1.613 -1.551 1.00 0.00 N ATOM 487 CA ARG A 411 -22.434 -1.221 -2.472 1.00 0.00 C ATOM 488 C ARG A 411 -23.191 -2.422 -3.022 1.00 0.00 C ATOM 489 O ARG A 411 -22.722 -3.128 -3.932 1.00 0.00 O ATOM 490 CB ARG A 411 -21.855 -0.400 -3.611 1.00 0.00 C ATOM 491 CG ARG A 411 -21.187 0.877 -3.144 1.00 0.00 C ATOM 492 CD ARG A 411 -20.690 1.683 -4.318 1.00 0.00 C ATOM 493 NE ARG A 411 -21.797 2.225 -5.095 1.00 0.00 N ATOM 494 CZ ARG A 411 -21.654 3.086 -6.090 1.00 0.00 C ATOM 495 NH1 ARG A 411 -20.439 3.502 -6.450 1.00 0.00 N ATOM 496 NH2 ARG A 411 -22.734 3.522 -6.727 1.00 0.00 N ATOM 0 H ARG A 411 -20.666 -2.218 -1.953 1.00 0.00 H new ATOM 0 HA ARG A 411 -23.147 -0.614 -1.913 1.00 0.00 H new ATOM 0 HB2 ARG A 411 -21.129 -1.005 -4.154 1.00 0.00 H new ATOM 0 HB3 ARG A 411 -22.651 -0.151 -4.313 1.00 0.00 H new ATOM 0 HG2 ARG A 411 -21.893 1.470 -2.563 1.00 0.00 H new ATOM 0 HG3 ARG A 411 -20.354 0.636 -2.484 1.00 0.00 H new ATOM 0 HD2 ARG A 411 -20.060 2.498 -3.962 1.00 0.00 H new ATOM 0 HD3 ARG A 411 -20.068 1.055 -4.956 1.00 0.00 H new ATOM 0 HE ARG A 411 -22.741 1.922 -4.857 1.00 0.00 H new ATOM 0 HH11 ARG A 411 -19.615 3.157 -5.958 1.00 0.00 H new ATOM 0 HH12 ARG A 411 -20.334 4.166 -7.217 1.00 0.00 H new ATOM 0 HH21 ARG A 411 -23.658 3.193 -6.448 1.00 0.00 H new ATOM 0 HH22 ARG A 411 -22.640 4.186 -7.496 1.00 0.00 H new ATOM 510 N PRO A 412 -24.391 -2.657 -2.479 1.00 0.00 N ATOM 511 CA PRO A 412 -25.250 -3.755 -2.904 1.00 0.00 C ATOM 512 C PRO A 412 -25.643 -3.626 -4.369 1.00 0.00 C ATOM 513 O PRO A 412 -25.925 -4.624 -5.023 1.00 0.00 O ATOM 514 CB PRO A 412 -26.486 -3.632 -2.005 1.00 0.00 C ATOM 515 CG PRO A 412 -26.050 -2.793 -0.854 1.00 0.00 C ATOM 516 CD PRO A 412 -25.001 -1.868 -1.396 1.00 0.00 C ATOM 0 HA PRO A 412 -24.751 -4.720 -2.815 1.00 0.00 H new ATOM 0 HB2 PRO A 412 -27.316 -3.168 -2.538 1.00 0.00 H new ATOM 0 HB3 PRO A 412 -26.829 -4.611 -1.671 1.00 0.00 H new ATOM 0 HG2 PRO A 412 -26.888 -2.233 -0.439 1.00 0.00 H new ATOM 0 HG3 PRO A 412 -25.649 -3.410 -0.050 1.00 0.00 H new ATOM 0 HD2 PRO A 412 -25.435 -0.940 -1.768 1.00 0.00 H new ATOM 0 HD3 PRO A 412 -24.270 -1.596 -0.634 1.00 0.00 H new ATOM 524 N GLU A 413 -25.631 -2.396 -4.890 1.00 0.00 N ATOM 525 CA GLU A 413 -25.996 -2.152 -6.280 1.00 0.00 C ATOM 526 C GLU A 413 -24.925 -2.711 -7.191 1.00 0.00 C ATOM 527 O GLU A 413 -25.213 -3.230 -8.261 1.00 0.00 O ATOM 528 CB GLU A 413 -26.127 -0.661 -6.582 1.00 0.00 C ATOM 529 CG GLU A 413 -26.539 0.181 -5.399 1.00 0.00 C ATOM 530 CD GLU A 413 -25.336 0.833 -4.747 1.00 0.00 C ATOM 531 OE1 GLU A 413 -24.764 1.779 -5.343 1.00 0.00 O ATOM 532 OE2 GLU A 413 -24.936 0.373 -3.665 1.00 0.00 O ATOM 0 H GLU A 413 -25.373 -1.558 -4.368 1.00 0.00 H new ATOM 0 HA GLU A 413 -26.958 -2.637 -6.449 1.00 0.00 H new ATOM 0 HB2 GLU A 413 -25.172 -0.294 -6.959 1.00 0.00 H new ATOM 0 HB3 GLU A 413 -26.858 -0.527 -7.380 1.00 0.00 H new ATOM 0 HG2 GLU A 413 -27.242 0.949 -5.723 1.00 0.00 H new ATOM 0 HG3 GLU A 413 -27.059 -0.440 -4.670 1.00 0.00 H new ATOM 539 N LEU A 414 -23.681 -2.596 -6.752 1.00 0.00 N ATOM 540 CA LEU A 414 -22.562 -3.081 -7.532 1.00 0.00 C ATOM 541 C LEU A 414 -22.632 -4.587 -7.660 1.00 0.00 C ATOM 542 O LEU A 414 -22.560 -5.120 -8.753 1.00 0.00 O ATOM 543 CB LEU A 414 -21.234 -2.653 -6.912 1.00 0.00 C ATOM 544 CG LEU A 414 -20.946 -1.151 -6.983 1.00 0.00 C ATOM 545 CD1 LEU A 414 -19.463 -0.890 -6.801 1.00 0.00 C ATOM 546 CD2 LEU A 414 -21.432 -0.569 -8.303 1.00 0.00 C ATOM 0 H LEU A 414 -23.425 -2.171 -5.861 1.00 0.00 H new ATOM 0 HA LEU A 414 -22.621 -2.641 -8.528 1.00 0.00 H new ATOM 0 HB2 LEU A 414 -21.221 -2.962 -5.867 1.00 0.00 H new ATOM 0 HB3 LEU A 414 -20.427 -3.187 -7.413 1.00 0.00 H new ATOM 0 HG LEU A 414 -21.488 -0.659 -6.175 1.00 0.00 H new ATOM 0 HD11 LEU A 414 -19.273 0.182 -6.854 1.00 0.00 H new ATOM 0 HD12 LEU A 414 -19.144 -1.268 -5.830 1.00 0.00 H new ATOM 0 HD13 LEU A 414 -18.905 -1.397 -7.589 1.00 0.00 H new ATOM 0 HD21 LEU A 414 -21.217 0.499 -8.331 1.00 0.00 H new ATOM 0 HD22 LEU A 414 -20.921 -1.064 -9.129 1.00 0.00 H new ATOM 0 HD23 LEU A 414 -22.507 -0.725 -8.396 1.00 0.00 H new ATOM 558 N VAL A 415 -22.827 -5.272 -6.548 1.00 0.00 N ATOM 559 CA VAL A 415 -22.914 -6.729 -6.580 1.00 0.00 C ATOM 560 C VAL A 415 -24.231 -7.160 -7.239 1.00 0.00 C ATOM 561 O VAL A 415 -24.385 -8.302 -7.687 1.00 0.00 O ATOM 562 CB VAL A 415 -22.773 -7.320 -5.156 1.00 0.00 C ATOM 563 CG1 VAL A 415 -22.845 -8.841 -5.162 1.00 0.00 C ATOM 564 CG2 VAL A 415 -21.463 -6.862 -4.535 1.00 0.00 C ATOM 0 H VAL A 415 -22.927 -4.855 -5.622 1.00 0.00 H new ATOM 0 HA VAL A 415 -22.090 -7.120 -7.177 1.00 0.00 H new ATOM 0 HB VAL A 415 -23.609 -6.955 -4.560 1.00 0.00 H new ATOM 0 HG11 VAL A 415 -22.742 -9.214 -4.143 1.00 0.00 H new ATOM 0 HG12 VAL A 415 -23.805 -9.158 -5.569 1.00 0.00 H new ATOM 0 HG13 VAL A 415 -22.040 -9.241 -5.778 1.00 0.00 H new ATOM 0 HG21 VAL A 415 -21.369 -7.281 -3.533 1.00 0.00 H new ATOM 0 HG22 VAL A 415 -20.630 -7.203 -5.150 1.00 0.00 H new ATOM 0 HG23 VAL A 415 -21.449 -5.774 -4.476 1.00 0.00 H new ATOM 574 N ALA A 416 -25.159 -6.217 -7.326 1.00 0.00 N ATOM 575 CA ALA A 416 -26.457 -6.448 -7.946 1.00 0.00 C ATOM 576 C ALA A 416 -26.376 -6.248 -9.455 1.00 0.00 C ATOM 577 O ALA A 416 -27.195 -6.771 -10.205 1.00 0.00 O ATOM 578 CB ALA A 416 -27.486 -5.499 -7.360 1.00 0.00 C ATOM 0 H ALA A 416 -25.033 -5.270 -6.969 1.00 0.00 H new ATOM 0 HA ALA A 416 -26.756 -7.477 -7.746 1.00 0.00 H new ATOM 0 HB1 ALA A 416 -28.454 -5.678 -7.828 1.00 0.00 H new ATOM 0 HB2 ALA A 416 -27.566 -5.667 -6.286 1.00 0.00 H new ATOM 0 HB3 ALA A 416 -27.178 -4.470 -7.544 1.00 0.00 H new ATOM 584 N GLN A 417 -25.374 -5.495 -9.888 1.00 0.00 N ATOM 585 CA GLN A 417 -25.182 -5.207 -11.299 1.00 0.00 C ATOM 586 C GLN A 417 -23.994 -5.987 -11.803 1.00 0.00 C ATOM 587 O GLN A 417 -23.672 -5.965 -12.990 1.00 0.00 O ATOM 588 CB GLN A 417 -24.942 -3.712 -11.520 1.00 0.00 C ATOM 589 CG GLN A 417 -26.155 -2.841 -11.240 1.00 0.00 C ATOM 590 CD GLN A 417 -25.787 -1.385 -11.031 1.00 0.00 C ATOM 591 OE1 GLN A 417 -24.806 -0.887 -11.590 1.00 0.00 O ATOM 592 NE2 GLN A 417 -26.568 -0.692 -10.217 1.00 0.00 N ATOM 0 H GLN A 417 -24.678 -5.071 -9.275 1.00 0.00 H new ATOM 0 HA GLN A 417 -26.081 -5.496 -11.844 1.00 0.00 H new ATOM 0 HB2 GLN A 417 -24.120 -3.388 -10.881 1.00 0.00 H new ATOM 0 HB3 GLN A 417 -24.625 -3.554 -12.551 1.00 0.00 H new ATOM 0 HG2 GLN A 417 -26.855 -2.920 -12.072 1.00 0.00 H new ATOM 0 HG3 GLN A 417 -26.669 -3.213 -10.354 1.00 0.00 H new ATOM 0 HE21 GLN A 417 -27.370 -1.141 -9.774 1.00 0.00 H new ATOM 0 HE22 GLN A 417 -26.368 0.291 -10.032 1.00 0.00 H new ATOM 601 N MET A 418 -23.338 -6.669 -10.880 1.00 0.00 N ATOM 602 CA MET A 418 -22.187 -7.458 -11.211 1.00 0.00 C ATOM 603 C MET A 418 -22.653 -8.818 -11.673 1.00 0.00 C ATOM 604 O MET A 418 -23.537 -9.442 -11.068 1.00 0.00 O ATOM 605 CB MET A 418 -21.227 -7.549 -10.019 1.00 0.00 C ATOM 606 CG MET A 418 -21.210 -8.885 -9.308 1.00 0.00 C ATOM 607 SD MET A 418 -20.465 -8.780 -7.674 1.00 0.00 S ATOM 608 CE MET A 418 -18.906 -7.998 -8.077 1.00 0.00 C ATOM 0 H MET A 418 -23.593 -6.685 -9.892 1.00 0.00 H new ATOM 0 HA MET A 418 -21.629 -6.986 -12.020 1.00 0.00 H new ATOM 0 HB2 MET A 418 -20.218 -7.328 -10.367 1.00 0.00 H new ATOM 0 HB3 MET A 418 -21.493 -6.775 -9.299 1.00 0.00 H new ATOM 0 HG2 MET A 418 -22.230 -9.258 -9.216 1.00 0.00 H new ATOM 0 HG3 MET A 418 -20.659 -9.607 -9.910 1.00 0.00 H new ATOM 0 HE1 MET A 418 -18.166 -8.250 -7.318 1.00 0.00 H new ATOM 0 HE2 MET A 418 -18.563 -8.351 -9.049 1.00 0.00 H new ATOM 0 HE3 MET A 418 -19.039 -6.917 -8.110 1.00 0.00 H new ATOM 618 N THR A 419 -22.061 -9.255 -12.744 1.00 0.00 N ATOM 619 CA THR A 419 -22.406 -10.530 -13.354 1.00 0.00 C ATOM 620 C THR A 419 -21.894 -11.677 -12.494 1.00 0.00 C ATOM 621 O THR A 419 -21.146 -11.442 -11.548 1.00 0.00 O ATOM 622 CB THR A 419 -21.809 -10.648 -14.773 1.00 0.00 C ATOM 623 OG1 THR A 419 -20.379 -10.688 -14.707 1.00 0.00 O ATOM 624 CG2 THR A 419 -22.248 -9.481 -15.647 1.00 0.00 C ATOM 0 H THR A 419 -21.322 -8.746 -13.230 1.00 0.00 H new ATOM 0 HA THR A 419 -23.492 -10.583 -13.428 1.00 0.00 H new ATOM 0 HB THR A 419 -22.176 -11.573 -15.217 1.00 0.00 H new ATOM 0 HG1 THR A 419 -20.028 -11.156 -15.493 1.00 0.00 H new ATOM 0 HG21 THR A 419 -21.814 -9.588 -16.641 1.00 0.00 H new ATOM 0 HG22 THR A 419 -23.335 -9.473 -15.724 1.00 0.00 H new ATOM 0 HG23 THR A 419 -21.909 -8.545 -15.202 1.00 0.00 H new ATOM 632 N PRO A 420 -22.328 -12.923 -12.759 1.00 0.00 N ATOM 633 CA PRO A 420 -21.843 -14.085 -12.012 1.00 0.00 C ATOM 634 C PRO A 420 -20.320 -14.113 -12.015 1.00 0.00 C ATOM 635 O PRO A 420 -19.686 -14.288 -10.978 1.00 0.00 O ATOM 636 CB PRO A 420 -22.418 -15.273 -12.784 1.00 0.00 C ATOM 637 CG PRO A 420 -23.639 -14.733 -13.445 1.00 0.00 C ATOM 638 CD PRO A 420 -23.328 -13.299 -13.776 1.00 0.00 C ATOM 0 HA PRO A 420 -22.144 -14.083 -10.964 1.00 0.00 H new ATOM 0 HB2 PRO A 420 -21.705 -15.653 -13.516 1.00 0.00 H new ATOM 0 HB3 PRO A 420 -22.661 -16.100 -12.117 1.00 0.00 H new ATOM 0 HG2 PRO A 420 -23.878 -15.299 -14.345 1.00 0.00 H new ATOM 0 HG3 PRO A 420 -24.504 -14.803 -12.785 1.00 0.00 H new ATOM 0 HD2 PRO A 420 -22.932 -13.197 -14.786 1.00 0.00 H new ATOM 0 HD3 PRO A 420 -24.217 -12.671 -13.717 1.00 0.00 H new ATOM 646 N GLU A 421 -19.743 -13.878 -13.190 1.00 0.00 N ATOM 647 CA GLU A 421 -18.294 -13.848 -13.346 1.00 0.00 C ATOM 648 C GLU A 421 -17.682 -12.822 -12.400 1.00 0.00 C ATOM 649 O GLU A 421 -16.721 -13.117 -11.692 1.00 0.00 O ATOM 650 CB GLU A 421 -17.900 -13.498 -14.786 1.00 0.00 C ATOM 651 CG GLU A 421 -18.719 -14.205 -15.853 1.00 0.00 C ATOM 652 CD GLU A 421 -20.023 -13.493 -16.139 1.00 0.00 C ATOM 653 OE1 GLU A 421 -19.987 -12.409 -16.752 1.00 0.00 O ATOM 654 OE2 GLU A 421 -21.078 -13.999 -15.715 1.00 0.00 O ATOM 0 H GLU A 421 -20.261 -13.705 -14.052 1.00 0.00 H new ATOM 0 HA GLU A 421 -17.915 -14.842 -13.108 1.00 0.00 H new ATOM 0 HB2 GLU A 421 -17.998 -12.421 -14.925 1.00 0.00 H new ATOM 0 HB3 GLU A 421 -16.848 -13.744 -14.931 1.00 0.00 H new ATOM 0 HG2 GLU A 421 -18.135 -14.273 -16.771 1.00 0.00 H new ATOM 0 HG3 GLU A 421 -18.927 -15.226 -15.532 1.00 0.00 H new ATOM 661 N GLU A 422 -18.254 -11.619 -12.385 1.00 0.00 N ATOM 662 CA GLU A 422 -17.772 -10.545 -11.537 1.00 0.00 C ATOM 663 C GLU A 422 -18.031 -10.852 -10.065 1.00 0.00 C ATOM 664 O GLU A 422 -17.184 -10.598 -9.211 1.00 0.00 O ATOM 665 CB GLU A 422 -18.448 -9.249 -11.968 1.00 0.00 C ATOM 666 CG GLU A 422 -18.015 -8.810 -13.355 1.00 0.00 C ATOM 667 CD GLU A 422 -18.725 -7.567 -13.825 1.00 0.00 C ATOM 668 OE1 GLU A 422 -19.893 -7.355 -13.423 1.00 0.00 O ATOM 669 OE2 GLU A 422 -18.119 -6.788 -14.593 1.00 0.00 O ATOM 0 H GLU A 422 -19.059 -11.368 -12.959 1.00 0.00 H new ATOM 0 HA GLU A 422 -16.693 -10.441 -11.648 1.00 0.00 H new ATOM 0 HB2 GLU A 422 -19.530 -9.383 -11.952 1.00 0.00 H new ATOM 0 HB3 GLU A 422 -18.214 -8.463 -11.250 1.00 0.00 H new ATOM 0 HG2 GLU A 422 -16.940 -8.630 -13.354 1.00 0.00 H new ATOM 0 HG3 GLU A 422 -18.202 -9.619 -14.062 1.00 0.00 H new ATOM 676 N LYS A 423 -19.208 -11.388 -9.779 1.00 0.00 N ATOM 677 CA LYS A 423 -19.590 -11.765 -8.421 1.00 0.00 C ATOM 678 C LYS A 423 -18.641 -12.796 -7.848 1.00 0.00 C ATOM 679 O LYS A 423 -18.070 -12.594 -6.778 1.00 0.00 O ATOM 680 CB LYS A 423 -21.006 -12.332 -8.423 1.00 0.00 C ATOM 681 CG LYS A 423 -21.602 -12.502 -7.037 1.00 0.00 C ATOM 682 CD LYS A 423 -23.066 -12.904 -7.109 1.00 0.00 C ATOM 683 CE LYS A 423 -23.980 -11.689 -7.137 1.00 0.00 C ATOM 684 NZ LYS A 423 -23.830 -10.894 -8.390 1.00 0.00 N ATOM 0 H LYS A 423 -19.926 -11.575 -10.479 1.00 0.00 H new ATOM 0 HA LYS A 423 -19.545 -10.871 -7.799 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -21.650 -11.674 -9.006 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -20.999 -13.299 -8.926 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -21.042 -13.259 -6.489 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -21.506 -11.569 -6.481 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -23.235 -13.507 -8.001 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -23.315 -13.528 -6.250 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -25.016 -12.014 -7.038 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -23.762 -11.054 -6.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -24.435 -10.050 -8.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -22.838 -10.603 -8.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -24.112 -11.475 -9.205 1.00 0.00 H new ATOM 698 N GLU A 424 -18.455 -13.878 -8.579 1.00 0.00 N ATOM 699 CA GLU A 424 -17.587 -14.954 -8.137 1.00 0.00 C ATOM 700 C GLU A 424 -16.158 -14.454 -8.053 1.00 0.00 C ATOM 701 O GLU A 424 -15.377 -14.901 -7.214 1.00 0.00 O ATOM 702 CB GLU A 424 -17.701 -16.156 -9.071 1.00 0.00 C ATOM 703 CG GLU A 424 -18.838 -17.102 -8.702 1.00 0.00 C ATOM 704 CD GLU A 424 -20.216 -16.458 -8.790 1.00 0.00 C ATOM 705 OE1 GLU A 424 -20.612 -15.755 -7.832 1.00 0.00 O ATOM 706 OE2 GLU A 424 -20.905 -16.658 -9.813 1.00 0.00 O ATOM 0 H GLU A 424 -18.895 -14.036 -9.485 1.00 0.00 H new ATOM 0 HA GLU A 424 -17.898 -15.281 -7.145 1.00 0.00 H new ATOM 0 HB2 GLU A 424 -17.849 -15.802 -10.091 1.00 0.00 H new ATOM 0 HB3 GLU A 424 -16.761 -16.707 -9.059 1.00 0.00 H new ATOM 0 HG2 GLU A 424 -18.808 -17.969 -9.362 1.00 0.00 H new ATOM 0 HG3 GLU A 424 -18.681 -17.468 -7.688 1.00 0.00 H new ATOM 713 N ALA A 425 -15.830 -13.510 -8.923 1.00 0.00 N ATOM 714 CA ALA A 425 -14.516 -12.902 -8.928 1.00 0.00 C ATOM 715 C ALA A 425 -14.336 -12.106 -7.645 1.00 0.00 C ATOM 716 O ALA A 425 -13.344 -12.264 -6.937 1.00 0.00 O ATOM 717 CB ALA A 425 -14.358 -12.011 -10.145 1.00 0.00 C ATOM 0 H ALA A 425 -16.463 -13.150 -9.637 1.00 0.00 H new ATOM 0 HA ALA A 425 -13.749 -13.675 -8.978 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -13.366 -11.559 -10.139 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -14.480 -12.606 -11.050 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -15.114 -11.227 -10.122 1.00 0.00 H new ATOM 723 N TYR A 426 -15.328 -11.273 -7.341 1.00 0.00 N ATOM 724 CA TYR A 426 -15.323 -10.459 -6.140 1.00 0.00 C ATOM 725 C TYR A 426 -15.270 -11.353 -4.907 1.00 0.00 C ATOM 726 O TYR A 426 -14.523 -11.086 -3.966 1.00 0.00 O ATOM 727 CB TYR A 426 -16.580 -9.578 -6.125 1.00 0.00 C ATOM 728 CG TYR A 426 -17.007 -9.090 -4.757 1.00 0.00 C ATOM 729 CD1 TYR A 426 -17.873 -9.839 -3.972 1.00 0.00 C ATOM 730 CD2 TYR A 426 -16.550 -7.879 -4.256 1.00 0.00 C ATOM 731 CE1 TYR A 426 -18.267 -9.400 -2.726 1.00 0.00 C ATOM 732 CE2 TYR A 426 -16.941 -7.432 -3.009 1.00 0.00 C ATOM 733 CZ TYR A 426 -17.800 -8.198 -2.249 1.00 0.00 C ATOM 734 OH TYR A 426 -18.192 -7.764 -1.005 1.00 0.00 O ATOM 0 H TYR A 426 -16.156 -11.147 -7.924 1.00 0.00 H new ATOM 0 HA TYR A 426 -14.442 -9.817 -6.130 1.00 0.00 H new ATOM 0 HB2 TYR A 426 -16.406 -8.712 -6.764 1.00 0.00 H new ATOM 0 HB3 TYR A 426 -17.403 -10.139 -6.567 1.00 0.00 H new ATOM 0 HD1 TYR A 426 -18.245 -10.782 -4.344 1.00 0.00 H new ATOM 0 HD2 TYR A 426 -15.878 -7.277 -4.850 1.00 0.00 H new ATOM 0 HE1 TYR A 426 -18.939 -9.997 -2.128 1.00 0.00 H new ATOM 0 HE2 TYR A 426 -16.576 -6.488 -2.631 1.00 0.00 H new ATOM 0 HH TYR A 426 -17.404 -7.654 -0.433 1.00 0.00 H new ATOM 744 N ILE A 427 -16.057 -12.422 -4.931 1.00 0.00 N ATOM 745 CA ILE A 427 -16.105 -13.363 -3.825 1.00 0.00 C ATOM 746 C ILE A 427 -14.744 -14.041 -3.645 1.00 0.00 C ATOM 747 O ILE A 427 -14.229 -14.143 -2.529 1.00 0.00 O ATOM 748 CB ILE A 427 -17.211 -14.424 -4.035 1.00 0.00 C ATOM 749 CG1 ILE A 427 -18.591 -13.759 -3.970 1.00 0.00 C ATOM 750 CG2 ILE A 427 -17.105 -15.532 -2.993 1.00 0.00 C ATOM 751 CD1 ILE A 427 -19.721 -14.628 -4.482 1.00 0.00 C ATOM 0 H ILE A 427 -16.672 -12.657 -5.710 1.00 0.00 H new ATOM 0 HA ILE A 427 -16.345 -12.805 -2.920 1.00 0.00 H new ATOM 0 HB ILE A 427 -17.079 -14.873 -5.019 1.00 0.00 H new ATOM 0 HG12 ILE A 427 -18.800 -13.481 -2.937 1.00 0.00 H new ATOM 0 HG13 ILE A 427 -18.565 -12.836 -4.550 1.00 0.00 H new ATOM 0 HG21 ILE A 427 -17.893 -16.266 -3.161 1.00 0.00 H new ATOM 0 HG22 ILE A 427 -16.133 -16.018 -3.076 1.00 0.00 H new ATOM 0 HG23 ILE A 427 -17.213 -15.105 -1.996 1.00 0.00 H new ATOM 0 HD11 ILE A 427 -20.663 -14.085 -4.402 1.00 0.00 H new ATOM 0 HD12 ILE A 427 -19.538 -14.885 -5.525 1.00 0.00 H new ATOM 0 HD13 ILE A 427 -19.777 -15.540 -3.888 1.00 0.00 H new ATOM 763 N ALA A 428 -14.158 -14.482 -4.755 1.00 0.00 N ATOM 764 CA ALA A 428 -12.852 -15.135 -4.731 1.00 0.00 C ATOM 765 C ALA A 428 -11.763 -14.164 -4.279 1.00 0.00 C ATOM 766 O ALA A 428 -10.784 -14.562 -3.645 1.00 0.00 O ATOM 767 CB ALA A 428 -12.521 -15.705 -6.101 1.00 0.00 C ATOM 0 H ALA A 428 -14.568 -14.399 -5.685 1.00 0.00 H new ATOM 0 HA ALA A 428 -12.894 -15.953 -4.012 1.00 0.00 H new ATOM 0 HB1 ALA A 428 -11.545 -16.189 -6.068 1.00 0.00 H new ATOM 0 HB2 ALA A 428 -13.279 -16.436 -6.384 1.00 0.00 H new ATOM 0 HB3 ALA A 428 -12.502 -14.900 -6.835 1.00 0.00 H new ATOM 773 N MET A 429 -11.931 -12.894 -4.622 1.00 0.00 N ATOM 774 CA MET A 429 -10.979 -11.859 -4.239 1.00 0.00 C ATOM 775 C MET A 429 -11.109 -11.565 -2.753 1.00 0.00 C ATOM 776 O MET A 429 -10.113 -11.483 -2.037 1.00 0.00 O ATOM 777 CB MET A 429 -11.220 -10.582 -5.057 1.00 0.00 C ATOM 778 CG MET A 429 -10.764 -10.693 -6.501 1.00 0.00 C ATOM 779 SD MET A 429 -11.389 -9.348 -7.525 1.00 0.00 S ATOM 780 CE MET A 429 -10.967 -7.938 -6.509 1.00 0.00 C ATOM 0 H MET A 429 -12.723 -12.554 -5.168 1.00 0.00 H new ATOM 0 HA MET A 429 -9.969 -12.214 -4.444 1.00 0.00 H new ATOM 0 HB2 MET A 429 -12.283 -10.343 -5.037 1.00 0.00 H new ATOM 0 HB3 MET A 429 -10.697 -9.752 -4.582 1.00 0.00 H new ATOM 0 HG2 MET A 429 -9.675 -10.696 -6.536 1.00 0.00 H new ATOM 0 HG3 MET A 429 -11.099 -11.645 -6.913 1.00 0.00 H new ATOM 0 HE1 MET A 429 -10.744 -7.083 -7.147 1.00 0.00 H new ATOM 0 HE2 MET A 429 -11.806 -7.695 -5.857 1.00 0.00 H new ATOM 0 HE3 MET A 429 -10.093 -8.175 -5.902 1.00 0.00 H new ATOM 790 N GLY A 430 -12.350 -11.450 -2.299 1.00 0.00 N ATOM 791 CA GLY A 430 -12.625 -11.162 -0.906 1.00 0.00 C ATOM 792 C GLY A 430 -12.135 -12.242 0.030 1.00 0.00 C ATOM 793 O GLY A 430 -11.719 -11.945 1.145 1.00 0.00 O ATOM 0 H GLY A 430 -13.182 -11.553 -2.881 1.00 0.00 H new ATOM 0 HA2 GLY A 430 -12.155 -10.216 -0.637 1.00 0.00 H new ATOM 0 HA3 GLY A 430 -13.699 -11.034 -0.773 1.00 0.00 H new ATOM 797 N GLN A 431 -12.165 -13.489 -0.437 1.00 0.00 N ATOM 798 CA GLN A 431 -11.724 -14.637 0.361 1.00 0.00 C ATOM 799 C GLN A 431 -10.309 -14.433 0.903 1.00 0.00 C ATOM 800 O GLN A 431 -9.932 -15.020 1.915 1.00 0.00 O ATOM 801 CB GLN A 431 -11.779 -15.915 -0.484 1.00 0.00 C ATOM 802 CG GLN A 431 -11.666 -17.196 0.330 1.00 0.00 C ATOM 803 CD GLN A 431 -10.451 -18.028 -0.041 1.00 0.00 C ATOM 804 OE1 GLN A 431 -9.984 -18.006 -1.184 1.00 0.00 O ATOM 805 NE2 GLN A 431 -9.923 -18.764 0.922 1.00 0.00 N ATOM 0 H GLN A 431 -12.493 -13.733 -1.372 1.00 0.00 H new ATOM 0 HA GLN A 431 -12.400 -14.732 1.211 1.00 0.00 H new ATOM 0 HB2 GLN A 431 -12.716 -15.931 -1.041 1.00 0.00 H new ATOM 0 HB3 GLN A 431 -10.973 -15.889 -1.217 1.00 0.00 H new ATOM 0 HG2 GLN A 431 -11.617 -16.944 1.389 1.00 0.00 H new ATOM 0 HG3 GLN A 431 -12.566 -17.793 0.185 1.00 0.00 H new ATOM 0 HE21 GLN A 431 -10.336 -18.757 1.854 1.00 0.00 H new ATOM 0 HE22 GLN A 431 -9.102 -19.339 0.733 1.00 0.00 H new ATOM 814 N ARG A 432 -9.532 -13.592 0.234 1.00 0.00 N ATOM 815 CA ARG A 432 -8.170 -13.324 0.659 1.00 0.00 C ATOM 816 C ARG A 432 -8.150 -12.440 1.896 1.00 0.00 C ATOM 817 O ARG A 432 -7.739 -12.872 2.970 1.00 0.00 O ATOM 818 CB ARG A 432 -7.383 -12.659 -0.465 1.00 0.00 C ATOM 819 CG ARG A 432 -6.034 -13.307 -0.696 1.00 0.00 C ATOM 820 CD ARG A 432 -5.912 -13.834 -2.119 1.00 0.00 C ATOM 821 NE ARG A 432 -7.165 -14.443 -2.587 1.00 0.00 N ATOM 822 CZ ARG A 432 -7.626 -15.632 -2.187 1.00 0.00 C ATOM 823 NH1 ARG A 432 -6.904 -16.396 -1.371 1.00 0.00 N ATOM 824 NH2 ARG A 432 -8.809 -16.060 -2.606 1.00 0.00 N ATOM 0 H ARG A 432 -9.823 -13.086 -0.603 1.00 0.00 H new ATOM 0 HA ARG A 432 -7.702 -14.277 0.907 1.00 0.00 H new ATOM 0 HB2 ARG A 432 -7.965 -12.703 -1.386 1.00 0.00 H new ATOM 0 HB3 ARG A 432 -7.239 -11.605 -0.228 1.00 0.00 H new ATOM 0 HG2 ARG A 432 -5.242 -12.583 -0.505 1.00 0.00 H new ATOM 0 HG3 ARG A 432 -5.895 -14.125 0.011 1.00 0.00 H new ATOM 0 HD2 ARG A 432 -5.634 -13.018 -2.786 1.00 0.00 H new ATOM 0 HD3 ARG A 432 -5.110 -14.571 -2.166 1.00 0.00 H new ATOM 0 HE ARG A 432 -7.722 -13.922 -3.264 1.00 0.00 H new ATOM 0 HH11 ARG A 432 -5.992 -16.075 -1.046 1.00 0.00 H new ATOM 0 HH12 ARG A 432 -7.263 -17.302 -1.070 1.00 0.00 H new ATOM 0 HH21 ARG A 432 -9.367 -15.482 -3.234 1.00 0.00 H new ATOM 0 HH22 ARG A 432 -9.160 -16.967 -2.301 1.00 0.00 H new ATOM 838 N MET A 433 -8.616 -11.208 1.739 1.00 0.00 N ATOM 839 CA MET A 433 -8.646 -10.248 2.836 1.00 0.00 C ATOM 840 C MET A 433 -9.554 -10.726 3.960 1.00 0.00 C ATOM 841 O MET A 433 -9.228 -10.574 5.131 1.00 0.00 O ATOM 842 CB MET A 433 -9.118 -8.875 2.345 1.00 0.00 C ATOM 843 CG MET A 433 -8.348 -8.348 1.144 1.00 0.00 C ATOM 844 SD MET A 433 -8.933 -9.041 -0.417 1.00 0.00 S ATOM 845 CE MET A 433 -10.544 -8.274 -0.539 1.00 0.00 C ATOM 0 H MET A 433 -8.981 -10.848 0.857 1.00 0.00 H new ATOM 0 HA MET A 433 -7.630 -10.160 3.220 1.00 0.00 H new ATOM 0 HB2 MET A 433 -10.175 -8.937 2.087 1.00 0.00 H new ATOM 0 HB3 MET A 433 -9.031 -8.159 3.162 1.00 0.00 H new ATOM 0 HG2 MET A 433 -8.435 -7.262 1.110 1.00 0.00 H new ATOM 0 HG3 MET A 433 -7.290 -8.580 1.266 1.00 0.00 H new ATOM 0 HE1 MET A 433 -10.998 -8.532 -1.496 1.00 0.00 H new ATOM 0 HE2 MET A 433 -11.179 -8.630 0.272 1.00 0.00 H new ATOM 0 HE3 MET A 433 -10.438 -7.191 -0.468 1.00 0.00 H new ATOM 855 N PHE A 434 -10.680 -11.330 3.596 1.00 0.00 N ATOM 856 CA PHE A 434 -11.649 -11.818 4.576 1.00 0.00 C ATOM 857 C PHE A 434 -11.031 -12.835 5.528 1.00 0.00 C ATOM 858 O PHE A 434 -11.354 -12.857 6.716 1.00 0.00 O ATOM 859 CB PHE A 434 -12.865 -12.429 3.875 1.00 0.00 C ATOM 860 CG PHE A 434 -13.949 -11.431 3.565 1.00 0.00 C ATOM 861 CD1 PHE A 434 -13.754 -10.077 3.796 1.00 0.00 C ATOM 862 CD2 PHE A 434 -15.163 -11.849 3.047 1.00 0.00 C ATOM 863 CE1 PHE A 434 -14.751 -9.161 3.515 1.00 0.00 C ATOM 864 CE2 PHE A 434 -16.164 -10.938 2.765 1.00 0.00 C ATOM 865 CZ PHE A 434 -15.957 -9.592 3.000 1.00 0.00 C ATOM 0 H PHE A 434 -10.947 -11.495 2.625 1.00 0.00 H new ATOM 0 HA PHE A 434 -11.970 -10.960 5.166 1.00 0.00 H new ATOM 0 HB2 PHE A 434 -12.540 -12.899 2.947 1.00 0.00 H new ATOM 0 HB3 PHE A 434 -13.278 -13.217 4.504 1.00 0.00 H new ATOM 0 HD1 PHE A 434 -12.813 -9.734 4.200 1.00 0.00 H new ATOM 0 HD2 PHE A 434 -15.330 -12.900 2.861 1.00 0.00 H new ATOM 0 HE1 PHE A 434 -14.586 -8.109 3.698 1.00 0.00 H new ATOM 0 HE2 PHE A 434 -17.106 -11.278 2.362 1.00 0.00 H new ATOM 0 HZ PHE A 434 -16.738 -8.878 2.781 1.00 0.00 H new ATOM 875 N GLU A 435 -10.123 -13.655 5.022 1.00 0.00 N ATOM 876 CA GLU A 435 -9.477 -14.660 5.854 1.00 0.00 C ATOM 877 C GLU A 435 -8.174 -14.126 6.420 1.00 0.00 C ATOM 878 O GLU A 435 -7.362 -14.873 6.967 1.00 0.00 O ATOM 879 CB GLU A 435 -9.208 -15.932 5.055 1.00 0.00 C ATOM 880 CG GLU A 435 -10.398 -16.869 4.956 1.00 0.00 C ATOM 881 CD GLU A 435 -10.010 -18.205 4.358 1.00 0.00 C ATOM 882 OE1 GLU A 435 -8.978 -18.768 4.786 1.00 0.00 O ATOM 883 OE2 GLU A 435 -10.716 -18.681 3.446 1.00 0.00 O ATOM 0 H GLU A 435 -9.818 -13.646 4.049 1.00 0.00 H new ATOM 0 HA GLU A 435 -10.151 -14.898 6.677 1.00 0.00 H new ATOM 0 HB2 GLU A 435 -8.893 -15.656 4.049 1.00 0.00 H new ATOM 0 HB3 GLU A 435 -8.376 -16.467 5.514 1.00 0.00 H new ATOM 0 HG2 GLU A 435 -10.823 -17.024 5.948 1.00 0.00 H new ATOM 0 HG3 GLU A 435 -11.174 -16.408 4.345 1.00 0.00 H new ATOM 890 N ASP A 436 -7.999 -12.825 6.302 1.00 0.00 N ATOM 891 CA ASP A 436 -6.790 -12.161 6.772 1.00 0.00 C ATOM 892 C ASP A 436 -7.139 -10.917 7.586 1.00 0.00 C ATOM 893 O ASP A 436 -6.338 -9.994 7.704 1.00 0.00 O ATOM 894 CB ASP A 436 -5.912 -11.783 5.577 1.00 0.00 C ATOM 895 CG ASP A 436 -4.586 -12.520 5.559 1.00 0.00 C ATOM 896 OD1 ASP A 436 -4.563 -13.705 5.159 1.00 0.00 O ATOM 897 OD2 ASP A 436 -3.563 -11.908 5.927 1.00 0.00 O ATOM 0 H ASP A 436 -8.684 -12.197 5.881 1.00 0.00 H new ATOM 0 HA ASP A 436 -6.242 -12.847 7.418 1.00 0.00 H new ATOM 0 HB2 ASP A 436 -6.452 -11.996 4.655 1.00 0.00 H new ATOM 0 HB3 ASP A 436 -5.724 -10.709 5.596 1.00 0.00 H new ATOM 1036 N GLU B 7 9.021 -5.632 -13.419 1.00 0.00 N ATOM 1037 CA GLU B 7 7.911 -4.738 -13.707 1.00 0.00 C ATOM 1038 C GLU B 7 7.790 -3.630 -12.678 1.00 0.00 C ATOM 1039 O GLU B 7 7.066 -3.764 -11.697 1.00 0.00 O ATOM 1040 CB GLU B 7 6.599 -5.520 -13.730 1.00 0.00 C ATOM 1041 CG GLU B 7 6.432 -6.419 -14.935 1.00 0.00 C ATOM 1042 CD GLU B 7 7.367 -7.619 -14.927 1.00 0.00 C ATOM 1043 OE1 GLU B 7 7.834 -8.011 -13.838 1.00 0.00 O ATOM 1044 OE2 GLU B 7 7.640 -8.172 -16.011 1.00 0.00 O ATOM 0 HA GLU B 7 8.109 -4.290 -14.681 1.00 0.00 H new ATOM 0 HB2 GLU B 7 6.535 -6.127 -12.827 1.00 0.00 H new ATOM 0 HB3 GLU B 7 5.768 -4.815 -13.699 1.00 0.00 H new ATOM 0 HG2 GLU B 7 5.401 -6.771 -14.976 1.00 0.00 H new ATOM 0 HG3 GLU B 7 6.607 -5.837 -15.840 1.00 0.00 H new ATOM 1051 N VAL B 8 8.507 -2.545 -12.882 1.00 0.00 N ATOM 1052 CA VAL B 8 8.412 -1.436 -11.969 1.00 0.00 C ATOM 1053 C VAL B 8 7.115 -0.701 -12.198 1.00 0.00 C ATOM 1054 O VAL B 8 6.873 -0.124 -13.258 1.00 0.00 O ATOM 1055 CB VAL B 8 9.606 -0.495 -12.055 1.00 0.00 C ATOM 1056 CG1 VAL B 8 9.254 0.863 -11.466 1.00 0.00 C ATOM 1057 CG2 VAL B 8 10.746 -1.137 -11.300 1.00 0.00 C ATOM 0 H VAL B 8 9.152 -2.412 -13.661 1.00 0.00 H new ATOM 0 HA VAL B 8 8.424 -1.839 -10.956 1.00 0.00 H new ATOM 0 HB VAL B 8 9.893 -0.329 -13.093 1.00 0.00 H new ATOM 0 HG11 VAL B 8 10.118 1.524 -11.535 1.00 0.00 H new ATOM 0 HG12 VAL B 8 8.421 1.295 -12.020 1.00 0.00 H new ATOM 0 HG13 VAL B 8 8.971 0.744 -10.420 1.00 0.00 H new ATOM 0 HG21 VAL B 8 11.621 -0.488 -11.341 1.00 0.00 H new ATOM 0 HG22 VAL B 8 10.455 -1.288 -10.261 1.00 0.00 H new ATOM 0 HG23 VAL B 8 10.986 -2.099 -11.753 1.00 0.00 H new ATOM 1067 N LEU B 9 6.285 -0.773 -11.192 1.00 0.00 N ATOM 1068 CA LEU B 9 4.979 -0.165 -11.216 1.00 0.00 C ATOM 1069 C LEU B 9 5.078 1.337 -11.094 1.00 0.00 C ATOM 1070 O LEU B 9 4.512 2.076 -11.897 1.00 0.00 O ATOM 1071 CB LEU B 9 4.138 -0.718 -10.065 1.00 0.00 C ATOM 1072 CG LEU B 9 4.433 -2.171 -9.701 1.00 0.00 C ATOM 1073 CD1 LEU B 9 3.916 -2.507 -8.323 1.00 0.00 C ATOM 1074 CD2 LEU B 9 3.822 -3.094 -10.722 1.00 0.00 C ATOM 0 H LEU B 9 6.498 -1.261 -10.322 1.00 0.00 H new ATOM 0 HA LEU B 9 4.506 -0.401 -12.169 1.00 0.00 H new ATOM 0 HB2 LEU B 9 4.299 -0.097 -9.184 1.00 0.00 H new ATOM 0 HB3 LEU B 9 3.084 -0.630 -10.328 1.00 0.00 H new ATOM 0 HG LEU B 9 5.515 -2.305 -9.697 1.00 0.00 H new ATOM 0 HD11 LEU B 9 4.142 -3.548 -8.094 1.00 0.00 H new ATOM 0 HD12 LEU B 9 4.395 -1.861 -7.587 1.00 0.00 H new ATOM 0 HD13 LEU B 9 2.837 -2.354 -8.292 1.00 0.00 H new ATOM 0 HD21 LEU B 9 4.038 -4.128 -10.453 1.00 0.00 H new ATOM 0 HD22 LEU B 9 2.743 -2.944 -10.748 1.00 0.00 H new ATOM 0 HD23 LEU B 9 4.242 -2.879 -11.704 1.00 0.00 H new ATOM 1086 N LEU B 10 5.793 1.786 -10.086 1.00 0.00 N ATOM 1087 CA LEU B 10 5.932 3.204 -9.863 1.00 0.00 C ATOM 1088 C LEU B 10 7.308 3.577 -9.342 1.00 0.00 C ATOM 1089 O LEU B 10 7.925 2.841 -8.571 1.00 0.00 O ATOM 1090 CB LEU B 10 4.874 3.654 -8.879 1.00 0.00 C ATOM 1091 CG LEU B 10 4.529 5.136 -8.928 1.00 0.00 C ATOM 1092 CD1 LEU B 10 3.715 5.458 -10.171 1.00 0.00 C ATOM 1093 CD2 LEU B 10 3.779 5.530 -7.673 1.00 0.00 C ATOM 0 H LEU B 10 6.282 1.194 -9.415 1.00 0.00 H new ATOM 0 HA LEU B 10 5.805 3.707 -10.822 1.00 0.00 H new ATOM 0 HB2 LEU B 10 3.965 3.080 -9.060 1.00 0.00 H new ATOM 0 HB3 LEU B 10 5.210 3.409 -7.872 1.00 0.00 H new ATOM 0 HG LEU B 10 5.453 5.712 -8.978 1.00 0.00 H new ATOM 0 HD11 LEU B 10 3.479 6.522 -10.186 1.00 0.00 H new ATOM 0 HD12 LEU B 10 4.291 5.201 -11.060 1.00 0.00 H new ATOM 0 HD13 LEU B 10 2.790 4.882 -10.159 1.00 0.00 H new ATOM 0 HD21 LEU B 10 3.535 6.591 -7.713 1.00 0.00 H new ATOM 0 HD22 LEU B 10 2.860 4.949 -7.601 1.00 0.00 H new ATOM 0 HD23 LEU B 10 4.402 5.334 -6.800 1.00 0.00 H new ATOM 1105 N ILE B 11 7.769 4.728 -9.786 1.00 0.00 N ATOM 1106 CA ILE B 11 9.045 5.278 -9.383 1.00 0.00 C ATOM 1107 C ILE B 11 8.813 6.638 -8.747 1.00 0.00 C ATOM 1108 O ILE B 11 8.502 7.600 -9.447 1.00 0.00 O ATOM 1109 CB ILE B 11 9.989 5.441 -10.600 1.00 0.00 C ATOM 1110 CG1 ILE B 11 10.409 4.074 -11.139 1.00 0.00 C ATOM 1111 CG2 ILE B 11 11.210 6.271 -10.236 1.00 0.00 C ATOM 1112 CD1 ILE B 11 11.162 4.141 -12.451 1.00 0.00 C ATOM 0 H ILE B 11 7.260 5.315 -10.446 1.00 0.00 H new ATOM 0 HA ILE B 11 9.513 4.596 -8.673 1.00 0.00 H new ATOM 0 HB ILE B 11 9.444 5.969 -11.382 1.00 0.00 H new ATOM 0 HG12 ILE B 11 11.034 3.577 -10.397 1.00 0.00 H new ATOM 0 HG13 ILE B 11 9.520 3.457 -11.272 1.00 0.00 H new ATOM 0 HG21 ILE B 11 11.856 6.370 -11.108 1.00 0.00 H new ATOM 0 HG22 ILE B 11 10.892 7.260 -9.906 1.00 0.00 H new ATOM 0 HG23 ILE B 11 11.758 5.779 -9.433 1.00 0.00 H new ATOM 0 HD11 ILE B 11 11.427 3.133 -12.770 1.00 0.00 H new ATOM 0 HD12 ILE B 11 10.533 4.608 -13.208 1.00 0.00 H new ATOM 0 HD13 ILE B 11 12.070 4.730 -12.320 1.00 0.00 H new ATOM 1124 N VAL B 12 8.918 6.719 -7.427 1.00 0.00 N ATOM 1125 CA VAL B 12 8.720 7.975 -6.746 1.00 0.00 C ATOM 1126 C VAL B 12 10.063 8.586 -6.418 1.00 0.00 C ATOM 1127 O VAL B 12 10.993 7.877 -6.055 1.00 0.00 O ATOM 1128 CB VAL B 12 7.901 7.794 -5.464 1.00 0.00 C ATOM 1129 CG1 VAL B 12 7.571 9.136 -4.845 1.00 0.00 C ATOM 1130 CG2 VAL B 12 6.638 7.018 -5.761 1.00 0.00 C ATOM 0 H VAL B 12 9.138 5.931 -6.817 1.00 0.00 H new ATOM 0 HA VAL B 12 8.162 8.639 -7.406 1.00 0.00 H new ATOM 0 HB VAL B 12 8.497 7.230 -4.747 1.00 0.00 H new ATOM 0 HG11 VAL B 12 6.989 8.984 -3.936 1.00 0.00 H new ATOM 0 HG12 VAL B 12 8.494 9.661 -4.601 1.00 0.00 H new ATOM 0 HG13 VAL B 12 6.991 9.730 -5.552 1.00 0.00 H new ATOM 0 HG21 VAL B 12 6.063 6.894 -4.844 1.00 0.00 H new ATOM 0 HG22 VAL B 12 6.041 7.561 -6.493 1.00 0.00 H new ATOM 0 HG23 VAL B 12 6.899 6.038 -6.161 1.00 0.00 H new ATOM 1140 N LYS B 13 10.167 9.889 -6.562 1.00 0.00 N ATOM 1141 CA LYS B 13 11.416 10.583 -6.301 1.00 0.00 C ATOM 1142 C LYS B 13 11.268 11.497 -5.095 1.00 0.00 C ATOM 1143 O LYS B 13 10.159 11.734 -4.620 1.00 0.00 O ATOM 1144 CB LYS B 13 11.863 11.407 -7.517 1.00 0.00 C ATOM 1145 CG LYS B 13 12.528 10.625 -8.655 1.00 0.00 C ATOM 1146 CD LYS B 13 11.623 9.588 -9.319 1.00 0.00 C ATOM 1147 CE LYS B 13 10.171 10.034 -9.437 1.00 0.00 C ATOM 1148 NZ LYS B 13 10.000 11.344 -10.120 1.00 0.00 N ATOM 0 H LYS B 13 9.401 10.494 -6.859 1.00 0.00 H new ATOM 0 HA LYS B 13 12.177 9.829 -6.097 1.00 0.00 H new ATOM 0 HB2 LYS B 13 10.992 11.924 -7.920 1.00 0.00 H new ATOM 0 HB3 LYS B 13 12.559 12.173 -7.175 1.00 0.00 H new ATOM 0 HG2 LYS B 13 12.870 11.330 -9.413 1.00 0.00 H new ATOM 0 HG3 LYS B 13 13.413 10.121 -8.265 1.00 0.00 H new ATOM 0 HD2 LYS B 13 12.008 9.365 -10.314 1.00 0.00 H new ATOM 0 HD3 LYS B 13 11.665 8.661 -8.746 1.00 0.00 H new ATOM 0 HE2 LYS B 13 9.610 9.275 -9.982 1.00 0.00 H new ATOM 0 HE3 LYS B 13 9.737 10.096 -8.439 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 9.567 12.024 -9.463 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 10.928 11.700 -10.425 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 9.385 11.225 -10.950 1.00 0.00 H new ATOM 1162 N LYS B 14 12.398 12.017 -4.625 1.00 0.00 N ATOM 1163 CA LYS B 14 12.440 12.899 -3.465 1.00 0.00 C ATOM 1164 C LYS B 14 11.764 12.255 -2.251 1.00 0.00 C ATOM 1165 O LYS B 14 11.223 12.941 -1.381 1.00 0.00 O ATOM 1166 CB LYS B 14 11.798 14.235 -3.825 1.00 0.00 C ATOM 1167 CG LYS B 14 12.789 15.254 -4.375 1.00 0.00 C ATOM 1168 CD LYS B 14 12.112 16.279 -5.275 1.00 0.00 C ATOM 1169 CE LYS B 14 11.577 17.466 -4.486 1.00 0.00 C ATOM 1170 NZ LYS B 14 10.806 18.408 -5.347 1.00 0.00 N ATOM 0 H LYS B 14 13.312 11.838 -5.040 1.00 0.00 H new ATOM 0 HA LYS B 14 13.479 13.074 -3.186 1.00 0.00 H new ATOM 0 HB2 LYS B 14 11.015 14.066 -4.564 1.00 0.00 H new ATOM 0 HB3 LYS B 14 11.317 14.649 -2.939 1.00 0.00 H new ATOM 0 HG2 LYS B 14 13.280 15.766 -3.547 1.00 0.00 H new ATOM 0 HG3 LYS B 14 13.567 14.737 -4.936 1.00 0.00 H new ATOM 0 HD2 LYS B 14 12.823 16.631 -6.022 1.00 0.00 H new ATOM 0 HD3 LYS B 14 11.293 15.803 -5.814 1.00 0.00 H new ATOM 0 HE2 LYS B 14 10.938 17.107 -3.679 1.00 0.00 H new ATOM 0 HE3 LYS B 14 12.408 17.997 -4.022 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 10.532 19.243 -4.790 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 11.396 18.706 -6.150 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 9.951 17.933 -5.702 1.00 0.00 H new ATOM 1184 N VAL B 15 11.814 10.928 -2.208 1.00 0.00 N ATOM 1185 CA VAL B 15 11.240 10.159 -1.115 1.00 0.00 C ATOM 1186 C VAL B 15 12.282 10.034 -0.016 1.00 0.00 C ATOM 1187 O VAL B 15 13.292 9.361 -0.190 1.00 0.00 O ATOM 1188 CB VAL B 15 10.801 8.750 -1.588 1.00 0.00 C ATOM 1189 CG1 VAL B 15 9.785 8.135 -0.647 1.00 0.00 C ATOM 1190 CG2 VAL B 15 10.225 8.811 -2.982 1.00 0.00 C ATOM 0 H VAL B 15 12.254 10.358 -2.930 1.00 0.00 H new ATOM 0 HA VAL B 15 10.354 10.674 -0.744 1.00 0.00 H new ATOM 0 HB VAL B 15 11.691 8.121 -1.591 1.00 0.00 H new ATOM 0 HG11 VAL B 15 9.502 7.148 -1.012 1.00 0.00 H new ATOM 0 HG12 VAL B 15 10.220 8.043 0.348 1.00 0.00 H new ATOM 0 HG13 VAL B 15 8.901 8.771 -0.599 1.00 0.00 H new ATOM 0 HG21 VAL B 15 9.923 7.812 -3.295 1.00 0.00 H new ATOM 0 HG22 VAL B 15 9.357 9.471 -2.989 1.00 0.00 H new ATOM 0 HG23 VAL B 15 10.978 9.195 -3.670 1.00 0.00 H new ATOM 1200 N ARG B 16 12.048 10.692 1.103 1.00 0.00 N ATOM 1201 CA ARG B 16 12.996 10.682 2.200 1.00 0.00 C ATOM 1202 C ARG B 16 12.601 9.697 3.292 1.00 0.00 C ATOM 1203 O ARG B 16 11.480 9.715 3.790 1.00 0.00 O ATOM 1204 CB ARG B 16 13.128 12.086 2.797 1.00 0.00 C ATOM 1205 CG ARG B 16 13.300 13.178 1.752 1.00 0.00 C ATOM 1206 CD ARG B 16 13.710 14.501 2.383 1.00 0.00 C ATOM 1207 NE ARG B 16 15.067 14.442 2.931 1.00 0.00 N ATOM 1208 CZ ARG B 16 16.149 14.895 2.297 1.00 0.00 C ATOM 1209 NH1 ARG B 16 16.027 15.562 1.155 1.00 0.00 N ATOM 1210 NH2 ARG B 16 17.352 14.699 2.816 1.00 0.00 N ATOM 0 H ARG B 16 11.207 11.242 1.276 1.00 0.00 H new ATOM 0 HA ARG B 16 13.955 10.361 1.794 1.00 0.00 H new ATOM 0 HB2 ARG B 16 12.242 12.303 3.394 1.00 0.00 H new ATOM 0 HB3 ARG B 16 13.982 12.105 3.474 1.00 0.00 H new ATOM 0 HG2 ARG B 16 14.054 12.872 1.026 1.00 0.00 H new ATOM 0 HG3 ARG B 16 12.366 13.309 1.206 1.00 0.00 H new ATOM 0 HD2 ARG B 16 13.653 15.293 1.637 1.00 0.00 H new ATOM 0 HD3 ARG B 16 13.008 14.759 3.176 1.00 0.00 H new ATOM 0 HE ARG B 16 15.192 14.029 3.855 1.00 0.00 H new ATOM 0 HH11 ARG B 16 15.102 15.730 0.759 1.00 0.00 H new ATOM 0 HH12 ARG B 16 16.858 15.906 0.674 1.00 0.00 H new ATOM 0 HH21 ARG B 16 17.451 14.201 3.701 1.00 0.00 H new ATOM 0 HH22 ARG B 16 18.179 15.046 2.331 1.00 0.00 H new ATOM 1224 N GLN B 17 13.531 8.827 3.642 1.00 0.00 N ATOM 1225 CA GLN B 17 13.316 7.860 4.704 1.00 0.00 C ATOM 1226 C GLN B 17 14.068 8.340 5.932 1.00 0.00 C ATOM 1227 O GLN B 17 15.290 8.197 6.009 1.00 0.00 O ATOM 1228 CB GLN B 17 13.800 6.470 4.289 1.00 0.00 C ATOM 1229 CG GLN B 17 12.864 5.349 4.709 1.00 0.00 C ATOM 1230 CD GLN B 17 12.603 5.322 6.202 1.00 0.00 C ATOM 1231 OE1 GLN B 17 11.691 5.977 6.696 1.00 0.00 O ATOM 1232 NE2 GLN B 17 13.402 4.560 6.932 1.00 0.00 N ATOM 0 H GLN B 17 14.450 8.770 3.202 1.00 0.00 H new ATOM 0 HA GLN B 17 12.250 7.779 4.919 1.00 0.00 H new ATOM 0 HB2 GLN B 17 13.920 6.445 3.206 1.00 0.00 H new ATOM 0 HB3 GLN B 17 14.784 6.292 4.723 1.00 0.00 H new ATOM 0 HG2 GLN B 17 11.916 5.458 4.182 1.00 0.00 H new ATOM 0 HG3 GLN B 17 13.290 4.394 4.403 1.00 0.00 H new ATOM 0 HE21 GLN B 17 14.150 4.030 6.485 1.00 0.00 H new ATOM 0 HE22 GLN B 17 13.270 4.503 7.942 1.00 0.00 H new ATOM 1241 N LYS B 18 13.340 8.938 6.869 1.00 0.00 N ATOM 1242 CA LYS B 18 13.933 9.488 8.084 1.00 0.00 C ATOM 1243 C LYS B 18 14.936 10.578 7.704 1.00 0.00 C ATOM 1244 O LYS B 18 16.071 10.600 8.182 1.00 0.00 O ATOM 1245 CB LYS B 18 14.602 8.395 8.932 1.00 0.00 C ATOM 1246 CG LYS B 18 14.980 8.867 10.329 1.00 0.00 C ATOM 1247 CD LYS B 18 15.861 7.864 11.052 1.00 0.00 C ATOM 1248 CE LYS B 18 16.748 8.548 12.086 1.00 0.00 C ATOM 1249 NZ LYS B 18 15.963 9.362 13.053 1.00 0.00 N ATOM 0 H LYS B 18 12.328 9.055 6.809 1.00 0.00 H new ATOM 0 HA LYS B 18 13.142 9.922 8.695 1.00 0.00 H new ATOM 0 HB2 LYS B 18 13.927 7.543 9.014 1.00 0.00 H new ATOM 0 HB3 LYS B 18 15.498 8.044 8.419 1.00 0.00 H new ATOM 0 HG2 LYS B 18 15.500 9.822 10.260 1.00 0.00 H new ATOM 0 HG3 LYS B 18 14.074 9.039 10.911 1.00 0.00 H new ATOM 0 HD2 LYS B 18 15.237 7.117 11.542 1.00 0.00 H new ATOM 0 HD3 LYS B 18 16.483 7.336 10.329 1.00 0.00 H new ATOM 0 HE2 LYS B 18 17.318 7.794 12.628 1.00 0.00 H new ATOM 0 HE3 LYS B 18 17.469 9.188 11.577 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 16.573 9.640 13.848 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 15.604 10.215 12.578 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 15.163 8.801 13.410 1.00 0.00 H new ATOM 1263 N LYS B 19 14.488 11.472 6.821 1.00 0.00 N ATOM 1264 CA LYS B 19 15.287 12.596 6.321 1.00 0.00 C ATOM 1265 C LYS B 19 16.344 12.174 5.295 1.00 0.00 C ATOM 1266 O LYS B 19 17.156 12.998 4.883 1.00 0.00 O ATOM 1267 CB LYS B 19 15.952 13.378 7.461 1.00 0.00 C ATOM 1268 CG LYS B 19 15.009 14.322 8.189 1.00 0.00 C ATOM 1269 CD LYS B 19 14.348 13.650 9.380 1.00 0.00 C ATOM 1270 CE LYS B 19 15.370 13.258 10.435 1.00 0.00 C ATOM 1271 NZ LYS B 19 14.759 13.178 11.783 1.00 0.00 N ATOM 0 H LYS B 19 13.548 11.437 6.427 1.00 0.00 H new ATOM 0 HA LYS B 19 14.577 13.249 5.813 1.00 0.00 H new ATOM 0 HB2 LYS B 19 16.369 12.672 8.179 1.00 0.00 H new ATOM 0 HB3 LYS B 19 16.786 13.952 7.057 1.00 0.00 H new ATOM 0 HG2 LYS B 19 15.561 15.199 8.527 1.00 0.00 H new ATOM 0 HG3 LYS B 19 14.243 14.674 7.499 1.00 0.00 H new ATOM 0 HD2 LYS B 19 13.612 14.324 9.818 1.00 0.00 H new ATOM 0 HD3 LYS B 19 13.809 12.763 9.046 1.00 0.00 H new ATOM 0 HE2 LYS B 19 15.810 12.295 10.176 1.00 0.00 H new ATOM 0 HE3 LYS B 19 16.181 13.986 10.445 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 15.485 12.908 12.478 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 14.361 14.104 12.039 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 14.002 12.465 11.779 1.00 0.00 H new ATOM 1285 N GLN B 20 16.332 10.916 4.864 1.00 0.00 N ATOM 1286 CA GLN B 20 17.294 10.454 3.864 1.00 0.00 C ATOM 1287 C GLN B 20 16.651 10.522 2.490 1.00 0.00 C ATOM 1288 O GLN B 20 15.724 9.770 2.205 1.00 0.00 O ATOM 1289 CB GLN B 20 17.759 9.023 4.155 1.00 0.00 C ATOM 1290 CG GLN B 20 19.098 8.945 4.874 1.00 0.00 C ATOM 1291 CD GLN B 20 18.994 9.257 6.354 1.00 0.00 C ATOM 1292 OE1 GLN B 20 17.891 8.862 6.968 1.00 0.00 O flip ATOM 1293 NE2 GLN B 20 19.902 9.836 6.944 1.00 0.00 N flip ATOM 0 H GLN B 20 15.676 10.204 5.186 1.00 0.00 H new ATOM 0 HA GLN B 20 18.171 11.100 3.899 1.00 0.00 H new ATOM 0 HB2 GLN B 20 17.003 8.521 4.759 1.00 0.00 H new ATOM 0 HB3 GLN B 20 17.830 8.476 3.215 1.00 0.00 H new ATOM 0 HG2 GLN B 20 19.515 7.946 4.747 1.00 0.00 H new ATOM 0 HG3 GLN B 20 19.795 9.642 4.409 1.00 0.00 H new ATOM 0 HE21 GLN B 20 20.738 10.125 6.436 1.00 0.00 H new ATOM 0 HE22 GLN B 20 19.821 10.028 7.943 1.00 0.00 H new ATOM 1302 N ASP B 21 17.132 11.421 1.644 1.00 0.00 N ATOM 1303 CA ASP B 21 16.562 11.597 0.313 1.00 0.00 C ATOM 1304 C ASP B 21 16.911 10.459 -0.625 1.00 0.00 C ATOM 1305 O ASP B 21 18.069 10.082 -0.770 1.00 0.00 O ATOM 1306 CB ASP B 21 17.001 12.924 -0.314 1.00 0.00 C ATOM 1307 CG ASP B 21 18.486 13.198 -0.180 1.00 0.00 C ATOM 1308 OD1 ASP B 21 18.936 13.470 0.956 1.00 0.00 O ATOM 1309 OD2 ASP B 21 19.190 13.170 -1.204 1.00 0.00 O ATOM 0 H ASP B 21 17.915 12.040 1.854 1.00 0.00 H new ATOM 0 HA ASP B 21 15.481 11.603 0.451 1.00 0.00 H new ATOM 0 HB2 ASP B 21 16.735 12.922 -1.371 1.00 0.00 H new ATOM 0 HB3 ASP B 21 16.446 13.738 0.153 1.00 0.00 H new ATOM 1314 N GLY B 22 15.877 9.893 -1.223 1.00 0.00 N ATOM 1315 CA GLY B 22 16.038 8.836 -2.178 1.00 0.00 C ATOM 1316 C GLY B 22 14.836 8.712 -3.085 1.00 0.00 C ATOM 1317 O GLY B 22 14.341 9.707 -3.621 1.00 0.00 O ATOM 0 H GLY B 22 14.907 10.160 -1.053 1.00 0.00 H new ATOM 0 HA2 GLY B 22 16.929 9.021 -2.778 1.00 0.00 H new ATOM 0 HA3 GLY B 22 16.197 7.894 -1.654 1.00 0.00 H new ATOM 1321 N ALA B 23 14.367 7.492 -3.254 1.00 0.00 N ATOM 1322 CA ALA B 23 13.239 7.213 -4.108 1.00 0.00 C ATOM 1323 C ALA B 23 12.475 5.994 -3.625 1.00 0.00 C ATOM 1324 O ALA B 23 13.065 5.054 -3.095 1.00 0.00 O ATOM 1325 CB ALA B 23 13.721 6.994 -5.520 1.00 0.00 C ATOM 0 H ALA B 23 14.761 6.667 -2.801 1.00 0.00 H new ATOM 0 HA ALA B 23 12.562 8.067 -4.079 1.00 0.00 H new ATOM 0 HB1 ALA B 23 12.869 6.783 -6.167 1.00 0.00 H new ATOM 0 HB2 ALA B 23 14.232 7.890 -5.873 1.00 0.00 H new ATOM 0 HB3 ALA B 23 14.411 6.151 -5.542 1.00 0.00 H new ATOM 1331 N LEU B 24 11.171 6.005 -3.834 1.00 0.00 N ATOM 1332 CA LEU B 24 10.324 4.904 -3.426 1.00 0.00 C ATOM 1333 C LEU B 24 9.884 4.163 -4.683 1.00 0.00 C ATOM 1334 O LEU B 24 9.079 4.668 -5.464 1.00 0.00 O ATOM 1335 CB LEU B 24 9.112 5.428 -2.654 1.00 0.00 C ATOM 1336 CG LEU B 24 8.578 4.503 -1.558 1.00 0.00 C ATOM 1337 CD1 LEU B 24 7.112 4.783 -1.283 1.00 0.00 C ATOM 1338 CD2 LEU B 24 8.787 3.044 -1.908 1.00 0.00 C ATOM 0 H LEU B 24 10.674 6.772 -4.288 1.00 0.00 H new ATOM 0 HA LEU B 24 10.868 4.228 -2.766 1.00 0.00 H new ATOM 0 HB2 LEU B 24 9.377 6.384 -2.201 1.00 0.00 H new ATOM 0 HB3 LEU B 24 8.308 5.624 -3.364 1.00 0.00 H new ATOM 0 HG LEU B 24 9.146 4.709 -0.651 1.00 0.00 H new ATOM 0 HD11 LEU B 24 6.754 4.114 -0.501 1.00 0.00 H new ATOM 0 HD12 LEU B 24 6.994 5.817 -0.958 1.00 0.00 H new ATOM 0 HD13 LEU B 24 6.534 4.620 -2.192 1.00 0.00 H new ATOM 0 HD21 LEU B 24 8.395 2.418 -1.106 1.00 0.00 H new ATOM 0 HD22 LEU B 24 8.264 2.814 -2.836 1.00 0.00 H new ATOM 0 HD23 LEU B 24 9.852 2.849 -2.033 1.00 0.00 H new ATOM 1350 N TYR B 25 10.432 2.984 -4.886 1.00 0.00 N ATOM 1351 CA TYR B 25 10.125 2.196 -6.072 1.00 0.00 C ATOM 1352 C TYR B 25 9.175 1.038 -5.776 1.00 0.00 C ATOM 1353 O TYR B 25 9.433 0.220 -4.892 1.00 0.00 O ATOM 1354 CB TYR B 25 11.414 1.616 -6.660 1.00 0.00 C ATOM 1355 CG TYR B 25 12.211 2.571 -7.514 1.00 0.00 C ATOM 1356 CD1 TYR B 25 12.471 3.865 -7.096 1.00 0.00 C ATOM 1357 CD2 TYR B 25 12.713 2.165 -8.742 1.00 0.00 C ATOM 1358 CE1 TYR B 25 13.211 4.730 -7.874 1.00 0.00 C ATOM 1359 CE2 TYR B 25 13.452 3.023 -9.529 1.00 0.00 C ATOM 1360 CZ TYR B 25 13.700 4.306 -9.091 1.00 0.00 C ATOM 1361 OH TYR B 25 14.441 5.167 -9.868 1.00 0.00 O ATOM 0 H TYR B 25 11.094 2.545 -4.247 1.00 0.00 H new ATOM 0 HA TYR B 25 9.638 2.870 -6.777 1.00 0.00 H new ATOM 0 HB2 TYR B 25 12.046 1.270 -5.842 1.00 0.00 H new ATOM 0 HB3 TYR B 25 11.161 0.741 -7.259 1.00 0.00 H new ATOM 0 HD1 TYR B 25 12.088 4.203 -6.144 1.00 0.00 H new ATOM 0 HD2 TYR B 25 12.522 1.160 -9.087 1.00 0.00 H new ATOM 0 HE1 TYR B 25 13.407 5.735 -7.531 1.00 0.00 H new ATOM 0 HE2 TYR B 25 13.834 2.691 -10.483 1.00 0.00 H new ATOM 0 HH TYR B 25 14.711 4.713 -10.693 1.00 0.00 H new ATOM 1371 N LEU B 26 8.078 0.970 -6.513 1.00 0.00 N ATOM 1372 CA LEU B 26 7.148 -0.140 -6.370 1.00 0.00 C ATOM 1373 C LEU B 26 7.462 -1.118 -7.466 1.00 0.00 C ATOM 1374 O LEU B 26 7.239 -0.818 -8.640 1.00 0.00 O ATOM 1375 CB LEU B 26 5.685 0.267 -6.519 1.00 0.00 C ATOM 1376 CG LEU B 26 5.285 1.560 -5.852 1.00 0.00 C ATOM 1377 CD1 LEU B 26 3.861 1.920 -6.232 1.00 0.00 C ATOM 1378 CD2 LEU B 26 5.401 1.451 -4.347 1.00 0.00 C ATOM 0 H LEU B 26 7.810 1.664 -7.211 1.00 0.00 H new ATOM 0 HA LEU B 26 7.268 -0.550 -5.367 1.00 0.00 H new ATOM 0 HB2 LEU B 26 5.457 0.344 -7.582 1.00 0.00 H new ATOM 0 HB3 LEU B 26 5.064 -0.533 -6.117 1.00 0.00 H new ATOM 0 HG LEU B 26 5.961 2.344 -6.194 1.00 0.00 H new ATOM 0 HD11 LEU B 26 3.580 2.855 -5.746 1.00 0.00 H new ATOM 0 HD12 LEU B 26 3.792 2.038 -7.313 1.00 0.00 H new ATOM 0 HD13 LEU B 26 3.187 1.127 -5.910 1.00 0.00 H new ATOM 0 HD21 LEU B 26 5.107 2.396 -3.890 1.00 0.00 H new ATOM 0 HD22 LEU B 26 4.748 0.656 -3.988 1.00 0.00 H new ATOM 0 HD23 LEU B 26 6.432 1.223 -4.077 1.00 0.00 H new ATOM 1390 N MET B 27 8.001 -2.260 -7.117 1.00 0.00 N ATOM 1391 CA MET B 27 8.321 -3.229 -8.128 1.00 0.00 C ATOM 1392 C MET B 27 7.221 -4.248 -8.246 1.00 0.00 C ATOM 1393 O MET B 27 6.344 -4.328 -7.386 1.00 0.00 O ATOM 1394 CB MET B 27 9.669 -3.906 -7.873 1.00 0.00 C ATOM 1395 CG MET B 27 10.844 -3.197 -8.524 1.00 0.00 C ATOM 1396 SD MET B 27 12.243 -2.997 -7.407 1.00 0.00 S ATOM 1397 CE MET B 27 11.594 -1.756 -6.298 1.00 0.00 C ATOM 0 H MET B 27 8.223 -2.535 -6.160 1.00 0.00 H new ATOM 0 HA MET B 27 8.408 -2.696 -9.075 1.00 0.00 H new ATOM 0 HB2 MET B 27 9.840 -3.961 -6.798 1.00 0.00 H new ATOM 0 HB3 MET B 27 9.626 -4.931 -8.241 1.00 0.00 H new ATOM 0 HG2 MET B 27 11.162 -3.761 -9.401 1.00 0.00 H new ATOM 0 HG3 MET B 27 10.522 -2.217 -8.875 1.00 0.00 H new ATOM 0 HE1 MET B 27 12.363 -1.010 -6.097 1.00 0.00 H new ATOM 0 HE2 MET B 27 10.731 -1.273 -6.757 1.00 0.00 H new ATOM 0 HE3 MET B 27 11.292 -2.226 -5.362 1.00 0.00 H new ATOM 1407 N ALA B 28 7.340 -5.054 -9.282 1.00 0.00 N ATOM 1408 CA ALA B 28 6.350 -6.044 -9.648 1.00 0.00 C ATOM 1409 C ALA B 28 5.689 -6.750 -8.462 1.00 0.00 C ATOM 1410 O ALA B 28 4.464 -6.757 -8.344 1.00 0.00 O ATOM 1411 CB ALA B 28 6.972 -7.070 -10.569 1.00 0.00 C ATOM 0 H ALA B 28 8.147 -5.038 -9.906 1.00 0.00 H new ATOM 0 HA ALA B 28 5.553 -5.497 -10.151 1.00 0.00 H new ATOM 0 HB1 ALA B 28 6.224 -7.814 -10.843 1.00 0.00 H new ATOM 0 HB2 ALA B 28 7.339 -6.576 -11.469 1.00 0.00 H new ATOM 0 HB3 ALA B 28 7.802 -7.560 -10.060 1.00 0.00 H new ATOM 1417 N GLU B 29 6.491 -7.340 -7.591 1.00 0.00 N ATOM 1418 CA GLU B 29 5.956 -8.060 -6.444 1.00 0.00 C ATOM 1419 C GLU B 29 6.514 -7.559 -5.111 1.00 0.00 C ATOM 1420 O GLU B 29 6.194 -8.115 -4.055 1.00 0.00 O ATOM 1421 CB GLU B 29 6.231 -9.566 -6.587 1.00 0.00 C ATOM 1422 CG GLU B 29 7.458 -9.914 -7.425 1.00 0.00 C ATOM 1423 CD GLU B 29 8.704 -9.167 -6.991 1.00 0.00 C ATOM 1424 OE1 GLU B 29 9.304 -9.546 -5.969 1.00 0.00 O ATOM 1425 OE2 GLU B 29 9.065 -8.174 -7.664 1.00 0.00 O ATOM 0 H GLU B 29 7.509 -7.336 -7.654 1.00 0.00 H new ATOM 0 HA GLU B 29 4.882 -7.874 -6.433 1.00 0.00 H new ATOM 0 HB2 GLU B 29 6.354 -9.995 -5.593 1.00 0.00 H new ATOM 0 HB3 GLU B 29 5.357 -10.040 -7.033 1.00 0.00 H new ATOM 0 HG2 GLU B 29 7.643 -10.986 -7.360 1.00 0.00 H new ATOM 0 HG3 GLU B 29 7.252 -9.689 -8.471 1.00 0.00 H new ATOM 1432 N ARG B 30 7.301 -6.490 -5.128 1.00 0.00 N ATOM 1433 CA ARG B 30 7.880 -5.999 -3.886 1.00 0.00 C ATOM 1434 C ARG B 30 8.137 -4.505 -3.947 1.00 0.00 C ATOM 1435 O ARG B 30 8.371 -3.944 -5.013 1.00 0.00 O ATOM 1436 CB ARG B 30 9.181 -6.749 -3.548 1.00 0.00 C ATOM 1437 CG ARG B 30 10.437 -6.178 -4.199 1.00 0.00 C ATOM 1438 CD ARG B 30 10.668 -6.760 -5.583 1.00 0.00 C ATOM 1439 NE ARG B 30 11.889 -6.247 -6.201 1.00 0.00 N ATOM 1440 CZ ARG B 30 12.289 -6.563 -7.437 1.00 0.00 C ATOM 1441 NH1 ARG B 30 11.556 -7.362 -8.203 1.00 0.00 N ATOM 1442 NH2 ARG B 30 13.421 -6.063 -7.912 1.00 0.00 N ATOM 0 H ARG B 30 7.547 -5.960 -5.964 1.00 0.00 H new ATOM 0 HA ARG B 30 7.155 -6.187 -3.094 1.00 0.00 H new ATOM 0 HB2 ARG B 30 9.316 -6.745 -2.466 1.00 0.00 H new ATOM 0 HB3 ARG B 30 9.073 -7.790 -3.852 1.00 0.00 H new ATOM 0 HG2 ARG B 30 10.349 -5.094 -4.270 1.00 0.00 H new ATOM 0 HG3 ARG B 30 11.301 -6.387 -3.568 1.00 0.00 H new ATOM 0 HD2 ARG B 30 10.727 -7.846 -5.513 1.00 0.00 H new ATOM 0 HD3 ARG B 30 9.815 -6.527 -6.220 1.00 0.00 H new ATOM 0 HE ARG B 30 12.471 -5.610 -5.657 1.00 0.00 H new ATOM 0 HH11 ARG B 30 10.678 -7.742 -7.850 1.00 0.00 H new ATOM 0 HH12 ARG B 30 11.871 -7.596 -9.144 1.00 0.00 H new ATOM 0 HH21 ARG B 30 13.985 -5.439 -7.335 1.00 0.00 H new ATOM 0 HH22 ARG B 30 13.728 -6.303 -8.855 1.00 0.00 H new ATOM 1456 N ILE B 31 8.096 -3.869 -2.794 1.00 0.00 N ATOM 1457 CA ILE B 31 8.332 -2.445 -2.701 1.00 0.00 C ATOM 1458 C ILE B 31 9.721 -2.201 -2.123 1.00 0.00 C ATOM 1459 O ILE B 31 10.070 -2.731 -1.066 1.00 0.00 O ATOM 1460 CB ILE B 31 7.247 -1.744 -1.845 1.00 0.00 C ATOM 1461 CG1 ILE B 31 7.584 -0.266 -1.646 1.00 0.00 C ATOM 1462 CG2 ILE B 31 7.070 -2.443 -0.502 1.00 0.00 C ATOM 1463 CD1 ILE B 31 6.453 0.538 -1.041 1.00 0.00 C ATOM 0 H ILE B 31 7.899 -4.322 -1.901 1.00 0.00 H new ATOM 0 HA ILE B 31 8.277 -2.016 -3.701 1.00 0.00 H new ATOM 0 HB ILE B 31 6.302 -1.810 -2.384 1.00 0.00 H new ATOM 0 HG12 ILE B 31 8.460 -0.185 -1.003 1.00 0.00 H new ATOM 0 HG13 ILE B 31 7.854 0.169 -2.608 1.00 0.00 H new ATOM 0 HG21 ILE B 31 6.303 -1.929 0.077 1.00 0.00 H new ATOM 0 HG22 ILE B 31 6.769 -3.477 -0.667 1.00 0.00 H new ATOM 0 HG23 ILE B 31 8.012 -2.423 0.046 1.00 0.00 H new ATOM 0 HD11 ILE B 31 6.764 1.577 -0.929 1.00 0.00 H new ATOM 0 HD12 ILE B 31 5.582 0.488 -1.694 1.00 0.00 H new ATOM 0 HD13 ILE B 31 6.198 0.129 -0.064 1.00 0.00 H new ATOM 1475 N ALA B 32 10.531 -1.441 -2.841 1.00 0.00 N ATOM 1476 CA ALA B 32 11.882 -1.154 -2.390 1.00 0.00 C ATOM 1477 C ALA B 32 12.227 0.321 -2.538 1.00 0.00 C ATOM 1478 O ALA B 32 11.977 0.937 -3.572 1.00 0.00 O ATOM 1479 CB ALA B 32 12.888 -2.015 -3.136 1.00 0.00 C ATOM 0 H ALA B 32 10.279 -1.014 -3.733 1.00 0.00 H new ATOM 0 HA ALA B 32 11.931 -1.396 -1.328 1.00 0.00 H new ATOM 0 HB1 ALA B 32 13.894 -1.786 -2.785 1.00 0.00 H new ATOM 0 HB2 ALA B 32 12.671 -3.068 -2.955 1.00 0.00 H new ATOM 0 HB3 ALA B 32 12.821 -1.810 -4.204 1.00 0.00 H new ATOM 1485 N TRP B 33 12.799 0.873 -1.486 1.00 0.00 N ATOM 1486 CA TRP B 33 13.203 2.266 -1.453 1.00 0.00 C ATOM 1487 C TRP B 33 14.726 2.355 -1.391 1.00 0.00 C ATOM 1488 O TRP B 33 15.385 1.498 -0.786 1.00 0.00 O ATOM 1489 CB TRP B 33 12.562 2.939 -0.223 1.00 0.00 C ATOM 1490 CG TRP B 33 12.953 4.381 0.030 1.00 0.00 C ATOM 1491 CD1 TRP B 33 12.174 5.494 -0.120 1.00 0.00 C ATOM 1492 CD2 TRP B 33 14.217 4.857 0.505 1.00 0.00 C ATOM 1493 NE1 TRP B 33 12.883 6.618 0.237 1.00 0.00 N ATOM 1494 CE2 TRP B 33 14.136 6.249 0.621 1.00 0.00 C ATOM 1495 CE3 TRP B 33 15.405 4.229 0.839 1.00 0.00 C ATOM 1496 CZ2 TRP B 33 15.205 7.022 1.062 1.00 0.00 C ATOM 1497 CZ3 TRP B 33 16.469 4.982 1.263 1.00 0.00 C ATOM 1498 CH2 TRP B 33 16.365 6.376 1.379 1.00 0.00 C ATOM 0 H TRP B 33 12.998 0.365 -0.624 1.00 0.00 H new ATOM 0 HA TRP B 33 12.868 2.780 -2.354 1.00 0.00 H new ATOM 0 HB2 TRP B 33 11.479 2.892 -0.332 1.00 0.00 H new ATOM 0 HB3 TRP B 33 12.819 2.354 0.660 1.00 0.00 H new ATOM 0 HD1 TRP B 33 11.152 5.492 -0.468 1.00 0.00 H new ATOM 0 HE1 TRP B 33 12.527 7.574 0.217 1.00 0.00 H new ATOM 0 HE3 TRP B 33 15.493 3.155 0.766 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 15.120 8.095 1.150 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 17.401 4.495 1.511 1.00 0.00 H new ATOM 0 HH2 TRP B 33 17.215 6.946 1.724 1.00 0.00 H new ATOM 1509 N ALA B 34 15.275 3.383 -2.019 1.00 0.00 N ATOM 1510 CA ALA B 34 16.710 3.626 -2.012 1.00 0.00 C ATOM 1511 C ALA B 34 16.960 5.120 -1.925 1.00 0.00 C ATOM 1512 O ALA B 34 16.111 5.892 -2.338 1.00 0.00 O ATOM 1513 CB ALA B 34 17.355 3.059 -3.242 1.00 0.00 C ATOM 0 H ALA B 34 14.740 4.072 -2.547 1.00 0.00 H new ATOM 0 HA ALA B 34 17.151 3.130 -1.147 1.00 0.00 H new ATOM 0 HB1 ALA B 34 18.427 3.254 -3.213 1.00 0.00 H new ATOM 0 HB2 ALA B 34 17.182 1.983 -3.281 1.00 0.00 H new ATOM 0 HB3 ALA B 34 16.925 3.528 -4.127 1.00 0.00 H new ATOM 1519 N PRO B 35 18.108 5.560 -1.393 1.00 0.00 N ATOM 1520 CA PRO B 35 18.410 6.981 -1.249 1.00 0.00 C ATOM 1521 C PRO B 35 18.947 7.589 -2.541 1.00 0.00 C ATOM 1522 O PRO B 35 18.551 7.165 -3.634 1.00 0.00 O ATOM 1523 CB PRO B 35 19.486 7.015 -0.150 1.00 0.00 C ATOM 1524 CG PRO B 35 19.832 5.587 0.161 1.00 0.00 C ATOM 1525 CD PRO B 35 19.214 4.731 -0.911 1.00 0.00 C ATOM 0 HA PRO B 35 17.521 7.563 -1.006 1.00 0.00 H new ATOM 0 HB2 PRO B 35 20.367 7.562 -0.488 1.00 0.00 H new ATOM 0 HB3 PRO B 35 19.115 7.526 0.739 1.00 0.00 H new ATOM 0 HG2 PRO B 35 20.913 5.451 0.185 1.00 0.00 H new ATOM 0 HG3 PRO B 35 19.453 5.305 1.143 1.00 0.00 H new ATOM 0 HD2 PRO B 35 19.924 4.503 -1.706 1.00 0.00 H new ATOM 0 HD3 PRO B 35 18.862 3.778 -0.515 1.00 0.00 H new ATOM 1533 N GLU B 36 19.774 8.633 -2.386 1.00 0.00 N ATOM 1534 CA GLU B 36 20.432 9.341 -3.494 1.00 0.00 C ATOM 1535 C GLU B 36 20.611 8.447 -4.719 1.00 0.00 C ATOM 1536 O GLU B 36 20.083 8.738 -5.798 1.00 0.00 O ATOM 1537 CB GLU B 36 21.795 9.884 -3.035 1.00 0.00 C ATOM 1538 CG GLU B 36 22.296 9.293 -1.718 1.00 0.00 C ATOM 1539 CD GLU B 36 23.044 7.982 -1.896 1.00 0.00 C ATOM 1540 OE1 GLU B 36 22.391 6.942 -2.129 1.00 0.00 O ATOM 1541 OE2 GLU B 36 24.288 7.985 -1.811 1.00 0.00 O ATOM 0 H GLU B 36 20.009 9.016 -1.470 1.00 0.00 H new ATOM 0 HA GLU B 36 19.786 10.170 -3.784 1.00 0.00 H new ATOM 0 HB2 GLU B 36 22.533 9.686 -3.813 1.00 0.00 H new ATOM 0 HB3 GLU B 36 21.725 10.967 -2.931 1.00 0.00 H new ATOM 0 HG2 GLU B 36 22.951 10.014 -1.230 1.00 0.00 H new ATOM 0 HG3 GLU B 36 21.447 9.132 -1.053 1.00 0.00 H new ATOM 1548 N GLY B 37 21.323 7.350 -4.538 1.00 0.00 N ATOM 1549 CA GLY B 37 21.532 6.417 -5.617 1.00 0.00 C ATOM 1550 C GLY B 37 20.559 5.262 -5.523 1.00 0.00 C ATOM 1551 O GLY B 37 20.296 4.753 -4.437 1.00 0.00 O ATOM 0 H GLY B 37 21.763 7.088 -3.656 1.00 0.00 H new ATOM 0 HA2 GLY B 37 21.409 6.926 -6.573 1.00 0.00 H new ATOM 0 HA3 GLY B 37 22.555 6.041 -5.586 1.00 0.00 H new ATOM 1555 N LYS B 38 19.988 4.869 -6.644 1.00 0.00 N ATOM 1556 CA LYS B 38 19.044 3.760 -6.657 1.00 0.00 C ATOM 1557 C LYS B 38 19.745 2.467 -7.027 1.00 0.00 C ATOM 1558 O LYS B 38 19.134 1.400 -7.044 1.00 0.00 O ATOM 1559 CB LYS B 38 17.906 4.013 -7.629 1.00 0.00 C ATOM 1560 CG LYS B 38 17.058 5.229 -7.283 1.00 0.00 C ATOM 1561 CD LYS B 38 17.604 6.498 -7.919 1.00 0.00 C ATOM 1562 CE LYS B 38 16.972 7.740 -7.309 1.00 0.00 C ATOM 1563 NZ LYS B 38 17.479 8.006 -5.936 1.00 0.00 N ATOM 0 H LYS B 38 20.157 5.296 -7.555 1.00 0.00 H new ATOM 0 HA LYS B 38 18.630 3.673 -5.652 1.00 0.00 H new ATOM 0 HB2 LYS B 38 18.318 4.143 -8.630 1.00 0.00 H new ATOM 0 HB3 LYS B 38 17.265 3.132 -7.660 1.00 0.00 H new ATOM 0 HG2 LYS B 38 16.034 5.066 -7.619 1.00 0.00 H new ATOM 0 HG3 LYS B 38 17.022 5.351 -6.200 1.00 0.00 H new ATOM 0 HD2 LYS B 38 18.685 6.536 -7.788 1.00 0.00 H new ATOM 0 HD3 LYS B 38 17.413 6.480 -8.992 1.00 0.00 H new ATOM 0 HE2 LYS B 38 17.178 8.601 -7.945 1.00 0.00 H new ATOM 0 HE3 LYS B 38 15.889 7.618 -7.278 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 16.728 8.449 -5.368 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 17.766 7.110 -5.492 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 18.298 8.645 -5.986 1.00 0.00 H new ATOM 1577 N ASP B 39 21.032 2.574 -7.327 1.00 0.00 N ATOM 1578 CA ASP B 39 21.845 1.416 -7.673 1.00 0.00 C ATOM 1579 C ASP B 39 22.064 0.581 -6.423 1.00 0.00 C ATOM 1580 O ASP B 39 22.560 -0.544 -6.472 1.00 0.00 O ATOM 1581 CB ASP B 39 23.188 1.864 -8.256 1.00 0.00 C ATOM 1582 CG ASP B 39 23.862 2.911 -7.394 1.00 0.00 C ATOM 1583 OD1 ASP B 39 23.350 4.051 -7.335 1.00 0.00 O ATOM 1584 OD2 ASP B 39 24.884 2.596 -6.756 1.00 0.00 O ATOM 0 H ASP B 39 21.539 3.459 -7.338 1.00 0.00 H new ATOM 0 HA ASP B 39 21.331 0.819 -8.427 1.00 0.00 H new ATOM 0 HB2 ASP B 39 23.845 1.000 -8.357 1.00 0.00 H new ATOM 0 HB3 ASP B 39 23.032 2.265 -9.258 1.00 0.00 H new ATOM 1589 N ARG B 40 21.664 1.158 -5.300 1.00 0.00 N ATOM 1590 CA ARG B 40 21.766 0.507 -4.008 1.00 0.00 C ATOM 1591 C ARG B 40 20.481 0.755 -3.236 1.00 0.00 C ATOM 1592 O ARG B 40 20.140 1.898 -2.946 1.00 0.00 O ATOM 1593 CB ARG B 40 22.975 1.007 -3.183 1.00 0.00 C ATOM 1594 CG ARG B 40 23.751 2.186 -3.776 1.00 0.00 C ATOM 1595 CD ARG B 40 22.920 3.464 -3.822 1.00 0.00 C ATOM 1596 NE ARG B 40 23.654 4.661 -3.385 1.00 0.00 N ATOM 1597 CZ ARG B 40 24.730 5.173 -3.999 1.00 0.00 C ATOM 1598 NH1 ARG B 40 25.235 4.607 -5.090 1.00 0.00 N ATOM 1599 NH2 ARG B 40 25.284 6.285 -3.532 1.00 0.00 N ATOM 0 H ARG B 40 21.259 2.093 -5.262 1.00 0.00 H new ATOM 0 HA ARG B 40 21.919 -0.558 -4.180 1.00 0.00 H new ATOM 0 HB2 ARG B 40 22.621 1.292 -2.193 1.00 0.00 H new ATOM 0 HB3 ARG B 40 23.666 0.175 -3.047 1.00 0.00 H new ATOM 0 HG2 ARG B 40 24.649 2.361 -3.184 1.00 0.00 H new ATOM 0 HG3 ARG B 40 24.078 1.932 -4.784 1.00 0.00 H new ATOM 0 HD2 ARG B 40 22.563 3.619 -4.840 1.00 0.00 H new ATOM 0 HD3 ARG B 40 22.040 3.338 -3.192 1.00 0.00 H new ATOM 0 HE ARG B 40 23.318 5.139 -2.549 1.00 0.00 H new ATOM 0 HH11 ARG B 40 24.803 3.767 -5.475 1.00 0.00 H new ATOM 0 HH12 ARG B 40 26.054 5.012 -5.542 1.00 0.00 H new ATOM 0 HH21 ARG B 40 24.891 6.745 -2.711 1.00 0.00 H new ATOM 0 HH22 ARG B 40 26.103 6.680 -3.994 1.00 0.00 H new ATOM 1613 N PHE B 41 19.776 -0.312 -2.897 1.00 0.00 N ATOM 1614 CA PHE B 41 18.523 -0.189 -2.167 1.00 0.00 C ATOM 1615 C PHE B 41 18.764 -0.268 -0.669 1.00 0.00 C ATOM 1616 O PHE B 41 19.788 -0.781 -0.222 1.00 0.00 O ATOM 1617 CB PHE B 41 17.533 -1.271 -2.605 1.00 0.00 C ATOM 1618 CG PHE B 41 16.926 -1.015 -3.957 1.00 0.00 C ATOM 1619 CD1 PHE B 41 15.857 -0.145 -4.096 1.00 0.00 C ATOM 1620 CD2 PHE B 41 17.425 -1.643 -5.087 1.00 0.00 C ATOM 1621 CE1 PHE B 41 15.296 0.093 -5.336 1.00 0.00 C ATOM 1622 CE2 PHE B 41 16.869 -1.409 -6.330 1.00 0.00 C ATOM 1623 CZ PHE B 41 15.803 -0.539 -6.455 1.00 0.00 C ATOM 0 H PHE B 41 20.048 -1.271 -3.114 1.00 0.00 H new ATOM 0 HA PHE B 41 18.092 0.786 -2.396 1.00 0.00 H new ATOM 0 HB2 PHE B 41 18.043 -2.234 -2.621 1.00 0.00 H new ATOM 0 HB3 PHE B 41 16.736 -1.344 -1.865 1.00 0.00 H new ATOM 0 HD1 PHE B 41 15.457 0.353 -3.225 1.00 0.00 H new ATOM 0 HD2 PHE B 41 18.259 -2.324 -4.995 1.00 0.00 H new ATOM 0 HE1 PHE B 41 14.462 0.772 -5.430 1.00 0.00 H new ATOM 0 HE2 PHE B 41 17.267 -1.905 -7.203 1.00 0.00 H new ATOM 0 HZ PHE B 41 15.367 -0.353 -7.425 1.00 0.00 H new ATOM 1633 N THR B 42 17.823 0.251 0.100 1.00 0.00 N ATOM 1634 CA THR B 42 17.933 0.243 1.547 1.00 0.00 C ATOM 1635 C THR B 42 16.813 -0.572 2.184 1.00 0.00 C ATOM 1636 O THR B 42 17.056 -1.430 3.031 1.00 0.00 O ATOM 1637 CB THR B 42 17.897 1.681 2.098 1.00 0.00 C ATOM 1638 OG1 THR B 42 19.043 2.404 1.637 1.00 0.00 O ATOM 1639 CG2 THR B 42 17.852 1.696 3.619 1.00 0.00 C ATOM 0 H THR B 42 16.971 0.685 -0.256 1.00 0.00 H new ATOM 0 HA THR B 42 18.887 -0.220 1.800 1.00 0.00 H new ATOM 0 HB THR B 42 16.989 2.160 1.732 1.00 0.00 H new ATOM 0 HG1 THR B 42 19.016 3.319 1.988 1.00 0.00 H new ATOM 0 HG21 THR B 42 17.827 2.727 3.972 1.00 0.00 H new ATOM 0 HG22 THR B 42 16.959 1.174 3.962 1.00 0.00 H new ATOM 0 HG23 THR B 42 18.738 1.198 4.014 1.00 0.00 H new ATOM 1647 N ILE B 43 15.587 -0.315 1.759 1.00 0.00 N ATOM 1648 CA ILE B 43 14.435 -1.004 2.313 1.00 0.00 C ATOM 1649 C ILE B 43 13.684 -1.768 1.229 1.00 0.00 C ATOM 1650 O ILE B 43 13.169 -1.173 0.287 1.00 0.00 O ATOM 1651 CB ILE B 43 13.491 0.009 2.995 1.00 0.00 C ATOM 1652 CG1 ILE B 43 14.131 0.543 4.275 1.00 0.00 C ATOM 1653 CG2 ILE B 43 12.135 -0.612 3.298 1.00 0.00 C ATOM 1654 CD1 ILE B 43 13.467 1.794 4.799 1.00 0.00 C ATOM 0 H ILE B 43 15.365 0.366 1.032 1.00 0.00 H new ATOM 0 HA ILE B 43 14.789 -1.721 3.054 1.00 0.00 H new ATOM 0 HB ILE B 43 13.329 0.837 2.305 1.00 0.00 H new ATOM 0 HG12 ILE B 43 14.091 -0.230 5.043 1.00 0.00 H new ATOM 0 HG13 ILE B 43 15.184 0.751 4.087 1.00 0.00 H new ATOM 0 HG21 ILE B 43 11.495 0.128 3.778 1.00 0.00 H new ATOM 0 HG22 ILE B 43 11.672 -0.945 2.369 1.00 0.00 H new ATOM 0 HG23 ILE B 43 12.266 -1.465 3.964 1.00 0.00 H new ATOM 0 HD11 ILE B 43 13.971 2.119 5.709 1.00 0.00 H new ATOM 0 HD12 ILE B 43 13.530 2.581 4.048 1.00 0.00 H new ATOM 0 HD13 ILE B 43 12.420 1.585 5.019 1.00 0.00 H new ATOM 1666 N SER B 44 13.662 -3.088 1.349 1.00 0.00 N ATOM 1667 CA SER B 44 12.968 -3.937 0.393 1.00 0.00 C ATOM 1668 C SER B 44 12.018 -4.888 1.114 1.00 0.00 C ATOM 1669 O SER B 44 12.444 -5.669 1.964 1.00 0.00 O ATOM 1670 CB SER B 44 13.980 -4.723 -0.442 1.00 0.00 C ATOM 1671 OG SER B 44 14.969 -3.859 -0.974 1.00 0.00 O ATOM 0 H SER B 44 14.121 -3.596 2.105 1.00 0.00 H new ATOM 0 HA SER B 44 12.380 -3.306 -0.273 1.00 0.00 H new ATOM 0 HB2 SER B 44 14.452 -5.488 0.175 1.00 0.00 H new ATOM 0 HB3 SER B 44 13.467 -5.239 -1.253 1.00 0.00 H new ATOM 0 HG SER B 44 15.608 -4.380 -1.503 1.00 0.00 H new ATOM 1677 N HIS B 45 10.738 -4.818 0.778 1.00 0.00 N ATOM 1678 CA HIS B 45 9.736 -5.669 1.392 1.00 0.00 C ATOM 1679 C HIS B 45 8.766 -6.148 0.347 1.00 0.00 C ATOM 1680 O HIS B 45 8.361 -5.396 -0.540 1.00 0.00 O ATOM 1681 CB HIS B 45 8.968 -4.932 2.497 1.00 0.00 C ATOM 1682 CG HIS B 45 9.807 -4.542 3.672 1.00 0.00 C ATOM 1683 ND1 HIS B 45 10.294 -5.434 4.602 1.00 0.00 N ATOM 1684 CD2 HIS B 45 10.255 -3.323 4.050 1.00 0.00 C ATOM 1685 CE1 HIS B 45 11.010 -4.741 5.497 1.00 0.00 C ATOM 1686 NE2 HIS B 45 11.018 -3.455 5.205 1.00 0.00 N ATOM 0 H HIS B 45 10.370 -4.174 0.078 1.00 0.00 H new ATOM 0 HA HIS B 45 10.251 -6.517 1.843 1.00 0.00 H new ATOM 0 HB2 HIS B 45 8.516 -4.035 2.074 1.00 0.00 H new ATOM 0 HB3 HIS B 45 8.152 -5.567 2.842 1.00 0.00 H new ATOM 0 HD2 HIS B 45 10.052 -2.395 3.536 1.00 0.00 H new ATOM 0 HE1 HIS B 45 11.514 -5.178 6.346 1.00 0.00 H new ATOM 0 HE2 HIS B 45 11.487 -2.710 5.720 1.00 0.00 H new ATOM 1694 N MET B 46 8.410 -7.400 0.441 1.00 0.00 N ATOM 1695 CA MET B 46 7.474 -7.980 -0.481 1.00 0.00 C ATOM 1696 C MET B 46 6.071 -7.617 -0.038 1.00 0.00 C ATOM 1697 O MET B 46 5.820 -7.453 1.153 1.00 0.00 O ATOM 1698 CB MET B 46 7.652 -9.491 -0.518 1.00 0.00 C ATOM 1699 CG MET B 46 8.771 -9.956 -1.433 1.00 0.00 C ATOM 1700 SD MET B 46 8.433 -11.564 -2.175 1.00 0.00 S ATOM 1701 CE MET B 46 7.247 -11.099 -3.433 1.00 0.00 C ATOM 0 H MET B 46 8.758 -8.042 1.153 1.00 0.00 H new ATOM 0 HA MET B 46 7.647 -7.594 -1.486 1.00 0.00 H new ATOM 0 HB2 MET B 46 7.850 -9.849 0.492 1.00 0.00 H new ATOM 0 HB3 MET B 46 6.717 -9.949 -0.841 1.00 0.00 H new ATOM 0 HG2 MET B 46 8.920 -9.219 -2.222 1.00 0.00 H new ATOM 0 HG3 MET B 46 9.701 -10.009 -0.867 1.00 0.00 H new ATOM 0 HE1 MET B 46 7.123 -11.921 -4.138 1.00 0.00 H new ATOM 0 HE2 MET B 46 6.289 -10.875 -2.965 1.00 0.00 H new ATOM 0 HE3 MET B 46 7.606 -10.217 -3.963 1.00 0.00 H new ATOM 1711 N TYR B 47 5.165 -7.480 -0.989 1.00 0.00 N ATOM 1712 CA TYR B 47 3.775 -7.124 -0.687 1.00 0.00 C ATOM 1713 C TYR B 47 3.114 -8.164 0.223 1.00 0.00 C ATOM 1714 O TYR B 47 2.046 -7.933 0.777 1.00 0.00 O ATOM 1715 CB TYR B 47 2.972 -6.955 -1.979 1.00 0.00 C ATOM 1716 CG TYR B 47 3.524 -5.884 -2.896 1.00 0.00 C ATOM 1717 CD1 TYR B 47 4.160 -4.763 -2.379 1.00 0.00 C ATOM 1718 CD2 TYR B 47 3.421 -6.000 -4.277 1.00 0.00 C ATOM 1719 CE1 TYR B 47 4.677 -3.789 -3.209 1.00 0.00 C ATOM 1720 CE2 TYR B 47 3.939 -5.029 -5.114 1.00 0.00 C ATOM 1721 CZ TYR B 47 4.566 -3.926 -4.573 1.00 0.00 C ATOM 1722 OH TYR B 47 5.090 -2.961 -5.398 1.00 0.00 O ATOM 0 H TYR B 47 5.360 -7.609 -1.982 1.00 0.00 H new ATOM 0 HA TYR B 47 3.785 -6.174 -0.153 1.00 0.00 H new ATOM 0 HB2 TYR B 47 2.953 -7.905 -2.513 1.00 0.00 H new ATOM 0 HB3 TYR B 47 1.940 -6.710 -1.727 1.00 0.00 H new ATOM 0 HD1 TYR B 47 4.252 -4.651 -1.309 1.00 0.00 H new ATOM 0 HD2 TYR B 47 2.929 -6.862 -4.703 1.00 0.00 H new ATOM 0 HE1 TYR B 47 5.167 -2.923 -2.789 1.00 0.00 H new ATOM 0 HE2 TYR B 47 3.853 -5.134 -6.185 1.00 0.00 H new ATOM 0 HH TYR B 47 5.548 -3.388 -6.152 1.00 0.00 H new ATOM 1732 N ALA B 48 3.764 -9.309 0.359 1.00 0.00 N ATOM 1733 CA ALA B 48 3.281 -10.385 1.209 1.00 0.00 C ATOM 1734 C ALA B 48 3.641 -10.132 2.674 1.00 0.00 C ATOM 1735 O ALA B 48 3.025 -10.696 3.577 1.00 0.00 O ATOM 1736 CB ALA B 48 3.863 -11.713 0.748 1.00 0.00 C ATOM 0 H ALA B 48 4.641 -9.518 -0.117 1.00 0.00 H new ATOM 0 HA ALA B 48 2.195 -10.422 1.129 1.00 0.00 H new ATOM 0 HB1 ALA B 48 3.496 -12.514 1.390 1.00 0.00 H new ATOM 0 HB2 ALA B 48 3.560 -11.905 -0.281 1.00 0.00 H new ATOM 0 HB3 ALA B 48 4.951 -11.673 0.804 1.00 0.00 H new ATOM 1742 N ASP B 49 4.643 -9.283 2.904 1.00 0.00 N ATOM 1743 CA ASP B 49 5.078 -8.964 4.259 1.00 0.00 C ATOM 1744 C ASP B 49 4.362 -7.720 4.750 1.00 0.00 C ATOM 1745 O ASP B 49 4.350 -7.420 5.946 1.00 0.00 O ATOM 1746 CB ASP B 49 6.593 -8.715 4.318 1.00 0.00 C ATOM 1747 CG ASP B 49 7.407 -9.698 3.499 1.00 0.00 C ATOM 1748 OD1 ASP B 49 7.306 -10.917 3.755 1.00 0.00 O ATOM 1749 OD2 ASP B 49 8.159 -9.247 2.608 1.00 0.00 O ATOM 0 H ASP B 49 5.166 -8.806 2.170 1.00 0.00 H new ATOM 0 HA ASP B 49 4.837 -9.817 4.893 1.00 0.00 H new ATOM 0 HB2 ASP B 49 6.800 -7.704 3.966 1.00 0.00 H new ATOM 0 HB3 ASP B 49 6.920 -8.764 5.357 1.00 0.00 H new ATOM 1754 N ILE B 50 3.772 -6.992 3.815 1.00 0.00 N ATOM 1755 CA ILE B 50 3.064 -5.772 4.141 1.00 0.00 C ATOM 1756 C ILE B 50 1.657 -6.107 4.618 1.00 0.00 C ATOM 1757 O ILE B 50 0.888 -6.749 3.907 1.00 0.00 O ATOM 1758 CB ILE B 50 2.973 -4.809 2.937 1.00 0.00 C ATOM 1759 CG1 ILE B 50 4.166 -4.978 1.987 1.00 0.00 C ATOM 1760 CG2 ILE B 50 2.909 -3.377 3.434 1.00 0.00 C ATOM 1761 CD1 ILE B 50 5.464 -4.391 2.499 1.00 0.00 C ATOM 0 H ILE B 50 3.772 -7.229 2.823 1.00 0.00 H new ATOM 0 HA ILE B 50 3.627 -5.272 4.929 1.00 0.00 H new ATOM 0 HB ILE B 50 2.067 -5.049 2.380 1.00 0.00 H new ATOM 0 HG12 ILE B 50 4.313 -6.041 1.795 1.00 0.00 H new ATOM 0 HG13 ILE B 50 3.923 -4.512 1.032 1.00 0.00 H new ATOM 0 HG21 ILE B 50 2.845 -2.699 2.583 1.00 0.00 H new ATOM 0 HG22 ILE B 50 2.030 -3.250 4.066 1.00 0.00 H new ATOM 0 HG23 ILE B 50 3.806 -3.152 4.011 1.00 0.00 H new ATOM 0 HD11 ILE B 50 6.253 -4.556 1.765 1.00 0.00 H new ATOM 0 HD12 ILE B 50 5.339 -3.321 2.664 1.00 0.00 H new ATOM 0 HD13 ILE B 50 5.736 -4.873 3.438 1.00 0.00 H new ATOM 1773 N LYS B 51 1.334 -5.672 5.824 1.00 0.00 N ATOM 1774 CA LYS B 51 0.032 -5.928 6.417 1.00 0.00 C ATOM 1775 C LYS B 51 -0.992 -4.920 5.928 1.00 0.00 C ATOM 1776 O LYS B 51 -2.039 -5.279 5.393 1.00 0.00 O ATOM 1777 CB LYS B 51 0.133 -5.850 7.941 1.00 0.00 C ATOM 1778 CG LYS B 51 -1.145 -6.246 8.649 1.00 0.00 C ATOM 1779 CD LYS B 51 -1.667 -5.143 9.545 1.00 0.00 C ATOM 1780 CE LYS B 51 -3.134 -5.373 9.862 1.00 0.00 C ATOM 1781 NZ LYS B 51 -3.743 -4.243 10.626 1.00 0.00 N ATOM 0 H LYS B 51 1.964 -5.133 6.418 1.00 0.00 H new ATOM 0 HA LYS B 51 -0.290 -6.926 6.119 1.00 0.00 H new ATOM 0 HB2 LYS B 51 0.942 -6.498 8.278 1.00 0.00 H new ATOM 0 HB3 LYS B 51 0.399 -4.833 8.229 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -1.904 -6.501 7.910 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -0.966 -7.141 9.244 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -1.089 -5.111 10.468 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -1.540 -4.177 9.056 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -3.684 -5.516 8.932 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -3.237 -6.293 10.438 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -4.763 -4.412 10.742 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -3.295 -4.175 11.562 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -3.596 -3.354 10.107 1.00 0.00 H new ATOM 1795 N CYS B 52 -0.677 -3.656 6.138 1.00 0.00 N ATOM 1796 CA CYS B 52 -1.541 -2.559 5.743 1.00 0.00 C ATOM 1797 C CYS B 52 -0.691 -1.341 5.446 1.00 0.00 C ATOM 1798 O CYS B 52 0.538 -1.399 5.499 1.00 0.00 O ATOM 1799 CB CYS B 52 -2.553 -2.241 6.851 1.00 0.00 C ATOM 1800 SG CYS B 52 -3.816 -3.515 7.088 1.00 0.00 S ATOM 0 H CYS B 52 0.189 -3.360 6.589 1.00 0.00 H new ATOM 0 HA CYS B 52 -2.097 -2.845 4.850 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -2.016 -2.099 7.789 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -3.045 -1.296 6.619 1.00 0.00 H new ATOM 0 HG CYS B 52 -3.450 -4.606 6.484 1.00 0.00 H new ATOM 1806 N GLN B 53 -1.337 -0.245 5.128 1.00 0.00 N ATOM 1807 CA GLN B 53 -0.636 0.976 4.817 1.00 0.00 C ATOM 1808 C GLN B 53 -1.174 2.099 5.682 1.00 0.00 C ATOM 1809 O GLN B 53 -2.109 1.904 6.446 1.00 0.00 O ATOM 1810 CB GLN B 53 -0.795 1.331 3.329 1.00 0.00 C ATOM 1811 CG GLN B 53 -0.740 0.137 2.381 1.00 0.00 C ATOM 1812 CD GLN B 53 -2.083 -0.562 2.216 1.00 0.00 C ATOM 1813 OE1 GLN B 53 -2.436 -1.444 2.986 1.00 0.00 O ATOM 1814 NE2 GLN B 53 -2.834 -0.194 1.196 1.00 0.00 N ATOM 0 H GLN B 53 -2.353 -0.175 5.078 1.00 0.00 H new ATOM 0 HA GLN B 53 0.426 0.836 5.021 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -1.747 1.844 3.191 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -0.011 2.035 3.051 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -0.390 0.473 1.405 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -0.008 -0.580 2.753 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -2.516 0.545 0.569 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -3.733 -0.648 1.035 1.00 0.00 H new ATOM 1823 N LYS B 54 -0.557 3.254 5.582 1.00 0.00 N ATOM 1824 CA LYS B 54 -0.979 4.440 6.298 1.00 0.00 C ATOM 1825 C LYS B 54 -0.542 5.620 5.476 1.00 0.00 C ATOM 1826 O LYS B 54 0.528 5.589 4.876 1.00 0.00 O ATOM 1827 CB LYS B 54 -0.401 4.502 7.708 1.00 0.00 C ATOM 1828 CG LYS B 54 -1.173 3.664 8.706 1.00 0.00 C ATOM 1829 CD LYS B 54 -1.091 4.237 10.105 1.00 0.00 C ATOM 1830 CE LYS B 54 -1.740 3.305 11.104 1.00 0.00 C ATOM 1831 NZ LYS B 54 -3.220 3.335 11.016 1.00 0.00 N ATOM 0 H LYS B 54 0.263 3.400 4.994 1.00 0.00 H new ATOM 0 HA LYS B 54 -2.061 4.432 6.429 1.00 0.00 H new ATOM 0 HB2 LYS B 54 0.635 4.164 7.684 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -0.391 5.539 8.044 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -2.217 3.603 8.399 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -0.781 2.647 8.706 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -0.048 4.399 10.376 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -1.583 5.209 10.134 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -1.388 2.288 10.932 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -1.432 3.583 12.112 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -3.597 2.379 11.175 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -3.598 3.981 11.738 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -3.505 3.667 10.072 1.00 0.00 H new ATOM 1845 N ILE B 55 -1.355 6.643 5.408 1.00 0.00 N ATOM 1846 CA ILE B 55 -1.020 7.778 4.575 1.00 0.00 C ATOM 1847 C ILE B 55 -1.324 9.099 5.217 1.00 0.00 C ATOM 1848 O ILE B 55 -2.145 9.182 6.118 1.00 0.00 O ATOM 1849 CB ILE B 55 -1.830 7.727 3.273 1.00 0.00 C ATOM 1850 CG1 ILE B 55 -3.325 7.828 3.585 1.00 0.00 C ATOM 1851 CG2 ILE B 55 -1.532 6.457 2.523 1.00 0.00 C ATOM 1852 CD1 ILE B 55 -4.198 7.833 2.357 1.00 0.00 C ATOM 0 H ILE B 55 -2.240 6.718 5.909 1.00 0.00 H new ATOM 0 HA ILE B 55 0.054 7.707 4.402 1.00 0.00 H new ATOM 0 HB ILE B 55 -1.546 8.571 2.645 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -3.612 6.991 4.221 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -3.508 8.739 4.155 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -2.113 6.434 1.601 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -0.470 6.417 2.283 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -1.797 5.599 3.141 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -5.244 7.907 2.655 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -3.938 8.686 1.729 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -4.044 6.910 1.797 1.00 0.00 H new ATOM 1864 N SER B 56 -0.643 10.117 4.735 1.00 0.00 N ATOM 1865 CA SER B 56 -0.877 11.472 5.161 1.00 0.00 C ATOM 1866 C SER B 56 -1.951 12.021 4.233 1.00 0.00 C ATOM 1867 O SER B 56 -1.659 12.381 3.090 1.00 0.00 O ATOM 1868 CB SER B 56 0.411 12.281 5.042 1.00 0.00 C ATOM 1869 OG SER B 56 0.898 12.247 3.709 1.00 0.00 O ATOM 0 H SER B 56 0.091 10.023 4.033 1.00 0.00 H new ATOM 0 HA SER B 56 -1.196 11.525 6.202 1.00 0.00 H new ATOM 0 HB2 SER B 56 0.228 13.313 5.343 1.00 0.00 H new ATOM 0 HB3 SER B 56 1.164 11.880 5.721 1.00 0.00 H new ATOM 0 HG SER B 56 0.143 12.266 3.084 1.00 0.00 H new ATOM 1875 N PRO B 57 -3.205 12.049 4.684 1.00 0.00 N ATOM 1876 CA PRO B 57 -4.331 12.483 3.863 1.00 0.00 C ATOM 1877 C PRO B 57 -4.297 13.987 3.542 1.00 0.00 C ATOM 1878 O PRO B 57 -3.263 14.640 3.707 1.00 0.00 O ATOM 1879 CB PRO B 57 -5.554 12.082 4.699 1.00 0.00 C ATOM 1880 CG PRO B 57 -5.016 11.180 5.746 1.00 0.00 C ATOM 1881 CD PRO B 57 -3.647 11.687 6.028 1.00 0.00 C ATOM 0 HA PRO B 57 -4.327 12.022 2.875 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -6.037 12.955 5.138 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -6.303 11.577 4.088 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -5.637 11.202 6.642 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -4.990 10.146 5.401 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -3.654 12.542 6.704 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -3.010 10.927 6.481 1.00 0.00 H new ATOM 1889 N GLU B 58 -5.424 14.531 3.094 1.00 0.00 N ATOM 1890 CA GLU B 58 -5.519 15.946 2.711 1.00 0.00 C ATOM 1891 C GLU B 58 -5.128 16.912 3.834 1.00 0.00 C ATOM 1892 O GLU B 58 -4.755 18.054 3.566 1.00 0.00 O ATOM 1893 CB GLU B 58 -6.930 16.284 2.209 1.00 0.00 C ATOM 1894 CG GLU B 58 -8.049 15.613 2.988 1.00 0.00 C ATOM 1895 CD GLU B 58 -8.449 14.280 2.390 1.00 0.00 C ATOM 1896 OE1 GLU B 58 -7.731 13.286 2.628 1.00 0.00 O ATOM 1897 OE2 GLU B 58 -9.469 14.230 1.676 1.00 0.00 O ATOM 0 H GLU B 58 -6.295 14.012 2.985 1.00 0.00 H new ATOM 0 HA GLU B 58 -4.796 16.082 1.907 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -7.070 17.364 2.253 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -7.009 15.995 1.161 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -7.731 15.465 4.020 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -8.917 16.272 3.013 1.00 0.00 H new ATOM 1904 N GLY B 59 -5.195 16.465 5.080 1.00 0.00 N ATOM 1905 CA GLY B 59 -4.847 17.335 6.191 1.00 0.00 C ATOM 1906 C GLY B 59 -3.366 17.302 6.527 1.00 0.00 C ATOM 1907 O GLY B 59 -2.970 17.602 7.657 1.00 0.00 O ATOM 0 H GLY B 59 -5.482 15.522 5.343 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -5.137 18.358 5.950 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -5.420 17.040 7.070 1.00 0.00 H new ATOM 1911 N LYS B 60 -2.533 16.963 5.551 1.00 0.00 N ATOM 1912 CA LYS B 60 -1.099 16.879 5.783 1.00 0.00 C ATOM 1913 C LYS B 60 -0.289 17.609 4.725 1.00 0.00 C ATOM 1914 O LYS B 60 -0.500 17.433 3.527 1.00 0.00 O ATOM 1915 CB LYS B 60 -0.656 15.419 5.819 1.00 0.00 C ATOM 1916 CG LYS B 60 -0.187 14.960 7.185 1.00 0.00 C ATOM 1917 CD LYS B 60 -1.336 14.916 8.168 1.00 0.00 C ATOM 1918 CE LYS B 60 -0.947 15.485 9.521 1.00 0.00 C ATOM 1919 NZ LYS B 60 -2.084 16.185 10.181 1.00 0.00 N ATOM 0 H LYS B 60 -2.824 16.743 4.598 1.00 0.00 H new ATOM 0 HA LYS B 60 -0.912 17.361 6.742 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -1.485 14.789 5.498 1.00 0.00 H new ATOM 0 HB3 LYS B 60 0.151 15.275 5.100 1.00 0.00 H new ATOM 0 HG2 LYS B 60 0.265 13.971 7.105 1.00 0.00 H new ATOM 0 HG3 LYS B 60 0.586 15.635 7.554 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -2.179 15.479 7.766 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -1.670 13.886 8.290 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -0.595 14.679 10.165 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -0.117 16.180 9.397 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -2.023 16.053 11.211 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -2.042 17.200 9.959 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -2.982 15.792 9.834 1.00 0.00 H new ATOM 1933 N ALA B 61 0.643 18.431 5.191 1.00 0.00 N ATOM 1934 CA ALA B 61 1.539 19.157 4.304 1.00 0.00 C ATOM 1935 C ALA B 61 2.754 18.289 4.025 1.00 0.00 C ATOM 1936 O ALA B 61 3.399 18.397 2.986 1.00 0.00 O ATOM 1937 CB ALA B 61 1.963 20.474 4.926 1.00 0.00 C ATOM 0 H ALA B 61 0.797 18.611 6.183 1.00 0.00 H new ATOM 0 HA ALA B 61 1.022 19.383 3.371 1.00 0.00 H new ATOM 0 HB1 ALA B 61 2.633 20.999 4.245 1.00 0.00 H new ATOM 0 HB2 ALA B 61 1.082 21.088 5.114 1.00 0.00 H new ATOM 0 HB3 ALA B 61 2.479 20.283 5.867 1.00 0.00 H new ATOM 1943 N LYS B 62 3.059 17.432 4.989 1.00 0.00 N ATOM 1944 CA LYS B 62 4.158 16.505 4.878 1.00 0.00 C ATOM 1945 C LYS B 62 3.615 15.225 4.273 1.00 0.00 C ATOM 1946 O LYS B 62 2.832 14.521 4.908 1.00 0.00 O ATOM 1947 CB LYS B 62 4.767 16.234 6.259 1.00 0.00 C ATOM 1948 CG LYS B 62 6.257 16.522 6.335 1.00 0.00 C ATOM 1949 CD LYS B 62 6.772 16.516 7.771 1.00 0.00 C ATOM 1950 CE LYS B 62 6.674 15.142 8.413 1.00 0.00 C ATOM 1951 NZ LYS B 62 7.528 14.137 7.727 1.00 0.00 N ATOM 0 H LYS B 62 2.546 17.366 5.868 1.00 0.00 H new ATOM 0 HA LYS B 62 4.946 16.917 4.248 1.00 0.00 H new ATOM 0 HB2 LYS B 62 4.250 16.843 7.001 1.00 0.00 H new ATOM 0 HB3 LYS B 62 4.593 15.191 6.525 1.00 0.00 H new ATOM 0 HG2 LYS B 62 6.800 15.777 5.753 1.00 0.00 H new ATOM 0 HG3 LYS B 62 6.462 17.492 5.881 1.00 0.00 H new ATOM 0 HD2 LYS B 62 7.810 16.847 7.784 1.00 0.00 H new ATOM 0 HD3 LYS B 62 6.202 17.232 8.362 1.00 0.00 H new ATOM 0 HE2 LYS B 62 6.968 15.211 9.460 1.00 0.00 H new ATOM 0 HE3 LYS B 62 5.637 14.808 8.394 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 6.956 13.302 7.486 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 7.920 14.551 6.857 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 8.306 13.854 8.357 1.00 0.00 H new ATOM 1965 N ILE B 63 4.000 14.943 3.042 1.00 0.00 N ATOM 1966 CA ILE B 63 3.513 13.766 2.353 1.00 0.00 C ATOM 1967 C ILE B 63 4.233 12.533 2.876 1.00 0.00 C ATOM 1968 O ILE B 63 5.433 12.400 2.706 1.00 0.00 O ATOM 1969 CB ILE B 63 3.709 13.899 0.832 1.00 0.00 C ATOM 1970 CG1 ILE B 63 2.919 15.098 0.304 1.00 0.00 C ATOM 1971 CG2 ILE B 63 3.262 12.632 0.122 1.00 0.00 C ATOM 1972 CD1 ILE B 63 3.616 16.436 0.435 1.00 0.00 C ATOM 0 H ILE B 63 4.649 15.514 2.500 1.00 0.00 H new ATOM 0 HA ILE B 63 2.445 13.665 2.545 1.00 0.00 H new ATOM 0 HB ILE B 63 4.770 14.053 0.633 1.00 0.00 H new ATOM 0 HG12 ILE B 63 2.689 14.927 -0.748 1.00 0.00 H new ATOM 0 HG13 ILE B 63 1.968 15.148 0.834 1.00 0.00 H new ATOM 0 HG21 ILE B 63 3.408 12.746 -0.952 1.00 0.00 H new ATOM 0 HG22 ILE B 63 3.850 11.787 0.481 1.00 0.00 H new ATOM 0 HG23 ILE B 63 2.207 12.453 0.327 1.00 0.00 H new ATOM 0 HD11 ILE B 63 2.975 17.221 0.033 1.00 0.00 H new ATOM 0 HD12 ILE B 63 3.821 16.638 1.486 1.00 0.00 H new ATOM 0 HD13 ILE B 63 4.554 16.414 -0.120 1.00 0.00 H new ATOM 1984 N GLN B 64 3.514 11.642 3.536 1.00 0.00 N ATOM 1985 CA GLN B 64 4.137 10.451 4.092 1.00 0.00 C ATOM 1986 C GLN B 64 3.248 9.216 3.980 1.00 0.00 C ATOM 1987 O GLN B 64 2.020 9.303 4.044 1.00 0.00 O ATOM 1988 CB GLN B 64 4.527 10.699 5.552 1.00 0.00 C ATOM 1989 CG GLN B 64 3.674 11.752 6.240 1.00 0.00 C ATOM 1990 CD GLN B 64 4.317 12.295 7.498 1.00 0.00 C ATOM 1991 OE1 GLN B 64 5.542 12.348 7.605 1.00 0.00 O ATOM 1992 NE2 GLN B 64 3.495 12.695 8.456 1.00 0.00 N ATOM 0 H GLN B 64 2.510 11.717 3.700 1.00 0.00 H new ATOM 0 HA GLN B 64 5.032 10.248 3.503 1.00 0.00 H new ATOM 0 HB2 GLN B 64 4.449 9.763 6.104 1.00 0.00 H new ATOM 0 HB3 GLN B 64 5.572 11.007 5.593 1.00 0.00 H new ATOM 0 HG2 GLN B 64 3.490 12.573 5.548 1.00 0.00 H new ATOM 0 HG3 GLN B 64 2.704 11.322 6.489 1.00 0.00 H new ATOM 0 HE21 GLN B 64 2.486 12.632 8.321 1.00 0.00 H new ATOM 0 HE22 GLN B 64 3.871 13.066 9.328 1.00 0.00 H new ATOM 2001 N LEU B 65 3.894 8.074 3.788 1.00 0.00 N ATOM 2002 CA LEU B 65 3.219 6.788 3.665 1.00 0.00 C ATOM 2003 C LEU B 65 3.840 5.782 4.629 1.00 0.00 C ATOM 2004 O LEU B 65 5.027 5.488 4.533 1.00 0.00 O ATOM 2005 CB LEU B 65 3.377 6.248 2.247 1.00 0.00 C ATOM 2006 CG LEU B 65 2.514 5.031 1.904 1.00 0.00 C ATOM 2007 CD1 LEU B 65 1.176 5.444 1.297 1.00 0.00 C ATOM 2008 CD2 LEU B 65 3.277 4.099 0.986 1.00 0.00 C ATOM 0 H LEU B 65 4.909 8.013 3.713 1.00 0.00 H new ATOM 0 HA LEU B 65 2.163 6.930 3.896 1.00 0.00 H new ATOM 0 HB2 LEU B 65 3.142 7.048 1.544 1.00 0.00 H new ATOM 0 HB3 LEU B 65 4.423 5.985 2.092 1.00 0.00 H new ATOM 0 HG LEU B 65 2.288 4.498 2.827 1.00 0.00 H new ATOM 0 HD11 LEU B 65 0.591 4.554 1.066 1.00 0.00 H new ATOM 0 HD12 LEU B 65 0.630 6.063 2.008 1.00 0.00 H new ATOM 0 HD13 LEU B 65 1.351 6.010 0.382 1.00 0.00 H new ATOM 0 HD21 LEU B 65 2.656 3.236 0.747 1.00 0.00 H new ATOM 0 HD22 LEU B 65 3.537 4.625 0.067 1.00 0.00 H new ATOM 0 HD23 LEU B 65 4.188 3.765 1.482 1.00 0.00 H new ATOM 2020 N GLN B 66 3.048 5.251 5.540 1.00 0.00 N ATOM 2021 CA GLN B 66 3.548 4.281 6.499 1.00 0.00 C ATOM 2022 C GLN B 66 3.273 2.855 6.035 1.00 0.00 C ATOM 2023 O GLN B 66 2.122 2.464 5.842 1.00 0.00 O ATOM 2024 CB GLN B 66 2.931 4.508 7.873 1.00 0.00 C ATOM 2025 CG GLN B 66 3.116 3.337 8.831 1.00 0.00 C ATOM 2026 CD GLN B 66 2.330 3.490 10.122 1.00 0.00 C ATOM 2027 OE1 GLN B 66 1.846 2.512 10.686 1.00 0.00 O ATOM 2028 NE2 GLN B 66 2.204 4.710 10.603 1.00 0.00 N ATOM 0 H GLN B 66 2.057 5.473 5.638 1.00 0.00 H new ATOM 0 HA GLN B 66 4.627 4.419 6.571 1.00 0.00 H new ATOM 0 HB2 GLN B 66 3.372 5.401 8.316 1.00 0.00 H new ATOM 0 HB3 GLN B 66 1.865 4.704 7.755 1.00 0.00 H new ATOM 0 HG2 GLN B 66 2.809 2.417 8.333 1.00 0.00 H new ATOM 0 HG3 GLN B 66 4.175 3.234 9.068 1.00 0.00 H new ATOM 0 HE21 GLN B 66 2.619 5.499 10.108 1.00 0.00 H new ATOM 0 HE22 GLN B 66 1.691 4.866 11.471 1.00 0.00 H new ATOM 2037 N LEU B 67 4.335 2.099 5.825 1.00 0.00 N ATOM 2038 CA LEU B 67 4.217 0.711 5.421 1.00 0.00 C ATOM 2039 C LEU B 67 4.057 -0.159 6.651 1.00 0.00 C ATOM 2040 O LEU B 67 5.037 -0.472 7.322 1.00 0.00 O ATOM 2041 CB LEU B 67 5.451 0.257 4.642 1.00 0.00 C ATOM 2042 CG LEU B 67 5.508 0.694 3.183 1.00 0.00 C ATOM 2043 CD1 LEU B 67 6.642 -0.025 2.470 1.00 0.00 C ATOM 2044 CD2 LEU B 67 4.181 0.423 2.490 1.00 0.00 C ATOM 0 H LEU B 67 5.295 2.426 5.929 1.00 0.00 H new ATOM 0 HA LEU B 67 3.345 0.616 4.774 1.00 0.00 H new ATOM 0 HB2 LEU B 67 6.338 0.634 5.150 1.00 0.00 H new ATOM 0 HB3 LEU B 67 5.501 -0.831 4.679 1.00 0.00 H new ATOM 0 HG LEU B 67 5.695 1.767 3.145 1.00 0.00 H new ATOM 0 HD11 LEU B 67 6.676 0.293 1.428 1.00 0.00 H new ATOM 0 HD12 LEU B 67 7.588 0.217 2.954 1.00 0.00 H new ATOM 0 HD13 LEU B 67 6.476 -1.101 2.516 1.00 0.00 H new ATOM 0 HD21 LEU B 67 4.242 0.742 1.449 1.00 0.00 H new ATOM 0 HD22 LEU B 67 3.961 -0.644 2.530 1.00 0.00 H new ATOM 0 HD23 LEU B 67 3.388 0.976 2.993 1.00 0.00 H new ATOM 2056 N VAL B 68 2.830 -0.527 6.959 1.00 0.00 N ATOM 2057 CA VAL B 68 2.561 -1.364 8.113 1.00 0.00 C ATOM 2058 C VAL B 68 2.749 -2.819 7.740 1.00 0.00 C ATOM 2059 O VAL B 68 1.947 -3.384 7.009 1.00 0.00 O ATOM 2060 CB VAL B 68 1.133 -1.159 8.644 1.00 0.00 C ATOM 2061 CG1 VAL B 68 0.970 -1.852 9.982 1.00 0.00 C ATOM 2062 CG2 VAL B 68 0.813 0.320 8.757 1.00 0.00 C ATOM 0 H VAL B 68 2.002 -0.260 6.427 1.00 0.00 H new ATOM 0 HA VAL B 68 3.260 -1.081 8.900 1.00 0.00 H new ATOM 0 HB VAL B 68 0.429 -1.602 7.939 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -0.045 -1.700 10.349 1.00 0.00 H new ATOM 0 HG12 VAL B 68 1.158 -2.919 9.864 1.00 0.00 H new ATOM 0 HG13 VAL B 68 1.680 -1.435 10.696 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -0.202 0.445 9.134 1.00 0.00 H new ATOM 0 HG22 VAL B 68 1.516 0.793 9.443 1.00 0.00 H new ATOM 0 HG23 VAL B 68 0.895 0.786 7.775 1.00 0.00 H new ATOM 2072 N LEU B 69 3.808 -3.423 8.234 1.00 0.00 N ATOM 2073 CA LEU B 69 4.103 -4.810 7.919 1.00 0.00 C ATOM 2074 C LEU B 69 3.569 -5.745 8.993 1.00 0.00 C ATOM 2075 O LEU B 69 3.393 -5.342 10.145 1.00 0.00 O ATOM 2076 CB LEU B 69 5.605 -4.988 7.743 1.00 0.00 C ATOM 2077 CG LEU B 69 6.319 -3.757 7.183 1.00 0.00 C ATOM 2078 CD1 LEU B 69 7.811 -3.957 7.172 1.00 0.00 C ATOM 2079 CD2 LEU B 69 5.838 -3.436 5.785 1.00 0.00 C ATOM 0 H LEU B 69 4.482 -2.977 8.857 1.00 0.00 H new ATOM 0 HA LEU B 69 3.603 -5.068 6.985 1.00 0.00 H new ATOM 0 HB2 LEU B 69 6.045 -5.243 8.707 1.00 0.00 H new ATOM 0 HB3 LEU B 69 5.784 -5.833 7.078 1.00 0.00 H new ATOM 0 HG LEU B 69 6.080 -2.918 7.837 1.00 0.00 H new ATOM 0 HD11 LEU B 69 8.294 -3.067 6.769 1.00 0.00 H new ATOM 0 HD12 LEU B 69 8.162 -4.132 8.189 1.00 0.00 H new ATOM 0 HD13 LEU B 69 8.058 -4.817 6.550 1.00 0.00 H new ATOM 0 HD21 LEU B 69 6.363 -2.556 5.413 1.00 0.00 H new ATOM 0 HD22 LEU B 69 6.037 -4.283 5.128 1.00 0.00 H new ATOM 0 HD23 LEU B 69 4.766 -3.237 5.806 1.00 0.00 H new ATOM 2091 N HIS B 70 3.324 -6.995 8.606 1.00 0.00 N ATOM 2092 CA HIS B 70 2.790 -8.009 9.518 1.00 0.00 C ATOM 2093 C HIS B 70 3.742 -8.270 10.678 1.00 0.00 C ATOM 2094 O HIS B 70 3.314 -8.584 11.787 1.00 0.00 O ATOM 2095 CB HIS B 70 2.543 -9.325 8.772 1.00 0.00 C ATOM 2096 CG HIS B 70 1.406 -9.274 7.802 1.00 0.00 C ATOM 2097 ND1 HIS B 70 1.413 -9.237 6.444 1.00 0.00 N flip ATOM 2098 CD2 HIS B 70 0.085 -9.252 8.172 1.00 0.00 C flip ATOM 2099 CE1 HIS B 70 0.097 -9.191 5.985 1.00 0.00 C flip ATOM 2100 NE2 HIS B 70 -0.656 -9.200 7.066 1.00 0.00 N flip ATOM 0 H HIS B 70 3.488 -7.334 7.658 1.00 0.00 H new ATOM 0 HA HIS B 70 1.849 -7.626 9.913 1.00 0.00 H new ATOM 0 HB2 HIS B 70 3.451 -9.602 8.236 1.00 0.00 H new ATOM 0 HB3 HIS B 70 2.350 -10.112 9.501 1.00 0.00 H new ATOM 0 HD1 HIS B 70 2.246 -9.242 5.855 1.00 0.00 H new ATOM 0 HD2 HIS B 70 -0.289 -9.273 9.185 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -0.235 -9.155 4.958 1.00 0.00 H new ATOM 2108 N ALA B 71 5.034 -8.129 10.407 1.00 0.00 N ATOM 2109 CA ALA B 71 6.069 -8.357 11.408 1.00 0.00 C ATOM 2110 C ALA B 71 5.943 -7.413 12.599 1.00 0.00 C ATOM 2111 O ALA B 71 6.405 -7.729 13.696 1.00 0.00 O ATOM 2112 CB ALA B 71 7.445 -8.209 10.774 1.00 0.00 C ATOM 0 H ALA B 71 5.392 -7.855 9.492 1.00 0.00 H new ATOM 0 HA ALA B 71 5.939 -9.372 11.783 1.00 0.00 H new ATOM 0 HB1 ALA B 71 8.213 -8.381 11.528 1.00 0.00 H new ATOM 0 HB2 ALA B 71 7.556 -8.937 9.971 1.00 0.00 H new ATOM 0 HB3 ALA B 71 7.553 -7.203 10.369 1.00 0.00 H new ATOM 2118 N GLY B 72 5.323 -6.258 12.391 1.00 0.00 N ATOM 2119 CA GLY B 72 5.185 -5.308 13.469 1.00 0.00 C ATOM 2120 C GLY B 72 6.140 -4.170 13.259 1.00 0.00 C ATOM 2121 O GLY B 72 6.626 -3.549 14.202 1.00 0.00 O ATOM 0 H GLY B 72 4.918 -5.967 11.501 1.00 0.00 H new ATOM 0 HA2 GLY B 72 4.162 -4.935 13.510 1.00 0.00 H new ATOM 0 HA3 GLY B 72 5.386 -5.794 14.424 1.00 0.00 H new ATOM 2125 N ASP B 73 6.388 -3.905 11.990 1.00 0.00 N ATOM 2126 CA ASP B 73 7.284 -2.865 11.570 1.00 0.00 C ATOM 2127 C ASP B 73 6.509 -1.961 10.671 1.00 0.00 C ATOM 2128 O ASP B 73 5.761 -2.429 9.814 1.00 0.00 O ATOM 2129 CB ASP B 73 8.481 -3.423 10.799 1.00 0.00 C ATOM 2130 CG ASP B 73 9.486 -2.340 10.449 1.00 0.00 C ATOM 2131 OD1 ASP B 73 9.273 -1.632 9.439 1.00 0.00 O ATOM 2132 OD2 ASP B 73 10.482 -2.193 11.187 1.00 0.00 O ATOM 0 H ASP B 73 5.963 -4.418 11.218 1.00 0.00 H new ATOM 0 HA ASP B 73 7.672 -2.345 12.446 1.00 0.00 H new ATOM 0 HB2 ASP B 73 8.970 -4.193 11.396 1.00 0.00 H new ATOM 0 HB3 ASP B 73 8.132 -3.903 9.885 1.00 0.00 H new ATOM 2137 N THR B 74 6.624 -0.691 10.886 1.00 0.00 N ATOM 2138 CA THR B 74 5.922 0.240 10.062 1.00 0.00 C ATOM 2139 C THR B 74 6.897 1.323 9.589 1.00 0.00 C ATOM 2140 O THR B 74 7.468 2.047 10.407 1.00 0.00 O ATOM 2141 CB THR B 74 4.758 0.864 10.846 1.00 0.00 C ATOM 2142 OG1 THR B 74 5.253 1.542 12.007 1.00 0.00 O ATOM 2143 CG2 THR B 74 3.752 -0.197 11.267 1.00 0.00 C ATOM 0 H THR B 74 7.195 -0.275 11.622 1.00 0.00 H new ATOM 0 HA THR B 74 5.509 -0.274 9.194 1.00 0.00 H new ATOM 0 HB THR B 74 4.257 1.578 10.193 1.00 0.00 H new ATOM 0 HG1 THR B 74 6.160 1.869 11.833 1.00 0.00 H new ATOM 0 HG21 THR B 74 2.938 0.272 11.820 1.00 0.00 H new ATOM 0 HG22 THR B 74 3.351 -0.690 10.381 1.00 0.00 H new ATOM 0 HG23 THR B 74 4.244 -0.934 11.901 1.00 0.00 H new ATOM 2151 N THR B 75 7.088 1.439 8.284 1.00 0.00 N ATOM 2152 CA THR B 75 8.019 2.422 7.737 1.00 0.00 C ATOM 2153 C THR B 75 7.287 3.624 7.136 1.00 0.00 C ATOM 2154 O THR B 75 6.554 3.487 6.160 1.00 0.00 O ATOM 2155 CB THR B 75 8.924 1.775 6.666 1.00 0.00 C ATOM 2156 OG1 THR B 75 9.880 0.905 7.288 1.00 0.00 O ATOM 2157 CG2 THR B 75 9.656 2.829 5.846 1.00 0.00 C ATOM 0 H THR B 75 6.614 0.868 7.584 1.00 0.00 H new ATOM 0 HA THR B 75 8.634 2.778 8.563 1.00 0.00 H new ATOM 0 HB THR B 75 8.285 1.200 5.996 1.00 0.00 H new ATOM 0 HG1 THR B 75 10.448 0.498 6.601 1.00 0.00 H new ATOM 0 HG21 THR B 75 10.284 2.339 5.102 1.00 0.00 H new ATOM 0 HG22 THR B 75 8.930 3.469 5.344 1.00 0.00 H new ATOM 0 HG23 THR B 75 10.279 3.434 6.505 1.00 0.00 H new ATOM 2165 N ASN B 76 7.493 4.801 7.720 1.00 0.00 N ATOM 2166 CA ASN B 76 6.855 6.022 7.231 1.00 0.00 C ATOM 2167 C ASN B 76 7.750 6.728 6.214 1.00 0.00 C ATOM 2168 O ASN B 76 8.746 7.351 6.575 1.00 0.00 O ATOM 2169 CB ASN B 76 6.531 6.993 8.383 1.00 0.00 C ATOM 2170 CG ASN B 76 5.514 6.451 9.372 1.00 0.00 C ATOM 2171 OD1 ASN B 76 5.444 5.250 9.619 1.00 0.00 O ATOM 2172 ND2 ASN B 76 4.730 7.345 9.952 1.00 0.00 N ATOM 0 H ASN B 76 8.096 4.936 8.532 1.00 0.00 H new ATOM 0 HA ASN B 76 5.921 5.727 6.752 1.00 0.00 H new ATOM 0 HB2 ASN B 76 7.452 7.230 8.916 1.00 0.00 H new ATOM 0 HB3 ASN B 76 6.155 7.927 7.964 1.00 0.00 H new ATOM 0 HD21 ASN B 76 4.033 7.046 10.634 1.00 0.00 H new ATOM 0 HD22 ASN B 76 4.822 8.333 9.717 1.00 0.00 H new ATOM 2179 N PHE B 77 7.395 6.616 4.941 1.00 0.00 N ATOM 2180 CA PHE B 77 8.148 7.256 3.870 1.00 0.00 C ATOM 2181 C PHE B 77 7.736 8.717 3.760 1.00 0.00 C ATOM 2182 O PHE B 77 6.561 9.015 3.568 1.00 0.00 O ATOM 2183 CB PHE B 77 7.895 6.547 2.539 1.00 0.00 C ATOM 2184 CG PHE B 77 8.574 5.214 2.425 1.00 0.00 C ATOM 2185 CD1 PHE B 77 9.943 5.105 2.592 1.00 0.00 C ATOM 2186 CD2 PHE B 77 7.844 4.072 2.145 1.00 0.00 C ATOM 2187 CE1 PHE B 77 10.572 3.882 2.483 1.00 0.00 C ATOM 2188 CE2 PHE B 77 8.468 2.846 2.035 1.00 0.00 C ATOM 2189 CZ PHE B 77 9.835 2.750 2.204 1.00 0.00 C ATOM 0 H PHE B 77 6.585 6.084 4.623 1.00 0.00 H new ATOM 0 HA PHE B 77 9.211 7.192 4.102 1.00 0.00 H new ATOM 0 HB2 PHE B 77 6.821 6.410 2.409 1.00 0.00 H new ATOM 0 HB3 PHE B 77 8.235 7.188 1.726 1.00 0.00 H new ATOM 0 HD1 PHE B 77 10.526 5.988 2.810 1.00 0.00 H new ATOM 0 HD2 PHE B 77 6.775 4.141 2.011 1.00 0.00 H new ATOM 0 HE1 PHE B 77 11.641 3.811 2.616 1.00 0.00 H new ATOM 0 HE2 PHE B 77 7.887 1.962 1.817 1.00 0.00 H new ATOM 0 HZ PHE B 77 10.326 1.792 2.118 1.00 0.00 H new ATOM 2199 N HIS B 78 8.698 9.619 3.874 1.00 0.00 N ATOM 2200 CA HIS B 78 8.424 11.049 3.816 1.00 0.00 C ATOM 2201 C HIS B 78 8.731 11.606 2.429 1.00 0.00 C ATOM 2202 O HIS B 78 9.883 11.822 2.065 1.00 0.00 O ATOM 2203 CB HIS B 78 9.243 11.768 4.894 1.00 0.00 C ATOM 2204 CG HIS B 78 9.153 13.267 4.869 1.00 0.00 C ATOM 2205 ND1 HIS B 78 10.173 14.087 5.291 1.00 0.00 N ATOM 2206 CD2 HIS B 78 8.153 14.096 4.458 1.00 0.00 C ATOM 2207 CE1 HIS B 78 9.786 15.354 5.122 1.00 0.00 C ATOM 2208 NE2 HIS B 78 8.567 15.416 4.619 1.00 0.00 N ATOM 0 H HIS B 78 9.682 9.386 4.008 1.00 0.00 H new ATOM 0 HA HIS B 78 7.364 11.218 4.006 1.00 0.00 H new ATOM 0 HB2 HIS B 78 8.915 11.416 5.872 1.00 0.00 H new ATOM 0 HB3 HIS B 78 10.289 11.480 4.786 1.00 0.00 H new ATOM 0 HD1 HIS B 78 11.070 13.781 5.668 1.00 0.00 H new ATOM 0 HD2 HIS B 78 7.195 13.781 4.071 1.00 0.00 H new ATOM 0 HE1 HIS B 78 10.391 16.215 5.365 1.00 0.00 H new ATOM 2216 N PHE B 79 7.683 11.832 1.665 1.00 0.00 N ATOM 2217 CA PHE B 79 7.800 12.374 0.325 1.00 0.00 C ATOM 2218 C PHE B 79 7.959 13.885 0.419 1.00 0.00 C ATOM 2219 O PHE B 79 7.182 14.562 1.093 1.00 0.00 O ATOM 2220 CB PHE B 79 6.560 12.033 -0.510 1.00 0.00 C ATOM 2221 CG PHE B 79 6.264 10.560 -0.638 1.00 0.00 C ATOM 2222 CD1 PHE B 79 5.997 9.780 0.478 1.00 0.00 C ATOM 2223 CD2 PHE B 79 6.235 9.959 -1.883 1.00 0.00 C ATOM 2224 CE1 PHE B 79 5.715 8.434 0.352 1.00 0.00 C ATOM 2225 CE2 PHE B 79 5.949 8.613 -2.014 1.00 0.00 C ATOM 2226 CZ PHE B 79 5.689 7.852 -0.897 1.00 0.00 C ATOM 0 H PHE B 79 6.723 11.645 1.955 1.00 0.00 H new ATOM 0 HA PHE B 79 8.670 11.935 -0.164 1.00 0.00 H new ATOM 0 HB2 PHE B 79 5.695 12.525 -0.066 1.00 0.00 H new ATOM 0 HB3 PHE B 79 6.687 12.451 -1.509 1.00 0.00 H new ATOM 0 HD1 PHE B 79 6.010 10.232 1.459 1.00 0.00 H new ATOM 0 HD2 PHE B 79 6.438 10.549 -2.764 1.00 0.00 H new ATOM 0 HE1 PHE B 79 5.515 7.839 1.231 1.00 0.00 H new ATOM 0 HE2 PHE B 79 5.930 8.158 -2.993 1.00 0.00 H new ATOM 0 HZ PHE B 79 5.465 6.800 -0.999 1.00 0.00 H new ATOM 2236 N SER B 80 8.958 14.409 -0.259 1.00 0.00 N ATOM 2237 CA SER B 80 9.234 15.835 -0.220 1.00 0.00 C ATOM 2238 C SER B 80 9.203 16.456 -1.614 1.00 0.00 C ATOM 2239 O SER B 80 9.759 17.530 -1.834 1.00 0.00 O ATOM 2240 CB SER B 80 10.593 16.078 0.435 1.00 0.00 C ATOM 2241 OG SER B 80 10.722 15.320 1.627 1.00 0.00 O ATOM 0 H SER B 80 9.595 13.870 -0.846 1.00 0.00 H new ATOM 0 HA SER B 80 8.452 16.314 0.369 1.00 0.00 H new ATOM 0 HB2 SER B 80 11.389 15.810 -0.259 1.00 0.00 H new ATOM 0 HB3 SER B 80 10.709 17.138 0.659 1.00 0.00 H new ATOM 0 HG SER B 80 10.263 15.782 2.360 1.00 0.00 H new ATOM 2247 N ASN B 81 8.548 15.790 -2.555 1.00 0.00 N ATOM 2248 CA ASN B 81 8.439 16.307 -3.904 1.00 0.00 C ATOM 2249 C ASN B 81 7.204 17.190 -3.982 1.00 0.00 C ATOM 2250 O ASN B 81 6.305 16.928 -4.759 1.00 0.00 O ATOM 2251 CB ASN B 81 8.354 15.151 -4.904 1.00 0.00 C ATOM 2252 CG ASN B 81 8.506 15.604 -6.342 1.00 0.00 C ATOM 2253 OD1 ASN B 81 9.172 16.601 -6.627 1.00 0.00 O ATOM 2254 ND2 ASN B 81 7.911 14.862 -7.254 1.00 0.00 N ATOM 0 H ASN B 81 8.086 14.893 -2.406 1.00 0.00 H new ATOM 0 HA ASN B 81 9.320 16.897 -4.156 1.00 0.00 H new ATOM 0 HB2 ASN B 81 9.130 14.421 -4.674 1.00 0.00 H new ATOM 0 HB3 ASN B 81 7.395 14.645 -4.787 1.00 0.00 H new ATOM 0 HD21 ASN B 81 7.992 15.105 -8.241 1.00 0.00 H new ATOM 0 HD22 ASN B 81 7.369 14.045 -6.973 1.00 0.00 H new ATOM 2261 N GLU B 82 7.196 18.218 -3.125 1.00 0.00 N ATOM 2262 CA GLU B 82 6.106 19.204 -2.967 1.00 0.00 C ATOM 2263 C GLU B 82 5.070 19.240 -4.107 1.00 0.00 C ATOM 2264 O GLU B 82 3.869 19.112 -3.861 1.00 0.00 O ATOM 2265 CB GLU B 82 6.705 20.608 -2.730 1.00 0.00 C ATOM 2266 CG GLU B 82 7.394 21.249 -3.938 1.00 0.00 C ATOM 2267 CD GLU B 82 8.481 20.385 -4.551 1.00 0.00 C ATOM 2268 OE1 GLU B 82 9.566 20.256 -3.950 1.00 0.00 O ATOM 2269 OE2 GLU B 82 8.245 19.810 -5.636 1.00 0.00 O ATOM 0 H GLU B 82 7.977 18.398 -2.495 1.00 0.00 H new ATOM 0 HA GLU B 82 5.538 18.871 -2.098 1.00 0.00 H new ATOM 0 HB2 GLU B 82 5.907 21.271 -2.396 1.00 0.00 H new ATOM 0 HB3 GLU B 82 7.427 20.542 -1.916 1.00 0.00 H new ATOM 0 HG2 GLU B 82 6.644 21.468 -4.698 1.00 0.00 H new ATOM 0 HG3 GLU B 82 7.828 22.202 -3.634 1.00 0.00 H new ATOM 2276 N SER B 83 5.533 19.391 -5.338 1.00 0.00 N ATOM 2277 CA SER B 83 4.657 19.472 -6.497 1.00 0.00 C ATOM 2278 C SER B 83 3.790 18.218 -6.688 1.00 0.00 C ATOM 2279 O SER B 83 2.581 18.323 -6.938 1.00 0.00 O ATOM 2280 CB SER B 83 5.503 19.720 -7.747 1.00 0.00 C ATOM 2281 OG SER B 83 6.710 18.975 -7.698 1.00 0.00 O ATOM 0 H SER B 83 6.526 19.461 -5.562 1.00 0.00 H new ATOM 0 HA SER B 83 3.968 20.300 -6.328 1.00 0.00 H new ATOM 0 HB2 SER B 83 4.936 19.443 -8.636 1.00 0.00 H new ATOM 0 HB3 SER B 83 5.730 20.783 -7.832 1.00 0.00 H new ATOM 0 HG SER B 83 7.317 19.379 -7.044 1.00 0.00 H new ATOM 2287 N THR B 84 4.383 17.035 -6.571 1.00 0.00 N ATOM 2288 CA THR B 84 3.634 15.802 -6.786 1.00 0.00 C ATOM 2289 C THR B 84 3.748 14.807 -5.638 1.00 0.00 C ATOM 2290 O THR B 84 3.181 13.727 -5.727 1.00 0.00 O ATOM 2291 CB THR B 84 4.081 15.099 -8.085 1.00 0.00 C ATOM 2292 OG1 THR B 84 5.065 14.097 -7.815 1.00 0.00 O ATOM 2293 CG2 THR B 84 4.680 16.094 -9.055 1.00 0.00 C ATOM 0 H THR B 84 5.366 16.904 -6.332 1.00 0.00 H new ATOM 0 HA THR B 84 2.592 16.114 -6.856 1.00 0.00 H new ATOM 0 HB THR B 84 3.194 14.638 -8.520 1.00 0.00 H new ATOM 0 HG1 THR B 84 5.331 13.665 -8.654 1.00 0.00 H new ATOM 0 HG21 THR B 84 4.988 15.576 -9.963 1.00 0.00 H new ATOM 0 HG22 THR B 84 3.937 16.852 -9.304 1.00 0.00 H new ATOM 0 HG23 THR B 84 5.547 16.571 -8.598 1.00 0.00 H new ATOM 2301 N ALA B 85 4.461 15.167 -4.579 1.00 0.00 N ATOM 2302 CA ALA B 85 4.657 14.280 -3.430 1.00 0.00 C ATOM 2303 C ALA B 85 3.364 13.589 -3.019 1.00 0.00 C ATOM 2304 O ALA B 85 3.309 12.365 -2.951 1.00 0.00 O ATOM 2305 CB ALA B 85 5.242 15.050 -2.260 1.00 0.00 C ATOM 0 H ALA B 85 4.918 16.074 -4.488 1.00 0.00 H new ATOM 0 HA ALA B 85 5.361 13.504 -3.732 1.00 0.00 H new ATOM 0 HB1 ALA B 85 5.381 14.376 -1.414 1.00 0.00 H new ATOM 0 HB2 ALA B 85 6.204 15.475 -2.548 1.00 0.00 H new ATOM 0 HB3 ALA B 85 4.562 15.853 -1.976 1.00 0.00 H new ATOM 2311 N VAL B 86 2.330 14.379 -2.741 1.00 0.00 N ATOM 2312 CA VAL B 86 1.022 13.840 -2.366 1.00 0.00 C ATOM 2313 C VAL B 86 0.538 12.809 -3.383 1.00 0.00 C ATOM 2314 O VAL B 86 0.162 11.701 -3.020 1.00 0.00 O ATOM 2315 CB VAL B 86 -0.019 14.978 -2.211 1.00 0.00 C ATOM 2316 CG1 VAL B 86 -1.415 14.519 -2.610 1.00 0.00 C ATOM 2317 CG2 VAL B 86 -0.051 15.487 -0.779 1.00 0.00 C ATOM 0 H VAL B 86 2.371 15.398 -2.768 1.00 0.00 H new ATOM 0 HA VAL B 86 1.133 13.340 -1.404 1.00 0.00 H new ATOM 0 HB VAL B 86 0.287 15.784 -2.878 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -2.118 15.343 -2.488 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -1.409 14.198 -3.652 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -1.719 13.686 -1.976 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -0.788 16.285 -0.693 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -0.320 14.671 -0.109 1.00 0.00 H new ATOM 0 HG23 VAL B 86 0.932 15.871 -0.507 1.00 0.00 H new ATOM 2327 N LYS B 87 0.614 13.170 -4.654 1.00 0.00 N ATOM 2328 CA LYS B 87 0.176 12.298 -5.737 1.00 0.00 C ATOM 2329 C LYS B 87 1.056 11.056 -5.820 1.00 0.00 C ATOM 2330 O LYS B 87 0.558 9.970 -6.054 1.00 0.00 O ATOM 2331 CB LYS B 87 0.215 13.066 -7.065 1.00 0.00 C ATOM 2332 CG LYS B 87 -0.389 14.463 -6.983 1.00 0.00 C ATOM 2333 CD LYS B 87 0.025 15.324 -8.169 1.00 0.00 C ATOM 2334 CE LYS B 87 -0.608 16.710 -8.112 1.00 0.00 C ATOM 2335 NZ LYS B 87 -0.015 17.563 -7.043 1.00 0.00 N ATOM 0 H LYS B 87 0.979 14.070 -4.965 1.00 0.00 H new ATOM 0 HA LYS B 87 -0.846 11.977 -5.537 1.00 0.00 H new ATOM 0 HB2 LYS B 87 1.250 13.146 -7.398 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -0.320 12.492 -7.822 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -1.476 14.388 -6.949 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -0.073 14.943 -6.057 1.00 0.00 H new ATOM 0 HD2 LYS B 87 1.111 15.421 -8.186 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -0.266 14.830 -9.096 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -0.484 17.203 -9.076 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -1.680 16.610 -7.940 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -0.326 18.547 -7.171 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -0.327 17.220 -6.112 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 1.023 17.518 -7.099 1.00 0.00 H new ATOM 2349 N GLU B 88 2.358 11.223 -5.622 1.00 0.00 N ATOM 2350 CA GLU B 88 3.294 10.105 -5.665 1.00 0.00 C ATOM 2351 C GLU B 88 3.035 9.157 -4.491 1.00 0.00 C ATOM 2352 O GLU B 88 3.071 7.935 -4.644 1.00 0.00 O ATOM 2353 CB GLU B 88 4.740 10.616 -5.654 1.00 0.00 C ATOM 2354 CG GLU B 88 5.291 10.934 -7.043 1.00 0.00 C ATOM 2355 CD GLU B 88 6.694 11.529 -7.008 1.00 0.00 C ATOM 2356 OE1 GLU B 88 6.888 12.545 -6.309 1.00 0.00 O ATOM 2357 OE2 GLU B 88 7.605 10.989 -7.688 1.00 0.00 O ATOM 0 H GLU B 88 2.792 12.126 -5.429 1.00 0.00 H new ATOM 0 HA GLU B 88 3.142 9.551 -6.591 1.00 0.00 H new ATOM 0 HB2 GLU B 88 4.794 11.513 -5.038 1.00 0.00 H new ATOM 0 HB3 GLU B 88 5.377 9.867 -5.183 1.00 0.00 H new ATOM 0 HG2 GLU B 88 5.304 10.022 -7.640 1.00 0.00 H new ATOM 0 HG3 GLU B 88 4.619 11.632 -7.543 1.00 0.00 H new ATOM 2364 N ARG B 89 2.758 9.728 -3.319 1.00 0.00 N ATOM 2365 CA ARG B 89 2.454 8.938 -2.128 1.00 0.00 C ATOM 2366 C ARG B 89 1.136 8.225 -2.335 1.00 0.00 C ATOM 2367 O ARG B 89 1.003 7.033 -2.065 1.00 0.00 O ATOM 2368 CB ARG B 89 2.360 9.835 -0.899 1.00 0.00 C ATOM 2369 CG ARG B 89 2.417 9.096 0.431 1.00 0.00 C ATOM 2370 CD ARG B 89 1.049 8.994 1.093 1.00 0.00 C ATOM 2371 NE ARG B 89 0.300 10.248 1.033 1.00 0.00 N ATOM 2372 CZ ARG B 89 -0.904 10.353 0.477 1.00 0.00 C ATOM 2373 NH1 ARG B 89 -1.532 9.260 0.070 1.00 0.00 N ATOM 2374 NH2 ARG B 89 -1.500 11.532 0.364 1.00 0.00 N ATOM 0 H ARG B 89 2.738 10.737 -3.170 1.00 0.00 H new ATOM 0 HA ARG B 89 3.252 8.214 -1.967 1.00 0.00 H new ATOM 0 HB2 ARG B 89 3.173 10.560 -0.932 1.00 0.00 H new ATOM 0 HB3 ARG B 89 1.428 10.398 -0.947 1.00 0.00 H new ATOM 0 HG2 ARG B 89 2.817 8.095 0.271 1.00 0.00 H new ATOM 0 HG3 ARG B 89 3.105 9.611 1.101 1.00 0.00 H new ATOM 0 HD2 ARG B 89 0.472 8.207 0.607 1.00 0.00 H new ATOM 0 HD3 ARG B 89 1.175 8.700 2.135 1.00 0.00 H new ATOM 0 HE ARG B 89 0.722 11.084 1.438 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -1.092 8.347 0.184 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -2.455 9.332 -0.357 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -1.035 12.373 0.706 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -2.423 11.598 -0.065 1.00 0.00 H new ATOM 2388 N ASP B 90 0.159 8.987 -2.804 1.00 0.00 N ATOM 2389 CA ASP B 90 -1.161 8.465 -3.103 1.00 0.00 C ATOM 2390 C ASP B 90 -1.082 7.414 -4.182 1.00 0.00 C ATOM 2391 O ASP B 90 -1.829 6.445 -4.170 1.00 0.00 O ATOM 2392 CB ASP B 90 -2.104 9.600 -3.525 1.00 0.00 C ATOM 2393 CG ASP B 90 -2.880 10.155 -2.355 1.00 0.00 C ATOM 2394 OD1 ASP B 90 -3.545 9.347 -1.660 1.00 0.00 O ATOM 2395 OD2 ASP B 90 -2.805 11.368 -2.094 1.00 0.00 O ATOM 0 H ASP B 90 0.262 9.985 -2.987 1.00 0.00 H new ATOM 0 HA ASP B 90 -1.561 8.002 -2.201 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -1.525 10.399 -3.988 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -2.799 9.232 -4.279 1.00 0.00 H new ATOM 2400 N ALA B 91 -0.126 7.591 -5.062 1.00 0.00 N ATOM 2401 CA ALA B 91 0.079 6.673 -6.179 1.00 0.00 C ATOM 2402 C ALA B 91 0.646 5.363 -5.691 1.00 0.00 C ATOM 2403 O ALA B 91 0.150 4.286 -6.024 1.00 0.00 O ATOM 2404 CB ALA B 91 1.025 7.282 -7.187 1.00 0.00 C ATOM 0 H ALA B 91 0.534 8.368 -5.033 1.00 0.00 H new ATOM 0 HA ALA B 91 -0.886 6.490 -6.651 1.00 0.00 H new ATOM 0 HB1 ALA B 91 1.170 6.588 -8.015 1.00 0.00 H new ATOM 0 HB2 ALA B 91 0.604 8.214 -7.564 1.00 0.00 H new ATOM 0 HB3 ALA B 91 1.984 7.484 -6.710 1.00 0.00 H new ATOM 2410 N VAL B 92 1.707 5.473 -4.913 1.00 0.00 N ATOM 2411 CA VAL B 92 2.357 4.323 -4.335 1.00 0.00 C ATOM 2412 C VAL B 92 1.332 3.550 -3.534 1.00 0.00 C ATOM 2413 O VAL B 92 1.190 2.344 -3.667 1.00 0.00 O ATOM 2414 CB VAL B 92 3.508 4.788 -3.431 1.00 0.00 C ATOM 2415 CG1 VAL B 92 3.782 3.815 -2.307 1.00 0.00 C ATOM 2416 CG2 VAL B 92 4.764 5.005 -4.239 1.00 0.00 C ATOM 0 H VAL B 92 2.138 6.364 -4.667 1.00 0.00 H new ATOM 0 HA VAL B 92 2.769 3.682 -5.115 1.00 0.00 H new ATOM 0 HB VAL B 92 3.197 5.732 -2.983 1.00 0.00 H new ATOM 0 HG11 VAL B 92 4.604 4.188 -1.696 1.00 0.00 H new ATOM 0 HG12 VAL B 92 2.889 3.711 -1.690 1.00 0.00 H new ATOM 0 HG13 VAL B 92 4.051 2.844 -2.724 1.00 0.00 H new ATOM 0 HG21 VAL B 92 5.568 5.334 -3.581 1.00 0.00 H new ATOM 0 HG22 VAL B 92 5.051 4.072 -4.723 1.00 0.00 H new ATOM 0 HG23 VAL B 92 4.582 5.766 -4.998 1.00 0.00 H new ATOM 2426 N LYS B 93 0.585 4.305 -2.753 1.00 0.00 N ATOM 2427 CA LYS B 93 -0.472 3.792 -1.910 1.00 0.00 C ATOM 2428 C LYS B 93 -1.529 3.096 -2.737 1.00 0.00 C ATOM 2429 O LYS B 93 -2.004 2.025 -2.371 1.00 0.00 O ATOM 2430 CB LYS B 93 -1.095 4.974 -1.186 1.00 0.00 C ATOM 2431 CG LYS B 93 -2.425 4.683 -0.538 1.00 0.00 C ATOM 2432 CD LYS B 93 -3.114 5.976 -0.170 1.00 0.00 C ATOM 2433 CE LYS B 93 -4.319 6.247 -1.034 1.00 0.00 C ATOM 2434 NZ LYS B 93 -3.962 6.753 -2.389 1.00 0.00 N ATOM 0 H LYS B 93 0.701 5.316 -2.687 1.00 0.00 H new ATOM 0 HA LYS B 93 -0.064 3.067 -1.205 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -0.401 5.321 -0.421 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -1.222 5.792 -1.895 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -3.053 4.108 -1.219 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -2.279 4.073 0.353 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -3.420 5.937 0.875 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -2.408 6.801 -0.265 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -4.900 5.330 -1.136 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -4.959 6.976 -0.537 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -4.608 6.344 -3.094 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -4.044 7.790 -2.405 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -2.984 6.480 -2.615 1.00 0.00 H new ATOM 2448 N ASP B 94 -1.895 3.724 -3.841 1.00 0.00 N ATOM 2449 CA ASP B 94 -2.903 3.177 -4.725 1.00 0.00 C ATOM 2450 C ASP B 94 -2.483 1.804 -5.226 1.00 0.00 C ATOM 2451 O ASP B 94 -3.185 0.811 -5.024 1.00 0.00 O ATOM 2452 CB ASP B 94 -3.155 4.101 -5.910 1.00 0.00 C ATOM 2453 CG ASP B 94 -4.276 5.088 -5.636 1.00 0.00 C ATOM 2454 OD1 ASP B 94 -4.612 5.300 -4.445 1.00 0.00 O ATOM 2455 OD2 ASP B 94 -4.831 5.640 -6.604 1.00 0.00 O ATOM 0 H ASP B 94 -1.506 4.616 -4.145 1.00 0.00 H new ATOM 0 HA ASP B 94 -3.828 3.084 -4.156 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -2.241 4.647 -6.144 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -3.404 3.505 -6.788 1.00 0.00 H new ATOM 2460 N LEU B 95 -1.316 1.764 -5.867 1.00 0.00 N ATOM 2461 CA LEU B 95 -0.761 0.527 -6.401 1.00 0.00 C ATOM 2462 C LEU B 95 -0.572 -0.486 -5.279 1.00 0.00 C ATOM 2463 O LEU B 95 -0.938 -1.652 -5.409 1.00 0.00 O ATOM 2464 CB LEU B 95 0.568 0.811 -7.117 1.00 0.00 C ATOM 2465 CG LEU B 95 0.575 0.547 -8.634 1.00 0.00 C ATOM 2466 CD1 LEU B 95 -0.820 0.700 -9.224 1.00 0.00 C ATOM 2467 CD2 LEU B 95 1.537 1.499 -9.323 1.00 0.00 C ATOM 0 H LEU B 95 -0.733 2.585 -6.029 1.00 0.00 H new ATOM 0 HA LEU B 95 -1.455 0.106 -7.128 1.00 0.00 H new ATOM 0 HB2 LEU B 95 0.837 1.853 -6.946 1.00 0.00 H new ATOM 0 HB3 LEU B 95 1.346 0.202 -6.657 1.00 0.00 H new ATOM 0 HG LEU B 95 0.903 -0.479 -8.798 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -0.785 0.508 -10.296 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -1.496 -0.012 -8.750 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -1.180 1.714 -9.049 1.00 0.00 H new ATOM 0 HD21 LEU B 95 1.535 1.305 -10.396 1.00 0.00 H new ATOM 0 HD22 LEU B 95 1.225 2.527 -9.140 1.00 0.00 H new ATOM 0 HD23 LEU B 95 2.542 1.349 -8.929 1.00 0.00 H new ATOM 2479 N LEU B 96 -0.029 -0.009 -4.168 1.00 0.00 N ATOM 2480 CA LEU B 96 0.212 -0.833 -2.993 1.00 0.00 C ATOM 2481 C LEU B 96 -1.067 -1.511 -2.527 1.00 0.00 C ATOM 2482 O LEU B 96 -1.152 -2.735 -2.492 1.00 0.00 O ATOM 2483 CB LEU B 96 0.775 0.045 -1.878 1.00 0.00 C ATOM 2484 CG LEU B 96 2.290 0.204 -1.900 1.00 0.00 C ATOM 2485 CD1 LEU B 96 2.737 1.158 -0.811 1.00 0.00 C ATOM 2486 CD2 LEU B 96 2.972 -1.146 -1.761 1.00 0.00 C ATOM 0 H LEU B 96 0.258 0.964 -4.056 1.00 0.00 H new ATOM 0 HA LEU B 96 0.928 -1.614 -3.250 1.00 0.00 H new ATOM 0 HB2 LEU B 96 0.318 1.032 -1.945 1.00 0.00 H new ATOM 0 HB3 LEU B 96 0.481 -0.378 -0.917 1.00 0.00 H new ATOM 0 HG LEU B 96 2.582 0.628 -2.861 1.00 0.00 H new ATOM 0 HD11 LEU B 96 3.822 1.261 -0.840 1.00 0.00 H new ATOM 0 HD12 LEU B 96 2.276 2.133 -0.969 1.00 0.00 H new ATOM 0 HD13 LEU B 96 2.435 0.768 0.161 1.00 0.00 H new ATOM 0 HD21 LEU B 96 4.053 -1.011 -1.779 1.00 0.00 H new ATOM 0 HD22 LEU B 96 2.679 -1.606 -0.817 1.00 0.00 H new ATOM 0 HD23 LEU B 96 2.673 -1.791 -2.587 1.00 0.00 H new ATOM 2498 N GLN B 97 -2.058 -0.696 -2.200 1.00 0.00 N ATOM 2499 CA GLN B 97 -3.350 -1.173 -1.726 1.00 0.00 C ATOM 2500 C GLN B 97 -3.994 -2.194 -2.675 1.00 0.00 C ATOM 2501 O GLN B 97 -4.515 -3.210 -2.232 1.00 0.00 O ATOM 2502 CB GLN B 97 -4.262 0.033 -1.490 1.00 0.00 C ATOM 2503 CG GLN B 97 -5.735 -0.203 -1.737 1.00 0.00 C ATOM 2504 CD GLN B 97 -6.523 1.090 -1.707 1.00 0.00 C ATOM 2505 OE1 GLN B 97 -7.023 1.507 -0.665 1.00 0.00 O ATOM 2506 NE2 GLN B 97 -6.612 1.749 -2.849 1.00 0.00 N ATOM 0 H GLN B 97 -1.989 0.320 -2.256 1.00 0.00 H new ATOM 0 HA GLN B 97 -3.198 -1.708 -0.789 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -4.134 0.367 -0.460 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -3.930 0.848 -2.133 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -5.869 -0.688 -2.704 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -6.126 -0.885 -0.982 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -6.183 1.368 -3.692 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -7.110 2.638 -2.887 1.00 0.00 H new ATOM 2515 N GLN B 98 -3.912 -1.942 -3.975 1.00 0.00 N ATOM 2516 CA GLN B 98 -4.527 -2.825 -4.973 1.00 0.00 C ATOM 2517 C GLN B 98 -3.781 -4.148 -5.159 1.00 0.00 C ATOM 2518 O GLN B 98 -4.403 -5.203 -5.295 1.00 0.00 O ATOM 2519 CB GLN B 98 -4.613 -2.116 -6.323 1.00 0.00 C ATOM 2520 CG GLN B 98 -5.584 -0.947 -6.342 1.00 0.00 C ATOM 2521 CD GLN B 98 -5.400 -0.057 -7.558 1.00 0.00 C ATOM 2522 OE1 GLN B 98 -5.017 -0.522 -8.631 1.00 0.00 O ATOM 2523 NE2 GLN B 98 -5.671 1.228 -7.400 1.00 0.00 N ATOM 0 H GLN B 98 -3.427 -1.135 -4.369 1.00 0.00 H new ATOM 0 HA GLN B 98 -5.521 -3.060 -4.593 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -3.621 -1.757 -6.598 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -4.913 -2.837 -7.083 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -6.605 -1.327 -6.325 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -5.450 -0.353 -5.438 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -5.986 1.575 -6.494 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -5.565 1.872 -8.184 1.00 0.00 H new ATOM 2532 N LEU B 99 -2.459 -4.094 -5.174 1.00 0.00 N ATOM 2533 CA LEU B 99 -1.645 -5.287 -5.400 1.00 0.00 C ATOM 2534 C LEU B 99 -1.442 -6.120 -4.138 1.00 0.00 C ATOM 2535 O LEU B 99 -1.154 -7.317 -4.219 1.00 0.00 O ATOM 2536 CB LEU B 99 -0.291 -4.875 -5.962 1.00 0.00 C ATOM 2537 CG LEU B 99 -0.333 -4.243 -7.349 1.00 0.00 C ATOM 2538 CD1 LEU B 99 0.798 -3.246 -7.505 1.00 0.00 C ATOM 2539 CD2 LEU B 99 -0.245 -5.318 -8.420 1.00 0.00 C ATOM 0 H LEU B 99 -1.922 -3.238 -5.033 1.00 0.00 H new ATOM 0 HA LEU B 99 -2.184 -5.914 -6.110 1.00 0.00 H new ATOM 0 HB2 LEU B 99 0.172 -4.170 -5.272 1.00 0.00 H new ATOM 0 HB3 LEU B 99 0.353 -5.754 -5.999 1.00 0.00 H new ATOM 0 HG LEU B 99 -1.279 -3.715 -7.465 1.00 0.00 H new ATOM 0 HD11 LEU B 99 0.757 -2.802 -8.500 1.00 0.00 H new ATOM 0 HD12 LEU B 99 0.699 -2.463 -6.753 1.00 0.00 H new ATOM 0 HD13 LEU B 99 1.753 -3.755 -7.374 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -0.276 -4.853 -9.405 1.00 0.00 H new ATOM 0 HD22 LEU B 99 0.689 -5.868 -8.308 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -1.085 -6.005 -8.316 1.00 0.00 H new ATOM 2551 N LEU B 100 -1.596 -5.487 -2.987 1.00 0.00 N ATOM 2552 CA LEU B 100 -1.407 -6.147 -1.695 1.00 0.00 C ATOM 2553 C LEU B 100 -2.173 -7.465 -1.539 1.00 0.00 C ATOM 2554 O LEU B 100 -1.550 -8.491 -1.286 1.00 0.00 O ATOM 2555 CB LEU B 100 -1.800 -5.213 -0.562 1.00 0.00 C ATOM 2556 CG LEU B 100 -0.686 -4.344 -0.010 1.00 0.00 C ATOM 2557 CD1 LEU B 100 -1.276 -3.335 0.948 1.00 0.00 C ATOM 2558 CD2 LEU B 100 0.362 -5.201 0.681 1.00 0.00 C ATOM 0 H LEU B 100 -1.855 -4.503 -2.916 1.00 0.00 H new ATOM 0 HA LEU B 100 -0.346 -6.393 -1.652 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -2.602 -4.564 -0.912 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -2.207 -5.811 0.253 1.00 0.00 H new ATOM 0 HG LEU B 100 -0.195 -3.815 -0.827 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -0.481 -2.706 1.349 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -2.000 -2.713 0.421 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -1.773 -3.857 1.765 1.00 0.00 H new ATOM 0 HD21 LEU B 100 1.154 -4.562 1.072 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -0.100 -5.749 1.502 1.00 0.00 H new ATOM 0 HD23 LEU B 100 0.784 -5.907 -0.034 1.00 0.00 H new ATOM 2570 N PRO B 101 -3.513 -7.480 -1.712 1.00 0.00 N ATOM 2571 CA PRO B 101 -4.325 -8.694 -1.521 1.00 0.00 C ATOM 2572 C PRO B 101 -3.888 -9.880 -2.381 1.00 0.00 C ATOM 2573 O PRO B 101 -4.310 -11.012 -2.147 1.00 0.00 O ATOM 2574 CB PRO B 101 -5.742 -8.257 -1.910 1.00 0.00 C ATOM 2575 CG PRO B 101 -5.560 -7.007 -2.694 1.00 0.00 C ATOM 2576 CD PRO B 101 -4.353 -6.340 -2.116 1.00 0.00 C ATOM 0 HA PRO B 101 -4.231 -9.055 -0.497 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -6.243 -9.024 -2.501 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -6.357 -8.083 -1.027 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -5.418 -7.226 -3.752 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -6.437 -6.365 -2.616 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -3.851 -5.707 -2.848 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -4.609 -5.705 -1.268 1.00 0.00 H new ATOM 2584 N LYS B 102 -3.050 -9.632 -3.378 1.00 0.00 N ATOM 2585 CA LYS B 102 -2.583 -10.706 -4.235 1.00 0.00 C ATOM 2586 C LYS B 102 -1.363 -11.391 -3.619 1.00 0.00 C ATOM 2587 O LYS B 102 -0.935 -12.450 -4.086 1.00 0.00 O ATOM 2588 CB LYS B 102 -2.251 -10.191 -5.635 1.00 0.00 C ATOM 2589 CG LYS B 102 -2.511 -11.224 -6.721 1.00 0.00 C ATOM 2590 CD LYS B 102 -1.488 -11.138 -7.841 1.00 0.00 C ATOM 2591 CE LYS B 102 -0.087 -11.471 -7.349 1.00 0.00 C ATOM 2592 NZ LYS B 102 -0.031 -12.794 -6.664 1.00 0.00 N ATOM 0 H LYS B 102 -2.685 -8.708 -3.609 1.00 0.00 H new ATOM 0 HA LYS B 102 -3.388 -11.436 -4.325 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -2.844 -9.299 -5.839 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -1.203 -9.892 -5.668 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -2.489 -12.223 -6.285 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -3.511 -11.077 -7.130 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -1.766 -11.824 -8.641 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -1.496 -10.134 -8.265 1.00 0.00 H new ATOM 0 HE2 LYS B 102 0.602 -11.471 -8.193 1.00 0.00 H new ATOM 0 HE3 LYS B 102 0.250 -10.694 -6.663 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 0.906 -13.221 -6.809 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -0.199 -12.665 -5.646 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -0.762 -13.420 -7.058 1.00 0.00 H new ATOM 2606 N PHE B 103 -0.785 -10.757 -2.605 1.00 0.00 N ATOM 2607 CA PHE B 103 0.364 -11.306 -1.902 1.00 0.00 C ATOM 2608 C PHE B 103 0.047 -11.456 -0.416 1.00 0.00 C ATOM 2609 O PHE B 103 0.679 -12.240 0.290 1.00 0.00 O ATOM 2610 CB PHE B 103 1.585 -10.407 -2.095 1.00 0.00 C ATOM 2611 CG PHE B 103 2.019 -10.281 -3.528 1.00 0.00 C ATOM 2612 CD1 PHE B 103 2.820 -11.249 -4.108 1.00 0.00 C ATOM 2613 CD2 PHE B 103 1.625 -9.194 -4.293 1.00 0.00 C ATOM 2614 CE1 PHE B 103 3.220 -11.136 -5.425 1.00 0.00 C ATOM 2615 CE2 PHE B 103 2.023 -9.074 -5.609 1.00 0.00 C ATOM 2616 CZ PHE B 103 2.821 -10.048 -6.177 1.00 0.00 C ATOM 0 H PHE B 103 -1.099 -9.854 -2.250 1.00 0.00 H new ATOM 0 HA PHE B 103 0.589 -12.289 -2.314 1.00 0.00 H new ATOM 0 HB2 PHE B 103 1.361 -9.415 -1.704 1.00 0.00 H new ATOM 0 HB3 PHE B 103 2.413 -10.802 -1.507 1.00 0.00 H new ATOM 0 HD1 PHE B 103 3.136 -12.101 -3.525 1.00 0.00 H new ATOM 0 HD2 PHE B 103 0.999 -8.432 -3.854 1.00 0.00 H new ATOM 0 HE1 PHE B 103 3.845 -11.898 -5.867 1.00 0.00 H new ATOM 0 HE2 PHE B 103 1.711 -8.221 -6.193 1.00 0.00 H new ATOM 0 HZ PHE B 103 3.132 -9.959 -7.207 1.00 0.00 H new ATOM 2626 N LYS B 104 -0.937 -10.686 0.039 1.00 0.00 N ATOM 2627 CA LYS B 104 -1.375 -10.698 1.427 1.00 0.00 C ATOM 2628 C LYS B 104 -1.869 -12.083 1.831 1.00 0.00 C ATOM 2629 O LYS B 104 -2.953 -12.510 1.423 1.00 0.00 O ATOM 2630 CB LYS B 104 -2.498 -9.672 1.613 1.00 0.00 C ATOM 2631 CG LYS B 104 -2.678 -9.201 3.043 1.00 0.00 C ATOM 2632 CD LYS B 104 -4.119 -9.352 3.503 1.00 0.00 C ATOM 2633 CE LYS B 104 -4.359 -8.672 4.844 1.00 0.00 C ATOM 2634 NZ LYS B 104 -3.538 -9.275 5.928 1.00 0.00 N ATOM 0 H LYS B 104 -1.454 -10.033 -0.550 1.00 0.00 H new ATOM 0 HA LYS B 104 -0.528 -10.440 2.063 1.00 0.00 H new ATOM 0 HB2 LYS B 104 -2.294 -8.808 0.981 1.00 0.00 H new ATOM 0 HB3 LYS B 104 -3.435 -10.108 1.265 1.00 0.00 H new ATOM 0 HG2 LYS B 104 -2.023 -9.773 3.701 1.00 0.00 H new ATOM 0 HG3 LYS B 104 -2.377 -8.157 3.124 1.00 0.00 H new ATOM 0 HD2 LYS B 104 -4.786 -8.925 2.754 1.00 0.00 H new ATOM 0 HD3 LYS B 104 -4.366 -10.411 3.583 1.00 0.00 H new ATOM 0 HE2 LYS B 104 -4.125 -7.611 4.760 1.00 0.00 H new ATOM 0 HE3 LYS B 104 -5.415 -8.746 5.105 1.00 0.00 H new ATOM 0 HZ1 LYS B 104 -3.991 -9.097 6.847 1.00 0.00 H new ATOM 0 HZ2 LYS B 104 -3.459 -10.301 5.774 1.00 0.00 H new ATOM 0 HZ3 LYS B 104 -2.589 -8.850 5.922 1.00 0.00 H new