USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 572 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 469 THR OG1 : rot 85:sc= 0.348 USER MOD Set 1.2: A 470 THR OG1 : rot 180:sc= 0 USER MOD Single : A 455 THR OG1 : rot 180:sc= 0 USER MOD Single : A 462 TYR OH : rot 180:sc= 0 USER MOD Single : A 464 THR OG1 : rot -51:sc= 1.2 USER MOD Single : A 466 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 468 MET CE :methyl -174:sc= -3.49! (180deg=-3.86!) USER MOD Single : A 471 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 475 LYS NZ :NH3+ 147:sc= -0.23 (180deg=-0.806) USER MOD Single : A 476 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 478 GLN : amide:sc= -0.45 X(o=-0.45,f=-0.45) USER MOD Single : A 479 THR OG1 : rot 180:sc= 0 USER MOD Single : A 480 LYS NZ :NH3+ -171:sc=-0.000799 (180deg=-0.0869) USER MOD Single : A 481 LYS NZ :NH3+ -169:sc= -0.0347 (180deg=-0.239) USER MOD Single : A 482 THR OG1 : rot 180:sc= 0 USER MOD Single : A 485 SER OG : rot 180:sc= 0 USER MOD Single : A 486 SER OG : rot 180:sc= 0 USER MOD Single : A 488 GLN : amide:sc= -0.1 X(o=-0.1,f=-0.12) USER MOD Single : A 489 THR OG1 : rot 180:sc= 0 USER MOD Single : A 491 ASN : amide:sc= -0.2 K(o=-0.2,f=-1.3!) USER MOD Single : A 495 GLN : amide:sc= 0 X(o=0,f=0.039) USER MOD Single : A 498 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.142) USER MOD Single : A 501 ASN :FLIP amide:sc= 0.415 F(o=-0.23,f=0.42) USER MOD Single : A 505 LYS NZ :NH3+ 141:sc= -1.53 (180deg=-3.46!) USER MOD Single : A 506 MET CE :methyl -164:sc= -0.097 (180deg=-0.528) USER MOD Single : A 508 ASN : amide:sc= -0.0965 K(o=-0.097,f=-1.6) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 511 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 512 HIS : no HD1:sc= -1.24 X(o=-1.2,f=-0.78) USER MOD Single : A 514 SER OG : rot 4:sc= -1.12 USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 45 N VAL A 454 -10.692 -0.423 3.298 1.00 0.00 N ATOM 46 CA VAL A 454 -9.263 -0.711 3.289 1.00 0.00 C ATOM 47 C VAL A 454 -8.724 -0.854 4.709 1.00 0.00 C ATOM 48 O VAL A 454 -9.062 -0.068 5.594 1.00 0.00 O ATOM 49 CB VAL A 454 -8.473 0.392 2.561 1.00 0.00 C ATOM 50 CG1 VAL A 454 -7.015 -0.011 2.401 1.00 0.00 C ATOM 51 CG2 VAL A 454 -9.102 0.695 1.210 1.00 0.00 C ATOM 0 HA VAL A 454 -9.132 -1.653 2.756 1.00 0.00 H new ATOM 0 HB VAL A 454 -8.510 1.299 3.165 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -6.473 0.781 1.884 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -6.572 -0.172 3.384 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -6.954 -0.931 1.820 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -8.531 1.477 0.710 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -9.098 -0.206 0.597 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -10.129 1.032 1.354 1.00 0.00 H new ATOM 61 N THR A 455 -7.883 -1.862 4.919 1.00 0.00 N ATOM 62 CA THR A 455 -7.298 -2.107 6.231 1.00 0.00 C ATOM 63 C THR A 455 -5.790 -2.314 6.126 1.00 0.00 C ATOM 64 O THR A 455 -5.284 -2.751 5.092 1.00 0.00 O ATOM 65 CB THR A 455 -7.949 -3.328 6.883 1.00 0.00 C ATOM 66 OG1 THR A 455 -7.481 -3.499 8.209 1.00 0.00 O ATOM 67 CG2 THR A 455 -7.690 -4.618 6.135 1.00 0.00 C ATOM 0 H THR A 455 -7.592 -2.522 4.197 1.00 0.00 H new ATOM 0 HA THR A 455 -7.483 -1.231 6.852 1.00 0.00 H new ATOM 0 HB THR A 455 -9.020 -3.126 6.865 1.00 0.00 H new ATOM 0 HG1 THR A 455 -7.911 -4.284 8.609 1.00 0.00 H new ATOM 0 HG21 THR A 455 -8.180 -5.443 6.652 1.00 0.00 H new ATOM 0 HG22 THR A 455 -8.086 -4.537 5.123 1.00 0.00 H new ATOM 0 HG23 THR A 455 -6.617 -4.804 6.091 1.00 0.00 H new ATOM 75 N GLU A 456 -5.078 -1.998 7.202 1.00 0.00 N ATOM 76 CA GLU A 456 -3.627 -2.148 7.231 1.00 0.00 C ATOM 77 C GLU A 456 -3.227 -3.613 7.089 1.00 0.00 C ATOM 78 O GLU A 456 -2.234 -3.935 6.438 1.00 0.00 O ATOM 79 CB GLU A 456 -3.061 -1.577 8.532 1.00 0.00 C ATOM 80 CG GLU A 456 -1.541 -1.569 8.583 1.00 0.00 C ATOM 81 CD GLU A 456 -1.002 -1.095 9.919 1.00 0.00 C ATOM 82 OE1 GLU A 456 -1.816 -0.832 10.830 1.00 0.00 O ATOM 83 OE2 GLU A 456 0.235 -0.987 10.055 1.00 0.00 O ATOM 0 H GLU A 456 -5.482 -1.636 8.066 1.00 0.00 H new ATOM 0 HA GLU A 456 -3.213 -1.595 6.388 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -3.426 -0.558 8.661 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -3.441 -2.160 9.371 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -1.170 -2.574 8.382 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -1.159 -0.924 7.792 1.00 0.00 H new ATOM 90 N ASP A 457 -4.007 -4.497 7.704 1.00 0.00 N ATOM 91 CA ASP A 457 -3.733 -5.928 7.647 1.00 0.00 C ATOM 92 C ASP A 457 -3.741 -6.429 6.206 1.00 0.00 C ATOM 93 O ASP A 457 -2.920 -7.262 5.823 1.00 0.00 O ATOM 94 CB ASP A 457 -4.765 -6.699 8.473 1.00 0.00 C ATOM 95 CG ASP A 457 -4.650 -6.412 9.957 1.00 0.00 C ATOM 96 OD1 ASP A 457 -3.608 -5.867 10.378 1.00 0.00 O ATOM 97 OD2 ASP A 457 -5.602 -6.734 10.699 1.00 0.00 O ATOM 0 H ASP A 457 -4.833 -4.247 8.247 1.00 0.00 H new ATOM 0 HA ASP A 457 -2.741 -6.099 8.065 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -5.767 -6.438 8.132 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -4.638 -7.768 8.302 1.00 0.00 H new ATOM 102 N ALA A 458 -4.674 -5.915 5.411 1.00 0.00 N ATOM 103 CA ALA A 458 -4.789 -6.310 4.013 1.00 0.00 C ATOM 104 C ALA A 458 -3.592 -5.822 3.204 1.00 0.00 C ATOM 105 O ALA A 458 -3.014 -6.572 2.418 1.00 0.00 O ATOM 106 CB ALA A 458 -6.083 -5.777 3.419 1.00 0.00 C ATOM 0 H ALA A 458 -5.361 -5.224 5.712 1.00 0.00 H new ATOM 0 HA ALA A 458 -4.804 -7.399 3.969 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -6.156 -6.080 2.374 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -6.931 -6.180 3.973 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -6.092 -4.689 3.483 1.00 0.00 H new ATOM 112 N VAL A 459 -3.226 -4.560 3.401 1.00 0.00 N ATOM 113 CA VAL A 459 -2.098 -3.971 2.689 1.00 0.00 C ATOM 114 C VAL A 459 -0.789 -4.653 3.071 1.00 0.00 C ATOM 115 O VAL A 459 0.032 -4.971 2.211 1.00 0.00 O ATOM 116 CB VAL A 459 -1.980 -2.461 2.975 1.00 0.00 C ATOM 117 CG1 VAL A 459 -0.897 -1.834 2.111 1.00 0.00 C ATOM 118 CG2 VAL A 459 -3.317 -1.770 2.752 1.00 0.00 C ATOM 0 H VAL A 459 -3.694 -3.925 4.048 1.00 0.00 H new ATOM 0 HA VAL A 459 -2.284 -4.119 1.625 1.00 0.00 H new ATOM 0 HB VAL A 459 -1.698 -2.330 4.020 1.00 0.00 H new ATOM 0 HG11 VAL A 459 -0.830 -0.768 2.328 1.00 0.00 H new ATOM 0 HG12 VAL A 459 0.060 -2.309 2.326 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -1.144 -1.975 1.059 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -3.215 -0.705 2.959 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -3.631 -1.911 1.718 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -4.064 -2.199 3.420 1.00 0.00 H new ATOM 128 N ARG A 460 -0.601 -4.876 4.368 1.00 0.00 N ATOM 129 CA ARG A 460 0.609 -5.520 4.867 1.00 0.00 C ATOM 130 C ARG A 460 0.782 -6.907 4.255 1.00 0.00 C ATOM 131 O ARG A 460 1.901 -7.333 3.967 1.00 0.00 O ATOM 132 CB ARG A 460 0.562 -5.626 6.392 1.00 0.00 C ATOM 133 CG ARG A 460 1.815 -6.238 6.998 1.00 0.00 C ATOM 134 CD ARG A 460 1.693 -6.376 8.507 1.00 0.00 C ATOM 135 NE ARG A 460 2.933 -6.853 9.115 1.00 0.00 N ATOM 136 CZ ARG A 460 3.027 -7.276 10.373 1.00 0.00 C ATOM 137 NH1 ARG A 460 1.958 -7.283 11.160 1.00 0.00 N ATOM 138 NH2 ARG A 460 4.193 -7.694 10.846 1.00 0.00 N ATOM 0 H ARG A 460 -1.272 -4.620 5.093 1.00 0.00 H new ATOM 0 HA ARG A 460 1.462 -4.907 4.577 1.00 0.00 H new ATOM 0 HB2 ARG A 460 0.413 -4.631 6.813 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -0.301 -6.226 6.680 1.00 0.00 H new ATOM 0 HG2 ARG A 460 1.994 -7.218 6.555 1.00 0.00 H new ATOM 0 HG3 ARG A 460 2.678 -5.617 6.757 1.00 0.00 H new ATOM 0 HD2 ARG A 460 1.425 -5.412 8.939 1.00 0.00 H new ATOM 0 HD3 ARG A 460 0.884 -7.067 8.744 1.00 0.00 H new ATOM 0 HE ARG A 460 3.776 -6.862 8.541 1.00 0.00 H new ATOM 0 HH11 ARG A 460 1.058 -6.963 10.801 1.00 0.00 H new ATOM 0 HH12 ARG A 460 2.036 -7.608 12.124 1.00 0.00 H new ATOM 0 HH21 ARG A 460 5.018 -7.691 10.246 1.00 0.00 H new ATOM 0 HH22 ARG A 460 4.265 -8.018 11.810 1.00 0.00 H new ATOM 152 N ARG A 461 -0.331 -7.608 4.062 1.00 0.00 N ATOM 153 CA ARG A 461 -0.302 -8.948 3.487 1.00 0.00 C ATOM 154 C ARG A 461 0.383 -8.948 2.124 1.00 0.00 C ATOM 155 O ARG A 461 1.147 -9.858 1.802 1.00 0.00 O ATOM 156 CB ARG A 461 -1.723 -9.498 3.355 1.00 0.00 C ATOM 157 CG ARG A 461 -1.774 -10.966 2.966 1.00 0.00 C ATOM 158 CD ARG A 461 -1.512 -11.869 4.161 1.00 0.00 C ATOM 159 NE ARG A 461 -2.679 -11.977 5.032 1.00 0.00 N ATOM 160 CZ ARG A 461 -2.627 -12.397 6.294 1.00 0.00 C ATOM 161 NH1 ARG A 461 -1.467 -12.749 6.835 1.00 0.00 N ATOM 162 NH2 ARG A 461 -3.736 -12.465 7.017 1.00 0.00 N ATOM 0 H ARG A 461 -1.265 -7.270 4.296 1.00 0.00 H new ATOM 0 HA ARG A 461 0.271 -9.589 4.158 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -2.245 -9.364 4.302 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -2.262 -8.914 2.609 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -2.751 -11.197 2.541 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -1.034 -11.164 2.190 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -1.229 -12.861 3.810 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -0.669 -11.480 4.731 1.00 0.00 H new ATOM 0 HE ARG A 461 -3.588 -11.715 4.651 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -0.611 -12.698 6.283 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -1.432 -13.070 7.802 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -4.630 -12.195 6.606 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -3.695 -12.787 7.984 1.00 0.00 H new ATOM 176 N TYR A 462 0.105 -7.922 1.327 1.00 0.00 N ATOM 177 CA TYR A 462 0.695 -7.805 -0.002 1.00 0.00 C ATOM 178 C TYR A 462 2.201 -7.580 0.085 1.00 0.00 C ATOM 179 O TYR A 462 2.968 -8.136 -0.701 1.00 0.00 O ATOM 180 CB TYR A 462 0.040 -6.660 -0.776 1.00 0.00 C ATOM 181 CG TYR A 462 -1.413 -6.908 -1.111 1.00 0.00 C ATOM 182 CD1 TYR A 462 -1.771 -7.690 -2.201 1.00 0.00 C ATOM 183 CD2 TYR A 462 -2.428 -6.359 -0.337 1.00 0.00 C ATOM 184 CE1 TYR A 462 -3.098 -7.919 -2.511 1.00 0.00 C ATOM 185 CE2 TYR A 462 -3.757 -6.583 -0.640 1.00 0.00 C ATOM 186 CZ TYR A 462 -4.087 -7.363 -1.727 1.00 0.00 C ATOM 187 OH TYR A 462 -5.410 -7.589 -2.032 1.00 0.00 O ATOM 0 H TYR A 462 -0.525 -7.160 1.578 1.00 0.00 H new ATOM 0 HA TYR A 462 0.518 -8.741 -0.532 1.00 0.00 H new ATOM 0 HB2 TYR A 462 0.118 -5.745 -0.189 1.00 0.00 H new ATOM 0 HB3 TYR A 462 0.594 -6.494 -1.700 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -0.999 -8.127 -2.817 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -2.174 -5.747 0.516 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -3.359 -8.530 -3.362 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -4.534 -6.149 -0.028 1.00 0.00 H new ATOM 0 HH TYR A 462 -5.979 -7.128 -1.381 1.00 0.00 H new ATOM 197 N LEU A 463 2.619 -6.761 1.045 1.00 0.00 N ATOM 198 CA LEU A 463 4.034 -6.462 1.233 1.00 0.00 C ATOM 199 C LEU A 463 4.799 -7.700 1.689 1.00 0.00 C ATOM 200 O LEU A 463 5.947 -7.911 1.300 1.00 0.00 O ATOM 201 CB LEU A 463 4.208 -5.336 2.253 1.00 0.00 C ATOM 202 CG LEU A 463 3.872 -3.937 1.734 1.00 0.00 C ATOM 203 CD1 LEU A 463 2.406 -3.616 1.975 1.00 0.00 C ATOM 204 CD2 LEU A 463 4.764 -2.896 2.394 1.00 0.00 C ATOM 0 H LEU A 463 1.998 -6.293 1.705 1.00 0.00 H new ATOM 0 HA LEU A 463 4.440 -6.141 0.274 1.00 0.00 H new ATOM 0 HB2 LEU A 463 3.578 -5.548 3.117 1.00 0.00 H new ATOM 0 HB3 LEU A 463 5.240 -5.339 2.603 1.00 0.00 H new ATOM 0 HG LEU A 463 4.055 -3.915 0.660 1.00 0.00 H new ATOM 0 HD11 LEU A 463 2.186 -2.617 1.599 1.00 0.00 H new ATOM 0 HD12 LEU A 463 1.784 -4.344 1.455 1.00 0.00 H new ATOM 0 HD13 LEU A 463 2.196 -3.656 3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 463 4.511 -1.906 2.013 1.00 0.00 H new ATOM 0 HD22 LEU A 463 4.613 -2.919 3.473 1.00 0.00 H new ATOM 0 HD23 LEU A 463 5.808 -3.116 2.169 1.00 0.00 H new ATOM 216 N THR A 464 4.156 -8.516 2.518 1.00 0.00 N ATOM 217 CA THR A 464 4.773 -9.730 3.029 1.00 0.00 C ATOM 218 C THR A 464 5.163 -10.669 1.891 1.00 0.00 C ATOM 219 O THR A 464 6.083 -11.475 2.027 1.00 0.00 O ATOM 220 CB THR A 464 3.815 -10.437 3.986 1.00 0.00 C ATOM 221 OG1 THR A 464 2.758 -11.055 3.273 1.00 0.00 O ATOM 222 CG2 THR A 464 3.199 -9.510 5.010 1.00 0.00 C ATOM 0 H THR A 464 3.205 -8.356 2.850 1.00 0.00 H new ATOM 0 HA THR A 464 5.680 -9.452 3.565 1.00 0.00 H new ATOM 0 HB THR A 464 4.423 -11.176 4.509 1.00 0.00 H new ATOM 0 HG1 THR A 464 2.355 -10.407 2.658 1.00 0.00 H new ATOM 0 HG21 THR A 464 2.530 -10.076 5.657 1.00 0.00 H new ATOM 0 HG22 THR A 464 3.987 -9.056 5.611 1.00 0.00 H new ATOM 0 HG23 THR A 464 2.636 -8.728 4.501 1.00 0.00 H new ATOM 230 N ARG A 465 4.457 -10.561 0.768 1.00 0.00 N ATOM 231 CA ARG A 465 4.733 -11.404 -0.390 1.00 0.00 C ATOM 232 C ARG A 465 5.939 -10.889 -1.165 1.00 0.00 C ATOM 233 O ARG A 465 6.971 -11.555 -1.245 1.00 0.00 O ATOM 234 CB ARG A 465 3.510 -11.465 -1.306 1.00 0.00 C ATOM 235 CG ARG A 465 2.343 -12.237 -0.713 1.00 0.00 C ATOM 236 CD ARG A 465 1.244 -12.461 -1.739 1.00 0.00 C ATOM 237 NE ARG A 465 0.074 -13.113 -1.155 1.00 0.00 N ATOM 238 CZ ARG A 465 -0.852 -12.475 -0.441 1.00 0.00 C ATOM 239 NH1 ARG A 465 -0.747 -11.171 -0.221 1.00 0.00 N ATOM 240 NH2 ARG A 465 -1.885 -13.144 0.053 1.00 0.00 N ATOM 0 H ARG A 465 3.692 -9.900 0.636 1.00 0.00 H new ATOM 0 HA ARG A 465 4.959 -12.408 -0.030 1.00 0.00 H new ATOM 0 HB2 ARG A 465 3.185 -10.449 -1.533 1.00 0.00 H new ATOM 0 HB3 ARG A 465 3.797 -11.926 -2.251 1.00 0.00 H new ATOM 0 HG2 ARG A 465 2.694 -13.199 -0.339 1.00 0.00 H new ATOM 0 HG3 ARG A 465 1.940 -11.691 0.140 1.00 0.00 H new ATOM 0 HD2 ARG A 465 0.949 -11.504 -2.169 1.00 0.00 H new ATOM 0 HD3 ARG A 465 1.629 -13.072 -2.556 1.00 0.00 H new ATOM 0 HE ARG A 465 -0.040 -14.116 -1.303 1.00 0.00 H new ATOM 0 HH11 ARG A 465 0.046 -10.652 -0.599 1.00 0.00 H new ATOM 0 HH12 ARG A 465 -1.459 -10.687 0.326 1.00 0.00 H new ATOM 0 HH21 ARG A 465 -1.970 -14.147 -0.114 1.00 0.00 H new ATOM 0 HH22 ARG A 465 -2.594 -12.656 0.600 1.00 0.00 H new ATOM 254 N LYS A 466 5.798 -9.700 -1.734 1.00 0.00 N ATOM 255 CA LYS A 466 6.873 -9.088 -2.506 1.00 0.00 C ATOM 256 C LYS A 466 6.866 -7.570 -2.344 1.00 0.00 C ATOM 257 O LYS A 466 5.824 -6.970 -2.081 1.00 0.00 O ATOM 258 CB LYS A 466 6.738 -9.455 -3.985 1.00 0.00 C ATOM 259 CG LYS A 466 5.359 -9.172 -4.559 1.00 0.00 C ATOM 260 CD LYS A 466 5.367 -7.940 -5.451 1.00 0.00 C ATOM 261 CE LYS A 466 5.591 -8.310 -6.909 1.00 0.00 C ATOM 262 NZ LYS A 466 6.318 -7.241 -7.648 1.00 0.00 N ATOM 0 H LYS A 466 4.949 -9.138 -1.676 1.00 0.00 H new ATOM 0 HA LYS A 466 7.821 -9.470 -2.128 1.00 0.00 H new ATOM 0 HB2 LYS A 466 7.481 -8.901 -4.558 1.00 0.00 H new ATOM 0 HB3 LYS A 466 6.964 -10.514 -4.110 1.00 0.00 H new ATOM 0 HG2 LYS A 466 5.018 -10.035 -5.132 1.00 0.00 H new ATOM 0 HG3 LYS A 466 4.648 -9.029 -3.745 1.00 0.00 H new ATOM 0 HD2 LYS A 466 4.420 -7.410 -5.350 1.00 0.00 H new ATOM 0 HD3 LYS A 466 6.151 -7.257 -5.123 1.00 0.00 H new ATOM 0 HE2 LYS A 466 6.158 -9.239 -6.965 1.00 0.00 H new ATOM 0 HE3 LYS A 466 4.630 -8.494 -7.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 6.451 -7.532 -8.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 5.766 -6.360 -7.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 7.246 -7.083 -7.206 1.00 0.00 H new ATOM 276 N PRO A 467 8.037 -6.927 -2.500 1.00 0.00 N ATOM 277 CA PRO A 467 8.161 -5.471 -2.369 1.00 0.00 C ATOM 278 C PRO A 467 7.205 -4.723 -3.292 1.00 0.00 C ATOM 279 O PRO A 467 6.966 -5.141 -4.425 1.00 0.00 O ATOM 280 CB PRO A 467 9.614 -5.195 -2.770 1.00 0.00 C ATOM 281 CG PRO A 467 10.327 -6.481 -2.530 1.00 0.00 C ATOM 282 CD PRO A 467 9.327 -7.566 -2.813 1.00 0.00 C ATOM 0 HA PRO A 467 7.912 -5.133 -1.363 1.00 0.00 H new ATOM 0 HB2 PRO A 467 9.685 -4.892 -3.815 1.00 0.00 H new ATOM 0 HB3 PRO A 467 10.042 -4.388 -2.175 1.00 0.00 H new ATOM 0 HG2 PRO A 467 11.197 -6.572 -3.180 1.00 0.00 H new ATOM 0 HG3 PRO A 467 10.689 -6.541 -1.504 1.00 0.00 H new ATOM 0 HD2 PRO A 467 9.372 -7.894 -3.852 1.00 0.00 H new ATOM 0 HD3 PRO A 467 9.501 -8.446 -2.193 1.00 0.00 H new ATOM 290 N MET A 468 6.662 -3.615 -2.800 1.00 0.00 N ATOM 291 CA MET A 468 5.732 -2.807 -3.580 1.00 0.00 C ATOM 292 C MET A 468 6.019 -1.320 -3.399 1.00 0.00 C ATOM 293 O MET A 468 6.784 -0.929 -2.518 1.00 0.00 O ATOM 294 CB MET A 468 4.290 -3.112 -3.170 1.00 0.00 C ATOM 295 CG MET A 468 3.885 -4.558 -3.403 1.00 0.00 C ATOM 296 SD MET A 468 2.130 -4.844 -3.106 1.00 0.00 S ATOM 297 CE MET A 468 1.408 -4.025 -4.526 1.00 0.00 C ATOM 0 H MET A 468 6.850 -3.256 -1.864 1.00 0.00 H new ATOM 0 HA MET A 468 5.865 -3.060 -4.632 1.00 0.00 H new ATOM 0 HB2 MET A 468 4.163 -2.873 -2.114 1.00 0.00 H new ATOM 0 HB3 MET A 468 3.617 -2.460 -3.727 1.00 0.00 H new ATOM 0 HG2 MET A 468 4.126 -4.838 -4.428 1.00 0.00 H new ATOM 0 HG3 MET A 468 4.470 -5.205 -2.750 1.00 0.00 H new ATOM 0 HE1 MET A 468 0.322 -4.022 -4.431 1.00 0.00 H new ATOM 0 HE2 MET A 468 1.771 -2.998 -4.577 1.00 0.00 H new ATOM 0 HE3 MET A 468 1.691 -4.556 -5.435 1.00 0.00 H new ATOM 307 N THR A 469 5.401 -0.495 -4.237 1.00 0.00 N ATOM 308 CA THR A 469 5.590 0.949 -4.167 1.00 0.00 C ATOM 309 C THR A 469 4.258 1.662 -3.961 1.00 0.00 C ATOM 310 O THR A 469 3.193 1.073 -4.145 1.00 0.00 O ATOM 311 CB THR A 469 6.265 1.459 -5.442 1.00 0.00 C ATOM 312 OG1 THR A 469 6.343 2.873 -5.437 1.00 0.00 O ATOM 313 CG2 THR A 469 5.547 1.043 -6.707 1.00 0.00 C ATOM 0 H THR A 469 4.765 -0.802 -4.973 1.00 0.00 H new ATOM 0 HA THR A 469 6.233 1.166 -3.314 1.00 0.00 H new ATOM 0 HB THR A 469 7.258 1.009 -5.443 1.00 0.00 H new ATOM 0 HG1 THR A 469 7.147 3.155 -4.953 1.00 0.00 H new ATOM 0 HG21 THR A 469 6.078 1.438 -7.573 1.00 0.00 H new ATOM 0 HG22 THR A 469 5.514 -0.045 -6.766 1.00 0.00 H new ATOM 0 HG23 THR A 469 4.530 1.436 -6.694 1.00 0.00 H new ATOM 321 N THR A 470 4.325 2.933 -3.576 1.00 0.00 N ATOM 322 CA THR A 470 3.124 3.728 -3.341 1.00 0.00 C ATOM 323 C THR A 470 2.213 3.723 -4.564 1.00 0.00 C ATOM 324 O THR A 470 1.000 3.547 -4.447 1.00 0.00 O ATOM 325 CB THR A 470 3.503 5.165 -2.981 1.00 0.00 C ATOM 326 OG1 THR A 470 4.360 5.719 -3.963 1.00 0.00 O ATOM 327 CG2 THR A 470 4.200 5.283 -1.643 1.00 0.00 C ATOM 0 H THR A 470 5.199 3.435 -3.420 1.00 0.00 H new ATOM 0 HA THR A 470 2.582 3.280 -2.508 1.00 0.00 H new ATOM 0 HB THR A 470 2.559 5.708 -2.929 1.00 0.00 H new ATOM 0 HG1 THR A 470 4.590 6.639 -3.715 1.00 0.00 H new ATOM 0 HG21 THR A 470 4.441 6.328 -1.449 1.00 0.00 H new ATOM 0 HG22 THR A 470 3.544 4.910 -0.857 1.00 0.00 H new ATOM 0 HG23 THR A 470 5.118 4.696 -1.658 1.00 0.00 H new ATOM 335 N LYS A 471 2.805 3.918 -5.738 1.00 0.00 N ATOM 336 CA LYS A 471 2.046 3.936 -6.983 1.00 0.00 C ATOM 337 C LYS A 471 1.314 2.614 -7.195 1.00 0.00 C ATOM 338 O LYS A 471 0.159 2.594 -7.622 1.00 0.00 O ATOM 339 CB LYS A 471 2.974 4.213 -8.167 1.00 0.00 C ATOM 340 CG LYS A 471 2.238 4.441 -9.477 1.00 0.00 C ATOM 341 CD LYS A 471 3.185 4.387 -10.664 1.00 0.00 C ATOM 342 CE LYS A 471 4.117 5.587 -10.688 1.00 0.00 C ATOM 343 NZ LYS A 471 4.455 6.000 -12.078 1.00 0.00 N ATOM 0 H LYS A 471 3.808 4.066 -5.853 1.00 0.00 H new ATOM 0 HA LYS A 471 1.306 4.733 -6.915 1.00 0.00 H new ATOM 0 HB2 LYS A 471 3.582 5.090 -7.944 1.00 0.00 H new ATOM 0 HB3 LYS A 471 3.658 3.373 -8.286 1.00 0.00 H new ATOM 0 HG2 LYS A 471 1.461 3.686 -9.595 1.00 0.00 H new ATOM 0 HG3 LYS A 471 1.739 5.410 -9.452 1.00 0.00 H new ATOM 0 HD2 LYS A 471 3.772 3.470 -10.621 1.00 0.00 H new ATOM 0 HD3 LYS A 471 2.609 4.354 -11.589 1.00 0.00 H new ATOM 0 HE2 LYS A 471 3.649 6.421 -10.165 1.00 0.00 H new ATOM 0 HE3 LYS A 471 5.033 5.346 -10.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 5.092 6.821 -12.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 4.925 5.213 -12.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 3.584 6.254 -12.586 1.00 0.00 H new ATOM 357 N ASP A 472 1.993 1.512 -6.895 1.00 0.00 N ATOM 358 CA ASP A 472 1.407 0.186 -7.054 1.00 0.00 C ATOM 359 C ASP A 472 0.198 0.010 -6.142 1.00 0.00 C ATOM 360 O ASP A 472 -0.772 -0.656 -6.502 1.00 0.00 O ATOM 361 CB ASP A 472 2.448 -0.894 -6.755 1.00 0.00 C ATOM 362 CG ASP A 472 1.943 -2.290 -7.067 1.00 0.00 C ATOM 363 OD1 ASP A 472 0.797 -2.415 -7.548 1.00 0.00 O ATOM 364 OD2 ASP A 472 2.694 -3.260 -6.828 1.00 0.00 O ATOM 0 H ASP A 472 2.949 1.511 -6.540 1.00 0.00 H new ATOM 0 HA ASP A 472 1.076 0.086 -8.088 1.00 0.00 H new ATOM 0 HB2 ASP A 472 3.348 -0.698 -7.338 1.00 0.00 H new ATOM 0 HB3 ASP A 472 2.731 -0.840 -5.704 1.00 0.00 H new ATOM 369 N LEU A 473 0.264 0.611 -4.958 1.00 0.00 N ATOM 370 CA LEU A 473 -0.826 0.520 -3.993 1.00 0.00 C ATOM 371 C LEU A 473 -2.123 1.068 -4.580 1.00 0.00 C ATOM 372 O LEU A 473 -3.183 0.456 -4.447 1.00 0.00 O ATOM 373 CB LEU A 473 -0.469 1.282 -2.715 1.00 0.00 C ATOM 374 CG LEU A 473 0.741 0.740 -1.954 1.00 0.00 C ATOM 375 CD1 LEU A 473 0.956 1.521 -0.667 1.00 0.00 C ATOM 376 CD2 LEU A 473 0.563 -0.741 -1.657 1.00 0.00 C ATOM 0 H LEU A 473 1.060 1.166 -4.644 1.00 0.00 H new ATOM 0 HA LEU A 473 -0.975 -0.532 -3.751 1.00 0.00 H new ATOM 0 HB2 LEU A 473 -0.280 2.324 -2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -1.332 1.270 -2.050 1.00 0.00 H new ATOM 0 HG LEU A 473 1.625 0.862 -2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 473 1.822 1.121 -0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 473 1.128 2.571 -0.903 1.00 0.00 H new ATOM 0 HD13 LEU A 473 0.072 1.432 -0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 473 1.433 -1.111 -1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 473 -0.331 -0.886 -1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 473 0.459 -1.290 -2.593 1.00 0.00 H new ATOM 388 N LEU A 474 -2.032 2.223 -5.230 1.00 0.00 N ATOM 389 CA LEU A 474 -3.199 2.851 -5.838 1.00 0.00 C ATOM 390 C LEU A 474 -3.713 2.024 -7.012 1.00 0.00 C ATOM 391 O LEU A 474 -4.920 1.845 -7.177 1.00 0.00 O ATOM 392 CB LEU A 474 -2.857 4.267 -6.307 1.00 0.00 C ATOM 393 CG LEU A 474 -2.419 5.228 -5.201 1.00 0.00 C ATOM 394 CD1 LEU A 474 -2.171 6.617 -5.769 1.00 0.00 C ATOM 395 CD2 LEU A 474 -3.466 5.281 -4.098 1.00 0.00 C ATOM 0 H LEU A 474 -1.163 2.743 -5.349 1.00 0.00 H new ATOM 0 HA LEU A 474 -3.984 2.905 -5.084 1.00 0.00 H new ATOM 0 HB2 LEU A 474 -2.061 4.205 -7.049 1.00 0.00 H new ATOM 0 HB3 LEU A 474 -3.729 4.688 -6.808 1.00 0.00 H new ATOM 0 HG LEU A 474 -1.486 4.861 -4.773 1.00 0.00 H new ATOM 0 HD11 LEU A 474 -1.860 7.288 -4.968 1.00 0.00 H new ATOM 0 HD12 LEU A 474 -1.387 6.566 -6.525 1.00 0.00 H new ATOM 0 HD13 LEU A 474 -3.088 6.994 -6.222 1.00 0.00 H new ATOM 0 HD21 LEU A 474 -3.139 5.969 -3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 474 -4.414 5.625 -4.512 1.00 0.00 H new ATOM 0 HD23 LEU A 474 -3.596 4.286 -3.672 1.00 0.00 H new ATOM 407 N LYS A 475 -2.789 1.522 -7.824 1.00 0.00 N ATOM 408 CA LYS A 475 -3.147 0.713 -8.983 1.00 0.00 C ATOM 409 C LYS A 475 -3.894 -0.548 -8.559 1.00 0.00 C ATOM 410 O LYS A 475 -4.762 -1.039 -9.280 1.00 0.00 O ATOM 411 CB LYS A 475 -1.894 0.335 -9.775 1.00 0.00 C ATOM 412 CG LYS A 475 -1.177 1.528 -10.385 1.00 0.00 C ATOM 413 CD LYS A 475 0.045 1.097 -11.180 1.00 0.00 C ATOM 414 CE LYS A 475 -0.349 0.387 -12.465 1.00 0.00 C ATOM 415 NZ LYS A 475 -1.348 1.167 -13.248 1.00 0.00 N ATOM 0 H LYS A 475 -1.786 1.661 -7.701 1.00 0.00 H new ATOM 0 HA LYS A 475 -3.805 1.306 -9.618 1.00 0.00 H new ATOM 0 HB2 LYS A 475 -1.205 -0.195 -9.118 1.00 0.00 H new ATOM 0 HB3 LYS A 475 -2.172 -0.357 -10.570 1.00 0.00 H new ATOM 0 HG2 LYS A 475 -1.862 2.072 -11.035 1.00 0.00 H new ATOM 0 HG3 LYS A 475 -0.874 2.215 -9.595 1.00 0.00 H new ATOM 0 HD2 LYS A 475 0.653 1.970 -11.417 1.00 0.00 H new ATOM 0 HD3 LYS A 475 0.661 0.435 -10.572 1.00 0.00 H new ATOM 0 HE2 LYS A 475 0.539 0.220 -13.074 1.00 0.00 H new ATOM 0 HE3 LYS A 475 -0.761 -0.594 -12.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 -1.192 1.009 -14.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 -2.307 0.858 -12.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 -1.242 2.179 -13.035 1.00 0.00 H new ATOM 429 N LYS A 476 -3.547 -1.067 -7.386 1.00 0.00 N ATOM 430 CA LYS A 476 -4.183 -2.272 -6.866 1.00 0.00 C ATOM 431 C LYS A 476 -5.682 -2.062 -6.674 1.00 0.00 C ATOM 432 O LYS A 476 -6.477 -2.980 -6.874 1.00 0.00 O ATOM 433 CB LYS A 476 -3.539 -2.680 -5.540 1.00 0.00 C ATOM 434 CG LYS A 476 -4.018 -4.025 -5.020 1.00 0.00 C ATOM 435 CD LYS A 476 -3.416 -5.175 -5.811 1.00 0.00 C ATOM 436 CE LYS A 476 -3.857 -6.521 -5.262 1.00 0.00 C ATOM 437 NZ LYS A 476 -5.005 -7.084 -6.026 1.00 0.00 N ATOM 0 H LYS A 476 -2.829 -0.672 -6.778 1.00 0.00 H new ATOM 0 HA LYS A 476 -4.040 -3.070 -7.594 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -2.457 -2.713 -5.666 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -3.750 -1.915 -4.793 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -3.750 -4.126 -3.968 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -5.105 -4.072 -5.078 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -3.712 -5.093 -6.857 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -2.328 -5.108 -5.782 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -3.021 -7.219 -5.297 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -4.137 -6.412 -4.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 -5.275 -8.002 -5.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -5.812 -6.430 -5.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -4.730 -7.213 -7.021 1.00 0.00 H new ATOM 451 N PHE A 477 -6.061 -0.851 -6.280 1.00 0.00 N ATOM 452 CA PHE A 477 -7.466 -0.526 -6.057 1.00 0.00 C ATOM 453 C PHE A 477 -8.028 0.333 -7.189 1.00 0.00 C ATOM 454 O PHE A 477 -9.095 0.932 -7.051 1.00 0.00 O ATOM 455 CB PHE A 477 -7.635 0.201 -4.721 1.00 0.00 C ATOM 456 CG PHE A 477 -7.230 -0.624 -3.533 1.00 0.00 C ATOM 457 CD1 PHE A 477 -5.926 -0.598 -3.066 1.00 0.00 C ATOM 458 CD2 PHE A 477 -8.155 -1.427 -2.883 1.00 0.00 C ATOM 459 CE1 PHE A 477 -5.551 -1.356 -1.974 1.00 0.00 C ATOM 460 CE2 PHE A 477 -7.785 -2.187 -1.790 1.00 0.00 C ATOM 461 CZ PHE A 477 -6.481 -2.152 -1.335 1.00 0.00 C ATOM 0 H PHE A 477 -5.417 -0.079 -6.109 1.00 0.00 H new ATOM 0 HA PHE A 477 -8.023 -1.462 -6.033 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -7.042 1.116 -4.737 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -8.677 0.499 -4.608 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -5.194 0.022 -3.562 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -9.176 -1.459 -3.235 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -4.531 -1.326 -1.620 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -8.515 -2.808 -1.292 1.00 0.00 H new ATOM 0 HZ PHE A 477 -6.190 -2.746 -0.481 1.00 0.00 H new ATOM 471 N GLN A 478 -7.311 0.390 -8.309 1.00 0.00 N ATOM 472 CA GLN A 478 -7.752 1.177 -9.455 1.00 0.00 C ATOM 473 C GLN A 478 -8.933 0.509 -10.153 1.00 0.00 C ATOM 474 O GLN A 478 -9.792 1.182 -10.722 1.00 0.00 O ATOM 475 CB GLN A 478 -6.602 1.369 -10.446 1.00 0.00 C ATOM 476 CG GLN A 478 -5.805 2.642 -10.212 1.00 0.00 C ATOM 477 CD GLN A 478 -6.674 3.885 -10.227 1.00 0.00 C ATOM 478 OE1 GLN A 478 -7.414 4.127 -11.181 1.00 0.00 O ATOM 479 NE2 GLN A 478 -6.588 4.680 -9.167 1.00 0.00 N ATOM 0 H GLN A 478 -6.426 -0.098 -8.446 1.00 0.00 H new ATOM 0 HA GLN A 478 -8.073 2.153 -9.089 1.00 0.00 H new ATOM 0 HB2 GLN A 478 -5.931 0.513 -10.381 1.00 0.00 H new ATOM 0 HB3 GLN A 478 -7.004 1.383 -11.459 1.00 0.00 H new ATOM 0 HG2 GLN A 478 -5.292 2.574 -9.253 1.00 0.00 H new ATOM 0 HG3 GLN A 478 -5.036 2.731 -10.980 1.00 0.00 H new ATOM 0 HE21 GLN A 478 -5.961 4.440 -8.399 1.00 0.00 H new ATOM 0 HE22 GLN A 478 -7.149 5.531 -9.121 1.00 0.00 H new ATOM 488 N THR A 479 -8.969 -0.819 -10.105 1.00 0.00 N ATOM 489 CA THR A 479 -10.045 -1.577 -10.733 1.00 0.00 C ATOM 490 C THR A 479 -11.064 -2.044 -9.697 1.00 0.00 C ATOM 491 O THR A 479 -11.766 -3.033 -9.907 1.00 0.00 O ATOM 492 CB THR A 479 -9.476 -2.782 -11.483 1.00 0.00 C ATOM 493 OG1 THR A 479 -8.977 -3.748 -10.575 1.00 0.00 O ATOM 494 CG2 THR A 479 -8.353 -2.421 -12.432 1.00 0.00 C ATOM 0 H THR A 479 -8.266 -1.392 -9.638 1.00 0.00 H new ATOM 0 HA THR A 479 -10.551 -0.920 -11.441 1.00 0.00 H new ATOM 0 HB THR A 479 -10.308 -3.179 -12.065 1.00 0.00 H new ATOM 0 HG1 THR A 479 -8.619 -4.512 -11.074 1.00 0.00 H new ATOM 0 HG21 THR A 479 -7.995 -3.321 -12.931 1.00 0.00 H new ATOM 0 HG22 THR A 479 -8.719 -1.714 -13.177 1.00 0.00 H new ATOM 0 HG23 THR A 479 -7.535 -1.967 -11.872 1.00 0.00 H new ATOM 502 N LYS A 480 -11.141 -1.326 -8.581 1.00 0.00 N ATOM 503 CA LYS A 480 -12.076 -1.669 -7.515 1.00 0.00 C ATOM 504 C LYS A 480 -12.876 -0.445 -7.080 1.00 0.00 C ATOM 505 O LYS A 480 -12.325 0.643 -6.918 1.00 0.00 O ATOM 506 CB LYS A 480 -11.326 -2.254 -6.318 1.00 0.00 C ATOM 507 CG LYS A 480 -10.609 -3.558 -6.628 1.00 0.00 C ATOM 508 CD LYS A 480 -9.973 -4.154 -5.383 1.00 0.00 C ATOM 509 CE LYS A 480 -9.158 -5.394 -5.712 1.00 0.00 C ATOM 510 NZ LYS A 480 -10.004 -6.482 -6.275 1.00 0.00 N ATOM 0 H LYS A 480 -10.568 -0.504 -8.391 1.00 0.00 H new ATOM 0 HA LYS A 480 -12.769 -2.417 -7.900 1.00 0.00 H new ATOM 0 HB2 LYS A 480 -10.598 -1.524 -5.964 1.00 0.00 H new ATOM 0 HB3 LYS A 480 -12.032 -2.421 -5.504 1.00 0.00 H new ATOM 0 HG2 LYS A 480 -11.316 -4.271 -7.053 1.00 0.00 H new ATOM 0 HG3 LYS A 480 -9.841 -3.382 -7.381 1.00 0.00 H new ATOM 0 HD2 LYS A 480 -9.331 -3.411 -4.910 1.00 0.00 H new ATOM 0 HD3 LYS A 480 -10.750 -4.409 -4.663 1.00 0.00 H new ATOM 0 HE2 LYS A 480 -8.376 -5.136 -6.426 1.00 0.00 H new ATOM 0 HE3 LYS A 480 -8.660 -5.751 -4.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 480 -9.445 -7.356 -6.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 480 -10.823 -6.642 -5.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 480 -10.336 -6.209 -7.222 1.00 0.00 H new ATOM 524 N LYS A 481 -14.179 -0.631 -6.894 1.00 0.00 N ATOM 525 CA LYS A 481 -15.053 0.459 -6.478 1.00 0.00 C ATOM 526 C LYS A 481 -15.274 0.435 -4.969 1.00 0.00 C ATOM 527 O LYS A 481 -16.071 -0.354 -4.460 1.00 0.00 O ATOM 528 CB LYS A 481 -16.397 0.368 -7.203 1.00 0.00 C ATOM 529 CG LYS A 481 -17.288 1.580 -6.988 1.00 0.00 C ATOM 530 CD LYS A 481 -18.630 1.416 -7.683 1.00 0.00 C ATOM 531 CE LYS A 481 -19.458 2.688 -7.604 1.00 0.00 C ATOM 532 NZ LYS A 481 -19.635 3.150 -6.200 1.00 0.00 N ATOM 0 H LYS A 481 -14.652 -1.525 -7.025 1.00 0.00 H new ATOM 0 HA LYS A 481 -14.569 1.399 -6.741 1.00 0.00 H new ATOM 0 HB2 LYS A 481 -16.217 0.245 -8.271 1.00 0.00 H new ATOM 0 HB3 LYS A 481 -16.923 -0.524 -6.864 1.00 0.00 H new ATOM 0 HG2 LYS A 481 -17.446 1.732 -5.920 1.00 0.00 H new ATOM 0 HG3 LYS A 481 -16.788 2.472 -7.366 1.00 0.00 H new ATOM 0 HD2 LYS A 481 -18.470 1.149 -8.728 1.00 0.00 H new ATOM 0 HD3 LYS A 481 -19.180 0.594 -7.225 1.00 0.00 H new ATOM 0 HE2 LYS A 481 -18.974 3.473 -8.186 1.00 0.00 H new ATOM 0 HE3 LYS A 481 -20.435 2.513 -8.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 -20.351 3.903 -6.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 -19.946 2.353 -5.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 -18.731 3.517 -5.839 1.00 0.00 H new ATOM 546 N THR A 482 -14.562 1.304 -4.259 1.00 0.00 N ATOM 547 CA THR A 482 -14.680 1.384 -2.807 1.00 0.00 C ATOM 548 C THR A 482 -15.767 2.375 -2.400 1.00 0.00 C ATOM 549 O THR A 482 -16.338 2.272 -1.314 1.00 0.00 O ATOM 550 CB THR A 482 -13.343 1.795 -2.189 1.00 0.00 C ATOM 551 OG1 THR A 482 -12.993 3.111 -2.580 1.00 0.00 O ATOM 552 CG2 THR A 482 -12.199 0.882 -2.575 1.00 0.00 C ATOM 0 H THR A 482 -13.897 1.963 -4.665 1.00 0.00 H new ATOM 0 HA THR A 482 -14.958 0.397 -2.436 1.00 0.00 H new ATOM 0 HB THR A 482 -13.491 1.729 -1.111 1.00 0.00 H new ATOM 0 HG1 THR A 482 -12.136 3.356 -2.173 1.00 0.00 H new ATOM 0 HG21 THR A 482 -11.280 1.230 -2.103 1.00 0.00 H new ATOM 0 HG22 THR A 482 -12.416 -0.133 -2.243 1.00 0.00 H new ATOM 0 HG23 THR A 482 -12.076 0.891 -3.658 1.00 0.00 H new ATOM 560 N GLY A 483 -16.049 3.334 -3.276 1.00 0.00 N ATOM 561 CA GLY A 483 -17.066 4.328 -2.986 1.00 0.00 C ATOM 562 C GLY A 483 -16.477 5.697 -2.708 1.00 0.00 C ATOM 563 O GLY A 483 -17.136 6.717 -2.911 1.00 0.00 O ATOM 0 H GLY A 483 -15.591 3.441 -4.181 1.00 0.00 H new ATOM 0 HA2 GLY A 483 -17.754 4.396 -3.829 1.00 0.00 H new ATOM 0 HA3 GLY A 483 -17.650 4.005 -2.124 1.00 0.00 H new ATOM 567 N LEU A 484 -15.232 5.721 -2.243 1.00 0.00 N ATOM 568 CA LEU A 484 -14.554 6.976 -1.938 1.00 0.00 C ATOM 569 C LEU A 484 -13.642 7.394 -3.087 1.00 0.00 C ATOM 570 O LEU A 484 -13.090 6.550 -3.792 1.00 0.00 O ATOM 571 CB LEU A 484 -13.740 6.840 -0.649 1.00 0.00 C ATOM 572 CG LEU A 484 -14.525 6.338 0.564 1.00 0.00 C ATOM 573 CD1 LEU A 484 -13.591 6.093 1.739 1.00 0.00 C ATOM 574 CD2 LEU A 484 -15.612 7.333 0.944 1.00 0.00 C ATOM 0 H LEU A 484 -14.672 4.886 -2.069 1.00 0.00 H new ATOM 0 HA LEU A 484 -15.313 7.746 -1.801 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -12.909 6.158 -0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -13.308 7.811 -0.406 1.00 0.00 H new ATOM 0 HG LEU A 484 -15.000 5.393 0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -14.167 5.736 2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -12.848 5.344 1.464 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -13.088 7.023 2.004 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -16.161 6.960 1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -15.157 8.293 1.189 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -16.298 7.460 0.106 1.00 0.00 H new ATOM 586 N SER A 485 -13.488 8.701 -3.268 1.00 0.00 N ATOM 587 CA SER A 485 -12.643 9.231 -4.332 1.00 0.00 C ATOM 588 C SER A 485 -11.205 8.745 -4.178 1.00 0.00 C ATOM 589 O SER A 485 -10.783 8.360 -3.087 1.00 0.00 O ATOM 590 CB SER A 485 -12.679 10.760 -4.327 1.00 0.00 C ATOM 591 OG SER A 485 -14.007 11.240 -4.443 1.00 0.00 O ATOM 0 H SER A 485 -13.937 9.413 -2.692 1.00 0.00 H new ATOM 0 HA SER A 485 -13.031 8.868 -5.284 1.00 0.00 H new ATOM 0 HB2 SER A 485 -12.233 11.134 -3.405 1.00 0.00 H new ATOM 0 HB3 SER A 485 -12.077 11.144 -5.151 1.00 0.00 H new ATOM 0 HG SER A 485 -14.002 12.220 -4.436 1.00 0.00 H new ATOM 597 N SER A 486 -10.458 8.763 -5.276 1.00 0.00 N ATOM 598 CA SER A 486 -9.067 8.323 -5.263 1.00 0.00 C ATOM 599 C SER A 486 -8.242 9.154 -4.284 1.00 0.00 C ATOM 600 O SER A 486 -7.315 8.647 -3.653 1.00 0.00 O ATOM 601 CB SER A 486 -8.465 8.421 -6.666 1.00 0.00 C ATOM 602 OG SER A 486 -8.334 9.772 -7.072 1.00 0.00 O ATOM 0 H SER A 486 -10.792 9.078 -6.187 1.00 0.00 H new ATOM 0 HA SER A 486 -9.045 7.283 -4.938 1.00 0.00 H new ATOM 0 HB2 SER A 486 -7.488 7.937 -6.680 1.00 0.00 H new ATOM 0 HB3 SER A 486 -9.097 7.885 -7.374 1.00 0.00 H new ATOM 0 HG SER A 486 -7.945 9.807 -7.971 1.00 0.00 H new ATOM 608 N GLU A 487 -8.587 10.432 -4.164 1.00 0.00 N ATOM 609 CA GLU A 487 -7.878 11.332 -3.262 1.00 0.00 C ATOM 610 C GLU A 487 -8.052 10.894 -1.811 1.00 0.00 C ATOM 611 O GLU A 487 -7.121 10.978 -1.011 1.00 0.00 O ATOM 612 CB GLU A 487 -8.382 12.766 -3.438 1.00 0.00 C ATOM 613 CG GLU A 487 -7.595 13.790 -2.635 1.00 0.00 C ATOM 614 CD GLU A 487 -8.168 15.190 -2.750 1.00 0.00 C ATOM 615 OE1 GLU A 487 -9.207 15.354 -3.425 1.00 0.00 O ATOM 616 OE2 GLU A 487 -7.578 16.122 -2.165 1.00 0.00 O ATOM 0 H GLU A 487 -9.352 10.867 -4.679 1.00 0.00 H new ATOM 0 HA GLU A 487 -6.817 11.295 -3.510 1.00 0.00 H new ATOM 0 HB2 GLU A 487 -8.336 13.031 -4.494 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -9.430 12.813 -3.143 1.00 0.00 H new ATOM 0 HG2 GLU A 487 -7.583 13.492 -1.587 1.00 0.00 H new ATOM 0 HG3 GLU A 487 -6.560 13.796 -2.977 1.00 0.00 H new ATOM 623 N GLN A 488 -9.252 10.427 -1.479 1.00 0.00 N ATOM 624 CA GLN A 488 -9.549 9.976 -0.125 1.00 0.00 C ATOM 625 C GLN A 488 -8.667 8.792 0.259 1.00 0.00 C ATOM 626 O GLN A 488 -8.252 8.662 1.410 1.00 0.00 O ATOM 627 CB GLN A 488 -11.024 9.588 -0.006 1.00 0.00 C ATOM 628 CG GLN A 488 -11.979 10.739 -0.277 1.00 0.00 C ATOM 629 CD GLN A 488 -11.759 11.912 0.658 1.00 0.00 C ATOM 630 OE1 GLN A 488 -11.679 11.744 1.875 1.00 0.00 O ATOM 631 NE2 GLN A 488 -11.660 13.110 0.093 1.00 0.00 N ATOM 0 H GLN A 488 -10.034 10.351 -2.130 1.00 0.00 H new ATOM 0 HA GLN A 488 -9.341 10.798 0.559 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -11.236 8.779 -0.705 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -11.210 9.201 0.996 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -11.857 11.073 -1.307 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -13.005 10.386 -0.176 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -11.732 13.204 -0.920 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -11.512 13.936 0.672 1.00 0.00 H new ATOM 640 N THR A 489 -8.386 7.930 -0.714 1.00 0.00 N ATOM 641 CA THR A 489 -7.554 6.756 -0.478 1.00 0.00 C ATOM 642 C THR A 489 -6.169 7.161 0.018 1.00 0.00 C ATOM 643 O THR A 489 -5.584 6.492 0.870 1.00 0.00 O ATOM 644 CB THR A 489 -7.427 5.930 -1.759 1.00 0.00 C ATOM 645 OG1 THR A 489 -8.706 5.600 -2.271 1.00 0.00 O ATOM 646 CG2 THR A 489 -6.662 4.639 -1.566 1.00 0.00 C ATOM 0 H THR A 489 -8.722 8.023 -1.672 1.00 0.00 H new ATOM 0 HA THR A 489 -8.033 6.151 0.291 1.00 0.00 H new ATOM 0 HB THR A 489 -6.873 6.560 -2.455 1.00 0.00 H new ATOM 0 HG1 THR A 489 -8.604 5.073 -3.091 1.00 0.00 H new ATOM 0 HG21 THR A 489 -6.609 4.102 -2.513 1.00 0.00 H new ATOM 0 HG22 THR A 489 -5.653 4.862 -1.219 1.00 0.00 H new ATOM 0 HG23 THR A 489 -7.172 4.021 -0.827 1.00 0.00 H new ATOM 654 N VAL A 490 -5.652 8.260 -0.520 1.00 0.00 N ATOM 655 CA VAL A 490 -4.337 8.754 -0.131 1.00 0.00 C ATOM 656 C VAL A 490 -4.317 9.163 1.338 1.00 0.00 C ATOM 657 O VAL A 490 -3.336 8.930 2.044 1.00 0.00 O ATOM 658 CB VAL A 490 -3.911 9.957 -0.995 1.00 0.00 C ATOM 659 CG1 VAL A 490 -2.487 10.379 -0.664 1.00 0.00 C ATOM 660 CG2 VAL A 490 -4.045 9.627 -2.474 1.00 0.00 C ATOM 0 H VAL A 490 -6.123 8.825 -1.226 1.00 0.00 H new ATOM 0 HA VAL A 490 -3.632 7.937 -0.287 1.00 0.00 H new ATOM 0 HB VAL A 490 -4.574 10.793 -0.770 1.00 0.00 H new ATOM 0 HG11 VAL A 490 -2.206 11.230 -1.285 1.00 0.00 H new ATOM 0 HG12 VAL A 490 -2.426 10.661 0.387 1.00 0.00 H new ATOM 0 HG13 VAL A 490 -1.807 9.549 -0.857 1.00 0.00 H new ATOM 0 HG21 VAL A 490 -3.740 10.488 -3.068 1.00 0.00 H new ATOM 0 HG22 VAL A 490 -3.409 8.776 -2.716 1.00 0.00 H new ATOM 0 HG23 VAL A 490 -5.083 9.380 -2.699 1.00 0.00 H new ATOM 670 N ASN A 491 -5.406 9.775 1.792 1.00 0.00 N ATOM 671 CA ASN A 491 -5.513 10.217 3.178 1.00 0.00 C ATOM 672 C ASN A 491 -5.357 9.043 4.140 1.00 0.00 C ATOM 673 O ASN A 491 -4.595 9.115 5.104 1.00 0.00 O ATOM 674 CB ASN A 491 -6.858 10.907 3.413 1.00 0.00 C ATOM 675 CG ASN A 491 -6.916 11.622 4.748 1.00 0.00 C ATOM 676 OD1 ASN A 491 -5.984 11.544 5.548 1.00 0.00 O ATOM 677 ND2 ASN A 491 -8.015 12.325 4.996 1.00 0.00 N ATOM 0 H ASN A 491 -6.227 9.976 1.221 1.00 0.00 H new ATOM 0 HA ASN A 491 -4.709 10.928 3.368 1.00 0.00 H new ATOM 0 HB2 ASN A 491 -7.040 11.624 2.612 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -7.656 10.166 3.366 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -8.111 12.828 5.878 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -8.764 12.362 4.304 1.00 0.00 H new ATOM 684 N VAL A 492 -6.081 7.962 3.870 1.00 0.00 N ATOM 685 CA VAL A 492 -6.021 6.773 4.711 1.00 0.00 C ATOM 686 C VAL A 492 -4.745 5.982 4.443 1.00 0.00 C ATOM 687 O VAL A 492 -4.050 5.565 5.369 1.00 0.00 O ATOM 688 CB VAL A 492 -7.258 5.870 4.492 1.00 0.00 C ATOM 689 CG1 VAL A 492 -7.093 4.962 3.279 1.00 0.00 C ATOM 690 CG2 VAL A 492 -7.550 5.054 5.742 1.00 0.00 C ATOM 0 H VAL A 492 -6.716 7.885 3.075 1.00 0.00 H new ATOM 0 HA VAL A 492 -6.016 7.106 5.749 1.00 0.00 H new ATOM 0 HB VAL A 492 -8.109 6.522 4.293 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -7.984 4.345 3.162 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -6.953 5.570 2.385 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -6.224 4.320 3.421 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -8.423 4.425 5.570 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -6.690 4.426 5.976 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -7.746 5.726 6.578 1.00 0.00 H new ATOM 700 N LEU A 493 -4.450 5.784 3.166 1.00 0.00 N ATOM 701 CA LEU A 493 -3.261 5.045 2.756 1.00 0.00 C ATOM 702 C LEU A 493 -1.996 5.717 3.280 1.00 0.00 C ATOM 703 O LEU A 493 -0.996 5.054 3.552 1.00 0.00 O ATOM 704 CB LEU A 493 -3.203 4.937 1.231 1.00 0.00 C ATOM 705 CG LEU A 493 -2.154 3.964 0.690 1.00 0.00 C ATOM 706 CD1 LEU A 493 -2.660 3.281 -0.571 1.00 0.00 C ATOM 707 CD2 LEU A 493 -0.846 4.690 0.417 1.00 0.00 C ATOM 0 H LEU A 493 -5.020 6.126 2.392 1.00 0.00 H new ATOM 0 HA LEU A 493 -3.321 4.043 3.181 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -4.183 4.630 0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -3.005 5.927 0.819 1.00 0.00 H new ATOM 0 HG LEU A 493 -1.972 3.199 1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -1.901 2.593 -0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -3.572 2.728 -0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -2.871 4.032 -1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -0.111 3.983 0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -1.013 5.476 -0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -0.475 5.132 1.342 1.00 0.00 H new ATOM 719 N ALA A 494 -2.045 7.037 3.419 1.00 0.00 N ATOM 720 CA ALA A 494 -0.901 7.795 3.911 1.00 0.00 C ATOM 721 C ALA A 494 -0.735 7.619 5.416 1.00 0.00 C ATOM 722 O ALA A 494 0.384 7.544 5.923 1.00 0.00 O ATOM 723 CB ALA A 494 -1.054 9.268 3.562 1.00 0.00 C ATOM 0 H ALA A 494 -2.864 7.604 3.198 1.00 0.00 H new ATOM 0 HA ALA A 494 -0.004 7.411 3.425 1.00 0.00 H new ATOM 0 HB1 ALA A 494 -0.193 9.822 3.936 1.00 0.00 H new ATOM 0 HB2 ALA A 494 -1.116 9.381 2.480 1.00 0.00 H new ATOM 0 HB3 ALA A 494 -1.963 9.658 4.020 1.00 0.00 H new ATOM 729 N GLN A 495 -1.857 7.556 6.124 1.00 0.00 N ATOM 730 CA GLN A 495 -1.841 7.391 7.573 1.00 0.00 C ATOM 731 C GLN A 495 -1.548 5.943 7.959 1.00 0.00 C ATOM 732 O GLN A 495 -0.930 5.679 8.990 1.00 0.00 O ATOM 733 CB GLN A 495 -3.179 7.828 8.171 1.00 0.00 C ATOM 734 CG GLN A 495 -3.453 9.316 8.027 1.00 0.00 C ATOM 735 CD GLN A 495 -4.785 9.724 8.624 1.00 0.00 C ATOM 736 OE1 GLN A 495 -5.831 9.588 7.989 1.00 0.00 O ATOM 737 NE2 GLN A 495 -4.754 10.229 9.852 1.00 0.00 N ATOM 0 H GLN A 495 -2.791 7.617 5.718 1.00 0.00 H new ATOM 0 HA GLN A 495 -1.046 8.020 7.974 1.00 0.00 H new ATOM 0 HB2 GLN A 495 -3.982 7.271 7.689 1.00 0.00 H new ATOM 0 HB3 GLN A 495 -3.198 7.564 9.228 1.00 0.00 H new ATOM 0 HG2 GLN A 495 -2.654 9.877 8.512 1.00 0.00 H new ATOM 0 HG3 GLN A 495 -3.435 9.584 6.971 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -3.865 10.324 10.342 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -5.620 10.522 10.305 1.00 0.00 H new ATOM 746 N ILE A 496 -1.999 5.009 7.128 1.00 0.00 N ATOM 747 CA ILE A 496 -1.787 3.591 7.389 1.00 0.00 C ATOM 748 C ILE A 496 -0.316 3.217 7.227 1.00 0.00 C ATOM 749 O ILE A 496 0.243 2.476 8.037 1.00 0.00 O ATOM 750 CB ILE A 496 -2.663 2.714 6.460 1.00 0.00 C ATOM 751 CG1 ILE A 496 -3.092 1.438 7.185 1.00 0.00 C ATOM 752 CG2 ILE A 496 -1.941 2.372 5.162 1.00 0.00 C ATOM 753 CD1 ILE A 496 -4.364 0.830 6.637 1.00 0.00 C ATOM 0 H ILE A 496 -2.513 5.209 6.270 1.00 0.00 H new ATOM 0 HA ILE A 496 -2.082 3.402 8.421 1.00 0.00 H new ATOM 0 HB ILE A 496 -3.551 3.291 6.200 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -2.289 0.704 7.117 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -3.232 1.660 8.243 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -2.588 1.756 4.537 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -1.692 3.291 4.631 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -1.026 1.824 5.388 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -4.608 -0.072 7.199 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -5.180 1.547 6.730 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -4.223 0.576 5.587 1.00 0.00 H new ATOM 765 N LEU A 497 0.300 3.734 6.172 1.00 0.00 N ATOM 766 CA LEU A 497 1.705 3.457 5.892 1.00 0.00 C ATOM 767 C LEU A 497 2.602 3.954 7.022 1.00 0.00 C ATOM 768 O LEU A 497 3.490 3.236 7.482 1.00 0.00 O ATOM 769 CB LEU A 497 2.123 4.109 4.572 1.00 0.00 C ATOM 770 CG LEU A 497 1.544 3.457 3.315 1.00 0.00 C ATOM 771 CD1 LEU A 497 1.825 4.316 2.092 1.00 0.00 C ATOM 772 CD2 LEU A 497 2.115 2.059 3.129 1.00 0.00 C ATOM 0 H LEU A 497 -0.151 4.349 5.494 1.00 0.00 H new ATOM 0 HA LEU A 497 1.822 2.376 5.812 1.00 0.00 H new ATOM 0 HB2 LEU A 497 1.822 5.157 4.591 1.00 0.00 H new ATOM 0 HB3 LEU A 497 3.211 4.091 4.504 1.00 0.00 H new ATOM 0 HG LEU A 497 0.464 3.374 3.436 1.00 0.00 H new ATOM 0 HD11 LEU A 497 1.406 3.837 1.207 1.00 0.00 H new ATOM 0 HD12 LEU A 497 1.369 5.297 2.224 1.00 0.00 H new ATOM 0 HD13 LEU A 497 2.902 4.430 1.967 1.00 0.00 H new ATOM 0 HD21 LEU A 497 1.692 1.610 2.230 1.00 0.00 H new ATOM 0 HD22 LEU A 497 3.199 2.119 3.029 1.00 0.00 H new ATOM 0 HD23 LEU A 497 1.863 1.445 3.994 1.00 0.00 H new ATOM 784 N LYS A 498 2.368 5.185 7.464 1.00 0.00 N ATOM 785 CA LYS A 498 3.161 5.773 8.538 1.00 0.00 C ATOM 786 C LYS A 498 3.049 4.946 9.815 1.00 0.00 C ATOM 787 O LYS A 498 4.043 4.704 10.498 1.00 0.00 O ATOM 788 CB LYS A 498 2.716 7.212 8.806 1.00 0.00 C ATOM 789 CG LYS A 498 1.235 7.344 9.117 1.00 0.00 C ATOM 790 CD LYS A 498 0.872 8.771 9.497 1.00 0.00 C ATOM 791 CE LYS A 498 0.915 9.696 8.292 1.00 0.00 C ATOM 792 NZ LYS A 498 0.168 10.961 8.536 1.00 0.00 N ATOM 0 H LYS A 498 1.637 5.794 7.096 1.00 0.00 H new ATOM 0 HA LYS A 498 4.204 5.778 8.221 1.00 0.00 H new ATOM 0 HB2 LYS A 498 3.291 7.611 9.642 1.00 0.00 H new ATOM 0 HB3 LYS A 498 2.952 7.824 7.935 1.00 0.00 H new ATOM 0 HG2 LYS A 498 0.651 7.037 8.249 1.00 0.00 H new ATOM 0 HG3 LYS A 498 0.972 6.671 9.933 1.00 0.00 H new ATOM 0 HD2 LYS A 498 -0.126 8.789 9.936 1.00 0.00 H new ATOM 0 HD3 LYS A 498 1.562 9.132 10.259 1.00 0.00 H new ATOM 0 HE2 LYS A 498 1.952 9.928 8.049 1.00 0.00 H new ATOM 0 HE3 LYS A 498 0.492 9.185 7.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 -0.013 11.438 7.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 -0.737 10.746 9.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 0.732 11.584 9.149 1.00 0.00 H new ATOM 806 N ARG A 499 1.833 4.512 10.130 1.00 0.00 N ATOM 807 CA ARG A 499 1.595 3.709 11.324 1.00 0.00 C ATOM 808 C ARG A 499 2.240 2.334 11.190 1.00 0.00 C ATOM 809 O ARG A 499 2.811 1.808 12.146 1.00 0.00 O ATOM 810 CB ARG A 499 0.093 3.563 11.577 1.00 0.00 C ATOM 811 CG ARG A 499 -0.442 4.520 12.631 1.00 0.00 C ATOM 812 CD ARG A 499 -1.369 5.562 12.025 1.00 0.00 C ATOM 813 NE ARG A 499 -2.616 4.973 11.545 1.00 0.00 N ATOM 814 CZ ARG A 499 -3.714 5.677 11.276 1.00 0.00 C ATOM 815 NH1 ARG A 499 -3.721 6.994 11.437 1.00 0.00 N ATOM 816 NH2 ARG A 499 -4.806 5.062 10.845 1.00 0.00 N ATOM 0 H ARG A 499 0.998 4.703 9.576 1.00 0.00 H new ATOM 0 HA ARG A 499 2.048 4.221 12.173 1.00 0.00 H new ATOM 0 HB2 ARG A 499 -0.442 3.729 10.642 1.00 0.00 H new ATOM 0 HB3 ARG A 499 -0.117 2.539 11.887 1.00 0.00 H new ATOM 0 HG2 ARG A 499 -0.977 3.957 13.396 1.00 0.00 H new ATOM 0 HG3 ARG A 499 0.391 5.018 13.127 1.00 0.00 H new ATOM 0 HD2 ARG A 499 -1.592 6.326 12.770 1.00 0.00 H new ATOM 0 HD3 ARG A 499 -0.862 6.061 11.199 1.00 0.00 H new ATOM 0 HE ARG A 499 -2.648 3.963 11.408 1.00 0.00 H new ATOM 0 HH11 ARG A 499 -2.883 7.472 11.768 1.00 0.00 H new ATOM 0 HH12 ARG A 499 -4.565 7.529 11.230 1.00 0.00 H new ATOM 0 HH21 ARG A 499 -4.805 4.050 10.719 1.00 0.00 H new ATOM 0 HH22 ARG A 499 -5.647 5.601 10.639 1.00 0.00 H new ATOM 830 N LEU A 500 2.146 1.756 9.997 1.00 0.00 N ATOM 831 CA LEU A 500 2.722 0.442 9.736 1.00 0.00 C ATOM 832 C LEU A 500 4.239 0.475 9.878 1.00 0.00 C ATOM 833 O LEU A 500 4.851 -0.482 10.353 1.00 0.00 O ATOM 834 CB LEU A 500 2.339 -0.036 8.334 1.00 0.00 C ATOM 835 CG LEU A 500 2.853 -1.428 7.961 1.00 0.00 C ATOM 836 CD1 LEU A 500 2.137 -2.496 8.773 1.00 0.00 C ATOM 837 CD2 LEU A 500 2.675 -1.678 6.472 1.00 0.00 C ATOM 0 H LEU A 500 1.676 2.177 9.195 1.00 0.00 H new ATOM 0 HA LEU A 500 2.322 -0.255 10.472 1.00 0.00 H new ATOM 0 HB2 LEU A 500 1.252 -0.032 8.250 1.00 0.00 H new ATOM 0 HB3 LEU A 500 2.718 0.681 7.606 1.00 0.00 H new ATOM 0 HG LEU A 500 3.917 -1.478 8.193 1.00 0.00 H new ATOM 0 HD11 LEU A 500 2.515 -3.480 8.494 1.00 0.00 H new ATOM 0 HD12 LEU A 500 2.315 -2.326 9.835 1.00 0.00 H new ATOM 0 HD13 LEU A 500 1.067 -2.449 8.573 1.00 0.00 H new ATOM 0 HD21 LEU A 500 3.046 -2.672 6.223 1.00 0.00 H new ATOM 0 HD22 LEU A 500 1.618 -1.610 6.215 1.00 0.00 H new ATOM 0 HD23 LEU A 500 3.234 -0.931 5.908 1.00 0.00 H new ATOM 849 N ASN A 501 4.841 1.585 9.463 1.00 0.00 N ATOM 850 CA ASN A 501 6.288 1.748 9.542 1.00 0.00 C ATOM 851 C ASN A 501 7.005 0.654 8.751 1.00 0.00 C ATOM 852 O ASN A 501 7.872 -0.042 9.282 1.00 0.00 O ATOM 853 CB ASN A 501 6.744 1.725 11.002 1.00 0.00 C ATOM 854 CG ASN A 501 8.141 2.286 11.180 1.00 0.00 C ATOM 855 OD1 ASN A 501 8.224 3.548 11.585 1.00 0.00 O flip ATOM 856 ND2 ASN A 501 9.134 1.594 10.956 1.00 0.00 N flip ATOM 0 H ASN A 501 4.348 2.386 9.068 1.00 0.00 H new ATOM 0 HA ASN A 501 6.546 2.712 9.104 1.00 0.00 H new ATOM 0 HB2 ASN A 501 6.044 2.301 11.607 1.00 0.00 H new ATOM 0 HB3 ASN A 501 6.717 0.700 11.372 1.00 0.00 H new ATOM 0 HD21 ASN A 501 9.023 0.628 10.646 1.00 0.00 H new ATOM 0 HD22 ASN A 501 10.067 1.986 11.080 1.00 0.00 H new ATOM 863 N PRO A 502 6.651 0.488 7.465 1.00 0.00 N ATOM 864 CA PRO A 502 7.265 -0.526 6.602 1.00 0.00 C ATOM 865 C PRO A 502 8.688 -0.156 6.197 1.00 0.00 C ATOM 866 O PRO A 502 9.028 1.022 6.093 1.00 0.00 O ATOM 867 CB PRO A 502 6.349 -0.547 5.379 1.00 0.00 C ATOM 868 CG PRO A 502 5.766 0.822 5.323 1.00 0.00 C ATOM 869 CD PRO A 502 5.627 1.275 6.751 1.00 0.00 C ATOM 0 HA PRO A 502 7.354 -1.490 7.102 1.00 0.00 H new ATOM 0 HB2 PRO A 502 6.906 -0.778 4.471 1.00 0.00 H new ATOM 0 HB3 PRO A 502 5.572 -1.305 5.479 1.00 0.00 H new ATOM 0 HG2 PRO A 502 6.411 1.497 4.761 1.00 0.00 H new ATOM 0 HG3 PRO A 502 4.799 0.813 4.821 1.00 0.00 H new ATOM 0 HD2 PRO A 502 5.803 2.346 6.851 1.00 0.00 H new ATOM 0 HD3 PRO A 502 4.627 1.078 7.139 1.00 0.00 H new ATOM 877 N GLU A 503 9.516 -1.171 5.968 1.00 0.00 N ATOM 878 CA GLU A 503 10.902 -0.951 5.573 1.00 0.00 C ATOM 879 C GLU A 503 10.977 -0.174 4.262 1.00 0.00 C ATOM 880 O GLU A 503 10.122 -0.326 3.390 1.00 0.00 O ATOM 881 CB GLU A 503 11.632 -2.288 5.428 1.00 0.00 C ATOM 882 CG GLU A 503 11.698 -3.087 6.720 1.00 0.00 C ATOM 883 CD GLU A 503 12.302 -2.297 7.864 1.00 0.00 C ATOM 884 OE1 GLU A 503 13.393 -1.719 7.675 1.00 0.00 O ATOM 885 OE2 GLU A 503 11.685 -2.256 8.949 1.00 0.00 O ATOM 0 H GLU A 503 9.251 -2.153 6.049 1.00 0.00 H new ATOM 0 HA GLU A 503 11.386 -0.363 6.352 1.00 0.00 H new ATOM 0 HB2 GLU A 503 11.131 -2.885 4.666 1.00 0.00 H new ATOM 0 HB3 GLU A 503 12.646 -2.103 5.073 1.00 0.00 H new ATOM 0 HG2 GLU A 503 10.694 -3.408 6.996 1.00 0.00 H new ATOM 0 HG3 GLU A 503 12.287 -3.989 6.555 1.00 0.00 H new ATOM 892 N ARG A 504 12.004 0.659 4.131 1.00 0.00 N ATOM 893 CA ARG A 504 12.189 1.461 2.927 1.00 0.00 C ATOM 894 C ARG A 504 13.431 1.016 2.162 1.00 0.00 C ATOM 895 O ARG A 504 14.472 0.736 2.757 1.00 0.00 O ATOM 896 CB ARG A 504 12.302 2.943 3.288 1.00 0.00 C ATOM 897 CG ARG A 504 11.034 3.519 3.898 1.00 0.00 C ATOM 898 CD ARG A 504 11.153 5.019 4.117 1.00 0.00 C ATOM 899 NE ARG A 504 12.294 5.360 4.963 1.00 0.00 N ATOM 900 CZ ARG A 504 12.832 6.576 5.028 1.00 0.00 C ATOM 901 NH1 ARG A 504 12.337 7.568 4.299 1.00 0.00 N ATOM 902 NH2 ARG A 504 13.869 6.800 5.824 1.00 0.00 N ATOM 0 H ARG A 504 12.721 0.796 4.844 1.00 0.00 H new ATOM 0 HA ARG A 504 11.319 1.316 2.287 1.00 0.00 H new ATOM 0 HB2 ARG A 504 13.126 3.076 3.990 1.00 0.00 H new ATOM 0 HB3 ARG A 504 12.553 3.509 2.391 1.00 0.00 H new ATOM 0 HG2 ARG A 504 10.187 3.312 3.243 1.00 0.00 H new ATOM 0 HG3 ARG A 504 10.830 3.026 4.849 1.00 0.00 H new ATOM 0 HD2 ARG A 504 11.254 5.519 3.154 1.00 0.00 H new ATOM 0 HD3 ARG A 504 10.237 5.392 4.576 1.00 0.00 H new ATOM 0 HE ARG A 504 12.703 4.623 5.538 1.00 0.00 H new ATOM 0 HH11 ARG A 504 11.540 7.401 3.685 1.00 0.00 H new ATOM 0 HH12 ARG A 504 12.753 8.498 4.353 1.00 0.00 H new ATOM 0 HH21 ARG A 504 14.254 6.041 6.386 1.00 0.00 H new ATOM 0 HH22 ARG A 504 14.282 7.731 5.874 1.00 0.00 H new ATOM 916 N LYS A 505 13.313 0.953 0.840 1.00 0.00 N ATOM 917 CA LYS A 505 14.426 0.542 -0.009 1.00 0.00 C ATOM 918 C LYS A 505 14.216 1.011 -1.445 1.00 0.00 C ATOM 919 O LYS A 505 13.133 0.853 -2.008 1.00 0.00 O ATOM 920 CB LYS A 505 14.585 -0.979 0.026 1.00 0.00 C ATOM 921 CG LYS A 505 13.315 -1.732 -0.335 1.00 0.00 C ATOM 922 CD LYS A 505 13.296 -3.121 0.282 1.00 0.00 C ATOM 923 CE LYS A 505 14.440 -3.977 -0.237 1.00 0.00 C ATOM 924 NZ LYS A 505 15.734 -3.629 0.412 1.00 0.00 N ATOM 0 H LYS A 505 12.458 1.181 0.333 1.00 0.00 H new ATOM 0 HA LYS A 505 15.335 1.004 0.375 1.00 0.00 H new ATOM 0 HB2 LYS A 505 15.378 -1.269 -0.664 1.00 0.00 H new ATOM 0 HB3 LYS A 505 14.905 -1.280 1.024 1.00 0.00 H new ATOM 0 HG2 LYS A 505 12.447 -1.169 0.008 1.00 0.00 H new ATOM 0 HG3 LYS A 505 13.235 -1.813 -1.419 1.00 0.00 H new ATOM 0 HD2 LYS A 505 13.364 -3.039 1.367 1.00 0.00 H new ATOM 0 HD3 LYS A 505 12.346 -3.607 0.058 1.00 0.00 H new ATOM 0 HE2 LYS A 505 14.216 -5.029 -0.059 1.00 0.00 H new ATOM 0 HE3 LYS A 505 14.529 -3.848 -1.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 16.277 -4.498 0.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 16.279 -3.003 -0.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 15.551 -3.143 1.313 1.00 0.00 H new ATOM 938 N MET A 506 15.259 1.590 -2.031 1.00 0.00 N ATOM 939 CA MET A 506 15.187 2.083 -3.402 1.00 0.00 C ATOM 940 C MET A 506 15.586 0.995 -4.394 1.00 0.00 C ATOM 941 O MET A 506 16.724 0.526 -4.392 1.00 0.00 O ATOM 942 CB MET A 506 16.093 3.304 -3.575 1.00 0.00 C ATOM 943 CG MET A 506 15.661 4.504 -2.749 1.00 0.00 C ATOM 944 SD MET A 506 16.628 5.981 -3.112 1.00 0.00 S ATOM 945 CE MET A 506 18.276 5.421 -2.688 1.00 0.00 C ATOM 0 H MET A 506 16.163 1.729 -1.579 1.00 0.00 H new ATOM 0 HA MET A 506 14.156 2.372 -3.604 1.00 0.00 H new ATOM 0 HB2 MET A 506 17.112 3.032 -3.300 1.00 0.00 H new ATOM 0 HB3 MET A 506 16.112 3.586 -4.628 1.00 0.00 H new ATOM 0 HG2 MET A 506 14.607 4.709 -2.937 1.00 0.00 H new ATOM 0 HG3 MET A 506 15.755 4.264 -1.690 1.00 0.00 H new ATOM 0 HE1 MET A 506 18.937 6.281 -2.584 1.00 0.00 H new ATOM 0 HE2 MET A 506 18.243 4.873 -1.747 1.00 0.00 H new ATOM 0 HE3 MET A 506 18.652 4.768 -3.475 1.00 0.00 H new ATOM 955 N ILE A 507 14.641 0.600 -5.242 1.00 0.00 N ATOM 956 CA ILE A 507 14.893 -0.431 -6.242 1.00 0.00 C ATOM 957 C ILE A 507 14.606 0.087 -7.647 1.00 0.00 C ATOM 958 O ILE A 507 13.504 0.554 -7.934 1.00 0.00 O ATOM 959 CB ILE A 507 14.036 -1.685 -5.983 1.00 0.00 C ATOM 960 CG1 ILE A 507 14.189 -2.143 -4.531 1.00 0.00 C ATOM 961 CG2 ILE A 507 14.425 -2.802 -6.940 1.00 0.00 C ATOM 962 CD1 ILE A 507 13.282 -3.297 -4.163 1.00 0.00 C ATOM 0 H ILE A 507 13.694 0.979 -5.256 1.00 0.00 H new ATOM 0 HA ILE A 507 15.947 -0.699 -6.164 1.00 0.00 H new ATOM 0 HB ILE A 507 12.990 -1.433 -6.157 1.00 0.00 H new ATOM 0 HG12 ILE A 507 15.225 -2.436 -4.358 1.00 0.00 H new ATOM 0 HG13 ILE A 507 13.981 -1.302 -3.869 1.00 0.00 H new ATOM 0 HG21 ILE A 507 13.810 -3.680 -6.743 1.00 0.00 H new ATOM 0 HG22 ILE A 507 14.269 -2.472 -7.967 1.00 0.00 H new ATOM 0 HG23 ILE A 507 15.475 -3.055 -6.796 1.00 0.00 H new ATOM 0 HD11 ILE A 507 13.444 -3.569 -3.120 1.00 0.00 H new ATOM 0 HD12 ILE A 507 12.242 -3.002 -4.304 1.00 0.00 H new ATOM 0 HD13 ILE A 507 13.506 -4.153 -4.800 1.00 0.00 H new ATOM 974 N ASN A 508 15.605 0.002 -8.520 1.00 0.00 N ATOM 975 CA ASN A 508 15.460 0.463 -9.897 1.00 0.00 C ATOM 976 C ASN A 508 15.052 1.933 -9.939 1.00 0.00 C ATOM 977 O ASN A 508 14.171 2.323 -10.705 1.00 0.00 O ATOM 978 CB ASN A 508 14.424 -0.388 -10.635 1.00 0.00 C ATOM 979 CG ASN A 508 14.528 -0.248 -12.141 1.00 0.00 C ATOM 980 OD1 ASN A 508 15.361 0.502 -12.650 1.00 0.00 O ATOM 981 ND2 ASN A 508 13.680 -0.972 -12.863 1.00 0.00 N ATOM 0 H ASN A 508 16.524 -0.382 -8.299 1.00 0.00 H new ATOM 0 HA ASN A 508 16.425 0.359 -10.393 1.00 0.00 H new ATOM 0 HB2 ASN A 508 14.555 -1.435 -10.360 1.00 0.00 H new ATOM 0 HB3 ASN A 508 13.424 -0.097 -10.314 1.00 0.00 H new ATOM 0 HD21 ASN A 508 13.703 -0.919 -13.881 1.00 0.00 H new ATOM 0 HD22 ASN A 508 13.006 -1.581 -12.399 1.00 0.00 H new ATOM 988 N ASP A 509 15.699 2.744 -9.108 1.00 0.00 N ATOM 989 CA ASP A 509 15.405 4.171 -9.048 1.00 0.00 C ATOM 990 C ASP A 509 13.954 4.409 -8.642 1.00 0.00 C ATOM 991 O ASP A 509 13.324 5.369 -9.085 1.00 0.00 O ATOM 992 CB ASP A 509 15.682 4.829 -10.401 1.00 0.00 C ATOM 993 CG ASP A 509 17.151 4.783 -10.777 1.00 0.00 C ATOM 994 OD1 ASP A 509 17.986 4.545 -9.879 1.00 0.00 O ATOM 995 OD2 ASP A 509 17.465 4.985 -11.968 1.00 0.00 O ATOM 0 H ASP A 509 16.430 2.437 -8.467 1.00 0.00 H new ATOM 0 HA ASP A 509 16.054 4.619 -8.295 1.00 0.00 H new ATOM 0 HB2 ASP A 509 15.097 4.328 -11.172 1.00 0.00 H new ATOM 0 HB3 ASP A 509 15.350 5.867 -10.372 1.00 0.00 H new ATOM 1000 N LYS A 510 13.431 3.529 -7.795 1.00 0.00 N ATOM 1001 CA LYS A 510 12.054 3.641 -7.326 1.00 0.00 C ATOM 1002 C LYS A 510 11.954 3.292 -5.845 1.00 0.00 C ATOM 1003 O LYS A 510 12.746 2.504 -5.329 1.00 0.00 O ATOM 1004 CB LYS A 510 11.138 2.726 -8.141 1.00 0.00 C ATOM 1005 CG LYS A 510 11.148 3.025 -9.631 1.00 0.00 C ATOM 1006 CD LYS A 510 10.525 4.379 -9.932 1.00 0.00 C ATOM 1007 CE LYS A 510 10.442 4.633 -11.428 1.00 0.00 C ATOM 1008 NZ LYS A 510 9.829 5.955 -11.733 1.00 0.00 N ATOM 0 H LYS A 510 13.940 2.729 -7.419 1.00 0.00 H new ATOM 0 HA LYS A 510 11.734 4.674 -7.460 1.00 0.00 H new ATOM 0 HB2 LYS A 510 11.441 1.691 -7.985 1.00 0.00 H new ATOM 0 HB3 LYS A 510 10.119 2.820 -7.767 1.00 0.00 H new ATOM 0 HG2 LYS A 510 12.173 3.005 -10.000 1.00 0.00 H new ATOM 0 HG3 LYS A 510 10.602 2.246 -10.163 1.00 0.00 H new ATOM 0 HD2 LYS A 510 9.526 4.426 -9.498 1.00 0.00 H new ATOM 0 HD3 LYS A 510 11.115 5.165 -9.460 1.00 0.00 H new ATOM 0 HE2 LYS A 510 11.442 4.588 -11.860 1.00 0.00 H new ATOM 0 HE3 LYS A 510 9.856 3.844 -11.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 9.790 6.090 -12.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 8.866 5.989 -11.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 10.402 6.710 -11.306 1.00 0.00 H new ATOM 1022 N MET A 511 10.975 3.882 -5.167 1.00 0.00 N ATOM 1023 CA MET A 511 10.772 3.631 -3.745 1.00 0.00 C ATOM 1024 C MET A 511 9.843 2.440 -3.530 1.00 0.00 C ATOM 1025 O MET A 511 8.700 2.442 -3.988 1.00 0.00 O ATOM 1026 CB MET A 511 10.195 4.873 -3.064 1.00 0.00 C ATOM 1027 CG MET A 511 11.142 6.062 -3.064 1.00 0.00 C ATOM 1028 SD MET A 511 10.489 7.470 -2.147 1.00 0.00 S ATOM 1029 CE MET A 511 11.763 8.692 -2.450 1.00 0.00 C ATOM 0 H MET A 511 10.310 4.537 -5.579 1.00 0.00 H new ATOM 0 HA MET A 511 11.740 3.398 -3.301 1.00 0.00 H new ATOM 0 HB2 MET A 511 9.270 5.156 -3.566 1.00 0.00 H new ATOM 0 HB3 MET A 511 9.936 4.625 -2.035 1.00 0.00 H new ATOM 0 HG2 MET A 511 12.096 5.762 -2.630 1.00 0.00 H new ATOM 0 HG3 MET A 511 11.340 6.364 -4.093 1.00 0.00 H new ATOM 0 HE1 MET A 511 11.502 9.622 -1.946 1.00 0.00 H new ATOM 0 HE2 MET A 511 12.716 8.327 -2.067 1.00 0.00 H new ATOM 0 HE3 MET A 511 11.847 8.871 -3.522 1.00 0.00 H new ATOM 1039 N HIS A 512 10.341 1.426 -2.831 1.00 0.00 N ATOM 1040 CA HIS A 512 9.555 0.228 -2.555 1.00 0.00 C ATOM 1041 C HIS A 512 9.574 -0.107 -1.067 1.00 0.00 C ATOM 1042 O HIS A 512 10.593 0.058 -0.397 1.00 0.00 O ATOM 1043 CB HIS A 512 10.089 -0.956 -3.363 1.00 0.00 C ATOM 1044 CG HIS A 512 9.772 -0.877 -4.824 1.00 0.00 C ATOM 1045 ND1 HIS A 512 10.636 -0.338 -5.754 1.00 0.00 N ATOM 1046 CD2 HIS A 512 8.678 -1.274 -5.516 1.00 0.00 C ATOM 1047 CE1 HIS A 512 10.087 -0.406 -6.954 1.00 0.00 C ATOM 1048 NE2 HIS A 512 8.900 -0.970 -6.836 1.00 0.00 N ATOM 0 H HIS A 512 11.285 1.409 -2.445 1.00 0.00 H new ATOM 0 HA HIS A 512 8.525 0.426 -2.850 1.00 0.00 H new ATOM 0 HB2 HIS A 512 11.170 -1.013 -3.237 1.00 0.00 H new ATOM 0 HB3 HIS A 512 9.672 -1.878 -2.959 1.00 0.00 H new ATOM 0 HD2 HIS A 512 7.795 -1.742 -5.106 1.00 0.00 H new ATOM 0 HE1 HIS A 512 10.534 -0.059 -7.874 1.00 0.00 H new ATOM 0 HE2 HIS A 512 8.252 -1.151 -7.602 1.00 0.00 H new ATOM 1057 N PHE A 513 8.441 -0.579 -0.558 1.00 0.00 N ATOM 1058 CA PHE A 513 8.327 -0.940 0.850 1.00 0.00 C ATOM 1059 C PHE A 513 8.203 -2.452 1.014 1.00 0.00 C ATOM 1060 O PHE A 513 7.390 -3.093 0.349 1.00 0.00 O ATOM 1061 CB PHE A 513 7.117 -0.247 1.479 1.00 0.00 C ATOM 1062 CG PHE A 513 7.192 1.253 1.432 1.00 0.00 C ATOM 1063 CD1 PHE A 513 6.687 1.952 0.348 1.00 0.00 C ATOM 1064 CD2 PHE A 513 7.768 1.963 2.474 1.00 0.00 C ATOM 1065 CE1 PHE A 513 6.754 3.331 0.303 1.00 0.00 C ATOM 1066 CE2 PHE A 513 7.838 3.343 2.434 1.00 0.00 C ATOM 1067 CZ PHE A 513 7.331 4.028 1.347 1.00 0.00 C ATOM 0 H PHE A 513 7.588 -0.720 -1.100 1.00 0.00 H new ATOM 0 HA PHE A 513 9.232 -0.609 1.359 1.00 0.00 H new ATOM 0 HB2 PHE A 513 6.213 -0.574 0.964 1.00 0.00 H new ATOM 0 HB3 PHE A 513 7.025 -0.566 2.517 1.00 0.00 H new ATOM 0 HD1 PHE A 513 6.236 1.413 -0.472 1.00 0.00 H new ATOM 0 HD2 PHE A 513 8.166 1.432 3.326 1.00 0.00 H new ATOM 0 HE1 PHE A 513 6.356 3.864 -0.548 1.00 0.00 H new ATOM 0 HE2 PHE A 513 8.289 3.885 3.252 1.00 0.00 H new ATOM 0 HZ PHE A 513 7.386 5.106 1.313 1.00 0.00 H new ATOM 1077 N SER A 514 9.015 -3.015 1.903 1.00 0.00 N ATOM 1078 CA SER A 514 8.996 -4.452 2.153 1.00 0.00 C ATOM 1079 C SER A 514 8.744 -4.746 3.628 1.00 0.00 C ATOM 1080 O SER A 514 9.191 -4.007 4.504 1.00 0.00 O ATOM 1081 CB SER A 514 10.318 -5.085 1.714 1.00 0.00 C ATOM 1082 OG SER A 514 10.543 -4.888 0.329 1.00 0.00 O ATOM 0 H SER A 514 9.694 -2.498 2.462 1.00 0.00 H new ATOM 0 HA SER A 514 8.182 -4.885 1.571 1.00 0.00 H new ATOM 0 HB2 SER A 514 11.139 -4.651 2.284 1.00 0.00 H new ATOM 0 HB3 SER A 514 10.305 -6.152 1.935 1.00 0.00 H new ATOM 0 HG SER A 514 9.828 -4.331 -0.043 1.00 0.00 H new ATOM 1088 N LEU A 515 8.024 -5.831 3.895 1.00 0.00 N ATOM 1089 CA LEU A 515 7.713 -6.224 5.264 1.00 0.00 C ATOM 1090 C LEU A 515 7.969 -7.713 5.475 1.00 0.00 C ATOM 1091 O LEU A 515 7.583 -8.543 4.653 1.00 0.00 O ATOM 1092 CB LEU A 515 6.256 -5.895 5.593 1.00 0.00 C ATOM 1093 CG LEU A 515 6.007 -4.459 6.059 1.00 0.00 C ATOM 1094 CD1 LEU A 515 4.559 -4.062 5.814 1.00 0.00 C ATOM 1095 CD2 LEU A 515 6.361 -4.310 7.532 1.00 0.00 C ATOM 0 H LEU A 515 7.645 -6.453 3.181 1.00 0.00 H new ATOM 0 HA LEU A 515 8.366 -5.663 5.933 1.00 0.00 H new ATOM 0 HB2 LEU A 515 5.648 -6.085 4.709 1.00 0.00 H new ATOM 0 HB3 LEU A 515 5.911 -6.578 6.369 1.00 0.00 H new ATOM 0 HG LEU A 515 6.647 -3.792 5.481 1.00 0.00 H new ATOM 0 HD11 LEU A 515 4.400 -3.038 6.152 1.00 0.00 H new ATOM 0 HD12 LEU A 515 4.338 -4.131 4.749 1.00 0.00 H new ATOM 0 HD13 LEU A 515 3.900 -4.732 6.366 1.00 0.00 H new ATOM 0 HD21 LEU A 515 6.178 -3.283 7.848 1.00 0.00 H new ATOM 0 HD22 LEU A 515 5.745 -4.987 8.124 1.00 0.00 H new ATOM 0 HD23 LEU A 515 7.413 -4.553 7.680 1.00 0.00 H new ATOM 1107 N LYS A 516 8.622 -8.043 6.585 1.00 0.00 N ATOM 1108 CA LYS A 516 8.928 -9.432 6.907 1.00 0.00 C ATOM 1109 C LYS A 516 8.297 -9.833 8.236 1.00 0.00 C ATOM 1110 O LYS A 516 8.870 -9.606 9.301 1.00 0.00 O ATOM 1111 CB LYS A 516 10.443 -9.642 6.964 1.00 0.00 C ATOM 1112 CG LYS A 516 11.135 -9.444 5.626 1.00 0.00 C ATOM 1113 CD LYS A 516 12.616 -9.779 5.710 1.00 0.00 C ATOM 1114 CE LYS A 516 13.329 -9.486 4.400 1.00 0.00 C ATOM 1115 NZ LYS A 516 14.808 -9.576 4.540 1.00 0.00 N ATOM 0 H LYS A 516 8.949 -7.368 7.276 1.00 0.00 H new ATOM 0 HA LYS A 516 8.510 -10.062 6.122 1.00 0.00 H new ATOM 0 HB2 LYS A 516 10.870 -8.951 7.690 1.00 0.00 H new ATOM 0 HB3 LYS A 516 10.648 -10.650 7.324 1.00 0.00 H new ATOM 0 HG2 LYS A 516 10.661 -10.073 4.873 1.00 0.00 H new ATOM 0 HG3 LYS A 516 11.012 -8.411 5.301 1.00 0.00 H new ATOM 0 HD2 LYS A 516 13.076 -9.202 6.512 1.00 0.00 H new ATOM 0 HD3 LYS A 516 12.738 -10.832 5.964 1.00 0.00 H new ATOM 0 HE2 LYS A 516 12.993 -10.190 3.639 1.00 0.00 H new ATOM 0 HE3 LYS A 516 13.057 -8.489 4.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 15.257 -9.369 3.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 15.132 -8.887 5.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 15.070 -10.535 4.845 1.00 0.00 H new ATOM 1129 N GLU A 517 7.112 -10.431 8.165 1.00 0.00 N ATOM 1130 CA GLU A 517 6.402 -10.864 9.363 1.00 0.00 C ATOM 1131 C GLU A 517 7.215 -11.901 10.133 1.00 0.00 C ATOM 1132 O GLU A 517 7.145 -11.899 11.380 1.00 0.00 O ATOM 1133 CB GLU A 517 5.035 -11.443 8.992 1.00 0.00 C ATOM 1134 CG GLU A 517 5.117 -12.715 8.163 1.00 0.00 C ATOM 1135 CD GLU A 517 3.750 -13.273 7.817 1.00 0.00 C ATOM 1136 OE1 GLU A 517 2.884 -12.489 7.374 1.00 0.00 O ATOM 1137 OE2 GLU A 517 3.546 -14.493 7.987 1.00 0.00 O ATOM 1138 OXT GLU A 517 7.914 -12.706 9.482 1.00 0.00 O ATOM 0 H GLU A 517 6.624 -10.627 7.291 1.00 0.00 H new ATOM 0 HA GLU A 517 6.258 -9.994 10.003 1.00 0.00 H new ATOM 0 HB2 GLU A 517 4.477 -11.650 9.905 1.00 0.00 H new ATOM 0 HB3 GLU A 517 4.471 -10.693 8.437 1.00 0.00 H new ATOM 0 HG2 GLU A 517 5.666 -12.511 7.244 1.00 0.00 H new ATOM 0 HG3 GLU A 517 5.684 -13.467 8.712 1.00 0.00 H new