USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=20 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 508 ASN : amide:sc= 0.296 K(o=1.1,f=-13!) USER MOD Set 1.2: A 510 LYS NZ :NH3+ 174:sc= 0.833 (180deg=-0.731) USER MOD Set 2.1: A 485 SER OG : rot 150:sc= -0.603 USER MOD Set 2.2: A 488 GLN : amide:sc= -0.663 X(o=-1.3,f=-1.5) USER MOD Set 3.1: A 476 LYS NZ :NH3+ 164:sc= -0.38 (180deg=-1.02) USER MOD Set 3.2: A 480 LYS NZ :NH3+ 180:sc= 0 (180deg=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 -38:sc= 1.22 USER MOD Single : A 466 LYS NZ :NH3+ -155:sc= -0.1 (180deg=-0.517) USER MOD Single : A 468 MET CE :methyl 162:sc= 0 (180deg=-0.0509) USER MOD Single : A 469 THR OG1 : rot 180:sc= -1.19 USER MOD Single : A 470 THR OG1 : rot 180:sc= -0.0049 USER MOD Single : A 471 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 475 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0403) USER MOD Single : A 478 GLN :FLIP amide:sc= -0.0312 F(o=-0.96,f=-0.031) USER MOD Single : A 479 THR OG1 : rot 180:sc= 0 USER MOD Single : A 481 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 482 THR OG1 : rot 153:sc= -0.878 USER MOD Single : A 486 SER OG : rot 180:sc= 0 USER MOD Single : A 489 THR OG1 : rot 87:sc= 1.25 USER MOD Single : A 491 ASN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 495 GLN : amide:sc= -0.0959 X(o=-0.096,f=-0.12) USER MOD Single : A 498 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 501 ASN : amide:sc= -0.0746 X(o=-0.075,f=0) USER MOD Single : A 505 LYS NZ :NH3+ -171:sc= -0.0119 (180deg=-0.141) USER MOD Single : A 506 MET CE :methyl 163:sc= -0.0198 (180deg=-0.302) USER MOD Single : A 511 MET CE :methyl -171:sc= 0 (180deg=-0.0772) USER MOD Single : A 512 HIS : no HD1:sc= -5.37! C(o=-5.4!,f=-5.5!) USER MOD Single : A 514 SER OG : rot 170:sc= -0.468 USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 45 N VAL A 454 -9.955 0.120 2.603 1.00 0.00 N ATOM 46 CA VAL A 454 -8.533 -0.153 2.779 1.00 0.00 C ATOM 47 C VAL A 454 -8.215 -0.492 4.232 1.00 0.00 C ATOM 48 O VAL A 454 -8.645 0.205 5.151 1.00 0.00 O ATOM 49 CB VAL A 454 -7.673 1.048 2.344 1.00 0.00 C ATOM 50 CG1 VAL A 454 -6.197 0.680 2.351 1.00 0.00 C ATOM 51 CG2 VAL A 454 -8.101 1.540 0.969 1.00 0.00 C ATOM 0 HA VAL A 454 -8.294 -1.009 2.148 1.00 0.00 H new ATOM 0 HB VAL A 454 -7.824 1.857 3.058 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -5.606 1.542 2.041 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -5.902 0.380 3.356 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -6.025 -0.146 1.661 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -7.483 2.389 0.678 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -7.981 0.737 0.242 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -9.146 1.847 1.002 1.00 0.00 H new ATOM 61 N THR A 455 -7.457 -1.566 4.431 1.00 0.00 N ATOM 62 CA THR A 455 -7.080 -1.998 5.772 1.00 0.00 C ATOM 63 C THR A 455 -5.565 -2.115 5.900 1.00 0.00 C ATOM 64 O THR A 455 -4.895 -2.631 5.006 1.00 0.00 O ATOM 65 CB THR A 455 -7.737 -3.339 6.101 1.00 0.00 C ATOM 66 OG1 THR A 455 -9.143 -3.261 5.946 1.00 0.00 O ATOM 67 CG2 THR A 455 -7.457 -3.812 7.511 1.00 0.00 C ATOM 0 H THR A 455 -7.092 -2.153 3.681 1.00 0.00 H new ATOM 0 HA THR A 455 -7.429 -1.247 6.481 1.00 0.00 H new ATOM 0 HB THR A 455 -7.302 -4.053 5.402 1.00 0.00 H new ATOM 0 HG1 THR A 455 -9.544 -4.129 6.159 1.00 0.00 H new ATOM 0 HG21 THR A 455 -7.952 -4.768 7.679 1.00 0.00 H new ATOM 0 HG22 THR A 455 -6.382 -3.931 7.648 1.00 0.00 H new ATOM 0 HG23 THR A 455 -7.835 -3.078 8.223 1.00 0.00 H new ATOM 75 N GLU A 456 -5.031 -1.633 7.018 1.00 0.00 N ATOM 76 CA GLU A 456 -3.594 -1.684 7.263 1.00 0.00 C ATOM 77 C GLU A 456 -3.104 -3.127 7.335 1.00 0.00 C ATOM 78 O GLU A 456 -2.025 -3.452 6.841 1.00 0.00 O ATOM 79 CB GLU A 456 -3.252 -0.953 8.562 1.00 0.00 C ATOM 80 CG GLU A 456 -1.759 -0.869 8.837 1.00 0.00 C ATOM 81 CD GLU A 456 -1.449 -0.248 10.185 1.00 0.00 C ATOM 82 OE1 GLU A 456 -1.761 0.946 10.375 1.00 0.00 O ATOM 83 OE2 GLU A 456 -0.894 -0.957 11.051 1.00 0.00 O ATOM 0 H GLU A 456 -5.572 -1.203 7.768 1.00 0.00 H new ATOM 0 HA GLU A 456 -3.091 -1.190 6.431 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -3.663 0.056 8.521 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -3.738 -1.461 9.394 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -1.328 -1.869 8.794 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -1.281 -0.283 8.052 1.00 0.00 H new ATOM 90 N ASP A 457 -3.905 -3.989 7.954 1.00 0.00 N ATOM 91 CA ASP A 457 -3.552 -5.397 8.091 1.00 0.00 C ATOM 92 C ASP A 457 -3.644 -6.115 6.749 1.00 0.00 C ATOM 93 O ASP A 457 -2.810 -6.963 6.429 1.00 0.00 O ATOM 94 CB ASP A 457 -4.469 -6.077 9.110 1.00 0.00 C ATOM 95 CG ASP A 457 -4.285 -5.528 10.511 1.00 0.00 C ATOM 96 OD1 ASP A 457 -3.253 -4.869 10.761 1.00 0.00 O ATOM 97 OD2 ASP A 457 -5.172 -5.758 11.360 1.00 0.00 O ATOM 0 H ASP A 457 -4.802 -3.737 8.368 1.00 0.00 H new ATOM 0 HA ASP A 457 -2.522 -5.455 8.443 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -5.507 -5.946 8.805 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -4.271 -7.149 9.114 1.00 0.00 H new ATOM 102 N ALA A 458 -4.663 -5.772 5.968 1.00 0.00 N ATOM 103 CA ALA A 458 -4.865 -6.385 4.661 1.00 0.00 C ATOM 104 C ALA A 458 -3.763 -5.983 3.686 1.00 0.00 C ATOM 105 O ALA A 458 -3.218 -6.823 2.971 1.00 0.00 O ATOM 106 CB ALA A 458 -6.229 -6.003 4.105 1.00 0.00 C ATOM 0 H ALA A 458 -5.362 -5.072 6.218 1.00 0.00 H new ATOM 0 HA ALA A 458 -4.824 -7.467 4.786 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -6.367 -6.467 3.129 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -7.008 -6.348 4.784 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -6.290 -4.919 4.003 1.00 0.00 H new ATOM 112 N VAL A 459 -3.442 -4.694 3.661 1.00 0.00 N ATOM 113 CA VAL A 459 -2.407 -4.182 2.772 1.00 0.00 C ATOM 114 C VAL A 459 -1.050 -4.804 3.091 1.00 0.00 C ATOM 115 O VAL A 459 -0.238 -5.037 2.195 1.00 0.00 O ATOM 116 CB VAL A 459 -2.297 -2.646 2.862 1.00 0.00 C ATOM 117 CG1 VAL A 459 -1.873 -2.215 4.257 1.00 0.00 C ATOM 118 CG2 VAL A 459 -1.329 -2.117 1.814 1.00 0.00 C ATOM 0 H VAL A 459 -3.884 -3.985 4.246 1.00 0.00 H new ATOM 0 HA VAL A 459 -2.696 -4.456 1.757 1.00 0.00 H new ATOM 0 HB VAL A 459 -3.281 -2.221 2.663 1.00 0.00 H new ATOM 0 HG11 VAL A 459 -1.802 -1.128 4.296 1.00 0.00 H new ATOM 0 HG12 VAL A 459 -2.610 -2.557 4.983 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -0.902 -2.651 4.493 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -1.265 -1.032 1.893 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -0.343 -2.552 1.977 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -1.685 -2.388 0.820 1.00 0.00 H new ATOM 128 N ARG A 460 -0.811 -5.069 4.371 1.00 0.00 N ATOM 129 CA ARG A 460 0.447 -5.664 4.807 1.00 0.00 C ATOM 130 C ARG A 460 0.670 -7.019 4.142 1.00 0.00 C ATOM 131 O ARG A 460 1.786 -7.348 3.740 1.00 0.00 O ATOM 132 CB ARG A 460 0.460 -5.822 6.329 1.00 0.00 C ATOM 133 CG ARG A 460 1.745 -6.430 6.867 1.00 0.00 C ATOM 134 CD ARG A 460 1.626 -6.767 8.345 1.00 0.00 C ATOM 135 NE ARG A 460 2.120 -5.687 9.195 1.00 0.00 N ATOM 136 CZ ARG A 460 1.831 -5.570 10.489 1.00 0.00 C ATOM 137 NH1 ARG A 460 1.051 -6.464 11.085 1.00 0.00 N ATOM 138 NH2 ARG A 460 2.324 -4.558 11.189 1.00 0.00 N ATOM 0 H ARG A 460 -1.472 -4.881 5.125 1.00 0.00 H new ATOM 0 HA ARG A 460 1.256 -4.997 4.510 1.00 0.00 H new ATOM 0 HB2 ARG A 460 0.310 -4.845 6.789 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -0.381 -6.447 6.628 1.00 0.00 H new ATOM 0 HG2 ARG A 460 1.985 -7.333 6.305 1.00 0.00 H new ATOM 0 HG3 ARG A 460 2.569 -5.733 6.717 1.00 0.00 H new ATOM 0 HD2 ARG A 460 0.583 -6.971 8.587 1.00 0.00 H new ATOM 0 HD3 ARG A 460 2.186 -7.678 8.555 1.00 0.00 H new ATOM 0 HE ARG A 460 2.722 -4.981 8.772 1.00 0.00 H new ATOM 0 HH11 ARG A 460 0.670 -7.245 10.551 1.00 0.00 H new ATOM 0 HH12 ARG A 460 0.833 -6.370 12.077 1.00 0.00 H new ATOM 0 HH21 ARG A 460 2.925 -3.869 10.736 1.00 0.00 H new ATOM 0 HH22 ARG A 460 2.103 -4.468 12.181 1.00 0.00 H new ATOM 152 N ARG A 461 -0.398 -7.801 4.032 1.00 0.00 N ATOM 153 CA ARG A 461 -0.319 -9.122 3.418 1.00 0.00 C ATOM 154 C ARG A 461 0.149 -9.025 1.969 1.00 0.00 C ATOM 155 O ARG A 461 0.915 -9.865 1.497 1.00 0.00 O ATOM 156 CB ARG A 461 -1.680 -9.817 3.480 1.00 0.00 C ATOM 157 CG ARG A 461 -2.156 -10.098 4.896 1.00 0.00 C ATOM 158 CD ARG A 461 -3.456 -10.885 4.901 1.00 0.00 C ATOM 159 NE ARG A 461 -4.026 -10.991 6.242 1.00 0.00 N ATOM 160 CZ ARG A 461 -3.575 -11.826 7.176 1.00 0.00 C ATOM 161 NH1 ARG A 461 -2.550 -12.629 6.919 1.00 0.00 N ATOM 162 NH2 ARG A 461 -4.151 -11.858 8.370 1.00 0.00 N ATOM 0 H ARG A 461 -1.329 -7.543 4.360 1.00 0.00 H new ATOM 0 HA ARG A 461 0.409 -9.710 3.976 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -2.419 -9.196 2.974 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -1.624 -10.757 2.931 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -1.390 -10.656 5.435 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -2.297 -9.157 5.427 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -4.175 -10.402 4.239 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -3.277 -11.884 4.503 1.00 0.00 H new ATOM 0 HE ARG A 461 -4.816 -10.390 6.477 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -2.103 -12.609 6.002 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -2.209 -13.267 7.638 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -4.939 -11.243 8.573 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -3.806 -12.498 9.086 1.00 0.00 H new ATOM 176 N TYR A 462 -0.316 -7.996 1.268 1.00 0.00 N ATOM 177 CA TYR A 462 0.056 -7.793 -0.127 1.00 0.00 C ATOM 178 C TYR A 462 1.544 -7.484 -0.257 1.00 0.00 C ATOM 179 O TYR A 462 2.216 -7.988 -1.157 1.00 0.00 O ATOM 180 CB TYR A 462 -0.769 -6.657 -0.736 1.00 0.00 C ATOM 181 CG TYR A 462 -2.251 -6.949 -0.796 1.00 0.00 C ATOM 182 CD1 TYR A 462 -2.717 -8.196 -1.192 1.00 0.00 C ATOM 183 CD2 TYR A 462 -3.184 -5.977 -0.456 1.00 0.00 C ATOM 184 CE1 TYR A 462 -4.071 -8.467 -1.248 1.00 0.00 C ATOM 185 CE2 TYR A 462 -4.540 -6.241 -0.509 1.00 0.00 C ATOM 186 CZ TYR A 462 -4.978 -7.486 -0.905 1.00 0.00 C ATOM 187 OH TYR A 462 -6.327 -7.752 -0.959 1.00 0.00 O ATOM 0 H TYR A 462 -0.950 -7.291 1.643 1.00 0.00 H new ATOM 0 HA TYR A 462 -0.152 -8.715 -0.669 1.00 0.00 H new ATOM 0 HB2 TYR A 462 -0.609 -5.750 -0.153 1.00 0.00 H new ATOM 0 HB3 TYR A 462 -0.406 -6.456 -1.744 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -2.010 -8.967 -1.461 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -2.844 -5.000 -0.145 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -4.417 -9.442 -1.559 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -5.253 -5.475 -0.241 1.00 0.00 H new ATOM 0 HH TYR A 462 -6.829 -6.956 -0.685 1.00 0.00 H new ATOM 197 N LEU A 463 2.053 -6.653 0.647 1.00 0.00 N ATOM 198 CA LEU A 463 3.462 -6.279 0.632 1.00 0.00 C ATOM 199 C LEU A 463 4.350 -7.487 0.913 1.00 0.00 C ATOM 200 O LEU A 463 5.422 -7.632 0.326 1.00 0.00 O ATOM 201 CB LEU A 463 3.732 -5.182 1.663 1.00 0.00 C ATOM 202 CG LEU A 463 3.268 -3.783 1.254 1.00 0.00 C ATOM 203 CD1 LEU A 463 2.955 -2.944 2.483 1.00 0.00 C ATOM 204 CD2 LEU A 463 4.324 -3.102 0.397 1.00 0.00 C ATOM 0 H LEU A 463 1.511 -6.226 1.398 1.00 0.00 H new ATOM 0 HA LEU A 463 3.700 -5.900 -0.362 1.00 0.00 H new ATOM 0 HB2 LEU A 463 3.240 -5.453 2.597 1.00 0.00 H new ATOM 0 HB3 LEU A 463 4.803 -5.149 1.864 1.00 0.00 H new ATOM 0 HG LEU A 463 2.356 -3.881 0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 463 2.627 -1.952 2.172 1.00 0.00 H new ATOM 0 HD12 LEU A 463 2.164 -3.424 3.060 1.00 0.00 H new ATOM 0 HD13 LEU A 463 3.850 -2.854 3.099 1.00 0.00 H new ATOM 0 HD21 LEU A 463 3.978 -2.108 0.115 1.00 0.00 H new ATOM 0 HD22 LEU A 463 5.252 -3.016 0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 463 4.500 -3.693 -0.501 1.00 0.00 H new ATOM 216 N THR A 464 3.895 -8.353 1.813 1.00 0.00 N ATOM 217 CA THR A 464 4.643 -9.546 2.172 1.00 0.00 C ATOM 218 C THR A 464 4.838 -10.453 0.961 1.00 0.00 C ATOM 219 O THR A 464 5.825 -11.184 0.873 1.00 0.00 O ATOM 220 CB THR A 464 3.914 -10.303 3.281 1.00 0.00 C ATOM 221 OG1 THR A 464 2.760 -10.949 2.773 1.00 0.00 O ATOM 222 CG2 THR A 464 3.477 -9.413 4.425 1.00 0.00 C ATOM 0 H THR A 464 3.009 -8.248 2.307 1.00 0.00 H new ATOM 0 HA THR A 464 5.626 -9.240 2.530 1.00 0.00 H new ATOM 0 HB THR A 464 4.636 -11.026 3.660 1.00 0.00 H new ATOM 0 HG1 THR A 464 2.329 -10.373 2.108 1.00 0.00 H new ATOM 0 HG21 THR A 464 2.966 -10.013 5.178 1.00 0.00 H new ATOM 0 HG22 THR A 464 4.351 -8.938 4.871 1.00 0.00 H new ATOM 0 HG23 THR A 464 2.799 -8.646 4.051 1.00 0.00 H new ATOM 230 N ARG A 465 3.891 -10.402 0.030 1.00 0.00 N ATOM 231 CA ARG A 465 3.961 -11.220 -1.176 1.00 0.00 C ATOM 232 C ARG A 465 5.074 -10.737 -2.097 1.00 0.00 C ATOM 233 O ARG A 465 6.051 -11.446 -2.336 1.00 0.00 O ATOM 234 CB ARG A 465 2.622 -11.191 -1.915 1.00 0.00 C ATOM 235 CG ARG A 465 2.550 -12.164 -3.081 1.00 0.00 C ATOM 236 CD ARG A 465 2.797 -11.465 -4.408 1.00 0.00 C ATOM 237 NE ARG A 465 1.634 -10.699 -4.849 1.00 0.00 N ATOM 238 CZ ARG A 465 0.554 -11.244 -5.403 1.00 0.00 C ATOM 239 NH1 ARG A 465 0.484 -12.557 -5.586 1.00 0.00 N ATOM 240 NH2 ARG A 465 -0.460 -10.475 -5.776 1.00 0.00 N ATOM 0 H ARG A 465 3.067 -9.804 0.087 1.00 0.00 H new ATOM 0 HA ARG A 465 4.181 -12.245 -0.878 1.00 0.00 H new ATOM 0 HB2 ARG A 465 1.823 -11.421 -1.211 1.00 0.00 H new ATOM 0 HB3 ARG A 465 2.441 -10.181 -2.283 1.00 0.00 H new ATOM 0 HG2 ARG A 465 3.288 -12.954 -2.942 1.00 0.00 H new ATOM 0 HG3 ARG A 465 1.570 -12.642 -3.097 1.00 0.00 H new ATOM 0 HD2 ARG A 465 3.655 -10.799 -4.313 1.00 0.00 H new ATOM 0 HD3 ARG A 465 3.052 -12.206 -5.166 1.00 0.00 H new ATOM 0 HE ARG A 465 1.651 -9.687 -4.725 1.00 0.00 H new ATOM 0 HH11 ARG A 465 1.261 -13.154 -5.301 1.00 0.00 H new ATOM 0 HH12 ARG A 465 -0.347 -12.969 -6.011 1.00 0.00 H new ATOM 0 HH21 ARG A 465 -0.412 -9.465 -5.638 1.00 0.00 H new ATOM 0 HH22 ARG A 465 -1.288 -10.893 -6.201 1.00 0.00 H new ATOM 254 N LYS A 466 4.916 -9.525 -2.610 1.00 0.00 N ATOM 255 CA LYS A 466 5.904 -8.938 -3.507 1.00 0.00 C ATOM 256 C LYS A 466 5.992 -7.425 -3.305 1.00 0.00 C ATOM 257 O LYS A 466 4.969 -6.745 -3.217 1.00 0.00 O ATOM 258 CB LYS A 466 5.549 -9.250 -4.962 1.00 0.00 C ATOM 259 CG LYS A 466 6.516 -8.648 -5.969 1.00 0.00 C ATOM 260 CD LYS A 466 6.211 -9.116 -7.383 1.00 0.00 C ATOM 261 CE LYS A 466 6.677 -8.104 -8.417 1.00 0.00 C ATOM 262 NZ LYS A 466 5.927 -6.822 -8.317 1.00 0.00 N ATOM 0 H LYS A 466 4.112 -8.927 -2.420 1.00 0.00 H new ATOM 0 HA LYS A 466 6.875 -9.375 -3.275 1.00 0.00 H new ATOM 0 HB2 LYS A 466 5.524 -10.331 -5.097 1.00 0.00 H new ATOM 0 HB3 LYS A 466 4.545 -8.880 -5.169 1.00 0.00 H new ATOM 0 HG2 LYS A 466 6.459 -7.560 -5.924 1.00 0.00 H new ATOM 0 HG3 LYS A 466 7.537 -8.925 -5.705 1.00 0.00 H new ATOM 0 HD2 LYS A 466 6.699 -10.074 -7.564 1.00 0.00 H new ATOM 0 HD3 LYS A 466 5.139 -9.280 -7.490 1.00 0.00 H new ATOM 0 HE2 LYS A 466 7.742 -7.913 -8.284 1.00 0.00 H new ATOM 0 HE3 LYS A 466 6.551 -8.521 -9.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 5.944 -6.337 -9.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 4.942 -7.016 -8.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 6.370 -6.216 -7.598 1.00 0.00 H new ATOM 276 N PRO A 467 7.218 -6.873 -3.230 1.00 0.00 N ATOM 277 CA PRO A 467 7.421 -5.432 -3.040 1.00 0.00 C ATOM 278 C PRO A 467 6.718 -4.605 -4.111 1.00 0.00 C ATOM 279 O PRO A 467 6.796 -4.915 -5.300 1.00 0.00 O ATOM 280 CB PRO A 467 8.939 -5.262 -3.149 1.00 0.00 C ATOM 281 CG PRO A 467 9.500 -6.603 -2.826 1.00 0.00 C ATOM 282 CD PRO A 467 8.496 -7.602 -3.326 1.00 0.00 C ATOM 0 HA PRO A 467 7.009 -5.087 -2.092 1.00 0.00 H new ATOM 0 HB2 PRO A 467 9.230 -4.943 -4.150 1.00 0.00 H new ATOM 0 HB3 PRO A 467 9.302 -4.504 -2.455 1.00 0.00 H new ATOM 0 HG2 PRO A 467 10.467 -6.748 -3.307 1.00 0.00 H new ATOM 0 HG3 PRO A 467 9.658 -6.712 -1.753 1.00 0.00 H new ATOM 0 HD2 PRO A 467 8.709 -7.908 -4.350 1.00 0.00 H new ATOM 0 HD3 PRO A 467 8.490 -8.506 -2.717 1.00 0.00 H new ATOM 290 N MET A 468 6.032 -3.550 -3.683 1.00 0.00 N ATOM 291 CA MET A 468 5.317 -2.678 -4.608 1.00 0.00 C ATOM 292 C MET A 468 5.459 -1.215 -4.198 1.00 0.00 C ATOM 293 O MET A 468 5.627 -0.904 -3.019 1.00 0.00 O ATOM 294 CB MET A 468 3.836 -3.061 -4.667 1.00 0.00 C ATOM 295 CG MET A 468 3.248 -3.442 -3.318 1.00 0.00 C ATOM 296 SD MET A 468 1.446 -3.391 -3.305 1.00 0.00 S ATOM 297 CE MET A 468 1.060 -4.729 -4.432 1.00 0.00 C ATOM 0 H MET A 468 5.956 -3.278 -2.703 1.00 0.00 H new ATOM 0 HA MET A 468 5.757 -2.805 -5.597 1.00 0.00 H new ATOM 0 HB2 MET A 468 3.270 -2.225 -5.077 1.00 0.00 H new ATOM 0 HB3 MET A 468 3.713 -3.897 -5.356 1.00 0.00 H new ATOM 0 HG2 MET A 468 3.581 -4.445 -3.051 1.00 0.00 H new ATOM 0 HG3 MET A 468 3.632 -2.765 -2.555 1.00 0.00 H new ATOM 0 HE1 MET A 468 0.023 -5.035 -4.292 1.00 0.00 H new ATOM 0 HE2 MET A 468 1.203 -4.392 -5.459 1.00 0.00 H new ATOM 0 HE3 MET A 468 1.718 -5.574 -4.232 1.00 0.00 H new ATOM 307 N THR A 469 5.389 -0.322 -5.180 1.00 0.00 N ATOM 308 CA THR A 469 5.509 1.108 -4.922 1.00 0.00 C ATOM 309 C THR A 469 4.215 1.665 -4.337 1.00 0.00 C ATOM 310 O THR A 469 3.172 1.013 -4.381 1.00 0.00 O ATOM 311 CB THR A 469 5.863 1.853 -6.210 1.00 0.00 C ATOM 312 OG1 THR A 469 4.771 1.841 -7.112 1.00 0.00 O ATOM 313 CG2 THR A 469 7.059 1.269 -6.930 1.00 0.00 C ATOM 0 H THR A 469 5.250 -0.563 -6.161 1.00 0.00 H new ATOM 0 HA THR A 469 6.308 1.255 -4.195 1.00 0.00 H new ATOM 0 HB THR A 469 6.107 2.869 -5.898 1.00 0.00 H new ATOM 0 HG1 THR A 469 5.016 2.324 -7.929 1.00 0.00 H new ATOM 0 HG21 THR A 469 7.256 1.844 -7.835 1.00 0.00 H new ATOM 0 HG22 THR A 469 7.931 1.309 -6.278 1.00 0.00 H new ATOM 0 HG23 THR A 469 6.853 0.233 -7.197 1.00 0.00 H new ATOM 321 N THR A 470 4.290 2.873 -3.788 1.00 0.00 N ATOM 322 CA THR A 470 3.124 3.517 -3.193 1.00 0.00 C ATOM 323 C THR A 470 2.000 3.666 -4.213 1.00 0.00 C ATOM 324 O THR A 470 0.843 3.357 -3.926 1.00 0.00 O ATOM 325 CB THR A 470 3.505 4.889 -2.635 1.00 0.00 C ATOM 326 OG1 THR A 470 4.096 5.693 -3.640 1.00 0.00 O ATOM 327 CG2 THR A 470 4.475 4.816 -1.475 1.00 0.00 C ATOM 0 H THR A 470 5.146 3.426 -3.743 1.00 0.00 H new ATOM 0 HA THR A 470 2.768 2.885 -2.380 1.00 0.00 H new ATOM 0 HB THR A 470 2.571 5.325 -2.279 1.00 0.00 H new ATOM 0 HG1 THR A 470 4.331 6.567 -3.264 1.00 0.00 H new ATOM 0 HG21 THR A 470 4.703 5.824 -1.127 1.00 0.00 H new ATOM 0 HG22 THR A 470 4.028 4.244 -0.662 1.00 0.00 H new ATOM 0 HG23 THR A 470 5.394 4.327 -1.799 1.00 0.00 H new ATOM 335 N LYS A 471 2.347 4.142 -5.404 1.00 0.00 N ATOM 336 CA LYS A 471 1.367 4.333 -6.467 1.00 0.00 C ATOM 337 C LYS A 471 0.704 3.012 -6.845 1.00 0.00 C ATOM 338 O LYS A 471 -0.480 2.974 -7.180 1.00 0.00 O ATOM 339 CB LYS A 471 2.034 4.952 -7.697 1.00 0.00 C ATOM 340 CG LYS A 471 1.057 5.292 -8.811 1.00 0.00 C ATOM 341 CD LYS A 471 1.776 5.837 -10.034 1.00 0.00 C ATOM 342 CE LYS A 471 0.793 6.309 -11.094 1.00 0.00 C ATOM 343 NZ LYS A 471 1.274 6.010 -12.471 1.00 0.00 N ATOM 0 H LYS A 471 3.300 4.403 -5.658 1.00 0.00 H new ATOM 0 HA LYS A 471 0.597 5.010 -6.098 1.00 0.00 H new ATOM 0 HB2 LYS A 471 2.561 5.858 -7.397 1.00 0.00 H new ATOM 0 HB3 LYS A 471 2.784 4.260 -8.081 1.00 0.00 H new ATOM 0 HG2 LYS A 471 0.493 4.401 -9.086 1.00 0.00 H new ATOM 0 HG3 LYS A 471 0.337 6.028 -8.453 1.00 0.00 H new ATOM 0 HD2 LYS A 471 2.421 6.665 -9.739 1.00 0.00 H new ATOM 0 HD3 LYS A 471 2.421 5.064 -10.453 1.00 0.00 H new ATOM 0 HE2 LYS A 471 -0.172 5.828 -10.934 1.00 0.00 H new ATOM 0 HE3 LYS A 471 0.635 7.382 -10.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 0.576 6.348 -13.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 2.182 6.490 -12.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 1.401 4.983 -12.579 1.00 0.00 H new ATOM 357 N ASP A 472 1.476 1.931 -6.793 1.00 0.00 N ATOM 358 CA ASP A 472 0.963 0.608 -7.133 1.00 0.00 C ATOM 359 C ASP A 472 -0.224 0.236 -6.251 1.00 0.00 C ATOM 360 O ASP A 472 -1.170 -0.409 -6.705 1.00 0.00 O ATOM 361 CB ASP A 472 2.067 -0.442 -6.991 1.00 0.00 C ATOM 362 CG ASP A 472 3.181 -0.251 -8.002 1.00 0.00 C ATOM 363 OD1 ASP A 472 2.965 0.477 -8.993 1.00 0.00 O ATOM 364 OD2 ASP A 472 4.269 -0.831 -7.802 1.00 0.00 O ATOM 0 H ASP A 472 2.458 1.945 -6.519 1.00 0.00 H new ATOM 0 HA ASP A 472 0.625 0.635 -8.169 1.00 0.00 H new ATOM 0 HB2 ASP A 472 2.482 -0.395 -5.984 1.00 0.00 H new ATOM 0 HB3 ASP A 472 1.637 -1.436 -7.112 1.00 0.00 H new ATOM 369 N LEU A 473 -0.169 0.647 -4.989 1.00 0.00 N ATOM 370 CA LEU A 473 -1.240 0.355 -4.044 1.00 0.00 C ATOM 371 C LEU A 473 -2.546 1.011 -4.480 1.00 0.00 C ATOM 372 O LEU A 473 -3.625 0.441 -4.313 1.00 0.00 O ATOM 373 CB LEU A 473 -0.858 0.835 -2.642 1.00 0.00 C ATOM 374 CG LEU A 473 0.252 0.029 -1.962 1.00 0.00 C ATOM 375 CD1 LEU A 473 1.600 0.708 -2.154 1.00 0.00 C ATOM 376 CD2 LEU A 473 -0.051 -0.153 -0.482 1.00 0.00 C ATOM 0 H LEU A 473 0.605 1.183 -4.597 1.00 0.00 H new ATOM 0 HA LEU A 473 -1.386 -0.725 -4.023 1.00 0.00 H new ATOM 0 HB2 LEU A 473 -0.544 1.877 -2.704 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -1.746 0.807 -2.010 1.00 0.00 H new ATOM 0 HG LEU A 473 0.296 -0.956 -2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 473 2.376 0.121 -1.664 1.00 0.00 H new ATOM 0 HD12 LEU A 473 1.821 0.784 -3.219 1.00 0.00 H new ATOM 0 HD13 LEU A 473 1.570 1.706 -1.717 1.00 0.00 H new ATOM 0 HD21 LEU A 473 0.749 -0.728 -0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 473 -0.123 0.823 -0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 473 -0.995 -0.685 -0.367 1.00 0.00 H new ATOM 388 N LEU A 474 -2.443 2.213 -5.038 1.00 0.00 N ATOM 389 CA LEU A 474 -3.618 2.945 -5.497 1.00 0.00 C ATOM 390 C LEU A 474 -4.364 2.161 -6.571 1.00 0.00 C ATOM 391 O LEU A 474 -5.592 2.074 -6.550 1.00 0.00 O ATOM 392 CB LEU A 474 -3.211 4.316 -6.041 1.00 0.00 C ATOM 393 CG LEU A 474 -2.875 5.363 -4.976 1.00 0.00 C ATOM 394 CD1 LEU A 474 -4.127 5.766 -4.212 1.00 0.00 C ATOM 395 CD2 LEU A 474 -1.814 4.832 -4.024 1.00 0.00 C ATOM 0 H LEU A 474 -1.559 2.700 -5.183 1.00 0.00 H new ATOM 0 HA LEU A 474 -4.284 3.082 -4.645 1.00 0.00 H new ATOM 0 HB2 LEU A 474 -2.345 4.190 -6.690 1.00 0.00 H new ATOM 0 HB3 LEU A 474 -4.021 4.699 -6.662 1.00 0.00 H new ATOM 0 HG LEU A 474 -2.478 6.247 -5.474 1.00 0.00 H new ATOM 0 HD11 LEU A 474 -3.870 6.511 -3.459 1.00 0.00 H new ATOM 0 HD12 LEU A 474 -4.856 6.187 -4.904 1.00 0.00 H new ATOM 0 HD13 LEU A 474 -4.554 4.889 -3.724 1.00 0.00 H new ATOM 0 HD21 LEU A 474 -1.587 5.589 -3.273 1.00 0.00 H new ATOM 0 HD22 LEU A 474 -2.184 3.933 -3.532 1.00 0.00 H new ATOM 0 HD23 LEU A 474 -0.910 4.593 -4.584 1.00 0.00 H new ATOM 407 N LYS A 475 -3.615 1.592 -7.510 1.00 0.00 N ATOM 408 CA LYS A 475 -4.206 0.815 -8.592 1.00 0.00 C ATOM 409 C LYS A 475 -4.925 -0.416 -8.050 1.00 0.00 C ATOM 410 O LYS A 475 -6.030 -0.744 -8.483 1.00 0.00 O ATOM 411 CB LYS A 475 -3.129 0.391 -9.592 1.00 0.00 C ATOM 412 CG LYS A 475 -3.684 -0.300 -10.827 1.00 0.00 C ATOM 413 CD LYS A 475 -2.586 -0.613 -11.831 1.00 0.00 C ATOM 414 CE LYS A 475 -1.660 -1.706 -11.322 1.00 0.00 C ATOM 415 NZ LYS A 475 -2.306 -3.047 -11.364 1.00 0.00 N ATOM 0 H LYS A 475 -2.597 1.655 -7.543 1.00 0.00 H new ATOM 0 HA LYS A 475 -4.936 1.445 -9.100 1.00 0.00 H new ATOM 0 HB2 LYS A 475 -2.565 1.271 -9.901 1.00 0.00 H new ATOM 0 HB3 LYS A 475 -2.427 -0.279 -9.095 1.00 0.00 H new ATOM 0 HG2 LYS A 475 -4.185 -1.223 -10.535 1.00 0.00 H new ATOM 0 HG3 LYS A 475 -4.435 0.336 -11.295 1.00 0.00 H new ATOM 0 HD2 LYS A 475 -3.033 -0.924 -12.775 1.00 0.00 H new ATOM 0 HD3 LYS A 475 -2.009 0.289 -12.033 1.00 0.00 H new ATOM 0 HE2 LYS A 475 -0.752 -1.722 -11.925 1.00 0.00 H new ATOM 0 HE3 LYS A 475 -1.360 -1.480 -10.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 -1.602 -3.779 -11.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 -3.077 -3.083 -10.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 -2.690 -3.218 -12.315 1.00 0.00 H new ATOM 429 N LYS A 476 -4.290 -1.095 -7.100 1.00 0.00 N ATOM 430 CA LYS A 476 -4.868 -2.291 -6.498 1.00 0.00 C ATOM 431 C LYS A 476 -6.185 -1.968 -5.799 1.00 0.00 C ATOM 432 O LYS A 476 -7.133 -2.752 -5.846 1.00 0.00 O ATOM 433 CB LYS A 476 -3.887 -2.912 -5.502 1.00 0.00 C ATOM 434 CG LYS A 476 -4.307 -4.287 -5.012 1.00 0.00 C ATOM 435 CD LYS A 476 -3.298 -4.861 -4.031 1.00 0.00 C ATOM 436 CE LYS A 476 -3.580 -6.325 -3.735 1.00 0.00 C ATOM 437 NZ LYS A 476 -3.857 -7.100 -4.976 1.00 0.00 N ATOM 0 H LYS A 476 -3.375 -0.837 -6.730 1.00 0.00 H new ATOM 0 HA LYS A 476 -5.068 -3.007 -7.295 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -2.905 -2.986 -5.970 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -3.782 -2.246 -4.645 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -5.284 -4.221 -4.534 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -4.413 -4.961 -5.862 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -2.293 -4.758 -4.440 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -3.325 -4.289 -3.103 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -2.726 -6.762 -3.218 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -4.434 -6.401 -3.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 -3.776 -8.117 -4.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -4.819 -6.888 -5.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -3.170 -6.836 -5.711 1.00 0.00 H new ATOM 451 N PHE A 477 -6.237 -0.808 -5.153 1.00 0.00 N ATOM 452 CA PHE A 477 -7.438 -0.381 -4.444 1.00 0.00 C ATOM 453 C PHE A 477 -8.197 0.673 -5.246 1.00 0.00 C ATOM 454 O PHE A 477 -8.326 1.821 -4.820 1.00 0.00 O ATOM 455 CB PHE A 477 -7.072 0.173 -3.066 1.00 0.00 C ATOM 456 CG PHE A 477 -6.582 -0.875 -2.108 1.00 0.00 C ATOM 457 CD1 PHE A 477 -7.479 -1.654 -1.394 1.00 0.00 C ATOM 458 CD2 PHE A 477 -5.225 -1.082 -1.922 1.00 0.00 C ATOM 459 CE1 PHE A 477 -7.031 -2.619 -0.512 1.00 0.00 C ATOM 460 CE2 PHE A 477 -4.771 -2.046 -1.041 1.00 0.00 C ATOM 461 CZ PHE A 477 -5.675 -2.815 -0.335 1.00 0.00 C ATOM 0 H PHE A 477 -5.462 -0.147 -5.106 1.00 0.00 H new ATOM 0 HA PHE A 477 -8.084 -1.250 -4.318 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -6.302 0.935 -3.183 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -7.945 0.665 -2.638 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -8.540 -1.505 -1.528 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -4.513 -0.483 -2.471 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -7.740 -3.219 0.038 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -3.710 -2.197 -0.905 1.00 0.00 H new ATOM 0 HZ PHE A 477 -5.323 -3.568 0.354 1.00 0.00 H new ATOM 471 N GLN A 478 -8.697 0.274 -6.411 1.00 0.00 N ATOM 472 CA GLN A 478 -9.443 1.183 -7.274 1.00 0.00 C ATOM 473 C GLN A 478 -10.122 0.422 -8.408 1.00 0.00 C ATOM 474 O GLN A 478 -11.278 0.683 -8.740 1.00 0.00 O ATOM 475 CB GLN A 478 -8.513 2.253 -7.847 1.00 0.00 C ATOM 476 CG GLN A 478 -9.248 3.411 -8.501 1.00 0.00 C ATOM 477 CD GLN A 478 -9.773 4.414 -7.492 1.00 0.00 C ATOM 478 OE1 GLN A 478 -8.885 4.917 -6.642 1.00 0.00 O flip ATOM 479 NE2 GLN A 478 -10.962 4.733 -7.477 1.00 0.00 N flip ATOM 0 H GLN A 478 -8.599 -0.672 -6.779 1.00 0.00 H new ATOM 0 HA GLN A 478 -10.213 1.665 -6.672 1.00 0.00 H new ATOM 0 HB2 GLN A 478 -7.882 2.640 -7.047 1.00 0.00 H new ATOM 0 HB3 GLN A 478 -7.852 1.792 -8.581 1.00 0.00 H new ATOM 0 HG2 GLN A 478 -8.577 3.917 -9.195 1.00 0.00 H new ATOM 0 HG3 GLN A 478 -10.080 3.023 -9.088 1.00 0.00 H new ATOM 0 HE21 GLN A 478 -11.609 4.321 -8.149 1.00 0.00 H new ATOM 0 HE22 GLN A 478 -11.300 5.409 -6.792 1.00 0.00 H new ATOM 488 N THR A 479 -9.394 -0.518 -9.001 1.00 0.00 N ATOM 489 CA THR A 479 -9.925 -1.317 -10.100 1.00 0.00 C ATOM 490 C THR A 479 -10.973 -2.307 -9.602 1.00 0.00 C ATOM 491 O THR A 479 -11.907 -2.653 -10.325 1.00 0.00 O ATOM 492 CB THR A 479 -8.794 -2.067 -10.805 1.00 0.00 C ATOM 493 OG1 THR A 479 -9.287 -2.782 -11.924 1.00 0.00 O ATOM 494 CG2 THR A 479 -8.080 -3.054 -9.908 1.00 0.00 C ATOM 0 H THR A 479 -8.435 -0.745 -8.739 1.00 0.00 H new ATOM 0 HA THR A 479 -10.402 -0.640 -10.808 1.00 0.00 H new ATOM 0 HB THR A 479 -8.084 -1.298 -11.109 1.00 0.00 H new ATOM 0 HG1 THR A 479 -8.548 -3.254 -12.362 1.00 0.00 H new ATOM 0 HG21 THR A 479 -7.290 -3.551 -10.471 1.00 0.00 H new ATOM 0 HG22 THR A 479 -7.644 -2.526 -9.060 1.00 0.00 H new ATOM 0 HG23 THR A 479 -8.791 -3.797 -9.546 1.00 0.00 H new ATOM 502 N LYS A 480 -10.811 -2.761 -8.363 1.00 0.00 N ATOM 503 CA LYS A 480 -11.744 -3.713 -7.772 1.00 0.00 C ATOM 504 C LYS A 480 -13.086 -3.050 -7.471 1.00 0.00 C ATOM 505 O LYS A 480 -14.043 -3.194 -8.231 1.00 0.00 O ATOM 506 CB LYS A 480 -11.154 -4.311 -6.492 1.00 0.00 C ATOM 507 CG LYS A 480 -9.963 -5.223 -6.739 1.00 0.00 C ATOM 508 CD LYS A 480 -9.483 -5.872 -5.452 1.00 0.00 C ATOM 509 CE LYS A 480 -8.225 -6.695 -5.679 1.00 0.00 C ATOM 510 NZ LYS A 480 -7.717 -7.294 -4.414 1.00 0.00 N ATOM 0 H LYS A 480 -10.044 -2.485 -7.750 1.00 0.00 H new ATOM 0 HA LYS A 480 -11.912 -4.513 -8.493 1.00 0.00 H new ATOM 0 HB2 LYS A 480 -10.849 -3.501 -5.829 1.00 0.00 H new ATOM 0 HB3 LYS A 480 -11.930 -4.873 -5.972 1.00 0.00 H new ATOM 0 HG2 LYS A 480 -10.238 -5.996 -7.457 1.00 0.00 H new ATOM 0 HG3 LYS A 480 -9.150 -4.649 -7.184 1.00 0.00 H new ATOM 0 HD2 LYS A 480 -9.286 -5.102 -4.706 1.00 0.00 H new ATOM 0 HD3 LYS A 480 -10.269 -6.511 -5.050 1.00 0.00 H new ATOM 0 HE2 LYS A 480 -8.435 -7.488 -6.397 1.00 0.00 H new ATOM 0 HE3 LYS A 480 -7.452 -6.063 -6.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 480 -6.859 -7.847 -4.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 480 -7.493 -6.537 -3.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 480 -8.444 -7.917 -4.008 1.00 0.00 H new ATOM 524 N LYS A 481 -13.149 -2.322 -6.359 1.00 0.00 N ATOM 525 CA LYS A 481 -14.374 -1.636 -5.960 1.00 0.00 C ATOM 526 C LYS A 481 -14.182 -0.909 -4.633 1.00 0.00 C ATOM 527 O LYS A 481 -14.538 -1.425 -3.574 1.00 0.00 O ATOM 528 CB LYS A 481 -15.532 -2.632 -5.847 1.00 0.00 C ATOM 529 CG LYS A 481 -16.847 -2.101 -6.394 1.00 0.00 C ATOM 530 CD LYS A 481 -17.301 -0.858 -5.645 1.00 0.00 C ATOM 531 CE LYS A 481 -18.704 -0.442 -6.056 1.00 0.00 C ATOM 532 NZ LYS A 481 -19.248 0.626 -5.172 1.00 0.00 N ATOM 0 H LYS A 481 -12.366 -2.192 -5.718 1.00 0.00 H new ATOM 0 HA LYS A 481 -14.613 -0.900 -6.727 1.00 0.00 H new ATOM 0 HB2 LYS A 481 -15.268 -3.545 -6.381 1.00 0.00 H new ATOM 0 HB3 LYS A 481 -15.667 -2.903 -4.800 1.00 0.00 H new ATOM 0 HG2 LYS A 481 -16.734 -1.868 -7.453 1.00 0.00 H new ATOM 0 HG3 LYS A 481 -17.612 -2.873 -6.317 1.00 0.00 H new ATOM 0 HD2 LYS A 481 -17.277 -1.049 -4.572 1.00 0.00 H new ATOM 0 HD3 LYS A 481 -16.606 -0.041 -5.839 1.00 0.00 H new ATOM 0 HE2 LYS A 481 -18.690 -0.088 -7.087 1.00 0.00 H new ATOM 0 HE3 LYS A 481 -19.363 -1.309 -6.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 -20.206 0.882 -5.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 -19.285 0.280 -4.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 -18.633 1.463 -5.220 1.00 0.00 H new ATOM 546 N THR A 482 -13.615 0.291 -4.698 1.00 0.00 N ATOM 547 CA THR A 482 -13.376 1.087 -3.499 1.00 0.00 C ATOM 548 C THR A 482 -14.377 2.232 -3.398 1.00 0.00 C ATOM 549 O THR A 482 -14.261 3.235 -4.103 1.00 0.00 O ATOM 550 CB THR A 482 -11.950 1.640 -3.503 1.00 0.00 C ATOM 551 OG1 THR A 482 -11.483 1.814 -4.829 1.00 0.00 O ATOM 552 CG2 THR A 482 -10.961 0.750 -2.781 1.00 0.00 C ATOM 0 H THR A 482 -13.313 0.733 -5.566 1.00 0.00 H new ATOM 0 HA THR A 482 -13.504 0.439 -2.632 1.00 0.00 H new ATOM 0 HB THR A 482 -12.008 2.593 -2.977 1.00 0.00 H new ATOM 0 HG1 THR A 482 -10.810 2.526 -4.848 1.00 0.00 H new ATOM 0 HG21 THR A 482 -9.969 1.200 -2.821 1.00 0.00 H new ATOM 0 HG22 THR A 482 -11.266 0.636 -1.741 1.00 0.00 H new ATOM 0 HG23 THR A 482 -10.935 -0.229 -3.260 1.00 0.00 H new ATOM 560 N GLY A 483 -15.359 2.078 -2.515 1.00 0.00 N ATOM 561 CA GLY A 483 -16.364 3.110 -2.334 1.00 0.00 C ATOM 562 C GLY A 483 -15.754 4.467 -2.037 1.00 0.00 C ATOM 563 O GLY A 483 -16.371 5.502 -2.287 1.00 0.00 O ATOM 0 H GLY A 483 -15.477 1.257 -1.922 1.00 0.00 H new ATOM 0 HA2 GLY A 483 -16.976 3.179 -3.233 1.00 0.00 H new ATOM 0 HA3 GLY A 483 -17.028 2.827 -1.518 1.00 0.00 H new ATOM 567 N LEU A 484 -14.537 4.459 -1.502 1.00 0.00 N ATOM 568 CA LEU A 484 -13.838 5.694 -1.170 1.00 0.00 C ATOM 569 C LEU A 484 -13.169 6.287 -2.406 1.00 0.00 C ATOM 570 O LEU A 484 -12.614 5.562 -3.232 1.00 0.00 O ATOM 571 CB LEU A 484 -12.792 5.432 -0.083 1.00 0.00 C ATOM 572 CG LEU A 484 -11.892 6.622 0.253 1.00 0.00 C ATOM 573 CD1 LEU A 484 -12.707 7.750 0.867 1.00 0.00 C ATOM 574 CD2 LEU A 484 -10.775 6.194 1.193 1.00 0.00 C ATOM 0 H LEU A 484 -14.014 3.609 -1.289 1.00 0.00 H new ATOM 0 HA LEU A 484 -14.569 6.411 -0.796 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -13.306 5.117 0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -12.164 4.599 -0.399 1.00 0.00 H new ATOM 0 HG LEU A 484 -11.443 6.988 -0.670 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -12.050 8.588 1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -13.471 8.073 0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -13.184 7.398 1.782 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -10.144 7.052 1.422 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -11.205 5.803 2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -10.175 5.419 0.716 1.00 0.00 H new ATOM 586 N SER A 485 -13.225 7.610 -2.527 1.00 0.00 N ATOM 587 CA SER A 485 -12.625 8.299 -3.663 1.00 0.00 C ATOM 588 C SER A 485 -11.115 8.084 -3.695 1.00 0.00 C ATOM 589 O SER A 485 -10.498 7.796 -2.670 1.00 0.00 O ATOM 590 CB SER A 485 -12.937 9.795 -3.602 1.00 0.00 C ATOM 591 OG SER A 485 -12.156 10.440 -2.610 1.00 0.00 O ATOM 0 H SER A 485 -13.680 8.225 -1.852 1.00 0.00 H new ATOM 0 HA SER A 485 -13.053 7.882 -4.575 1.00 0.00 H new ATOM 0 HB2 SER A 485 -12.744 10.250 -4.574 1.00 0.00 H new ATOM 0 HB3 SER A 485 -13.996 9.940 -3.387 1.00 0.00 H new ATOM 0 HG SER A 485 -11.990 11.368 -2.877 1.00 0.00 H new ATOM 597 N SER A 486 -10.527 8.227 -4.878 1.00 0.00 N ATOM 598 CA SER A 486 -9.089 8.048 -5.043 1.00 0.00 C ATOM 599 C SER A 486 -8.315 9.122 -4.285 1.00 0.00 C ATOM 600 O SER A 486 -7.235 8.863 -3.753 1.00 0.00 O ATOM 601 CB SER A 486 -8.717 8.086 -6.526 1.00 0.00 C ATOM 602 OG SER A 486 -8.908 9.381 -7.068 1.00 0.00 O ATOM 0 H SER A 486 -11.024 8.466 -5.736 1.00 0.00 H new ATOM 0 HA SER A 486 -8.820 7.075 -4.632 1.00 0.00 H new ATOM 0 HB2 SER A 486 -7.676 7.786 -6.651 1.00 0.00 H new ATOM 0 HB3 SER A 486 -9.324 7.366 -7.075 1.00 0.00 H new ATOM 0 HG SER A 486 -8.661 9.378 -8.016 1.00 0.00 H new ATOM 608 N GLU A 487 -8.873 10.327 -4.241 1.00 0.00 N ATOM 609 CA GLU A 487 -8.233 11.440 -3.549 1.00 0.00 C ATOM 610 C GLU A 487 -8.152 11.173 -2.049 1.00 0.00 C ATOM 611 O GLU A 487 -7.103 11.359 -1.431 1.00 0.00 O ATOM 612 CB GLU A 487 -9.001 12.738 -3.806 1.00 0.00 C ATOM 613 CG GLU A 487 -8.325 13.969 -3.225 1.00 0.00 C ATOM 614 CD GLU A 487 -9.149 15.230 -3.408 1.00 0.00 C ATOM 615 OE1 GLU A 487 -10.269 15.136 -3.952 1.00 0.00 O ATOM 616 OE2 GLU A 487 -8.673 16.313 -3.007 1.00 0.00 O ATOM 0 H GLU A 487 -9.766 10.558 -4.676 1.00 0.00 H new ATOM 0 HA GLU A 487 -7.220 11.542 -3.938 1.00 0.00 H new ATOM 0 HB2 GLU A 487 -9.121 12.873 -4.881 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -10.001 12.649 -3.382 1.00 0.00 H new ATOM 0 HG2 GLU A 487 -8.142 13.810 -2.162 1.00 0.00 H new ATOM 0 HG3 GLU A 487 -7.353 14.103 -3.700 1.00 0.00 H new ATOM 623 N GLN A 488 -9.265 10.735 -1.470 1.00 0.00 N ATOM 624 CA GLN A 488 -9.320 10.442 -0.043 1.00 0.00 C ATOM 625 C GLN A 488 -8.407 9.272 0.309 1.00 0.00 C ATOM 626 O GLN A 488 -7.802 9.244 1.380 1.00 0.00 O ATOM 627 CB GLN A 488 -10.757 10.128 0.379 1.00 0.00 C ATOM 628 CG GLN A 488 -11.697 11.317 0.266 1.00 0.00 C ATOM 629 CD GLN A 488 -13.109 10.988 0.710 1.00 0.00 C ATOM 630 OE1 GLN A 488 -13.913 10.475 -0.068 1.00 0.00 O ATOM 631 NE2 GLN A 488 -13.417 11.282 1.968 1.00 0.00 N ATOM 0 H GLN A 488 -10.141 10.575 -1.967 1.00 0.00 H new ATOM 0 HA GLN A 488 -8.974 11.323 0.497 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -11.138 9.314 -0.237 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -10.755 9.773 1.410 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -11.312 12.138 0.870 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -11.716 11.663 -0.767 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -12.719 11.707 2.578 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -14.352 11.083 2.324 1.00 0.00 H new ATOM 640 N THR A 489 -8.312 8.308 -0.601 1.00 0.00 N ATOM 641 CA THR A 489 -7.472 7.135 -0.387 1.00 0.00 C ATOM 642 C THR A 489 -6.016 7.539 -0.174 1.00 0.00 C ATOM 643 O THR A 489 -5.307 6.940 0.634 1.00 0.00 O ATOM 644 CB THR A 489 -7.579 6.180 -1.577 1.00 0.00 C ATOM 645 OG1 THR A 489 -8.929 5.823 -1.813 1.00 0.00 O ATOM 646 CG2 THR A 489 -6.792 4.901 -1.391 1.00 0.00 C ATOM 0 H THR A 489 -8.806 8.316 -1.493 1.00 0.00 H new ATOM 0 HA THR A 489 -7.824 6.627 0.511 1.00 0.00 H new ATOM 0 HB THR A 489 -7.160 6.725 -2.423 1.00 0.00 H new ATOM 0 HG1 THR A 489 -9.348 6.493 -2.393 1.00 0.00 H new ATOM 0 HG21 THR A 489 -6.911 4.269 -2.271 1.00 0.00 H new ATOM 0 HG22 THR A 489 -5.737 5.139 -1.256 1.00 0.00 H new ATOM 0 HG23 THR A 489 -7.160 4.372 -0.512 1.00 0.00 H new ATOM 654 N VAL A 490 -5.578 8.558 -0.906 1.00 0.00 N ATOM 655 CA VAL A 490 -4.207 9.042 -0.797 1.00 0.00 C ATOM 656 C VAL A 490 -3.901 9.506 0.624 1.00 0.00 C ATOM 657 O VAL A 490 -2.862 9.164 1.189 1.00 0.00 O ATOM 658 CB VAL A 490 -3.942 10.203 -1.773 1.00 0.00 C ATOM 659 CG1 VAL A 490 -2.473 10.596 -1.755 1.00 0.00 C ATOM 660 CG2 VAL A 490 -4.384 9.828 -3.180 1.00 0.00 C ATOM 0 H VAL A 490 -6.152 9.064 -1.580 1.00 0.00 H new ATOM 0 HA VAL A 490 -3.554 8.207 -1.053 1.00 0.00 H new ATOM 0 HB VAL A 490 -4.526 11.064 -1.449 1.00 0.00 H new ATOM 0 HG11 VAL A 490 -2.308 11.418 -2.452 1.00 0.00 H new ATOM 0 HG12 VAL A 490 -2.193 10.910 -0.750 1.00 0.00 H new ATOM 0 HG13 VAL A 490 -1.864 9.742 -2.051 1.00 0.00 H new ATOM 0 HG21 VAL A 490 -4.189 10.660 -3.856 1.00 0.00 H new ATOM 0 HG22 VAL A 490 -3.829 8.951 -3.514 1.00 0.00 H new ATOM 0 HG23 VAL A 490 -5.451 9.604 -3.179 1.00 0.00 H new ATOM 670 N ASN A 491 -4.812 10.286 1.195 1.00 0.00 N ATOM 671 CA ASN A 491 -4.639 10.797 2.550 1.00 0.00 C ATOM 672 C ASN A 491 -4.612 9.656 3.562 1.00 0.00 C ATOM 673 O ASN A 491 -3.779 9.636 4.468 1.00 0.00 O ATOM 674 CB ASN A 491 -5.763 11.775 2.896 1.00 0.00 C ATOM 675 CG ASN A 491 -5.734 13.019 2.030 1.00 0.00 C ATOM 676 OD1 ASN A 491 -4.717 13.335 1.411 1.00 0.00 O ATOM 677 ND2 ASN A 491 -6.852 13.734 1.983 1.00 0.00 N ATOM 0 H ASN A 491 -5.677 10.578 0.741 1.00 0.00 H new ATOM 0 HA ASN A 491 -3.684 11.321 2.595 1.00 0.00 H new ATOM 0 HB2 ASN A 491 -6.725 11.276 2.778 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -5.680 12.063 3.944 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -6.892 14.582 1.418 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -7.671 13.435 2.512 1.00 0.00 H new ATOM 684 N VAL A 492 -5.530 8.708 3.402 1.00 0.00 N ATOM 685 CA VAL A 492 -5.611 7.563 4.301 1.00 0.00 C ATOM 686 C VAL A 492 -4.414 6.636 4.117 1.00 0.00 C ATOM 687 O VAL A 492 -3.831 6.157 5.090 1.00 0.00 O ATOM 688 CB VAL A 492 -6.908 6.762 4.076 1.00 0.00 C ATOM 689 CG1 VAL A 492 -7.041 5.653 5.109 1.00 0.00 C ATOM 690 CG2 VAL A 492 -8.119 7.683 4.114 1.00 0.00 C ATOM 0 H VAL A 492 -6.228 8.710 2.658 1.00 0.00 H new ATOM 0 HA VAL A 492 -5.610 7.957 5.317 1.00 0.00 H new ATOM 0 HB VAL A 492 -6.860 6.302 3.089 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -7.963 5.100 4.932 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -6.191 4.976 5.028 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -7.065 6.088 6.108 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -9.025 7.099 3.953 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -8.172 8.175 5.085 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -8.028 8.436 3.331 1.00 0.00 H new ATOM 700 N LEU A 493 -4.054 6.387 2.863 1.00 0.00 N ATOM 701 CA LEU A 493 -2.926 5.517 2.549 1.00 0.00 C ATOM 702 C LEU A 493 -1.627 6.084 3.110 1.00 0.00 C ATOM 703 O LEU A 493 -0.750 5.339 3.546 1.00 0.00 O ATOM 704 CB LEU A 493 -2.806 5.331 1.035 1.00 0.00 C ATOM 705 CG LEU A 493 -1.806 4.263 0.590 1.00 0.00 C ATOM 706 CD1 LEU A 493 -2.245 3.635 -0.724 1.00 0.00 C ATOM 707 CD2 LEU A 493 -0.413 4.861 0.458 1.00 0.00 C ATOM 0 H LEU A 493 -4.527 6.775 2.047 1.00 0.00 H new ATOM 0 HA LEU A 493 -3.106 4.548 3.014 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -3.788 5.075 0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -2.519 6.283 0.589 1.00 0.00 H new ATOM 0 HG LEU A 493 -1.775 3.482 1.349 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -1.521 2.877 -1.025 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -3.224 3.172 -0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -2.305 4.405 -1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 493 0.286 4.088 0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -0.429 5.661 -0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -0.097 5.263 1.421 1.00 0.00 H new ATOM 719 N ALA A 494 -1.509 7.407 3.096 1.00 0.00 N ATOM 720 CA ALA A 494 -0.315 8.070 3.606 1.00 0.00 C ATOM 721 C ALA A 494 -0.248 7.980 5.126 1.00 0.00 C ATOM 722 O ALA A 494 0.833 7.878 5.705 1.00 0.00 O ATOM 723 CB ALA A 494 -0.287 9.523 3.158 1.00 0.00 C ATOM 0 H ALA A 494 -2.224 8.040 2.738 1.00 0.00 H new ATOM 0 HA ALA A 494 0.558 7.560 3.199 1.00 0.00 H new ATOM 0 HB1 ALA A 494 0.610 10.006 3.546 1.00 0.00 H new ATOM 0 HB2 ALA A 494 -0.281 9.568 2.069 1.00 0.00 H new ATOM 0 HB3 ALA A 494 -1.170 10.038 3.538 1.00 0.00 H new ATOM 729 N GLN A 495 -1.412 8.021 5.766 1.00 0.00 N ATOM 730 CA GLN A 495 -1.488 7.945 7.221 1.00 0.00 C ATOM 731 C GLN A 495 -1.411 6.499 7.701 1.00 0.00 C ATOM 732 O GLN A 495 -0.754 6.201 8.698 1.00 0.00 O ATOM 733 CB GLN A 495 -2.783 8.591 7.718 1.00 0.00 C ATOM 734 CG GLN A 495 -2.862 10.084 7.446 1.00 0.00 C ATOM 735 CD GLN A 495 -1.754 10.861 8.130 1.00 0.00 C ATOM 736 OE1 GLN A 495 -1.517 10.701 9.328 1.00 0.00 O ATOM 737 NE2 GLN A 495 -1.070 11.708 7.371 1.00 0.00 N ATOM 0 H GLN A 495 -2.316 8.106 5.300 1.00 0.00 H new ATOM 0 HA GLN A 495 -0.636 8.487 7.631 1.00 0.00 H new ATOM 0 HB2 GLN A 495 -3.631 8.098 7.242 1.00 0.00 H new ATOM 0 HB3 GLN A 495 -2.876 8.420 8.791 1.00 0.00 H new ATOM 0 HG2 GLN A 495 -2.812 10.257 6.371 1.00 0.00 H new ATOM 0 HG3 GLN A 495 -3.827 10.461 7.785 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -1.301 11.808 6.383 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -0.313 12.259 7.776 1.00 0.00 H new ATOM 746 N ILE A 496 -2.089 5.603 6.988 1.00 0.00 N ATOM 747 CA ILE A 496 -2.096 4.191 7.349 1.00 0.00 C ATOM 748 C ILE A 496 -0.686 3.610 7.306 1.00 0.00 C ATOM 749 O ILE A 496 -0.259 2.912 8.226 1.00 0.00 O ATOM 750 CB ILE A 496 -3.033 3.380 6.421 1.00 0.00 C ATOM 751 CG1 ILE A 496 -3.562 2.144 7.149 1.00 0.00 C ATOM 752 CG2 ILE A 496 -2.337 2.979 5.125 1.00 0.00 C ATOM 753 CD1 ILE A 496 -4.815 1.567 6.528 1.00 0.00 C ATOM 0 H ILE A 496 -2.639 5.830 6.159 1.00 0.00 H new ATOM 0 HA ILE A 496 -2.473 4.116 8.369 1.00 0.00 H new ATOM 0 HB ILE A 496 -3.873 4.023 6.156 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -2.786 1.379 7.160 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -3.767 2.404 8.187 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -3.028 2.412 4.501 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -2.018 3.874 4.591 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -1.467 2.364 5.355 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -5.133 0.693 7.096 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -5.606 2.317 6.542 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -4.609 1.275 5.498 1.00 0.00 H new ATOM 765 N LEU A 497 0.028 3.907 6.229 1.00 0.00 N ATOM 766 CA LEU A 497 1.392 3.421 6.055 1.00 0.00 C ATOM 767 C LEU A 497 2.311 3.980 7.135 1.00 0.00 C ATOM 768 O LEU A 497 3.251 3.314 7.571 1.00 0.00 O ATOM 769 CB LEU A 497 1.921 3.805 4.671 1.00 0.00 C ATOM 770 CG LEU A 497 1.250 3.088 3.499 1.00 0.00 C ATOM 771 CD1 LEU A 497 1.830 3.568 2.178 1.00 0.00 C ATOM 772 CD2 LEU A 497 1.408 1.581 3.636 1.00 0.00 C ATOM 0 H LEU A 497 -0.315 4.483 5.460 1.00 0.00 H new ATOM 0 HA LEU A 497 1.377 2.335 6.142 1.00 0.00 H new ATOM 0 HB2 LEU A 497 1.799 4.880 4.538 1.00 0.00 H new ATOM 0 HB3 LEU A 497 2.991 3.600 4.638 1.00 0.00 H new ATOM 0 HG LEU A 497 0.186 3.325 3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 497 1.341 3.047 1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 497 1.666 4.641 2.077 1.00 0.00 H new ATOM 0 HD13 LEU A 497 2.900 3.361 2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 497 0.925 1.086 2.794 1.00 0.00 H new ATOM 0 HD22 LEU A 497 2.468 1.326 3.647 1.00 0.00 H new ATOM 0 HD23 LEU A 497 0.945 1.250 4.566 1.00 0.00 H new ATOM 784 N LYS A 498 2.034 5.208 7.564 1.00 0.00 N ATOM 785 CA LYS A 498 2.837 5.857 8.595 1.00 0.00 C ATOM 786 C LYS A 498 2.846 5.033 9.878 1.00 0.00 C ATOM 787 O LYS A 498 3.903 4.768 10.450 1.00 0.00 O ATOM 788 CB LYS A 498 2.301 7.261 8.880 1.00 0.00 C ATOM 789 CG LYS A 498 3.157 8.053 9.855 1.00 0.00 C ATOM 790 CD LYS A 498 2.546 9.412 10.155 1.00 0.00 C ATOM 791 CE LYS A 498 3.469 10.260 11.014 1.00 0.00 C ATOM 792 NZ LYS A 498 3.156 11.711 10.902 1.00 0.00 N ATOM 0 H LYS A 498 1.260 5.773 7.214 1.00 0.00 H new ATOM 0 HA LYS A 498 3.860 5.934 8.228 1.00 0.00 H new ATOM 0 HB2 LYS A 498 2.230 7.811 7.942 1.00 0.00 H new ATOM 0 HB3 LYS A 498 1.290 7.181 9.279 1.00 0.00 H new ATOM 0 HG2 LYS A 498 3.270 7.491 10.782 1.00 0.00 H new ATOM 0 HG3 LYS A 498 4.156 8.186 9.439 1.00 0.00 H new ATOM 0 HD2 LYS A 498 2.337 9.932 9.220 1.00 0.00 H new ATOM 0 HD3 LYS A 498 1.592 9.279 10.666 1.00 0.00 H new ATOM 0 HE2 LYS A 498 3.382 9.950 12.055 1.00 0.00 H new ATOM 0 HE3 LYS A 498 4.503 10.088 10.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 3.808 12.254 11.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 3.263 12.014 9.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 2.178 11.880 11.212 1.00 0.00 H new ATOM 806 N ARG A 499 1.661 4.629 10.325 1.00 0.00 N ATOM 807 CA ARG A 499 1.534 3.833 11.540 1.00 0.00 C ATOM 808 C ARG A 499 2.139 2.447 11.347 1.00 0.00 C ATOM 809 O ARG A 499 2.747 1.891 12.261 1.00 0.00 O ATOM 810 CB ARG A 499 0.063 3.709 11.941 1.00 0.00 C ATOM 811 CG ARG A 499 -0.580 5.034 12.316 1.00 0.00 C ATOM 812 CD ARG A 499 -2.005 4.842 12.810 1.00 0.00 C ATOM 813 NE ARG A 499 -2.693 6.116 13.005 1.00 0.00 N ATOM 814 CZ ARG A 499 -3.200 6.843 12.012 1.00 0.00 C ATOM 815 NH1 ARG A 499 -3.098 6.428 10.756 1.00 0.00 N ATOM 816 NH2 ARG A 499 -3.811 7.990 12.277 1.00 0.00 N ATOM 0 H ARG A 499 0.776 4.840 9.864 1.00 0.00 H new ATOM 0 HA ARG A 499 2.079 4.340 12.336 1.00 0.00 H new ATOM 0 HB2 ARG A 499 -0.494 3.266 11.115 1.00 0.00 H new ATOM 0 HB3 ARG A 499 -0.018 3.024 12.785 1.00 0.00 H new ATOM 0 HG2 ARG A 499 0.012 5.521 13.091 1.00 0.00 H new ATOM 0 HG3 ARG A 499 -0.580 5.697 11.451 1.00 0.00 H new ATOM 0 HD2 ARG A 499 -2.559 4.237 12.092 1.00 0.00 H new ATOM 0 HD3 ARG A 499 -1.992 4.290 13.750 1.00 0.00 H new ATOM 0 HE ARG A 499 -2.790 6.469 13.957 1.00 0.00 H new ATOM 0 HH11 ARG A 499 -2.629 5.547 10.547 1.00 0.00 H new ATOM 0 HH12 ARG A 499 -3.489 6.990 10.000 1.00 0.00 H new ATOM 0 HH21 ARG A 499 -3.892 8.314 13.241 1.00 0.00 H new ATOM 0 HH22 ARG A 499 -4.200 8.548 11.517 1.00 0.00 H new ATOM 830 N LEU A 500 1.970 1.896 10.150 1.00 0.00 N ATOM 831 CA LEU A 500 2.499 0.574 9.834 1.00 0.00 C ATOM 832 C LEU A 500 4.020 0.557 9.942 1.00 0.00 C ATOM 833 O LEU A 500 4.612 -0.433 10.371 1.00 0.00 O ATOM 834 CB LEU A 500 2.070 0.153 8.427 1.00 0.00 C ATOM 835 CG LEU A 500 2.458 -1.272 8.030 1.00 0.00 C ATOM 836 CD1 LEU A 500 1.690 -2.285 8.865 1.00 0.00 C ATOM 837 CD2 LEU A 500 2.204 -1.498 6.547 1.00 0.00 C ATOM 0 H LEU A 500 1.471 2.345 9.382 1.00 0.00 H new ATOM 0 HA LEU A 500 2.094 -0.135 10.556 1.00 0.00 H new ATOM 0 HB2 LEU A 500 0.987 0.253 8.349 1.00 0.00 H new ATOM 0 HB3 LEU A 500 2.507 0.846 7.708 1.00 0.00 H new ATOM 0 HG LEU A 500 3.523 -1.407 8.221 1.00 0.00 H new ATOM 0 HD11 LEU A 500 1.978 -3.294 8.569 1.00 0.00 H new ATOM 0 HD12 LEU A 500 1.920 -2.136 9.920 1.00 0.00 H new ATOM 0 HD13 LEU A 500 0.620 -2.152 8.705 1.00 0.00 H new ATOM 0 HD21 LEU A 500 2.485 -2.517 6.281 1.00 0.00 H new ATOM 0 HD22 LEU A 500 1.146 -1.346 6.332 1.00 0.00 H new ATOM 0 HD23 LEU A 500 2.798 -0.794 5.965 1.00 0.00 H new ATOM 849 N ASN A 501 4.647 1.662 9.551 1.00 0.00 N ATOM 850 CA ASN A 501 6.100 1.778 9.604 1.00 0.00 C ATOM 851 C ASN A 501 6.767 0.681 8.775 1.00 0.00 C ATOM 852 O ASN A 501 7.613 -0.061 9.276 1.00 0.00 O ATOM 853 CB ASN A 501 6.585 1.709 11.054 1.00 0.00 C ATOM 854 CG ASN A 501 7.792 2.591 11.303 1.00 0.00 C ATOM 855 OD1 ASN A 501 7.768 3.467 12.167 1.00 0.00 O ATOM 856 ND2 ASN A 501 8.858 2.363 10.544 1.00 0.00 N ATOM 0 H ASN A 501 4.171 2.490 9.194 1.00 0.00 H new ATOM 0 HA ASN A 501 6.378 2.743 9.182 1.00 0.00 H new ATOM 0 HB2 ASN A 501 5.776 2.009 11.719 1.00 0.00 H new ATOM 0 HB3 ASN A 501 6.835 0.677 11.302 1.00 0.00 H new ATOM 0 HD21 ASN A 501 9.700 2.925 10.666 1.00 0.00 H new ATOM 0 HD22 ASN A 501 8.834 1.626 9.839 1.00 0.00 H new ATOM 863 N PRO A 502 6.393 0.564 7.490 1.00 0.00 N ATOM 864 CA PRO A 502 6.958 -0.447 6.592 1.00 0.00 C ATOM 865 C PRO A 502 8.391 -0.123 6.183 1.00 0.00 C ATOM 866 O PRO A 502 8.741 1.040 5.977 1.00 0.00 O ATOM 867 CB PRO A 502 6.031 -0.396 5.377 1.00 0.00 C ATOM 868 CG PRO A 502 5.500 0.996 5.369 1.00 0.00 C ATOM 869 CD PRO A 502 5.390 1.409 6.811 1.00 0.00 C ATOM 0 HA PRO A 502 7.013 -1.428 7.064 1.00 0.00 H new ATOM 0 HB2 PRO A 502 6.571 -0.620 4.457 1.00 0.00 H new ATOM 0 HB3 PRO A 502 5.227 -1.127 5.461 1.00 0.00 H new ATOM 0 HG2 PRO A 502 6.166 1.664 4.822 1.00 0.00 H new ATOM 0 HG3 PRO A 502 4.529 1.040 4.876 1.00 0.00 H new ATOM 0 HD2 PRO A 502 5.604 2.470 6.942 1.00 0.00 H new ATOM 0 HD3 PRO A 502 4.388 1.235 7.203 1.00 0.00 H new ATOM 877 N GLU A 503 9.217 -1.158 6.065 1.00 0.00 N ATOM 878 CA GLU A 503 10.612 -0.982 5.678 1.00 0.00 C ATOM 879 C GLU A 503 10.716 -0.386 4.278 1.00 0.00 C ATOM 880 O GLU A 503 9.883 -0.659 3.413 1.00 0.00 O ATOM 881 CB GLU A 503 11.353 -2.319 5.732 1.00 0.00 C ATOM 882 CG GLU A 503 11.462 -2.899 7.133 1.00 0.00 C ATOM 883 CD GLU A 503 10.244 -3.713 7.524 1.00 0.00 C ATOM 884 OE1 GLU A 503 9.488 -4.123 6.619 1.00 0.00 O ATOM 885 OE2 GLU A 503 10.047 -3.941 8.737 1.00 0.00 O ATOM 0 H GLU A 503 8.944 -2.127 6.232 1.00 0.00 H new ATOM 0 HA GLU A 503 11.074 -0.291 6.384 1.00 0.00 H new ATOM 0 HB2 GLU A 503 10.840 -3.035 5.090 1.00 0.00 H new ATOM 0 HB3 GLU A 503 12.355 -2.186 5.324 1.00 0.00 H new ATOM 0 HG2 GLU A 503 12.350 -3.529 7.193 1.00 0.00 H new ATOM 0 HG3 GLU A 503 11.597 -2.088 7.848 1.00 0.00 H new ATOM 892 N ARG A 504 11.742 0.430 4.061 1.00 0.00 N ATOM 893 CA ARG A 504 11.954 1.065 2.765 1.00 0.00 C ATOM 894 C ARG A 504 13.206 0.518 2.087 1.00 0.00 C ATOM 895 O ARG A 504 14.248 0.359 2.722 1.00 0.00 O ATOM 896 CB ARG A 504 12.071 2.581 2.931 1.00 0.00 C ATOM 897 CG ARG A 504 13.230 3.008 3.817 1.00 0.00 C ATOM 898 CD ARG A 504 13.192 4.500 4.103 1.00 0.00 C ATOM 899 NE ARG A 504 13.322 5.295 2.885 1.00 0.00 N ATOM 900 CZ ARG A 504 14.478 5.507 2.258 1.00 0.00 C ATOM 901 NH1 ARG A 504 15.602 4.984 2.731 1.00 0.00 N ATOM 902 NH2 ARG A 504 14.508 6.242 1.155 1.00 0.00 N ATOM 0 H ARG A 504 12.440 0.667 4.766 1.00 0.00 H new ATOM 0 HA ARG A 504 11.095 0.840 2.134 1.00 0.00 H new ATOM 0 HB2 ARG A 504 12.188 3.038 1.948 1.00 0.00 H new ATOM 0 HB3 ARG A 504 11.142 2.965 3.352 1.00 0.00 H new ATOM 0 HG2 ARG A 504 13.194 2.455 4.756 1.00 0.00 H new ATOM 0 HG3 ARG A 504 14.173 2.753 3.333 1.00 0.00 H new ATOM 0 HD2 ARG A 504 12.255 4.750 4.600 1.00 0.00 H new ATOM 0 HD3 ARG A 504 13.997 4.758 4.791 1.00 0.00 H new ATOM 0 HE ARG A 504 12.479 5.712 2.491 1.00 0.00 H new ATOM 0 HH11 ARG A 504 15.583 4.417 3.578 1.00 0.00 H new ATOM 0 HH12 ARG A 504 16.485 5.149 2.247 1.00 0.00 H new ATOM 0 HH21 ARG A 504 13.646 6.645 0.787 1.00 0.00 H new ATOM 0 HH22 ARG A 504 15.393 6.405 0.674 1.00 0.00 H new ATOM 916 N LYS A 505 13.095 0.232 0.794 1.00 0.00 N ATOM 917 CA LYS A 505 14.217 -0.296 0.028 1.00 0.00 C ATOM 918 C LYS A 505 14.407 0.487 -1.267 1.00 0.00 C ATOM 919 O LYS A 505 13.437 0.905 -1.899 1.00 0.00 O ATOM 920 CB LYS A 505 13.997 -1.777 -0.285 1.00 0.00 C ATOM 921 CG LYS A 505 13.911 -2.654 0.953 1.00 0.00 C ATOM 922 CD LYS A 505 13.809 -4.126 0.587 1.00 0.00 C ATOM 923 CE LYS A 505 13.598 -4.993 1.818 1.00 0.00 C ATOM 924 NZ LYS A 505 14.714 -4.853 2.794 1.00 0.00 N ATOM 0 H LYS A 505 12.238 0.357 0.255 1.00 0.00 H new ATOM 0 HA LYS A 505 15.119 -0.190 0.631 1.00 0.00 H new ATOM 0 HB2 LYS A 505 13.078 -1.885 -0.861 1.00 0.00 H new ATOM 0 HB3 LYS A 505 14.812 -2.132 -0.915 1.00 0.00 H new ATOM 0 HG2 LYS A 505 14.791 -2.493 1.576 1.00 0.00 H new ATOM 0 HG3 LYS A 505 13.043 -2.364 1.546 1.00 0.00 H new ATOM 0 HD2 LYS A 505 12.983 -4.273 -0.109 1.00 0.00 H new ATOM 0 HD3 LYS A 505 14.718 -4.438 0.072 1.00 0.00 H new ATOM 0 HE2 LYS A 505 12.659 -4.719 2.299 1.00 0.00 H new ATOM 0 HE3 LYS A 505 13.509 -6.037 1.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 14.612 -5.567 3.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 15.622 -4.991 2.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 14.689 -3.903 3.216 1.00 0.00 H new ATOM 938 N MET A 506 15.663 0.681 -1.657 1.00 0.00 N ATOM 939 CA MET A 506 15.978 1.414 -2.878 1.00 0.00 C ATOM 940 C MET A 506 16.248 0.457 -4.034 1.00 0.00 C ATOM 941 O MET A 506 17.312 -0.157 -4.110 1.00 0.00 O ATOM 942 CB MET A 506 17.192 2.318 -2.655 1.00 0.00 C ATOM 943 CG MET A 506 16.952 3.419 -1.635 1.00 0.00 C ATOM 944 SD MET A 506 18.322 4.586 -1.538 1.00 0.00 S ATOM 945 CE MET A 506 18.120 5.474 -3.080 1.00 0.00 C ATOM 0 H MET A 506 16.478 0.341 -1.146 1.00 0.00 H new ATOM 0 HA MET A 506 15.116 2.030 -3.135 1.00 0.00 H new ATOM 0 HB2 MET A 506 18.034 1.708 -2.327 1.00 0.00 H new ATOM 0 HB3 MET A 506 17.477 2.770 -3.605 1.00 0.00 H new ATOM 0 HG2 MET A 506 16.040 3.956 -1.894 1.00 0.00 H new ATOM 0 HG3 MET A 506 16.791 2.972 -0.654 1.00 0.00 H new ATOM 0 HE1 MET A 506 18.682 6.407 -3.039 1.00 0.00 H new ATOM 0 HE2 MET A 506 18.491 4.863 -3.903 1.00 0.00 H new ATOM 0 HE3 MET A 506 17.064 5.693 -3.238 1.00 0.00 H new ATOM 955 N ILE A 507 15.277 0.335 -4.933 1.00 0.00 N ATOM 956 CA ILE A 507 15.409 -0.547 -6.087 1.00 0.00 C ATOM 957 C ILE A 507 15.239 0.227 -7.390 1.00 0.00 C ATOM 958 O ILE A 507 14.226 0.894 -7.600 1.00 0.00 O ATOM 959 CB ILE A 507 14.377 -1.690 -6.042 1.00 0.00 C ATOM 960 CG1 ILE A 507 14.418 -2.391 -4.683 1.00 0.00 C ATOM 961 CG2 ILE A 507 14.635 -2.685 -7.164 1.00 0.00 C ATOM 962 CD1 ILE A 507 13.333 -3.431 -4.507 1.00 0.00 C ATOM 0 H ILE A 507 14.390 0.836 -4.885 1.00 0.00 H new ATOM 0 HA ILE A 507 16.412 -0.973 -6.048 1.00 0.00 H new ATOM 0 HB ILE A 507 13.383 -1.265 -6.182 1.00 0.00 H new ATOM 0 HG12 ILE A 507 15.390 -2.867 -4.558 1.00 0.00 H new ATOM 0 HG13 ILE A 507 14.325 -1.644 -3.895 1.00 0.00 H new ATOM 0 HG21 ILE A 507 13.897 -3.486 -7.117 1.00 0.00 H new ATOM 0 HG22 ILE A 507 14.559 -2.177 -8.125 1.00 0.00 H new ATOM 0 HG23 ILE A 507 15.634 -3.106 -7.054 1.00 0.00 H new ATOM 0 HD11 ILE A 507 13.423 -3.887 -3.521 1.00 0.00 H new ATOM 0 HD12 ILE A 507 12.356 -2.957 -4.600 1.00 0.00 H new ATOM 0 HD13 ILE A 507 13.438 -4.199 -5.273 1.00 0.00 H new ATOM 974 N ASN A 508 16.237 0.133 -8.264 1.00 0.00 N ATOM 975 CA ASN A 508 16.197 0.824 -9.548 1.00 0.00 C ATOM 976 C ASN A 508 16.021 2.328 -9.353 1.00 0.00 C ATOM 977 O ASN A 508 15.245 2.970 -10.061 1.00 0.00 O ATOM 978 CB ASN A 508 15.062 0.272 -10.412 1.00 0.00 C ATOM 979 CG ASN A 508 15.112 0.794 -11.835 1.00 0.00 C ATOM 980 OD1 ASN A 508 14.325 1.659 -12.219 1.00 0.00 O ATOM 981 ND2 ASN A 508 16.041 0.268 -12.625 1.00 0.00 N ATOM 0 H ASN A 508 17.083 -0.415 -8.106 1.00 0.00 H new ATOM 0 HA ASN A 508 17.146 0.652 -10.055 1.00 0.00 H new ATOM 0 HB2 ASN A 508 15.116 -0.817 -10.425 1.00 0.00 H new ATOM 0 HB3 ASN A 508 14.105 0.539 -9.964 1.00 0.00 H new ATOM 0 HD21 ASN A 508 16.123 0.579 -13.593 1.00 0.00 H new ATOM 0 HD22 ASN A 508 16.672 -0.447 -12.264 1.00 0.00 H new ATOM 988 N ASP A 509 16.747 2.882 -8.388 1.00 0.00 N ATOM 989 CA ASP A 509 16.671 4.310 -8.098 1.00 0.00 C ATOM 990 C ASP A 509 15.251 4.713 -7.715 1.00 0.00 C ATOM 991 O ASP A 509 14.825 5.840 -7.969 1.00 0.00 O ATOM 992 CB ASP A 509 17.135 5.122 -9.309 1.00 0.00 C ATOM 993 CG ASP A 509 17.261 6.602 -9.000 1.00 0.00 C ATOM 994 OD1 ASP A 509 17.256 6.962 -7.804 1.00 0.00 O ATOM 995 OD2 ASP A 509 17.365 7.400 -9.955 1.00 0.00 O ATOM 0 H ASP A 509 17.395 2.365 -7.793 1.00 0.00 H new ATOM 0 HA ASP A 509 17.328 4.520 -7.254 1.00 0.00 H new ATOM 0 HB2 ASP A 509 18.098 4.742 -9.650 1.00 0.00 H new ATOM 0 HB3 ASP A 509 16.429 4.984 -10.128 1.00 0.00 H new ATOM 1000 N LYS A 510 14.522 3.785 -7.102 1.00 0.00 N ATOM 1001 CA LYS A 510 13.150 4.044 -6.683 1.00 0.00 C ATOM 1002 C LYS A 510 12.912 3.546 -5.262 1.00 0.00 C ATOM 1003 O LYS A 510 13.520 2.568 -4.826 1.00 0.00 O ATOM 1004 CB LYS A 510 12.166 3.372 -7.643 1.00 0.00 C ATOM 1005 CG LYS A 510 12.230 3.915 -9.061 1.00 0.00 C ATOM 1006 CD LYS A 510 11.165 3.290 -9.946 1.00 0.00 C ATOM 1007 CE LYS A 510 11.300 3.748 -11.389 1.00 0.00 C ATOM 1008 NZ LYS A 510 12.711 3.689 -11.861 1.00 0.00 N ATOM 0 H LYS A 510 14.859 2.847 -6.885 1.00 0.00 H new ATOM 0 HA LYS A 510 12.988 5.122 -6.703 1.00 0.00 H new ATOM 0 HB2 LYS A 510 12.366 2.301 -7.664 1.00 0.00 H new ATOM 0 HB3 LYS A 510 11.154 3.499 -7.260 1.00 0.00 H new ATOM 0 HG2 LYS A 510 12.101 4.997 -9.043 1.00 0.00 H new ATOM 0 HG3 LYS A 510 13.216 3.719 -9.483 1.00 0.00 H new ATOM 0 HD2 LYS A 510 11.243 2.204 -9.899 1.00 0.00 H new ATOM 0 HD3 LYS A 510 10.177 3.555 -9.570 1.00 0.00 H new ATOM 0 HE2 LYS A 510 10.677 3.122 -12.028 1.00 0.00 H new ATOM 0 HE3 LYS A 510 10.928 4.768 -11.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 12.747 3.911 -12.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 13.282 4.381 -11.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 13.091 2.734 -11.702 1.00 0.00 H new ATOM 1022 N MET A 511 12.024 4.224 -4.543 1.00 0.00 N ATOM 1023 CA MET A 511 11.706 3.849 -3.170 1.00 0.00 C ATOM 1024 C MET A 511 10.582 2.819 -3.134 1.00 0.00 C ATOM 1025 O MET A 511 9.495 3.052 -3.662 1.00 0.00 O ATOM 1026 CB MET A 511 11.307 5.085 -2.361 1.00 0.00 C ATOM 1027 CG MET A 511 12.437 6.085 -2.181 1.00 0.00 C ATOM 1028 SD MET A 511 11.977 7.468 -1.120 1.00 0.00 S ATOM 1029 CE MET A 511 13.450 8.482 -1.228 1.00 0.00 C ATOM 0 H MET A 511 11.512 5.036 -4.888 1.00 0.00 H new ATOM 0 HA MET A 511 12.596 3.404 -2.726 1.00 0.00 H new ATOM 0 HB2 MET A 511 10.471 5.579 -2.857 1.00 0.00 H new ATOM 0 HB3 MET A 511 10.954 4.768 -1.380 1.00 0.00 H new ATOM 0 HG2 MET A 511 13.302 5.577 -1.755 1.00 0.00 H new ATOM 0 HG3 MET A 511 12.739 6.465 -3.157 1.00 0.00 H new ATOM 0 HE1 MET A 511 13.387 9.293 -0.503 1.00 0.00 H new ATOM 0 HE2 MET A 511 14.328 7.872 -1.015 1.00 0.00 H new ATOM 0 HE3 MET A 511 13.532 8.898 -2.232 1.00 0.00 H new ATOM 1039 N HIS A 512 10.852 1.678 -2.507 1.00 0.00 N ATOM 1040 CA HIS A 512 9.864 0.611 -2.401 1.00 0.00 C ATOM 1041 C HIS A 512 9.670 0.191 -0.947 1.00 0.00 C ATOM 1042 O HIS A 512 10.625 0.143 -0.172 1.00 0.00 O ATOM 1043 CB HIS A 512 10.293 -0.595 -3.238 1.00 0.00 C ATOM 1044 CG HIS A 512 10.267 -0.340 -4.713 1.00 0.00 C ATOM 1045 ND1 HIS A 512 11.388 0.005 -5.438 1.00 0.00 N ATOM 1046 CD2 HIS A 512 9.246 -0.384 -5.602 1.00 0.00 C ATOM 1047 CE1 HIS A 512 11.058 0.164 -6.707 1.00 0.00 C ATOM 1048 NE2 HIS A 512 9.764 -0.066 -6.833 1.00 0.00 N ATOM 0 H HIS A 512 11.747 1.469 -2.065 1.00 0.00 H new ATOM 0 HA HIS A 512 8.915 0.990 -2.781 1.00 0.00 H new ATOM 0 HB2 HIS A 512 11.301 -0.889 -2.946 1.00 0.00 H new ATOM 0 HB3 HIS A 512 9.637 -1.436 -3.011 1.00 0.00 H new ATOM 0 HD2 HIS A 512 8.216 -0.624 -5.383 1.00 0.00 H new ATOM 0 HE1 HIS A 512 11.732 0.436 -7.506 1.00 0.00 H new ATOM 0 HE2 HIS A 512 9.235 -0.016 -7.704 1.00 0.00 H new ATOM 1057 N PHE A 513 8.428 -0.112 -0.585 1.00 0.00 N ATOM 1058 CA PHE A 513 8.110 -0.529 0.776 1.00 0.00 C ATOM 1059 C PHE A 513 7.836 -2.028 0.835 1.00 0.00 C ATOM 1060 O PHE A 513 6.996 -2.545 0.099 1.00 0.00 O ATOM 1061 CB PHE A 513 6.897 0.244 1.297 1.00 0.00 C ATOM 1062 CG PHE A 513 7.129 1.724 1.407 1.00 0.00 C ATOM 1063 CD1 PHE A 513 7.711 2.265 2.542 1.00 0.00 C ATOM 1064 CD2 PHE A 513 6.766 2.574 0.375 1.00 0.00 C ATOM 1065 CE1 PHE A 513 7.926 3.626 2.646 1.00 0.00 C ATOM 1066 CE2 PHE A 513 6.978 3.936 0.473 1.00 0.00 C ATOM 1067 CZ PHE A 513 7.559 4.463 1.610 1.00 0.00 C ATOM 0 H PHE A 513 7.626 -0.077 -1.214 1.00 0.00 H new ATOM 0 HA PHE A 513 8.971 -0.310 1.408 1.00 0.00 H new ATOM 0 HB2 PHE A 513 6.051 0.066 0.634 1.00 0.00 H new ATOM 0 HB3 PHE A 513 6.622 -0.146 2.277 1.00 0.00 H new ATOM 0 HD1 PHE A 513 8.000 1.615 3.355 1.00 0.00 H new ATOM 0 HD2 PHE A 513 6.312 2.167 -0.517 1.00 0.00 H new ATOM 0 HE1 PHE A 513 8.380 4.035 3.536 1.00 0.00 H new ATOM 0 HE2 PHE A 513 6.690 4.588 -0.339 1.00 0.00 H new ATOM 0 HZ PHE A 513 7.726 5.527 1.689 1.00 0.00 H new ATOM 1077 N SER A 514 8.550 -2.720 1.716 1.00 0.00 N ATOM 1078 CA SER A 514 8.384 -4.161 1.871 1.00 0.00 C ATOM 1079 C SER A 514 8.242 -4.537 3.342 1.00 0.00 C ATOM 1080 O SER A 514 8.889 -3.949 4.209 1.00 0.00 O ATOM 1081 CB SER A 514 9.572 -4.902 1.256 1.00 0.00 C ATOM 1082 OG SER A 514 9.647 -4.675 -0.141 1.00 0.00 O ATOM 0 H SER A 514 9.249 -2.307 2.333 1.00 0.00 H new ATOM 0 HA SER A 514 7.473 -4.454 1.350 1.00 0.00 H new ATOM 0 HB2 SER A 514 10.496 -4.572 1.731 1.00 0.00 H new ATOM 0 HB3 SER A 514 9.478 -5.971 1.449 1.00 0.00 H new ATOM 0 HG SER A 514 10.497 -5.022 -0.484 1.00 0.00 H new ATOM 1088 N LEU A 515 7.392 -5.521 3.616 1.00 0.00 N ATOM 1089 CA LEU A 515 7.165 -5.978 4.983 1.00 0.00 C ATOM 1090 C LEU A 515 7.217 -7.500 5.063 1.00 0.00 C ATOM 1091 O LEU A 515 6.598 -8.195 4.259 1.00 0.00 O ATOM 1092 CB LEU A 515 5.814 -5.475 5.494 1.00 0.00 C ATOM 1093 CG LEU A 515 5.823 -4.052 6.054 1.00 0.00 C ATOM 1094 CD1 LEU A 515 4.423 -3.459 6.026 1.00 0.00 C ATOM 1095 CD2 LEU A 515 6.381 -4.041 7.469 1.00 0.00 C ATOM 0 H LEU A 515 6.849 -6.018 2.910 1.00 0.00 H new ATOM 0 HA LEU A 515 7.957 -5.571 5.612 1.00 0.00 H new ATOM 0 HB2 LEU A 515 5.093 -5.523 4.678 1.00 0.00 H new ATOM 0 HB3 LEU A 515 5.461 -6.153 6.271 1.00 0.00 H new ATOM 0 HG LEU A 515 6.468 -3.438 5.425 1.00 0.00 H new ATOM 0 HD11 LEU A 515 4.449 -2.446 6.428 1.00 0.00 H new ATOM 0 HD12 LEU A 515 4.060 -3.432 4.999 1.00 0.00 H new ATOM 0 HD13 LEU A 515 3.756 -4.073 6.631 1.00 0.00 H new ATOM 0 HD21 LEU A 515 6.380 -3.021 7.852 1.00 0.00 H new ATOM 0 HD22 LEU A 515 5.762 -4.670 8.109 1.00 0.00 H new ATOM 0 HD23 LEU A 515 7.401 -4.425 7.461 1.00 0.00 H new ATOM 1107 N LYS A 516 7.960 -8.011 6.040 1.00 0.00 N ATOM 1108 CA LYS A 516 8.091 -9.451 6.226 1.00 0.00 C ATOM 1109 C LYS A 516 7.529 -9.879 7.577 1.00 0.00 C ATOM 1110 O LYS A 516 8.221 -9.827 8.593 1.00 0.00 O ATOM 1111 CB LYS A 516 9.559 -9.869 6.116 1.00 0.00 C ATOM 1112 CG LYS A 516 10.042 -10.025 4.683 1.00 0.00 C ATOM 1113 CD LYS A 516 10.318 -8.677 4.038 1.00 0.00 C ATOM 1114 CE LYS A 516 10.844 -8.835 2.621 1.00 0.00 C ATOM 1115 NZ LYS A 516 12.332 -8.880 2.582 1.00 0.00 N ATOM 0 H LYS A 516 8.480 -7.449 6.714 1.00 0.00 H new ATOM 0 HA LYS A 516 7.519 -9.947 5.442 1.00 0.00 H new ATOM 0 HB2 LYS A 516 10.178 -9.127 6.620 1.00 0.00 H new ATOM 0 HB3 LYS A 516 9.700 -10.813 6.643 1.00 0.00 H new ATOM 0 HG2 LYS A 516 10.949 -10.629 4.667 1.00 0.00 H new ATOM 0 HG3 LYS A 516 9.292 -10.561 4.101 1.00 0.00 H new ATOM 0 HD2 LYS A 516 9.403 -8.085 4.024 1.00 0.00 H new ATOM 0 HD3 LYS A 516 11.044 -8.127 4.637 1.00 0.00 H new ATOM 0 HE2 LYS A 516 10.442 -9.749 2.184 1.00 0.00 H new ATOM 0 HE3 LYS A 516 10.490 -8.006 2.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 12.650 -8.988 1.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 12.716 -7.997 2.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 12.670 -9.686 3.146 1.00 0.00 H new ATOM 1129 N GLU A 517 6.269 -10.303 7.580 1.00 0.00 N ATOM 1130 CA GLU A 517 5.612 -10.741 8.806 1.00 0.00 C ATOM 1131 C GLU A 517 4.199 -11.239 8.519 1.00 0.00 C ATOM 1132 O GLU A 517 3.612 -11.895 9.405 1.00 0.00 O ATOM 1133 CB GLU A 517 5.567 -9.599 9.823 1.00 0.00 C ATOM 1134 CG GLU A 517 4.716 -8.420 9.378 1.00 0.00 C ATOM 1135 CD GLU A 517 4.802 -7.246 10.333 1.00 0.00 C ATOM 1136 OE1 GLU A 517 4.251 -7.347 11.449 1.00 0.00 O ATOM 1137 OE2 GLU A 517 5.419 -6.224 9.964 1.00 0.00 O ATOM 1138 OXT GLU A 517 3.691 -10.967 7.411 1.00 0.00 O ATOM 0 H GLU A 517 5.683 -10.352 6.747 1.00 0.00 H new ATOM 0 HA GLU A 517 6.190 -11.566 9.223 1.00 0.00 H new ATOM 0 HB2 GLU A 517 5.179 -9.980 10.768 1.00 0.00 H new ATOM 0 HB3 GLU A 517 6.583 -9.252 10.012 1.00 0.00 H new ATOM 0 HG2 GLU A 517 5.035 -8.101 8.386 1.00 0.00 H new ATOM 0 HG3 GLU A 517 3.677 -8.738 9.292 1.00 0.00 H new