USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 702 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 511 MET CE :methyl -153:sc= -0.0351 (180deg=-0.286) USER MOD Set 1.2: B 961 MET CE :methyl 178:sc= -4.77! (180deg=-4.78!) USER MOD Set 2.1: A 505 LYS NZ :NH3+ -119:sc= -0.851 (180deg=-3.62!) USER MOD Set 2.2: A 514 SER OG : rot 12:sc= -1.75 USER MOD Single : A 453 GLN : amide:sc= 0 K(o=0,f=-0.99) 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 41:sc= -0.126 USER MOD Single : A 466 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 468 MET CE :methyl 160:sc= -3.5 (180deg=-3.76!) USER MOD Single : A 469 THR OG1 : rot 180:sc= 0.0303 USER MOD Single : A 470 THR OG1 : rot -120:sc= -0.0852 USER MOD Single : A 471 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 475 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 476 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 478 GLN : amide:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 479 THR OG1 : rot 180:sc= 0 USER MOD Single : A 480 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 481 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 482 THR OG1 : rot 20:sc= 0.853 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= -0.562 K(o=-0.56,f=-7.7!) USER MOD Single : A 489 THR OG1 : rot 86:sc= 1.18 USER MOD Single : A 491 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 495 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 498 LYS NZ :NH3+ 180:sc= -0.556 (180deg=-0.556) USER MOD Single : A 501 ASN : amide:sc= -3.47! C(o=-3.5!,f=-4.3!) USER MOD Single : A 506 MET CE :methyl -162:sc= -0.139 (180deg=-0.616) USER MOD Single : A 508 ASN : amide:sc= -0.101 X(o=-0.1,f=-0.1) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 512 HIS : no HD1:sc= -3.72 X(o=-3.7,f=-3.6!) USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 949 MET CE :methyl -109:sc= -4.54! (180deg=-8.34!) USER MOD Single : B 951 LYS NZ :NH3+ 167:sc= -1.59 (180deg=-2.01) USER MOD Single : B 958 ASN : amide:sc=-0.00177 X(o=-0.0018,f=-0.0018) USER MOD ----------------------------------------------------------------- ATOM 29 N GLN A 453 -13.979 6.394 -0.022 1.00 0.00 N ATOM 30 CA GLN A 453 -13.750 5.520 1.123 1.00 0.00 C ATOM 31 C GLN A 453 -12.683 4.477 0.805 1.00 0.00 C ATOM 32 O GLN A 453 -12.505 4.089 -0.350 1.00 0.00 O ATOM 33 CB GLN A 453 -15.052 4.827 1.530 1.00 0.00 C ATOM 34 CG GLN A 453 -16.135 5.789 1.991 1.00 0.00 C ATOM 35 CD GLN A 453 -17.430 5.083 2.341 1.00 0.00 C ATOM 36 OE1 GLN A 453 -17.646 3.932 1.961 1.00 0.00 O ATOM 37 NE2 GLN A 453 -18.301 5.773 3.069 1.00 0.00 N ATOM 0 HA GLN A 453 -13.398 6.133 1.953 1.00 0.00 H new ATOM 0 HB2 GLN A 453 -15.426 4.250 0.684 1.00 0.00 H new ATOM 0 HB3 GLN A 453 -14.842 4.119 2.331 1.00 0.00 H new ATOM 0 HG2 GLN A 453 -15.779 6.341 2.861 1.00 0.00 H new ATOM 0 HG3 GLN A 453 -16.325 6.520 1.205 1.00 0.00 H new ATOM 0 HE21 GLN A 453 -18.080 6.725 3.362 1.00 0.00 H new ATOM 0 HE22 GLN A 453 -19.191 5.351 3.335 1.00 0.00 H new ATOM 46 N VAL A 454 -11.977 4.026 1.836 1.00 0.00 N ATOM 47 CA VAL A 454 -10.928 3.028 1.666 1.00 0.00 C ATOM 48 C VAL A 454 -11.330 1.696 2.290 1.00 0.00 C ATOM 49 O VAL A 454 -11.771 1.645 3.438 1.00 0.00 O ATOM 50 CB VAL A 454 -9.600 3.495 2.292 1.00 0.00 C ATOM 51 CG1 VAL A 454 -8.475 2.533 1.942 1.00 0.00 C ATOM 52 CG2 VAL A 454 -9.264 4.908 1.839 1.00 0.00 C ATOM 0 H VAL A 454 -12.112 4.336 2.798 1.00 0.00 H new ATOM 0 HA VAL A 454 -10.788 2.897 0.593 1.00 0.00 H new ATOM 0 HB VAL A 454 -9.714 3.503 3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -7.546 2.880 2.393 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -8.714 1.540 2.322 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -8.358 2.488 0.859 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -8.323 5.221 2.291 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -9.170 4.929 0.753 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -10.058 5.588 2.148 1.00 0.00 H new ATOM 62 N THR A 455 -11.174 0.620 1.527 1.00 0.00 N ATOM 63 CA THR A 455 -11.520 -0.714 2.005 1.00 0.00 C ATOM 64 C THR A 455 -10.472 -1.735 1.576 1.00 0.00 C ATOM 65 O THR A 455 -9.747 -1.525 0.604 1.00 0.00 O ATOM 66 CB THR A 455 -12.898 -1.125 1.481 1.00 0.00 C ATOM 67 OG1 THR A 455 -13.304 -2.355 2.053 1.00 0.00 O ATOM 68 CG2 THR A 455 -12.946 -1.278 -0.024 1.00 0.00 C ATOM 0 H THR A 455 -10.810 0.645 0.574 1.00 0.00 H new ATOM 0 HA THR A 455 -11.548 -0.687 3.094 1.00 0.00 H new ATOM 0 HB THR A 455 -13.570 -0.316 1.767 1.00 0.00 H new ATOM 0 HG1 THR A 455 -14.188 -2.601 1.708 1.00 0.00 H new ATOM 0 HG21 THR A 455 -13.951 -1.571 -0.328 1.00 0.00 H new ATOM 0 HG22 THR A 455 -12.686 -0.330 -0.495 1.00 0.00 H new ATOM 0 HG23 THR A 455 -12.236 -2.044 -0.335 1.00 0.00 H new ATOM 76 N GLU A 456 -10.397 -2.842 2.309 1.00 0.00 N ATOM 77 CA GLU A 456 -9.437 -3.896 2.004 1.00 0.00 C ATOM 78 C GLU A 456 -9.677 -4.466 0.610 1.00 0.00 C ATOM 79 O GLU A 456 -8.733 -4.765 -0.120 1.00 0.00 O ATOM 80 CB GLU A 456 -9.527 -5.013 3.046 1.00 0.00 C ATOM 81 CG GLU A 456 -8.476 -6.097 2.869 1.00 0.00 C ATOM 82 CD GLU A 456 -8.641 -7.239 3.853 1.00 0.00 C ATOM 83 OE1 GLU A 456 -9.583 -7.188 4.672 1.00 0.00 O ATOM 84 OE2 GLU A 456 -7.827 -8.185 3.806 1.00 0.00 O ATOM 0 H GLU A 456 -10.989 -3.032 3.118 1.00 0.00 H new ATOM 0 HA GLU A 456 -8.438 -3.461 2.031 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -9.426 -4.579 4.041 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -10.517 -5.467 2.995 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -8.531 -6.488 1.853 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -7.485 -5.659 2.989 1.00 0.00 H new ATOM 91 N ASP A 457 -10.947 -4.614 0.248 1.00 0.00 N ATOM 92 CA ASP A 457 -11.313 -5.148 -1.058 1.00 0.00 C ATOM 93 C ASP A 457 -10.758 -4.275 -2.179 1.00 0.00 C ATOM 94 O ASP A 457 -10.315 -4.780 -3.211 1.00 0.00 O ATOM 95 CB ASP A 457 -12.834 -5.252 -1.183 1.00 0.00 C ATOM 96 CG ASP A 457 -13.262 -5.982 -2.441 1.00 0.00 C ATOM 97 OD1 ASP A 457 -13.285 -7.231 -2.424 1.00 0.00 O ATOM 98 OD2 ASP A 457 -13.575 -5.305 -3.442 1.00 0.00 O ATOM 0 H ASP A 457 -11.740 -4.371 0.841 1.00 0.00 H new ATOM 0 HA ASP A 457 -10.879 -6.144 -1.149 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -13.233 -5.771 -0.311 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -13.265 -4.251 -1.183 1.00 0.00 H new ATOM 103 N ALA A 458 -10.786 -2.963 -1.970 1.00 0.00 N ATOM 104 CA ALA A 458 -10.286 -2.020 -2.964 1.00 0.00 C ATOM 105 C ALA A 458 -8.784 -2.184 -3.170 1.00 0.00 C ATOM 106 O ALA A 458 -8.303 -2.215 -4.303 1.00 0.00 O ATOM 107 CB ALA A 458 -10.610 -0.594 -2.547 1.00 0.00 C ATOM 0 H ALA A 458 -11.149 -2.529 -1.122 1.00 0.00 H new ATOM 0 HA ALA A 458 -10.781 -2.232 -3.911 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -10.231 0.100 -3.298 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -11.690 -0.478 -2.458 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -10.141 -0.380 -1.586 1.00 0.00 H new ATOM 113 N VAL A 459 -8.048 -2.289 -2.069 1.00 0.00 N ATOM 114 CA VAL A 459 -6.601 -2.450 -2.130 1.00 0.00 C ATOM 115 C VAL A 459 -6.223 -3.773 -2.789 1.00 0.00 C ATOM 116 O VAL A 459 -5.352 -3.819 -3.658 1.00 0.00 O ATOM 117 CB VAL A 459 -5.969 -2.389 -0.725 1.00 0.00 C ATOM 118 CG1 VAL A 459 -4.451 -2.427 -0.817 1.00 0.00 C ATOM 119 CG2 VAL A 459 -6.434 -1.145 0.017 1.00 0.00 C ATOM 0 H VAL A 459 -8.430 -2.265 -1.124 1.00 0.00 H new ATOM 0 HA VAL A 459 -6.215 -1.625 -2.729 1.00 0.00 H new ATOM 0 HB VAL A 459 -6.297 -3.264 -0.163 1.00 0.00 H new ATOM 0 HG11 VAL A 459 -4.025 -2.383 0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 459 -4.139 -3.351 -1.304 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -4.100 -1.574 -1.398 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -5.977 -1.120 1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -6.139 -0.257 -0.542 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -7.519 -1.166 0.119 1.00 0.00 H new ATOM 129 N ARG A 460 -6.885 -4.846 -2.370 1.00 0.00 N ATOM 130 CA ARG A 460 -6.620 -6.171 -2.919 1.00 0.00 C ATOM 131 C ARG A 460 -6.953 -6.220 -4.406 1.00 0.00 C ATOM 132 O ARG A 460 -6.312 -6.940 -5.172 1.00 0.00 O ATOM 133 CB ARG A 460 -7.431 -7.228 -2.167 1.00 0.00 C ATOM 134 CG ARG A 460 -7.040 -7.367 -0.705 1.00 0.00 C ATOM 135 CD ARG A 460 -7.830 -8.471 -0.020 1.00 0.00 C ATOM 136 NE ARG A 460 -7.450 -9.797 -0.502 1.00 0.00 N ATOM 137 CZ ARG A 460 -7.843 -10.933 0.068 1.00 0.00 C ATOM 138 NH1 ARG A 460 -8.626 -10.911 1.139 1.00 0.00 N ATOM 139 NH2 ARG A 460 -7.451 -12.096 -0.435 1.00 0.00 N ATOM 0 H ARG A 460 -7.609 -4.824 -1.652 1.00 0.00 H new ATOM 0 HA ARG A 460 -5.558 -6.383 -2.796 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -8.489 -6.974 -2.229 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -7.305 -8.191 -2.662 1.00 0.00 H new ATOM 0 HG2 ARG A 460 -5.974 -7.581 -0.631 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -7.212 -6.422 -0.190 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -7.669 -8.417 1.057 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -8.895 -8.315 -0.192 1.00 0.00 H new ATOM 0 HE ARG A 460 -6.848 -9.855 -1.324 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -8.930 -10.019 1.530 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -8.924 -11.786 1.571 1.00 0.00 H new ATOM 0 HH21 ARG A 460 -6.849 -12.119 -1.258 1.00 0.00 H new ATOM 0 HH22 ARG A 460 -7.752 -12.968 0.001 1.00 0.00 H new ATOM 153 N ARG A 461 -7.960 -5.452 -4.809 1.00 0.00 N ATOM 154 CA ARG A 461 -8.379 -5.409 -6.205 1.00 0.00 C ATOM 155 C ARG A 461 -7.224 -4.992 -7.111 1.00 0.00 C ATOM 156 O ARG A 461 -7.025 -5.565 -8.182 1.00 0.00 O ATOM 157 CB ARG A 461 -9.552 -4.441 -6.378 1.00 0.00 C ATOM 158 CG ARG A 461 -10.144 -4.447 -7.779 1.00 0.00 C ATOM 159 CD ARG A 461 -11.534 -5.066 -7.801 1.00 0.00 C ATOM 160 NE ARG A 461 -11.539 -6.380 -8.440 1.00 0.00 N ATOM 161 CZ ARG A 461 -11.178 -7.505 -7.826 1.00 0.00 C ATOM 162 NH1 ARG A 461 -10.783 -7.482 -6.559 1.00 0.00 N ATOM 163 NH2 ARG A 461 -11.213 -8.657 -8.481 1.00 0.00 N ATOM 0 H ARG A 461 -8.501 -4.851 -4.188 1.00 0.00 H new ATOM 0 HA ARG A 461 -8.697 -6.411 -6.492 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -10.333 -4.697 -5.662 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -9.218 -3.432 -6.138 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -10.195 -3.426 -8.157 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -9.488 -5.003 -8.449 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -11.906 -5.158 -6.781 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -12.218 -4.403 -8.331 1.00 0.00 H new ATOM 0 HE ARG A 461 -11.837 -6.439 -9.414 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -10.755 -6.599 -6.050 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -10.508 -8.348 -6.095 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -11.516 -8.681 -9.455 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -10.937 -9.519 -8.011 1.00 0.00 H new ATOM 177 N TYR A 462 -6.466 -3.992 -6.674 1.00 0.00 N ATOM 178 CA TYR A 462 -5.331 -3.500 -7.447 1.00 0.00 C ATOM 179 C TYR A 462 -4.239 -4.560 -7.546 1.00 0.00 C ATOM 180 O TYR A 462 -3.681 -4.792 -8.618 1.00 0.00 O ATOM 181 CB TYR A 462 -4.766 -2.229 -6.811 1.00 0.00 C ATOM 182 CG TYR A 462 -5.746 -1.077 -6.781 1.00 0.00 C ATOM 183 CD1 TYR A 462 -6.015 -0.340 -7.928 1.00 0.00 C ATOM 184 CD2 TYR A 462 -6.401 -0.727 -5.607 1.00 0.00 C ATOM 185 CE1 TYR A 462 -6.908 0.714 -7.904 1.00 0.00 C ATOM 186 CE2 TYR A 462 -7.296 0.325 -5.576 1.00 0.00 C ATOM 187 CZ TYR A 462 -7.546 1.042 -6.727 1.00 0.00 C ATOM 188 OH TYR A 462 -8.437 2.090 -6.700 1.00 0.00 O ATOM 0 H TYR A 462 -6.617 -3.507 -5.790 1.00 0.00 H new ATOM 0 HA TYR A 462 -5.682 -3.270 -8.453 1.00 0.00 H new ATOM 0 HB2 TYR A 462 -4.450 -2.453 -5.792 1.00 0.00 H new ATOM 0 HB3 TYR A 462 -3.876 -1.923 -7.361 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -5.518 -0.595 -8.852 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -6.207 -1.286 -4.704 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -7.105 1.278 -8.803 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -7.797 0.584 -4.655 1.00 0.00 H new ATOM 0 HH TYR A 462 -8.799 2.188 -5.795 1.00 0.00 H new ATOM 198 N LEU A 463 -3.938 -5.200 -6.420 1.00 0.00 N ATOM 199 CA LEU A 463 -2.912 -6.234 -6.379 1.00 0.00 C ATOM 200 C LEU A 463 -3.320 -7.442 -7.216 1.00 0.00 C ATOM 201 O LEU A 463 -2.483 -8.075 -7.860 1.00 0.00 O ATOM 202 CB LEU A 463 -2.651 -6.665 -4.934 1.00 0.00 C ATOM 203 CG LEU A 463 -2.229 -5.539 -3.990 1.00 0.00 C ATOM 204 CD1 LEU A 463 -2.139 -6.048 -2.559 1.00 0.00 C ATOM 205 CD2 LEU A 463 -0.900 -4.945 -4.431 1.00 0.00 C ATOM 0 H LEU A 463 -4.391 -5.020 -5.524 1.00 0.00 H new ATOM 0 HA LEU A 463 -1.996 -5.818 -6.799 1.00 0.00 H new ATOM 0 HB2 LEU A 463 -3.555 -7.129 -4.540 1.00 0.00 H new ATOM 0 HB3 LEU A 463 -1.874 -7.430 -4.933 1.00 0.00 H new ATOM 0 HG LEU A 463 -2.986 -4.755 -4.028 1.00 0.00 H new ATOM 0 HD11 LEU A 463 -1.837 -5.233 -1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 463 -3.112 -6.426 -2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 463 -1.403 -6.850 -2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 463 -0.615 -4.145 -3.748 1.00 0.00 H new ATOM 0 HD22 LEU A 463 -0.134 -5.720 -4.422 1.00 0.00 H new ATOM 0 HD23 LEU A 463 -0.998 -4.543 -5.440 1.00 0.00 H new ATOM 217 N THR A 464 -4.611 -7.756 -7.203 1.00 0.00 N ATOM 218 CA THR A 464 -5.129 -8.887 -7.960 1.00 0.00 C ATOM 219 C THR A 464 -5.033 -8.629 -9.460 1.00 0.00 C ATOM 220 O THR A 464 -4.813 -9.551 -10.246 1.00 0.00 O ATOM 221 CB THR A 464 -6.582 -9.164 -7.571 1.00 0.00 C ATOM 222 OG1 THR A 464 -7.290 -7.952 -7.369 1.00 0.00 O ATOM 223 CG2 THR A 464 -6.717 -9.998 -6.314 1.00 0.00 C ATOM 0 H THR A 464 -5.317 -7.242 -6.676 1.00 0.00 H new ATOM 0 HA THR A 464 -4.522 -9.760 -7.721 1.00 0.00 H new ATOM 0 HB THR A 464 -7.002 -9.727 -8.405 1.00 0.00 H new ATOM 0 HG1 THR A 464 -7.037 -7.306 -8.061 1.00 0.00 H new ATOM 0 HG21 THR A 464 -7.773 -10.157 -6.095 1.00 0.00 H new ATOM 0 HG22 THR A 464 -6.228 -10.961 -6.462 1.00 0.00 H new ATOM 0 HG23 THR A 464 -6.248 -9.477 -5.480 1.00 0.00 H new ATOM 231 N ARG A 465 -5.199 -7.370 -9.851 1.00 0.00 N ATOM 232 CA ARG A 465 -5.130 -6.992 -11.258 1.00 0.00 C ATOM 233 C ARG A 465 -3.685 -6.790 -11.698 1.00 0.00 C ATOM 234 O ARG A 465 -3.240 -7.365 -12.691 1.00 0.00 O ATOM 235 CB ARG A 465 -5.934 -5.715 -11.505 1.00 0.00 C ATOM 236 CG ARG A 465 -7.430 -5.888 -11.298 1.00 0.00 C ATOM 237 CD ARG A 465 -8.190 -4.614 -11.632 1.00 0.00 C ATOM 238 NE ARG A 465 -9.594 -4.694 -11.238 1.00 0.00 N ATOM 239 CZ ARG A 465 -10.452 -3.682 -11.342 1.00 0.00 C ATOM 240 NH1 ARG A 465 -10.054 -2.512 -11.827 1.00 0.00 N ATOM 241 NH2 ARG A 465 -11.712 -3.839 -10.960 1.00 0.00 N ATOM 0 H ARG A 465 -5.382 -6.595 -9.214 1.00 0.00 H new ATOM 0 HA ARG A 465 -5.559 -7.803 -11.847 1.00 0.00 H new ATOM 0 HB2 ARG A 465 -5.571 -4.933 -10.838 1.00 0.00 H new ATOM 0 HB3 ARG A 465 -5.754 -5.374 -12.524 1.00 0.00 H new ATOM 0 HG2 ARG A 465 -7.793 -6.704 -11.923 1.00 0.00 H new ATOM 0 HG3 ARG A 465 -7.625 -6.169 -10.263 1.00 0.00 H new ATOM 0 HD2 ARG A 465 -7.720 -3.769 -11.129 1.00 0.00 H new ATOM 0 HD3 ARG A 465 -8.125 -4.423 -12.703 1.00 0.00 H new ATOM 0 HE ARG A 465 -9.937 -5.577 -10.861 1.00 0.00 H new ATOM 0 HH11 ARG A 465 -9.086 -2.385 -12.122 1.00 0.00 H new ATOM 0 HH12 ARG A 465 -10.716 -1.740 -11.904 1.00 0.00 H new ATOM 0 HH21 ARG A 465 -12.024 -4.735 -10.586 1.00 0.00 H new ATOM 0 HH22 ARG A 465 -12.370 -3.063 -11.040 1.00 0.00 H new ATOM 255 N LYS A 466 -2.961 -5.970 -10.950 1.00 0.00 N ATOM 256 CA LYS A 466 -1.564 -5.685 -11.256 1.00 0.00 C ATOM 257 C LYS A 466 -0.758 -5.473 -9.975 1.00 0.00 C ATOM 258 O LYS A 466 -1.228 -4.825 -9.040 1.00 0.00 O ATOM 259 CB LYS A 466 -1.460 -4.447 -12.150 1.00 0.00 C ATOM 260 CG LYS A 466 -0.034 -4.093 -12.539 1.00 0.00 C ATOM 261 CD LYS A 466 0.387 -4.802 -13.816 1.00 0.00 C ATOM 262 CE LYS A 466 0.146 -3.935 -15.041 1.00 0.00 C ATOM 263 NZ LYS A 466 0.744 -4.529 -16.268 1.00 0.00 N ATOM 0 H LYS A 466 -3.318 -5.489 -10.125 1.00 0.00 H new ATOM 0 HA LYS A 466 -1.150 -6.543 -11.785 1.00 0.00 H new ATOM 0 HB2 LYS A 466 -2.044 -4.613 -13.055 1.00 0.00 H new ATOM 0 HB3 LYS A 466 -1.908 -3.598 -11.634 1.00 0.00 H new ATOM 0 HG2 LYS A 466 0.050 -3.015 -12.675 1.00 0.00 H new ATOM 0 HG3 LYS A 466 0.643 -4.366 -11.730 1.00 0.00 H new ATOM 0 HD2 LYS A 466 1.443 -5.064 -13.757 1.00 0.00 H new ATOM 0 HD3 LYS A 466 -0.167 -5.735 -13.915 1.00 0.00 H new ATOM 0 HE2 LYS A 466 -0.926 -3.803 -15.187 1.00 0.00 H new ATOM 0 HE3 LYS A 466 0.569 -2.945 -14.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 0.558 -3.908 -17.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 1.771 -4.632 -16.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 0.322 -5.463 -16.443 1.00 0.00 H new ATOM 277 N PRO A 467 0.472 -6.014 -9.914 1.00 0.00 N ATOM 278 CA PRO A 467 1.337 -5.874 -8.737 1.00 0.00 C ATOM 279 C PRO A 467 1.723 -4.422 -8.476 1.00 0.00 C ATOM 280 O PRO A 467 2.079 -3.689 -9.398 1.00 0.00 O ATOM 281 CB PRO A 467 2.576 -6.702 -9.093 1.00 0.00 C ATOM 282 CG PRO A 467 2.565 -6.793 -10.580 1.00 0.00 C ATOM 283 CD PRO A 467 1.118 -6.800 -10.980 1.00 0.00 C ATOM 0 HA PRO A 467 0.839 -6.208 -7.827 1.00 0.00 H new ATOM 0 HB2 PRO A 467 3.487 -6.223 -8.734 1.00 0.00 H new ATOM 0 HB3 PRO A 467 2.534 -7.691 -8.637 1.00 0.00 H new ATOM 0 HG2 PRO A 467 3.090 -5.949 -11.027 1.00 0.00 H new ATOM 0 HG3 PRO A 467 3.069 -7.698 -10.920 1.00 0.00 H new ATOM 0 HD2 PRO A 467 0.969 -6.348 -11.961 1.00 0.00 H new ATOM 0 HD3 PRO A 467 0.719 -7.813 -11.032 1.00 0.00 H new ATOM 291 N MET A 468 1.648 -4.012 -7.214 1.00 0.00 N ATOM 292 CA MET A 468 1.988 -2.646 -6.834 1.00 0.00 C ATOM 293 C MET A 468 2.826 -2.625 -5.559 1.00 0.00 C ATOM 294 O MET A 468 2.937 -3.632 -4.861 1.00 0.00 O ATOM 295 CB MET A 468 0.717 -1.820 -6.635 1.00 0.00 C ATOM 296 CG MET A 468 -0.167 -1.758 -7.870 1.00 0.00 C ATOM 297 SD MET A 468 -1.561 -0.631 -7.671 1.00 0.00 S ATOM 298 CE MET A 468 -0.733 0.953 -7.782 1.00 0.00 C ATOM 0 H MET A 468 1.355 -4.606 -6.438 1.00 0.00 H new ATOM 0 HA MET A 468 2.577 -2.208 -7.640 1.00 0.00 H new ATOM 0 HB2 MET A 468 0.144 -2.243 -5.809 1.00 0.00 H new ATOM 0 HB3 MET A 468 0.994 -0.806 -6.345 1.00 0.00 H new ATOM 0 HG2 MET A 468 0.431 -1.442 -8.725 1.00 0.00 H new ATOM 0 HG3 MET A 468 -0.541 -2.757 -8.094 1.00 0.00 H new ATOM 0 HE1 MET A 468 -1.459 1.726 -8.033 1.00 0.00 H new ATOM 0 HE2 MET A 468 -0.268 1.188 -6.825 1.00 0.00 H new ATOM 0 HE3 MET A 468 0.033 0.910 -8.556 1.00 0.00 H new ATOM 308 N THR A 469 3.412 -1.469 -5.263 1.00 0.00 N ATOM 309 CA THR A 469 4.238 -1.314 -4.072 1.00 0.00 C ATOM 310 C THR A 469 3.502 -0.512 -3.003 1.00 0.00 C ATOM 311 O THR A 469 2.498 0.141 -3.285 1.00 0.00 O ATOM 312 CB THR A 469 5.557 -0.624 -4.426 1.00 0.00 C ATOM 313 OG1 THR A 469 5.350 0.754 -4.678 1.00 0.00 O ATOM 314 CG2 THR A 469 6.233 -1.217 -5.644 1.00 0.00 C ATOM 0 H THR A 469 3.330 -0.626 -5.832 1.00 0.00 H new ATOM 0 HA THR A 469 4.451 -2.307 -3.675 1.00 0.00 H new ATOM 0 HB THR A 469 6.204 -0.774 -3.561 1.00 0.00 H new ATOM 0 HG1 THR A 469 6.205 1.178 -4.901 1.00 0.00 H new ATOM 0 HG21 THR A 469 7.162 -0.683 -5.841 1.00 0.00 H new ATOM 0 HG22 THR A 469 6.451 -2.270 -5.463 1.00 0.00 H new ATOM 0 HG23 THR A 469 5.573 -1.126 -6.507 1.00 0.00 H new ATOM 322 N THR A 470 4.008 -0.567 -1.774 1.00 0.00 N ATOM 323 CA THR A 470 3.396 0.154 -0.663 1.00 0.00 C ATOM 324 C THR A 470 3.331 1.650 -0.953 1.00 0.00 C ATOM 325 O THR A 470 2.321 2.301 -0.688 1.00 0.00 O ATOM 326 CB THR A 470 4.182 -0.092 0.626 1.00 0.00 C ATOM 327 OG1 THR A 470 5.566 0.125 0.418 1.00 0.00 O ATOM 328 CG2 THR A 470 4.012 -1.493 1.172 1.00 0.00 C ATOM 0 H THR A 470 4.839 -1.103 -1.523 1.00 0.00 H new ATOM 0 HA THR A 470 2.379 -0.218 -0.539 1.00 0.00 H new ATOM 0 HB THR A 470 3.777 0.614 1.351 1.00 0.00 H new ATOM 0 HG1 THR A 470 6.059 -0.699 0.612 1.00 0.00 H new ATOM 0 HG21 THR A 470 4.596 -1.600 2.086 1.00 0.00 H new ATOM 0 HG22 THR A 470 2.959 -1.673 1.390 1.00 0.00 H new ATOM 0 HG23 THR A 470 4.358 -2.216 0.433 1.00 0.00 H new ATOM 336 N LYS A 471 4.416 2.189 -1.499 1.00 0.00 N ATOM 337 CA LYS A 471 4.483 3.609 -1.825 1.00 0.00 C ATOM 338 C LYS A 471 3.423 3.982 -2.856 1.00 0.00 C ATOM 339 O LYS A 471 2.791 5.034 -2.758 1.00 0.00 O ATOM 340 CB LYS A 471 5.873 3.966 -2.355 1.00 0.00 C ATOM 341 CG LYS A 471 6.983 3.764 -1.336 1.00 0.00 C ATOM 342 CD LYS A 471 8.325 4.232 -1.875 1.00 0.00 C ATOM 343 CE LYS A 471 9.450 3.945 -0.894 1.00 0.00 C ATOM 344 NZ LYS A 471 9.465 4.919 0.233 1.00 0.00 N ATOM 0 H LYS A 471 5.261 1.664 -1.725 1.00 0.00 H new ATOM 0 HA LYS A 471 4.292 4.175 -0.913 1.00 0.00 H new ATOM 0 HB2 LYS A 471 6.084 3.359 -3.235 1.00 0.00 H new ATOM 0 HB3 LYS A 471 5.873 5.007 -2.679 1.00 0.00 H new ATOM 0 HG2 LYS A 471 6.745 4.311 -0.424 1.00 0.00 H new ATOM 0 HG3 LYS A 471 7.045 2.709 -1.068 1.00 0.00 H new ATOM 0 HD2 LYS A 471 8.531 3.734 -2.823 1.00 0.00 H new ATOM 0 HD3 LYS A 471 8.283 5.302 -2.079 1.00 0.00 H new ATOM 0 HE2 LYS A 471 9.339 2.935 -0.500 1.00 0.00 H new ATOM 0 HE3 LYS A 471 10.406 3.980 -1.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 10.246 4.689 0.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 9.596 5.881 -0.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 8.563 4.868 0.748 1.00 0.00 H new ATOM 358 N ASP A 472 3.234 3.114 -3.845 1.00 0.00 N ATOM 359 CA ASP A 472 2.251 3.354 -4.895 1.00 0.00 C ATOM 360 C ASP A 472 0.832 3.298 -4.341 1.00 0.00 C ATOM 361 O ASP A 472 -0.025 4.098 -4.717 1.00 0.00 O ATOM 362 CB ASP A 472 2.414 2.328 -6.019 1.00 0.00 C ATOM 363 CG ASP A 472 1.643 2.710 -7.268 1.00 0.00 C ATOM 364 OD1 ASP A 472 0.768 3.596 -7.178 1.00 0.00 O ATOM 365 OD2 ASP A 472 1.916 2.122 -8.336 1.00 0.00 O ATOM 0 H ASP A 472 3.749 2.239 -3.941 1.00 0.00 H new ATOM 0 HA ASP A 472 2.423 4.353 -5.295 1.00 0.00 H new ATOM 0 HB2 ASP A 472 3.471 2.227 -6.265 1.00 0.00 H new ATOM 0 HB3 ASP A 472 2.074 1.353 -5.669 1.00 0.00 H new ATOM 370 N LEU A 473 0.591 2.346 -3.447 1.00 0.00 N ATOM 371 CA LEU A 473 -0.725 2.182 -2.841 1.00 0.00 C ATOM 372 C LEU A 473 -1.102 3.408 -2.014 1.00 0.00 C ATOM 373 O LEU A 473 -2.227 3.900 -2.093 1.00 0.00 O ATOM 374 CB LEU A 473 -0.753 0.930 -1.962 1.00 0.00 C ATOM 375 CG LEU A 473 -0.575 -0.392 -2.712 1.00 0.00 C ATOM 376 CD1 LEU A 473 -0.384 -1.539 -1.732 1.00 0.00 C ATOM 377 CD2 LEU A 473 -1.768 -0.656 -3.619 1.00 0.00 C ATOM 0 H LEU A 473 1.290 1.676 -3.126 1.00 0.00 H new ATOM 0 HA LEU A 473 -1.454 2.070 -3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 473 0.034 1.013 -1.212 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -1.702 0.902 -1.427 1.00 0.00 H new ATOM 0 HG LEU A 473 0.318 -0.318 -3.333 1.00 0.00 H new ATOM 0 HD11 LEU A 473 -0.259 -2.471 -2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 473 0.502 -1.355 -1.125 1.00 0.00 H new ATOM 0 HD13 LEU A 473 -1.258 -1.614 -1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 473 -1.624 -1.600 -4.144 1.00 0.00 H new ATOM 0 HD22 LEU A 473 -2.676 -0.710 -3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 473 -1.859 0.152 -4.344 1.00 0.00 H new ATOM 389 N LEU A 474 -0.153 3.896 -1.222 1.00 0.00 N ATOM 390 CA LEU A 474 -0.385 5.064 -0.381 1.00 0.00 C ATOM 391 C LEU A 474 -0.600 6.312 -1.232 1.00 0.00 C ATOM 392 O LEU A 474 -1.408 7.176 -0.892 1.00 0.00 O ATOM 393 CB LEU A 474 0.795 5.277 0.569 1.00 0.00 C ATOM 394 CG LEU A 474 0.512 6.198 1.757 1.00 0.00 C ATOM 395 CD1 LEU A 474 1.623 6.095 2.790 1.00 0.00 C ATOM 396 CD2 LEU A 474 0.348 7.635 1.287 1.00 0.00 C ATOM 0 H LEU A 474 0.784 3.500 -1.145 1.00 0.00 H new ATOM 0 HA LEU A 474 -1.286 4.886 0.205 1.00 0.00 H new ATOM 0 HB2 LEU A 474 1.115 4.307 0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 474 1.629 5.688 0.001 1.00 0.00 H new ATOM 0 HG LEU A 474 -0.420 5.881 2.226 1.00 0.00 H new ATOM 0 HD11 LEU A 474 1.404 6.757 3.627 1.00 0.00 H new ATOM 0 HD12 LEU A 474 1.693 5.068 3.148 1.00 0.00 H new ATOM 0 HD13 LEU A 474 2.570 6.386 2.336 1.00 0.00 H new ATOM 0 HD21 LEU A 474 0.147 8.278 2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 474 1.263 7.963 0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 474 -0.484 7.696 0.585 1.00 0.00 H new ATOM 408 N LYS A 475 0.129 6.398 -2.339 1.00 0.00 N ATOM 409 CA LYS A 475 0.021 7.539 -3.241 1.00 0.00 C ATOM 410 C LYS A 475 -1.400 7.679 -3.780 1.00 0.00 C ATOM 411 O LYS A 475 -1.856 8.784 -4.075 1.00 0.00 O ATOM 412 CB LYS A 475 1.006 7.392 -4.402 1.00 0.00 C ATOM 413 CG LYS A 475 1.037 8.596 -5.329 1.00 0.00 C ATOM 414 CD LYS A 475 2.096 8.440 -6.408 1.00 0.00 C ATOM 415 CE LYS A 475 1.724 7.351 -7.402 1.00 0.00 C ATOM 416 NZ LYS A 475 2.828 7.073 -8.361 1.00 0.00 N ATOM 0 H LYS A 475 0.802 5.690 -2.634 1.00 0.00 H new ATOM 0 HA LYS A 475 0.265 8.439 -2.676 1.00 0.00 H new ATOM 0 HB2 LYS A 475 2.006 7.227 -4.001 1.00 0.00 H new ATOM 0 HB3 LYS A 475 0.744 6.506 -4.980 1.00 0.00 H new ATOM 0 HG2 LYS A 475 0.059 8.725 -5.793 1.00 0.00 H new ATOM 0 HG3 LYS A 475 1.236 9.498 -4.750 1.00 0.00 H new ATOM 0 HD2 LYS A 475 2.223 9.386 -6.934 1.00 0.00 H new ATOM 0 HD3 LYS A 475 3.054 8.201 -5.947 1.00 0.00 H new ATOM 0 HE2 LYS A 475 1.473 6.438 -6.863 1.00 0.00 H new ATOM 0 HE3 LYS A 475 0.832 7.651 -7.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 2.534 6.325 -9.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 3.051 7.938 -8.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 3.672 6.762 -7.838 1.00 0.00 H new ATOM 430 N LYS A 476 -2.093 6.553 -3.910 1.00 0.00 N ATOM 431 CA LYS A 476 -3.461 6.549 -4.418 1.00 0.00 C ATOM 432 C LYS A 476 -4.366 7.440 -3.572 1.00 0.00 C ATOM 433 O LYS A 476 -5.235 8.135 -4.099 1.00 0.00 O ATOM 434 CB LYS A 476 -4.014 5.123 -4.443 1.00 0.00 C ATOM 435 CG LYS A 476 -3.274 4.200 -5.397 1.00 0.00 C ATOM 436 CD LYS A 476 -3.343 4.705 -6.831 1.00 0.00 C ATOM 437 CE LYS A 476 -3.911 3.653 -7.770 1.00 0.00 C ATOM 438 NZ LYS A 476 -4.860 4.240 -8.755 1.00 0.00 N ATOM 0 H LYS A 476 -1.730 5.630 -3.671 1.00 0.00 H new ATOM 0 HA LYS A 476 -3.441 6.945 -5.433 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -3.966 4.706 -3.437 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -5.066 5.155 -4.725 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -2.232 4.118 -5.089 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -3.703 3.199 -5.342 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -3.962 5.602 -6.872 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -2.345 4.991 -7.165 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -3.095 3.162 -8.301 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -4.421 2.885 -7.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 -5.224 3.489 -9.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -5.652 4.687 -8.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -4.368 4.955 -9.328 1.00 0.00 H new ATOM 452 N PHE A 477 -4.160 7.414 -2.259 1.00 0.00 N ATOM 453 CA PHE A 477 -4.964 8.218 -1.346 1.00 0.00 C ATOM 454 C PHE A 477 -4.081 8.971 -0.355 1.00 0.00 C ATOM 455 O PHE A 477 -4.487 9.235 0.777 1.00 0.00 O ATOM 456 CB PHE A 477 -5.955 7.331 -0.591 1.00 0.00 C ATOM 457 CG PHE A 477 -6.924 6.616 -1.490 1.00 0.00 C ATOM 458 CD1 PHE A 477 -8.022 7.280 -2.015 1.00 0.00 C ATOM 459 CD2 PHE A 477 -6.737 5.281 -1.811 1.00 0.00 C ATOM 460 CE1 PHE A 477 -8.914 6.626 -2.842 1.00 0.00 C ATOM 461 CE2 PHE A 477 -7.626 4.622 -2.638 1.00 0.00 C ATOM 462 CZ PHE A 477 -8.716 5.295 -3.154 1.00 0.00 C ATOM 0 H PHE A 477 -3.445 6.846 -1.804 1.00 0.00 H new ATOM 0 HA PHE A 477 -5.516 8.948 -1.938 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -5.401 6.595 -0.008 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -6.513 7.944 0.117 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -8.182 8.321 -1.774 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -5.887 4.750 -1.410 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -9.765 7.155 -3.244 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -7.469 3.581 -2.881 1.00 0.00 H new ATOM 0 HZ PHE A 477 -9.412 4.782 -3.800 1.00 0.00 H new ATOM 472 N GLN A 478 -2.872 9.315 -0.787 1.00 0.00 N ATOM 473 CA GLN A 478 -1.934 10.038 0.065 1.00 0.00 C ATOM 474 C GLN A 478 -2.474 11.420 0.420 1.00 0.00 C ATOM 475 O GLN A 478 -2.481 11.813 1.586 1.00 0.00 O ATOM 476 CB GLN A 478 -0.578 10.171 -0.630 1.00 0.00 C ATOM 477 CG GLN A 478 0.500 10.782 0.250 1.00 0.00 C ATOM 478 CD GLN A 478 1.771 11.093 -0.516 1.00 0.00 C ATOM 479 OE1 GLN A 478 1.763 11.882 -1.460 1.00 0.00 O ATOM 480 NE2 GLN A 478 2.873 10.471 -0.112 1.00 0.00 N ATOM 0 H GLN A 478 -2.519 9.105 -1.721 1.00 0.00 H new ATOM 0 HA GLN A 478 -1.808 9.469 0.986 1.00 0.00 H new ATOM 0 HB2 GLN A 478 -0.250 9.185 -0.960 1.00 0.00 H new ATOM 0 HB3 GLN A 478 -0.696 10.784 -1.524 1.00 0.00 H new ATOM 0 HG2 GLN A 478 0.119 11.698 0.702 1.00 0.00 H new ATOM 0 HG3 GLN A 478 0.730 10.096 1.065 1.00 0.00 H new ATOM 0 HE21 GLN A 478 2.834 9.824 0.676 1.00 0.00 H new ATOM 0 HE22 GLN A 478 3.758 10.640 -0.590 1.00 0.00 H new ATOM 489 N THR A 479 -2.926 12.151 -0.593 1.00 0.00 N ATOM 490 CA THR A 479 -3.469 13.489 -0.389 1.00 0.00 C ATOM 491 C THR A 479 -4.142 14.003 -1.659 1.00 0.00 C ATOM 492 O THR A 479 -4.107 15.198 -1.952 1.00 0.00 O ATOM 493 CB THR A 479 -2.361 14.453 0.038 1.00 0.00 C ATOM 494 OG1 THR A 479 -1.119 14.071 -0.525 1.00 0.00 O ATOM 495 CG2 THR A 479 -2.180 14.532 1.539 1.00 0.00 C ATOM 0 H THR A 479 -2.927 11.839 -1.564 1.00 0.00 H new ATOM 0 HA THR A 479 -4.217 13.432 0.401 1.00 0.00 H new ATOM 0 HB THR A 479 -2.675 15.432 -0.325 1.00 0.00 H new ATOM 0 HG1 THR A 479 -0.424 14.701 -0.241 1.00 0.00 H new ATOM 0 HG21 THR A 479 -1.379 15.233 1.772 1.00 0.00 H new ATOM 0 HG22 THR A 479 -3.107 14.874 2.000 1.00 0.00 H new ATOM 0 HG23 THR A 479 -1.924 13.546 1.927 1.00 0.00 H new ATOM 503 N LYS A 480 -4.751 13.091 -2.410 1.00 0.00 N ATOM 504 CA LYS A 480 -5.429 13.452 -3.650 1.00 0.00 C ATOM 505 C LYS A 480 -6.712 14.227 -3.368 1.00 0.00 C ATOM 506 O LYS A 480 -6.831 15.400 -3.721 1.00 0.00 O ATOM 507 CB LYS A 480 -5.746 12.198 -4.466 1.00 0.00 C ATOM 508 CG LYS A 480 -6.190 12.494 -5.889 1.00 0.00 C ATOM 509 CD LYS A 480 -7.644 12.938 -5.940 1.00 0.00 C ATOM 510 CE LYS A 480 -7.764 14.437 -6.163 1.00 0.00 C ATOM 511 NZ LYS A 480 -8.109 14.763 -7.575 1.00 0.00 N ATOM 0 H LYS A 480 -4.789 12.098 -2.182 1.00 0.00 H new ATOM 0 HA LYS A 480 -4.760 14.093 -4.225 1.00 0.00 H new ATOM 0 HB2 LYS A 480 -4.862 11.561 -4.495 1.00 0.00 H new ATOM 0 HB3 LYS A 480 -6.529 11.634 -3.960 1.00 0.00 H new ATOM 0 HG2 LYS A 480 -5.556 13.272 -6.314 1.00 0.00 H new ATOM 0 HG3 LYS A 480 -6.059 11.604 -6.504 1.00 0.00 H new ATOM 0 HD2 LYS A 480 -8.159 12.408 -6.741 1.00 0.00 H new ATOM 0 HD3 LYS A 480 -8.141 12.667 -5.008 1.00 0.00 H new ATOM 0 HE2 LYS A 480 -8.528 14.843 -5.500 1.00 0.00 H new ATOM 0 HE3 LYS A 480 -6.823 14.920 -5.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 480 -8.182 15.795 -7.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 480 -7.367 14.398 -8.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 480 -9.019 14.324 -7.820 1.00 0.00 H new ATOM 525 N LYS A 481 -7.671 13.562 -2.731 1.00 0.00 N ATOM 526 CA LYS A 481 -8.947 14.189 -2.404 1.00 0.00 C ATOM 527 C LYS A 481 -9.308 13.957 -0.941 1.00 0.00 C ATOM 528 O LYS A 481 -9.742 14.875 -0.245 1.00 0.00 O ATOM 529 CB LYS A 481 -10.054 13.643 -3.308 1.00 0.00 C ATOM 530 CG LYS A 481 -11.377 14.376 -3.160 1.00 0.00 C ATOM 531 CD LYS A 481 -12.457 13.759 -4.034 1.00 0.00 C ATOM 532 CE LYS A 481 -13.741 14.572 -3.990 1.00 0.00 C ATOM 533 NZ LYS A 481 -13.657 15.790 -4.842 1.00 0.00 N ATOM 0 H LYS A 481 -7.589 12.590 -2.431 1.00 0.00 H new ATOM 0 HA LYS A 481 -8.849 15.262 -2.569 1.00 0.00 H new ATOM 0 HB2 LYS A 481 -9.728 13.705 -4.346 1.00 0.00 H new ATOM 0 HB3 LYS A 481 -10.206 12.587 -3.085 1.00 0.00 H new ATOM 0 HG2 LYS A 481 -11.693 14.351 -2.117 1.00 0.00 H new ATOM 0 HG3 LYS A 481 -11.245 15.424 -3.428 1.00 0.00 H new ATOM 0 HD2 LYS A 481 -12.101 13.694 -5.062 1.00 0.00 H new ATOM 0 HD3 LYS A 481 -12.658 12.741 -3.701 1.00 0.00 H new ATOM 0 HE2 LYS A 481 -14.574 13.953 -4.323 1.00 0.00 H new ATOM 0 HE3 LYS A 481 -13.951 14.863 -2.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 -14.552 16.316 -4.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 -12.878 16.394 -4.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 -13.482 15.512 -5.829 1.00 0.00 H new ATOM 547 N THR A 482 -9.126 12.723 -0.479 1.00 0.00 N ATOM 548 CA THR A 482 -9.433 12.371 0.903 1.00 0.00 C ATOM 549 C THR A 482 -8.674 13.267 1.876 1.00 0.00 C ATOM 550 O THR A 482 -7.443 13.284 1.888 1.00 0.00 O ATOM 551 CB THR A 482 -9.087 10.904 1.166 1.00 0.00 C ATOM 552 OG1 THR A 482 -7.683 10.719 1.194 1.00 0.00 O ATOM 553 CG2 THR A 482 -9.654 9.960 0.128 1.00 0.00 C ATOM 0 H THR A 482 -8.768 11.951 -1.041 1.00 0.00 H new ATOM 0 HA THR A 482 -10.501 12.520 1.060 1.00 0.00 H new ATOM 0 HB THR A 482 -9.536 10.669 2.131 1.00 0.00 H new ATOM 0 HG1 THR A 482 -7.243 11.579 1.361 1.00 0.00 H new ATOM 0 HG21 THR A 482 -9.372 8.936 0.374 1.00 0.00 H new ATOM 0 HG22 THR A 482 -10.741 10.043 0.115 1.00 0.00 H new ATOM 0 HG23 THR A 482 -9.259 10.219 -0.854 1.00 0.00 H new ATOM 561 N GLY A 483 -9.416 14.012 2.687 1.00 0.00 N ATOM 562 CA GLY A 483 -8.797 14.902 3.652 1.00 0.00 C ATOM 563 C GLY A 483 -8.428 14.196 4.942 1.00 0.00 C ATOM 564 O GLY A 483 -8.836 14.616 6.025 1.00 0.00 O ATOM 0 H GLY A 483 -10.436 14.016 2.694 1.00 0.00 H new ATOM 0 HA2 GLY A 483 -7.901 15.341 3.213 1.00 0.00 H new ATOM 0 HA3 GLY A 483 -9.479 15.723 3.873 1.00 0.00 H new ATOM 568 N LEU A 484 -7.654 13.123 4.827 1.00 0.00 N ATOM 569 CA LEU A 484 -7.229 12.358 5.994 1.00 0.00 C ATOM 570 C LEU A 484 -5.770 12.649 6.330 1.00 0.00 C ATOM 571 O LEU A 484 -4.948 12.863 5.439 1.00 0.00 O ATOM 572 CB LEU A 484 -7.420 10.860 5.748 1.00 0.00 C ATOM 573 CG LEU A 484 -8.871 10.376 5.781 1.00 0.00 C ATOM 574 CD1 LEU A 484 -9.430 10.464 7.192 1.00 0.00 C ATOM 575 CD2 LEU A 484 -9.725 11.185 4.815 1.00 0.00 C ATOM 0 H LEU A 484 -7.308 12.763 3.938 1.00 0.00 H new ATOM 0 HA LEU A 484 -7.846 12.659 6.840 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -6.992 10.610 4.777 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -6.853 10.309 6.498 1.00 0.00 H new ATOM 0 HG LEU A 484 -8.894 9.332 5.468 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -10.463 10.116 7.197 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -8.834 9.841 7.859 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -9.394 11.498 7.534 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -10.754 10.827 4.852 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -9.697 12.237 5.098 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -9.337 11.071 3.803 1.00 0.00 H new ATOM 587 N SER A 485 -5.454 12.654 7.621 1.00 0.00 N ATOM 588 CA SER A 485 -4.094 12.918 8.073 1.00 0.00 C ATOM 589 C SER A 485 -3.123 11.889 7.504 1.00 0.00 C ATOM 590 O SER A 485 -3.509 10.763 7.192 1.00 0.00 O ATOM 591 CB SER A 485 -4.030 12.905 9.601 1.00 0.00 C ATOM 592 OG SER A 485 -2.759 13.331 10.062 1.00 0.00 O ATOM 0 H SER A 485 -6.122 12.478 8.372 1.00 0.00 H new ATOM 0 HA SER A 485 -3.803 13.905 7.713 1.00 0.00 H new ATOM 0 HB2 SER A 485 -4.804 13.556 10.006 1.00 0.00 H new ATOM 0 HB3 SER A 485 -4.235 11.899 9.968 1.00 0.00 H new ATOM 0 HG SER A 485 -2.744 13.315 11.042 1.00 0.00 H new ATOM 598 N SER A 486 -1.860 12.284 7.369 1.00 0.00 N ATOM 599 CA SER A 486 -0.834 11.395 6.836 1.00 0.00 C ATOM 600 C SER A 486 -0.726 10.125 7.673 1.00 0.00 C ATOM 601 O SER A 486 -0.592 9.025 7.136 1.00 0.00 O ATOM 602 CB SER A 486 0.518 12.110 6.796 1.00 0.00 C ATOM 603 OG SER A 486 0.430 13.329 6.079 1.00 0.00 O ATOM 0 H SER A 486 -1.523 13.213 7.621 1.00 0.00 H new ATOM 0 HA SER A 486 -1.121 11.116 5.822 1.00 0.00 H new ATOM 0 HB2 SER A 486 0.859 12.306 7.812 1.00 0.00 H new ATOM 0 HB3 SER A 486 1.261 11.463 6.330 1.00 0.00 H new ATOM 0 HG SER A 486 1.307 13.767 6.070 1.00 0.00 H new ATOM 609 N GLU A 487 -0.786 10.283 8.991 1.00 0.00 N ATOM 610 CA GLU A 487 -0.697 9.148 9.902 1.00 0.00 C ATOM 611 C GLU A 487 -1.962 8.298 9.837 1.00 0.00 C ATOM 612 O GLU A 487 -1.899 7.070 9.872 1.00 0.00 O ATOM 613 CB GLU A 487 -0.467 9.634 11.334 1.00 0.00 C ATOM 614 CG GLU A 487 -0.224 8.508 12.326 1.00 0.00 C ATOM 615 CD GLU A 487 -0.090 9.003 13.754 1.00 0.00 C ATOM 616 OE1 GLU A 487 -0.213 10.226 13.974 1.00 0.00 O ATOM 617 OE2 GLU A 487 0.139 8.166 14.653 1.00 0.00 O ATOM 0 H GLU A 487 -0.896 11.186 9.452 1.00 0.00 H new ATOM 0 HA GLU A 487 0.148 8.532 9.595 1.00 0.00 H new ATOM 0 HB2 GLU A 487 0.388 10.309 11.347 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -1.334 10.211 11.657 1.00 0.00 H new ATOM 0 HG2 GLU A 487 -1.047 7.795 12.269 1.00 0.00 H new ATOM 0 HG3 GLU A 487 0.682 7.972 12.045 1.00 0.00 H new ATOM 624 N GLN A 488 -3.110 8.962 9.742 1.00 0.00 N ATOM 625 CA GLN A 488 -4.391 8.267 9.673 1.00 0.00 C ATOM 626 C GLN A 488 -4.498 7.444 8.393 1.00 0.00 C ATOM 627 O GLN A 488 -4.970 6.307 8.413 1.00 0.00 O ATOM 628 CB GLN A 488 -5.543 9.271 9.744 1.00 0.00 C ATOM 629 CG GLN A 488 -5.649 9.981 11.084 1.00 0.00 C ATOM 630 CD GLN A 488 -6.781 10.989 11.121 1.00 0.00 C ATOM 631 OE1 GLN A 488 -6.631 12.125 10.671 1.00 0.00 O ATOM 632 NE2 GLN A 488 -7.923 10.577 11.659 1.00 0.00 N ATOM 0 H GLN A 488 -3.179 9.979 9.711 1.00 0.00 H new ATOM 0 HA GLN A 488 -4.454 7.589 10.524 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -5.415 10.015 8.957 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -6.480 8.752 9.542 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -5.799 9.243 11.872 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -4.708 10.488 11.298 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -8.003 9.626 12.020 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -8.720 11.211 11.711 1.00 0.00 H new ATOM 641 N THR A 489 -4.058 8.025 7.281 1.00 0.00 N ATOM 642 CA THR A 489 -4.106 7.342 5.993 1.00 0.00 C ATOM 643 C THR A 489 -3.282 6.059 6.028 1.00 0.00 C ATOM 644 O THR A 489 -3.711 5.020 5.525 1.00 0.00 O ATOM 645 CB THR A 489 -3.593 8.262 4.884 1.00 0.00 C ATOM 646 OG1 THR A 489 -4.136 9.563 5.021 1.00 0.00 O ATOM 647 CG2 THR A 489 -3.930 7.769 3.494 1.00 0.00 C ATOM 0 H THR A 489 -3.665 8.966 7.246 1.00 0.00 H new ATOM 0 HA THR A 489 -5.144 7.081 5.786 1.00 0.00 H new ATOM 0 HB THR A 489 -2.509 8.272 4.996 1.00 0.00 H new ATOM 0 HG1 THR A 489 -3.582 10.086 5.637 1.00 0.00 H new ATOM 0 HG21 THR A 489 -3.537 8.467 2.755 1.00 0.00 H new ATOM 0 HG22 THR A 489 -3.484 6.787 3.338 1.00 0.00 H new ATOM 0 HG23 THR A 489 -5.012 7.697 3.386 1.00 0.00 H new ATOM 655 N VAL A 490 -2.097 6.140 6.624 1.00 0.00 N ATOM 656 CA VAL A 490 -1.212 4.986 6.725 1.00 0.00 C ATOM 657 C VAL A 490 -1.732 3.982 7.748 1.00 0.00 C ATOM 658 O VAL A 490 -1.661 2.772 7.537 1.00 0.00 O ATOM 659 CB VAL A 490 0.217 5.408 7.118 1.00 0.00 C ATOM 660 CG1 VAL A 490 1.162 4.218 7.059 1.00 0.00 C ATOM 661 CG2 VAL A 490 0.708 6.537 6.221 1.00 0.00 C ATOM 0 H VAL A 490 -1.728 6.993 7.044 1.00 0.00 H new ATOM 0 HA VAL A 490 -1.188 4.518 5.741 1.00 0.00 H new ATOM 0 HB VAL A 490 0.198 5.775 8.144 1.00 0.00 H new ATOM 0 HG11 VAL A 490 2.166 4.536 7.340 1.00 0.00 H new ATOM 0 HG12 VAL A 490 0.820 3.447 7.749 1.00 0.00 H new ATOM 0 HG13 VAL A 490 1.179 3.817 6.046 1.00 0.00 H new ATOM 0 HG21 VAL A 490 1.719 6.821 6.514 1.00 0.00 H new ATOM 0 HG22 VAL A 490 0.711 6.202 5.184 1.00 0.00 H new ATOM 0 HG23 VAL A 490 0.046 7.397 6.323 1.00 0.00 H new ATOM 671 N ASN A 491 -2.254 4.493 8.859 1.00 0.00 N ATOM 672 CA ASN A 491 -2.783 3.642 9.918 1.00 0.00 C ATOM 673 C ASN A 491 -3.916 2.761 9.400 1.00 0.00 C ATOM 674 O ASN A 491 -3.976 1.569 9.702 1.00 0.00 O ATOM 675 CB ASN A 491 -3.281 4.496 11.086 1.00 0.00 C ATOM 676 CG ASN A 491 -3.603 3.666 12.313 1.00 0.00 C ATOM 677 OD1 ASN A 491 -2.713 3.091 12.939 1.00 0.00 O ATOM 678 ND2 ASN A 491 -4.883 3.600 12.663 1.00 0.00 N ATOM 0 H ASN A 491 -2.322 5.493 9.049 1.00 0.00 H new ATOM 0 HA ASN A 491 -1.976 2.996 10.264 1.00 0.00 H new ATOM 0 HB2 ASN A 491 -2.523 5.236 11.340 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -4.171 5.044 10.778 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -5.161 3.056 13.480 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -5.588 4.093 12.115 1.00 0.00 H new ATOM 685 N VAL A 492 -4.814 3.354 8.620 1.00 0.00 N ATOM 686 CA VAL A 492 -5.945 2.621 8.064 1.00 0.00 C ATOM 687 C VAL A 492 -5.477 1.522 7.117 1.00 0.00 C ATOM 688 O VAL A 492 -5.850 0.358 7.268 1.00 0.00 O ATOM 689 CB VAL A 492 -6.908 3.559 7.310 1.00 0.00 C ATOM 690 CG1 VAL A 492 -8.154 2.807 6.869 1.00 0.00 C ATOM 691 CG2 VAL A 492 -7.277 4.756 8.174 1.00 0.00 C ATOM 0 H VAL A 492 -4.780 4.339 8.359 1.00 0.00 H new ATOM 0 HA VAL A 492 -6.473 2.171 8.905 1.00 0.00 H new ATOM 0 HB VAL A 492 -6.400 3.927 6.419 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -8.821 3.487 6.339 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -7.870 1.988 6.208 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -8.666 2.406 7.744 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -7.957 5.406 7.624 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -7.764 4.410 9.086 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -6.375 5.310 8.432 1.00 0.00 H new ATOM 701 N LEU A 493 -4.659 1.898 6.140 1.00 0.00 N ATOM 702 CA LEU A 493 -4.141 0.944 5.166 1.00 0.00 C ATOM 703 C LEU A 493 -3.181 -0.041 5.825 1.00 0.00 C ATOM 704 O LEU A 493 -3.071 -1.192 5.402 1.00 0.00 O ATOM 705 CB LEU A 493 -3.433 1.680 4.027 1.00 0.00 C ATOM 706 CG LEU A 493 -4.356 2.227 2.936 1.00 0.00 C ATOM 707 CD1 LEU A 493 -4.950 1.089 2.120 1.00 0.00 C ATOM 708 CD2 LEU A 493 -5.458 3.080 3.547 1.00 0.00 C ATOM 0 H LEU A 493 -4.340 2.857 6.001 1.00 0.00 H new ATOM 0 HA LEU A 493 -4.984 0.385 4.760 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -2.864 2.508 4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -2.715 1.001 3.567 1.00 0.00 H new ATOM 0 HG LEU A 493 -3.766 2.856 2.269 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -5.604 1.497 1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -4.147 0.520 1.651 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -5.525 0.434 2.774 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -6.104 3.460 2.756 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -6.046 2.475 4.237 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -5.014 3.917 4.086 1.00 0.00 H new ATOM 720 N ALA A 494 -2.487 0.418 6.861 1.00 0.00 N ATOM 721 CA ALA A 494 -1.535 -0.424 7.576 1.00 0.00 C ATOM 722 C ALA A 494 -2.238 -1.581 8.274 1.00 0.00 C ATOM 723 O ALA A 494 -1.816 -2.732 8.170 1.00 0.00 O ATOM 724 CB ALA A 494 -0.751 0.404 8.582 1.00 0.00 C ATOM 0 H ALA A 494 -2.566 1.368 7.224 1.00 0.00 H new ATOM 0 HA ALA A 494 -0.842 -0.844 6.847 1.00 0.00 H new ATOM 0 HB1 ALA A 494 -0.044 -0.237 9.109 1.00 0.00 H new ATOM 0 HB2 ALA A 494 -0.208 1.192 8.060 1.00 0.00 H new ATOM 0 HB3 ALA A 494 -1.439 0.852 9.299 1.00 0.00 H new ATOM 730 N GLN A 495 -3.312 -1.266 8.984 1.00 0.00 N ATOM 731 CA GLN A 495 -4.078 -2.277 9.703 1.00 0.00 C ATOM 732 C GLN A 495 -4.641 -3.320 8.743 1.00 0.00 C ATOM 733 O GLN A 495 -4.684 -4.509 9.058 1.00 0.00 O ATOM 734 CB GLN A 495 -5.218 -1.623 10.488 1.00 0.00 C ATOM 735 CG GLN A 495 -4.743 -0.764 11.648 1.00 0.00 C ATOM 736 CD GLN A 495 -5.883 -0.055 12.352 1.00 0.00 C ATOM 737 OE1 GLN A 495 -6.992 0.038 11.825 1.00 0.00 O ATOM 738 NE2 GLN A 495 -5.616 0.450 13.551 1.00 0.00 N ATOM 0 H GLN A 495 -3.674 -0.317 9.078 1.00 0.00 H new ATOM 0 HA GLN A 495 -3.405 -2.776 10.400 1.00 0.00 H new ATOM 0 HB2 GLN A 495 -5.809 -1.008 9.809 1.00 0.00 H new ATOM 0 HB3 GLN A 495 -5.878 -2.401 10.870 1.00 0.00 H new ATOM 0 HG2 GLN A 495 -4.211 -1.390 12.365 1.00 0.00 H new ATOM 0 HG3 GLN A 495 -4.032 -0.025 11.280 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -4.683 0.350 13.950 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -6.344 0.938 14.073 1.00 0.00 H new ATOM 747 N ILE A 496 -5.072 -2.866 7.571 1.00 0.00 N ATOM 748 CA ILE A 496 -5.631 -3.756 6.565 1.00 0.00 C ATOM 749 C ILE A 496 -4.523 -4.508 5.826 1.00 0.00 C ATOM 750 O ILE A 496 -4.572 -5.730 5.691 1.00 0.00 O ATOM 751 CB ILE A 496 -6.511 -2.966 5.561 1.00 0.00 C ATOM 752 CG1 ILE A 496 -7.993 -3.229 5.835 1.00 0.00 C ATOM 753 CG2 ILE A 496 -6.168 -3.313 4.118 1.00 0.00 C ATOM 754 CD1 ILE A 496 -8.922 -2.350 5.027 1.00 0.00 C ATOM 0 H ILE A 496 -5.044 -1.884 7.296 1.00 0.00 H new ATOM 0 HA ILE A 496 -6.259 -4.486 7.074 1.00 0.00 H new ATOM 0 HB ILE A 496 -6.305 -1.905 5.702 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -8.214 -4.274 5.618 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -8.191 -3.075 6.896 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -6.805 -2.740 3.445 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -5.123 -3.070 3.924 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -6.330 -4.378 3.952 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -9.956 -2.591 5.272 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -8.728 -1.303 5.262 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -8.752 -2.521 3.964 1.00 0.00 H new ATOM 766 N LEU A 497 -3.530 -3.765 5.349 1.00 0.00 N ATOM 767 CA LEU A 497 -2.412 -4.356 4.622 1.00 0.00 C ATOM 768 C LEU A 497 -1.592 -5.274 5.519 1.00 0.00 C ATOM 769 O LEU A 497 -1.300 -6.407 5.147 1.00 0.00 O ATOM 770 CB LEU A 497 -1.518 -3.259 4.041 1.00 0.00 C ATOM 771 CG LEU A 497 -2.077 -2.558 2.802 1.00 0.00 C ATOM 772 CD1 LEU A 497 -1.271 -1.308 2.487 1.00 0.00 C ATOM 773 CD2 LEU A 497 -2.082 -3.505 1.612 1.00 0.00 C ATOM 0 H LEU A 497 -3.476 -2.752 5.453 1.00 0.00 H new ATOM 0 HA LEU A 497 -2.822 -4.954 3.808 1.00 0.00 H new ATOM 0 HB2 LEU A 497 -1.338 -2.511 4.813 1.00 0.00 H new ATOM 0 HB3 LEU A 497 -0.551 -3.695 3.788 1.00 0.00 H new ATOM 0 HG LEU A 497 -3.105 -2.260 3.009 1.00 0.00 H new ATOM 0 HD11 LEU A 497 -1.683 -0.823 1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 497 -1.318 -0.622 3.333 1.00 0.00 H new ATOM 0 HD13 LEU A 497 -0.233 -1.582 2.300 1.00 0.00 H new ATOM 0 HD21 LEU A 497 -2.483 -2.990 0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 497 -1.064 -3.833 1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 497 -2.703 -4.371 1.839 1.00 0.00 H new ATOM 785 N LYS A 498 -1.224 -4.788 6.701 1.00 0.00 N ATOM 786 CA LYS A 498 -0.430 -5.582 7.639 1.00 0.00 C ATOM 787 C LYS A 498 -1.005 -6.986 7.801 1.00 0.00 C ATOM 788 O LYS A 498 -0.266 -7.962 7.874 1.00 0.00 O ATOM 789 CB LYS A 498 -0.357 -4.888 8.999 1.00 0.00 C ATOM 790 CG LYS A 498 0.372 -5.696 10.062 1.00 0.00 C ATOM 791 CD LYS A 498 1.845 -5.859 9.724 1.00 0.00 C ATOM 792 CE LYS A 498 2.431 -7.103 10.373 1.00 0.00 C ATOM 793 NZ LYS A 498 3.234 -6.772 11.583 1.00 0.00 N ATOM 0 H LYS A 498 -1.461 -3.853 7.033 1.00 0.00 H new ATOM 0 HA LYS A 498 0.576 -5.670 7.229 1.00 0.00 H new ATOM 0 HB2 LYS A 498 0.143 -3.927 8.880 1.00 0.00 H new ATOM 0 HB3 LYS A 498 -1.369 -4.680 9.345 1.00 0.00 H new ATOM 0 HG2 LYS A 498 0.272 -5.202 11.029 1.00 0.00 H new ATOM 0 HG3 LYS A 498 -0.092 -6.678 10.156 1.00 0.00 H new ATOM 0 HD2 LYS A 498 1.967 -5.920 8.643 1.00 0.00 H new ATOM 0 HD3 LYS A 498 2.396 -4.979 10.058 1.00 0.00 H new ATOM 0 HE2 LYS A 498 1.625 -7.783 10.647 1.00 0.00 H new ATOM 0 HE3 LYS A 498 3.059 -7.627 9.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 3.616 -7.647 11.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 4.019 -6.143 11.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 2.629 -6.295 12.281 1.00 0.00 H new ATOM 807 N ARG A 499 -2.322 -7.088 7.860 1.00 0.00 N ATOM 808 CA ARG A 499 -2.966 -8.385 8.006 1.00 0.00 C ATOM 809 C ARG A 499 -3.051 -9.120 6.668 1.00 0.00 C ATOM 810 O ARG A 499 -3.313 -10.322 6.625 1.00 0.00 O ATOM 811 CB ARG A 499 -4.363 -8.226 8.610 1.00 0.00 C ATOM 812 CG ARG A 499 -4.355 -7.660 10.021 1.00 0.00 C ATOM 813 CD ARG A 499 -5.759 -7.589 10.599 1.00 0.00 C ATOM 814 NE ARG A 499 -5.799 -6.832 11.848 1.00 0.00 N ATOM 815 CZ ARG A 499 -5.356 -7.300 13.013 1.00 0.00 C ATOM 816 NH1 ARG A 499 -4.839 -8.519 13.093 1.00 0.00 N ATOM 817 NH2 ARG A 499 -5.429 -6.545 14.101 1.00 0.00 N ATOM 0 H ARG A 499 -2.963 -6.296 7.810 1.00 0.00 H new ATOM 0 HA ARG A 499 -2.354 -8.983 8.681 1.00 0.00 H new ATOM 0 HB2 ARG A 499 -4.955 -7.573 7.969 1.00 0.00 H new ATOM 0 HB3 ARG A 499 -4.858 -9.197 8.620 1.00 0.00 H new ATOM 0 HG2 ARG A 499 -3.728 -8.282 10.660 1.00 0.00 H new ATOM 0 HG3 ARG A 499 -3.913 -6.664 10.012 1.00 0.00 H new ATOM 0 HD2 ARG A 499 -6.427 -7.126 9.873 1.00 0.00 H new ATOM 0 HD3 ARG A 499 -6.130 -8.599 10.775 1.00 0.00 H new ATOM 0 HE ARG A 499 -6.189 -5.890 11.826 1.00 0.00 H new ATOM 0 HH11 ARG A 499 -4.779 -9.103 12.259 1.00 0.00 H new ATOM 0 HH12 ARG A 499 -4.501 -8.872 13.988 1.00 0.00 H new ATOM 0 HH21 ARG A 499 -5.824 -5.606 14.045 1.00 0.00 H new ATOM 0 HH22 ARG A 499 -5.090 -6.903 14.994 1.00 0.00 H new ATOM 831 N LEU A 500 -2.853 -8.384 5.579 1.00 0.00 N ATOM 832 CA LEU A 500 -2.931 -8.951 4.238 1.00 0.00 C ATOM 833 C LEU A 500 -1.983 -10.127 4.041 1.00 0.00 C ATOM 834 O LEU A 500 -2.320 -11.090 3.352 1.00 0.00 O ATOM 835 CB LEU A 500 -2.658 -7.873 3.187 1.00 0.00 C ATOM 836 CG LEU A 500 -2.816 -8.328 1.736 1.00 0.00 C ATOM 837 CD1 LEU A 500 -4.285 -8.533 1.398 1.00 0.00 C ATOM 838 CD2 LEU A 500 -2.186 -7.317 0.790 1.00 0.00 C ATOM 0 H LEU A 500 -2.636 -7.388 5.600 1.00 0.00 H new ATOM 0 HA LEU A 500 -3.945 -9.332 4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 500 -3.332 -7.035 3.364 1.00 0.00 H new ATOM 0 HB3 LEU A 500 -1.643 -7.500 3.326 1.00 0.00 H new ATOM 0 HG LEU A 500 -2.300 -9.281 1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 500 -4.378 -8.857 0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 500 -4.707 -9.294 2.055 1.00 0.00 H new ATOM 0 HD13 LEU A 500 -4.824 -7.596 1.535 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -2.307 -7.656 -0.239 1.00 0.00 H new ATOM 0 HD22 LEU A 500 -2.674 -6.350 0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 500 -1.124 -7.219 1.017 1.00 0.00 H new ATOM 850 N ASN A 501 -0.799 -10.045 4.632 1.00 0.00 N ATOM 851 CA ASN A 501 0.199 -11.108 4.505 1.00 0.00 C ATOM 852 C ASN A 501 0.316 -11.592 3.057 1.00 0.00 C ATOM 853 O ASN A 501 0.282 -12.794 2.791 1.00 0.00 O ATOM 854 CB ASN A 501 -0.151 -12.281 5.428 1.00 0.00 C ATOM 855 CG ASN A 501 -1.416 -13.003 5.007 1.00 0.00 C ATOM 856 OD1 ASN A 501 -1.369 -13.969 4.246 1.00 0.00 O ATOM 857 ND2 ASN A 501 -2.557 -12.535 5.501 1.00 0.00 N ATOM 0 H ASN A 501 -0.502 -9.255 5.205 1.00 0.00 H new ATOM 0 HA ASN A 501 1.164 -10.697 4.802 1.00 0.00 H new ATOM 0 HB2 ASN A 501 0.679 -12.988 5.440 1.00 0.00 H new ATOM 0 HB3 ASN A 501 -0.270 -11.913 6.447 1.00 0.00 H new ATOM 0 HD21 ASN A 501 -3.441 -12.979 5.252 1.00 0.00 H new ATOM 0 HD22 ASN A 501 -2.549 -11.731 6.129 1.00 0.00 H new ATOM 864 N PRO A 502 0.455 -10.657 2.096 1.00 0.00 N ATOM 865 CA PRO A 502 0.576 -11.001 0.676 1.00 0.00 C ATOM 866 C PRO A 502 1.959 -11.539 0.324 1.00 0.00 C ATOM 867 O PRO A 502 2.761 -11.845 1.207 1.00 0.00 O ATOM 868 CB PRO A 502 0.330 -9.666 -0.025 1.00 0.00 C ATOM 869 CG PRO A 502 0.812 -8.645 0.945 1.00 0.00 C ATOM 870 CD PRO A 502 0.506 -9.195 2.313 1.00 0.00 C ATOM 0 HA PRO A 502 -0.117 -11.790 0.385 1.00 0.00 H new ATOM 0 HB2 PRO A 502 0.873 -9.606 -0.968 1.00 0.00 H new ATOM 0 HB3 PRO A 502 -0.726 -9.527 -0.256 1.00 0.00 H new ATOM 0 HG2 PRO A 502 1.881 -8.468 0.826 1.00 0.00 H new ATOM 0 HG3 PRO A 502 0.311 -7.690 0.787 1.00 0.00 H new ATOM 0 HD2 PRO A 502 1.275 -8.923 3.036 1.00 0.00 H new ATOM 0 HD3 PRO A 502 -0.440 -8.813 2.696 1.00 0.00 H new ATOM 878 N GLU A 503 2.232 -11.649 -0.972 1.00 0.00 N ATOM 879 CA GLU A 503 3.519 -12.147 -1.443 1.00 0.00 C ATOM 880 C GLU A 503 4.340 -11.021 -2.063 1.00 0.00 C ATOM 881 O GLU A 503 3.790 -10.017 -2.517 1.00 0.00 O ATOM 882 CB GLU A 503 3.313 -13.267 -2.466 1.00 0.00 C ATOM 883 CG GLU A 503 2.565 -14.468 -1.910 1.00 0.00 C ATOM 884 CD GLU A 503 1.062 -14.265 -1.898 1.00 0.00 C ATOM 885 OE1 GLU A 503 0.581 -13.341 -2.588 1.00 0.00 O ATOM 886 OE2 GLU A 503 0.366 -15.031 -1.199 1.00 0.00 O ATOM 0 H GLU A 503 1.579 -11.400 -1.715 1.00 0.00 H new ATOM 0 HA GLU A 503 4.065 -12.544 -0.587 1.00 0.00 H new ATOM 0 HB2 GLU A 503 2.764 -12.871 -3.320 1.00 0.00 H new ATOM 0 HB3 GLU A 503 4.285 -13.594 -2.835 1.00 0.00 H new ATOM 0 HG2 GLU A 503 2.804 -15.348 -2.507 1.00 0.00 H new ATOM 0 HG3 GLU A 503 2.909 -14.668 -0.895 1.00 0.00 H new ATOM 893 N ARG A 504 5.657 -11.192 -2.077 1.00 0.00 N ATOM 894 CA ARG A 504 6.552 -10.187 -2.641 1.00 0.00 C ATOM 895 C ARG A 504 7.256 -10.718 -3.885 1.00 0.00 C ATOM 896 O ARG A 504 7.706 -11.863 -3.915 1.00 0.00 O ATOM 897 CB ARG A 504 7.587 -9.755 -1.600 1.00 0.00 C ATOM 898 CG ARG A 504 8.527 -10.871 -1.177 1.00 0.00 C ATOM 899 CD ARG A 504 9.364 -10.469 0.027 1.00 0.00 C ATOM 900 NE ARG A 504 10.356 -11.486 0.369 1.00 0.00 N ATOM 901 CZ ARG A 504 11.440 -11.739 -0.359 1.00 0.00 C ATOM 902 NH1 ARG A 504 11.678 -11.052 -1.470 1.00 0.00 N ATOM 903 NH2 ARG A 504 12.291 -12.682 0.024 1.00 0.00 N ATOM 0 H ARG A 504 6.129 -12.016 -1.705 1.00 0.00 H new ATOM 0 HA ARG A 504 5.952 -9.324 -2.928 1.00 0.00 H new ATOM 0 HB2 ARG A 504 8.174 -8.930 -2.004 1.00 0.00 H new ATOM 0 HB3 ARG A 504 7.068 -9.375 -0.720 1.00 0.00 H new ATOM 0 HG2 ARG A 504 7.949 -11.764 -0.938 1.00 0.00 H new ATOM 0 HG3 ARG A 504 9.184 -11.129 -2.008 1.00 0.00 H new ATOM 0 HD2 ARG A 504 9.869 -9.526 -0.181 1.00 0.00 H new ATOM 0 HD3 ARG A 504 8.710 -10.298 0.882 1.00 0.00 H new ATOM 0 HE ARG A 504 10.208 -12.034 1.216 1.00 0.00 H new ATOM 0 HH11 ARG A 504 11.028 -10.325 -1.770 1.00 0.00 H new ATOM 0 HH12 ARG A 504 12.511 -11.251 -2.024 1.00 0.00 H new ATOM 0 HH21 ARG A 504 12.114 -13.213 0.877 1.00 0.00 H new ATOM 0 HH22 ARG A 504 13.122 -12.876 -0.534 1.00 0.00 H new ATOM 917 N LYS A 505 7.348 -9.877 -4.910 1.00 0.00 N ATOM 918 CA LYS A 505 7.999 -10.259 -6.158 1.00 0.00 C ATOM 919 C LYS A 505 9.000 -9.196 -6.596 1.00 0.00 C ATOM 920 O LYS A 505 8.790 -8.003 -6.377 1.00 0.00 O ATOM 921 CB LYS A 505 6.956 -10.477 -7.256 1.00 0.00 C ATOM 922 CG LYS A 505 5.996 -11.619 -6.965 1.00 0.00 C ATOM 923 CD LYS A 505 5.065 -11.876 -8.139 1.00 0.00 C ATOM 924 CE LYS A 505 4.035 -12.944 -7.809 1.00 0.00 C ATOM 925 NZ LYS A 505 2.721 -12.666 -8.452 1.00 0.00 N ATOM 0 H LYS A 505 6.980 -8.926 -4.901 1.00 0.00 H new ATOM 0 HA LYS A 505 8.537 -11.191 -5.988 1.00 0.00 H new ATOM 0 HB2 LYS A 505 6.385 -9.558 -7.390 1.00 0.00 H new ATOM 0 HB3 LYS A 505 7.468 -10.675 -8.198 1.00 0.00 H new ATOM 0 HG2 LYS A 505 6.562 -12.524 -6.743 1.00 0.00 H new ATOM 0 HG3 LYS A 505 5.408 -11.385 -6.077 1.00 0.00 H new ATOM 0 HD2 LYS A 505 4.557 -10.951 -8.411 1.00 0.00 H new ATOM 0 HD3 LYS A 505 5.648 -12.187 -9.006 1.00 0.00 H new ATOM 0 HE2 LYS A 505 4.402 -13.916 -8.138 1.00 0.00 H new ATOM 0 HE3 LYS A 505 3.905 -13.002 -6.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 1.993 -12.549 -7.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 2.788 -11.794 -9.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 2.463 -13.460 -9.072 1.00 0.00 H new ATOM 939 N MET A 506 10.090 -9.636 -7.216 1.00 0.00 N ATOM 940 CA MET A 506 11.124 -8.722 -7.685 1.00 0.00 C ATOM 941 C MET A 506 10.817 -8.228 -9.095 1.00 0.00 C ATOM 942 O MET A 506 11.042 -8.939 -10.075 1.00 0.00 O ATOM 943 CB MET A 506 12.491 -9.408 -7.659 1.00 0.00 C ATOM 944 CG MET A 506 12.962 -9.773 -6.260 1.00 0.00 C ATOM 945 SD MET A 506 14.647 -10.413 -6.239 1.00 0.00 S ATOM 946 CE MET A 506 14.481 -11.840 -7.308 1.00 0.00 C ATOM 0 H MET A 506 10.280 -10.620 -7.405 1.00 0.00 H new ATOM 0 HA MET A 506 11.143 -7.862 -7.015 1.00 0.00 H new ATOM 0 HB2 MET A 506 12.446 -10.312 -8.266 1.00 0.00 H new ATOM 0 HB3 MET A 506 13.227 -8.750 -8.121 1.00 0.00 H new ATOM 0 HG2 MET A 506 12.904 -8.892 -5.620 1.00 0.00 H new ATOM 0 HG3 MET A 506 12.289 -10.519 -5.837 1.00 0.00 H new ATOM 0 HE1 MET A 506 15.323 -12.513 -7.150 1.00 0.00 H new ATOM 0 HE2 MET A 506 13.552 -12.361 -7.078 1.00 0.00 H new ATOM 0 HE3 MET A 506 14.467 -11.515 -8.348 1.00 0.00 H new ATOM 956 N ILE A 507 10.301 -7.007 -9.190 1.00 0.00 N ATOM 957 CA ILE A 507 9.963 -6.418 -10.480 1.00 0.00 C ATOM 958 C ILE A 507 10.777 -5.153 -10.735 1.00 0.00 C ATOM 959 O ILE A 507 10.724 -4.202 -9.955 1.00 0.00 O ATOM 960 CB ILE A 507 8.463 -6.076 -10.566 1.00 0.00 C ATOM 961 CG1 ILE A 507 7.618 -7.289 -10.172 1.00 0.00 C ATOM 962 CG2 ILE A 507 8.103 -5.607 -11.968 1.00 0.00 C ATOM 963 CD1 ILE A 507 6.135 -6.998 -10.108 1.00 0.00 C ATOM 0 H ILE A 507 10.108 -6.406 -8.389 1.00 0.00 H new ATOM 0 HA ILE A 507 10.202 -7.161 -11.240 1.00 0.00 H new ATOM 0 HB ILE A 507 8.251 -5.266 -9.869 1.00 0.00 H new ATOM 0 HG12 ILE A 507 7.792 -8.091 -10.889 1.00 0.00 H new ATOM 0 HG13 ILE A 507 7.951 -7.653 -9.200 1.00 0.00 H new ATOM 0 HG21 ILE A 507 7.040 -5.370 -12.011 1.00 0.00 H new ATOM 0 HG22 ILE A 507 8.683 -4.718 -12.214 1.00 0.00 H new ATOM 0 HG23 ILE A 507 8.327 -6.397 -12.685 1.00 0.00 H new ATOM 0 HD11 ILE A 507 5.599 -7.903 -9.823 1.00 0.00 H new ATOM 0 HD12 ILE A 507 5.949 -6.218 -9.370 1.00 0.00 H new ATOM 0 HD13 ILE A 507 5.787 -6.663 -11.085 1.00 0.00 H new ATOM 975 N ASN A 508 11.530 -5.149 -11.830 1.00 0.00 N ATOM 976 CA ASN A 508 12.356 -4.001 -12.188 1.00 0.00 C ATOM 977 C ASN A 508 13.330 -3.660 -11.064 1.00 0.00 C ATOM 978 O ASN A 508 13.529 -2.491 -10.733 1.00 0.00 O ATOM 979 CB ASN A 508 11.473 -2.790 -12.500 1.00 0.00 C ATOM 980 CG ASN A 508 12.217 -1.717 -13.271 1.00 0.00 C ATOM 981 OD1 ASN A 508 12.653 -1.938 -14.401 1.00 0.00 O ATOM 982 ND2 ASN A 508 12.365 -0.546 -12.663 1.00 0.00 N ATOM 0 H ASN A 508 11.585 -5.928 -12.486 1.00 0.00 H new ATOM 0 HA ASN A 508 12.932 -4.261 -13.076 1.00 0.00 H new ATOM 0 HB2 ASN A 508 10.607 -3.114 -13.077 1.00 0.00 H new ATOM 0 HB3 ASN A 508 11.096 -2.369 -11.568 1.00 0.00 H new ATOM 0 HD21 ASN A 508 12.856 0.214 -13.133 1.00 0.00 H new ATOM 0 HD22 ASN A 508 11.987 -0.407 -11.726 1.00 0.00 H new ATOM 989 N ASP A 509 13.935 -4.689 -10.481 1.00 0.00 N ATOM 990 CA ASP A 509 14.888 -4.501 -9.393 1.00 0.00 C ATOM 991 C ASP A 509 14.227 -3.810 -8.205 1.00 0.00 C ATOM 992 O ASP A 509 14.848 -2.996 -7.522 1.00 0.00 O ATOM 993 CB ASP A 509 16.086 -3.679 -9.874 1.00 0.00 C ATOM 994 CG ASP A 509 16.892 -4.397 -10.939 1.00 0.00 C ATOM 995 OD1 ASP A 509 16.734 -5.629 -11.073 1.00 0.00 O ATOM 996 OD2 ASP A 509 17.682 -3.728 -11.638 1.00 0.00 O ATOM 0 H ASP A 509 13.782 -5.663 -10.744 1.00 0.00 H new ATOM 0 HA ASP A 509 15.235 -5.483 -9.072 1.00 0.00 H new ATOM 0 HB2 ASP A 509 15.734 -2.726 -10.270 1.00 0.00 H new ATOM 0 HB3 ASP A 509 16.731 -3.452 -9.025 1.00 0.00 H new ATOM 1001 N LYS A 510 12.963 -4.143 -7.964 1.00 0.00 N ATOM 1002 CA LYS A 510 12.215 -3.557 -6.857 1.00 0.00 C ATOM 1003 C LYS A 510 11.205 -4.553 -6.297 1.00 0.00 C ATOM 1004 O LYS A 510 10.779 -5.477 -6.990 1.00 0.00 O ATOM 1005 CB LYS A 510 11.496 -2.287 -7.316 1.00 0.00 C ATOM 1006 CG LYS A 510 12.426 -1.240 -7.907 1.00 0.00 C ATOM 1007 CD LYS A 510 13.394 -0.701 -6.865 1.00 0.00 C ATOM 1008 CE LYS A 510 13.005 0.698 -6.413 1.00 0.00 C ATOM 1009 NZ LYS A 510 12.148 0.670 -5.195 1.00 0.00 N ATOM 0 H LYS A 510 12.435 -4.816 -8.520 1.00 0.00 H new ATOM 0 HA LYS A 510 12.922 -3.301 -6.068 1.00 0.00 H new ATOM 0 HB2 LYS A 510 10.744 -2.554 -8.059 1.00 0.00 H new ATOM 0 HB3 LYS A 510 10.966 -1.853 -6.468 1.00 0.00 H new ATOM 0 HG2 LYS A 510 12.986 -1.675 -8.735 1.00 0.00 H new ATOM 0 HG3 LYS A 510 11.837 -0.419 -8.317 1.00 0.00 H new ATOM 0 HD2 LYS A 510 13.414 -1.370 -6.005 1.00 0.00 H new ATOM 0 HD3 LYS A 510 14.402 -0.684 -7.278 1.00 0.00 H new ATOM 0 HE2 LYS A 510 13.906 1.277 -6.210 1.00 0.00 H new ATOM 0 HE3 LYS A 510 12.474 1.205 -7.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 11.905 1.643 -4.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 11.277 0.139 -5.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 12.663 0.209 -4.418 1.00 0.00 H new ATOM 1023 N MET A 511 10.825 -4.359 -5.038 1.00 0.00 N ATOM 1024 CA MET A 511 9.864 -5.241 -4.385 1.00 0.00 C ATOM 1025 C MET A 511 8.435 -4.776 -4.647 1.00 0.00 C ATOM 1026 O MET A 511 8.112 -3.601 -4.474 1.00 0.00 O ATOM 1027 CB MET A 511 10.129 -5.293 -2.879 1.00 0.00 C ATOM 1028 CG MET A 511 9.926 -3.960 -2.179 1.00 0.00 C ATOM 1029 SD MET A 511 10.542 -3.966 -0.484 1.00 0.00 S ATOM 1030 CE MET A 511 9.513 -5.237 0.246 1.00 0.00 C ATOM 0 H MET A 511 11.168 -3.599 -4.450 1.00 0.00 H new ATOM 0 HA MET A 511 9.984 -6.241 -4.802 1.00 0.00 H new ATOM 0 HB2 MET A 511 9.470 -6.035 -2.428 1.00 0.00 H new ATOM 0 HB3 MET A 511 11.152 -5.631 -2.710 1.00 0.00 H new ATOM 0 HG2 MET A 511 10.433 -3.177 -2.743 1.00 0.00 H new ATOM 0 HG3 MET A 511 8.864 -3.714 -2.175 1.00 0.00 H new ATOM 0 HE1 MET A 511 9.407 -5.050 1.315 1.00 0.00 H new ATOM 0 HE2 MET A 511 8.529 -5.223 -0.224 1.00 0.00 H new ATOM 0 HE3 MET A 511 9.975 -6.212 0.092 1.00 0.00 H new ATOM 1040 N HIS A 512 7.583 -5.707 -5.065 1.00 0.00 N ATOM 1041 CA HIS A 512 6.188 -5.393 -5.351 1.00 0.00 C ATOM 1042 C HIS A 512 5.255 -6.373 -4.645 1.00 0.00 C ATOM 1043 O HIS A 512 5.677 -7.445 -4.212 1.00 0.00 O ATOM 1044 CB HIS A 512 5.935 -5.426 -6.859 1.00 0.00 C ATOM 1045 CG HIS A 512 6.476 -4.231 -7.582 1.00 0.00 C ATOM 1046 ND1 HIS A 512 7.809 -4.086 -7.904 1.00 0.00 N ATOM 1047 CD2 HIS A 512 5.856 -3.121 -8.048 1.00 0.00 C ATOM 1048 CE1 HIS A 512 7.985 -2.938 -8.535 1.00 0.00 C ATOM 1049 NE2 HIS A 512 6.816 -2.335 -8.636 1.00 0.00 N ATOM 0 H HIS A 512 7.834 -6.684 -5.213 1.00 0.00 H new ATOM 0 HA HIS A 512 5.983 -4.390 -4.977 1.00 0.00 H new ATOM 0 HB2 HIS A 512 6.385 -6.327 -7.275 1.00 0.00 H new ATOM 0 HB3 HIS A 512 4.862 -5.494 -7.038 1.00 0.00 H new ATOM 0 HD2 HIS A 512 4.803 -2.896 -7.971 1.00 0.00 H new ATOM 0 HE1 HIS A 512 8.926 -2.558 -8.905 1.00 0.00 H new ATOM 0 HE2 HIS A 512 6.652 -1.431 -9.079 1.00 0.00 H new ATOM 1058 N PHE A 513 3.984 -5.997 -4.534 1.00 0.00 N ATOM 1059 CA PHE A 513 2.992 -6.844 -3.881 1.00 0.00 C ATOM 1060 C PHE A 513 2.051 -7.468 -4.905 1.00 0.00 C ATOM 1061 O PHE A 513 1.521 -6.779 -5.776 1.00 0.00 O ATOM 1062 CB PHE A 513 2.190 -6.033 -2.862 1.00 0.00 C ATOM 1063 CG PHE A 513 3.010 -5.546 -1.702 1.00 0.00 C ATOM 1064 CD1 PHE A 513 3.169 -6.330 -0.571 1.00 0.00 C ATOM 1065 CD2 PHE A 513 3.621 -4.304 -1.743 1.00 0.00 C ATOM 1066 CE1 PHE A 513 3.923 -5.885 0.498 1.00 0.00 C ATOM 1067 CE2 PHE A 513 4.376 -3.852 -0.677 1.00 0.00 C ATOM 1068 CZ PHE A 513 4.527 -4.644 0.445 1.00 0.00 C ATOM 0 H PHE A 513 3.618 -5.113 -4.887 1.00 0.00 H new ATOM 0 HA PHE A 513 3.519 -7.645 -3.363 1.00 0.00 H new ATOM 0 HB2 PHE A 513 1.741 -5.176 -3.364 1.00 0.00 H new ATOM 0 HB3 PHE A 513 1.371 -6.646 -2.485 1.00 0.00 H new ATOM 0 HD1 PHE A 513 2.698 -7.301 -0.524 1.00 0.00 H new ATOM 0 HD2 PHE A 513 3.506 -3.681 -2.618 1.00 0.00 H new ATOM 0 HE1 PHE A 513 4.040 -6.507 1.373 1.00 0.00 H new ATOM 0 HE2 PHE A 513 4.847 -2.881 -0.721 1.00 0.00 H new ATOM 0 HZ PHE A 513 5.116 -4.293 1.279 1.00 0.00 H new ATOM 1078 N SER A 514 1.846 -8.777 -4.793 1.00 0.00 N ATOM 1079 CA SER A 514 0.967 -9.493 -5.709 1.00 0.00 C ATOM 1080 C SER A 514 0.025 -10.419 -4.947 1.00 0.00 C ATOM 1081 O SER A 514 0.384 -10.965 -3.904 1.00 0.00 O ATOM 1082 CB SER A 514 1.792 -10.300 -6.714 1.00 0.00 C ATOM 1083 OG SER A 514 2.498 -11.347 -6.071 1.00 0.00 O ATOM 0 H SER A 514 2.277 -9.362 -4.077 1.00 0.00 H new ATOM 0 HA SER A 514 0.368 -8.758 -6.247 1.00 0.00 H new ATOM 0 HB2 SER A 514 1.135 -10.716 -7.478 1.00 0.00 H new ATOM 0 HB3 SER A 514 2.496 -9.642 -7.223 1.00 0.00 H new ATOM 0 HG SER A 514 2.163 -11.454 -5.156 1.00 0.00 H new ATOM 1089 N LEU A 515 -1.182 -10.591 -5.475 1.00 0.00 N ATOM 1090 CA LEU A 515 -2.177 -11.451 -4.845 1.00 0.00 C ATOM 1091 C LEU A 515 -2.821 -12.382 -5.867 1.00 0.00 C ATOM 1092 O LEU A 515 -3.168 -11.962 -6.971 1.00 0.00 O ATOM 1093 CB LEU A 515 -3.253 -10.606 -4.160 1.00 0.00 C ATOM 1094 CG LEU A 515 -2.889 -10.105 -2.762 1.00 0.00 C ATOM 1095 CD1 LEU A 515 -3.849 -9.010 -2.322 1.00 0.00 C ATOM 1096 CD2 LEU A 515 -2.898 -11.255 -1.766 1.00 0.00 C ATOM 0 H LEU A 515 -1.495 -10.146 -6.338 1.00 0.00 H new ATOM 0 HA LEU A 515 -1.670 -12.059 -4.096 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -3.475 -9.746 -4.792 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -4.167 -11.195 -4.092 1.00 0.00 H new ATOM 0 HG LEU A 515 -1.883 -9.687 -2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -3.575 -8.665 -1.325 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -3.795 -8.176 -3.022 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -4.865 -9.403 -2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -2.637 -10.881 -0.776 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -3.892 -11.701 -1.735 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -2.172 -12.008 -2.073 1.00 0.00 H new ATOM 1108 N LYS A 516 -2.980 -13.646 -5.491 1.00 0.00 N ATOM 1109 CA LYS A 516 -3.585 -14.636 -6.374 1.00 0.00 C ATOM 1110 C LYS A 516 -4.738 -15.351 -5.678 1.00 0.00 C ATOM 1111 O LYS A 516 -4.532 -16.327 -4.956 1.00 0.00 O ATOM 1112 CB LYS A 516 -2.538 -15.655 -6.828 1.00 0.00 C ATOM 1113 CG LYS A 516 -1.319 -15.025 -7.483 1.00 0.00 C ATOM 1114 CD LYS A 516 -1.689 -14.303 -8.768 1.00 0.00 C ATOM 1115 CE LYS A 516 -0.452 -13.836 -9.520 1.00 0.00 C ATOM 1116 NZ LYS A 516 -0.071 -14.783 -10.604 1.00 0.00 N ATOM 0 H LYS A 516 -2.698 -14.009 -4.580 1.00 0.00 H new ATOM 0 HA LYS A 516 -3.977 -14.115 -7.248 1.00 0.00 H new ATOM 0 HB2 LYS A 516 -2.216 -16.240 -5.967 1.00 0.00 H new ATOM 0 HB3 LYS A 516 -2.999 -16.349 -7.530 1.00 0.00 H new ATOM 0 HG2 LYS A 516 -0.854 -14.323 -6.791 1.00 0.00 H new ATOM 0 HG3 LYS A 516 -0.580 -15.797 -7.698 1.00 0.00 H new ATOM 0 HD2 LYS A 516 -2.274 -14.967 -9.404 1.00 0.00 H new ATOM 0 HD3 LYS A 516 -2.321 -13.445 -8.536 1.00 0.00 H new ATOM 0 HE2 LYS A 516 -0.637 -12.851 -9.947 1.00 0.00 H new ATOM 0 HE3 LYS A 516 0.379 -13.730 -8.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 0.776 -14.429 -11.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 0.131 -15.717 -10.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 -0.854 -14.865 -11.284 1.00 0.00 H new ATOM 1130 N GLU A 517 -5.952 -14.859 -5.900 1.00 0.00 N ATOM 1131 CA GLU A 517 -7.140 -15.450 -5.294 1.00 0.00 C ATOM 1132 C GLU A 517 -7.305 -16.904 -5.727 1.00 0.00 C ATOM 1133 O GLU A 517 -7.480 -17.767 -4.841 1.00 0.00 O ATOM 1134 CB GLU A 517 -8.385 -14.648 -5.676 1.00 0.00 C ATOM 1135 CG GLU A 517 -9.650 -15.119 -4.975 1.00 0.00 C ATOM 1136 CD GLU A 517 -10.887 -14.372 -5.436 1.00 0.00 C ATOM 1137 OE1 GLU A 517 -10.766 -13.520 -6.341 1.00 0.00 O ATOM 1138 OE2 GLU A 517 -11.979 -14.640 -4.890 1.00 0.00 O ATOM 1139 OXT GLU A 517 -7.258 -17.167 -6.947 1.00 0.00 O ATOM 0 H GLU A 517 -6.139 -14.052 -6.495 1.00 0.00 H new ATOM 0 HA GLU A 517 -7.017 -15.423 -4.211 1.00 0.00 H new ATOM 0 HB2 GLU A 517 -8.217 -13.597 -5.439 1.00 0.00 H new ATOM 0 HB3 GLU A 517 -8.532 -14.712 -6.754 1.00 0.00 H new ATOM 0 HG2 GLU A 517 -9.786 -16.185 -5.157 1.00 0.00 H new ATOM 0 HG3 GLU A 517 -9.533 -14.991 -3.899 1.00 0.00 H new ATOM 1187 N GLU B 945 10.365 13.845 3.350 1.00 0.00 N ATOM 1188 CA GLU B 945 9.364 13.558 4.371 1.00 0.00 C ATOM 1189 C GLU B 945 8.219 12.732 3.793 1.00 0.00 C ATOM 1190 O GLU B 945 7.663 11.865 4.468 1.00 0.00 O ATOM 1191 CB GLU B 945 8.821 14.860 4.963 1.00 0.00 C ATOM 1192 CG GLU B 945 7.853 14.647 6.115 1.00 0.00 C ATOM 1193 CD GLU B 945 8.532 14.093 7.352 1.00 0.00 C ATOM 1194 OE1 GLU B 945 9.753 14.304 7.503 1.00 0.00 O ATOM 1195 OE2 GLU B 945 7.842 13.449 8.170 1.00 0.00 O ATOM 0 HA GLU B 945 9.843 12.980 5.161 1.00 0.00 H new ATOM 0 HB2 GLU B 945 9.657 15.468 5.309 1.00 0.00 H new ATOM 0 HB3 GLU B 945 8.319 15.425 4.178 1.00 0.00 H new ATOM 0 HG2 GLU B 945 7.374 15.594 6.362 1.00 0.00 H new ATOM 0 HG3 GLU B 945 7.065 13.963 5.801 1.00 0.00 H new ATOM 1202 N ALA B 946 7.870 13.008 2.540 1.00 0.00 N ATOM 1203 CA ALA B 946 6.791 12.291 1.873 1.00 0.00 C ATOM 1204 C ALA B 946 7.121 10.809 1.729 1.00 0.00 C ATOM 1205 O ALA B 946 6.254 9.951 1.892 1.00 0.00 O ATOM 1206 CB ALA B 946 6.513 12.906 0.509 1.00 0.00 C ATOM 0 H ALA B 946 8.319 13.723 1.967 1.00 0.00 H new ATOM 0 HA ALA B 946 5.896 12.378 2.489 1.00 0.00 H new ATOM 0 HB1 ALA B 946 5.705 12.361 0.022 1.00 0.00 H new ATOM 0 HB2 ALA B 946 6.224 13.950 0.633 1.00 0.00 H new ATOM 0 HB3 ALA B 946 7.411 12.849 -0.106 1.00 0.00 H new ATOM 1212 N ASP B 947 8.381 10.516 1.424 1.00 0.00 N ATOM 1213 CA ASP B 947 8.826 9.137 1.259 1.00 0.00 C ATOM 1214 C ASP B 947 8.623 8.342 2.545 1.00 0.00 C ATOM 1215 O ASP B 947 8.209 7.183 2.512 1.00 0.00 O ATOM 1216 CB ASP B 947 10.300 9.099 0.851 1.00 0.00 C ATOM 1217 CG ASP B 947 10.538 9.708 -0.517 1.00 0.00 C ATOM 1218 OD1 ASP B 947 9.558 9.865 -1.276 1.00 0.00 O ATOM 1219 OD2 ASP B 947 11.704 10.028 -0.830 1.00 0.00 O ATOM 0 H ASP B 947 9.111 11.214 1.286 1.00 0.00 H new ATOM 0 HA ASP B 947 8.226 8.681 0.472 1.00 0.00 H new ATOM 0 HB2 ASP B 947 10.893 9.635 1.592 1.00 0.00 H new ATOM 0 HB3 ASP B 947 10.647 8.066 0.851 1.00 0.00 H new ATOM 1224 N GLU B 948 8.917 8.973 3.677 1.00 0.00 N ATOM 1225 CA GLU B 948 8.766 8.326 4.976 1.00 0.00 C ATOM 1226 C GLU B 948 7.308 7.964 5.239 1.00 0.00 C ATOM 1227 O GLU B 948 7.016 6.989 5.931 1.00 0.00 O ATOM 1228 CB GLU B 948 9.287 9.239 6.087 1.00 0.00 C ATOM 1229 CG GLU B 948 10.780 9.513 6.001 1.00 0.00 C ATOM 1230 CD GLU B 948 11.286 10.363 7.150 1.00 0.00 C ATOM 1231 OE1 GLU B 948 10.449 10.929 7.884 1.00 0.00 O ATOM 1232 OE2 GLU B 948 12.520 10.462 7.316 1.00 0.00 O ATOM 0 H GLU B 948 9.261 9.932 3.721 1.00 0.00 H new ATOM 0 HA GLU B 948 9.352 7.407 4.966 1.00 0.00 H new ATOM 0 HB2 GLU B 948 8.750 10.187 6.049 1.00 0.00 H new ATOM 0 HB3 GLU B 948 9.065 8.785 7.053 1.00 0.00 H new ATOM 0 HG2 GLU B 948 11.319 8.566 5.990 1.00 0.00 H new ATOM 0 HG3 GLU B 948 10.999 10.015 5.059 1.00 0.00 H new ATOM 1239 N MET B 949 6.396 8.757 4.684 1.00 0.00 N ATOM 1240 CA MET B 949 4.967 8.521 4.859 1.00 0.00 C ATOM 1241 C MET B 949 4.583 7.120 4.392 1.00 0.00 C ATOM 1242 O MET B 949 3.714 6.475 4.978 1.00 0.00 O ATOM 1243 CB MET B 949 4.161 9.568 4.087 1.00 0.00 C ATOM 1244 CG MET B 949 2.662 9.482 4.322 1.00 0.00 C ATOM 1245 SD MET B 949 1.747 10.754 3.428 1.00 0.00 S ATOM 1246 CE MET B 949 0.058 10.287 3.799 1.00 0.00 C ATOM 0 H MET B 949 6.622 9.569 4.109 1.00 0.00 H new ATOM 0 HA MET B 949 4.737 8.603 5.921 1.00 0.00 H new ATOM 0 HB2 MET B 949 4.508 10.562 4.371 1.00 0.00 H new ATOM 0 HB3 MET B 949 4.360 9.453 3.021 1.00 0.00 H new ATOM 0 HG2 MET B 949 2.305 8.499 4.015 1.00 0.00 H new ATOM 0 HG3 MET B 949 2.459 9.575 5.389 1.00 0.00 H new ATOM 0 HE1 MET B 949 -0.413 9.883 2.903 1.00 0.00 H new ATOM 0 HE2 MET B 949 0.054 9.531 4.584 1.00 0.00 H new ATOM 0 HE3 MET B 949 -0.496 11.163 4.136 1.00 0.00 H new ATOM 1256 N ALA B 950 5.238 6.655 3.332 1.00 0.00 N ATOM 1257 CA ALA B 950 4.967 5.330 2.786 1.00 0.00 C ATOM 1258 C ALA B 950 5.783 4.258 3.502 1.00 0.00 C ATOM 1259 O ALA B 950 5.369 3.102 3.584 1.00 0.00 O ATOM 1260 CB ALA B 950 5.257 5.307 1.293 1.00 0.00 C ATOM 0 H ALA B 950 5.960 7.176 2.835 1.00 0.00 H new ATOM 0 HA ALA B 950 3.912 5.109 2.946 1.00 0.00 H new ATOM 0 HB1 ALA B 950 5.051 4.312 0.898 1.00 0.00 H new ATOM 0 HB2 ALA B 950 4.624 6.037 0.788 1.00 0.00 H new ATOM 0 HB3 ALA B 950 6.304 5.555 1.122 1.00 0.00 H new ATOM 1266 N LYS B 951 6.946 4.648 4.016 1.00 0.00 N ATOM 1267 CA LYS B 951 7.821 3.717 4.723 1.00 0.00 C ATOM 1268 C LYS B 951 7.099 3.073 5.902 1.00 0.00 C ATOM 1269 O LYS B 951 7.312 1.899 6.206 1.00 0.00 O ATOM 1270 CB LYS B 951 9.077 4.439 5.214 1.00 0.00 C ATOM 1271 CG LYS B 951 10.001 4.886 4.093 1.00 0.00 C ATOM 1272 CD LYS B 951 11.289 5.480 4.638 1.00 0.00 C ATOM 1273 CE LYS B 951 12.184 5.990 3.520 1.00 0.00 C ATOM 1274 NZ LYS B 951 11.572 7.140 2.799 1.00 0.00 N ATOM 0 H LYS B 951 7.304 5.601 3.956 1.00 0.00 H new ATOM 0 HA LYS B 951 8.109 2.931 4.025 1.00 0.00 H new ATOM 0 HB2 LYS B 951 8.780 5.310 5.798 1.00 0.00 H new ATOM 0 HB3 LYS B 951 9.627 3.778 5.885 1.00 0.00 H new ATOM 0 HG2 LYS B 951 10.234 4.036 3.451 1.00 0.00 H new ATOM 0 HG3 LYS B 951 9.492 5.624 3.473 1.00 0.00 H new ATOM 0 HD2 LYS B 951 11.054 6.298 5.319 1.00 0.00 H new ATOM 0 HD3 LYS B 951 11.822 4.726 5.217 1.00 0.00 H new ATOM 0 HE2 LYS B 951 13.146 6.292 3.934 1.00 0.00 H new ATOM 0 HE3 LYS B 951 12.380 5.182 2.815 1.00 0.00 H new ATOM 0 HZ1 LYS B 951 12.290 7.596 2.201 1.00 0.00 H new ATOM 0 HZ2 LYS B 951 10.790 6.800 2.203 1.00 0.00 H new ATOM 0 HZ3 LYS B 951 11.208 7.828 3.489 1.00 0.00 H new ATOM 1288 N ALA B 952 6.246 3.848 6.564 1.00 0.00 N ATOM 1289 CA ALA B 952 5.495 3.351 7.711 1.00 0.00 C ATOM 1290 C ALA B 952 4.617 2.166 7.322 1.00 0.00 C ATOM 1291 O ALA B 952 4.501 1.195 8.070 1.00 0.00 O ATOM 1292 CB ALA B 952 4.649 4.464 8.308 1.00 0.00 C ATOM 0 H ALA B 952 6.058 4.822 6.326 1.00 0.00 H new ATOM 0 HA ALA B 952 6.208 3.009 8.461 1.00 0.00 H new ATOM 0 HB1 ALA B 952 4.093 4.080 9.163 1.00 0.00 H new ATOM 0 HB2 ALA B 952 5.296 5.279 8.632 1.00 0.00 H new ATOM 0 HB3 ALA B 952 3.950 4.832 7.557 1.00 0.00 H new ATOM 1298 N LEU B 953 3.999 2.254 6.149 1.00 0.00 N ATOM 1299 CA LEU B 953 3.129 1.190 5.661 1.00 0.00 C ATOM 1300 C LEU B 953 3.924 -0.083 5.386 1.00 0.00 C ATOM 1301 O LEU B 953 3.497 -1.182 5.740 1.00 0.00 O ATOM 1302 CB LEU B 953 2.407 1.637 4.390 1.00 0.00 C ATOM 1303 CG LEU B 953 1.389 0.638 3.837 1.00 0.00 C ATOM 1304 CD1 LEU B 953 0.122 0.648 4.678 1.00 0.00 C ATOM 1305 CD2 LEU B 953 1.071 0.952 2.382 1.00 0.00 C ATOM 0 H LEU B 953 4.084 3.051 5.518 1.00 0.00 H new ATOM 0 HA LEU B 953 2.392 0.976 6.435 1.00 0.00 H new ATOM 0 HB2 LEU B 953 1.896 2.578 4.593 1.00 0.00 H new ATOM 0 HB3 LEU B 953 3.151 1.838 3.619 1.00 0.00 H new ATOM 0 HG LEU B 953 1.823 -0.361 3.885 1.00 0.00 H new ATOM 0 HD11 LEU B 953 -0.591 -0.068 4.270 1.00 0.00 H new ATOM 0 HD12 LEU B 953 0.365 0.374 5.705 1.00 0.00 H new ATOM 0 HD13 LEU B 953 -0.317 1.646 4.663 1.00 0.00 H new ATOM 0 HD21 LEU B 953 0.345 0.232 2.005 1.00 0.00 H new ATOM 0 HD22 LEU B 953 0.656 1.957 2.309 1.00 0.00 H new ATOM 0 HD23 LEU B 953 1.984 0.892 1.789 1.00 0.00 H new ATOM 1317 N GLU B 954 5.080 0.073 4.750 1.00 0.00 N ATOM 1318 CA GLU B 954 5.934 -1.064 4.424 1.00 0.00 C ATOM 1319 C GLU B 954 6.510 -1.697 5.687 1.00 0.00 C ATOM 1320 O GLU B 954 6.711 -2.910 5.750 1.00 0.00 O ATOM 1321 CB GLU B 954 7.069 -0.625 3.497 1.00 0.00 C ATOM 1322 CG GLU B 954 7.945 -1.774 3.022 1.00 0.00 C ATOM 1323 CD GLU B 954 9.127 -1.305 2.194 1.00 0.00 C ATOM 1324 OE1 GLU B 954 9.272 -0.078 2.005 1.00 0.00 O ATOM 1325 OE2 GLU B 954 9.907 -2.165 1.735 1.00 0.00 O ATOM 0 H GLU B 954 5.448 0.976 4.450 1.00 0.00 H new ATOM 0 HA GLU B 954 5.323 -1.809 3.915 1.00 0.00 H new ATOM 0 HB2 GLU B 954 6.644 -0.120 2.629 1.00 0.00 H new ATOM 0 HB3 GLU B 954 7.690 0.104 4.017 1.00 0.00 H new ATOM 0 HG2 GLU B 954 8.309 -2.329 3.886 1.00 0.00 H new ATOM 0 HG3 GLU B 954 7.343 -2.464 2.431 1.00 0.00 H new ATOM 1332 N ALA B 955 6.777 -0.867 6.690 1.00 0.00 N ATOM 1333 CA ALA B 955 7.333 -1.345 7.951 1.00 0.00 C ATOM 1334 C ALA B 955 6.412 -2.367 8.609 1.00 0.00 C ATOM 1335 O ALA B 955 6.872 -3.286 9.286 1.00 0.00 O ATOM 1336 CB ALA B 955 7.586 -0.177 8.891 1.00 0.00 C ATOM 0 H ALA B 955 6.617 0.140 6.654 1.00 0.00 H new ATOM 0 HA ALA B 955 8.281 -1.838 7.736 1.00 0.00 H new ATOM 0 HB1 ALA B 955 8.001 -0.548 9.828 1.00 0.00 H new ATOM 0 HB2 ALA B 955 8.291 0.515 8.430 1.00 0.00 H new ATOM 0 HB3 ALA B 955 6.647 0.340 9.089 1.00 0.00 H new ATOM 1342 N GLU B 956 5.109 -2.198 8.410 1.00 0.00 N ATOM 1343 CA GLU B 956 4.124 -3.106 8.988 1.00 0.00 C ATOM 1344 C GLU B 956 4.160 -4.466 8.298 1.00 0.00 C ATOM 1345 O GLU B 956 4.436 -5.487 8.929 1.00 0.00 O ATOM 1346 CB GLU B 956 2.722 -2.504 8.881 1.00 0.00 C ATOM 1347 CG GLU B 956 2.543 -1.233 9.695 1.00 0.00 C ATOM 1348 CD GLU B 956 2.779 -1.451 11.177 1.00 0.00 C ATOM 1349 OE1 GLU B 956 2.747 -2.620 11.618 1.00 0.00 O ATOM 1350 OE2 GLU B 956 2.996 -0.454 11.897 1.00 0.00 O ATOM 0 H GLU B 956 4.711 -1.442 7.854 1.00 0.00 H new ATOM 0 HA GLU B 956 4.373 -3.248 10.039 1.00 0.00 H new ATOM 0 HB2 GLU B 956 2.507 -2.289 7.834 1.00 0.00 H new ATOM 0 HB3 GLU B 956 1.992 -3.243 9.211 1.00 0.00 H new ATOM 0 HG2 GLU B 956 3.232 -0.472 9.329 1.00 0.00 H new ATOM 0 HG3 GLU B 956 1.534 -0.849 9.544 1.00 0.00 H new ATOM 1357 N LEU B 957 3.880 -4.473 6.999 1.00 0.00 N ATOM 1358 CA LEU B 957 3.879 -5.708 6.222 1.00 0.00 C ATOM 1359 C LEU B 957 5.251 -6.378 6.242 1.00 0.00 C ATOM 1360 O LEU B 957 5.372 -7.571 5.966 1.00 0.00 O ATOM 1361 CB LEU B 957 3.455 -5.428 4.780 1.00 0.00 C ATOM 1362 CG LEU B 957 1.947 -5.280 4.566 1.00 0.00 C ATOM 1363 CD1 LEU B 957 1.661 -4.626 3.224 1.00 0.00 C ATOM 1364 CD2 LEU B 957 1.261 -6.636 4.657 1.00 0.00 C ATOM 0 H LEU B 957 3.651 -3.637 6.462 1.00 0.00 H new ATOM 0 HA LEU B 957 3.162 -6.389 6.680 1.00 0.00 H new ATOM 0 HB2 LEU B 957 3.946 -4.515 4.444 1.00 0.00 H new ATOM 0 HB3 LEU B 957 3.819 -6.237 4.147 1.00 0.00 H new ATOM 0 HG LEU B 957 1.548 -4.639 5.352 1.00 0.00 H new ATOM 0 HD11 LEU B 957 0.584 -4.529 3.089 1.00 0.00 H new ATOM 0 HD12 LEU B 957 2.121 -3.638 3.195 1.00 0.00 H new ATOM 0 HD13 LEU B 957 2.073 -5.241 2.424 1.00 0.00 H new ATOM 0 HD21 LEU B 957 0.189 -6.513 4.503 1.00 0.00 H new ATOM 0 HD22 LEU B 957 1.664 -7.300 3.892 1.00 0.00 H new ATOM 0 HD23 LEU B 957 1.438 -7.068 5.642 1.00 0.00 H new ATOM 1376 N ASN B 958 6.285 -5.607 6.570 1.00 0.00 N ATOM 1377 CA ASN B 958 7.644 -6.135 6.623 1.00 0.00 C ATOM 1378 C ASN B 958 7.729 -7.341 7.556 1.00 0.00 C ATOM 1379 O ASN B 958 8.576 -8.217 7.379 1.00 0.00 O ATOM 1380 CB ASN B 958 8.617 -5.050 7.086 1.00 0.00 C ATOM 1381 CG ASN B 958 10.065 -5.434 6.852 1.00 0.00 C ATOM 1382 OD1 ASN B 958 10.490 -5.632 5.714 1.00 0.00 O ATOM 1383 ND2 ASN B 958 10.830 -5.541 7.932 1.00 0.00 N ATOM 0 H ASN B 958 6.207 -4.617 6.802 1.00 0.00 H new ATOM 0 HA ASN B 958 7.918 -6.458 5.619 1.00 0.00 H new ATOM 0 HB2 ASN B 958 8.400 -4.122 6.557 1.00 0.00 H new ATOM 0 HB3 ASN B 958 8.462 -4.856 8.147 1.00 0.00 H new ATOM 0 HD21 ASN B 958 11.813 -5.797 7.837 1.00 0.00 H new ATOM 0 HD22 ASN B 958 10.435 -5.368 8.856 1.00 0.00 H new ATOM 1390 N ASP B 959 6.847 -7.380 8.551 1.00 0.00 N ATOM 1391 CA ASP B 959 6.826 -8.477 9.512 1.00 0.00 C ATOM 1392 C ASP B 959 6.386 -9.780 8.850 1.00 0.00 C ATOM 1393 O ASP B 959 7.150 -10.743 8.786 1.00 0.00 O ATOM 1394 CB ASP B 959 5.891 -8.144 10.677 1.00 0.00 C ATOM 1395 CG ASP B 959 5.984 -9.155 11.803 1.00 0.00 C ATOM 1396 OD1 ASP B 959 6.943 -9.956 11.805 1.00 0.00 O ATOM 1397 OD2 ASP B 959 5.098 -9.147 12.683 1.00 0.00 O ATOM 0 H ASP B 959 6.138 -6.665 8.712 1.00 0.00 H new ATOM 0 HA ASP B 959 7.839 -8.610 9.891 1.00 0.00 H new ATOM 0 HB2 ASP B 959 6.133 -7.153 11.062 1.00 0.00 H new ATOM 0 HB3 ASP B 959 4.864 -8.103 10.314 1.00 0.00 H new ATOM 1402 N LEU B 960 5.149 -9.805 8.361 1.00 0.00 N ATOM 1403 CA LEU B 960 4.608 -10.992 7.706 1.00 0.00 C ATOM 1404 C LEU B 960 5.486 -11.422 6.534 1.00 0.00 C ATOM 1405 O LEU B 960 5.529 -12.599 6.178 1.00 0.00 O ATOM 1406 CB LEU B 960 3.180 -10.732 7.221 1.00 0.00 C ATOM 1407 CG LEU B 960 3.007 -9.483 6.355 1.00 0.00 C ATOM 1408 CD1 LEU B 960 3.407 -9.770 4.916 1.00 0.00 C ATOM 1409 CD2 LEU B 960 1.572 -8.977 6.424 1.00 0.00 C ATOM 0 H LEU B 960 4.503 -9.017 8.406 1.00 0.00 H new ATOM 0 HA LEU B 960 4.593 -11.799 8.438 1.00 0.00 H new ATOM 0 HB2 LEU B 960 2.842 -11.599 6.653 1.00 0.00 H new ATOM 0 HB3 LEU B 960 2.528 -10.646 8.090 1.00 0.00 H new ATOM 0 HG LEU B 960 3.663 -8.703 6.743 1.00 0.00 H new ATOM 0 HD11 LEU B 960 3.277 -8.870 4.316 1.00 0.00 H new ATOM 0 HD12 LEU B 960 4.451 -10.080 4.884 1.00 0.00 H new ATOM 0 HD13 LEU B 960 2.780 -10.566 4.516 1.00 0.00 H new ATOM 0 HD21 LEU B 960 1.469 -8.088 5.801 1.00 0.00 H new ATOM 0 HD22 LEU B 960 0.895 -9.752 6.064 1.00 0.00 H new ATOM 0 HD23 LEU B 960 1.323 -8.728 7.456 1.00 0.00 H new ATOM 1421 N MET B 961 6.186 -10.461 5.937 1.00 0.00 N ATOM 1422 CA MET B 961 7.063 -10.743 4.806 1.00 0.00 C ATOM 1423 C MET B 961 8.095 -11.807 5.166 1.00 0.00 C ATOM 1424 O MET B 961 8.720 -12.363 4.238 1.00 0.00 O ATOM 1425 CB MET B 961 7.771 -9.465 4.351 1.00 0.00 C ATOM 1426 CG MET B 961 6.933 -8.601 3.423 1.00 0.00 C ATOM 1427 SD MET B 961 7.825 -7.151 2.831 1.00 0.00 S ATOM 1428 CE MET B 961 6.546 -6.332 1.882 1.00 0.00 C ATOM 1429 OXT MET B 961 8.270 -12.076 6.373 1.00 0.00 O ATOM 0 H MET B 961 6.163 -9.481 6.218 1.00 0.00 H new ATOM 0 HA MET B 961 6.448 -11.121 3.990 1.00 0.00 H new ATOM 0 HB2 MET B 961 8.046 -8.880 5.229 1.00 0.00 H new ATOM 0 HB3 MET B 961 8.698 -9.734 3.844 1.00 0.00 H new ATOM 0 HG2 MET B 961 6.610 -9.198 2.570 1.00 0.00 H new ATOM 0 HG3 MET B 961 6.032 -8.280 3.946 1.00 0.00 H new ATOM 0 HE1 MET B 961 6.934 -5.396 1.479 1.00 0.00 H new ATOM 0 HE2 MET B 961 6.232 -6.977 1.062 1.00 0.00 H new ATOM 0 HE3 MET B 961 5.692 -6.123 2.527 1.00 0.00 H new