USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=20 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 486 SER OG : rot 39:sc= -0.441 USER MOD Set 1.2: B 949 MET CE :methyl -135:sc= -5.38 (180deg=-2.13) USER MOD Single : A 453 GLN : amide:sc= -4.56! C(o=-4.6!,f=-15!) 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 45:sc= -1.38 USER MOD Single : A 466 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 468 MET CE :methyl 180:sc= -2.6! (180deg=-2.6!) USER MOD Single : A 469 THR OG1 : rot 180:sc= 0.0226 USER MOD Single : A 470 THR OG1 : rot -100:sc= -1.92 USER MOD Single : A 471 LYS NZ :NH3+ -170:sc=-0.00536 (180deg=-0.096) USER MOD Single : A 475 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 476 LYS NZ :NH3+ 152:sc= 0.0217 (180deg=0) USER MOD Single : A 478 GLN :FLIP amide:sc= 0 F(o=-1.8!,f=0) USER MOD Single : A 479 THR OG1 : rot 180:sc= 0 USER MOD Single : A 480 LYS NZ :NH3+ 178:sc= 0.177 (180deg=0.176) USER MOD Single : A 481 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 482 THR OG1 : rot 180:sc= 0 USER MOD Single : A 485 SER OG : rot 180:sc= 0 USER MOD Single : A 488 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.12) USER MOD Single : A 489 THR OG1 : rot 70:sc= 0.625 USER MOD Single : A 491 ASN : amide:sc= -0.086 K(o=-0.086,f=-1.2) USER MOD Single : A 495 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 498 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 501 ASN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 505 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 506 MET CE :methyl -165:sc= -0.039 (180deg=-0.352) USER MOD Single : A 508 ASN :FLIP amide:sc= -0.143 F(o=-2.6!,f=-0.14) USER MOD Single : A 510 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00208) USER MOD Single : A 511 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 512 HIS : no HD1:sc= -2.42 X(o=-2.4,f=-2.5!) USER MOD Single : A 514 SER OG : rot 140:sc= -1.07 USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 951 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 958 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 961 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 29 N GLN A 453 -13.793 6.247 0.966 1.00 0.00 N ATOM 30 CA GLN A 453 -13.550 5.378 2.111 1.00 0.00 C ATOM 31 C GLN A 453 -12.580 4.258 1.748 1.00 0.00 C ATOM 32 O GLN A 453 -12.878 3.416 0.900 1.00 0.00 O ATOM 33 CB GLN A 453 -14.866 4.784 2.616 1.00 0.00 C ATOM 34 CG GLN A 453 -14.809 4.320 4.063 1.00 0.00 C ATOM 35 CD GLN A 453 -14.579 2.826 4.187 1.00 0.00 C ATOM 36 OE1 GLN A 453 -13.615 2.287 3.644 1.00 0.00 O ATOM 37 NE2 GLN A 453 -15.467 2.149 4.906 1.00 0.00 N ATOM 0 HA GLN A 453 -13.103 5.979 2.903 1.00 0.00 H new ATOM 0 HB2 GLN A 453 -15.655 5.529 2.513 1.00 0.00 H new ATOM 0 HB3 GLN A 453 -15.141 3.940 1.983 1.00 0.00 H new ATOM 0 HG2 GLN A 453 -14.010 4.851 4.580 1.00 0.00 H new ATOM 0 HG3 GLN A 453 -15.742 4.583 4.562 1.00 0.00 H new ATOM 0 HE21 GLN A 453 -16.251 2.637 5.339 1.00 0.00 H new ATOM 0 HE22 GLN A 453 -15.365 1.141 5.026 1.00 0.00 H new ATOM 46 N VAL A 454 -11.418 4.255 2.393 1.00 0.00 N ATOM 47 CA VAL A 454 -10.405 3.244 2.139 1.00 0.00 C ATOM 48 C VAL A 454 -10.856 1.874 2.635 1.00 0.00 C ATOM 49 O VAL A 454 -11.195 1.707 3.807 1.00 0.00 O ATOM 50 CB VAL A 454 -9.073 3.610 2.816 1.00 0.00 C ATOM 51 CG1 VAL A 454 -8.358 4.702 2.036 1.00 0.00 C ATOM 52 CG2 VAL A 454 -9.302 4.038 4.259 1.00 0.00 C ATOM 0 H VAL A 454 -11.157 4.945 3.097 1.00 0.00 H new ATOM 0 HA VAL A 454 -10.259 3.204 1.060 1.00 0.00 H new ATOM 0 HB VAL A 454 -8.438 2.724 2.822 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -7.418 4.947 2.531 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -8.155 4.353 1.024 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -8.988 5.591 1.993 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -8.347 4.292 4.719 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -9.958 4.908 4.281 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -9.765 3.221 4.812 1.00 0.00 H new ATOM 62 N THR A 455 -10.857 0.896 1.735 1.00 0.00 N ATOM 63 CA THR A 455 -11.266 -0.461 2.081 1.00 0.00 C ATOM 64 C THR A 455 -10.246 -1.480 1.581 1.00 0.00 C ATOM 65 O THR A 455 -9.542 -1.237 0.600 1.00 0.00 O ATOM 66 CB THR A 455 -12.642 -0.768 1.489 1.00 0.00 C ATOM 67 OG1 THR A 455 -12.684 -0.429 0.114 1.00 0.00 O ATOM 68 CG2 THR A 455 -13.769 -0.028 2.178 1.00 0.00 C ATOM 0 H THR A 455 -10.579 1.017 0.761 1.00 0.00 H new ATOM 0 HA THR A 455 -11.322 -0.531 3.167 1.00 0.00 H new ATOM 0 HB THR A 455 -12.787 -1.838 1.637 1.00 0.00 H new ATOM 0 HG1 THR A 455 -13.572 -0.634 -0.247 1.00 0.00 H new ATOM 0 HG21 THR A 455 -14.717 -0.291 1.709 1.00 0.00 H new ATOM 0 HG22 THR A 455 -13.796 -0.306 3.232 1.00 0.00 H new ATOM 0 HG23 THR A 455 -13.606 1.046 2.090 1.00 0.00 H new ATOM 76 N GLU A 456 -10.171 -2.618 2.262 1.00 0.00 N ATOM 77 CA GLU A 456 -9.236 -3.673 1.886 1.00 0.00 C ATOM 78 C GLU A 456 -9.600 -4.265 0.528 1.00 0.00 C ATOM 79 O GLU A 456 -8.725 -4.558 -0.287 1.00 0.00 O ATOM 80 CB GLU A 456 -9.224 -4.774 2.948 1.00 0.00 C ATOM 81 CG GLU A 456 -8.199 -5.865 2.681 1.00 0.00 C ATOM 82 CD GLU A 456 -8.290 -7.006 3.674 1.00 0.00 C ATOM 83 OE1 GLU A 456 -8.027 -6.774 4.873 1.00 0.00 O ATOM 84 OE2 GLU A 456 -8.626 -8.134 3.253 1.00 0.00 O ATOM 0 H GLU A 456 -10.746 -2.834 3.077 1.00 0.00 H new ATOM 0 HA GLU A 456 -8.241 -3.234 1.816 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -9.021 -4.327 3.921 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -10.215 -5.224 3.004 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -8.342 -6.254 1.673 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -7.198 -5.435 2.718 1.00 0.00 H new ATOM 91 N ASP A 457 -10.896 -4.440 0.292 1.00 0.00 N ATOM 92 CA ASP A 457 -11.375 -4.998 -0.967 1.00 0.00 C ATOM 93 C ASP A 457 -10.945 -4.133 -2.148 1.00 0.00 C ATOM 94 O ASP A 457 -10.528 -4.646 -3.187 1.00 0.00 O ATOM 95 CB ASP A 457 -12.899 -5.127 -0.944 1.00 0.00 C ATOM 96 CG ASP A 457 -13.434 -5.896 -2.137 1.00 0.00 C ATOM 97 OD1 ASP A 457 -12.629 -6.554 -2.830 1.00 0.00 O ATOM 98 OD2 ASP A 457 -14.659 -5.840 -2.379 1.00 0.00 O ATOM 0 H ASP A 457 -11.633 -4.203 0.956 1.00 0.00 H new ATOM 0 HA ASP A 457 -10.934 -5.987 -1.086 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -13.204 -5.629 -0.026 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -13.345 -4.132 -0.927 1.00 0.00 H new ATOM 103 N ALA A 458 -11.051 -2.818 -1.982 1.00 0.00 N ATOM 104 CA ALA A 458 -10.674 -1.884 -3.035 1.00 0.00 C ATOM 105 C ALA A 458 -9.167 -1.896 -3.268 1.00 0.00 C ATOM 106 O ALA A 458 -8.706 -1.889 -4.409 1.00 0.00 O ATOM 107 CB ALA A 458 -11.144 -0.479 -2.686 1.00 0.00 C ATOM 0 H ALA A 458 -11.395 -2.377 -1.129 1.00 0.00 H new ATOM 0 HA ALA A 458 -11.160 -2.201 -3.958 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -10.856 0.209 -3.481 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -12.229 -0.475 -2.578 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -10.684 -0.164 -1.749 1.00 0.00 H new ATOM 113 N VAL A 459 -8.405 -1.914 -2.180 1.00 0.00 N ATOM 114 CA VAL A 459 -6.949 -1.928 -2.267 1.00 0.00 C ATOM 115 C VAL A 459 -6.455 -3.175 -2.991 1.00 0.00 C ATOM 116 O VAL A 459 -5.623 -3.092 -3.895 1.00 0.00 O ATOM 117 CB VAL A 459 -6.302 -1.866 -0.869 1.00 0.00 C ATOM 118 CG1 VAL A 459 -4.790 -1.756 -0.983 1.00 0.00 C ATOM 119 CG2 VAL A 459 -6.871 -0.705 -0.068 1.00 0.00 C ATOM 0 H VAL A 459 -8.771 -1.919 -1.228 1.00 0.00 H new ATOM 0 HA VAL A 459 -6.656 -1.044 -2.833 1.00 0.00 H new ATOM 0 HB VAL A 459 -6.535 -2.790 -0.340 1.00 0.00 H new ATOM 0 HG11 VAL A 459 -4.352 -1.713 0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 459 -4.401 -2.625 -1.513 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -4.531 -0.850 -1.532 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -6.402 -0.677 0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -6.672 0.230 -0.591 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -7.947 -0.835 0.046 1.00 0.00 H new ATOM 129 N ARG A 460 -6.973 -4.331 -2.590 1.00 0.00 N ATOM 130 CA ARG A 460 -6.584 -5.596 -3.202 1.00 0.00 C ATOM 131 C ARG A 460 -6.938 -5.615 -4.685 1.00 0.00 C ATOM 132 O ARG A 460 -6.241 -6.230 -5.492 1.00 0.00 O ATOM 133 CB ARG A 460 -7.268 -6.763 -2.488 1.00 0.00 C ATOM 134 CG ARG A 460 -6.822 -6.942 -1.046 1.00 0.00 C ATOM 135 CD ARG A 460 -7.510 -8.128 -0.390 1.00 0.00 C ATOM 136 NE ARG A 460 -7.112 -9.397 -0.996 1.00 0.00 N ATOM 137 CZ ARG A 460 -7.713 -9.937 -2.055 1.00 0.00 C ATOM 138 NH1 ARG A 460 -8.740 -9.326 -2.633 1.00 0.00 N ATOM 139 NH2 ARG A 460 -7.283 -11.095 -2.538 1.00 0.00 N ATOM 0 H ARG A 460 -7.663 -4.418 -1.844 1.00 0.00 H new ATOM 0 HA ARG A 460 -5.504 -5.701 -3.104 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -8.347 -6.608 -2.509 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -7.067 -7.682 -3.038 1.00 0.00 H new ATOM 0 HG2 ARG A 460 -5.742 -7.084 -1.014 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -7.041 -6.036 -0.482 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -7.270 -8.143 0.673 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -8.591 -8.011 -0.472 1.00 0.00 H new ATOM 0 HE ARG A 460 -6.326 -9.900 -0.583 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -9.075 -8.435 -2.267 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -9.194 -9.747 -3.444 1.00 0.00 H new ATOM 0 HH21 ARG A 460 -6.494 -11.569 -2.099 1.00 0.00 H new ATOM 0 HH22 ARG A 460 -7.741 -11.511 -3.349 1.00 0.00 H new ATOM 153 N ARG A 461 -8.026 -4.938 -5.037 1.00 0.00 N ATOM 154 CA ARG A 461 -8.475 -4.877 -6.423 1.00 0.00 C ATOM 155 C ARG A 461 -7.390 -4.296 -7.325 1.00 0.00 C ATOM 156 O ARG A 461 -7.190 -4.756 -8.450 1.00 0.00 O ATOM 157 CB ARG A 461 -9.748 -4.037 -6.533 1.00 0.00 C ATOM 158 CG ARG A 461 -10.343 -4.013 -7.930 1.00 0.00 C ATOM 159 CD ARG A 461 -11.642 -3.224 -7.970 1.00 0.00 C ATOM 160 NE ARG A 461 -11.420 -1.794 -7.771 1.00 0.00 N ATOM 161 CZ ARG A 461 -10.988 -0.972 -8.724 1.00 0.00 C ATOM 162 NH1 ARG A 461 -10.729 -1.432 -9.941 1.00 0.00 N ATOM 163 NH2 ARG A 461 -10.813 0.316 -8.458 1.00 0.00 N ATOM 0 H ARG A 461 -8.614 -4.423 -4.381 1.00 0.00 H new ATOM 0 HA ARG A 461 -8.688 -5.894 -6.752 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -10.491 -4.427 -5.837 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -9.527 -3.015 -6.224 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -9.627 -3.572 -8.624 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -10.526 -5.034 -8.266 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -12.134 -3.384 -8.929 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -12.317 -3.597 -7.199 1.00 0.00 H new ATOM 0 HE ARG A 461 -11.607 -1.403 -6.848 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -10.861 -2.421 -10.151 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -10.398 -0.796 -10.667 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -11.010 0.675 -7.524 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -10.482 0.947 -9.188 1.00 0.00 H new ATOM 177 N TYR A 462 -6.692 -3.281 -6.826 1.00 0.00 N ATOM 178 CA TYR A 462 -5.629 -2.636 -7.589 1.00 0.00 C ATOM 179 C TYR A 462 -4.418 -3.555 -7.723 1.00 0.00 C ATOM 180 O TYR A 462 -3.837 -3.677 -8.801 1.00 0.00 O ATOM 181 CB TYR A 462 -5.216 -1.324 -6.918 1.00 0.00 C ATOM 182 CG TYR A 462 -6.333 -0.308 -6.839 1.00 0.00 C ATOM 183 CD1 TYR A 462 -6.692 0.445 -7.950 1.00 0.00 C ATOM 184 CD2 TYR A 462 -7.026 -0.100 -5.653 1.00 0.00 C ATOM 185 CE1 TYR A 462 -7.712 1.376 -7.880 1.00 0.00 C ATOM 186 CE2 TYR A 462 -8.048 0.827 -5.576 1.00 0.00 C ATOM 187 CZ TYR A 462 -8.386 1.563 -6.693 1.00 0.00 C ATOM 188 OH TYR A 462 -9.402 2.488 -6.619 1.00 0.00 O ATOM 0 H TYR A 462 -6.843 -2.887 -5.897 1.00 0.00 H new ATOM 0 HA TYR A 462 -6.011 -2.422 -8.587 1.00 0.00 H new ATOM 0 HB2 TYR A 462 -4.858 -1.537 -5.911 1.00 0.00 H new ATOM 0 HB3 TYR A 462 -4.380 -0.891 -7.468 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -6.166 0.301 -8.882 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -6.762 -0.673 -4.776 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -7.979 1.954 -8.752 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -8.579 0.974 -4.647 1.00 0.00 H new ATOM 0 HH TYR A 462 -9.773 2.494 -5.712 1.00 0.00 H new ATOM 198 N LEU A 463 -4.043 -4.197 -6.622 1.00 0.00 N ATOM 199 CA LEU A 463 -2.900 -5.102 -6.617 1.00 0.00 C ATOM 200 C LEU A 463 -3.194 -6.359 -7.429 1.00 0.00 C ATOM 201 O LEU A 463 -2.308 -6.912 -8.078 1.00 0.00 O ATOM 202 CB LEU A 463 -2.529 -5.482 -5.183 1.00 0.00 C ATOM 203 CG LEU A 463 -1.891 -4.360 -4.362 1.00 0.00 C ATOM 204 CD1 LEU A 463 -2.950 -3.613 -3.567 1.00 0.00 C ATOM 205 CD2 LEU A 463 -0.820 -4.917 -3.437 1.00 0.00 C ATOM 0 H LEU A 463 -4.514 -4.107 -5.722 1.00 0.00 H new ATOM 0 HA LEU A 463 -2.059 -4.584 -7.078 1.00 0.00 H new ATOM 0 HB2 LEU A 463 -3.428 -5.822 -4.669 1.00 0.00 H new ATOM 0 HB3 LEU A 463 -1.840 -6.326 -5.213 1.00 0.00 H new ATOM 0 HG LEU A 463 -1.418 -3.657 -5.048 1.00 0.00 H new ATOM 0 HD11 LEU A 463 -2.478 -2.818 -2.989 1.00 0.00 H new ATOM 0 HD12 LEU A 463 -3.680 -3.180 -4.251 1.00 0.00 H new ATOM 0 HD13 LEU A 463 -3.452 -4.304 -2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 463 -0.378 -4.104 -2.861 1.00 0.00 H new ATOM 0 HD22 LEU A 463 -1.268 -5.642 -2.757 1.00 0.00 H new ATOM 0 HD23 LEU A 463 -0.046 -5.405 -4.029 1.00 0.00 H new ATOM 217 N THR A 464 -4.445 -6.805 -7.387 1.00 0.00 N ATOM 218 CA THR A 464 -4.855 -7.997 -8.118 1.00 0.00 C ATOM 219 C THR A 464 -4.642 -7.819 -9.618 1.00 0.00 C ATOM 220 O THR A 464 -4.435 -8.791 -10.345 1.00 0.00 O ATOM 221 CB THR A 464 -6.325 -8.311 -7.834 1.00 0.00 C ATOM 222 OG1 THR A 464 -7.071 -7.117 -7.677 1.00 0.00 O ATOM 223 CG2 THR A 464 -6.529 -9.147 -6.588 1.00 0.00 C ATOM 0 H THR A 464 -5.192 -6.359 -6.855 1.00 0.00 H new ATOM 0 HA THR A 464 -4.238 -8.830 -7.780 1.00 0.00 H new ATOM 0 HB THR A 464 -6.670 -8.882 -8.696 1.00 0.00 H new ATOM 0 HG1 THR A 464 -6.825 -6.483 -8.382 1.00 0.00 H new ATOM 0 HG21 THR A 464 -7.593 -9.333 -6.445 1.00 0.00 H new ATOM 0 HG22 THR A 464 -6.006 -10.097 -6.698 1.00 0.00 H new ATOM 0 HG23 THR A 464 -6.135 -8.613 -5.723 1.00 0.00 H new ATOM 231 N ARG A 465 -4.693 -6.571 -10.077 1.00 0.00 N ATOM 232 CA ARG A 465 -4.505 -6.271 -11.491 1.00 0.00 C ATOM 233 C ARG A 465 -3.045 -6.438 -11.894 1.00 0.00 C ATOM 234 O ARG A 465 -2.717 -7.242 -12.768 1.00 0.00 O ATOM 235 CB ARG A 465 -4.970 -4.846 -11.798 1.00 0.00 C ATOM 236 CG ARG A 465 -6.471 -4.654 -11.665 1.00 0.00 C ATOM 237 CD ARG A 465 -6.885 -3.235 -12.020 1.00 0.00 C ATOM 238 NE ARG A 465 -6.743 -2.966 -13.449 1.00 0.00 N ATOM 239 CZ ARG A 465 -7.619 -3.364 -14.369 1.00 0.00 C ATOM 240 NH1 ARG A 465 -8.700 -4.048 -14.016 1.00 0.00 N ATOM 241 NH2 ARG A 465 -7.414 -3.076 -15.647 1.00 0.00 N ATOM 0 H ARG A 465 -4.863 -5.754 -9.491 1.00 0.00 H new ATOM 0 HA ARG A 465 -5.105 -6.975 -12.068 1.00 0.00 H new ATOM 0 HB2 ARG A 465 -4.463 -4.154 -11.125 1.00 0.00 H new ATOM 0 HB3 ARG A 465 -4.667 -4.584 -12.812 1.00 0.00 H new ATOM 0 HG2 ARG A 465 -6.988 -5.359 -12.316 1.00 0.00 H new ATOM 0 HG3 ARG A 465 -6.779 -4.879 -10.644 1.00 0.00 H new ATOM 0 HD2 ARG A 465 -7.921 -3.074 -11.722 1.00 0.00 H new ATOM 0 HD3 ARG A 465 -6.277 -2.528 -11.456 1.00 0.00 H new ATOM 0 HE ARG A 465 -5.925 -2.443 -13.760 1.00 0.00 H new ATOM 0 HH11 ARG A 465 -8.864 -4.272 -13.034 1.00 0.00 H new ATOM 0 HH12 ARG A 465 -9.367 -4.350 -14.726 1.00 0.00 H new ATOM 0 HH21 ARG A 465 -6.585 -2.550 -15.925 1.00 0.00 H new ATOM 0 HH22 ARG A 465 -8.085 -3.381 -16.352 1.00 0.00 H new ATOM 255 N LYS A 466 -2.175 -5.674 -11.250 1.00 0.00 N ATOM 256 CA LYS A 466 -0.747 -5.730 -11.534 1.00 0.00 C ATOM 257 C LYS A 466 0.071 -5.486 -10.268 1.00 0.00 C ATOM 258 O LYS A 466 -0.423 -4.899 -9.305 1.00 0.00 O ATOM 259 CB LYS A 466 -0.376 -4.698 -12.601 1.00 0.00 C ATOM 260 CG LYS A 466 -0.941 -3.313 -12.330 1.00 0.00 C ATOM 261 CD LYS A 466 -0.098 -2.231 -12.983 1.00 0.00 C ATOM 262 CE LYS A 466 0.859 -1.595 -11.987 1.00 0.00 C ATOM 263 NZ LYS A 466 1.739 -0.581 -12.633 1.00 0.00 N ATOM 0 H LYS A 466 -2.433 -5.005 -10.524 1.00 0.00 H new ATOM 0 HA LYS A 466 -0.516 -6.728 -11.907 1.00 0.00 H new ATOM 0 HB2 LYS A 466 0.710 -4.632 -12.668 1.00 0.00 H new ATOM 0 HB3 LYS A 466 -0.735 -5.045 -13.570 1.00 0.00 H new ATOM 0 HG2 LYS A 466 -1.963 -3.256 -12.705 1.00 0.00 H new ATOM 0 HG3 LYS A 466 -0.986 -3.141 -11.255 1.00 0.00 H new ATOM 0 HD2 LYS A 466 0.468 -2.659 -13.811 1.00 0.00 H new ATOM 0 HD3 LYS A 466 -0.749 -1.465 -13.404 1.00 0.00 H new ATOM 0 HE2 LYS A 466 0.289 -1.124 -11.186 1.00 0.00 H new ATOM 0 HE3 LYS A 466 1.473 -2.370 -11.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 2.377 -0.171 -11.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 2.301 -1.035 -13.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 1.154 0.172 -13.049 1.00 0.00 H new ATOM 277 N PRO A 467 1.338 -5.933 -10.254 1.00 0.00 N ATOM 278 CA PRO A 467 2.223 -5.758 -9.097 1.00 0.00 C ATOM 279 C PRO A 467 2.334 -4.298 -8.672 1.00 0.00 C ATOM 280 O PRO A 467 2.464 -3.406 -9.510 1.00 0.00 O ATOM 281 CB PRO A 467 3.576 -6.273 -9.597 1.00 0.00 C ATOM 282 CG PRO A 467 3.242 -7.202 -10.713 1.00 0.00 C ATOM 283 CD PRO A 467 2.006 -6.643 -11.359 1.00 0.00 C ATOM 0 HA PRO A 467 1.852 -6.286 -8.218 1.00 0.00 H new ATOM 0 HB2 PRO A 467 4.208 -5.454 -9.940 1.00 0.00 H new ATOM 0 HB3 PRO A 467 4.121 -6.786 -8.805 1.00 0.00 H new ATOM 0 HG2 PRO A 467 4.062 -7.264 -11.428 1.00 0.00 H new ATOM 0 HG3 PRO A 467 3.066 -8.211 -10.341 1.00 0.00 H new ATOM 0 HD2 PRO A 467 2.251 -5.969 -12.180 1.00 0.00 H new ATOM 0 HD3 PRO A 467 1.375 -7.431 -11.770 1.00 0.00 H new ATOM 291 N MET A 468 2.281 -4.061 -7.366 1.00 0.00 N ATOM 292 CA MET A 468 2.375 -2.707 -6.831 1.00 0.00 C ATOM 293 C MET A 468 3.301 -2.661 -5.621 1.00 0.00 C ATOM 294 O MET A 468 3.426 -3.640 -4.885 1.00 0.00 O ATOM 295 CB MET A 468 0.987 -2.193 -6.445 1.00 0.00 C ATOM 296 CG MET A 468 0.023 -2.105 -7.616 1.00 0.00 C ATOM 297 SD MET A 468 -1.552 -1.353 -7.164 1.00 0.00 S ATOM 298 CE MET A 468 -1.067 0.361 -6.975 1.00 0.00 C ATOM 0 H MET A 468 2.174 -4.788 -6.659 1.00 0.00 H new ATOM 0 HA MET A 468 2.791 -2.065 -7.607 1.00 0.00 H new ATOM 0 HB2 MET A 468 0.564 -2.850 -5.686 1.00 0.00 H new ATOM 0 HB3 MET A 468 1.087 -1.206 -5.993 1.00 0.00 H new ATOM 0 HG2 MET A 468 0.482 -1.525 -8.416 1.00 0.00 H new ATOM 0 HG3 MET A 468 -0.156 -3.105 -8.010 1.00 0.00 H new ATOM 0 HE1 MET A 468 -1.936 0.956 -6.695 1.00 0.00 H new ATOM 0 HE2 MET A 468 -0.307 0.441 -6.198 1.00 0.00 H new ATOM 0 HE3 MET A 468 -0.662 0.731 -7.917 1.00 0.00 H new ATOM 308 N THR A 469 3.947 -1.517 -5.420 1.00 0.00 N ATOM 309 CA THR A 469 4.861 -1.342 -4.297 1.00 0.00 C ATOM 310 C THR A 469 4.168 -0.624 -3.144 1.00 0.00 C ATOM 311 O THR A 469 3.122 -0.001 -3.327 1.00 0.00 O ATOM 312 CB THR A 469 6.097 -0.556 -4.735 1.00 0.00 C ATOM 313 OG1 THR A 469 5.769 0.800 -4.980 1.00 0.00 O ATOM 314 CG2 THR A 469 6.743 -1.106 -5.989 1.00 0.00 C ATOM 0 H THR A 469 3.854 -0.697 -6.020 1.00 0.00 H new ATOM 0 HA THR A 469 5.172 -2.329 -3.954 1.00 0.00 H new ATOM 0 HB THR A 469 6.804 -0.648 -3.911 1.00 0.00 H new ATOM 0 HG1 THR A 469 6.573 1.286 -5.257 1.00 0.00 H new ATOM 0 HG21 THR A 469 7.614 -0.502 -6.244 1.00 0.00 H new ATOM 0 HG22 THR A 469 7.054 -2.136 -5.816 1.00 0.00 H new ATOM 0 HG23 THR A 469 6.027 -1.076 -6.810 1.00 0.00 H new ATOM 322 N THR A 470 4.757 -0.713 -1.956 1.00 0.00 N ATOM 323 CA THR A 470 4.196 -0.072 -0.772 1.00 0.00 C ATOM 324 C THR A 470 3.984 1.421 -1.004 1.00 0.00 C ATOM 325 O THR A 470 2.935 1.968 -0.666 1.00 0.00 O ATOM 326 CB THR A 470 5.114 -0.284 0.432 1.00 0.00 C ATOM 327 OG1 THR A 470 6.435 0.132 0.134 1.00 0.00 O ATOM 328 CG2 THR A 470 5.177 -1.725 0.891 1.00 0.00 C ATOM 0 H THR A 470 5.624 -1.223 -1.787 1.00 0.00 H new ATOM 0 HA THR A 470 3.228 -0.530 -0.570 1.00 0.00 H new ATOM 0 HB THR A 470 4.683 0.316 1.234 1.00 0.00 H new ATOM 0 HG1 THR A 470 6.983 -0.651 -0.083 1.00 0.00 H new ATOM 0 HG21 THR A 470 5.846 -1.805 1.748 1.00 0.00 H new ATOM 0 HG22 THR A 470 4.180 -2.060 1.176 1.00 0.00 H new ATOM 0 HG23 THR A 470 5.551 -2.349 0.080 1.00 0.00 H new ATOM 336 N LYS A 471 4.986 2.073 -1.586 1.00 0.00 N ATOM 337 CA LYS A 471 4.906 3.501 -1.864 1.00 0.00 C ATOM 338 C LYS A 471 3.771 3.804 -2.836 1.00 0.00 C ATOM 339 O LYS A 471 3.078 4.812 -2.703 1.00 0.00 O ATOM 340 CB LYS A 471 6.232 4.006 -2.437 1.00 0.00 C ATOM 341 CG LYS A 471 7.416 3.793 -1.509 1.00 0.00 C ATOM 342 CD LYS A 471 8.600 4.659 -1.908 1.00 0.00 C ATOM 343 CE LYS A 471 9.121 4.288 -3.288 1.00 0.00 C ATOM 344 NZ LYS A 471 9.730 2.929 -3.305 1.00 0.00 N ATOM 0 H LYS A 471 5.861 1.635 -1.873 1.00 0.00 H new ATOM 0 HA LYS A 471 4.704 4.017 -0.925 1.00 0.00 H new ATOM 0 HB2 LYS A 471 6.426 3.499 -3.382 1.00 0.00 H new ATOM 0 HB3 LYS A 471 6.141 5.069 -2.658 1.00 0.00 H new ATOM 0 HG2 LYS A 471 7.123 4.025 -0.485 1.00 0.00 H new ATOM 0 HG3 LYS A 471 7.709 2.743 -1.527 1.00 0.00 H new ATOM 0 HD2 LYS A 471 8.304 5.708 -1.899 1.00 0.00 H new ATOM 0 HD3 LYS A 471 9.398 4.547 -1.174 1.00 0.00 H new ATOM 0 HE2 LYS A 471 8.303 4.328 -4.008 1.00 0.00 H new ATOM 0 HE3 LYS A 471 9.862 5.022 -3.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 10.221 2.780 -4.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 10.411 2.844 -2.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 8.984 2.213 -3.194 1.00 0.00 H new ATOM 358 N ASP A 472 3.585 2.923 -3.814 1.00 0.00 N ATOM 359 CA ASP A 472 2.534 3.096 -4.809 1.00 0.00 C ATOM 360 C ASP A 472 1.158 3.113 -4.152 1.00 0.00 C ATOM 361 O ASP A 472 0.285 3.891 -4.536 1.00 0.00 O ATOM 362 CB ASP A 472 2.600 1.979 -5.852 1.00 0.00 C ATOM 363 CG ASP A 472 1.642 2.205 -7.007 1.00 0.00 C ATOM 364 OD1 ASP A 472 1.129 3.336 -7.139 1.00 0.00 O ATOM 365 OD2 ASP A 472 1.407 1.252 -7.779 1.00 0.00 O ATOM 0 H ASP A 472 4.149 2.082 -3.938 1.00 0.00 H new ATOM 0 HA ASP A 472 2.692 4.055 -5.303 1.00 0.00 H new ATOM 0 HB2 ASP A 472 3.617 1.905 -6.237 1.00 0.00 H new ATOM 0 HB3 ASP A 472 2.370 1.026 -5.375 1.00 0.00 H new ATOM 370 N LEU A 473 0.973 2.249 -3.161 1.00 0.00 N ATOM 371 CA LEU A 473 -0.296 2.164 -2.449 1.00 0.00 C ATOM 372 C LEU A 473 -0.579 3.453 -1.684 1.00 0.00 C ATOM 373 O LEU A 473 -1.711 3.934 -1.655 1.00 0.00 O ATOM 374 CB LEU A 473 -0.288 0.976 -1.486 1.00 0.00 C ATOM 375 CG LEU A 473 -0.591 -0.380 -2.127 1.00 0.00 C ATOM 376 CD1 LEU A 473 0.689 -1.035 -2.622 1.00 0.00 C ATOM 377 CD2 LEU A 473 -1.308 -1.287 -1.139 1.00 0.00 C ATOM 0 H LEU A 473 1.686 1.597 -2.832 1.00 0.00 H new ATOM 0 HA LEU A 473 -1.087 2.019 -3.185 1.00 0.00 H new ATOM 0 HB2 LEU A 473 0.689 0.924 -1.006 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -1.020 1.161 -0.700 1.00 0.00 H new ATOM 0 HG LEU A 473 -1.246 -0.218 -2.983 1.00 0.00 H new ATOM 0 HD11 LEU A 473 0.453 -1.998 -3.075 1.00 0.00 H new ATOM 0 HD12 LEU A 473 1.164 -0.392 -3.363 1.00 0.00 H new ATOM 0 HD13 LEU A 473 1.369 -1.185 -1.783 1.00 0.00 H new ATOM 0 HD21 LEU A 473 -1.516 -2.247 -1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 473 -0.677 -1.442 -0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 473 -2.245 -0.823 -0.833 1.00 0.00 H new ATOM 389 N LEU A 474 0.459 4.007 -1.066 1.00 0.00 N ATOM 390 CA LEU A 474 0.321 5.241 -0.301 1.00 0.00 C ATOM 391 C LEU A 474 -0.013 6.413 -1.218 1.00 0.00 C ATOM 392 O LEU A 474 -0.860 7.246 -0.897 1.00 0.00 O ATOM 393 CB LEU A 474 1.608 5.533 0.474 1.00 0.00 C ATOM 394 CG LEU A 474 1.433 6.417 1.710 1.00 0.00 C ATOM 395 CD1 LEU A 474 0.810 7.751 1.331 1.00 0.00 C ATOM 396 CD2 LEU A 474 0.585 5.708 2.755 1.00 0.00 C ATOM 0 H LEU A 474 1.403 3.622 -1.080 1.00 0.00 H new ATOM 0 HA LEU A 474 -0.498 5.112 0.407 1.00 0.00 H new ATOM 0 HB2 LEU A 474 2.051 4.586 0.783 1.00 0.00 H new ATOM 0 HB3 LEU A 474 2.319 6.012 -0.199 1.00 0.00 H new ATOM 0 HG LEU A 474 2.417 6.609 2.137 1.00 0.00 H new ATOM 0 HD11 LEU A 474 0.694 8.365 2.224 1.00 0.00 H new ATOM 0 HD12 LEU A 474 1.456 8.265 0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 474 -0.167 7.581 0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 474 0.470 6.351 3.628 1.00 0.00 H new ATOM 0 HD22 LEU A 474 -0.397 5.485 2.337 1.00 0.00 H new ATOM 0 HD23 LEU A 474 1.073 4.779 3.050 1.00 0.00 H new ATOM 408 N LYS A 475 0.658 6.470 -2.365 1.00 0.00 N ATOM 409 CA LYS A 475 0.432 7.537 -3.332 1.00 0.00 C ATOM 410 C LYS A 475 -1.003 7.508 -3.848 1.00 0.00 C ATOM 411 O LYS A 475 -1.569 8.545 -4.195 1.00 0.00 O ATOM 412 CB LYS A 475 1.410 7.411 -4.502 1.00 0.00 C ATOM 413 CG LYS A 475 2.855 7.686 -4.119 1.00 0.00 C ATOM 414 CD LYS A 475 3.769 7.655 -5.333 1.00 0.00 C ATOM 415 CE LYS A 475 5.226 7.830 -4.939 1.00 0.00 C ATOM 416 NZ LYS A 475 6.091 8.115 -6.118 1.00 0.00 N ATOM 0 H LYS A 475 1.363 5.789 -2.647 1.00 0.00 H new ATOM 0 HA LYS A 475 0.600 8.490 -2.830 1.00 0.00 H new ATOM 0 HB2 LYS A 475 1.338 6.406 -4.918 1.00 0.00 H new ATOM 0 HB3 LYS A 475 1.113 8.104 -5.289 1.00 0.00 H new ATOM 0 HG2 LYS A 475 2.925 8.660 -3.634 1.00 0.00 H new ATOM 0 HG3 LYS A 475 3.188 6.944 -3.393 1.00 0.00 H new ATOM 0 HD2 LYS A 475 3.645 6.708 -5.859 1.00 0.00 H new ATOM 0 HD3 LYS A 475 3.481 8.445 -6.026 1.00 0.00 H new ATOM 0 HE2 LYS A 475 5.312 8.645 -4.220 1.00 0.00 H new ATOM 0 HE3 LYS A 475 5.578 6.927 -4.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 7.077 8.228 -5.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 6.029 7.326 -6.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 5.772 8.991 -6.579 1.00 0.00 H new ATOM 430 N LYS A 476 -1.587 6.314 -3.894 1.00 0.00 N ATOM 431 CA LYS A 476 -2.957 6.149 -4.366 1.00 0.00 C ATOM 432 C LYS A 476 -3.921 7.009 -3.555 1.00 0.00 C ATOM 433 O LYS A 476 -4.939 7.471 -4.069 1.00 0.00 O ATOM 434 CB LYS A 476 -3.372 4.680 -4.283 1.00 0.00 C ATOM 435 CG LYS A 476 -4.700 4.384 -4.959 1.00 0.00 C ATOM 436 CD LYS A 476 -4.572 4.409 -6.474 1.00 0.00 C ATOM 437 CE LYS A 476 -5.825 3.874 -7.148 1.00 0.00 C ATOM 438 NZ LYS A 476 -5.795 4.080 -8.622 1.00 0.00 N ATOM 0 H LYS A 476 -1.132 5.446 -3.610 1.00 0.00 H new ATOM 0 HA LYS A 476 -2.998 6.474 -5.406 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -2.596 4.066 -4.740 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -3.434 4.387 -3.235 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -5.062 3.407 -4.640 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -5.442 5.118 -4.643 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -4.386 5.430 -6.808 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -3.712 3.813 -6.777 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -5.927 2.810 -6.932 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -6.701 4.369 -6.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 -6.361 3.342 -9.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -6.190 5.015 -8.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -4.813 4.028 -8.960 1.00 0.00 H new ATOM 452 N PHE A 477 -3.591 7.220 -2.286 1.00 0.00 N ATOM 453 CA PHE A 477 -4.425 8.027 -1.401 1.00 0.00 C ATOM 454 C PHE A 477 -3.570 8.758 -0.370 1.00 0.00 C ATOM 455 O PHE A 477 -3.922 8.829 0.807 1.00 0.00 O ATOM 456 CB PHE A 477 -5.456 7.144 -0.694 1.00 0.00 C ATOM 457 CG PHE A 477 -6.410 6.464 -1.634 1.00 0.00 C ATOM 458 CD1 PHE A 477 -7.513 7.138 -2.131 1.00 0.00 C ATOM 459 CD2 PHE A 477 -6.202 5.150 -2.021 1.00 0.00 C ATOM 460 CE1 PHE A 477 -8.392 6.514 -2.997 1.00 0.00 C ATOM 461 CE2 PHE A 477 -7.078 4.521 -2.886 1.00 0.00 C ATOM 462 CZ PHE A 477 -8.174 5.204 -3.374 1.00 0.00 C ATOM 0 H PHE A 477 -2.751 6.843 -1.846 1.00 0.00 H new ATOM 0 HA PHE A 477 -4.947 8.768 -2.006 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -4.934 6.387 -0.109 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -6.024 7.754 0.009 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -7.689 8.163 -1.839 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -5.346 4.611 -1.643 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -9.248 7.051 -3.378 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -6.905 3.496 -3.180 1.00 0.00 H new ATOM 0 HZ PHE A 477 -8.860 4.714 -4.050 1.00 0.00 H new ATOM 472 N GLN A 478 -2.444 9.299 -0.823 1.00 0.00 N ATOM 473 CA GLN A 478 -1.535 10.022 0.059 1.00 0.00 C ATOM 474 C GLN A 478 -2.105 11.388 0.434 1.00 0.00 C ATOM 475 O GLN A 478 -2.481 11.618 1.584 1.00 0.00 O ATOM 476 CB GLN A 478 -0.171 10.194 -0.610 1.00 0.00 C ATOM 477 CG GLN A 478 0.864 10.863 0.279 1.00 0.00 C ATOM 478 CD GLN A 478 2.180 11.103 -0.435 1.00 0.00 C ATOM 479 OE1 GLN A 478 3.244 10.482 0.062 1.00 0.00 O flip ATOM 480 NE2 GLN A 478 2.239 11.837 -1.420 1.00 0.00 N flip ATOM 0 H GLN A 478 -2.139 9.251 -1.795 1.00 0.00 H new ATOM 0 HA GLN A 478 -1.415 9.437 0.971 1.00 0.00 H new ATOM 0 HB2 GLN A 478 0.201 9.215 -0.913 1.00 0.00 H new ATOM 0 HB3 GLN A 478 -0.293 10.784 -1.518 1.00 0.00 H new ATOM 0 HG2 GLN A 478 0.470 11.815 0.636 1.00 0.00 H new ATOM 0 HG3 GLN A 478 1.040 10.241 1.157 1.00 0.00 H new ATOM 0 HE21 GLN A 478 1.396 12.294 -1.767 1.00 0.00 H new ATOM 0 HE22 GLN A 478 3.131 11.989 -1.890 1.00 0.00 H new ATOM 489 N THR A 479 -2.161 12.290 -0.539 1.00 0.00 N ATOM 490 CA THR A 479 -2.681 13.633 -0.307 1.00 0.00 C ATOM 491 C THR A 479 -3.970 13.869 -1.088 1.00 0.00 C ATOM 492 O THR A 479 -4.287 15.001 -1.452 1.00 0.00 O ATOM 493 CB THR A 479 -1.638 14.680 -0.699 1.00 0.00 C ATOM 494 OG1 THR A 479 -1.385 14.639 -2.092 1.00 0.00 O ATOM 495 CG2 THR A 479 -0.313 14.502 0.013 1.00 0.00 C ATOM 0 H THR A 479 -1.853 12.116 -1.496 1.00 0.00 H new ATOM 0 HA THR A 479 -2.903 13.726 0.756 1.00 0.00 H new ATOM 0 HB THR A 479 -2.066 15.638 -0.403 1.00 0.00 H new ATOM 0 HG1 THR A 479 -0.716 15.317 -2.323 1.00 0.00 H new ATOM 0 HG21 THR A 479 0.381 15.277 -0.311 1.00 0.00 H new ATOM 0 HG22 THR A 479 -0.465 14.578 1.090 1.00 0.00 H new ATOM 0 HG23 THR A 479 0.100 13.522 -0.227 1.00 0.00 H new ATOM 503 N LYS A 480 -4.712 12.795 -1.342 1.00 0.00 N ATOM 504 CA LYS A 480 -5.967 12.893 -2.079 1.00 0.00 C ATOM 505 C LYS A 480 -7.139 13.110 -1.128 1.00 0.00 C ATOM 506 O LYS A 480 -7.128 12.630 0.006 1.00 0.00 O ATOM 507 CB LYS A 480 -6.197 11.632 -2.912 1.00 0.00 C ATOM 508 CG LYS A 480 -5.178 11.443 -4.024 1.00 0.00 C ATOM 509 CD LYS A 480 -5.602 10.347 -4.987 1.00 0.00 C ATOM 510 CE LYS A 480 -4.485 9.994 -5.957 1.00 0.00 C ATOM 511 NZ LYS A 480 -4.829 8.813 -6.795 1.00 0.00 N ATOM 0 H LYS A 480 -4.467 11.849 -1.049 1.00 0.00 H new ATOM 0 HA LYS A 480 -5.900 13.751 -2.748 1.00 0.00 H new ATOM 0 HB2 LYS A 480 -6.171 10.763 -2.255 1.00 0.00 H new ATOM 0 HB3 LYS A 480 -7.195 11.672 -3.348 1.00 0.00 H new ATOM 0 HG2 LYS A 480 -5.054 12.379 -4.568 1.00 0.00 H new ATOM 0 HG3 LYS A 480 -4.209 11.194 -3.592 1.00 0.00 H new ATOM 0 HD2 LYS A 480 -5.891 9.459 -4.425 1.00 0.00 H new ATOM 0 HD3 LYS A 480 -6.481 10.671 -5.545 1.00 0.00 H new ATOM 0 HE2 LYS A 480 -4.280 10.849 -6.601 1.00 0.00 H new ATOM 0 HE3 LYS A 480 -3.571 9.789 -5.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 480 -4.056 8.626 -7.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 480 -4.966 7.982 -6.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 480 -5.705 9.004 -7.321 1.00 0.00 H new ATOM 525 N LYS A 481 -8.148 13.837 -1.596 1.00 0.00 N ATOM 526 CA LYS A 481 -9.327 14.120 -0.785 1.00 0.00 C ATOM 527 C LYS A 481 -10.153 12.857 -0.565 1.00 0.00 C ATOM 528 O LYS A 481 -10.904 12.433 -1.443 1.00 0.00 O ATOM 529 CB LYS A 481 -10.186 15.194 -1.454 1.00 0.00 C ATOM 530 CG LYS A 481 -11.334 15.683 -0.586 1.00 0.00 C ATOM 531 CD LYS A 481 -12.195 16.698 -1.321 1.00 0.00 C ATOM 532 CE LYS A 481 -13.247 17.302 -0.405 1.00 0.00 C ATOM 533 NZ LYS A 481 -14.345 17.952 -1.173 1.00 0.00 N ATOM 0 H LYS A 481 -8.173 14.241 -2.532 1.00 0.00 H new ATOM 0 HA LYS A 481 -8.990 14.485 0.185 1.00 0.00 H new ATOM 0 HB2 LYS A 481 -9.553 16.042 -1.717 1.00 0.00 H new ATOM 0 HB3 LYS A 481 -10.589 14.797 -2.385 1.00 0.00 H new ATOM 0 HG2 LYS A 481 -11.948 14.835 -0.282 1.00 0.00 H new ATOM 0 HG3 LYS A 481 -10.937 16.132 0.325 1.00 0.00 H new ATOM 0 HD2 LYS A 481 -11.563 17.490 -1.723 1.00 0.00 H new ATOM 0 HD3 LYS A 481 -12.682 16.217 -2.169 1.00 0.00 H new ATOM 0 HE2 LYS A 481 -13.663 16.523 0.234 1.00 0.00 H new ATOM 0 HE3 LYS A 481 -12.779 18.036 0.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 -15.042 18.351 -0.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 -13.952 18.713 -1.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 -14.809 17.246 -1.780 1.00 0.00 H new ATOM 547 N THR A 482 -10.010 12.261 0.615 1.00 0.00 N ATOM 548 CA THR A 482 -10.745 11.047 0.953 1.00 0.00 C ATOM 549 C THR A 482 -11.435 11.175 2.311 1.00 0.00 C ATOM 550 O THR A 482 -11.999 10.206 2.820 1.00 0.00 O ATOM 551 CB THR A 482 -9.802 9.844 0.961 1.00 0.00 C ATOM 552 OG1 THR A 482 -8.742 10.044 1.879 1.00 0.00 O ATOM 553 CG2 THR A 482 -9.188 9.555 -0.393 1.00 0.00 C ATOM 0 H THR A 482 -9.392 12.599 1.353 1.00 0.00 H new ATOM 0 HA THR A 482 -11.513 10.899 0.194 1.00 0.00 H new ATOM 0 HB THR A 482 -10.421 8.994 1.250 1.00 0.00 H new ATOM 0 HG1 THR A 482 -8.150 9.263 1.871 1.00 0.00 H new ATOM 0 HG21 THR A 482 -8.530 8.690 -0.317 1.00 0.00 H new ATOM 0 HG22 THR A 482 -9.979 9.347 -1.114 1.00 0.00 H new ATOM 0 HG23 THR A 482 -8.613 10.420 -0.724 1.00 0.00 H new ATOM 561 N GLY A 483 -11.388 12.370 2.897 1.00 0.00 N ATOM 562 CA GLY A 483 -12.015 12.586 4.187 1.00 0.00 C ATOM 563 C GLY A 483 -11.044 12.422 5.341 1.00 0.00 C ATOM 564 O GLY A 483 -11.223 13.019 6.401 1.00 0.00 O ATOM 0 H GLY A 483 -10.928 13.189 2.501 1.00 0.00 H new ATOM 0 HA2 GLY A 483 -12.442 13.588 4.216 1.00 0.00 H new ATOM 0 HA3 GLY A 483 -12.840 11.884 4.308 1.00 0.00 H new ATOM 568 N LEU A 484 -10.012 11.609 5.134 1.00 0.00 N ATOM 569 CA LEU A 484 -9.009 11.368 6.166 1.00 0.00 C ATOM 570 C LEU A 484 -7.691 12.048 5.814 1.00 0.00 C ATOM 571 O LEU A 484 -7.320 12.137 4.644 1.00 0.00 O ATOM 572 CB LEU A 484 -8.789 9.865 6.348 1.00 0.00 C ATOM 573 CG LEU A 484 -10.059 9.048 6.587 1.00 0.00 C ATOM 574 CD1 LEU A 484 -9.724 7.573 6.743 1.00 0.00 C ATOM 575 CD2 LEU A 484 -10.799 9.562 7.813 1.00 0.00 C ATOM 0 H LEU A 484 -9.849 11.106 4.262 1.00 0.00 H new ATOM 0 HA LEU A 484 -9.375 11.792 7.101 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -8.287 9.477 5.461 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -8.113 9.712 7.189 1.00 0.00 H new ATOM 0 HG LEU A 484 -10.710 9.161 5.720 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -10.640 7.008 6.912 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -9.238 7.213 5.837 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -9.054 7.440 7.592 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -11.701 8.969 7.969 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -10.155 9.479 8.688 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -11.073 10.606 7.662 1.00 0.00 H new ATOM 587 N SER A 485 -6.986 12.526 6.834 1.00 0.00 N ATOM 588 CA SER A 485 -5.707 13.197 6.634 1.00 0.00 C ATOM 589 C SER A 485 -4.675 12.238 6.051 1.00 0.00 C ATOM 590 O SER A 485 -4.826 11.019 6.139 1.00 0.00 O ATOM 591 CB SER A 485 -5.196 13.773 7.955 1.00 0.00 C ATOM 592 OG SER A 485 -6.159 14.627 8.547 1.00 0.00 O ATOM 0 H SER A 485 -7.279 12.461 7.809 1.00 0.00 H new ATOM 0 HA SER A 485 -5.860 14.012 5.926 1.00 0.00 H new ATOM 0 HB2 SER A 485 -4.956 12.960 8.641 1.00 0.00 H new ATOM 0 HB3 SER A 485 -4.273 14.326 7.781 1.00 0.00 H new ATOM 0 HG SER A 485 -5.808 14.980 9.391 1.00 0.00 H new ATOM 598 N SER A 486 -3.626 12.795 5.454 1.00 0.00 N ATOM 599 CA SER A 486 -2.568 11.989 4.856 1.00 0.00 C ATOM 600 C SER A 486 -1.927 11.072 5.893 1.00 0.00 C ATOM 601 O SER A 486 -1.594 9.924 5.600 1.00 0.00 O ATOM 602 CB SER A 486 -1.503 12.891 4.230 1.00 0.00 C ATOM 603 OG SER A 486 -0.738 12.187 3.266 1.00 0.00 O ATOM 0 H SER A 486 -3.486 13.802 5.372 1.00 0.00 H new ATOM 0 HA SER A 486 -3.015 11.370 4.078 1.00 0.00 H new ATOM 0 HB2 SER A 486 -1.981 13.751 3.761 1.00 0.00 H new ATOM 0 HB3 SER A 486 -0.845 13.277 5.009 1.00 0.00 H new ATOM 0 HG SER A 486 -1.324 11.588 2.758 1.00 0.00 H new ATOM 609 N GLU A 487 -1.759 11.587 7.107 1.00 0.00 N ATOM 610 CA GLU A 487 -1.158 10.814 8.187 1.00 0.00 C ATOM 611 C GLU A 487 -2.098 9.707 8.652 1.00 0.00 C ATOM 612 O GLU A 487 -1.666 8.587 8.927 1.00 0.00 O ATOM 613 CB GLU A 487 -0.807 11.729 9.363 1.00 0.00 C ATOM 614 CG GLU A 487 -2.019 12.358 10.029 1.00 0.00 C ATOM 615 CD GLU A 487 -1.641 13.342 11.119 1.00 0.00 C ATOM 616 OE1 GLU A 487 -1.165 12.894 12.184 1.00 0.00 O ATOM 617 OE2 GLU A 487 -1.821 14.560 10.908 1.00 0.00 O ATOM 0 H GLU A 487 -2.030 12.535 7.367 1.00 0.00 H new ATOM 0 HA GLU A 487 -0.245 10.355 7.808 1.00 0.00 H new ATOM 0 HB2 GLU A 487 -0.252 11.155 10.105 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -0.145 12.520 9.011 1.00 0.00 H new ATOM 0 HG2 GLU A 487 -2.619 12.869 9.276 1.00 0.00 H new ATOM 0 HG3 GLU A 487 -2.644 11.573 10.455 1.00 0.00 H new ATOM 624 N GLN A 488 -3.385 10.026 8.737 1.00 0.00 N ATOM 625 CA GLN A 488 -4.386 9.057 9.167 1.00 0.00 C ATOM 626 C GLN A 488 -4.464 7.886 8.194 1.00 0.00 C ATOM 627 O GLN A 488 -4.716 6.749 8.593 1.00 0.00 O ATOM 628 CB GLN A 488 -5.756 9.727 9.289 1.00 0.00 C ATOM 629 CG GLN A 488 -5.808 10.818 10.345 1.00 0.00 C ATOM 630 CD GLN A 488 -5.462 10.307 11.730 1.00 0.00 C ATOM 631 OE1 GLN A 488 -6.019 9.310 12.192 1.00 0.00 O ATOM 632 NE2 GLN A 488 -4.541 10.988 12.400 1.00 0.00 N ATOM 0 H GLN A 488 -3.759 10.948 8.514 1.00 0.00 H new ATOM 0 HA GLN A 488 -4.088 8.674 10.143 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -6.030 10.154 8.324 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -6.502 8.968 9.525 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -5.116 11.615 10.073 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -6.807 11.255 10.362 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -4.106 11.808 11.978 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -4.268 10.691 13.337 1.00 0.00 H new ATOM 641 N THR A 489 -4.247 8.171 6.913 1.00 0.00 N ATOM 642 CA THR A 489 -4.293 7.142 5.882 1.00 0.00 C ATOM 643 C THR A 489 -3.273 6.043 6.163 1.00 0.00 C ATOM 644 O THR A 489 -3.559 4.859 5.985 1.00 0.00 O ATOM 645 CB THR A 489 -4.027 7.759 4.507 1.00 0.00 C ATOM 646 OG1 THR A 489 -4.928 8.822 4.252 1.00 0.00 O ATOM 647 CG2 THR A 489 -4.154 6.767 3.372 1.00 0.00 C ATOM 0 H THR A 489 -4.038 9.107 6.565 1.00 0.00 H new ATOM 0 HA THR A 489 -5.289 6.699 5.890 1.00 0.00 H new ATOM 0 HB THR A 489 -2.997 8.114 4.544 1.00 0.00 H new ATOM 0 HG1 THR A 489 -4.716 9.578 4.838 1.00 0.00 H new ATOM 0 HG21 THR A 489 -3.953 7.269 2.426 1.00 0.00 H new ATOM 0 HG22 THR A 489 -3.437 5.959 3.513 1.00 0.00 H new ATOM 0 HG23 THR A 489 -5.164 6.357 3.358 1.00 0.00 H new ATOM 655 N VAL A 490 -2.086 6.442 6.604 1.00 0.00 N ATOM 656 CA VAL A 490 -1.025 5.491 6.910 1.00 0.00 C ATOM 657 C VAL A 490 -1.446 4.540 8.026 1.00 0.00 C ATOM 658 O VAL A 490 -1.171 3.341 7.971 1.00 0.00 O ATOM 659 CB VAL A 490 0.273 6.210 7.325 1.00 0.00 C ATOM 660 CG1 VAL A 490 1.411 5.214 7.490 1.00 0.00 C ATOM 661 CG2 VAL A 490 0.636 7.284 6.310 1.00 0.00 C ATOM 0 H VAL A 490 -1.834 7.418 6.758 1.00 0.00 H new ATOM 0 HA VAL A 490 -0.839 4.921 6.000 1.00 0.00 H new ATOM 0 HB VAL A 490 0.105 6.693 8.288 1.00 0.00 H new ATOM 0 HG11 VAL A 490 2.318 5.743 7.783 1.00 0.00 H new ATOM 0 HG12 VAL A 490 1.150 4.487 8.259 1.00 0.00 H new ATOM 0 HG13 VAL A 490 1.582 4.697 6.546 1.00 0.00 H new ATOM 0 HG21 VAL A 490 1.555 7.781 6.619 1.00 0.00 H new ATOM 0 HG22 VAL A 490 0.783 6.826 5.332 1.00 0.00 H new ATOM 0 HG23 VAL A 490 -0.170 8.016 6.250 1.00 0.00 H new ATOM 671 N ASN A 491 -2.115 5.083 9.038 1.00 0.00 N ATOM 672 CA ASN A 491 -2.573 4.284 10.169 1.00 0.00 C ATOM 673 C ASN A 491 -3.539 3.196 9.713 1.00 0.00 C ATOM 674 O ASN A 491 -3.421 2.039 10.116 1.00 0.00 O ATOM 675 CB ASN A 491 -3.248 5.177 11.211 1.00 0.00 C ATOM 676 CG ASN A 491 -3.487 4.456 12.523 1.00 0.00 C ATOM 677 OD1 ASN A 491 -3.211 3.263 12.648 1.00 0.00 O ATOM 678 ND2 ASN A 491 -4.002 5.179 13.510 1.00 0.00 N ATOM 0 H ASN A 491 -2.352 6.073 9.098 1.00 0.00 H new ATOM 0 HA ASN A 491 -1.703 3.806 10.619 1.00 0.00 H new ATOM 0 HB2 ASN A 491 -2.627 6.055 11.390 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -4.200 5.534 10.817 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -4.184 4.748 14.416 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -4.216 6.165 13.362 1.00 0.00 H new ATOM 685 N VAL A 492 -4.497 3.573 8.871 1.00 0.00 N ATOM 686 CA VAL A 492 -5.483 2.628 8.362 1.00 0.00 C ATOM 687 C VAL A 492 -4.840 1.625 7.408 1.00 0.00 C ATOM 688 O VAL A 492 -5.024 0.416 7.547 1.00 0.00 O ATOM 689 CB VAL A 492 -6.633 3.351 7.633 1.00 0.00 C ATOM 690 CG1 VAL A 492 -7.716 2.362 7.225 1.00 0.00 C ATOM 691 CG2 VAL A 492 -7.210 4.454 8.507 1.00 0.00 C ATOM 0 H VAL A 492 -4.611 4.527 8.527 1.00 0.00 H new ATOM 0 HA VAL A 492 -5.888 2.098 9.224 1.00 0.00 H new ATOM 0 HB VAL A 492 -6.233 3.808 6.728 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -8.518 2.892 6.712 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -7.291 1.613 6.557 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -8.115 1.872 8.113 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -8.020 4.953 7.976 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -7.594 4.022 9.431 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -6.430 5.178 8.741 1.00 0.00 H new ATOM 701 N LEU A 493 -4.087 2.137 6.441 1.00 0.00 N ATOM 702 CA LEU A 493 -3.416 1.286 5.464 1.00 0.00 C ATOM 703 C LEU A 493 -2.402 0.373 6.144 1.00 0.00 C ATOM 704 O LEU A 493 -2.152 -0.742 5.688 1.00 0.00 O ATOM 705 CB LEU A 493 -2.721 2.142 4.403 1.00 0.00 C ATOM 706 CG LEU A 493 -3.603 2.551 3.222 1.00 0.00 C ATOM 707 CD1 LEU A 493 -4.785 3.380 3.700 1.00 0.00 C ATOM 708 CD2 LEU A 493 -2.789 3.323 2.195 1.00 0.00 C ATOM 0 H LEU A 493 -3.926 3.136 6.312 1.00 0.00 H new ATOM 0 HA LEU A 493 -4.170 0.664 4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -2.337 3.044 4.880 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -1.861 1.593 4.021 1.00 0.00 H new ATOM 0 HG LEU A 493 -3.988 1.648 2.749 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -5.401 3.662 2.846 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -5.381 2.794 4.400 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -4.421 4.279 4.197 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -3.431 3.607 1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -2.377 4.220 2.657 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -1.975 2.696 1.830 1.00 0.00 H new ATOM 720 N ALA A 494 -1.819 0.854 7.237 1.00 0.00 N ATOM 721 CA ALA A 494 -0.832 0.080 7.979 1.00 0.00 C ATOM 722 C ALA A 494 -1.462 -1.157 8.608 1.00 0.00 C ATOM 723 O ALA A 494 -0.872 -2.238 8.602 1.00 0.00 O ATOM 724 CB ALA A 494 -0.182 0.944 9.050 1.00 0.00 C ATOM 0 H ALA A 494 -2.013 1.776 7.628 1.00 0.00 H new ATOM 0 HA ALA A 494 -0.066 -0.252 7.278 1.00 0.00 H new ATOM 0 HB1 ALA A 494 0.553 0.354 9.597 1.00 0.00 H new ATOM 0 HB2 ALA A 494 0.312 1.795 8.581 1.00 0.00 H new ATOM 0 HB3 ALA A 494 -0.945 1.303 9.740 1.00 0.00 H new ATOM 730 N GLN A 495 -2.661 -0.990 9.150 1.00 0.00 N ATOM 731 CA GLN A 495 -3.375 -2.092 9.786 1.00 0.00 C ATOM 732 C GLN A 495 -4.002 -3.013 8.744 1.00 0.00 C ATOM 733 O GLN A 495 -3.935 -4.236 8.862 1.00 0.00 O ATOM 734 CB GLN A 495 -4.457 -1.552 10.721 1.00 0.00 C ATOM 735 CG GLN A 495 -3.905 -0.768 11.901 1.00 0.00 C ATOM 736 CD GLN A 495 -4.998 -0.205 12.789 1.00 0.00 C ATOM 737 OE1 GLN A 495 -6.159 -0.127 12.391 1.00 0.00 O ATOM 738 NE2 GLN A 495 -4.628 0.193 14.002 1.00 0.00 N ATOM 0 H GLN A 495 -3.161 -0.101 9.163 1.00 0.00 H new ATOM 0 HA GLN A 495 -2.655 -2.669 10.366 1.00 0.00 H new ATOM 0 HB2 GLN A 495 -5.130 -0.911 10.152 1.00 0.00 H new ATOM 0 HB3 GLN A 495 -5.051 -2.386 11.095 1.00 0.00 H new ATOM 0 HG2 GLN A 495 -3.259 -1.416 12.493 1.00 0.00 H new ATOM 0 HG3 GLN A 495 -3.285 0.049 11.532 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -3.653 0.110 14.291 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -5.319 0.582 14.644 1.00 0.00 H new ATOM 747 N ILE A 496 -4.612 -2.418 7.724 1.00 0.00 N ATOM 748 CA ILE A 496 -5.253 -3.185 6.663 1.00 0.00 C ATOM 749 C ILE A 496 -4.238 -4.055 5.927 1.00 0.00 C ATOM 750 O ILE A 496 -4.492 -5.225 5.643 1.00 0.00 O ATOM 751 CB ILE A 496 -5.980 -2.255 5.662 1.00 0.00 C ATOM 752 CG1 ILE A 496 -7.211 -2.955 5.084 1.00 0.00 C ATOM 753 CG2 ILE A 496 -5.052 -1.795 4.543 1.00 0.00 C ATOM 754 CD1 ILE A 496 -8.140 -2.023 4.336 1.00 0.00 C ATOM 0 H ILE A 496 -4.676 -1.406 7.610 1.00 0.00 H new ATOM 0 HA ILE A 496 -5.993 -3.834 7.131 1.00 0.00 H new ATOM 0 HB ILE A 496 -6.301 -1.367 6.207 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -6.886 -3.748 4.411 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -7.762 -3.431 5.895 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -5.599 -1.144 3.861 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -4.211 -1.249 4.969 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -4.682 -2.663 3.997 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -8.991 -2.587 3.954 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -8.495 -1.244 5.011 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -7.604 -1.566 3.504 1.00 0.00 H new ATOM 766 N LEU A 497 -3.088 -3.468 5.623 1.00 0.00 N ATOM 767 CA LEU A 497 -2.024 -4.177 4.920 1.00 0.00 C ATOM 768 C LEU A 497 -1.537 -5.374 5.726 1.00 0.00 C ATOM 769 O LEU A 497 -1.283 -6.438 5.169 1.00 0.00 O ATOM 770 CB LEU A 497 -0.856 -3.233 4.627 1.00 0.00 C ATOM 771 CG LEU A 497 -0.945 -2.489 3.293 1.00 0.00 C ATOM 772 CD1 LEU A 497 -0.258 -1.136 3.390 1.00 0.00 C ATOM 773 CD2 LEU A 497 -0.332 -3.323 2.177 1.00 0.00 C ATOM 0 H LEU A 497 -2.867 -2.499 5.853 1.00 0.00 H new ATOM 0 HA LEU A 497 -2.431 -4.542 3.977 1.00 0.00 H new ATOM 0 HB2 LEU A 497 -0.790 -2.500 5.431 1.00 0.00 H new ATOM 0 HB3 LEU A 497 0.070 -3.808 4.644 1.00 0.00 H new ATOM 0 HG LEU A 497 -1.997 -2.323 3.060 1.00 0.00 H new ATOM 0 HD11 LEU A 497 -0.331 -0.621 2.432 1.00 0.00 H new ATOM 0 HD12 LEU A 497 -0.741 -0.537 4.162 1.00 0.00 H new ATOM 0 HD13 LEU A 497 0.792 -1.279 3.646 1.00 0.00 H new ATOM 0 HD21 LEU A 497 -0.404 -2.779 1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 497 0.716 -3.520 2.404 1.00 0.00 H new ATOM 0 HD23 LEU A 497 -0.869 -4.268 2.092 1.00 0.00 H new ATOM 785 N LYS A 498 -1.409 -5.200 7.039 1.00 0.00 N ATOM 786 CA LYS A 498 -0.946 -6.280 7.908 1.00 0.00 C ATOM 787 C LYS A 498 -1.684 -7.582 7.619 1.00 0.00 C ATOM 788 O LYS A 498 -1.069 -8.638 7.494 1.00 0.00 O ATOM 789 CB LYS A 498 -1.116 -5.898 9.373 1.00 0.00 C ATOM 790 CG LYS A 498 0.124 -5.255 9.971 1.00 0.00 C ATOM 791 CD LYS A 498 0.193 -5.472 11.475 1.00 0.00 C ATOM 792 CE LYS A 498 0.844 -6.802 11.816 1.00 0.00 C ATOM 793 NZ LYS A 498 0.162 -7.478 12.955 1.00 0.00 N ATOM 0 H LYS A 498 -1.618 -4.327 7.523 1.00 0.00 H new ATOM 0 HA LYS A 498 0.113 -6.437 7.702 1.00 0.00 H new ATOM 0 HB2 LYS A 498 -1.956 -5.210 9.467 1.00 0.00 H new ATOM 0 HB3 LYS A 498 -1.368 -6.789 9.947 1.00 0.00 H new ATOM 0 HG2 LYS A 498 1.014 -5.672 9.501 1.00 0.00 H new ATOM 0 HG3 LYS A 498 0.121 -4.186 9.756 1.00 0.00 H new ATOM 0 HD2 LYS A 498 0.757 -4.661 11.935 1.00 0.00 H new ATOM 0 HD3 LYS A 498 -0.812 -5.439 11.895 1.00 0.00 H new ATOM 0 HE2 LYS A 498 0.821 -7.452 10.941 1.00 0.00 H new ATOM 0 HE3 LYS A 498 1.893 -6.640 12.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 0.636 -8.382 13.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 0.206 -6.869 13.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 -0.832 -7.656 12.708 1.00 0.00 H new ATOM 807 N ARG A 499 -3.000 -7.506 7.513 1.00 0.00 N ATOM 808 CA ARG A 499 -3.802 -8.689 7.231 1.00 0.00 C ATOM 809 C ARG A 499 -3.777 -9.037 5.743 1.00 0.00 C ATOM 810 O ARG A 499 -4.160 -10.139 5.349 1.00 0.00 O ATOM 811 CB ARG A 499 -5.244 -8.483 7.699 1.00 0.00 C ATOM 812 CG ARG A 499 -6.089 -9.744 7.637 1.00 0.00 C ATOM 813 CD ARG A 499 -7.517 -9.481 8.089 1.00 0.00 C ATOM 814 NE ARG A 499 -8.302 -10.710 8.167 1.00 0.00 N ATOM 815 CZ ARG A 499 -8.726 -11.388 7.103 1.00 0.00 C ATOM 816 NH1 ARG A 499 -8.442 -10.961 5.879 1.00 0.00 N ATOM 817 NH2 ARG A 499 -9.435 -12.497 7.263 1.00 0.00 N ATOM 0 H ARG A 499 -3.535 -6.644 7.617 1.00 0.00 H new ATOM 0 HA ARG A 499 -3.366 -9.523 7.781 1.00 0.00 H new ATOM 0 HB2 ARG A 499 -5.235 -8.112 8.724 1.00 0.00 H new ATOM 0 HB3 ARG A 499 -5.710 -7.713 7.085 1.00 0.00 H new ATOM 0 HG2 ARG A 499 -6.094 -10.130 6.618 1.00 0.00 H new ATOM 0 HG3 ARG A 499 -5.643 -10.514 8.267 1.00 0.00 H new ATOM 0 HD2 ARG A 499 -7.505 -8.996 9.065 1.00 0.00 H new ATOM 0 HD3 ARG A 499 -7.995 -8.789 7.396 1.00 0.00 H new ATOM 0 HE ARG A 499 -8.539 -11.070 9.091 1.00 0.00 H new ATOM 0 HH11 ARG A 499 -7.896 -10.109 5.750 1.00 0.00 H new ATOM 0 HH12 ARG A 499 -8.770 -11.485 5.067 1.00 0.00 H new ATOM 0 HH21 ARG A 499 -9.655 -12.830 8.201 1.00 0.00 H new ATOM 0 HH22 ARG A 499 -9.760 -13.017 6.448 1.00 0.00 H new ATOM 831 N LEU A 500 -3.342 -8.088 4.919 1.00 0.00 N ATOM 832 CA LEU A 500 -3.287 -8.285 3.472 1.00 0.00 C ATOM 833 C LEU A 500 -2.631 -9.611 3.096 1.00 0.00 C ATOM 834 O LEU A 500 -3.038 -10.258 2.131 1.00 0.00 O ATOM 835 CB LEU A 500 -2.550 -7.124 2.803 1.00 0.00 C ATOM 836 CG LEU A 500 -2.528 -7.167 1.274 1.00 0.00 C ATOM 837 CD1 LEU A 500 -3.911 -6.868 0.714 1.00 0.00 C ATOM 838 CD2 LEU A 500 -1.506 -6.182 0.728 1.00 0.00 C ATOM 0 H LEU A 500 -3.021 -7.171 5.229 1.00 0.00 H new ATOM 0 HA LEU A 500 -4.315 -8.315 3.112 1.00 0.00 H new ATOM 0 HB2 LEU A 500 -3.013 -6.189 3.118 1.00 0.00 H new ATOM 0 HB3 LEU A 500 -1.522 -7.109 3.166 1.00 0.00 H new ATOM 0 HG LEU A 500 -2.239 -8.170 0.961 1.00 0.00 H new ATOM 0 HD11 LEU A 500 -3.878 -6.903 -0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 500 -4.620 -7.611 1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 500 -4.227 -5.876 1.036 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -1.504 -6.226 -0.361 1.00 0.00 H new ATOM 0 HD22 LEU A 500 -1.765 -5.173 1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 500 -0.516 -6.440 1.103 1.00 0.00 H new ATOM 850 N ASN A 501 -1.619 -10.009 3.853 1.00 0.00 N ATOM 851 CA ASN A 501 -0.915 -11.260 3.585 1.00 0.00 C ATOM 852 C ASN A 501 -0.524 -11.375 2.108 1.00 0.00 C ATOM 853 O ASN A 501 -0.750 -12.410 1.482 1.00 0.00 O ATOM 854 CB ASN A 501 -1.787 -12.450 3.987 1.00 0.00 C ATOM 855 CG ASN A 501 -1.646 -12.802 5.455 1.00 0.00 C ATOM 856 OD1 ASN A 501 -1.907 -11.832 6.324 1.00 0.00 O flip ATOM 857 ND2 ASN A 501 -1.308 -13.932 5.805 1.00 0.00 N flip ATOM 0 H ASN A 501 -1.266 -9.488 4.656 1.00 0.00 H new ATOM 0 HA ASN A 501 -0.001 -11.264 4.179 1.00 0.00 H new ATOM 0 HB2 ASN A 501 -2.830 -12.222 3.770 1.00 0.00 H new ATOM 0 HB3 ASN A 501 -1.517 -13.315 3.381 1.00 0.00 H new ATOM 0 HD21 ASN A 501 -1.117 -14.647 5.103 1.00 0.00 H new ATOM 0 HD22 ASN A 501 -1.219 -14.153 6.797 1.00 0.00 H new ATOM 864 N PRO A 502 0.069 -10.313 1.527 1.00 0.00 N ATOM 865 CA PRO A 502 0.480 -10.317 0.121 1.00 0.00 C ATOM 866 C PRO A 502 1.793 -11.060 -0.100 1.00 0.00 C ATOM 867 O PRO A 502 2.422 -11.527 0.849 1.00 0.00 O ATOM 868 CB PRO A 502 0.654 -8.832 -0.188 1.00 0.00 C ATOM 869 CG PRO A 502 1.083 -8.236 1.108 1.00 0.00 C ATOM 870 CD PRO A 502 0.383 -9.025 2.184 1.00 0.00 C ATOM 0 HA PRO A 502 -0.243 -10.825 -0.517 1.00 0.00 H new ATOM 0 HB2 PRO A 502 1.400 -8.672 -0.966 1.00 0.00 H new ATOM 0 HB3 PRO A 502 -0.276 -8.387 -0.542 1.00 0.00 H new ATOM 0 HG2 PRO A 502 2.165 -8.294 1.224 1.00 0.00 H new ATOM 0 HG3 PRO A 502 0.813 -7.181 1.160 1.00 0.00 H new ATOM 0 HD2 PRO A 502 1.021 -9.166 3.056 1.00 0.00 H new ATOM 0 HD3 PRO A 502 -0.520 -8.520 2.527 1.00 0.00 H new ATOM 878 N GLU A 503 2.202 -11.162 -1.360 1.00 0.00 N ATOM 879 CA GLU A 503 3.444 -11.843 -1.710 1.00 0.00 C ATOM 880 C GLU A 503 4.505 -10.839 -2.147 1.00 0.00 C ATOM 881 O GLU A 503 4.199 -9.850 -2.813 1.00 0.00 O ATOM 882 CB GLU A 503 3.196 -12.861 -2.825 1.00 0.00 C ATOM 883 CG GLU A 503 2.186 -13.935 -2.455 1.00 0.00 C ATOM 884 CD GLU A 503 2.618 -14.754 -1.255 1.00 0.00 C ATOM 885 OE1 GLU A 503 3.820 -14.725 -0.917 1.00 0.00 O ATOM 886 OE2 GLU A 503 1.754 -15.425 -0.652 1.00 0.00 O ATOM 0 H GLU A 503 1.691 -10.782 -2.157 1.00 0.00 H new ATOM 0 HA GLU A 503 3.806 -12.367 -0.826 1.00 0.00 H new ATOM 0 HB2 GLU A 503 2.846 -12.336 -3.714 1.00 0.00 H new ATOM 0 HB3 GLU A 503 4.141 -13.337 -3.087 1.00 0.00 H new ATOM 0 HG2 GLU A 503 1.225 -13.467 -2.243 1.00 0.00 H new ATOM 0 HG3 GLU A 503 2.037 -14.598 -3.308 1.00 0.00 H new ATOM 893 N ARG A 504 5.751 -11.096 -1.766 1.00 0.00 N ATOM 894 CA ARG A 504 6.854 -10.209 -2.118 1.00 0.00 C ATOM 895 C ARG A 504 7.585 -10.712 -3.359 1.00 0.00 C ATOM 896 O ARG A 504 8.024 -11.862 -3.409 1.00 0.00 O ATOM 897 CB ARG A 504 7.832 -10.086 -0.948 1.00 0.00 C ATOM 898 CG ARG A 504 8.531 -11.390 -0.600 1.00 0.00 C ATOM 899 CD ARG A 504 9.291 -11.280 0.712 1.00 0.00 C ATOM 900 NE ARG A 504 10.074 -12.480 0.994 1.00 0.00 N ATOM 901 CZ ARG A 504 11.255 -12.743 0.439 1.00 0.00 C ATOM 902 NH1 ARG A 504 11.792 -11.893 -0.430 1.00 0.00 N ATOM 903 NH2 ARG A 504 11.902 -13.857 0.751 1.00 0.00 N ATOM 0 H ARG A 504 6.023 -11.910 -1.214 1.00 0.00 H new ATOM 0 HA ARG A 504 6.439 -9.226 -2.339 1.00 0.00 H new ATOM 0 HB2 ARG A 504 8.583 -9.334 -1.191 1.00 0.00 H new ATOM 0 HB3 ARG A 504 7.293 -9.727 -0.071 1.00 0.00 H new ATOM 0 HG2 ARG A 504 7.795 -12.191 -0.530 1.00 0.00 H new ATOM 0 HG3 ARG A 504 9.221 -11.660 -1.400 1.00 0.00 H new ATOM 0 HD2 ARG A 504 9.954 -10.415 0.676 1.00 0.00 H new ATOM 0 HD3 ARG A 504 8.586 -11.108 1.526 1.00 0.00 H new ATOM 0 HE ARG A 504 9.693 -13.157 1.655 1.00 0.00 H new ATOM 0 HH11 ARG A 504 11.299 -11.034 -0.675 1.00 0.00 H new ATOM 0 HH12 ARG A 504 12.697 -12.099 -0.852 1.00 0.00 H new ATOM 0 HH21 ARG A 504 11.495 -14.514 1.417 1.00 0.00 H new ATOM 0 HH22 ARG A 504 12.807 -14.058 0.325 1.00 0.00 H new ATOM 917 N LYS A 505 7.715 -9.844 -4.355 1.00 0.00 N ATOM 918 CA LYS A 505 8.396 -10.197 -5.595 1.00 0.00 C ATOM 919 C LYS A 505 9.378 -9.104 -6.005 1.00 0.00 C ATOM 920 O LYS A 505 9.066 -7.915 -5.928 1.00 0.00 O ATOM 921 CB LYS A 505 7.377 -10.429 -6.713 1.00 0.00 C ATOM 922 CG LYS A 505 6.441 -11.597 -6.451 1.00 0.00 C ATOM 923 CD LYS A 505 5.535 -11.863 -7.642 1.00 0.00 C ATOM 924 CE LYS A 505 4.522 -12.955 -7.337 1.00 0.00 C ATOM 925 NZ LYS A 505 5.139 -14.309 -7.365 1.00 0.00 N ATOM 0 H LYS A 505 7.357 -8.889 -4.328 1.00 0.00 H new ATOM 0 HA LYS A 505 8.954 -11.118 -5.425 1.00 0.00 H new ATOM 0 HB2 LYS A 505 6.785 -9.523 -6.848 1.00 0.00 H new ATOM 0 HB3 LYS A 505 7.909 -10.604 -7.648 1.00 0.00 H new ATOM 0 HG2 LYS A 505 7.025 -12.490 -6.230 1.00 0.00 H new ATOM 0 HG3 LYS A 505 5.834 -11.388 -5.570 1.00 0.00 H new ATOM 0 HD2 LYS A 505 5.012 -10.946 -7.915 1.00 0.00 H new ATOM 0 HD3 LYS A 505 6.138 -12.154 -8.502 1.00 0.00 H new ATOM 0 HE2 LYS A 505 4.081 -12.777 -6.356 1.00 0.00 H new ATOM 0 HE3 LYS A 505 3.711 -12.911 -8.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 4.415 -15.025 -7.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 5.537 -14.489 -8.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 5.896 -14.360 -6.654 1.00 0.00 H new ATOM 939 N MET A 506 10.565 -9.514 -6.440 1.00 0.00 N ATOM 940 CA MET A 506 11.592 -8.568 -6.862 1.00 0.00 C ATOM 941 C MET A 506 11.562 -8.372 -8.374 1.00 0.00 C ATOM 942 O MET A 506 11.902 -9.278 -9.134 1.00 0.00 O ATOM 943 CB MET A 506 12.974 -9.056 -6.426 1.00 0.00 C ATOM 944 CG MET A 506 14.081 -8.041 -6.666 1.00 0.00 C ATOM 945 SD MET A 506 15.721 -8.710 -6.330 1.00 0.00 S ATOM 946 CE MET A 506 15.601 -9.032 -4.573 1.00 0.00 C ATOM 0 H MET A 506 10.839 -10.494 -6.510 1.00 0.00 H new ATOM 0 HA MET A 506 11.386 -7.609 -6.386 1.00 0.00 H new ATOM 0 HB2 MET A 506 12.944 -9.305 -5.365 1.00 0.00 H new ATOM 0 HB3 MET A 506 13.212 -9.975 -6.963 1.00 0.00 H new ATOM 0 HG2 MET A 506 14.037 -7.699 -7.700 1.00 0.00 H new ATOM 0 HG3 MET A 506 13.912 -7.169 -6.034 1.00 0.00 H new ATOM 0 HE1 MET A 506 16.598 -9.193 -4.164 1.00 0.00 H new ATOM 0 HE2 MET A 506 15.139 -8.178 -4.077 1.00 0.00 H new ATOM 0 HE3 MET A 506 14.993 -9.921 -4.407 1.00 0.00 H new ATOM 956 N ILE A 507 11.154 -7.181 -8.803 1.00 0.00 N ATOM 957 CA ILE A 507 11.080 -6.866 -10.224 1.00 0.00 C ATOM 958 C ILE A 507 11.995 -5.696 -10.573 1.00 0.00 C ATOM 959 O ILE A 507 11.829 -4.591 -10.056 1.00 0.00 O ATOM 960 CB ILE A 507 9.639 -6.522 -10.650 1.00 0.00 C ATOM 961 CG1 ILE A 507 8.671 -7.604 -10.168 1.00 0.00 C ATOM 962 CG2 ILE A 507 9.555 -6.364 -12.161 1.00 0.00 C ATOM 963 CD1 ILE A 507 7.220 -7.291 -10.462 1.00 0.00 C ATOM 0 H ILE A 507 10.870 -6.420 -8.187 1.00 0.00 H new ATOM 0 HA ILE A 507 11.407 -7.755 -10.764 1.00 0.00 H new ATOM 0 HB ILE A 507 9.356 -5.575 -10.190 1.00 0.00 H new ATOM 0 HG12 ILE A 507 8.933 -8.551 -10.640 1.00 0.00 H new ATOM 0 HG13 ILE A 507 8.795 -7.738 -9.093 1.00 0.00 H new ATOM 0 HG21 ILE A 507 8.531 -6.121 -12.445 1.00 0.00 H new ATOM 0 HG22 ILE A 507 10.220 -5.562 -12.480 1.00 0.00 H new ATOM 0 HG23 ILE A 507 9.854 -7.296 -12.641 1.00 0.00 H new ATOM 0 HD11 ILE A 507 6.591 -8.101 -10.093 1.00 0.00 H new ATOM 0 HD12 ILE A 507 6.941 -6.361 -9.967 1.00 0.00 H new ATOM 0 HD13 ILE A 507 7.081 -7.186 -11.538 1.00 0.00 H new ATOM 975 N ASN A 508 12.961 -5.946 -11.450 1.00 0.00 N ATOM 976 CA ASN A 508 13.903 -4.912 -11.867 1.00 0.00 C ATOM 977 C ASN A 508 14.644 -4.335 -10.664 1.00 0.00 C ATOM 978 O ASN A 508 14.823 -3.122 -10.554 1.00 0.00 O ATOM 979 CB ASN A 508 13.170 -3.797 -12.615 1.00 0.00 C ATOM 980 CG ASN A 508 12.805 -4.193 -14.033 1.00 0.00 C ATOM 981 OD1 ASN A 508 11.959 -5.208 -14.164 1.00 0.00 O flip ATOM 982 ND2 ASN A 508 13.279 -3.594 -14.998 1.00 0.00 N flip ATOM 0 H ASN A 508 13.113 -6.855 -11.886 1.00 0.00 H new ATOM 0 HA ASN A 508 14.633 -5.368 -12.536 1.00 0.00 H new ATOM 0 HB2 ASN A 508 12.264 -3.533 -12.070 1.00 0.00 H new ATOM 0 HB3 ASN A 508 13.798 -2.906 -12.640 1.00 0.00 H new ATOM 0 HD21 ASN A 508 13.926 -2.819 -14.850 1.00 0.00 H new ATOM 0 HD22 ASN A 508 13.025 -3.872 -15.946 1.00 0.00 H new ATOM 989 N ASP A 509 15.073 -5.214 -9.764 1.00 0.00 N ATOM 990 CA ASP A 509 15.795 -4.794 -8.569 1.00 0.00 C ATOM 991 C ASP A 509 14.930 -3.882 -7.703 1.00 0.00 C ATOM 992 O ASP A 509 15.424 -2.931 -7.098 1.00 0.00 O ATOM 993 CB ASP A 509 17.088 -4.076 -8.953 1.00 0.00 C ATOM 994 CG ASP A 509 18.068 -4.988 -9.667 1.00 0.00 C ATOM 995 OD1 ASP A 509 17.904 -6.222 -9.573 1.00 0.00 O ATOM 996 OD2 ASP A 509 18.997 -4.468 -10.318 1.00 0.00 O ATOM 0 H ASP A 509 14.933 -6.222 -9.840 1.00 0.00 H new ATOM 0 HA ASP A 509 16.042 -5.686 -7.993 1.00 0.00 H new ATOM 0 HB2 ASP A 509 16.852 -3.228 -9.595 1.00 0.00 H new ATOM 0 HB3 ASP A 509 17.558 -3.675 -8.055 1.00 0.00 H new ATOM 1001 N LYS A 510 13.636 -4.180 -7.650 1.00 0.00 N ATOM 1002 CA LYS A 510 12.699 -3.390 -6.859 1.00 0.00 C ATOM 1003 C LYS A 510 11.705 -4.291 -6.134 1.00 0.00 C ATOM 1004 O LYS A 510 11.392 -5.386 -6.601 1.00 0.00 O ATOM 1005 CB LYS A 510 11.951 -2.399 -7.754 1.00 0.00 C ATOM 1006 CG LYS A 510 12.864 -1.441 -8.500 1.00 0.00 C ATOM 1007 CD LYS A 510 13.561 -0.482 -7.550 1.00 0.00 C ATOM 1008 CE LYS A 510 14.357 0.571 -8.305 1.00 0.00 C ATOM 1009 NZ LYS A 510 13.478 1.628 -8.876 1.00 0.00 N ATOM 0 H LYS A 510 13.212 -4.964 -8.146 1.00 0.00 H new ATOM 0 HA LYS A 510 13.269 -2.835 -6.114 1.00 0.00 H new ATOM 0 HB2 LYS A 510 11.354 -2.955 -8.477 1.00 0.00 H new ATOM 0 HB3 LYS A 510 11.257 -1.823 -7.142 1.00 0.00 H new ATOM 0 HG2 LYS A 510 13.609 -2.008 -9.058 1.00 0.00 H new ATOM 0 HG3 LYS A 510 12.283 -0.875 -9.228 1.00 0.00 H new ATOM 0 HD2 LYS A 510 12.821 0.006 -6.916 1.00 0.00 H new ATOM 0 HD3 LYS A 510 14.227 -1.040 -6.892 1.00 0.00 H new ATOM 0 HE2 LYS A 510 15.084 1.027 -7.633 1.00 0.00 H new ATOM 0 HE3 LYS A 510 14.920 0.094 -9.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 14.062 2.344 -9.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 12.823 1.202 -9.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 12.934 2.078 -8.112 1.00 0.00 H new ATOM 1023 N MET A 511 11.211 -3.823 -4.993 1.00 0.00 N ATOM 1024 CA MET A 511 10.252 -4.590 -4.206 1.00 0.00 C ATOM 1025 C MET A 511 8.829 -4.354 -4.703 1.00 0.00 C ATOM 1026 O MET A 511 8.372 -3.214 -4.791 1.00 0.00 O ATOM 1027 CB MET A 511 10.356 -4.212 -2.727 1.00 0.00 C ATOM 1028 CG MET A 511 11.691 -4.578 -2.099 1.00 0.00 C ATOM 1029 SD MET A 511 11.729 -4.271 -0.322 1.00 0.00 S ATOM 1030 CE MET A 511 13.449 -4.612 0.043 1.00 0.00 C ATOM 0 H MET A 511 11.458 -2.918 -4.593 1.00 0.00 H new ATOM 0 HA MET A 511 10.488 -5.648 -4.321 1.00 0.00 H new ATOM 0 HB2 MET A 511 10.197 -3.139 -2.623 1.00 0.00 H new ATOM 0 HB3 MET A 511 9.557 -4.708 -2.177 1.00 0.00 H new ATOM 0 HG2 MET A 511 11.900 -5.631 -2.287 1.00 0.00 H new ATOM 0 HG3 MET A 511 12.484 -4.005 -2.580 1.00 0.00 H new ATOM 0 HE1 MET A 511 13.631 -4.466 1.108 1.00 0.00 H new ATOM 0 HE2 MET A 511 13.681 -5.642 -0.226 1.00 0.00 H new ATOM 0 HE3 MET A 511 14.084 -3.936 -0.530 1.00 0.00 H new ATOM 1040 N HIS A 512 8.133 -5.439 -5.025 1.00 0.00 N ATOM 1041 CA HIS A 512 6.762 -5.351 -5.513 1.00 0.00 C ATOM 1042 C HIS A 512 5.858 -6.338 -4.781 1.00 0.00 C ATOM 1043 O HIS A 512 6.289 -7.428 -4.406 1.00 0.00 O ATOM 1044 CB HIS A 512 6.715 -5.620 -7.018 1.00 0.00 C ATOM 1045 CG HIS A 512 7.250 -4.494 -7.845 1.00 0.00 C ATOM 1046 ND1 HIS A 512 8.552 -4.445 -8.299 1.00 0.00 N ATOM 1047 CD2 HIS A 512 6.652 -3.369 -8.305 1.00 0.00 C ATOM 1048 CE1 HIS A 512 8.731 -3.339 -9.000 1.00 0.00 C ATOM 1049 NE2 HIS A 512 7.594 -2.670 -9.019 1.00 0.00 N ATOM 0 H HIS A 512 8.496 -6.390 -4.957 1.00 0.00 H new ATOM 0 HA HIS A 512 6.400 -4.341 -5.319 1.00 0.00 H new ATOM 0 HB2 HIS A 512 7.286 -6.523 -7.235 1.00 0.00 H new ATOM 0 HB3 HIS A 512 5.684 -5.817 -7.311 1.00 0.00 H new ATOM 0 HD2 HIS A 512 5.625 -3.076 -8.141 1.00 0.00 H new ATOM 0 HE1 HIS A 512 9.651 -3.035 -9.476 1.00 0.00 H new ATOM 0 HE2 HIS A 512 7.440 -1.778 -9.488 1.00 0.00 H new ATOM 1058 N PHE A 513 4.604 -5.947 -4.580 1.00 0.00 N ATOM 1059 CA PHE A 513 3.638 -6.797 -3.893 1.00 0.00 C ATOM 1060 C PHE A 513 2.565 -7.287 -4.860 1.00 0.00 C ATOM 1061 O PHE A 513 2.086 -6.532 -5.705 1.00 0.00 O ATOM 1062 CB PHE A 513 2.992 -6.037 -2.733 1.00 0.00 C ATOM 1063 CG PHE A 513 3.967 -5.638 -1.663 1.00 0.00 C ATOM 1064 CD1 PHE A 513 4.754 -4.507 -1.811 1.00 0.00 C ATOM 1065 CD2 PHE A 513 4.096 -6.393 -0.508 1.00 0.00 C ATOM 1066 CE1 PHE A 513 5.652 -4.137 -0.828 1.00 0.00 C ATOM 1067 CE2 PHE A 513 4.993 -6.029 0.478 1.00 0.00 C ATOM 1068 CZ PHE A 513 5.772 -4.900 0.318 1.00 0.00 C ATOM 0 H PHE A 513 4.233 -5.047 -4.883 1.00 0.00 H new ATOM 0 HA PHE A 513 4.168 -7.663 -3.497 1.00 0.00 H new ATOM 0 HB2 PHE A 513 2.504 -5.143 -3.121 1.00 0.00 H new ATOM 0 HB3 PHE A 513 2.213 -6.658 -2.291 1.00 0.00 H new ATOM 0 HD1 PHE A 513 4.664 -3.908 -2.705 1.00 0.00 H new ATOM 0 HD2 PHE A 513 3.488 -7.276 -0.377 1.00 0.00 H new ATOM 0 HE1 PHE A 513 6.259 -3.253 -0.955 1.00 0.00 H new ATOM 0 HE2 PHE A 513 5.085 -6.627 1.373 1.00 0.00 H new ATOM 0 HZ PHE A 513 6.474 -4.614 1.087 1.00 0.00 H new ATOM 1078 N SER A 514 2.190 -8.556 -4.729 1.00 0.00 N ATOM 1079 CA SER A 514 1.175 -9.146 -5.593 1.00 0.00 C ATOM 1080 C SER A 514 0.004 -9.678 -4.772 1.00 0.00 C ATOM 1081 O SER A 514 0.150 -9.984 -3.589 1.00 0.00 O ATOM 1082 CB SER A 514 1.780 -10.274 -6.430 1.00 0.00 C ATOM 1083 OG SER A 514 2.202 -11.350 -5.609 1.00 0.00 O ATOM 0 H SER A 514 2.574 -9.195 -4.033 1.00 0.00 H new ATOM 0 HA SER A 514 0.804 -8.367 -6.260 1.00 0.00 H new ATOM 0 HB2 SER A 514 1.045 -10.630 -7.152 1.00 0.00 H new ATOM 0 HB3 SER A 514 2.628 -9.893 -7.000 1.00 0.00 H new ATOM 0 HG SER A 514 1.980 -12.200 -6.044 1.00 0.00 H new ATOM 1089 N LEU A 515 -1.157 -9.786 -5.409 1.00 0.00 N ATOM 1090 CA LEU A 515 -2.354 -10.280 -4.739 1.00 0.00 C ATOM 1091 C LEU A 515 -3.240 -11.056 -5.707 1.00 0.00 C ATOM 1092 O LEU A 515 -3.379 -10.684 -6.872 1.00 0.00 O ATOM 1093 CB LEU A 515 -3.137 -9.115 -4.128 1.00 0.00 C ATOM 1094 CG LEU A 515 -2.993 -8.964 -2.613 1.00 0.00 C ATOM 1095 CD1 LEU A 515 -2.961 -7.495 -2.223 1.00 0.00 C ATOM 1096 CD2 LEU A 515 -4.127 -9.683 -1.896 1.00 0.00 C ATOM 0 H LEU A 515 -1.294 -9.538 -6.389 1.00 0.00 H new ATOM 0 HA LEU A 515 -2.043 -10.956 -3.943 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -2.812 -8.189 -4.603 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -4.193 -9.242 -4.367 1.00 0.00 H new ATOM 0 HG LEU A 515 -2.050 -9.419 -2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -2.858 -7.408 -1.141 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -2.115 -7.008 -2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -3.887 -7.014 -2.539 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -4.009 -9.565 -0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -5.081 -9.257 -2.205 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -4.104 -10.743 -2.150 1.00 0.00 H new ATOM 1108 N LYS A 516 -3.839 -12.137 -5.218 1.00 0.00 N ATOM 1109 CA LYS A 516 -4.714 -12.965 -6.039 1.00 0.00 C ATOM 1110 C LYS A 516 -6.022 -13.260 -5.313 1.00 0.00 C ATOM 1111 O LYS A 516 -6.026 -13.863 -4.239 1.00 0.00 O ATOM 1112 CB LYS A 516 -4.013 -14.274 -6.410 1.00 0.00 C ATOM 1113 CG LYS A 516 -3.715 -15.166 -5.215 1.00 0.00 C ATOM 1114 CD LYS A 516 -2.860 -16.359 -5.612 1.00 0.00 C ATOM 1115 CE LYS A 516 -2.805 -17.398 -4.503 1.00 0.00 C ATOM 1116 NZ LYS A 516 -1.806 -17.042 -3.457 1.00 0.00 N ATOM 0 H LYS A 516 -3.734 -12.460 -4.256 1.00 0.00 H new ATOM 0 HA LYS A 516 -4.943 -12.415 -6.951 1.00 0.00 H new ATOM 0 HB2 LYS A 516 -4.637 -14.823 -7.116 1.00 0.00 H new ATOM 0 HB3 LYS A 516 -3.079 -14.043 -6.922 1.00 0.00 H new ATOM 0 HG2 LYS A 516 -3.201 -14.588 -4.447 1.00 0.00 H new ATOM 0 HG3 LYS A 516 -4.650 -15.516 -4.778 1.00 0.00 H new ATOM 0 HD2 LYS A 516 -3.264 -16.812 -6.517 1.00 0.00 H new ATOM 0 HD3 LYS A 516 -1.850 -16.022 -5.847 1.00 0.00 H new ATOM 0 HE2 LYS A 516 -3.790 -17.494 -4.046 1.00 0.00 H new ATOM 0 HE3 LYS A 516 -2.555 -18.370 -4.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 -1.799 -17.775 -2.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 -0.862 -16.975 -3.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 -2.059 -16.127 -3.033 1.00 0.00 H new ATOM 1130 N GLU A 517 -7.131 -12.830 -5.905 1.00 0.00 N ATOM 1131 CA GLU A 517 -8.446 -13.048 -5.315 1.00 0.00 C ATOM 1132 C GLU A 517 -9.110 -14.287 -5.907 1.00 0.00 C ATOM 1133 O GLU A 517 -8.668 -14.737 -6.985 1.00 0.00 O ATOM 1134 CB GLU A 517 -9.336 -11.823 -5.536 1.00 0.00 C ATOM 1135 CG GLU A 517 -10.686 -11.918 -4.840 1.00 0.00 C ATOM 1136 CD GLU A 517 -11.590 -10.742 -5.154 1.00 0.00 C ATOM 1137 OE1 GLU A 517 -11.180 -9.872 -5.952 1.00 0.00 O ATOM 1138 OE2 GLU A 517 -12.708 -10.690 -4.601 1.00 0.00 O ATOM 1139 OXT GLU A 517 -10.068 -14.798 -5.288 1.00 0.00 O ATOM 0 H GLU A 517 -7.145 -12.328 -6.793 1.00 0.00 H new ATOM 0 HA GLU A 517 -8.315 -13.205 -4.244 1.00 0.00 H new ATOM 0 HB2 GLU A 517 -8.814 -10.936 -5.178 1.00 0.00 H new ATOM 0 HB3 GLU A 517 -9.497 -11.689 -6.606 1.00 0.00 H new ATOM 0 HG2 GLU A 517 -11.181 -12.842 -5.140 1.00 0.00 H new ATOM 0 HG3 GLU A 517 -10.532 -11.975 -3.762 1.00 0.00 H new ATOM 1187 N GLU B 945 9.087 13.803 3.501 1.00 0.00 N ATOM 1188 CA GLU B 945 7.929 13.438 4.309 1.00 0.00 C ATOM 1189 C GLU B 945 7.163 12.284 3.671 1.00 0.00 C ATOM 1190 O GLU B 945 6.632 11.419 4.368 1.00 0.00 O ATOM 1191 CB GLU B 945 7.004 14.644 4.484 1.00 0.00 C ATOM 1192 CG GLU B 945 7.632 15.784 5.270 1.00 0.00 C ATOM 1193 CD GLU B 945 6.677 16.943 5.484 1.00 0.00 C ATOM 1194 OE1 GLU B 945 5.614 16.966 4.828 1.00 0.00 O ATOM 1195 OE2 GLU B 945 6.993 17.827 6.307 1.00 0.00 O ATOM 0 HA GLU B 945 8.286 13.117 5.288 1.00 0.00 H new ATOM 0 HB2 GLU B 945 6.709 15.011 3.501 1.00 0.00 H new ATOM 0 HB3 GLU B 945 6.094 14.323 4.990 1.00 0.00 H new ATOM 0 HG2 GLU B 945 7.967 15.411 6.238 1.00 0.00 H new ATOM 0 HG3 GLU B 945 8.517 16.140 4.742 1.00 0.00 H new ATOM 1202 N ALA B 946 7.109 12.277 2.343 1.00 0.00 N ATOM 1203 CA ALA B 946 6.407 11.229 1.614 1.00 0.00 C ATOM 1204 C ALA B 946 7.055 9.868 1.847 1.00 0.00 C ATOM 1205 O ALA B 946 6.367 8.869 2.057 1.00 0.00 O ATOM 1206 CB ALA B 946 6.375 11.552 0.128 1.00 0.00 C ATOM 0 H ALA B 946 7.543 12.985 1.751 1.00 0.00 H new ATOM 0 HA ALA B 946 5.384 11.183 1.988 1.00 0.00 H new ATOM 0 HB1 ALA B 946 5.848 10.761 -0.405 1.00 0.00 H new ATOM 0 HB2 ALA B 946 5.860 12.500 -0.027 1.00 0.00 H new ATOM 0 HB3 ALA B 946 7.395 11.627 -0.250 1.00 0.00 H new ATOM 1212 N ASP B 947 8.383 9.836 1.810 1.00 0.00 N ATOM 1213 CA ASP B 947 9.125 8.598 2.018 1.00 0.00 C ATOM 1214 C ASP B 947 8.836 8.017 3.399 1.00 0.00 C ATOM 1215 O ASP B 947 8.695 6.804 3.556 1.00 0.00 O ATOM 1216 CB ASP B 947 10.626 8.844 1.860 1.00 0.00 C ATOM 1217 CG ASP B 947 11.428 7.557 1.881 1.00 0.00 C ATOM 1218 OD1 ASP B 947 11.543 6.911 0.818 1.00 0.00 O ATOM 1219 OD2 ASP B 947 11.941 7.197 2.960 1.00 0.00 O ATOM 0 H ASP B 947 8.968 10.654 1.638 1.00 0.00 H new ATOM 0 HA ASP B 947 8.801 7.879 1.265 1.00 0.00 H new ATOM 0 HB2 ASP B 947 10.809 9.368 0.922 1.00 0.00 H new ATOM 0 HB3 ASP B 947 10.971 9.497 2.662 1.00 0.00 H new ATOM 1224 N GLU B 948 8.748 8.891 4.396 1.00 0.00 N ATOM 1225 CA GLU B 948 8.476 8.465 5.764 1.00 0.00 C ATOM 1226 C GLU B 948 7.102 7.811 5.867 1.00 0.00 C ATOM 1227 O GLU B 948 6.928 6.819 6.575 1.00 0.00 O ATOM 1228 CB GLU B 948 8.558 9.659 6.718 1.00 0.00 C ATOM 1229 CG GLU B 948 8.400 9.280 8.181 1.00 0.00 C ATOM 1230 CD GLU B 948 9.594 8.513 8.716 1.00 0.00 C ATOM 1231 OE1 GLU B 948 10.700 8.673 8.159 1.00 0.00 O ATOM 1232 OE2 GLU B 948 9.422 7.753 9.692 1.00 0.00 O ATOM 0 H GLU B 948 8.861 9.898 4.282 1.00 0.00 H new ATOM 0 HA GLU B 948 9.230 7.730 6.046 1.00 0.00 H new ATOM 0 HB2 GLU B 948 9.518 10.157 6.582 1.00 0.00 H new ATOM 0 HB3 GLU B 948 7.785 10.380 6.452 1.00 0.00 H new ATOM 0 HG2 GLU B 948 8.258 10.184 8.774 1.00 0.00 H new ATOM 0 HG3 GLU B 948 7.501 8.676 8.301 1.00 0.00 H new ATOM 1239 N MET B 949 6.131 8.372 5.154 1.00 0.00 N ATOM 1240 CA MET B 949 4.772 7.841 5.165 1.00 0.00 C ATOM 1241 C MET B 949 4.743 6.407 4.646 1.00 0.00 C ATOM 1242 O MET B 949 4.017 5.562 5.168 1.00 0.00 O ATOM 1243 CB MET B 949 3.853 8.721 4.315 1.00 0.00 C ATOM 1244 CG MET B 949 3.649 10.116 4.884 1.00 0.00 C ATOM 1245 SD MET B 949 2.492 11.099 3.910 1.00 0.00 S ATOM 1246 CE MET B 949 0.947 10.272 4.279 1.00 0.00 C ATOM 0 H MET B 949 6.259 9.193 4.562 1.00 0.00 H new ATOM 0 HA MET B 949 4.416 7.842 6.195 1.00 0.00 H new ATOM 0 HB2 MET B 949 4.270 8.804 3.311 1.00 0.00 H new ATOM 0 HB3 MET B 949 2.884 8.232 4.218 1.00 0.00 H new ATOM 0 HG2 MET B 949 3.282 10.037 5.907 1.00 0.00 H new ATOM 0 HG3 MET B 949 4.609 10.630 4.929 1.00 0.00 H new ATOM 0 HE1 MET B 949 0.381 10.130 3.358 1.00 0.00 H new ATOM 0 HE2 MET B 949 1.153 9.302 4.732 1.00 0.00 H new ATOM 0 HE3 MET B 949 0.365 10.880 4.972 1.00 0.00 H new ATOM 1256 N ALA B 950 5.539 6.140 3.616 1.00 0.00 N ATOM 1257 CA ALA B 950 5.606 4.809 3.026 1.00 0.00 C ATOM 1258 C ALA B 950 6.557 3.909 3.806 1.00 0.00 C ATOM 1259 O ALA B 950 6.348 2.699 3.897 1.00 0.00 O ATOM 1260 CB ALA B 950 6.037 4.900 1.570 1.00 0.00 C ATOM 0 H ALA B 950 6.147 6.829 3.173 1.00 0.00 H new ATOM 0 HA ALA B 950 4.611 4.367 3.073 1.00 0.00 H new ATOM 0 HB1 ALA B 950 6.083 3.899 1.141 1.00 0.00 H new ATOM 0 HB2 ALA B 950 5.317 5.500 1.014 1.00 0.00 H new ATOM 0 HB3 ALA B 950 7.021 5.366 1.510 1.00 0.00 H new ATOM 1266 N LYS B 951 7.604 4.505 4.367 1.00 0.00 N ATOM 1267 CA LYS B 951 8.589 3.756 5.139 1.00 0.00 C ATOM 1268 C LYS B 951 7.929 3.035 6.311 1.00 0.00 C ATOM 1269 O LYS B 951 8.232 1.875 6.590 1.00 0.00 O ATOM 1270 CB LYS B 951 9.685 4.690 5.652 1.00 0.00 C ATOM 1271 CG LYS B 951 10.819 3.968 6.360 1.00 0.00 C ATOM 1272 CD LYS B 951 11.931 4.927 6.753 1.00 0.00 C ATOM 1273 CE LYS B 951 11.494 5.856 7.874 1.00 0.00 C ATOM 1274 NZ LYS B 951 11.960 5.380 9.206 1.00 0.00 N ATOM 0 H LYS B 951 7.792 5.505 4.301 1.00 0.00 H new ATOM 0 HA LYS B 951 9.036 3.010 4.482 1.00 0.00 H new ATOM 0 HB2 LYS B 951 10.092 5.253 4.813 1.00 0.00 H new ATOM 0 HB3 LYS B 951 9.243 5.413 6.337 1.00 0.00 H new ATOM 0 HG2 LYS B 951 10.435 3.470 7.250 1.00 0.00 H new ATOM 0 HG3 LYS B 951 11.220 3.192 5.709 1.00 0.00 H new ATOM 0 HD2 LYS B 951 12.807 4.360 7.069 1.00 0.00 H new ATOM 0 HD3 LYS B 951 12.228 5.516 5.886 1.00 0.00 H new ATOM 0 HE2 LYS B 951 11.885 6.856 7.689 1.00 0.00 H new ATOM 0 HE3 LYS B 951 10.407 5.934 7.877 1.00 0.00 H new ATOM 0 HZ1 LYS B 951 11.641 6.042 9.942 1.00 0.00 H new ATOM 0 HZ2 LYS B 951 11.566 4.436 9.395 1.00 0.00 H new ATOM 0 HZ3 LYS B 951 12.999 5.329 9.213 1.00 0.00 H new ATOM 1288 N ALA B 952 7.025 3.731 6.994 1.00 0.00 N ATOM 1289 CA ALA B 952 6.323 3.157 8.135 1.00 0.00 C ATOM 1290 C ALA B 952 5.403 2.022 7.698 1.00 0.00 C ATOM 1291 O ALA B 952 5.306 0.995 8.369 1.00 0.00 O ATOM 1292 CB ALA B 952 5.528 4.232 8.861 1.00 0.00 C ATOM 0 H ALA B 952 6.762 4.692 6.777 1.00 0.00 H new ATOM 0 HA ALA B 952 7.066 2.746 8.818 1.00 0.00 H new ATOM 0 HB1 ALA B 952 5.009 3.789 9.711 1.00 0.00 H new ATOM 0 HB2 ALA B 952 6.206 5.009 9.215 1.00 0.00 H new ATOM 0 HB3 ALA B 952 4.799 4.669 8.178 1.00 0.00 H new ATOM 1298 N LEU B 953 4.730 2.216 6.568 1.00 0.00 N ATOM 1299 CA LEU B 953 3.817 1.211 6.039 1.00 0.00 C ATOM 1300 C LEU B 953 4.560 -0.071 5.676 1.00 0.00 C ATOM 1301 O LEU B 953 4.050 -1.174 5.873 1.00 0.00 O ATOM 1302 CB LEU B 953 3.087 1.755 4.809 1.00 0.00 C ATOM 1303 CG LEU B 953 2.038 0.818 4.210 1.00 0.00 C ATOM 1304 CD1 LEU B 953 0.962 1.615 3.489 1.00 0.00 C ATOM 1305 CD2 LEU B 953 2.694 -0.177 3.265 1.00 0.00 C ATOM 0 H LEU B 953 4.800 3.061 6.001 1.00 0.00 H new ATOM 0 HA LEU B 953 3.089 0.977 6.815 1.00 0.00 H new ATOM 0 HB2 LEU B 953 2.602 2.693 5.079 1.00 0.00 H new ATOM 0 HB3 LEU B 953 3.825 1.987 4.041 1.00 0.00 H new ATOM 0 HG LEU B 953 1.566 0.262 5.020 1.00 0.00 H new ATOM 0 HD11 LEU B 953 0.224 0.932 3.069 1.00 0.00 H new ATOM 0 HD12 LEU B 953 0.474 2.288 4.194 1.00 0.00 H new ATOM 0 HD13 LEU B 953 1.416 2.197 2.687 1.00 0.00 H new ATOM 0 HD21 LEU B 953 1.934 -0.837 2.847 1.00 0.00 H new ATOM 0 HD22 LEU B 953 3.191 0.361 2.458 1.00 0.00 H new ATOM 0 HD23 LEU B 953 3.428 -0.769 3.812 1.00 0.00 H new ATOM 1317 N GLU B 954 5.768 0.082 5.141 1.00 0.00 N ATOM 1318 CA GLU B 954 6.580 -1.064 4.747 1.00 0.00 C ATOM 1319 C GLU B 954 6.930 -1.931 5.953 1.00 0.00 C ATOM 1320 O GLU B 954 6.843 -3.157 5.893 1.00 0.00 O ATOM 1321 CB GLU B 954 7.862 -0.593 4.058 1.00 0.00 C ATOM 1322 CG GLU B 954 7.629 0.003 2.680 1.00 0.00 C ATOM 1323 CD GLU B 954 8.915 0.441 2.006 1.00 0.00 C ATOM 1324 OE1 GLU B 954 9.953 0.512 2.696 1.00 0.00 O ATOM 1325 OE2 GLU B 954 8.883 0.713 0.787 1.00 0.00 O ATOM 0 H GLU B 954 6.205 0.988 4.971 1.00 0.00 H new ATOM 0 HA GLU B 954 5.996 -1.665 4.050 1.00 0.00 H new ATOM 0 HB2 GLU B 954 8.351 0.150 4.688 1.00 0.00 H new ATOM 0 HB3 GLU B 954 8.547 -1.436 3.969 1.00 0.00 H new ATOM 0 HG2 GLU B 954 7.126 -0.732 2.051 1.00 0.00 H new ATOM 0 HG3 GLU B 954 6.960 0.859 2.767 1.00 0.00 H new ATOM 1332 N ALA B 955 7.326 -1.287 7.045 1.00 0.00 N ATOM 1333 CA ALA B 955 7.692 -2.001 8.263 1.00 0.00 C ATOM 1334 C ALA B 955 6.502 -2.757 8.843 1.00 0.00 C ATOM 1335 O ALA B 955 6.664 -3.805 9.468 1.00 0.00 O ATOM 1336 CB ALA B 955 8.256 -1.031 9.291 1.00 0.00 C ATOM 0 H ALA B 955 7.402 -0.272 7.112 1.00 0.00 H new ATOM 0 HA ALA B 955 8.458 -2.733 8.007 1.00 0.00 H new ATOM 0 HB1 ALA B 955 8.526 -1.576 10.196 1.00 0.00 H new ATOM 0 HB2 ALA B 955 9.142 -0.543 8.884 1.00 0.00 H new ATOM 0 HB3 ALA B 955 7.505 -0.278 9.531 1.00 0.00 H new ATOM 1342 N GLU B 956 5.305 -2.216 8.637 1.00 0.00 N ATOM 1343 CA GLU B 956 4.088 -2.840 9.144 1.00 0.00 C ATOM 1344 C GLU B 956 3.855 -4.202 8.497 1.00 0.00 C ATOM 1345 O GLU B 956 3.432 -5.149 9.159 1.00 0.00 O ATOM 1346 CB GLU B 956 2.884 -1.930 8.895 1.00 0.00 C ATOM 1347 CG GLU B 956 2.889 -0.668 9.741 1.00 0.00 C ATOM 1348 CD GLU B 956 2.740 -0.958 11.222 1.00 0.00 C ATOM 1349 OE1 GLU B 956 2.318 -2.082 11.568 1.00 0.00 O ATOM 1350 OE2 GLU B 956 3.044 -0.061 12.036 1.00 0.00 O ATOM 0 H GLU B 956 5.152 -1.348 8.123 1.00 0.00 H new ATOM 0 HA GLU B 956 4.209 -2.989 10.217 1.00 0.00 H new ATOM 0 HB2 GLU B 956 2.862 -1.651 7.842 1.00 0.00 H new ATOM 0 HB3 GLU B 956 1.970 -2.488 9.096 1.00 0.00 H new ATOM 0 HG2 GLU B 956 3.819 -0.126 9.573 1.00 0.00 H new ATOM 0 HG3 GLU B 956 2.077 -0.016 9.419 1.00 0.00 H new ATOM 1357 N LEU B 957 4.132 -4.294 7.200 1.00 0.00 N ATOM 1358 CA LEU B 957 3.948 -5.543 6.469 1.00 0.00 C ATOM 1359 C LEU B 957 5.275 -6.274 6.267 1.00 0.00 C ATOM 1360 O LEU B 957 5.297 -7.424 5.829 1.00 0.00 O ATOM 1361 CB LEU B 957 3.284 -5.278 5.114 1.00 0.00 C ATOM 1362 CG LEU B 957 2.387 -6.407 4.601 1.00 0.00 C ATOM 1363 CD1 LEU B 957 1.347 -6.783 5.645 1.00 0.00 C ATOM 1364 CD2 LEU B 957 1.709 -6.002 3.300 1.00 0.00 C ATOM 0 H LEU B 957 4.484 -3.521 6.635 1.00 0.00 H new ATOM 0 HA LEU B 957 3.298 -6.182 7.067 1.00 0.00 H new ATOM 0 HB2 LEU B 957 2.689 -4.368 5.190 1.00 0.00 H new ATOM 0 HB3 LEU B 957 4.063 -5.089 4.375 1.00 0.00 H new ATOM 0 HG LEU B 957 3.013 -7.279 4.409 1.00 0.00 H new ATOM 0 HD11 LEU B 957 0.720 -7.587 5.260 1.00 0.00 H new ATOM 0 HD12 LEU B 957 1.848 -7.116 6.554 1.00 0.00 H new ATOM 0 HD13 LEU B 957 0.727 -5.915 5.870 1.00 0.00 H new ATOM 0 HD21 LEU B 957 1.075 -6.817 2.951 1.00 0.00 H new ATOM 0 HD22 LEU B 957 1.099 -5.115 3.469 1.00 0.00 H new ATOM 0 HD23 LEU B 957 2.467 -5.783 2.548 1.00 0.00 H new ATOM 1376 N ASN B 958 6.384 -5.607 6.586 1.00 0.00 N ATOM 1377 CA ASN B 958 7.705 -6.207 6.433 1.00 0.00 C ATOM 1378 C ASN B 958 7.782 -7.547 7.159 1.00 0.00 C ATOM 1379 O ASN B 958 8.347 -8.512 6.644 1.00 0.00 O ATOM 1380 CB ASN B 958 8.784 -5.263 6.968 1.00 0.00 C ATOM 1381 CG ASN B 958 10.184 -5.745 6.648 1.00 0.00 C ATOM 1382 OD1 ASN B 958 10.563 -5.860 5.482 1.00 0.00 O ATOM 1383 ND2 ASN B 958 10.963 -6.031 7.685 1.00 0.00 N ATOM 0 H ASN B 958 6.392 -4.654 6.951 1.00 0.00 H new ATOM 0 HA ASN B 958 7.876 -6.378 5.370 1.00 0.00 H new ATOM 0 HB2 ASN B 958 8.638 -4.270 6.542 1.00 0.00 H new ATOM 0 HB3 ASN B 958 8.674 -5.165 8.048 1.00 0.00 H new ATOM 0 HD21 ASN B 958 11.916 -6.360 7.531 1.00 0.00 H new ATOM 0 HD22 ASN B 958 10.608 -5.921 8.635 1.00 0.00 H new ATOM 1390 N ASP B 959 7.208 -7.600 8.356 1.00 0.00 N ATOM 1391 CA ASP B 959 7.207 -8.823 9.149 1.00 0.00 C ATOM 1392 C ASP B 959 6.329 -9.887 8.498 1.00 0.00 C ATOM 1393 O ASP B 959 6.622 -11.081 8.574 1.00 0.00 O ATOM 1394 CB ASP B 959 6.712 -8.536 10.569 1.00 0.00 C ATOM 1395 CG ASP B 959 7.650 -7.623 11.335 1.00 0.00 C ATOM 1396 OD1 ASP B 959 8.812 -7.472 10.906 1.00 0.00 O ATOM 1397 OD2 ASP B 959 7.219 -7.059 12.363 1.00 0.00 O ATOM 0 H ASP B 959 6.738 -6.810 8.798 1.00 0.00 H new ATOM 0 HA ASP B 959 8.229 -9.197 9.198 1.00 0.00 H new ATOM 0 HB2 ASP B 959 5.724 -8.079 10.521 1.00 0.00 H new ATOM 0 HB3 ASP B 959 6.603 -9.476 11.110 1.00 0.00 H new ATOM 1402 N LEU B 960 5.254 -9.443 7.856 1.00 0.00 N ATOM 1403 CA LEU B 960 4.331 -10.351 7.185 1.00 0.00 C ATOM 1404 C LEU B 960 5.047 -11.160 6.107 1.00 0.00 C ATOM 1405 O LEU B 960 4.709 -12.317 5.860 1.00 0.00 O ATOM 1406 CB LEU B 960 3.173 -9.565 6.567 1.00 0.00 C ATOM 1407 CG LEU B 960 2.149 -10.403 5.801 1.00 0.00 C ATOM 1408 CD1 LEU B 960 0.774 -9.753 5.864 1.00 0.00 C ATOM 1409 CD2 LEU B 960 2.594 -10.590 4.358 1.00 0.00 C ATOM 0 H LEU B 960 5.000 -8.458 7.786 1.00 0.00 H new ATOM 0 HA LEU B 960 3.936 -11.044 7.928 1.00 0.00 H new ATOM 0 HB2 LEU B 960 2.656 -9.027 7.362 1.00 0.00 H new ATOM 0 HB3 LEU B 960 3.584 -8.816 5.890 1.00 0.00 H new ATOM 0 HG LEU B 960 2.081 -11.385 6.269 1.00 0.00 H new ATOM 0 HD11 LEU B 960 0.058 -10.363 5.314 1.00 0.00 H new ATOM 0 HD12 LEU B 960 0.458 -9.671 6.904 1.00 0.00 H new ATOM 0 HD13 LEU B 960 0.821 -8.759 5.420 1.00 0.00 H new ATOM 0 HD21 LEU B 960 1.856 -11.188 3.824 1.00 0.00 H new ATOM 0 HD22 LEU B 960 2.688 -9.616 3.877 1.00 0.00 H new ATOM 0 HD23 LEU B 960 3.557 -11.099 4.337 1.00 0.00 H new ATOM 1421 N MET B 961 6.036 -10.542 5.471 1.00 0.00 N ATOM 1422 CA MET B 961 6.800 -11.202 4.419 1.00 0.00 C ATOM 1423 C MET B 961 5.907 -11.548 3.232 1.00 0.00 C ATOM 1424 O MET B 961 6.133 -12.606 2.606 1.00 0.00 O ATOM 1425 CB MET B 961 7.465 -12.470 4.962 1.00 0.00 C ATOM 1426 CG MET B 961 8.588 -12.994 4.081 1.00 0.00 C ATOM 1427 SD MET B 961 10.161 -12.172 4.399 1.00 0.00 S ATOM 1428 CE MET B 961 11.102 -13.512 5.128 1.00 0.00 C ATOM 1429 OXT MET B 961 4.986 -10.758 2.936 1.00 0.00 O ATOM 0 H MET B 961 6.328 -9.584 5.666 1.00 0.00 H new ATOM 0 HA MET B 961 7.573 -10.513 4.078 1.00 0.00 H new ATOM 0 HB2 MET B 961 7.861 -12.265 5.957 1.00 0.00 H new ATOM 0 HB3 MET B 961 6.709 -13.247 5.073 1.00 0.00 H new ATOM 0 HG2 MET B 961 8.703 -14.066 4.244 1.00 0.00 H new ATOM 0 HG3 MET B 961 8.317 -12.858 3.034 1.00 0.00 H new ATOM 0 HE1 MET B 961 12.102 -13.159 5.380 1.00 0.00 H new ATOM 0 HE2 MET B 961 10.601 -13.859 6.032 1.00 0.00 H new ATOM 0 HE3 MET B 961 11.176 -14.334 4.416 1.00 0.00 H new