USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=21 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 471 LYS NZ :NH3+ -124:sc= -1.88! (180deg=-3.82!) USER MOD Set 1.2: A 478 GLN : amide:sc= -0.456 X(o=-2.3,f=-2.1) USER MOD Single : A 453 GLN : amide:sc= 0 K(o=0,f=-0.9) 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 -13:sc= -0.136 USER MOD Single : A 466 LYS NZ :NH3+ 159:sc= -1.24 (180deg=-2.01!) USER MOD Single : A 468 MET CE :methyl -168:sc= -2.44 (180deg=-3.02) USER MOD Single : A 469 THR OG1 : rot 180:sc= 0.00709 USER MOD Single : A 470 THR OG1 : rot 130:sc= -0.786 USER MOD Single : A 475 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00587) USER MOD Single : A 476 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 479 THR OG1 : rot 180:sc= 0 USER MOD Single : A 480 LYS NZ :NH3+ 147:sc= 0.3 (180deg=-0.00459) 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 486 SER OG : rot 180:sc= 0 USER MOD Single : A 488 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 489 THR OG1 : rot 72:sc= 1.23 USER MOD Single : A 491 ASN : amide:sc= -1.39 K(o=-1.4,f=-2.3) USER MOD Single : A 495 GLN : amide:sc= -0.86 X(o=-0.86,f=-0.56) USER MOD Single : A 498 LYS NZ :NH3+ 162:sc= -1.12 (180deg=-1.38) USER MOD Single : A 501 ASN :FLIP amide:sc= 0.563 F(o=-0.89,f=0.56) USER MOD Single : A 505 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 506 MET CE :methyl 159:sc= -0.0901 (180deg=-0.501) USER MOD Single : A 508 ASN : amide:sc= -0.0912 K(o=-0.091,f=-1.9!) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 511 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 512 HIS : no HD1:sc= -5.93! C(o=-5.9!,f=-5.6!) USER MOD Single : A 514 SER OG : rot 180:sc= 0 USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 949 MET CE :methyl 140:sc= -3.44 (180deg=-8.11!) USER MOD Single : B 951 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 958 ASN : amide:sc= -2 K(o=-2,f=-2.9!) USER MOD Single : B 961 MET CE :methyl -118:sc= -5! (180deg=-6.32!) USER MOD ----------------------------------------------------------------- ATOM 29 N GLN A 453 -13.257 6.421 2.433 1.00 0.00 N ATOM 30 CA GLN A 453 -12.351 5.530 3.150 1.00 0.00 C ATOM 31 C GLN A 453 -11.744 4.498 2.205 1.00 0.00 C ATOM 32 O GLN A 453 -12.257 4.264 1.112 1.00 0.00 O ATOM 33 CB GLN A 453 -13.091 4.824 4.288 1.00 0.00 C ATOM 34 CG GLN A 453 -12.183 3.999 5.184 1.00 0.00 C ATOM 35 CD GLN A 453 -12.930 3.355 6.337 1.00 0.00 C ATOM 36 OE1 GLN A 453 -14.113 3.619 6.549 1.00 0.00 O ATOM 37 NE2 GLN A 453 -12.239 2.507 7.089 1.00 0.00 N ATOM 0 HA GLN A 453 -11.545 6.132 3.569 1.00 0.00 H new ATOM 0 HB2 GLN A 453 -13.605 5.570 4.894 1.00 0.00 H new ATOM 0 HB3 GLN A 453 -13.857 4.175 3.864 1.00 0.00 H new ATOM 0 HG2 GLN A 453 -11.700 3.223 4.590 1.00 0.00 H new ATOM 0 HG3 GLN A 453 -11.392 4.636 5.579 1.00 0.00 H new ATOM 0 HE21 GLN A 453 -11.260 2.318 6.876 1.00 0.00 H new ATOM 0 HE22 GLN A 453 -12.688 2.044 7.880 1.00 0.00 H new ATOM 46 N VAL A 454 -10.647 3.883 2.636 1.00 0.00 N ATOM 47 CA VAL A 454 -9.968 2.875 1.831 1.00 0.00 C ATOM 48 C VAL A 454 -10.335 1.468 2.291 1.00 0.00 C ATOM 49 O VAL A 454 -10.324 1.173 3.486 1.00 0.00 O ATOM 50 CB VAL A 454 -8.437 3.042 1.894 1.00 0.00 C ATOM 51 CG1 VAL A 454 -7.753 2.083 0.930 1.00 0.00 C ATOM 52 CG2 VAL A 454 -8.043 4.480 1.594 1.00 0.00 C ATOM 0 H VAL A 454 -10.209 4.066 3.539 1.00 0.00 H new ATOM 0 HA VAL A 454 -10.298 3.016 0.802 1.00 0.00 H new ATOM 0 HB VAL A 454 -8.107 2.802 2.905 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -6.673 2.216 0.989 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -8.007 1.057 1.196 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -8.089 2.288 -0.087 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -6.959 4.578 1.643 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -8.387 4.751 0.596 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -8.501 5.143 2.328 1.00 0.00 H new ATOM 62 N THR A 455 -10.657 0.603 1.335 1.00 0.00 N ATOM 63 CA THR A 455 -11.027 -0.774 1.642 1.00 0.00 C ATOM 64 C THR A 455 -10.005 -1.752 1.071 1.00 0.00 C ATOM 65 O THR A 455 -9.299 -1.437 0.113 1.00 0.00 O ATOM 66 CB THR A 455 -12.416 -1.087 1.086 1.00 0.00 C ATOM 67 OG1 THR A 455 -13.202 0.089 1.007 1.00 0.00 O ATOM 68 CG2 THR A 455 -13.181 -2.094 1.919 1.00 0.00 C ATOM 0 H THR A 455 -10.669 0.831 0.341 1.00 0.00 H new ATOM 0 HA THR A 455 -11.044 -0.886 2.726 1.00 0.00 H new ATOM 0 HB THR A 455 -12.242 -1.513 0.098 1.00 0.00 H new ATOM 0 HG1 THR A 455 -14.086 -0.132 0.647 1.00 0.00 H new ATOM 0 HG21 THR A 455 -14.158 -2.271 1.469 1.00 0.00 H new ATOM 0 HG22 THR A 455 -12.625 -3.031 1.959 1.00 0.00 H new ATOM 0 HG23 THR A 455 -13.312 -1.706 2.929 1.00 0.00 H new ATOM 76 N GLU A 456 -9.931 -2.937 1.666 1.00 0.00 N ATOM 77 CA GLU A 456 -8.994 -3.961 1.216 1.00 0.00 C ATOM 78 C GLU A 456 -9.269 -4.354 -0.232 1.00 0.00 C ATOM 79 O GLU A 456 -8.342 -4.608 -1.002 1.00 0.00 O ATOM 80 CB GLU A 456 -9.087 -5.196 2.115 1.00 0.00 C ATOM 81 CG GLU A 456 -8.625 -4.947 3.541 1.00 0.00 C ATOM 82 CD GLU A 456 -8.706 -6.190 4.405 1.00 0.00 C ATOM 83 OE1 GLU A 456 -9.829 -6.560 4.809 1.00 0.00 O ATOM 84 OE2 GLU A 456 -7.647 -6.793 4.680 1.00 0.00 O ATOM 0 H GLU A 456 -10.508 -3.213 2.461 1.00 0.00 H new ATOM 0 HA GLU A 456 -7.987 -3.547 1.277 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -10.119 -5.545 2.132 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -8.487 -5.996 1.682 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -7.597 -4.584 3.528 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -9.235 -4.160 3.985 1.00 0.00 H new ATOM 91 N ASP A 457 -10.546 -4.404 -0.595 1.00 0.00 N ATOM 92 CA ASP A 457 -10.945 -4.769 -1.949 1.00 0.00 C ATOM 93 C ASP A 457 -10.329 -3.826 -2.979 1.00 0.00 C ATOM 94 O ASP A 457 -9.716 -4.268 -3.950 1.00 0.00 O ATOM 95 CB ASP A 457 -12.467 -4.749 -2.070 1.00 0.00 C ATOM 96 CG ASP A 457 -13.079 -3.479 -1.511 1.00 0.00 C ATOM 97 OD1 ASP A 457 -13.029 -2.440 -2.203 1.00 0.00 O ATOM 98 OD2 ASP A 457 -13.608 -3.524 -0.380 1.00 0.00 O ATOM 0 H ASP A 457 -11.324 -4.196 0.031 1.00 0.00 H new ATOM 0 HA ASP A 457 -10.580 -5.776 -2.149 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -12.746 -4.851 -3.119 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -12.881 -5.610 -1.544 1.00 0.00 H new ATOM 103 N ALA A 458 -10.499 -2.527 -2.760 1.00 0.00 N ATOM 104 CA ALA A 458 -9.964 -1.520 -3.670 1.00 0.00 C ATOM 105 C ALA A 458 -8.451 -1.651 -3.811 1.00 0.00 C ATOM 106 O ALA A 458 -7.898 -1.439 -4.890 1.00 0.00 O ATOM 107 CB ALA A 458 -10.332 -0.126 -3.186 1.00 0.00 C ATOM 0 H ALA A 458 -11.003 -2.146 -1.960 1.00 0.00 H new ATOM 0 HA ALA A 458 -10.407 -1.682 -4.652 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -9.927 0.617 -3.874 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -11.417 -0.029 -3.146 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -9.916 0.035 -2.191 1.00 0.00 H new ATOM 113 N VAL A 459 -7.786 -1.997 -2.715 1.00 0.00 N ATOM 114 CA VAL A 459 -6.337 -2.154 -2.719 1.00 0.00 C ATOM 115 C VAL A 459 -5.928 -3.496 -3.318 1.00 0.00 C ATOM 116 O VAL A 459 -4.938 -3.588 -4.045 1.00 0.00 O ATOM 117 CB VAL A 459 -5.755 -2.041 -1.295 1.00 0.00 C ATOM 118 CG1 VAL A 459 -4.235 -2.072 -1.332 1.00 0.00 C ATOM 119 CG2 VAL A 459 -6.254 -0.777 -0.612 1.00 0.00 C ATOM 0 H VAL A 459 -8.227 -2.174 -1.813 1.00 0.00 H new ATOM 0 HA VAL A 459 -5.935 -1.349 -3.334 1.00 0.00 H new ATOM 0 HB VAL A 459 -6.097 -2.898 -0.715 1.00 0.00 H new ATOM 0 HG11 VAL A 459 -3.845 -1.991 -0.318 1.00 0.00 H new ATOM 0 HG12 VAL A 459 -3.901 -3.010 -1.776 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -3.868 -1.237 -1.929 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -5.833 -0.715 0.391 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -5.946 0.095 -1.190 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -7.342 -0.803 -0.548 1.00 0.00 H new ATOM 129 N ARG A 460 -6.695 -4.535 -3.005 1.00 0.00 N ATOM 130 CA ARG A 460 -6.412 -5.876 -3.507 1.00 0.00 C ATOM 131 C ARG A 460 -6.500 -5.929 -5.029 1.00 0.00 C ATOM 132 O ARG A 460 -5.637 -6.506 -5.690 1.00 0.00 O ATOM 133 CB ARG A 460 -7.385 -6.885 -2.895 1.00 0.00 C ATOM 134 CG ARG A 460 -7.094 -8.324 -3.284 1.00 0.00 C ATOM 135 CD ARG A 460 -8.083 -9.287 -2.647 1.00 0.00 C ATOM 136 NE ARG A 460 -7.972 -9.303 -1.190 1.00 0.00 N ATOM 137 CZ ARG A 460 -8.629 -8.471 -0.383 1.00 0.00 C ATOM 138 NH1 ARG A 460 -9.447 -7.553 -0.883 1.00 0.00 N ATOM 139 NH2 ARG A 460 -8.467 -8.558 0.930 1.00 0.00 N ATOM 0 H ARG A 460 -7.518 -4.475 -2.406 1.00 0.00 H new ATOM 0 HA ARG A 460 -5.394 -6.133 -3.216 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -7.351 -6.797 -1.809 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -8.399 -6.632 -3.204 1.00 0.00 H new ATOM 0 HG2 ARG A 460 -7.135 -8.424 -4.369 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -6.081 -8.586 -2.978 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -9.097 -9.005 -2.930 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -7.912 -10.291 -3.035 1.00 0.00 H new ATOM 0 HE ARG A 460 -7.353 -9.994 -0.765 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -9.576 -7.481 -1.892 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -9.946 -6.920 -0.258 1.00 0.00 H new ATOM 0 HH21 ARG A 460 -7.840 -9.261 1.321 1.00 0.00 H new ATOM 0 HH22 ARG A 460 -8.969 -7.922 1.549 1.00 0.00 H new ATOM 153 N ARG A 461 -7.549 -5.328 -5.582 1.00 0.00 N ATOM 154 CA ARG A 461 -7.749 -5.315 -7.027 1.00 0.00 C ATOM 155 C ARG A 461 -6.546 -4.710 -7.746 1.00 0.00 C ATOM 156 O ARG A 461 -6.157 -5.172 -8.819 1.00 0.00 O ATOM 157 CB ARG A 461 -9.015 -4.534 -7.384 1.00 0.00 C ATOM 158 CG ARG A 461 -9.045 -3.128 -6.809 1.00 0.00 C ATOM 159 CD ARG A 461 -10.347 -2.417 -7.142 1.00 0.00 C ATOM 160 NE ARG A 461 -10.535 -2.266 -8.584 1.00 0.00 N ATOM 161 CZ ARG A 461 -11.400 -1.416 -9.133 1.00 0.00 C ATOM 162 NH1 ARG A 461 -12.157 -0.640 -8.368 1.00 0.00 N ATOM 163 NH2 ARG A 461 -11.507 -1.341 -10.453 1.00 0.00 N ATOM 0 H ARG A 461 -8.273 -4.844 -5.052 1.00 0.00 H new ATOM 0 HA ARG A 461 -7.861 -6.348 -7.356 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -9.102 -4.476 -8.469 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -9.885 -5.084 -7.024 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -8.921 -3.174 -5.727 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -8.205 -2.555 -7.202 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -11.183 -2.977 -6.724 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -10.354 -1.434 -6.670 1.00 0.00 H new ATOM 0 HE ARG A 461 -9.971 -2.846 -9.205 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -12.078 -0.692 -7.352 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -12.818 0.009 -8.796 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -10.927 -1.934 -11.046 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -12.169 -0.690 -10.875 1.00 0.00 H new ATOM 177 N TYR A 462 -5.963 -3.674 -7.153 1.00 0.00 N ATOM 178 CA TYR A 462 -4.806 -3.009 -7.742 1.00 0.00 C ATOM 179 C TYR A 462 -3.622 -3.964 -7.852 1.00 0.00 C ATOM 180 O TYR A 462 -2.945 -4.013 -8.879 1.00 0.00 O ATOM 181 CB TYR A 462 -4.414 -1.787 -6.909 1.00 0.00 C ATOM 182 CG TYR A 462 -5.442 -0.679 -6.933 1.00 0.00 C ATOM 183 CD1 TYR A 462 -6.094 -0.334 -8.111 1.00 0.00 C ATOM 184 CD2 TYR A 462 -5.760 0.024 -5.777 1.00 0.00 C ATOM 185 CE1 TYR A 462 -7.034 0.679 -8.135 1.00 0.00 C ATOM 186 CE2 TYR A 462 -6.699 1.038 -5.794 1.00 0.00 C ATOM 187 CZ TYR A 462 -7.332 1.362 -6.975 1.00 0.00 C ATOM 188 OH TYR A 462 -8.267 2.372 -6.996 1.00 0.00 O ATOM 0 H TYR A 462 -6.272 -3.277 -6.266 1.00 0.00 H new ATOM 0 HA TYR A 462 -5.080 -2.684 -8.746 1.00 0.00 H new ATOM 0 HB2 TYR A 462 -4.253 -2.099 -5.877 1.00 0.00 H new ATOM 0 HB3 TYR A 462 -3.465 -1.398 -7.276 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -5.862 -0.866 -9.022 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -5.265 -0.226 -4.850 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -7.533 0.934 -9.058 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -6.936 1.574 -4.887 1.00 0.00 H new ATOM 0 HH TYR A 462 -8.360 2.750 -6.097 1.00 0.00 H new ATOM 198 N LEU A 463 -3.373 -4.718 -6.786 1.00 0.00 N ATOM 199 CA LEU A 463 -2.267 -5.669 -6.763 1.00 0.00 C ATOM 200 C LEU A 463 -2.574 -6.891 -7.623 1.00 0.00 C ATOM 201 O LEU A 463 -1.694 -7.424 -8.297 1.00 0.00 O ATOM 202 CB LEU A 463 -1.971 -6.103 -5.326 1.00 0.00 C ATOM 203 CG LEU A 463 -1.572 -4.969 -4.381 1.00 0.00 C ATOM 204 CD1 LEU A 463 -1.485 -5.473 -2.948 1.00 0.00 C ATOM 205 CD2 LEU A 463 -0.249 -4.357 -4.813 1.00 0.00 C ATOM 0 H LEU A 463 -3.922 -4.689 -5.927 1.00 0.00 H new ATOM 0 HA LEU A 463 -1.389 -5.173 -7.176 1.00 0.00 H new ATOM 0 HB2 LEU A 463 -2.854 -6.599 -4.923 1.00 0.00 H new ATOM 0 HB3 LEU A 463 -1.170 -6.842 -5.343 1.00 0.00 H new ATOM 0 HG LEU A 463 -2.340 -4.197 -4.427 1.00 0.00 H new ATOM 0 HD11 LEU A 463 -1.200 -4.652 -2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 463 -2.455 -5.864 -2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 463 -0.738 -6.264 -2.885 1.00 0.00 H new ATOM 0 HD21 LEU A 463 0.020 -3.552 -4.129 1.00 0.00 H new ATOM 0 HD22 LEU A 463 0.528 -5.121 -4.797 1.00 0.00 H new ATOM 0 HD23 LEU A 463 -0.345 -3.959 -5.823 1.00 0.00 H new ATOM 217 N THR A 464 -3.828 -7.331 -7.593 1.00 0.00 N ATOM 218 CA THR A 464 -4.249 -8.489 -8.366 1.00 0.00 C ATOM 219 C THR A 464 -4.035 -8.256 -9.858 1.00 0.00 C ATOM 220 O THR A 464 -3.743 -9.191 -10.605 1.00 0.00 O ATOM 221 CB THR A 464 -5.720 -8.791 -8.089 1.00 0.00 C ATOM 222 OG1 THR A 464 -6.540 -7.713 -8.506 1.00 0.00 O ATOM 223 CG2 THR A 464 -6.014 -9.053 -6.628 1.00 0.00 C ATOM 0 H THR A 464 -4.570 -6.901 -7.040 1.00 0.00 H new ATOM 0 HA THR A 464 -3.642 -9.343 -8.064 1.00 0.00 H new ATOM 0 HB THR A 464 -5.940 -9.697 -8.654 1.00 0.00 H new ATOM 0 HG1 THR A 464 -5.981 -6.930 -8.693 1.00 0.00 H new ATOM 0 HG21 THR A 464 -7.077 -9.260 -6.502 1.00 0.00 H new ATOM 0 HG22 THR A 464 -5.434 -9.911 -6.288 1.00 0.00 H new ATOM 0 HG23 THR A 464 -5.743 -8.176 -6.040 1.00 0.00 H new ATOM 231 N ARG A 465 -4.181 -7.007 -10.285 1.00 0.00 N ATOM 232 CA ARG A 465 -4.003 -6.655 -11.690 1.00 0.00 C ATOM 233 C ARG A 465 -2.526 -6.498 -12.028 1.00 0.00 C ATOM 234 O ARG A 465 -2.040 -7.058 -13.011 1.00 0.00 O ATOM 235 CB ARG A 465 -4.755 -5.363 -12.014 1.00 0.00 C ATOM 236 CG ARG A 465 -6.267 -5.509 -11.960 1.00 0.00 C ATOM 237 CD ARG A 465 -6.967 -4.233 -12.399 1.00 0.00 C ATOM 238 NE ARG A 465 -8.413 -4.309 -12.208 1.00 0.00 N ATOM 239 CZ ARG A 465 -9.284 -3.509 -12.818 1.00 0.00 C ATOM 240 NH1 ARG A 465 -8.861 -2.571 -13.657 1.00 0.00 N ATOM 241 NH2 ARG A 465 -10.583 -3.646 -12.590 1.00 0.00 N ATOM 0 H ARG A 465 -4.422 -6.222 -9.680 1.00 0.00 H new ATOM 0 HA ARG A 465 -4.411 -7.464 -12.296 1.00 0.00 H new ATOM 0 HB2 ARG A 465 -4.448 -4.588 -11.312 1.00 0.00 H new ATOM 0 HB3 ARG A 465 -4.466 -5.024 -13.009 1.00 0.00 H new ATOM 0 HG2 ARG A 465 -6.577 -6.334 -12.601 1.00 0.00 H new ATOM 0 HG3 ARG A 465 -6.573 -5.762 -10.945 1.00 0.00 H new ATOM 0 HD2 ARG A 465 -6.571 -3.389 -11.834 1.00 0.00 H new ATOM 0 HD3 ARG A 465 -6.750 -4.043 -13.450 1.00 0.00 H new ATOM 0 HE ARG A 465 -8.776 -5.017 -11.570 1.00 0.00 H new ATOM 0 HH11 ARG A 465 -7.863 -2.460 -13.837 1.00 0.00 H new ATOM 0 HH12 ARG A 465 -9.534 -1.961 -14.121 1.00 0.00 H new ATOM 0 HH21 ARG A 465 -10.915 -4.365 -11.947 1.00 0.00 H new ATOM 0 HH22 ARG A 465 -11.250 -3.033 -13.058 1.00 0.00 H new ATOM 255 N LYS A 466 -1.820 -5.736 -11.205 1.00 0.00 N ATOM 256 CA LYS A 466 -0.396 -5.501 -11.410 1.00 0.00 C ATOM 257 C LYS A 466 0.331 -5.366 -10.073 1.00 0.00 C ATOM 258 O LYS A 466 -0.190 -4.764 -9.134 1.00 0.00 O ATOM 259 CB LYS A 466 -0.182 -4.240 -12.250 1.00 0.00 C ATOM 260 CG LYS A 466 0.956 -4.360 -13.251 1.00 0.00 C ATOM 261 CD LYS A 466 2.227 -3.707 -12.732 1.00 0.00 C ATOM 262 CE LYS A 466 2.232 -2.211 -12.998 1.00 0.00 C ATOM 263 NZ LYS A 466 1.278 -1.486 -12.114 1.00 0.00 N ATOM 0 H LYS A 466 -2.210 -5.268 -10.387 1.00 0.00 H new ATOM 0 HA LYS A 466 0.016 -6.358 -11.943 1.00 0.00 H new ATOM 0 HB2 LYS A 466 -1.103 -4.010 -12.786 1.00 0.00 H new ATOM 0 HB3 LYS A 466 0.018 -3.400 -11.585 1.00 0.00 H new ATOM 0 HG2 LYS A 466 1.147 -5.412 -13.462 1.00 0.00 H new ATOM 0 HG3 LYS A 466 0.665 -3.894 -14.192 1.00 0.00 H new ATOM 0 HD2 LYS A 466 2.319 -3.888 -11.661 1.00 0.00 H new ATOM 0 HD3 LYS A 466 3.094 -4.165 -13.208 1.00 0.00 H new ATOM 0 HE2 LYS A 466 3.238 -1.819 -12.846 1.00 0.00 H new ATOM 0 HE3 LYS A 466 1.972 -2.027 -14.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 1.548 -0.483 -12.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 0.316 -1.565 -12.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 1.302 -1.903 -11.162 1.00 0.00 H new ATOM 277 N PRO A 467 1.550 -5.925 -9.966 1.00 0.00 N ATOM 278 CA PRO A 467 2.341 -5.859 -8.735 1.00 0.00 C ATOM 279 C PRO A 467 2.886 -4.459 -8.474 1.00 0.00 C ATOM 280 O PRO A 467 3.501 -3.849 -9.349 1.00 0.00 O ATOM 281 CB PRO A 467 3.486 -6.838 -8.994 1.00 0.00 C ATOM 282 CG PRO A 467 3.635 -6.860 -10.476 1.00 0.00 C ATOM 283 CD PRO A 467 2.252 -6.661 -11.036 1.00 0.00 C ATOM 0 HA PRO A 467 1.746 -6.103 -7.855 1.00 0.00 H new ATOM 0 HB2 PRO A 467 4.405 -6.510 -8.508 1.00 0.00 H new ATOM 0 HB3 PRO A 467 3.255 -7.829 -8.604 1.00 0.00 H new ATOM 0 HG2 PRO A 467 4.309 -6.072 -10.812 1.00 0.00 H new ATOM 0 HG3 PRO A 467 4.059 -7.806 -10.811 1.00 0.00 H new ATOM 0 HD2 PRO A 467 2.273 -6.093 -11.966 1.00 0.00 H new ATOM 0 HD3 PRO A 467 1.766 -7.612 -11.254 1.00 0.00 H new ATOM 291 N MET A 468 2.657 -3.953 -7.266 1.00 0.00 N ATOM 292 CA MET A 468 3.125 -2.623 -6.894 1.00 0.00 C ATOM 293 C MET A 468 3.749 -2.634 -5.503 1.00 0.00 C ATOM 294 O MET A 468 3.552 -3.571 -4.729 1.00 0.00 O ATOM 295 CB MET A 468 1.969 -1.623 -6.938 1.00 0.00 C ATOM 296 CG MET A 468 1.320 -1.505 -8.307 1.00 0.00 C ATOM 297 SD MET A 468 0.092 -0.187 -8.382 1.00 0.00 S ATOM 298 CE MET A 468 -1.059 -0.724 -7.119 1.00 0.00 C ATOM 0 H MET A 468 2.151 -4.444 -6.529 1.00 0.00 H new ATOM 0 HA MET A 468 3.887 -2.320 -7.612 1.00 0.00 H new ATOM 0 HB2 MET A 468 1.213 -1.921 -6.211 1.00 0.00 H new ATOM 0 HB3 MET A 468 2.335 -0.643 -6.633 1.00 0.00 H new ATOM 0 HG2 MET A 468 2.091 -1.321 -9.056 1.00 0.00 H new ATOM 0 HG3 MET A 468 0.846 -2.453 -8.563 1.00 0.00 H new ATOM 0 HE1 MET A 468 -1.975 -0.137 -7.188 1.00 0.00 H new ATOM 0 HE2 MET A 468 -1.292 -1.779 -7.264 1.00 0.00 H new ATOM 0 HE3 MET A 468 -0.611 -0.583 -6.135 1.00 0.00 H new ATOM 308 N THR A 469 4.502 -1.585 -5.189 1.00 0.00 N ATOM 309 CA THR A 469 5.155 -1.471 -3.890 1.00 0.00 C ATOM 310 C THR A 469 4.272 -0.711 -2.905 1.00 0.00 C ATOM 311 O THR A 469 3.224 -0.181 -3.276 1.00 0.00 O ATOM 312 CB THR A 469 6.505 -0.768 -4.034 1.00 0.00 C ATOM 313 OG1 THR A 469 6.379 0.408 -4.813 1.00 0.00 O ATOM 314 CG2 THR A 469 7.566 -1.635 -4.678 1.00 0.00 C ATOM 0 H THR A 469 4.675 -0.801 -5.817 1.00 0.00 H new ATOM 0 HA THR A 469 5.319 -2.476 -3.502 1.00 0.00 H new ATOM 0 HB THR A 469 6.818 -0.535 -3.016 1.00 0.00 H new ATOM 0 HG1 THR A 469 7.253 0.843 -4.892 1.00 0.00 H new ATOM 0 HG21 THR A 469 8.499 -1.076 -4.750 1.00 0.00 H new ATOM 0 HG22 THR A 469 7.724 -2.527 -4.072 1.00 0.00 H new ATOM 0 HG23 THR A 469 7.240 -1.927 -5.676 1.00 0.00 H new ATOM 322 N THR A 470 4.702 -0.664 -1.648 1.00 0.00 N ATOM 323 CA THR A 470 3.949 0.030 -0.608 1.00 0.00 C ATOM 324 C THR A 470 3.733 1.496 -0.970 1.00 0.00 C ATOM 325 O THR A 470 2.635 2.029 -0.813 1.00 0.00 O ATOM 326 CB THR A 470 4.680 -0.072 0.732 1.00 0.00 C ATOM 327 OG1 THR A 470 6.074 0.110 0.559 1.00 0.00 O ATOM 328 CG2 THR A 470 4.472 -1.400 1.427 1.00 0.00 C ATOM 0 H THR A 470 5.567 -1.098 -1.325 1.00 0.00 H new ATOM 0 HA THR A 470 2.974 -0.449 -0.523 1.00 0.00 H new ATOM 0 HB THR A 470 4.254 0.716 1.354 1.00 0.00 H new ATOM 0 HG1 THR A 470 6.398 0.779 1.198 1.00 0.00 H new ATOM 0 HG21 THR A 470 5.017 -1.406 2.371 1.00 0.00 H new ATOM 0 HG22 THR A 470 3.409 -1.547 1.621 1.00 0.00 H new ATOM 0 HG23 THR A 470 4.839 -2.205 0.791 1.00 0.00 H new ATOM 336 N LYS A 471 4.786 2.143 -1.457 1.00 0.00 N ATOM 337 CA LYS A 471 4.709 3.549 -1.842 1.00 0.00 C ATOM 338 C LYS A 471 3.647 3.764 -2.916 1.00 0.00 C ATOM 339 O LYS A 471 2.920 4.758 -2.893 1.00 0.00 O ATOM 340 CB LYS A 471 6.068 4.035 -2.348 1.00 0.00 C ATOM 341 CG LYS A 471 6.082 5.506 -2.733 1.00 0.00 C ATOM 342 CD LYS A 471 6.186 6.402 -1.509 1.00 0.00 C ATOM 343 CE LYS A 471 4.839 7.005 -1.144 1.00 0.00 C ATOM 344 NZ LYS A 471 4.688 8.389 -1.672 1.00 0.00 N ATOM 0 H LYS A 471 5.703 1.717 -1.595 1.00 0.00 H new ATOM 0 HA LYS A 471 4.429 4.126 -0.961 1.00 0.00 H new ATOM 0 HB2 LYS A 471 6.817 3.863 -1.575 1.00 0.00 H new ATOM 0 HB3 LYS A 471 6.359 3.439 -3.213 1.00 0.00 H new ATOM 0 HG2 LYS A 471 6.922 5.701 -3.400 1.00 0.00 H new ATOM 0 HG3 LYS A 471 5.174 5.747 -3.285 1.00 0.00 H new ATOM 0 HD2 LYS A 471 6.568 5.826 -0.666 1.00 0.00 H new ATOM 0 HD3 LYS A 471 6.903 7.200 -1.701 1.00 0.00 H new ATOM 0 HE2 LYS A 471 4.041 6.377 -1.540 1.00 0.00 H new ATOM 0 HE3 LYS A 471 4.728 7.016 -0.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 4.470 9.038 -0.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 5.574 8.684 -2.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 3.914 8.413 -2.366 1.00 0.00 H new ATOM 358 N ASP A 472 3.563 2.828 -3.855 1.00 0.00 N ATOM 359 CA ASP A 472 2.590 2.916 -4.937 1.00 0.00 C ATOM 360 C ASP A 472 1.166 2.922 -4.393 1.00 0.00 C ATOM 361 O ASP A 472 0.295 3.620 -4.911 1.00 0.00 O ATOM 362 CB ASP A 472 2.772 1.751 -5.911 1.00 0.00 C ATOM 363 CG ASP A 472 4.095 1.813 -6.651 1.00 0.00 C ATOM 364 OD1 ASP A 472 4.724 2.892 -6.650 1.00 0.00 O ATOM 365 OD2 ASP A 472 4.500 0.783 -7.229 1.00 0.00 O ATOM 0 H ASP A 472 4.157 2.000 -3.889 1.00 0.00 H new ATOM 0 HA ASP A 472 2.759 3.854 -5.467 1.00 0.00 H new ATOM 0 HB2 ASP A 472 2.710 0.811 -5.363 1.00 0.00 H new ATOM 0 HB3 ASP A 472 1.955 1.754 -6.633 1.00 0.00 H new ATOM 370 N LEU A 473 0.937 2.137 -3.346 1.00 0.00 N ATOM 371 CA LEU A 473 -0.381 2.050 -2.729 1.00 0.00 C ATOM 372 C LEU A 473 -0.809 3.401 -2.166 1.00 0.00 C ATOM 373 O LEU A 473 -1.968 3.798 -2.290 1.00 0.00 O ATOM 374 CB LEU A 473 -0.379 0.998 -1.619 1.00 0.00 C ATOM 375 CG LEU A 473 0.027 -0.410 -2.060 1.00 0.00 C ATOM 376 CD1 LEU A 473 0.167 -1.326 -0.854 1.00 0.00 C ATOM 377 CD2 LEU A 473 -0.988 -0.974 -3.044 1.00 0.00 C ATOM 0 H LEU A 473 1.647 1.552 -2.907 1.00 0.00 H new ATOM 0 HA LEU A 473 -1.096 1.755 -3.497 1.00 0.00 H new ATOM 0 HB2 LEU A 473 0.299 1.325 -0.831 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -1.376 0.952 -1.182 1.00 0.00 H new ATOM 0 HG LEU A 473 0.994 -0.349 -2.560 1.00 0.00 H new ATOM 0 HD11 LEU A 473 0.456 -2.323 -1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 473 0.931 -0.931 -0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 473 -0.785 -1.381 -0.327 1.00 0.00 H new ATOM 0 HD21 LEU A 473 -0.683 -1.976 -3.347 1.00 0.00 H new ATOM 0 HD22 LEU A 473 -1.968 -1.021 -2.569 1.00 0.00 H new ATOM 0 HD23 LEU A 473 -1.041 -0.330 -3.922 1.00 0.00 H new ATOM 389 N LEU A 474 0.133 4.103 -1.544 1.00 0.00 N ATOM 390 CA LEU A 474 -0.148 5.410 -0.961 1.00 0.00 C ATOM 391 C LEU A 474 -0.444 6.439 -2.046 1.00 0.00 C ATOM 392 O LEU A 474 -1.295 7.311 -1.871 1.00 0.00 O ATOM 393 CB LEU A 474 1.034 5.874 -0.108 1.00 0.00 C ATOM 394 CG LEU A 474 1.233 5.103 1.197 1.00 0.00 C ATOM 395 CD1 LEU A 474 2.616 5.368 1.770 1.00 0.00 C ATOM 396 CD2 LEU A 474 0.156 5.476 2.204 1.00 0.00 C ATOM 0 H LEU A 474 1.097 3.789 -1.431 1.00 0.00 H new ATOM 0 HA LEU A 474 -1.030 5.316 -0.328 1.00 0.00 H new ATOM 0 HB2 LEU A 474 1.944 5.794 -0.702 1.00 0.00 H new ATOM 0 HB3 LEU A 474 0.900 6.930 0.128 1.00 0.00 H new ATOM 0 HG LEU A 474 1.151 4.037 0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 474 2.738 4.810 2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 474 3.374 5.050 1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 474 2.729 6.434 1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 474 0.312 4.918 3.127 1.00 0.00 H new ATOM 0 HD22 LEU A 474 0.207 6.545 2.412 1.00 0.00 H new ATOM 0 HD23 LEU A 474 -0.825 5.233 1.795 1.00 0.00 H new ATOM 408 N LYS A 475 0.263 6.332 -3.167 1.00 0.00 N ATOM 409 CA LYS A 475 0.073 7.254 -4.281 1.00 0.00 C ATOM 410 C LYS A 475 -1.373 7.229 -4.768 1.00 0.00 C ATOM 411 O LYS A 475 -1.923 8.256 -5.164 1.00 0.00 O ATOM 412 CB LYS A 475 1.017 6.900 -5.431 1.00 0.00 C ATOM 413 CG LYS A 475 2.485 7.132 -5.106 1.00 0.00 C ATOM 414 CD LYS A 475 3.380 6.752 -6.275 1.00 0.00 C ATOM 415 CE LYS A 475 3.268 7.757 -7.411 1.00 0.00 C ATOM 416 NZ LYS A 475 4.027 9.005 -7.125 1.00 0.00 N ATOM 0 H LYS A 475 0.972 5.617 -3.328 1.00 0.00 H new ATOM 0 HA LYS A 475 0.302 8.260 -3.930 1.00 0.00 H new ATOM 0 HB2 LYS A 475 0.874 5.853 -5.699 1.00 0.00 H new ATOM 0 HB3 LYS A 475 0.749 7.492 -6.306 1.00 0.00 H new ATOM 0 HG2 LYS A 475 2.641 8.180 -4.852 1.00 0.00 H new ATOM 0 HG3 LYS A 475 2.762 6.547 -4.229 1.00 0.00 H new ATOM 0 HD2 LYS A 475 4.415 6.695 -5.939 1.00 0.00 H new ATOM 0 HD3 LYS A 475 3.107 5.761 -6.636 1.00 0.00 H new ATOM 0 HE2 LYS A 475 3.642 7.308 -8.331 1.00 0.00 H new ATOM 0 HE3 LYS A 475 2.219 8.000 -7.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 3.981 9.636 -7.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 3.611 9.483 -6.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 5.020 8.769 -6.924 1.00 0.00 H new ATOM 430 N LYS A 476 -1.981 6.048 -4.734 1.00 0.00 N ATOM 431 CA LYS A 476 -3.363 5.888 -5.170 1.00 0.00 C ATOM 432 C LYS A 476 -4.303 6.731 -4.315 1.00 0.00 C ATOM 433 O LYS A 476 -5.318 7.231 -4.799 1.00 0.00 O ATOM 434 CB LYS A 476 -3.774 4.416 -5.103 1.00 0.00 C ATOM 435 CG LYS A 476 -2.888 3.498 -5.927 1.00 0.00 C ATOM 436 CD LYS A 476 -2.961 3.833 -7.407 1.00 0.00 C ATOM 437 CE LYS A 476 -2.197 2.821 -8.246 1.00 0.00 C ATOM 438 NZ LYS A 476 -2.796 2.657 -9.600 1.00 0.00 N ATOM 0 H LYS A 476 -1.539 5.188 -4.409 1.00 0.00 H new ATOM 0 HA LYS A 476 -3.435 6.230 -6.202 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -3.754 4.089 -4.063 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -4.803 4.319 -5.448 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -1.857 3.583 -5.584 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -3.192 2.463 -5.772 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -4.003 3.857 -7.725 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -2.553 4.829 -7.576 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -1.159 3.140 -8.344 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -2.187 1.859 -7.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 -2.246 1.959 -10.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -3.778 2.328 -9.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -2.782 3.570 -10.099 1.00 0.00 H new ATOM 452 N PHE A 477 -3.958 6.884 -3.041 1.00 0.00 N ATOM 453 CA PHE A 477 -4.771 7.667 -2.118 1.00 0.00 C ATOM 454 C PHE A 477 -3.912 8.269 -1.009 1.00 0.00 C ATOM 455 O PHE A 477 -4.040 7.902 0.159 1.00 0.00 O ATOM 456 CB PHE A 477 -5.873 6.795 -1.512 1.00 0.00 C ATOM 457 CG PHE A 477 -6.875 6.309 -2.519 1.00 0.00 C ATOM 458 CD1 PHE A 477 -7.959 7.097 -2.873 1.00 0.00 C ATOM 459 CD2 PHE A 477 -6.735 5.064 -3.111 1.00 0.00 C ATOM 460 CE1 PHE A 477 -8.883 6.653 -3.799 1.00 0.00 C ATOM 461 CE2 PHE A 477 -7.656 4.615 -4.039 1.00 0.00 C ATOM 462 CZ PHE A 477 -8.731 5.410 -4.383 1.00 0.00 C ATOM 0 H PHE A 477 -3.121 6.476 -2.624 1.00 0.00 H new ATOM 0 HA PHE A 477 -5.229 8.482 -2.678 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -5.416 5.935 -1.022 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -6.392 7.364 -0.740 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -8.083 8.069 -2.420 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -5.897 4.437 -2.844 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -9.723 7.277 -4.066 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -7.535 3.643 -4.494 1.00 0.00 H new ATOM 0 HZ PHE A 477 -9.452 5.061 -5.107 1.00 0.00 H new ATOM 472 N GLN A 478 -3.036 9.197 -1.383 1.00 0.00 N ATOM 473 CA GLN A 478 -2.156 9.849 -0.420 1.00 0.00 C ATOM 474 C GLN A 478 -2.817 11.094 0.166 1.00 0.00 C ATOM 475 O GLN A 478 -3.167 11.126 1.346 1.00 0.00 O ATOM 476 CB GLN A 478 -0.829 10.225 -1.082 1.00 0.00 C ATOM 477 CG GLN A 478 0.212 10.746 -0.104 1.00 0.00 C ATOM 478 CD GLN A 478 1.492 11.180 -0.792 1.00 0.00 C ATOM 479 OE1 GLN A 478 2.314 10.350 -1.179 1.00 0.00 O ATOM 480 NE2 GLN A 478 1.667 12.487 -0.948 1.00 0.00 N ATOM 0 H GLN A 478 -2.917 9.514 -2.345 1.00 0.00 H new ATOM 0 HA GLN A 478 -1.963 9.147 0.391 1.00 0.00 H new ATOM 0 HB2 GLN A 478 -0.428 9.351 -1.595 1.00 0.00 H new ATOM 0 HB3 GLN A 478 -1.014 10.984 -1.842 1.00 0.00 H new ATOM 0 HG2 GLN A 478 -0.203 11.589 0.448 1.00 0.00 H new ATOM 0 HG3 GLN A 478 0.441 9.969 0.625 1.00 0.00 H new ATOM 0 HE21 GLN A 478 0.959 13.140 -0.612 1.00 0.00 H new ATOM 0 HE22 GLN A 478 2.509 12.838 -1.404 1.00 0.00 H new ATOM 489 N THR A 479 -2.985 12.116 -0.666 1.00 0.00 N ATOM 490 CA THR A 479 -3.606 13.364 -0.233 1.00 0.00 C ATOM 491 C THR A 479 -4.898 13.620 -1.003 1.00 0.00 C ATOM 492 O THR A 479 -5.259 14.768 -1.265 1.00 0.00 O ATOM 493 CB THR A 479 -2.641 14.533 -0.428 1.00 0.00 C ATOM 494 OG1 THR A 479 -2.314 14.691 -1.798 1.00 0.00 O ATOM 495 CG2 THR A 479 -1.345 14.374 0.337 1.00 0.00 C ATOM 0 H THR A 479 -2.700 12.105 -1.645 1.00 0.00 H new ATOM 0 HA THR A 479 -3.846 13.275 0.827 1.00 0.00 H new ATOM 0 HB THR A 479 -3.166 15.407 -0.044 1.00 0.00 H new ATOM 0 HG1 THR A 479 -1.697 15.445 -1.902 1.00 0.00 H new ATOM 0 HG21 THR A 479 -0.706 15.238 0.154 1.00 0.00 H new ATOM 0 HG22 THR A 479 -1.559 14.300 1.403 1.00 0.00 H new ATOM 0 HG23 THR A 479 -0.835 13.469 0.005 1.00 0.00 H new ATOM 503 N LYS A 480 -5.586 12.543 -1.364 1.00 0.00 N ATOM 504 CA LYS A 480 -6.837 12.643 -2.107 1.00 0.00 C ATOM 505 C LYS A 480 -7.923 13.310 -1.268 1.00 0.00 C ATOM 506 O LYS A 480 -7.663 13.788 -0.164 1.00 0.00 O ATOM 507 CB LYS A 480 -7.293 11.254 -2.554 1.00 0.00 C ATOM 508 CG LYS A 480 -6.530 10.719 -3.757 1.00 0.00 C ATOM 509 CD LYS A 480 -5.025 10.802 -3.549 1.00 0.00 C ATOM 510 CE LYS A 480 -4.269 10.031 -4.621 1.00 0.00 C ATOM 511 NZ LYS A 480 -3.221 10.866 -5.270 1.00 0.00 N ATOM 0 H LYS A 480 -5.298 11.588 -1.153 1.00 0.00 H new ATOM 0 HA LYS A 480 -6.662 13.262 -2.987 1.00 0.00 H new ATOM 0 HB2 LYS A 480 -7.178 10.558 -1.723 1.00 0.00 H new ATOM 0 HB3 LYS A 480 -8.355 11.290 -2.795 1.00 0.00 H new ATOM 0 HG2 LYS A 480 -6.816 9.683 -3.938 1.00 0.00 H new ATOM 0 HG3 LYS A 480 -6.807 11.286 -4.646 1.00 0.00 H new ATOM 0 HD2 LYS A 480 -4.712 11.846 -3.562 1.00 0.00 H new ATOM 0 HD3 LYS A 480 -4.770 10.405 -2.566 1.00 0.00 H new ATOM 0 HE2 LYS A 480 -3.807 9.149 -4.177 1.00 0.00 H new ATOM 0 HE3 LYS A 480 -4.970 9.677 -5.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 480 -2.414 10.266 -5.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 480 -3.614 11.316 -6.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 480 -2.902 11.600 -4.606 1.00 0.00 H new ATOM 525 N LYS A 481 -9.142 13.340 -1.803 1.00 0.00 N ATOM 526 CA LYS A 481 -10.274 13.951 -1.110 1.00 0.00 C ATOM 527 C LYS A 481 -10.395 13.440 0.325 1.00 0.00 C ATOM 528 O LYS A 481 -10.946 14.123 1.188 1.00 0.00 O ATOM 529 CB LYS A 481 -11.572 13.671 -1.871 1.00 0.00 C ATOM 530 CG LYS A 481 -12.791 14.347 -1.266 1.00 0.00 C ATOM 531 CD LYS A 481 -14.063 13.971 -2.008 1.00 0.00 C ATOM 532 CE LYS A 481 -15.262 14.745 -1.485 1.00 0.00 C ATOM 533 NZ LYS A 481 -16.493 13.908 -1.453 1.00 0.00 N ATOM 0 H LYS A 481 -9.371 12.947 -2.716 1.00 0.00 H new ATOM 0 HA LYS A 481 -10.099 15.026 -1.073 1.00 0.00 H new ATOM 0 HB2 LYS A 481 -11.457 14.004 -2.903 1.00 0.00 H new ATOM 0 HB3 LYS A 481 -11.741 12.595 -1.900 1.00 0.00 H new ATOM 0 HG2 LYS A 481 -12.883 14.063 -0.218 1.00 0.00 H new ATOM 0 HG3 LYS A 481 -12.659 15.429 -1.293 1.00 0.00 H new ATOM 0 HD2 LYS A 481 -13.937 14.169 -3.072 1.00 0.00 H new ATOM 0 HD3 LYS A 481 -14.245 12.901 -1.902 1.00 0.00 H new ATOM 0 HE2 LYS A 481 -15.047 15.113 -0.482 1.00 0.00 H new ATOM 0 HE3 LYS A 481 -15.433 15.618 -2.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 -17.287 14.473 -1.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 -16.713 13.578 -2.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 -16.339 13.088 -0.832 1.00 0.00 H new ATOM 547 N THR A 482 -9.882 12.238 0.573 1.00 0.00 N ATOM 548 CA THR A 482 -9.937 11.640 1.906 1.00 0.00 C ATOM 549 C THR A 482 -9.507 12.639 2.977 1.00 0.00 C ATOM 550 O THR A 482 -9.992 12.599 4.108 1.00 0.00 O ATOM 551 CB THR A 482 -9.043 10.399 1.966 1.00 0.00 C ATOM 552 OG1 THR A 482 -7.678 10.758 1.844 1.00 0.00 O ATOM 553 CG2 THR A 482 -9.350 9.388 0.883 1.00 0.00 C ATOM 0 H THR A 482 -9.424 11.658 -0.130 1.00 0.00 H new ATOM 0 HA THR A 482 -10.970 11.351 2.101 1.00 0.00 H new ATOM 0 HB THR A 482 -9.246 9.943 2.935 1.00 0.00 H new ATOM 0 HG1 THR A 482 -7.123 9.952 1.886 1.00 0.00 H new ATOM 0 HG21 THR A 482 -8.681 8.533 0.983 1.00 0.00 H new ATOM 0 HG22 THR A 482 -10.383 9.053 0.980 1.00 0.00 H new ATOM 0 HG23 THR A 482 -9.208 9.848 -0.095 1.00 0.00 H new ATOM 561 N GLY A 483 -8.599 13.538 2.611 1.00 0.00 N ATOM 562 CA GLY A 483 -8.123 14.537 3.549 1.00 0.00 C ATOM 563 C GLY A 483 -7.398 13.928 4.732 1.00 0.00 C ATOM 564 O GLY A 483 -7.403 14.489 5.828 1.00 0.00 O ATOM 0 H GLY A 483 -8.184 13.592 1.681 1.00 0.00 H new ATOM 0 HA2 GLY A 483 -7.454 15.225 3.033 1.00 0.00 H new ATOM 0 HA3 GLY A 483 -8.968 15.124 3.909 1.00 0.00 H new ATOM 568 N LEU A 484 -6.774 12.776 4.513 1.00 0.00 N ATOM 569 CA LEU A 484 -6.041 12.091 5.571 1.00 0.00 C ATOM 570 C LEU A 484 -4.564 12.471 5.543 1.00 0.00 C ATOM 571 O LEU A 484 -3.919 12.417 4.496 1.00 0.00 O ATOM 572 CB LEU A 484 -6.192 10.576 5.428 1.00 0.00 C ATOM 573 CG LEU A 484 -7.631 10.060 5.487 1.00 0.00 C ATOM 574 CD1 LEU A 484 -7.657 8.542 5.408 1.00 0.00 C ATOM 575 CD2 LEU A 484 -8.316 10.541 6.756 1.00 0.00 C ATOM 0 H LEU A 484 -6.761 12.297 3.613 1.00 0.00 H new ATOM 0 HA LEU A 484 -6.460 12.402 6.528 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -5.751 10.270 4.479 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -5.616 10.093 6.217 1.00 0.00 H new ATOM 0 HG LEU A 484 -8.175 10.457 4.630 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -8.689 8.193 5.451 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -7.204 8.219 4.471 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -7.097 8.124 6.245 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -9.339 10.165 6.782 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -7.772 10.173 7.625 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -8.330 11.631 6.771 1.00 0.00 H new ATOM 587 N SER A 485 -4.035 12.854 6.701 1.00 0.00 N ATOM 588 CA SER A 485 -2.634 13.241 6.809 1.00 0.00 C ATOM 589 C SER A 485 -1.720 12.077 6.442 1.00 0.00 C ATOM 590 O SER A 485 -2.154 10.925 6.396 1.00 0.00 O ATOM 591 CB SER A 485 -2.323 13.720 8.229 1.00 0.00 C ATOM 592 OG SER A 485 -3.161 14.802 8.597 1.00 0.00 O ATOM 0 H SER A 485 -4.556 12.904 7.577 1.00 0.00 H new ATOM 0 HA SER A 485 -2.453 14.057 6.110 1.00 0.00 H new ATOM 0 HB2 SER A 485 -2.457 12.897 8.931 1.00 0.00 H new ATOM 0 HB3 SER A 485 -1.279 14.027 8.292 1.00 0.00 H new ATOM 0 HG SER A 485 -2.944 15.089 9.509 1.00 0.00 H new ATOM 598 N SER A 486 -0.454 12.383 6.178 1.00 0.00 N ATOM 599 CA SER A 486 0.519 11.359 5.814 1.00 0.00 C ATOM 600 C SER A 486 0.627 10.298 6.905 1.00 0.00 C ATOM 601 O SER A 486 0.771 9.110 6.616 1.00 0.00 O ATOM 602 CB SER A 486 1.889 11.993 5.566 1.00 0.00 C ATOM 603 OG SER A 486 2.438 12.509 6.766 1.00 0.00 O ATOM 0 H SER A 486 -0.078 13.331 6.209 1.00 0.00 H new ATOM 0 HA SER A 486 0.177 10.878 4.897 1.00 0.00 H new ATOM 0 HB2 SER A 486 2.565 11.250 5.143 1.00 0.00 H new ATOM 0 HB3 SER A 486 1.795 12.793 4.832 1.00 0.00 H new ATOM 0 HG SER A 486 3.314 12.907 6.580 1.00 0.00 H new ATOM 609 N GLU A 487 0.555 10.736 8.157 1.00 0.00 N ATOM 610 CA GLU A 487 0.642 9.824 9.293 1.00 0.00 C ATOM 611 C GLU A 487 -0.664 9.058 9.478 1.00 0.00 C ATOM 612 O GLU A 487 -0.659 7.871 9.804 1.00 0.00 O ATOM 613 CB GLU A 487 0.978 10.597 10.570 1.00 0.00 C ATOM 614 CG GLU A 487 1.222 9.703 11.774 1.00 0.00 C ATOM 615 CD GLU A 487 1.459 10.490 13.049 1.00 0.00 C ATOM 616 OE1 GLU A 487 1.396 11.736 13.000 1.00 0.00 O ATOM 617 OE2 GLU A 487 1.709 9.859 14.098 1.00 0.00 O ATOM 0 H GLU A 487 0.437 11.717 8.412 1.00 0.00 H new ATOM 0 HA GLU A 487 1.437 9.107 9.090 1.00 0.00 H new ATOM 0 HB2 GLU A 487 1.865 11.206 10.394 1.00 0.00 H new ATOM 0 HB3 GLU A 487 0.161 11.282 10.796 1.00 0.00 H new ATOM 0 HG2 GLU A 487 0.364 9.045 11.912 1.00 0.00 H new ATOM 0 HG3 GLU A 487 2.085 9.066 11.579 1.00 0.00 H new ATOM 624 N GLN A 488 -1.783 9.745 9.269 1.00 0.00 N ATOM 625 CA GLN A 488 -3.097 9.129 9.414 1.00 0.00 C ATOM 626 C GLN A 488 -3.369 8.147 8.279 1.00 0.00 C ATOM 627 O GLN A 488 -3.938 7.078 8.495 1.00 0.00 O ATOM 628 CB GLN A 488 -4.185 10.205 9.446 1.00 0.00 C ATOM 629 CG GLN A 488 -4.103 11.118 10.657 1.00 0.00 C ATOM 630 CD GLN A 488 -5.159 12.206 10.639 1.00 0.00 C ATOM 631 OE1 GLN A 488 -5.771 12.476 9.606 1.00 0.00 O ATOM 632 NE2 GLN A 488 -5.376 12.840 11.786 1.00 0.00 N ATOM 0 H GLN A 488 -1.806 10.728 8.999 1.00 0.00 H new ATOM 0 HA GLN A 488 -3.110 8.578 10.355 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -4.114 10.809 8.541 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -5.162 9.722 9.431 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -4.214 10.524 11.564 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -3.115 11.576 10.696 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -4.846 12.584 12.619 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -6.073 13.583 11.834 1.00 0.00 H new ATOM 641 N THR A 489 -2.963 8.520 7.070 1.00 0.00 N ATOM 642 CA THR A 489 -3.166 7.674 5.900 1.00 0.00 C ATOM 643 C THR A 489 -2.453 6.335 6.063 1.00 0.00 C ATOM 644 O THR A 489 -3.033 5.278 5.820 1.00 0.00 O ATOM 645 CB THR A 489 -2.666 8.381 4.640 1.00 0.00 C ATOM 646 OG1 THR A 489 -3.262 9.660 4.512 1.00 0.00 O ATOM 647 CG2 THR A 489 -2.953 7.612 3.368 1.00 0.00 C ATOM 0 H THR A 489 -2.491 9.403 6.875 1.00 0.00 H new ATOM 0 HA THR A 489 -4.235 7.485 5.802 1.00 0.00 H new ATOM 0 HB THR A 489 -1.586 8.459 4.763 1.00 0.00 H new ATOM 0 HG1 THR A 489 -2.884 10.266 5.184 1.00 0.00 H new ATOM 0 HG21 THR A 489 -2.572 8.169 2.512 1.00 0.00 H new ATOM 0 HG22 THR A 489 -2.465 6.638 3.413 1.00 0.00 H new ATOM 0 HG23 THR A 489 -4.029 7.474 3.261 1.00 0.00 H new ATOM 655 N VAL A 490 -1.190 6.390 6.473 1.00 0.00 N ATOM 656 CA VAL A 490 -0.396 5.187 6.665 1.00 0.00 C ATOM 657 C VAL A 490 -0.988 4.301 7.756 1.00 0.00 C ATOM 658 O VAL A 490 -1.065 3.084 7.604 1.00 0.00 O ATOM 659 CB VAL A 490 1.055 5.535 7.034 1.00 0.00 C ATOM 660 CG1 VAL A 490 1.786 6.132 5.841 1.00 0.00 C ATOM 661 CG2 VAL A 490 1.101 6.480 8.226 1.00 0.00 C ATOM 0 H VAL A 490 -0.696 7.258 6.678 1.00 0.00 H new ATOM 0 HA VAL A 490 -0.407 4.644 5.720 1.00 0.00 H new ATOM 0 HB VAL A 490 1.563 4.613 7.316 1.00 0.00 H new ATOM 0 HG11 VAL A 490 2.811 6.371 6.125 1.00 0.00 H new ATOM 0 HG12 VAL A 490 1.794 5.413 5.022 1.00 0.00 H new ATOM 0 HG13 VAL A 490 1.277 7.041 5.520 1.00 0.00 H new ATOM 0 HG21 VAL A 490 2.139 6.711 8.467 1.00 0.00 H new ATOM 0 HG22 VAL A 490 0.572 7.401 7.981 1.00 0.00 H new ATOM 0 HG23 VAL A 490 0.626 6.006 9.085 1.00 0.00 H new ATOM 671 N ASN A 491 -1.400 4.919 8.855 1.00 0.00 N ATOM 672 CA ASN A 491 -1.980 4.185 9.977 1.00 0.00 C ATOM 673 C ASN A 491 -3.119 3.277 9.516 1.00 0.00 C ATOM 674 O ASN A 491 -3.303 2.181 10.046 1.00 0.00 O ATOM 675 CB ASN A 491 -2.490 5.159 11.040 1.00 0.00 C ATOM 676 CG ASN A 491 -1.372 5.969 11.666 1.00 0.00 C ATOM 677 OD1 ASN A 491 -0.201 5.597 11.588 1.00 0.00 O ATOM 678 ND2 ASN A 491 -1.728 7.086 12.290 1.00 0.00 N ATOM 0 H ASN A 491 -1.344 5.928 8.996 1.00 0.00 H new ATOM 0 HA ASN A 491 -1.198 3.560 10.407 1.00 0.00 H new ATOM 0 HB2 ASN A 491 -3.217 5.835 10.590 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -3.012 4.602 11.819 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -1.019 7.673 12.729 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -2.711 7.357 12.331 1.00 0.00 H new ATOM 685 N VAL A 492 -3.883 3.741 8.534 1.00 0.00 N ATOM 686 CA VAL A 492 -5.005 2.970 8.010 1.00 0.00 C ATOM 687 C VAL A 492 -4.541 1.915 7.010 1.00 0.00 C ATOM 688 O VAL A 492 -4.776 0.721 7.198 1.00 0.00 O ATOM 689 CB VAL A 492 -6.043 3.883 7.329 1.00 0.00 C ATOM 690 CG1 VAL A 492 -7.280 3.089 6.938 1.00 0.00 C ATOM 691 CG2 VAL A 492 -6.411 5.043 8.241 1.00 0.00 C ATOM 0 H VAL A 492 -3.747 4.646 8.085 1.00 0.00 H new ATOM 0 HA VAL A 492 -5.467 2.473 8.863 1.00 0.00 H new ATOM 0 HB VAL A 492 -5.601 4.291 6.420 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -8.001 3.751 6.459 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -6.999 2.296 6.245 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -7.727 2.650 7.830 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -7.145 5.678 7.744 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -6.834 4.657 9.168 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -5.518 5.627 8.465 1.00 0.00 H new ATOM 701 N LEU A 493 -3.891 2.364 5.941 1.00 0.00 N ATOM 702 CA LEU A 493 -3.403 1.459 4.904 1.00 0.00 C ATOM 703 C LEU A 493 -2.405 0.451 5.469 1.00 0.00 C ATOM 704 O LEU A 493 -2.472 -0.738 5.162 1.00 0.00 O ATOM 705 CB LEU A 493 -2.754 2.256 3.771 1.00 0.00 C ATOM 706 CG LEU A 493 -3.711 3.142 2.973 1.00 0.00 C ATOM 707 CD1 LEU A 493 -2.939 4.208 2.209 1.00 0.00 C ATOM 708 CD2 LEU A 493 -4.544 2.300 2.019 1.00 0.00 C ATOM 0 H LEU A 493 -3.690 3.349 5.769 1.00 0.00 H new ATOM 0 HA LEU A 493 -4.258 0.907 4.514 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -1.968 2.883 4.192 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -2.272 1.558 3.086 1.00 0.00 H new ATOM 0 HG LEU A 493 -4.384 3.639 3.671 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -3.636 4.829 1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -2.385 4.830 2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -2.243 3.730 1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -5.220 2.946 1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -3.885 1.776 1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -5.125 1.573 2.587 1.00 0.00 H new ATOM 720 N ALA A 494 -1.481 0.931 6.291 1.00 0.00 N ATOM 721 CA ALA A 494 -0.473 0.063 6.889 1.00 0.00 C ATOM 722 C ALA A 494 -1.121 -1.023 7.738 1.00 0.00 C ATOM 723 O ALA A 494 -0.705 -2.180 7.706 1.00 0.00 O ATOM 724 CB ALA A 494 0.503 0.877 7.725 1.00 0.00 C ATOM 0 H ALA A 494 -1.408 1.913 6.559 1.00 0.00 H new ATOM 0 HA ALA A 494 0.077 -0.420 6.082 1.00 0.00 H new ATOM 0 HB1 ALA A 494 1.248 0.213 8.164 1.00 0.00 H new ATOM 0 HB2 ALA A 494 1.000 1.612 7.092 1.00 0.00 H new ATOM 0 HB3 ALA A 494 -0.039 1.390 8.520 1.00 0.00 H new ATOM 730 N GLN A 495 -2.143 -0.641 8.494 1.00 0.00 N ATOM 731 CA GLN A 495 -2.851 -1.581 9.355 1.00 0.00 C ATOM 732 C GLN A 495 -3.757 -2.497 8.537 1.00 0.00 C ATOM 733 O GLN A 495 -3.786 -3.708 8.753 1.00 0.00 O ATOM 734 CB GLN A 495 -3.679 -0.826 10.398 1.00 0.00 C ATOM 735 CG GLN A 495 -2.836 -0.128 11.453 1.00 0.00 C ATOM 736 CD GLN A 495 -2.078 -1.104 12.332 1.00 0.00 C ATOM 737 OE1 GLN A 495 -2.642 -2.079 12.827 1.00 0.00 O ATOM 738 NE2 GLN A 495 -0.790 -0.844 12.531 1.00 0.00 N ATOM 0 H GLN A 495 -2.500 0.314 8.529 1.00 0.00 H new ATOM 0 HA GLN A 495 -2.109 -2.196 9.864 1.00 0.00 H new ATOM 0 HB2 GLN A 495 -4.299 -0.086 9.892 1.00 0.00 H new ATOM 0 HB3 GLN A 495 -4.355 -1.526 10.889 1.00 0.00 H new ATOM 0 HG2 GLN A 495 -2.128 0.540 10.963 1.00 0.00 H new ATOM 0 HG3 GLN A 495 -3.480 0.492 12.076 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -0.363 -0.024 12.101 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -0.229 -1.465 13.114 1.00 0.00 H new ATOM 747 N ILE A 496 -4.492 -1.911 7.598 1.00 0.00 N ATOM 748 CA ILE A 496 -5.397 -2.679 6.750 1.00 0.00 C ATOM 749 C ILE A 496 -4.622 -3.671 5.887 1.00 0.00 C ATOM 750 O ILE A 496 -5.017 -4.827 5.739 1.00 0.00 O ATOM 751 CB ILE A 496 -6.251 -1.747 5.853 1.00 0.00 C ATOM 752 CG1 ILE A 496 -7.627 -2.362 5.607 1.00 0.00 C ATOM 753 CG2 ILE A 496 -5.557 -1.447 4.529 1.00 0.00 C ATOM 754 CD1 ILE A 496 -8.656 -1.366 5.119 1.00 0.00 C ATOM 0 H ILE A 496 -4.479 -0.910 7.405 1.00 0.00 H new ATOM 0 HA ILE A 496 -6.068 -3.235 7.405 1.00 0.00 H new ATOM 0 HB ILE A 496 -6.374 -0.801 6.381 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -7.532 -3.163 4.874 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -7.983 -2.817 6.531 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -6.187 -0.791 3.928 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -4.602 -0.957 4.721 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -5.385 -2.378 3.989 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -9.609 -1.873 4.966 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -8.780 -0.578 5.861 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -8.322 -0.929 4.178 1.00 0.00 H new ATOM 766 N LEU A 497 -3.516 -3.203 5.323 1.00 0.00 N ATOM 767 CA LEU A 497 -2.673 -4.035 4.473 1.00 0.00 C ATOM 768 C LEU A 497 -1.900 -5.061 5.297 1.00 0.00 C ATOM 769 O LEU A 497 -1.536 -6.124 4.795 1.00 0.00 O ATOM 770 CB LEU A 497 -1.699 -3.165 3.676 1.00 0.00 C ATOM 771 CG LEU A 497 -2.316 -2.427 2.485 1.00 0.00 C ATOM 772 CD1 LEU A 497 -1.905 -0.963 2.488 1.00 0.00 C ATOM 773 CD2 LEU A 497 -1.911 -3.094 1.178 1.00 0.00 C ATOM 0 H LEU A 497 -3.180 -2.247 5.440 1.00 0.00 H new ATOM 0 HA LEU A 497 -3.322 -4.572 3.781 1.00 0.00 H new ATOM 0 HB2 LEU A 497 -1.257 -2.431 4.349 1.00 0.00 H new ATOM 0 HB3 LEU A 497 -0.887 -3.795 3.313 1.00 0.00 H new ATOM 0 HG LEU A 497 -3.401 -2.476 2.576 1.00 0.00 H new ATOM 0 HD11 LEU A 497 -2.354 -0.457 1.633 1.00 0.00 H new ATOM 0 HD12 LEU A 497 -2.246 -0.491 3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 497 -0.819 -0.890 2.423 1.00 0.00 H new ATOM 0 HD21 LEU A 497 -2.358 -2.557 0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 497 -0.825 -3.077 1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 497 -2.259 -4.127 1.174 1.00 0.00 H new ATOM 785 N LYS A 498 -1.644 -4.735 6.561 1.00 0.00 N ATOM 786 CA LYS A 498 -0.905 -5.630 7.449 1.00 0.00 C ATOM 787 C LYS A 498 -1.454 -7.053 7.390 1.00 0.00 C ATOM 788 O LYS A 498 -0.716 -8.003 7.132 1.00 0.00 O ATOM 789 CB LYS A 498 -0.962 -5.115 8.887 1.00 0.00 C ATOM 790 CG LYS A 498 0.085 -5.738 9.798 1.00 0.00 C ATOM 791 CD LYS A 498 -0.484 -6.908 10.583 1.00 0.00 C ATOM 792 CE LYS A 498 0.620 -7.794 11.137 1.00 0.00 C ATOM 793 NZ LYS A 498 0.105 -9.129 11.548 1.00 0.00 N ATOM 0 H LYS A 498 -1.937 -3.859 6.994 1.00 0.00 H new ATOM 0 HA LYS A 498 0.131 -5.650 7.111 1.00 0.00 H new ATOM 0 HB2 LYS A 498 -0.830 -4.033 8.882 1.00 0.00 H new ATOM 0 HB3 LYS A 498 -1.952 -5.314 9.296 1.00 0.00 H new ATOM 0 HG2 LYS A 498 0.932 -6.076 9.202 1.00 0.00 H new ATOM 0 HG3 LYS A 498 0.462 -4.984 10.489 1.00 0.00 H new ATOM 0 HD2 LYS A 498 -1.098 -6.534 11.402 1.00 0.00 H new ATOM 0 HD3 LYS A 498 -1.137 -7.497 9.939 1.00 0.00 H new ATOM 0 HE2 LYS A 498 1.397 -7.921 10.383 1.00 0.00 H new ATOM 0 HE3 LYS A 498 1.084 -7.304 11.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 0.898 -9.797 11.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 -0.374 -9.048 12.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 -0.569 -9.475 10.836 1.00 0.00 H new ATOM 807 N ARG A 499 -2.752 -7.192 7.636 1.00 0.00 N ATOM 808 CA ARG A 499 -3.403 -8.499 7.619 1.00 0.00 C ATOM 809 C ARG A 499 -3.656 -8.983 6.191 1.00 0.00 C ATOM 810 O ARG A 499 -3.935 -10.161 5.970 1.00 0.00 O ATOM 811 CB ARG A 499 -4.724 -8.441 8.387 1.00 0.00 C ATOM 812 CG ARG A 499 -4.556 -8.122 9.863 1.00 0.00 C ATOM 813 CD ARG A 499 -5.881 -8.198 10.604 1.00 0.00 C ATOM 814 NE ARG A 499 -5.779 -7.679 11.966 1.00 0.00 N ATOM 815 CZ ARG A 499 -6.829 -7.344 12.713 1.00 0.00 C ATOM 816 NH1 ARG A 499 -8.060 -7.471 12.233 1.00 0.00 N ATOM 817 NH2 ARG A 499 -6.646 -6.879 13.941 1.00 0.00 N ATOM 0 H ARG A 499 -3.376 -6.414 7.850 1.00 0.00 H new ATOM 0 HA ARG A 499 -2.731 -9.208 8.103 1.00 0.00 H new ATOM 0 HB2 ARG A 499 -5.366 -7.687 7.932 1.00 0.00 H new ATOM 0 HB3 ARG A 499 -5.235 -9.398 8.287 1.00 0.00 H new ATOM 0 HG2 ARG A 499 -3.848 -8.821 10.309 1.00 0.00 H new ATOM 0 HG3 ARG A 499 -4.132 -7.124 9.975 1.00 0.00 H new ATOM 0 HD2 ARG A 499 -6.635 -7.633 10.056 1.00 0.00 H new ATOM 0 HD3 ARG A 499 -6.220 -9.234 10.635 1.00 0.00 H new ATOM 0 HE ARG A 499 -4.848 -7.567 12.368 1.00 0.00 H new ATOM 0 HH11 ARG A 499 -8.205 -7.827 11.288 1.00 0.00 H new ATOM 0 HH12 ARG A 499 -8.861 -7.213 12.809 1.00 0.00 H new ATOM 0 HH21 ARG A 499 -5.701 -6.778 14.313 1.00 0.00 H new ATOM 0 HH22 ARG A 499 -7.450 -6.622 14.514 1.00 0.00 H new ATOM 831 N LEU A 500 -3.572 -8.071 5.225 1.00 0.00 N ATOM 832 CA LEU A 500 -3.806 -8.414 3.824 1.00 0.00 C ATOM 833 C LEU A 500 -3.041 -9.669 3.414 1.00 0.00 C ATOM 834 O LEU A 500 -3.532 -10.473 2.622 1.00 0.00 O ATOM 835 CB LEU A 500 -3.417 -7.245 2.916 1.00 0.00 C ATOM 836 CG LEU A 500 -3.750 -7.438 1.436 1.00 0.00 C ATOM 837 CD1 LEU A 500 -5.251 -7.335 1.209 1.00 0.00 C ATOM 838 CD2 LEU A 500 -3.010 -6.417 0.586 1.00 0.00 C ATOM 0 H LEU A 500 -3.344 -7.090 5.386 1.00 0.00 H new ATOM 0 HA LEU A 500 -4.871 -8.619 3.711 1.00 0.00 H new ATOM 0 HB2 LEU A 500 -3.919 -6.345 3.272 1.00 0.00 H new ATOM 0 HB3 LEU A 500 -2.345 -7.071 3.012 1.00 0.00 H new ATOM 0 HG LEU A 500 -3.425 -8.435 1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 500 -5.469 -7.475 0.150 1.00 0.00 H new ATOM 0 HD12 LEU A 500 -5.760 -8.104 1.789 1.00 0.00 H new ATOM 0 HD13 LEU A 500 -5.600 -6.352 1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -3.259 -6.569 -0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 500 -3.304 -5.411 0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 500 -1.936 -6.538 0.726 1.00 0.00 H new ATOM 850 N ASN A 501 -1.840 -9.833 3.954 1.00 0.00 N ATOM 851 CA ASN A 501 -1.014 -10.994 3.638 1.00 0.00 C ATOM 852 C ASN A 501 -0.758 -11.092 2.135 1.00 0.00 C ATOM 853 O ASN A 501 -0.991 -12.136 1.524 1.00 0.00 O ATOM 854 CB ASN A 501 -1.685 -12.274 4.142 1.00 0.00 C ATOM 855 CG ASN A 501 -0.730 -13.452 4.174 1.00 0.00 C ATOM 856 OD1 ASN A 501 -0.499 -13.993 5.365 1.00 0.00 O flip ATOM 857 ND2 ASN A 501 -0.208 -13.872 3.141 1.00 0.00 N flip ATOM 0 H ASN A 501 -1.416 -9.179 4.612 1.00 0.00 H new ATOM 0 HA ASN A 501 -0.054 -10.874 4.140 1.00 0.00 H new ATOM 0 HB2 ASN A 501 -2.081 -12.104 5.143 1.00 0.00 H new ATOM 0 HB3 ASN A 501 -2.533 -12.514 3.500 1.00 0.00 H new ATOM 0 HD21 ASN A 501 -0.414 -13.426 2.247 1.00 0.00 H new ATOM 0 HD22 ASN A 501 0.431 -14.666 3.179 1.00 0.00 H new ATOM 864 N PRO A 502 -0.271 -10.002 1.518 1.00 0.00 N ATOM 865 CA PRO A 502 0.017 -9.971 0.083 1.00 0.00 C ATOM 866 C PRO A 502 1.323 -10.681 -0.261 1.00 0.00 C ATOM 867 O PRO A 502 2.323 -10.536 0.441 1.00 0.00 O ATOM 868 CB PRO A 502 0.130 -8.476 -0.211 1.00 0.00 C ATOM 869 CG PRO A 502 0.630 -7.885 1.061 1.00 0.00 C ATOM 870 CD PRO A 502 0.039 -8.715 2.170 1.00 0.00 C ATOM 0 HA PRO A 502 -0.746 -10.483 -0.503 1.00 0.00 H new ATOM 0 HB2 PRO A 502 0.817 -8.284 -1.035 1.00 0.00 H new ATOM 0 HB3 PRO A 502 -0.834 -8.053 -0.494 1.00 0.00 H new ATOM 0 HG2 PRO A 502 1.719 -7.905 1.098 1.00 0.00 H new ATOM 0 HG3 PRO A 502 0.327 -6.842 1.151 1.00 0.00 H new ATOM 0 HD2 PRO A 502 0.742 -8.842 2.993 1.00 0.00 H new ATOM 0 HD3 PRO A 502 -0.856 -8.250 2.584 1.00 0.00 H new ATOM 878 N GLU A 503 1.307 -11.447 -1.348 1.00 0.00 N ATOM 879 CA GLU A 503 2.492 -12.175 -1.783 1.00 0.00 C ATOM 880 C GLU A 503 3.611 -11.210 -2.164 1.00 0.00 C ATOM 881 O GLU A 503 3.368 -10.184 -2.798 1.00 0.00 O ATOM 882 CB GLU A 503 2.155 -13.079 -2.970 1.00 0.00 C ATOM 883 CG GLU A 503 1.141 -14.162 -2.642 1.00 0.00 C ATOM 884 CD GLU A 503 1.629 -15.109 -1.563 1.00 0.00 C ATOM 885 OE1 GLU A 503 2.853 -15.150 -1.317 1.00 0.00 O ATOM 886 OE2 GLU A 503 0.787 -15.812 -0.964 1.00 0.00 O ATOM 0 H GLU A 503 0.488 -11.579 -1.942 1.00 0.00 H new ATOM 0 HA GLU A 503 2.835 -12.793 -0.953 1.00 0.00 H new ATOM 0 HB2 GLU A 503 1.769 -12.466 -3.784 1.00 0.00 H new ATOM 0 HB3 GLU A 503 3.071 -13.548 -3.330 1.00 0.00 H new ATOM 0 HG2 GLU A 503 0.210 -13.697 -2.318 1.00 0.00 H new ATOM 0 HG3 GLU A 503 0.917 -14.730 -3.545 1.00 0.00 H new ATOM 893 N ARG A 504 4.836 -11.545 -1.771 1.00 0.00 N ATOM 894 CA ARG A 504 5.989 -10.705 -2.073 1.00 0.00 C ATOM 895 C ARG A 504 6.822 -11.305 -3.201 1.00 0.00 C ATOM 896 O ARG A 504 7.270 -12.449 -3.116 1.00 0.00 O ATOM 897 CB ARG A 504 6.854 -10.523 -0.824 1.00 0.00 C ATOM 898 CG ARG A 504 7.309 -11.833 -0.202 1.00 0.00 C ATOM 899 CD ARG A 504 8.229 -11.596 0.986 1.00 0.00 C ATOM 900 NE ARG A 504 8.821 -12.839 1.475 1.00 0.00 N ATOM 901 CZ ARG A 504 9.920 -12.892 2.225 1.00 0.00 C ATOM 902 NH1 ARG A 504 10.548 -11.777 2.576 1.00 0.00 N ATOM 903 NH2 ARG A 504 10.391 -14.065 2.625 1.00 0.00 N ATOM 0 H ARG A 504 5.055 -12.390 -1.244 1.00 0.00 H new ATOM 0 HA ARG A 504 5.622 -9.731 -2.398 1.00 0.00 H new ATOM 0 HB2 ARG A 504 7.731 -9.930 -1.083 1.00 0.00 H new ATOM 0 HB3 ARG A 504 6.292 -9.955 -0.083 1.00 0.00 H new ATOM 0 HG2 ARG A 504 6.439 -12.406 0.119 1.00 0.00 H new ATOM 0 HG3 ARG A 504 7.827 -12.432 -0.951 1.00 0.00 H new ATOM 0 HD2 ARG A 504 9.022 -10.905 0.699 1.00 0.00 H new ATOM 0 HD3 ARG A 504 7.668 -11.121 1.790 1.00 0.00 H new ATOM 0 HE ARG A 504 8.366 -13.718 1.227 1.00 0.00 H new ATOM 0 HH11 ARG A 504 10.189 -10.872 2.271 1.00 0.00 H new ATOM 0 HH12 ARG A 504 11.389 -11.825 3.151 1.00 0.00 H new ATOM 0 HH21 ARG A 504 9.912 -14.925 2.358 1.00 0.00 H new ATOM 0 HH22 ARG A 504 11.233 -14.108 3.200 1.00 0.00 H new ATOM 917 N LYS A 505 7.026 -10.524 -4.257 1.00 0.00 N ATOM 918 CA LYS A 505 7.806 -10.976 -5.403 1.00 0.00 C ATOM 919 C LYS A 505 8.828 -9.920 -5.813 1.00 0.00 C ATOM 920 O LYS A 505 8.580 -8.721 -5.692 1.00 0.00 O ATOM 921 CB LYS A 505 6.884 -11.293 -6.582 1.00 0.00 C ATOM 922 CG LYS A 505 5.905 -12.422 -6.301 1.00 0.00 C ATOM 923 CD LYS A 505 5.094 -12.776 -7.537 1.00 0.00 C ATOM 924 CE LYS A 505 4.034 -13.821 -7.227 1.00 0.00 C ATOM 925 NZ LYS A 505 4.541 -15.205 -7.432 1.00 0.00 N ATOM 0 H LYS A 505 6.662 -9.575 -4.343 1.00 0.00 H new ATOM 0 HA LYS A 505 8.339 -11.882 -5.114 1.00 0.00 H new ATOM 0 HB2 LYS A 505 6.325 -10.396 -6.847 1.00 0.00 H new ATOM 0 HB3 LYS A 505 7.492 -11.557 -7.447 1.00 0.00 H new ATOM 0 HG2 LYS A 505 6.450 -13.301 -5.958 1.00 0.00 H new ATOM 0 HG3 LYS A 505 5.232 -12.130 -5.495 1.00 0.00 H new ATOM 0 HD2 LYS A 505 4.617 -11.878 -7.930 1.00 0.00 H new ATOM 0 HD3 LYS A 505 5.759 -13.151 -8.315 1.00 0.00 H new ATOM 0 HE2 LYS A 505 3.701 -13.706 -6.195 1.00 0.00 H new ATOM 0 HE3 LYS A 505 3.164 -13.655 -7.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 3.788 -15.887 -7.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 4.835 -15.324 -8.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 5.355 -15.373 -6.807 1.00 0.00 H new ATOM 939 N MET A 506 9.980 -10.375 -6.298 1.00 0.00 N ATOM 940 CA MET A 506 11.039 -9.468 -6.725 1.00 0.00 C ATOM 941 C MET A 506 10.928 -9.165 -8.216 1.00 0.00 C ATOM 942 O MET A 506 11.180 -10.029 -9.056 1.00 0.00 O ATOM 943 CB MET A 506 12.411 -10.070 -6.415 1.00 0.00 C ATOM 944 CG MET A 506 12.708 -11.344 -7.189 1.00 0.00 C ATOM 945 SD MET A 506 14.072 -12.286 -6.481 1.00 0.00 S ATOM 946 CE MET A 506 13.317 -12.898 -4.977 1.00 0.00 C ATOM 0 H MET A 506 10.203 -11.365 -6.405 1.00 0.00 H new ATOM 0 HA MET A 506 10.927 -8.534 -6.174 1.00 0.00 H new ATOM 0 HB2 MET A 506 13.181 -9.332 -6.639 1.00 0.00 H new ATOM 0 HB3 MET A 506 12.473 -10.281 -5.347 1.00 0.00 H new ATOM 0 HG2 MET A 506 11.814 -11.967 -7.211 1.00 0.00 H new ATOM 0 HG3 MET A 506 12.945 -11.090 -8.222 1.00 0.00 H new ATOM 0 HE1 MET A 506 13.867 -13.770 -4.623 1.00 0.00 H new ATOM 0 HE2 MET A 506 13.341 -12.119 -4.215 1.00 0.00 H new ATOM 0 HE3 MET A 506 12.283 -13.178 -5.177 1.00 0.00 H new ATOM 956 N ILE A 507 10.549 -7.932 -8.537 1.00 0.00 N ATOM 957 CA ILE A 507 10.406 -7.514 -9.927 1.00 0.00 C ATOM 958 C ILE A 507 11.343 -6.356 -10.251 1.00 0.00 C ATOM 959 O ILE A 507 11.357 -5.342 -9.553 1.00 0.00 O ATOM 960 CB ILE A 507 8.957 -7.090 -10.239 1.00 0.00 C ATOM 961 CG1 ILE A 507 7.976 -8.171 -9.780 1.00 0.00 C ATOM 962 CG2 ILE A 507 8.793 -6.817 -11.726 1.00 0.00 C ATOM 963 CD1 ILE A 507 6.525 -7.773 -9.930 1.00 0.00 C ATOM 0 H ILE A 507 10.336 -7.205 -7.854 1.00 0.00 H new ATOM 0 HA ILE A 507 10.667 -8.373 -10.545 1.00 0.00 H new ATOM 0 HB ILE A 507 8.738 -6.171 -9.694 1.00 0.00 H new ATOM 0 HG12 ILE A 507 8.156 -9.081 -10.353 1.00 0.00 H new ATOM 0 HG13 ILE A 507 8.173 -8.409 -8.735 1.00 0.00 H new ATOM 0 HG21 ILE A 507 7.765 -6.519 -11.930 1.00 0.00 H new ATOM 0 HG22 ILE A 507 9.469 -6.016 -12.026 1.00 0.00 H new ATOM 0 HG23 ILE A 507 9.028 -7.720 -12.290 1.00 0.00 H new ATOM 0 HD11 ILE A 507 5.887 -8.587 -9.586 1.00 0.00 H new ATOM 0 HD12 ILE A 507 6.329 -6.881 -9.335 1.00 0.00 H new ATOM 0 HD13 ILE A 507 6.312 -7.564 -10.978 1.00 0.00 H new ATOM 975 N ASN A 508 12.126 -6.514 -11.313 1.00 0.00 N ATOM 976 CA ASN A 508 13.068 -5.481 -11.731 1.00 0.00 C ATOM 977 C ASN A 508 14.050 -5.153 -10.609 1.00 0.00 C ATOM 978 O ASN A 508 14.352 -3.987 -10.354 1.00 0.00 O ATOM 979 CB ASN A 508 12.316 -4.217 -12.153 1.00 0.00 C ATOM 980 CG ASN A 508 13.117 -3.361 -13.114 1.00 0.00 C ATOM 981 OD1 ASN A 508 14.040 -3.844 -13.772 1.00 0.00 O ATOM 982 ND2 ASN A 508 12.769 -2.083 -13.201 1.00 0.00 N ATOM 0 H ASN A 508 12.127 -7.348 -11.900 1.00 0.00 H new ATOM 0 HA ASN A 508 13.632 -5.861 -12.583 1.00 0.00 H new ATOM 0 HB2 ASN A 508 11.373 -4.498 -12.621 1.00 0.00 H new ATOM 0 HB3 ASN A 508 12.070 -3.631 -11.267 1.00 0.00 H new ATOM 0 HD21 ASN A 508 13.273 -1.459 -13.831 1.00 0.00 H new ATOM 0 HD22 ASN A 508 11.998 -1.725 -12.637 1.00 0.00 H new ATOM 989 N ASP A 509 14.544 -6.192 -9.942 1.00 0.00 N ATOM 990 CA ASP A 509 15.491 -6.016 -8.847 1.00 0.00 C ATOM 991 C ASP A 509 14.886 -5.170 -7.731 1.00 0.00 C ATOM 992 O ASP A 509 15.596 -4.449 -7.031 1.00 0.00 O ATOM 993 CB ASP A 509 16.777 -5.363 -9.358 1.00 0.00 C ATOM 994 CG ASP A 509 17.865 -5.326 -8.302 1.00 0.00 C ATOM 995 OD1 ASP A 509 18.574 -6.342 -8.145 1.00 0.00 O ATOM 996 OD2 ASP A 509 18.009 -4.282 -7.633 1.00 0.00 O ATOM 0 H ASP A 509 14.304 -7.163 -10.141 1.00 0.00 H new ATOM 0 HA ASP A 509 15.726 -7.001 -8.443 1.00 0.00 H new ATOM 0 HB2 ASP A 509 17.138 -5.910 -10.229 1.00 0.00 H new ATOM 0 HB3 ASP A 509 16.559 -4.347 -9.688 1.00 0.00 H new ATOM 1001 N LYS A 510 13.570 -5.263 -7.573 1.00 0.00 N ATOM 1002 CA LYS A 510 12.869 -4.506 -6.541 1.00 0.00 C ATOM 1003 C LYS A 510 11.703 -5.311 -5.975 1.00 0.00 C ATOM 1004 O LYS A 510 10.972 -5.969 -6.716 1.00 0.00 O ATOM 1005 CB LYS A 510 12.361 -3.180 -7.108 1.00 0.00 C ATOM 1006 CG LYS A 510 11.733 -2.273 -6.063 1.00 0.00 C ATOM 1007 CD LYS A 510 11.195 -0.995 -6.687 1.00 0.00 C ATOM 1008 CE LYS A 510 10.697 -0.026 -5.626 1.00 0.00 C ATOM 1009 NZ LYS A 510 11.814 0.727 -4.991 1.00 0.00 N ATOM 0 H LYS A 510 12.967 -5.854 -8.145 1.00 0.00 H new ATOM 0 HA LYS A 510 13.572 -4.302 -5.734 1.00 0.00 H new ATOM 0 HB2 LYS A 510 13.191 -2.655 -7.581 1.00 0.00 H new ATOM 0 HB3 LYS A 510 11.627 -3.385 -7.888 1.00 0.00 H new ATOM 0 HG2 LYS A 510 10.924 -2.802 -5.559 1.00 0.00 H new ATOM 0 HG3 LYS A 510 12.474 -2.024 -5.303 1.00 0.00 H new ATOM 0 HD2 LYS A 510 11.978 -0.519 -7.278 1.00 0.00 H new ATOM 0 HD3 LYS A 510 10.382 -1.237 -7.371 1.00 0.00 H new ATOM 0 HE2 LYS A 510 9.996 0.677 -6.077 1.00 0.00 H new ATOM 0 HE3 LYS A 510 10.149 -0.576 -4.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 11.432 1.376 -4.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 12.470 0.059 -4.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 12.321 1.273 -5.717 1.00 0.00 H new ATOM 1023 N MET A 511 11.534 -5.253 -4.659 1.00 0.00 N ATOM 1024 CA MET A 511 10.457 -5.977 -3.994 1.00 0.00 C ATOM 1025 C MET A 511 9.109 -5.317 -4.264 1.00 0.00 C ATOM 1026 O MET A 511 8.948 -4.111 -4.078 1.00 0.00 O ATOM 1027 CB MET A 511 10.713 -6.042 -2.487 1.00 0.00 C ATOM 1028 CG MET A 511 10.767 -4.678 -1.820 1.00 0.00 C ATOM 1029 SD MET A 511 11.338 -4.762 -0.110 1.00 0.00 S ATOM 1030 CE MET A 511 11.166 -3.051 0.390 1.00 0.00 C ATOM 0 H MET A 511 12.129 -4.712 -4.031 1.00 0.00 H new ATOM 0 HA MET A 511 10.432 -6.990 -4.396 1.00 0.00 H new ATOM 0 HB2 MET A 511 9.928 -6.635 -2.019 1.00 0.00 H new ATOM 0 HB3 MET A 511 11.654 -6.562 -2.309 1.00 0.00 H new ATOM 0 HG2 MET A 511 11.430 -4.026 -2.389 1.00 0.00 H new ATOM 0 HG3 MET A 511 9.776 -4.226 -1.846 1.00 0.00 H new ATOM 0 HE1 MET A 511 11.481 -2.942 1.428 1.00 0.00 H new ATOM 0 HE2 MET A 511 11.788 -2.422 -0.246 1.00 0.00 H new ATOM 0 HE3 MET A 511 10.124 -2.747 0.293 1.00 0.00 H new ATOM 1040 N HIS A 512 8.142 -6.117 -4.704 1.00 0.00 N ATOM 1041 CA HIS A 512 6.806 -5.611 -5.000 1.00 0.00 C ATOM 1042 C HIS A 512 5.739 -6.479 -4.342 1.00 0.00 C ATOM 1043 O HIS A 512 6.020 -7.587 -3.884 1.00 0.00 O ATOM 1044 CB HIS A 512 6.580 -5.564 -6.512 1.00 0.00 C ATOM 1045 CG HIS A 512 7.334 -4.468 -7.197 1.00 0.00 C ATOM 1046 ND1 HIS A 512 8.556 -4.661 -7.805 1.00 0.00 N ATOM 1047 CD2 HIS A 512 7.032 -3.159 -7.371 1.00 0.00 C ATOM 1048 CE1 HIS A 512 8.974 -3.518 -8.323 1.00 0.00 C ATOM 1049 NE2 HIS A 512 8.067 -2.593 -8.073 1.00 0.00 N ATOM 0 H HIS A 512 8.259 -7.118 -4.863 1.00 0.00 H new ATOM 0 HA HIS A 512 6.728 -4.602 -4.596 1.00 0.00 H new ATOM 0 HB2 HIS A 512 6.873 -6.521 -6.945 1.00 0.00 H new ATOM 0 HB3 HIS A 512 5.515 -5.438 -6.708 1.00 0.00 H new ATOM 0 HD2 HIS A 512 6.143 -2.655 -7.022 1.00 0.00 H new ATOM 0 HE1 HIS A 512 9.899 -3.368 -8.859 1.00 0.00 H new ATOM 0 HE2 HIS A 512 8.125 -1.615 -8.356 1.00 0.00 H new ATOM 1058 N PHE A 513 4.513 -5.970 -4.299 1.00 0.00 N ATOM 1059 CA PHE A 513 3.402 -6.700 -3.698 1.00 0.00 C ATOM 1060 C PHE A 513 2.463 -7.241 -4.771 1.00 0.00 C ATOM 1061 O PHE A 513 2.075 -6.521 -5.691 1.00 0.00 O ATOM 1062 CB PHE A 513 2.629 -5.795 -2.737 1.00 0.00 C ATOM 1063 CG PHE A 513 3.301 -5.620 -1.405 1.00 0.00 C ATOM 1064 CD1 PHE A 513 3.158 -6.576 -0.412 1.00 0.00 C ATOM 1065 CD2 PHE A 513 4.072 -4.500 -1.145 1.00 0.00 C ATOM 1066 CE1 PHE A 513 3.771 -6.418 0.816 1.00 0.00 C ATOM 1067 CE2 PHE A 513 4.690 -4.335 0.080 1.00 0.00 C ATOM 1068 CZ PHE A 513 4.539 -5.295 1.063 1.00 0.00 C ATOM 0 H PHE A 513 4.263 -5.055 -4.673 1.00 0.00 H new ATOM 0 HA PHE A 513 3.813 -7.542 -3.141 1.00 0.00 H new ATOM 0 HB2 PHE A 513 2.497 -4.817 -3.199 1.00 0.00 H new ATOM 0 HB3 PHE A 513 1.634 -6.211 -2.581 1.00 0.00 H new ATOM 0 HD1 PHE A 513 2.560 -7.455 -0.600 1.00 0.00 H new ATOM 0 HD2 PHE A 513 4.192 -3.746 -1.909 1.00 0.00 H new ATOM 0 HE1 PHE A 513 3.651 -7.170 1.582 1.00 0.00 H new ATOM 0 HE2 PHE A 513 5.290 -3.457 0.269 1.00 0.00 H new ATOM 0 HZ PHE A 513 5.020 -5.168 2.022 1.00 0.00 H new ATOM 1078 N SER A 514 2.101 -8.514 -4.646 1.00 0.00 N ATOM 1079 CA SER A 514 1.207 -9.152 -5.606 1.00 0.00 C ATOM 1080 C SER A 514 0.168 -10.009 -4.892 1.00 0.00 C ATOM 1081 O SER A 514 0.462 -10.646 -3.880 1.00 0.00 O ATOM 1082 CB SER A 514 2.007 -10.010 -6.588 1.00 0.00 C ATOM 1083 OG SER A 514 1.164 -10.575 -7.576 1.00 0.00 O ATOM 0 H SER A 514 2.413 -9.124 -3.890 1.00 0.00 H new ATOM 0 HA SER A 514 0.688 -8.369 -6.159 1.00 0.00 H new ATOM 0 HB2 SER A 514 2.775 -9.401 -7.066 1.00 0.00 H new ATOM 0 HB3 SER A 514 2.521 -10.804 -6.047 1.00 0.00 H new ATOM 0 HG SER A 514 1.700 -11.117 -8.192 1.00 0.00 H new ATOM 1089 N LEU A 515 -1.050 -10.021 -5.426 1.00 0.00 N ATOM 1090 CA LEU A 515 -2.134 -10.800 -4.841 1.00 0.00 C ATOM 1091 C LEU A 515 -2.796 -11.687 -5.890 1.00 0.00 C ATOM 1092 O LEU A 515 -2.947 -11.292 -7.046 1.00 0.00 O ATOM 1093 CB LEU A 515 -3.173 -9.871 -4.208 1.00 0.00 C ATOM 1094 CG LEU A 515 -2.990 -9.621 -2.710 1.00 0.00 C ATOM 1095 CD1 LEU A 515 -3.516 -8.246 -2.330 1.00 0.00 C ATOM 1096 CD2 LEU A 515 -3.690 -10.705 -1.903 1.00 0.00 C ATOM 0 H LEU A 515 -1.310 -9.499 -6.263 1.00 0.00 H new ATOM 0 HA LEU A 515 -1.711 -11.441 -4.067 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -3.145 -8.913 -4.727 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -4.164 -10.294 -4.372 1.00 0.00 H new ATOM 0 HG LEU A 515 -1.925 -9.654 -2.481 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -3.377 -8.086 -1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -2.971 -7.482 -2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -4.577 -8.183 -2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -3.551 -10.514 -0.839 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -4.755 -10.702 -2.136 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -3.266 -11.677 -2.155 1.00 0.00 H new ATOM 1108 N LYS A 516 -3.189 -12.888 -5.478 1.00 0.00 N ATOM 1109 CA LYS A 516 -3.836 -13.832 -6.382 1.00 0.00 C ATOM 1110 C LYS A 516 -5.175 -14.293 -5.817 1.00 0.00 C ATOM 1111 O LYS A 516 -5.225 -15.094 -4.883 1.00 0.00 O ATOM 1112 CB LYS A 516 -2.929 -15.039 -6.625 1.00 0.00 C ATOM 1113 CG LYS A 516 -3.459 -15.995 -7.682 1.00 0.00 C ATOM 1114 CD LYS A 516 -3.194 -15.477 -9.088 1.00 0.00 C ATOM 1115 CE LYS A 516 -2.124 -16.295 -9.792 1.00 0.00 C ATOM 1116 NZ LYS A 516 -1.652 -15.634 -11.041 1.00 0.00 N ATOM 0 H LYS A 516 -3.071 -13.230 -4.524 1.00 0.00 H new ATOM 0 HA LYS A 516 -4.017 -13.325 -7.330 1.00 0.00 H new ATOM 0 HB2 LYS A 516 -1.943 -14.687 -6.927 1.00 0.00 H new ATOM 0 HB3 LYS A 516 -2.801 -15.581 -5.688 1.00 0.00 H new ATOM 0 HG2 LYS A 516 -2.990 -16.971 -7.559 1.00 0.00 H new ATOM 0 HG3 LYS A 516 -4.531 -16.136 -7.541 1.00 0.00 H new ATOM 0 HD2 LYS A 516 -4.117 -15.507 -9.668 1.00 0.00 H new ATOM 0 HD3 LYS A 516 -2.882 -14.434 -9.039 1.00 0.00 H new ATOM 0 HE2 LYS A 516 -1.280 -16.445 -9.119 1.00 0.00 H new ATOM 0 HE3 LYS A 516 -2.520 -17.282 -10.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 -0.923 -16.223 -11.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 -2.452 -15.514 -11.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 -1.251 -14.703 -10.811 1.00 0.00 H new ATOM 1130 N GLU A 517 -6.261 -13.782 -6.389 1.00 0.00 N ATOM 1131 CA GLU A 517 -7.602 -14.142 -5.943 1.00 0.00 C ATOM 1132 C GLU A 517 -8.199 -15.228 -6.831 1.00 0.00 C ATOM 1133 O GLU A 517 -8.932 -16.089 -6.301 1.00 0.00 O ATOM 1134 CB GLU A 517 -8.508 -12.910 -5.943 1.00 0.00 C ATOM 1135 CG GLU A 517 -8.745 -12.327 -7.327 1.00 0.00 C ATOM 1136 CD GLU A 517 -9.545 -11.038 -7.290 1.00 0.00 C ATOM 1137 OE1 GLU A 517 -10.090 -10.707 -6.217 1.00 0.00 O ATOM 1138 OE2 GLU A 517 -9.625 -10.361 -8.337 1.00 0.00 O ATOM 1139 OXT GLU A 517 -7.928 -15.209 -8.050 1.00 0.00 O ATOM 0 H GLU A 517 -6.238 -13.117 -7.162 1.00 0.00 H new ATOM 0 HA GLU A 517 -7.528 -14.531 -4.927 1.00 0.00 H new ATOM 0 HB2 GLU A 517 -9.468 -13.176 -5.501 1.00 0.00 H new ATOM 0 HB3 GLU A 517 -8.065 -12.144 -5.306 1.00 0.00 H new ATOM 0 HG2 GLU A 517 -7.785 -12.140 -7.807 1.00 0.00 H new ATOM 0 HG3 GLU A 517 -9.271 -13.059 -7.940 1.00 0.00 H new ATOM 1187 N GLU B 945 8.349 13.497 2.850 1.00 0.00 N ATOM 1188 CA GLU B 945 7.295 12.887 3.651 1.00 0.00 C ATOM 1189 C GLU B 945 6.633 11.737 2.896 1.00 0.00 C ATOM 1190 O GLU B 945 6.166 10.772 3.500 1.00 0.00 O ATOM 1191 CB GLU B 945 6.245 13.932 4.032 1.00 0.00 C ATOM 1192 CG GLU B 945 6.781 15.030 4.936 1.00 0.00 C ATOM 1193 CD GLU B 945 5.710 16.021 5.351 1.00 0.00 C ATOM 1194 OE1 GLU B 945 4.612 15.992 4.757 1.00 0.00 O ATOM 1195 OE2 GLU B 945 5.971 16.826 6.270 1.00 0.00 O ATOM 0 HA GLU B 945 7.748 12.489 4.559 1.00 0.00 H new ATOM 0 HB2 GLU B 945 5.847 14.383 3.123 1.00 0.00 H new ATOM 0 HB3 GLU B 945 5.414 13.435 4.532 1.00 0.00 H new ATOM 0 HG2 GLU B 945 7.219 14.580 5.827 1.00 0.00 H new ATOM 0 HG3 GLU B 945 7.582 15.561 4.421 1.00 0.00 H new ATOM 1202 N ALA B 946 6.595 11.850 1.572 1.00 0.00 N ATOM 1203 CA ALA B 946 5.988 10.820 0.735 1.00 0.00 C ATOM 1204 C ALA B 946 6.684 9.476 0.920 1.00 0.00 C ATOM 1205 O ALA B 946 6.030 8.450 1.113 1.00 0.00 O ATOM 1206 CB ALA B 946 6.029 11.240 -0.727 1.00 0.00 C ATOM 0 H ALA B 946 6.977 12.643 1.056 1.00 0.00 H new ATOM 0 HA ALA B 946 4.949 10.704 1.042 1.00 0.00 H new ATOM 0 HB1 ALA B 946 5.573 10.464 -1.342 1.00 0.00 H new ATOM 0 HB2 ALA B 946 5.479 12.172 -0.853 1.00 0.00 H new ATOM 0 HB3 ALA B 946 7.064 11.385 -1.035 1.00 0.00 H new ATOM 1212 N ASP B 947 8.011 9.487 0.860 1.00 0.00 N ATOM 1213 CA ASP B 947 8.792 8.265 1.021 1.00 0.00 C ATOM 1214 C ASP B 947 8.620 7.688 2.423 1.00 0.00 C ATOM 1215 O ASP B 947 8.611 6.471 2.607 1.00 0.00 O ATOM 1216 CB ASP B 947 10.271 8.538 0.743 1.00 0.00 C ATOM 1217 CG ASP B 947 10.875 9.521 1.726 1.00 0.00 C ATOM 1218 OD1 ASP B 947 10.959 9.185 2.927 1.00 0.00 O ATOM 1219 OD2 ASP B 947 11.261 10.629 1.297 1.00 0.00 O ATOM 0 H ASP B 947 8.568 10.327 0.701 1.00 0.00 H new ATOM 0 HA ASP B 947 8.426 7.533 0.301 1.00 0.00 H new ATOM 0 HB2 ASP B 947 10.824 7.600 0.786 1.00 0.00 H new ATOM 0 HB3 ASP B 947 10.381 8.927 -0.269 1.00 0.00 H new ATOM 1224 N GLU B 948 8.486 8.570 3.408 1.00 0.00 N ATOM 1225 CA GLU B 948 8.315 8.147 4.793 1.00 0.00 C ATOM 1226 C GLU B 948 7.025 7.351 4.964 1.00 0.00 C ATOM 1227 O GLU B 948 6.976 6.386 5.727 1.00 0.00 O ATOM 1228 CB GLU B 948 8.304 9.363 5.722 1.00 0.00 C ATOM 1229 CG GLU B 948 8.699 9.040 7.153 1.00 0.00 C ATOM 1230 CD GLU B 948 7.791 8.005 7.788 1.00 0.00 C ATOM 1231 OE1 GLU B 948 6.559 8.212 7.781 1.00 0.00 O ATOM 1232 OE2 GLU B 948 8.311 6.988 8.294 1.00 0.00 O ATOM 0 H GLU B 948 8.493 9.581 3.273 1.00 0.00 H new ATOM 0 HA GLU B 948 9.155 7.504 5.056 1.00 0.00 H new ATOM 0 HB2 GLU B 948 8.985 10.117 5.328 1.00 0.00 H new ATOM 0 HB3 GLU B 948 7.306 9.802 5.720 1.00 0.00 H new ATOM 0 HG2 GLU B 948 9.726 8.676 7.169 1.00 0.00 H new ATOM 0 HG3 GLU B 948 8.675 9.953 7.748 1.00 0.00 H new ATOM 1239 N MET B 949 5.984 7.762 4.249 1.00 0.00 N ATOM 1240 CA MET B 949 4.692 7.088 4.321 1.00 0.00 C ATOM 1241 C MET B 949 4.814 5.629 3.887 1.00 0.00 C ATOM 1242 O MET B 949 4.157 4.749 4.443 1.00 0.00 O ATOM 1243 CB MET B 949 3.668 7.808 3.441 1.00 0.00 C ATOM 1244 CG MET B 949 3.333 9.211 3.922 1.00 0.00 C ATOM 1245 SD MET B 949 2.313 10.123 2.748 1.00 0.00 S ATOM 1246 CE MET B 949 0.716 9.353 3.011 1.00 0.00 C ATOM 0 H MET B 949 6.009 8.559 3.613 1.00 0.00 H new ATOM 0 HA MET B 949 4.354 7.114 5.357 1.00 0.00 H new ATOM 0 HB2 MET B 949 4.052 7.864 2.422 1.00 0.00 H new ATOM 0 HB3 MET B 949 2.753 7.217 3.405 1.00 0.00 H new ATOM 0 HG2 MET B 949 2.812 9.149 4.878 1.00 0.00 H new ATOM 0 HG3 MET B 949 4.258 9.761 4.098 1.00 0.00 H new ATOM 0 HE1 MET B 949 -0.064 10.114 2.987 1.00 0.00 H new ATOM 0 HE2 MET B 949 0.532 8.620 2.226 1.00 0.00 H new ATOM 0 HE3 MET B 949 0.707 8.856 3.981 1.00 0.00 H new ATOM 1256 N ALA B 950 5.657 5.382 2.891 1.00 0.00 N ATOM 1257 CA ALA B 950 5.864 4.032 2.380 1.00 0.00 C ATOM 1258 C ALA B 950 6.547 3.146 3.418 1.00 0.00 C ATOM 1259 O ALA B 950 6.232 1.962 3.541 1.00 0.00 O ATOM 1260 CB ALA B 950 6.684 4.073 1.100 1.00 0.00 C ATOM 0 H ALA B 950 6.209 6.100 2.421 1.00 0.00 H new ATOM 0 HA ALA B 950 4.887 3.601 2.162 1.00 0.00 H new ATOM 0 HB1 ALA B 950 6.831 3.059 0.729 1.00 0.00 H new ATOM 0 HB2 ALA B 950 6.157 4.661 0.349 1.00 0.00 H new ATOM 0 HB3 ALA B 950 7.653 4.529 1.303 1.00 0.00 H new ATOM 1266 N LYS B 951 7.486 3.726 4.159 1.00 0.00 N ATOM 1267 CA LYS B 951 8.216 2.988 5.183 1.00 0.00 C ATOM 1268 C LYS B 951 7.265 2.413 6.228 1.00 0.00 C ATOM 1269 O LYS B 951 7.392 1.254 6.626 1.00 0.00 O ATOM 1270 CB LYS B 951 9.245 3.897 5.859 1.00 0.00 C ATOM 1271 CG LYS B 951 10.141 3.171 6.848 1.00 0.00 C ATOM 1272 CD LYS B 951 11.100 4.128 7.538 1.00 0.00 C ATOM 1273 CE LYS B 951 12.105 3.384 8.402 1.00 0.00 C ATOM 1274 NZ LYS B 951 13.382 4.135 8.542 1.00 0.00 N ATOM 0 H LYS B 951 7.759 4.705 4.069 1.00 0.00 H new ATOM 0 HA LYS B 951 8.733 2.160 4.697 1.00 0.00 H new ATOM 0 HB2 LYS B 951 9.865 4.362 5.093 1.00 0.00 H new ATOM 0 HB3 LYS B 951 8.722 4.701 6.377 1.00 0.00 H new ATOM 0 HG2 LYS B 951 9.527 2.668 7.595 1.00 0.00 H new ATOM 0 HG3 LYS B 951 10.708 2.398 6.328 1.00 0.00 H new ATOM 0 HD2 LYS B 951 11.629 4.718 6.789 1.00 0.00 H new ATOM 0 HD3 LYS B 951 10.536 4.828 8.155 1.00 0.00 H new ATOM 0 HE2 LYS B 951 11.676 3.210 9.389 1.00 0.00 H new ATOM 0 HE3 LYS B 951 12.305 2.406 7.965 1.00 0.00 H new ATOM 0 HZ1 LYS B 951 14.040 3.593 9.138 1.00 0.00 H new ATOM 0 HZ2 LYS B 951 13.805 4.279 7.603 1.00 0.00 H new ATOM 0 HZ3 LYS B 951 13.195 5.058 8.983 1.00 0.00 H new ATOM 1288 N ALA B 952 6.315 3.230 6.672 1.00 0.00 N ATOM 1289 CA ALA B 952 5.345 2.801 7.672 1.00 0.00 C ATOM 1290 C ALA B 952 4.397 1.750 7.106 1.00 0.00 C ATOM 1291 O ALA B 952 4.014 0.807 7.799 1.00 0.00 O ATOM 1292 CB ALA B 952 4.560 3.997 8.190 1.00 0.00 C ATOM 0 H ALA B 952 6.197 4.192 6.355 1.00 0.00 H new ATOM 0 HA ALA B 952 5.891 2.349 8.500 1.00 0.00 H new ATOM 0 HB1 ALA B 952 3.839 3.663 8.936 1.00 0.00 H new ATOM 0 HB2 ALA B 952 5.245 4.714 8.643 1.00 0.00 H new ATOM 0 HB3 ALA B 952 4.033 4.472 7.363 1.00 0.00 H new ATOM 1298 N LEU B 953 4.019 1.919 5.843 1.00 0.00 N ATOM 1299 CA LEU B 953 3.111 0.987 5.185 1.00 0.00 C ATOM 1300 C LEU B 953 3.773 -0.373 4.978 1.00 0.00 C ATOM 1301 O LEU B 953 3.153 -1.414 5.197 1.00 0.00 O ATOM 1302 CB LEU B 953 2.659 1.552 3.837 1.00 0.00 C ATOM 1303 CG LEU B 953 1.572 0.743 3.127 1.00 0.00 C ATOM 1304 CD1 LEU B 953 0.197 1.315 3.430 1.00 0.00 C ATOM 1305 CD2 LEU B 953 1.823 0.714 1.625 1.00 0.00 C ATOM 0 H LEU B 953 4.328 2.693 5.255 1.00 0.00 H new ATOM 0 HA LEU B 953 2.243 0.853 5.830 1.00 0.00 H new ATOM 0 HB2 LEU B 953 2.293 2.567 3.990 1.00 0.00 H new ATOM 0 HB3 LEU B 953 3.526 1.621 3.180 1.00 0.00 H new ATOM 0 HG LEU B 953 1.606 -0.281 3.500 1.00 0.00 H new ATOM 0 HD11 LEU B 953 -0.563 0.726 2.916 1.00 0.00 H new ATOM 0 HD12 LEU B 953 0.018 1.281 4.505 1.00 0.00 H new ATOM 0 HD13 LEU B 953 0.149 2.348 3.087 1.00 0.00 H new ATOM 0 HD21 LEU B 953 1.040 0.134 1.136 1.00 0.00 H new ATOM 0 HD22 LEU B 953 1.817 1.732 1.235 1.00 0.00 H new ATOM 0 HD23 LEU B 953 2.792 0.255 1.427 1.00 0.00 H new ATOM 1317 N GLU B 954 5.031 -0.356 4.551 1.00 0.00 N ATOM 1318 CA GLU B 954 5.773 -1.589 4.311 1.00 0.00 C ATOM 1319 C GLU B 954 6.201 -2.241 5.622 1.00 0.00 C ATOM 1320 O GLU B 954 6.071 -3.453 5.794 1.00 0.00 O ATOM 1321 CB GLU B 954 7.003 -1.305 3.443 1.00 0.00 C ATOM 1322 CG GLU B 954 8.055 -0.454 4.136 1.00 0.00 C ATOM 1323 CD GLU B 954 9.198 -0.076 3.213 1.00 0.00 C ATOM 1324 OE1 GLU B 954 8.924 0.346 2.070 1.00 0.00 O ATOM 1325 OE2 GLU B 954 10.367 -0.203 3.635 1.00 0.00 O ATOM 0 H GLU B 954 5.558 0.497 4.364 1.00 0.00 H new ATOM 0 HA GLU B 954 5.114 -2.281 3.787 1.00 0.00 H new ATOM 0 HB2 GLU B 954 7.453 -2.252 3.145 1.00 0.00 H new ATOM 0 HB3 GLU B 954 6.684 -0.802 2.530 1.00 0.00 H new ATOM 0 HG2 GLU B 954 7.588 0.453 4.521 1.00 0.00 H new ATOM 0 HG3 GLU B 954 8.450 -0.998 4.994 1.00 0.00 H new ATOM 1332 N ALA B 955 6.717 -1.431 6.541 1.00 0.00 N ATOM 1333 CA ALA B 955 7.170 -1.931 7.834 1.00 0.00 C ATOM 1334 C ALA B 955 6.047 -2.644 8.581 1.00 0.00 C ATOM 1335 O ALA B 955 6.294 -3.573 9.350 1.00 0.00 O ATOM 1336 CB ALA B 955 7.721 -0.789 8.674 1.00 0.00 C ATOM 0 H ALA B 955 6.832 -0.425 6.414 1.00 0.00 H new ATOM 0 HA ALA B 955 7.963 -2.657 7.654 1.00 0.00 H new ATOM 0 HB1 ALA B 955 8.056 -1.174 9.637 1.00 0.00 H new ATOM 0 HB2 ALA B 955 8.562 -0.328 8.155 1.00 0.00 H new ATOM 0 HB3 ALA B 955 6.941 -0.045 8.833 1.00 0.00 H new ATOM 1342 N GLU B 956 4.814 -2.204 8.355 1.00 0.00 N ATOM 1343 CA GLU B 956 3.658 -2.802 9.014 1.00 0.00 C ATOM 1344 C GLU B 956 3.390 -4.209 8.487 1.00 0.00 C ATOM 1345 O GLU B 956 3.257 -5.155 9.262 1.00 0.00 O ATOM 1346 CB GLU B 956 2.422 -1.924 8.815 1.00 0.00 C ATOM 1347 CG GLU B 956 1.295 -2.234 9.788 1.00 0.00 C ATOM 1348 CD GLU B 956 1.694 -2.009 11.233 1.00 0.00 C ATOM 1349 OE1 GLU B 956 2.614 -1.201 11.476 1.00 0.00 O ATOM 1350 OE2 GLU B 956 1.086 -2.642 12.122 1.00 0.00 O ATOM 0 H GLU B 956 4.589 -1.437 7.722 1.00 0.00 H new ATOM 0 HA GLU B 956 3.878 -2.873 10.079 1.00 0.00 H new ATOM 0 HB2 GLU B 956 2.708 -0.878 8.924 1.00 0.00 H new ATOM 0 HB3 GLU B 956 2.057 -2.050 7.796 1.00 0.00 H new ATOM 0 HG2 GLU B 956 0.434 -1.609 9.551 1.00 0.00 H new ATOM 0 HG3 GLU B 956 0.983 -3.270 9.658 1.00 0.00 H new ATOM 1357 N LEU B 957 3.308 -4.339 7.166 1.00 0.00 N ATOM 1358 CA LEU B 957 3.053 -5.633 6.542 1.00 0.00 C ATOM 1359 C LEU B 957 4.257 -6.559 6.689 1.00 0.00 C ATOM 1360 O LEU B 957 4.113 -7.782 6.711 1.00 0.00 O ATOM 1361 CB LEU B 957 2.702 -5.453 5.062 1.00 0.00 C ATOM 1362 CG LEU B 957 1.286 -5.888 4.676 1.00 0.00 C ATOM 1363 CD1 LEU B 957 1.035 -5.644 3.195 1.00 0.00 C ATOM 1364 CD2 LEU B 957 1.066 -7.353 5.020 1.00 0.00 C ATOM 0 H LEU B 957 3.414 -3.566 6.509 1.00 0.00 H new ATOM 0 HA LEU B 957 2.206 -6.092 7.052 1.00 0.00 H new ATOM 0 HB2 LEU B 957 2.828 -4.403 4.799 1.00 0.00 H new ATOM 0 HB3 LEU B 957 3.416 -6.019 4.463 1.00 0.00 H new ATOM 0 HG LEU B 957 0.576 -5.290 5.247 1.00 0.00 H new ATOM 0 HD11 LEU B 957 0.023 -5.960 2.941 1.00 0.00 H new ATOM 0 HD12 LEU B 957 1.150 -4.582 2.977 1.00 0.00 H new ATOM 0 HD13 LEU B 957 1.752 -6.215 2.605 1.00 0.00 H new ATOM 0 HD21 LEU B 957 0.054 -7.645 4.739 1.00 0.00 H new ATOM 0 HD22 LEU B 957 1.785 -7.966 4.477 1.00 0.00 H new ATOM 0 HD23 LEU B 957 1.201 -7.499 6.092 1.00 0.00 H new ATOM 1376 N ASN B 958 5.447 -5.971 6.787 1.00 0.00 N ATOM 1377 CA ASN B 958 6.675 -6.746 6.930 1.00 0.00 C ATOM 1378 C ASN B 958 6.599 -7.675 8.139 1.00 0.00 C ATOM 1379 O ASN B 958 7.180 -8.760 8.137 1.00 0.00 O ATOM 1380 CB ASN B 958 7.880 -5.814 7.066 1.00 0.00 C ATOM 1381 CG ASN B 958 8.230 -5.128 5.760 1.00 0.00 C ATOM 1382 OD1 ASN B 958 7.794 -5.547 4.689 1.00 0.00 O ATOM 1383 ND2 ASN B 958 9.022 -4.065 5.844 1.00 0.00 N ATOM 0 H ASN B 958 5.586 -4.961 6.770 1.00 0.00 H new ATOM 0 HA ASN B 958 6.793 -7.355 6.034 1.00 0.00 H new ATOM 0 HB2 ASN B 958 7.669 -5.060 7.824 1.00 0.00 H new ATOM 0 HB3 ASN B 958 8.740 -6.385 7.415 1.00 0.00 H new ATOM 0 HD21 ASN B 958 9.291 -3.562 4.999 1.00 0.00 H new ATOM 0 HD22 ASN B 958 9.361 -3.752 6.754 1.00 0.00 H new ATOM 1390 N ASP B 959 5.880 -7.242 9.169 1.00 0.00 N ATOM 1391 CA ASP B 959 5.729 -8.037 10.383 1.00 0.00 C ATOM 1392 C ASP B 959 4.905 -9.291 10.111 1.00 0.00 C ATOM 1393 O ASP B 959 5.219 -10.373 10.609 1.00 0.00 O ATOM 1394 CB ASP B 959 5.066 -7.206 11.483 1.00 0.00 C ATOM 1395 CG ASP B 959 5.928 -6.038 11.925 1.00 0.00 C ATOM 1396 OD1 ASP B 959 7.143 -6.054 11.635 1.00 0.00 O ATOM 1397 OD2 ASP B 959 5.387 -5.108 12.559 1.00 0.00 O ATOM 0 H ASP B 959 5.393 -6.346 9.188 1.00 0.00 H new ATOM 0 HA ASP B 959 6.722 -8.340 10.715 1.00 0.00 H new ATOM 0 HB2 ASP B 959 4.108 -6.831 11.124 1.00 0.00 H new ATOM 0 HB3 ASP B 959 4.857 -7.845 12.341 1.00 0.00 H new ATOM 1402 N LEU B 960 3.849 -9.139 9.319 1.00 0.00 N ATOM 1403 CA LEU B 960 2.979 -10.257 8.978 1.00 0.00 C ATOM 1404 C LEU B 960 3.600 -11.112 7.875 1.00 0.00 C ATOM 1405 O LEU B 960 3.429 -12.331 7.851 1.00 0.00 O ATOM 1406 CB LEU B 960 1.598 -9.738 8.550 1.00 0.00 C ATOM 1407 CG LEU B 960 0.840 -10.613 7.546 1.00 0.00 C ATOM 1408 CD1 LEU B 960 -0.653 -10.606 7.845 1.00 0.00 C ATOM 1409 CD2 LEU B 960 1.107 -10.137 6.124 1.00 0.00 C ATOM 0 H LEU B 960 3.575 -8.250 8.901 1.00 0.00 H new ATOM 0 HA LEU B 960 2.859 -10.885 9.861 1.00 0.00 H new ATOM 0 HB2 LEU B 960 0.981 -9.623 9.441 1.00 0.00 H new ATOM 0 HB3 LEU B 960 1.722 -8.745 8.118 1.00 0.00 H new ATOM 0 HG LEU B 960 1.198 -11.638 7.641 1.00 0.00 H new ATOM 0 HD11 LEU B 960 -1.172 -11.233 7.120 1.00 0.00 H new ATOM 0 HD12 LEU B 960 -0.825 -10.993 8.849 1.00 0.00 H new ATOM 0 HD13 LEU B 960 -1.032 -9.586 7.780 1.00 0.00 H new ATOM 0 HD21 LEU B 960 0.562 -10.767 5.421 1.00 0.00 H new ATOM 0 HD22 LEU B 960 0.775 -9.104 6.018 1.00 0.00 H new ATOM 0 HD23 LEU B 960 2.175 -10.198 5.914 1.00 0.00 H new ATOM 1421 N MET B 961 4.320 -10.465 6.965 1.00 0.00 N ATOM 1422 CA MET B 961 4.965 -11.166 5.860 1.00 0.00 C ATOM 1423 C MET B 961 3.931 -11.874 4.989 1.00 0.00 C ATOM 1424 O MET B 961 3.613 -11.348 3.902 1.00 0.00 O ATOM 1425 CB MET B 961 5.978 -12.180 6.393 1.00 0.00 C ATOM 1426 CG MET B 961 7.187 -11.541 7.056 1.00 0.00 C ATOM 1427 SD MET B 961 8.099 -10.456 5.941 1.00 0.00 S ATOM 1428 CE MET B 961 8.659 -11.631 4.711 1.00 0.00 C ATOM 1429 OXT MET B 961 3.449 -12.950 5.402 1.00 0.00 O ATOM 0 H MET B 961 4.472 -9.456 6.970 1.00 0.00 H new ATOM 0 HA MET B 961 5.486 -10.429 5.250 1.00 0.00 H new ATOM 0 HB2 MET B 961 5.482 -12.833 7.112 1.00 0.00 H new ATOM 0 HB3 MET B 961 6.316 -12.810 5.570 1.00 0.00 H new ATOM 0 HG2 MET B 961 6.860 -10.970 7.925 1.00 0.00 H new ATOM 0 HG3 MET B 961 7.853 -12.324 7.420 1.00 0.00 H new ATOM 0 HE1 MET B 961 9.749 -11.656 4.701 1.00 0.00 H new ATOM 0 HE2 MET B 961 8.275 -12.622 4.953 1.00 0.00 H new ATOM 0 HE3 MET B 961 8.294 -11.331 3.729 1.00 0.00 H new