USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 622 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 462 TYR OH : rot -172:sc= 0.124 USER MOD Set 1.2: A 476 LYS NZ :NH3+ -117:sc= 0.839 (180deg=-1.22!) USER MOD Single : A 455 THR OG1 : rot 180:sc= -0.519 USER MOD Single : A 464 THR OG1 : rot -70:sc= 0.232 USER MOD Single : A 466 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 468 MET CE :methyl -141:sc= -6.76! (180deg=-11.2!) USER MOD Single : A 469 THR OG1 : rot -152:sc= -0.788 USER MOD Single : A 470 THR OG1 : rot 119:sc= -1.24! USER MOD Single : A 471 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 475 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0149) 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=-0.00437 X(o=-0.0044,f=0) USER MOD Single : A 489 THR OG1 : rot 57:sc= 0.536 USER MOD Single : A 491 ASN : amide:sc=-0.00777 X(o=-0.0078,f=-0.058) USER MOD Single : A 495 GLN : amide:sc= -4.6 K(o=-4.6,f=-7.1!) USER MOD Single : A 498 LYS NZ :NH3+ 170:sc= -4.96! (180deg=-5.75!) USER MOD Single : A 501 ASN : amide:sc= -1.32 K(o=-1.3,f=-1.8!) USER MOD Single : A 505 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 506 MET CE :methyl 169:sc= -2.31 (180deg=-2.6!) USER MOD Single : A 508 ASN : amide:sc= -0.425 X(o=-0.42,f=-0.095) USER MOD Single : A 510 LYS NZ :NH3+ 168:sc= -0.685 (180deg=-0.959) USER MOD Single : A 511 MET CE :methyl 168:sc= -2.37! (180deg=-2.67) USER MOD Single : A 512 HIS : no HE2:sc= -9.87! C(o=-9.9!,f=-11!) USER MOD Single : A 514 SER OG : rot 109:sc= -5.19! USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 589 HIS :FLIP no HD1:sc= -1.25 F(o=-2.3!,f=-1.2) USER MOD Single : B 592 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N ASP B 587 2.360 -2.454 12.882 1.00 0.00 N ATOM 75 CA ASP B 587 3.210 -1.514 12.172 1.00 0.00 C ATOM 76 C ASP B 587 4.546 -2.144 11.788 1.00 0.00 C ATOM 77 O ASP B 587 5.217 -1.684 10.864 1.00 0.00 O ATOM 78 CB ASP B 587 3.443 -0.272 13.033 1.00 0.00 C ATOM 79 CG ASP B 587 3.215 1.015 12.267 1.00 0.00 C ATOM 80 OD1 ASP B 587 2.043 1.426 12.131 1.00 0.00 O ATOM 81 OD2 ASP B 587 4.208 1.614 11.802 1.00 0.00 O ATOM 0 HA ASP B 587 2.701 -1.229 11.251 1.00 0.00 H new ATOM 0 HB2 ASP B 587 2.777 -0.301 13.895 1.00 0.00 H new ATOM 0 HB3 ASP B 587 4.463 -0.286 13.418 1.00 0.00 H new ATOM 86 N ASP B 588 4.931 -3.193 12.507 1.00 0.00 N ATOM 87 CA ASP B 588 6.190 -3.882 12.248 1.00 0.00 C ATOM 88 C ASP B 588 6.338 -4.251 10.780 1.00 0.00 C ATOM 89 O ASP B 588 7.323 -3.893 10.133 1.00 0.00 O ATOM 90 CB ASP B 588 6.288 -5.130 13.110 1.00 0.00 C ATOM 91 CG ASP B 588 7.717 -5.605 13.286 1.00 0.00 C ATOM 92 OD1 ASP B 588 8.233 -6.285 12.375 1.00 0.00 O ATOM 93 OD2 ASP B 588 8.320 -5.295 14.335 1.00 0.00 O ATOM 0 H ASP B 588 4.388 -3.586 13.276 1.00 0.00 H new ATOM 0 HA ASP B 588 7.000 -3.199 12.503 1.00 0.00 H new ATOM 0 HB2 ASP B 588 5.853 -4.926 14.089 1.00 0.00 H new ATOM 0 HB3 ASP B 588 5.697 -5.927 12.658 1.00 0.00 H new ATOM 98 N HIS B 589 5.357 -4.968 10.266 1.00 0.00 N ATOM 99 CA HIS B 589 5.362 -5.396 8.877 1.00 0.00 C ATOM 100 C HIS B 589 4.910 -4.270 7.952 1.00 0.00 C ATOM 101 O HIS B 589 5.214 -4.274 6.760 1.00 0.00 O ATOM 102 CB HIS B 589 4.465 -6.620 8.691 1.00 0.00 C ATOM 103 CG HIS B 589 3.218 -6.598 9.519 1.00 0.00 C ATOM 104 ND1 HIS B 589 2.254 -5.657 9.644 1.00 0.00 N flip ATOM 105 CD2 HIS B 589 2.846 -7.637 10.346 1.00 0.00 C flip ATOM 106 CE1 HIS B 589 1.326 -6.139 10.533 1.00 0.00 C flip ATOM 107 NE2 HIS B 589 1.706 -7.336 10.941 1.00 0.00 N flip ATOM 0 H HIS B 589 4.538 -5.270 10.794 1.00 0.00 H new ATOM 0 HA HIS B 589 6.385 -5.664 8.614 1.00 0.00 H new ATOM 0 HB2 HIS B 589 4.188 -6.697 7.640 1.00 0.00 H new ATOM 0 HB3 HIS B 589 5.036 -7.516 8.937 1.00 0.00 H new ATOM 0 HD2 HIS B 589 3.400 -8.553 10.485 1.00 0.00 H new ATOM 0 HE1 HIS B 589 0.431 -5.623 10.848 1.00 0.00 H new ATOM 0 HE2 HIS B 589 1.204 -7.928 11.603 1.00 0.00 H new ATOM 116 N LEU B 590 4.184 -3.306 8.506 1.00 0.00 N ATOM 117 CA LEU B 590 3.695 -2.176 7.724 1.00 0.00 C ATOM 118 C LEU B 590 4.843 -1.479 7.000 1.00 0.00 C ATOM 119 O LEU B 590 4.757 -1.189 5.810 1.00 0.00 O ATOM 120 CB LEU B 590 2.968 -1.179 8.625 1.00 0.00 C ATOM 121 CG LEU B 590 2.574 0.131 7.943 1.00 0.00 C ATOM 122 CD1 LEU B 590 1.473 -0.110 6.919 1.00 0.00 C ATOM 123 CD2 LEU B 590 2.144 1.161 8.979 1.00 0.00 C ATOM 0 H LEU B 590 3.921 -3.284 9.491 1.00 0.00 H new ATOM 0 HA LEU B 590 2.996 -2.558 6.980 1.00 0.00 H new ATOM 0 HB2 LEU B 590 2.068 -1.653 9.017 1.00 0.00 H new ATOM 0 HB3 LEU B 590 3.605 -0.950 9.479 1.00 0.00 H new ATOM 0 HG LEU B 590 3.443 0.525 7.415 1.00 0.00 H new ATOM 0 HD11 LEU B 590 1.205 0.834 6.444 1.00 0.00 H new ATOM 0 HD12 LEU B 590 1.827 -0.810 6.162 1.00 0.00 H new ATOM 0 HD13 LEU B 590 0.598 -0.526 7.417 1.00 0.00 H new ATOM 0 HD21 LEU B 590 1.867 2.088 8.477 1.00 0.00 H new ATOM 0 HD22 LEU B 590 1.288 0.781 9.537 1.00 0.00 H new ATOM 0 HD23 LEU B 590 2.969 1.353 9.665 1.00 0.00 H new ATOM 135 N ILE B 591 5.915 -1.208 7.726 1.00 0.00 N ATOM 136 CA ILE B 591 7.071 -0.556 7.143 1.00 0.00 C ATOM 137 C ILE B 591 8.010 -1.583 6.506 1.00 0.00 C ATOM 138 O ILE B 591 8.714 -1.281 5.543 1.00 0.00 O ATOM 139 CB ILE B 591 7.825 0.297 8.185 1.00 0.00 C ATOM 140 CG1 ILE B 591 6.962 1.494 8.596 1.00 0.00 C ATOM 141 CG2 ILE B 591 9.165 0.770 7.632 1.00 0.00 C ATOM 142 CD1 ILE B 591 7.642 2.426 9.576 1.00 0.00 C ATOM 0 H ILE B 591 6.007 -1.430 8.717 1.00 0.00 H new ATOM 0 HA ILE B 591 6.711 0.115 6.363 1.00 0.00 H new ATOM 0 HB ILE B 591 8.023 -0.318 9.063 1.00 0.00 H new ATOM 0 HG12 ILE B 591 6.688 2.057 7.704 1.00 0.00 H new ATOM 0 HG13 ILE B 591 6.036 1.128 9.039 1.00 0.00 H new ATOM 0 HG21 ILE B 591 9.678 1.369 8.384 1.00 0.00 H new ATOM 0 HG22 ILE B 591 9.778 -0.094 7.376 1.00 0.00 H new ATOM 0 HG23 ILE B 591 8.998 1.373 6.740 1.00 0.00 H new ATOM 0 HD11 ILE B 591 6.971 3.249 9.821 1.00 0.00 H new ATOM 0 HD12 ILE B 591 7.892 1.879 10.485 1.00 0.00 H new ATOM 0 HD13 ILE B 591 8.554 2.822 9.129 1.00 0.00 H new ATOM 154 N TYR B 592 8.016 -2.798 7.056 1.00 0.00 N ATOM 155 CA TYR B 592 8.871 -3.871 6.547 1.00 0.00 C ATOM 156 C TYR B 592 8.442 -4.309 5.156 1.00 0.00 C ATOM 157 O TYR B 592 9.277 -4.462 4.266 1.00 0.00 O ATOM 158 CB TYR B 592 8.894 -5.052 7.533 1.00 0.00 C ATOM 159 CG TYR B 592 8.604 -6.396 6.905 1.00 0.00 C ATOM 160 CD1 TYR B 592 7.321 -6.718 6.496 1.00 0.00 C ATOM 161 CD2 TYR B 592 9.611 -7.332 6.710 1.00 0.00 C ATOM 162 CE1 TYR B 592 7.042 -7.928 5.911 1.00 0.00 C ATOM 163 CE2 TYR B 592 9.340 -8.556 6.124 1.00 0.00 C ATOM 164 CZ TYR B 592 8.052 -8.848 5.725 1.00 0.00 C ATOM 165 OH TYR B 592 7.776 -10.061 5.138 1.00 0.00 O ATOM 0 H TYR B 592 7.439 -3.064 7.854 1.00 0.00 H new ATOM 0 HA TYR B 592 9.887 -3.486 6.459 1.00 0.00 H new ATOM 0 HB2 TYR B 592 9.873 -5.092 8.011 1.00 0.00 H new ATOM 0 HB3 TYR B 592 8.163 -4.867 8.320 1.00 0.00 H new ATOM 0 HD1 TYR B 592 6.524 -6.003 6.640 1.00 0.00 H new ATOM 0 HD2 TYR B 592 10.620 -7.102 7.020 1.00 0.00 H new ATOM 0 HE1 TYR B 592 6.035 -8.159 5.597 1.00 0.00 H new ATOM 0 HE2 TYR B 592 10.131 -9.277 5.980 1.00 0.00 H new ATOM 0 HH TYR B 592 8.598 -10.591 5.081 1.00 0.00 H new ATOM 175 N LEU B 593 7.151 -4.494 4.961 1.00 0.00 N ATOM 176 CA LEU B 593 6.657 -4.896 3.653 1.00 0.00 C ATOM 177 C LEU B 593 6.860 -3.754 2.669 1.00 0.00 C ATOM 178 O LEU B 593 6.889 -3.954 1.459 1.00 0.00 O ATOM 179 CB LEU B 593 5.184 -5.346 3.711 1.00 0.00 C ATOM 180 CG LEU B 593 4.122 -4.274 3.424 1.00 0.00 C ATOM 181 CD1 LEU B 593 4.258 -3.127 4.398 1.00 0.00 C ATOM 182 CD2 LEU B 593 4.201 -3.780 1.985 1.00 0.00 C ATOM 0 H LEU B 593 6.433 -4.376 5.676 1.00 0.00 H new ATOM 0 HA LEU B 593 7.225 -5.761 3.312 1.00 0.00 H new ATOM 0 HB2 LEU B 593 5.048 -6.159 2.997 1.00 0.00 H new ATOM 0 HB3 LEU B 593 4.993 -5.757 4.702 1.00 0.00 H new ATOM 0 HG LEU B 593 3.140 -4.728 3.557 1.00 0.00 H new ATOM 0 HD11 LEU B 593 3.499 -2.375 4.183 1.00 0.00 H new ATOM 0 HD12 LEU B 593 4.125 -3.496 5.415 1.00 0.00 H new ATOM 0 HD13 LEU B 593 5.248 -2.682 4.300 1.00 0.00 H new ATOM 0 HD21 LEU B 593 3.435 -3.023 1.818 1.00 0.00 H new ATOM 0 HD22 LEU B 593 5.185 -3.348 1.802 1.00 0.00 H new ATOM 0 HD23 LEU B 593 4.040 -4.616 1.304 1.00 0.00 H new ATOM 194 N GLU B 594 7.017 -2.549 3.198 1.00 0.00 N ATOM 195 CA GLU B 594 7.236 -1.387 2.361 1.00 0.00 C ATOM 196 C GLU B 594 8.548 -1.524 1.598 1.00 0.00 C ATOM 197 O GLU B 594 8.693 -1.014 0.488 1.00 0.00 O ATOM 198 CB GLU B 594 7.252 -0.118 3.198 1.00 0.00 C ATOM 199 CG GLU B 594 7.164 1.156 2.374 1.00 0.00 C ATOM 200 CD GLU B 594 6.303 2.218 3.031 1.00 0.00 C ATOM 201 OE1 GLU B 594 5.402 1.851 3.813 1.00 0.00 O ATOM 202 OE2 GLU B 594 6.532 3.416 2.764 1.00 0.00 O ATOM 0 H GLU B 594 6.996 -2.355 4.199 1.00 0.00 H new ATOM 0 HA GLU B 594 6.416 -1.322 1.646 1.00 0.00 H new ATOM 0 HB2 GLU B 594 6.418 -0.145 3.900 1.00 0.00 H new ATOM 0 HB3 GLU B 594 8.167 -0.095 3.790 1.00 0.00 H new ATOM 0 HG2 GLU B 594 8.167 1.553 2.217 1.00 0.00 H new ATOM 0 HG3 GLU B 594 6.757 0.921 1.391 1.00 0.00 H new ATOM 209 N GLU B 595 9.505 -2.214 2.214 1.00 0.00 N ATOM 210 CA GLU B 595 10.818 -2.419 1.609 1.00 0.00 C ATOM 211 C GLU B 595 10.746 -3.378 0.430 1.00 0.00 C ATOM 212 O GLU B 595 11.307 -3.116 -0.634 1.00 0.00 O ATOM 213 CB GLU B 595 11.830 -2.908 2.659 1.00 0.00 C ATOM 214 CG GLU B 595 11.861 -4.419 2.858 1.00 0.00 C ATOM 215 CD GLU B 595 12.712 -5.127 1.822 1.00 0.00 C ATOM 216 OE1 GLU B 595 13.913 -4.798 1.716 1.00 0.00 O ATOM 217 OE2 GLU B 595 12.180 -6.010 1.119 1.00 0.00 O ATOM 0 H GLU B 595 9.395 -2.641 3.134 1.00 0.00 H new ATOM 0 HA GLU B 595 11.161 -1.458 1.226 1.00 0.00 H new ATOM 0 HB2 GLU B 595 12.826 -2.573 2.368 1.00 0.00 H new ATOM 0 HB3 GLU B 595 11.601 -2.434 3.613 1.00 0.00 H new ATOM 0 HG2 GLU B 595 12.246 -4.643 3.853 1.00 0.00 H new ATOM 0 HG3 GLU B 595 10.844 -4.808 2.815 1.00 0.00 H new ATOM 224 N ILE B 596 10.043 -4.481 0.620 1.00 0.00 N ATOM 225 CA ILE B 596 9.887 -5.477 -0.444 1.00 0.00 C ATOM 226 C ILE B 596 9.255 -4.852 -1.675 1.00 0.00 C ATOM 227 O ILE B 596 9.452 -5.313 -2.799 1.00 0.00 O ATOM 228 CB ILE B 596 9.035 -6.679 0.005 1.00 0.00 C ATOM 229 CG1 ILE B 596 7.648 -6.218 0.437 1.00 0.00 C ATOM 230 CG2 ILE B 596 9.724 -7.428 1.132 1.00 0.00 C ATOM 231 CD1 ILE B 596 6.562 -7.221 0.140 1.00 0.00 C ATOM 0 H ILE B 596 9.571 -4.715 1.493 1.00 0.00 H new ATOM 0 HA ILE B 596 10.887 -5.837 -0.684 1.00 0.00 H new ATOM 0 HB ILE B 596 8.923 -7.358 -0.840 1.00 0.00 H new ATOM 0 HG12 ILE B 596 7.659 -6.012 1.507 1.00 0.00 H new ATOM 0 HG13 ILE B 596 7.413 -5.280 -0.065 1.00 0.00 H new ATOM 0 HG21 ILE B 596 9.108 -8.274 1.437 1.00 0.00 H new ATOM 0 HG22 ILE B 596 10.693 -7.790 0.789 1.00 0.00 H new ATOM 0 HG23 ILE B 596 9.866 -6.759 1.980 1.00 0.00 H new ATOM 0 HD11 ILE B 596 5.602 -6.827 0.474 1.00 0.00 H new ATOM 0 HD12 ILE B 596 6.524 -7.409 -0.933 1.00 0.00 H new ATOM 0 HD13 ILE B 596 6.774 -8.153 0.664 1.00 0.00 H new ATOM 243 N LEU B 597 8.489 -3.803 -1.442 1.00 0.00 N ATOM 244 CA LEU B 597 7.806 -3.092 -2.504 1.00 0.00 C ATOM 245 C LEU B 597 8.759 -2.279 -3.348 1.00 0.00 C ATOM 246 O LEU B 597 9.157 -2.684 -4.441 1.00 0.00 O ATOM 247 CB LEU B 597 6.760 -2.168 -1.894 1.00 0.00 C ATOM 248 CG LEU B 597 6.297 -1.019 -2.799 1.00 0.00 C ATOM 249 CD1 LEU B 597 5.653 -1.559 -4.059 1.00 0.00 C ATOM 250 CD2 LEU B 597 5.341 -0.106 -2.051 1.00 0.00 C ATOM 0 H LEU B 597 8.323 -3.420 -0.511 1.00 0.00 H new ATOM 0 HA LEU B 597 7.337 -3.831 -3.153 1.00 0.00 H new ATOM 0 HB2 LEU B 597 5.890 -2.763 -1.616 1.00 0.00 H new ATOM 0 HB3 LEU B 597 7.164 -1.745 -0.974 1.00 0.00 H new ATOM 0 HG LEU B 597 7.170 -0.434 -3.089 1.00 0.00 H new ATOM 0 HD11 LEU B 597 5.331 -0.729 -4.688 1.00 0.00 H new ATOM 0 HD12 LEU B 597 6.374 -2.169 -4.604 1.00 0.00 H new ATOM 0 HD13 LEU B 597 4.789 -2.169 -3.794 1.00 0.00 H new ATOM 0 HD21 LEU B 597 5.022 0.704 -2.708 1.00 0.00 H new ATOM 0 HD22 LEU B 597 4.470 -0.677 -1.729 1.00 0.00 H new ATOM 0 HD23 LEU B 597 5.844 0.311 -1.179 1.00 0.00 H new ATOM 262 N VAL B 598 9.083 -1.111 -2.839 1.00 0.00 N ATOM 263 CA VAL B 598 9.942 -0.191 -3.534 1.00 0.00 C ATOM 264 C VAL B 598 10.870 0.510 -2.562 1.00 0.00 C ATOM 265 O VAL B 598 11.267 1.656 -2.775 1.00 0.00 O ATOM 266 CB VAL B 598 9.112 0.859 -4.293 1.00 0.00 C ATOM 267 CG1 VAL B 598 8.206 0.204 -5.329 1.00 0.00 C ATOM 268 CG2 VAL B 598 8.291 1.685 -3.316 1.00 0.00 C ATOM 0 H VAL B 598 8.756 -0.777 -1.932 1.00 0.00 H new ATOM 0 HA VAL B 598 10.535 -0.762 -4.248 1.00 0.00 H new ATOM 0 HB VAL B 598 9.801 1.518 -4.821 1.00 0.00 H new ATOM 0 HG11 VAL B 598 7.633 0.972 -5.848 1.00 0.00 H new ATOM 0 HG12 VAL B 598 8.814 -0.344 -6.049 1.00 0.00 H new ATOM 0 HG13 VAL B 598 7.523 -0.485 -4.832 1.00 0.00 H new ATOM 0 HG21 VAL B 598 7.708 2.424 -3.865 1.00 0.00 H new ATOM 0 HG22 VAL B 598 7.618 1.031 -2.762 1.00 0.00 H new ATOM 0 HG23 VAL B 598 8.958 2.193 -2.619 1.00 0.00 H new ATOM 367 N VAL A 454 -8.493 -6.844 -2.044 1.00 0.00 N ATOM 368 CA VAL A 454 -7.282 -6.161 -2.475 1.00 0.00 C ATOM 369 C VAL A 454 -6.702 -6.838 -3.705 1.00 0.00 C ATOM 370 O VAL A 454 -6.406 -8.033 -3.687 1.00 0.00 O ATOM 371 CB VAL A 454 -6.231 -6.118 -1.345 1.00 0.00 C ATOM 372 CG1 VAL A 454 -4.808 -6.115 -1.893 1.00 0.00 C ATOM 373 CG2 VAL A 454 -6.474 -4.900 -0.476 1.00 0.00 C ATOM 0 HA VAL A 454 -7.549 -5.135 -2.728 1.00 0.00 H new ATOM 0 HB VAL A 454 -6.338 -7.021 -0.744 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -4.099 -6.084 -1.065 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -4.642 -7.019 -2.479 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -4.664 -5.240 -2.527 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -5.732 -4.869 0.322 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -6.392 -3.998 -1.083 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -7.472 -4.956 -0.042 1.00 0.00 H new ATOM 383 N THR A 455 -6.563 -6.075 -4.779 1.00 0.00 N ATOM 384 CA THR A 455 -6.042 -6.620 -6.018 1.00 0.00 C ATOM 385 C THR A 455 -4.947 -5.766 -6.619 1.00 0.00 C ATOM 386 O THR A 455 -4.692 -4.644 -6.186 1.00 0.00 O ATOM 387 CB THR A 455 -7.172 -6.784 -7.020 1.00 0.00 C ATOM 388 OG1 THR A 455 -7.896 -5.575 -7.162 1.00 0.00 O ATOM 389 CG2 THR A 455 -8.141 -7.860 -6.603 1.00 0.00 C ATOM 0 H THR A 455 -6.802 -5.084 -4.816 1.00 0.00 H new ATOM 0 HA THR A 455 -5.601 -7.588 -5.782 1.00 0.00 H new ATOM 0 HB THR A 455 -6.708 -7.064 -7.966 1.00 0.00 H new ATOM 0 HG1 THR A 455 -8.618 -5.701 -7.813 1.00 0.00 H new ATOM 0 HG21 THR A 455 -8.933 -7.944 -7.347 1.00 0.00 H new ATOM 0 HG22 THR A 455 -7.616 -8.812 -6.523 1.00 0.00 H new ATOM 0 HG23 THR A 455 -8.576 -7.603 -5.637 1.00 0.00 H new ATOM 397 N GLU A 456 -4.318 -6.325 -7.638 1.00 0.00 N ATOM 398 CA GLU A 456 -3.250 -5.665 -8.355 1.00 0.00 C ATOM 399 C GLU A 456 -3.786 -4.487 -9.155 1.00 0.00 C ATOM 400 O GLU A 456 -3.287 -3.367 -9.055 1.00 0.00 O ATOM 401 CB GLU A 456 -2.601 -6.669 -9.296 1.00 0.00 C ATOM 402 CG GLU A 456 -1.452 -7.444 -8.670 1.00 0.00 C ATOM 403 CD GLU A 456 -0.887 -8.494 -9.606 1.00 0.00 C ATOM 404 OE1 GLU A 456 -0.827 -8.231 -10.826 1.00 0.00 O ATOM 405 OE2 GLU A 456 -0.507 -9.580 -9.120 1.00 0.00 O ATOM 0 H GLU A 456 -4.538 -7.256 -7.991 1.00 0.00 H new ATOM 0 HA GLU A 456 -2.518 -5.288 -7.641 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -3.358 -7.374 -9.638 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -2.234 -6.142 -10.177 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -0.661 -6.750 -8.387 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -1.797 -7.925 -7.755 1.00 0.00 H new ATOM 412 N ASP A 457 -4.797 -4.771 -9.960 1.00 0.00 N ATOM 413 CA ASP A 457 -5.419 -3.761 -10.815 1.00 0.00 C ATOM 414 C ASP A 457 -6.047 -2.626 -10.009 1.00 0.00 C ATOM 415 O ASP A 457 -6.165 -1.501 -10.495 1.00 0.00 O ATOM 416 CB ASP A 457 -6.477 -4.409 -11.703 1.00 0.00 C ATOM 417 CG ASP A 457 -6.156 -4.278 -13.180 1.00 0.00 C ATOM 418 OD1 ASP A 457 -4.961 -4.148 -13.518 1.00 0.00 O ATOM 419 OD2 ASP A 457 -7.100 -4.305 -13.997 1.00 0.00 O ATOM 0 H ASP A 457 -5.211 -5.700 -10.043 1.00 0.00 H new ATOM 0 HA ASP A 457 -4.630 -3.329 -11.431 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -6.565 -5.465 -11.446 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -7.445 -3.950 -11.503 1.00 0.00 H new ATOM 424 N ALA A 458 -6.456 -2.927 -8.787 1.00 0.00 N ATOM 425 CA ALA A 458 -7.083 -1.932 -7.923 1.00 0.00 C ATOM 426 C ALA A 458 -6.082 -0.882 -7.466 1.00 0.00 C ATOM 427 O ALA A 458 -6.418 0.294 -7.339 1.00 0.00 O ATOM 428 CB ALA A 458 -7.726 -2.607 -6.719 1.00 0.00 C ATOM 0 H ALA A 458 -6.366 -3.853 -8.368 1.00 0.00 H new ATOM 0 HA ALA A 458 -7.856 -1.427 -8.503 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -8.190 -1.853 -6.083 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -8.485 -3.311 -7.059 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -6.964 -3.141 -6.151 1.00 0.00 H new ATOM 434 N VAL A 459 -4.853 -1.306 -7.213 1.00 0.00 N ATOM 435 CA VAL A 459 -3.824 -0.384 -6.769 1.00 0.00 C ATOM 436 C VAL A 459 -3.406 0.546 -7.896 1.00 0.00 C ATOM 437 O VAL A 459 -3.146 1.728 -7.674 1.00 0.00 O ATOM 438 CB VAL A 459 -2.594 -1.119 -6.219 1.00 0.00 C ATOM 439 CG1 VAL A 459 -1.658 -0.136 -5.538 1.00 0.00 C ATOM 440 CG2 VAL A 459 -3.018 -2.213 -5.253 1.00 0.00 C ATOM 0 H VAL A 459 -4.548 -2.275 -7.307 1.00 0.00 H new ATOM 0 HA VAL A 459 -4.255 0.206 -5.960 1.00 0.00 H new ATOM 0 HB VAL A 459 -2.063 -1.584 -7.050 1.00 0.00 H new ATOM 0 HG11 VAL A 459 -0.789 -0.669 -5.152 1.00 0.00 H new ATOM 0 HG12 VAL A 459 -1.333 0.615 -6.258 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -2.180 0.352 -4.715 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -2.134 -2.725 -4.872 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -3.568 -1.771 -4.422 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -3.656 -2.929 -5.771 1.00 0.00 H new ATOM 450 N ARG A 460 -3.365 0.008 -9.107 1.00 0.00 N ATOM 451 CA ARG A 460 -3.001 0.794 -10.284 1.00 0.00 C ATOM 452 C ARG A 460 -3.866 2.046 -10.361 1.00 0.00 C ATOM 453 O ARG A 460 -3.362 3.155 -10.523 1.00 0.00 O ATOM 454 CB ARG A 460 -3.184 -0.027 -11.567 1.00 0.00 C ATOM 455 CG ARG A 460 -2.659 -1.452 -11.476 1.00 0.00 C ATOM 456 CD ARG A 460 -1.193 -1.484 -11.073 1.00 0.00 C ATOM 457 NE ARG A 460 -0.339 -1.959 -12.159 1.00 0.00 N ATOM 458 CZ ARG A 460 -0.195 -3.243 -12.482 1.00 0.00 C ATOM 459 NH1 ARG A 460 -0.848 -4.181 -11.807 1.00 0.00 N ATOM 460 NH2 ARG A 460 0.602 -3.589 -13.483 1.00 0.00 N ATOM 0 H ARG A 460 -3.579 -0.970 -9.303 1.00 0.00 H new ATOM 0 HA ARG A 460 -1.952 1.076 -10.193 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -4.244 -0.058 -11.817 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -2.678 0.483 -12.387 1.00 0.00 H new ATOM 0 HG2 ARG A 460 -3.249 -2.012 -10.750 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -2.783 -1.948 -12.438 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -0.877 -0.485 -10.773 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -1.069 -2.131 -10.205 1.00 0.00 H new ATOM 0 HE ARG A 460 0.177 -1.267 -12.702 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -1.464 -3.920 -11.037 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -0.734 -5.163 -12.059 1.00 0.00 H new ATOM 0 HH21 ARG A 460 1.105 -2.872 -14.006 1.00 0.00 H new ATOM 0 HH22 ARG A 460 0.712 -4.572 -13.731 1.00 0.00 H new ATOM 474 N ARG A 461 -5.174 1.849 -10.233 1.00 0.00 N ATOM 475 CA ARG A 461 -6.126 2.950 -10.281 1.00 0.00 C ATOM 476 C ARG A 461 -5.874 3.943 -9.145 1.00 0.00 C ATOM 477 O ARG A 461 -6.222 5.119 -9.254 1.00 0.00 O ATOM 478 CB ARG A 461 -7.560 2.406 -10.251 1.00 0.00 C ATOM 479 CG ARG A 461 -7.996 1.916 -8.893 1.00 0.00 C ATOM 480 CD ARG A 461 -9.469 2.185 -8.647 1.00 0.00 C ATOM 481 NE ARG A 461 -9.685 3.070 -7.506 1.00 0.00 N ATOM 482 CZ ARG A 461 -10.830 3.143 -6.829 1.00 0.00 C ATOM 483 NH1 ARG A 461 -11.867 2.391 -7.180 1.00 0.00 N ATOM 484 NH2 ARG A 461 -10.939 3.973 -5.801 1.00 0.00 N ATOM 0 H ARG A 461 -5.599 0.932 -10.095 1.00 0.00 H new ATOM 0 HA ARG A 461 -5.989 3.493 -11.216 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -8.243 3.189 -10.581 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -7.643 1.588 -10.966 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -7.803 0.846 -8.813 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -7.402 2.406 -8.121 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -9.909 2.631 -9.539 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -9.985 1.241 -8.475 1.00 0.00 H new ATOM 0 HE ARG A 461 -8.913 3.668 -7.210 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -11.789 1.753 -7.972 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -12.741 2.452 -6.658 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -10.147 4.555 -5.529 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -11.815 4.030 -5.282 1.00 0.00 H new ATOM 498 N TYR A 462 -5.242 3.476 -8.067 1.00 0.00 N ATOM 499 CA TYR A 462 -4.923 4.350 -6.939 1.00 0.00 C ATOM 500 C TYR A 462 -3.746 5.245 -7.303 1.00 0.00 C ATOM 501 O TYR A 462 -3.735 6.439 -7.002 1.00 0.00 O ATOM 502 CB TYR A 462 -4.568 3.539 -5.683 1.00 0.00 C ATOM 503 CG TYR A 462 -5.617 2.532 -5.263 1.00 0.00 C ATOM 504 CD1 TYR A 462 -6.894 2.557 -5.805 1.00 0.00 C ATOM 505 CD2 TYR A 462 -5.322 1.550 -4.321 1.00 0.00 C ATOM 506 CE1 TYR A 462 -7.849 1.634 -5.428 1.00 0.00 C ATOM 507 CE2 TYR A 462 -6.273 0.622 -3.942 1.00 0.00 C ATOM 508 CZ TYR A 462 -7.534 0.668 -4.498 1.00 0.00 C ATOM 509 OH TYR A 462 -8.483 -0.256 -4.123 1.00 0.00 O ATOM 0 H TYR A 462 -4.944 2.507 -7.952 1.00 0.00 H new ATOM 0 HA TYR A 462 -5.805 4.953 -6.722 1.00 0.00 H new ATOM 0 HB2 TYR A 462 -3.630 3.013 -5.860 1.00 0.00 H new ATOM 0 HB3 TYR A 462 -4.396 4.230 -4.858 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -7.145 3.312 -6.535 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -4.337 1.513 -3.881 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -8.838 1.669 -5.860 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -6.030 -0.137 -3.213 1.00 0.00 H new ATOM 0 HH TYR A 462 -8.145 -0.786 -3.371 1.00 0.00 H new ATOM 519 N LEU A 463 -2.752 4.645 -7.950 1.00 0.00 N ATOM 520 CA LEU A 463 -1.553 5.349 -8.364 1.00 0.00 C ATOM 521 C LEU A 463 -1.846 6.336 -9.484 1.00 0.00 C ATOM 522 O LEU A 463 -1.586 7.532 -9.350 1.00 0.00 O ATOM 523 CB LEU A 463 -0.507 4.340 -8.824 1.00 0.00 C ATOM 524 CG LEU A 463 -0.468 3.023 -8.040 1.00 0.00 C ATOM 525 CD1 LEU A 463 0.868 2.325 -8.239 1.00 0.00 C ATOM 526 CD2 LEU A 463 -0.732 3.263 -6.558 1.00 0.00 C ATOM 0 H LEU A 463 -2.759 3.656 -8.200 1.00 0.00 H new ATOM 0 HA LEU A 463 -1.176 5.914 -7.511 1.00 0.00 H new ATOM 0 HB2 LEU A 463 -0.686 4.112 -9.875 1.00 0.00 H new ATOM 0 HB3 LEU A 463 0.475 4.808 -8.762 1.00 0.00 H new ATOM 0 HG LEU A 463 -1.257 2.376 -8.423 1.00 0.00 H new ATOM 0 HD11 LEU A 463 0.879 1.392 -7.676 1.00 0.00 H new ATOM 0 HD12 LEU A 463 1.013 2.111 -9.298 1.00 0.00 H new ATOM 0 HD13 LEU A 463 1.672 2.971 -7.886 1.00 0.00 H new ATOM 0 HD21 LEU A 463 -0.699 2.313 -6.024 1.00 0.00 H new ATOM 0 HD22 LEU A 463 0.029 3.932 -6.156 1.00 0.00 H new ATOM 0 HD23 LEU A 463 -1.715 3.716 -6.432 1.00 0.00 H new ATOM 538 N THR A 464 -2.389 5.833 -10.592 1.00 0.00 N ATOM 539 CA THR A 464 -2.717 6.681 -11.729 1.00 0.00 C ATOM 540 C THR A 464 -3.486 7.911 -11.268 1.00 0.00 C ATOM 541 O THR A 464 -3.427 8.969 -11.894 1.00 0.00 O ATOM 542 CB THR A 464 -3.532 5.902 -12.762 1.00 0.00 C ATOM 543 OG1 THR A 464 -4.106 4.741 -12.186 1.00 0.00 O ATOM 544 CG2 THR A 464 -2.718 5.470 -13.964 1.00 0.00 C ATOM 0 H THR A 464 -2.609 4.846 -10.723 1.00 0.00 H new ATOM 0 HA THR A 464 -1.787 7.006 -12.196 1.00 0.00 H new ATOM 0 HB THR A 464 -4.305 6.593 -13.097 1.00 0.00 H new ATOM 0 HG1 THR A 464 -3.401 4.089 -11.993 1.00 0.00 H new ATOM 0 HG21 THR A 464 -3.356 4.922 -14.658 1.00 0.00 H new ATOM 0 HG22 THR A 464 -2.311 6.349 -14.463 1.00 0.00 H new ATOM 0 HG23 THR A 464 -1.901 4.827 -13.638 1.00 0.00 H new ATOM 552 N ARG A 465 -4.196 7.760 -10.159 1.00 0.00 N ATOM 553 CA ARG A 465 -4.968 8.848 -9.595 1.00 0.00 C ATOM 554 C ARG A 465 -4.083 9.737 -8.724 1.00 0.00 C ATOM 555 O ARG A 465 -4.001 10.942 -8.944 1.00 0.00 O ATOM 556 CB ARG A 465 -6.138 8.304 -8.774 1.00 0.00 C ATOM 557 CG ARG A 465 -7.403 8.089 -9.588 1.00 0.00 C ATOM 558 CD ARG A 465 -8.544 7.581 -8.720 1.00 0.00 C ATOM 559 NE ARG A 465 -9.832 8.137 -9.129 1.00 0.00 N ATOM 560 CZ ARG A 465 -10.926 8.106 -8.372 1.00 0.00 C ATOM 561 NH1 ARG A 465 -10.894 7.548 -7.168 1.00 0.00 N ATOM 562 NH2 ARG A 465 -12.057 8.634 -8.821 1.00 0.00 N ATOM 0 H ARG A 465 -4.251 6.888 -9.633 1.00 0.00 H new ATOM 0 HA ARG A 465 -5.365 9.447 -10.415 1.00 0.00 H new ATOM 0 HB2 ARG A 465 -5.843 7.358 -8.319 1.00 0.00 H new ATOM 0 HB3 ARG A 465 -6.353 8.996 -7.960 1.00 0.00 H new ATOM 0 HG2 ARG A 465 -7.695 9.026 -10.063 1.00 0.00 H new ATOM 0 HG3 ARG A 465 -7.206 7.374 -10.387 1.00 0.00 H new ATOM 0 HD2 ARG A 465 -8.585 6.493 -8.775 1.00 0.00 H new ATOM 0 HD3 ARG A 465 -8.351 7.841 -7.679 1.00 0.00 H new ATOM 0 HE ARG A 465 -9.896 8.574 -10.048 1.00 0.00 H new ATOM 0 HH11 ARG A 465 -10.027 7.140 -6.818 1.00 0.00 H new ATOM 0 HH12 ARG A 465 -11.736 7.528 -6.593 1.00 0.00 H new ATOM 0 HH21 ARG A 465 -12.088 9.063 -9.746 1.00 0.00 H new ATOM 0 HH22 ARG A 465 -12.896 8.611 -8.242 1.00 0.00 H new ATOM 576 N LYS A 466 -3.425 9.125 -7.736 1.00 0.00 N ATOM 577 CA LYS A 466 -2.544 9.839 -6.821 1.00 0.00 C ATOM 578 C LYS A 466 -1.633 8.859 -6.072 1.00 0.00 C ATOM 579 O LYS A 466 -2.034 7.734 -5.777 1.00 0.00 O ATOM 580 CB LYS A 466 -3.375 10.643 -5.825 1.00 0.00 C ATOM 581 CG LYS A 466 -2.938 12.090 -5.657 1.00 0.00 C ATOM 582 CD LYS A 466 -2.715 12.792 -6.990 1.00 0.00 C ATOM 583 CE LYS A 466 -1.237 13.002 -7.282 1.00 0.00 C ATOM 584 NZ LYS A 466 -1.010 14.140 -8.216 1.00 0.00 N ATOM 0 H LYS A 466 -3.490 8.124 -7.552 1.00 0.00 H new ATOM 0 HA LYS A 466 -1.918 10.518 -7.400 1.00 0.00 H new ATOM 0 HB2 LYS A 466 -4.417 10.627 -6.145 1.00 0.00 H new ATOM 0 HB3 LYS A 466 -3.332 10.149 -4.854 1.00 0.00 H new ATOM 0 HG2 LYS A 466 -3.694 12.630 -5.088 1.00 0.00 H new ATOM 0 HG3 LYS A 466 -2.017 12.122 -5.075 1.00 0.00 H new ATOM 0 HD2 LYS A 466 -3.163 12.202 -7.790 1.00 0.00 H new ATOM 0 HD3 LYS A 466 -3.224 13.756 -6.982 1.00 0.00 H new ATOM 0 HE2 LYS A 466 -0.706 13.187 -6.349 1.00 0.00 H new ATOM 0 HE3 LYS A 466 -0.819 12.091 -7.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 0.010 14.249 -8.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 -1.496 13.952 -9.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 -1.385 15.014 -7.796 1.00 0.00 H new ATOM 598 N PRO A 467 -0.388 9.270 -5.759 1.00 0.00 N ATOM 599 CA PRO A 467 0.574 8.415 -5.052 1.00 0.00 C ATOM 600 C PRO A 467 0.177 8.134 -3.608 1.00 0.00 C ATOM 601 O PRO A 467 -0.655 8.834 -3.029 1.00 0.00 O ATOM 602 CB PRO A 467 1.879 9.210 -5.117 1.00 0.00 C ATOM 603 CG PRO A 467 1.453 10.624 -5.283 1.00 0.00 C ATOM 604 CD PRO A 467 0.181 10.588 -6.078 1.00 0.00 C ATOM 0 HA PRO A 467 0.641 7.427 -5.508 1.00 0.00 H new ATOM 0 HB2 PRO A 467 2.468 9.078 -4.210 1.00 0.00 H new ATOM 0 HB3 PRO A 467 2.500 8.883 -5.951 1.00 0.00 H new ATOM 0 HG2 PRO A 467 1.293 11.099 -4.315 1.00 0.00 H new ATOM 0 HG3 PRO A 467 2.219 11.203 -5.800 1.00 0.00 H new ATOM 0 HD2 PRO A 467 -0.493 11.396 -5.793 1.00 0.00 H new ATOM 0 HD3 PRO A 467 0.372 10.695 -7.146 1.00 0.00 H new ATOM 612 N MET A 468 0.773 7.088 -3.040 1.00 0.00 N ATOM 613 CA MET A 468 0.483 6.685 -1.669 1.00 0.00 C ATOM 614 C MET A 468 1.598 5.823 -1.091 1.00 0.00 C ATOM 615 O MET A 468 2.436 5.294 -1.821 1.00 0.00 O ATOM 616 CB MET A 468 -0.825 5.881 -1.616 1.00 0.00 C ATOM 617 CG MET A 468 -0.668 4.429 -2.052 1.00 0.00 C ATOM 618 SD MET A 468 0.062 4.269 -3.694 1.00 0.00 S ATOM 619 CE MET A 468 1.282 2.984 -3.415 1.00 0.00 C ATOM 0 H MET A 468 1.462 6.503 -3.512 1.00 0.00 H new ATOM 0 HA MET A 468 0.394 7.597 -1.079 1.00 0.00 H new ATOM 0 HB2 MET A 468 -1.216 5.906 -0.599 1.00 0.00 H new ATOM 0 HB3 MET A 468 -1.565 6.365 -2.253 1.00 0.00 H new ATOM 0 HG2 MET A 468 -0.045 3.902 -1.329 1.00 0.00 H new ATOM 0 HG3 MET A 468 -1.644 3.944 -2.044 1.00 0.00 H new ATOM 0 HE1 MET A 468 2.189 3.216 -3.973 1.00 0.00 H new ATOM 0 HE2 MET A 468 1.515 2.928 -2.352 1.00 0.00 H new ATOM 0 HE3 MET A 468 0.885 2.026 -3.750 1.00 0.00 H new ATOM 629 N THR A 469 1.556 5.643 0.221 1.00 0.00 N ATOM 630 CA THR A 469 2.512 4.793 0.908 1.00 0.00 C ATOM 631 C THR A 469 1.844 3.441 1.135 1.00 0.00 C ATOM 632 O THR A 469 0.680 3.272 0.776 1.00 0.00 O ATOM 633 CB THR A 469 2.928 5.410 2.245 1.00 0.00 C ATOM 634 OG1 THR A 469 1.830 5.461 3.137 1.00 0.00 O ATOM 635 CG2 THR A 469 3.473 6.813 2.107 1.00 0.00 C ATOM 0 H THR A 469 0.865 6.078 0.832 1.00 0.00 H new ATOM 0 HA THR A 469 3.414 4.681 0.307 1.00 0.00 H new ATOM 0 HB THR A 469 3.718 4.765 2.630 1.00 0.00 H new ATOM 0 HG1 THR A 469 1.951 6.206 3.762 1.00 0.00 H new ATOM 0 HG21 THR A 469 3.750 7.194 3.090 1.00 0.00 H new ATOM 0 HG22 THR A 469 4.352 6.800 1.462 1.00 0.00 H new ATOM 0 HG23 THR A 469 2.711 7.458 1.669 1.00 0.00 H new ATOM 643 N THR A 470 2.541 2.482 1.726 1.00 0.00 N ATOM 644 CA THR A 470 1.926 1.181 1.962 1.00 0.00 C ATOM 645 C THR A 470 0.878 1.276 3.055 1.00 0.00 C ATOM 646 O THR A 470 -0.199 0.691 2.949 1.00 0.00 O ATOM 647 CB THR A 470 2.963 0.115 2.305 1.00 0.00 C ATOM 648 OG1 THR A 470 4.270 0.566 2.004 1.00 0.00 O ATOM 649 CG2 THR A 470 2.734 -1.178 1.553 1.00 0.00 C ATOM 0 H THR A 470 3.506 2.572 2.044 1.00 0.00 H new ATOM 0 HA THR A 470 1.440 0.878 1.035 1.00 0.00 H new ATOM 0 HB THR A 470 2.857 -0.071 3.374 1.00 0.00 H new ATOM 0 HG1 THR A 470 4.807 0.584 2.824 1.00 0.00 H new ATOM 0 HG21 THR A 470 3.499 -1.902 1.833 1.00 0.00 H new ATOM 0 HG22 THR A 470 1.750 -1.575 1.802 1.00 0.00 H new ATOM 0 HG23 THR A 470 2.788 -0.990 0.481 1.00 0.00 H new ATOM 657 N LYS A 471 1.190 2.031 4.091 1.00 0.00 N ATOM 658 CA LYS A 471 0.259 2.219 5.195 1.00 0.00 C ATOM 659 C LYS A 471 -0.978 2.947 4.707 1.00 0.00 C ATOM 660 O LYS A 471 -2.104 2.503 4.918 1.00 0.00 O ATOM 661 CB LYS A 471 0.887 3.001 6.361 1.00 0.00 C ATOM 662 CG LYS A 471 1.802 4.156 5.971 1.00 0.00 C ATOM 663 CD LYS A 471 3.171 3.672 5.531 1.00 0.00 C ATOM 664 CE LYS A 471 4.286 4.357 6.304 1.00 0.00 C ATOM 665 NZ LYS A 471 4.822 5.540 5.575 1.00 0.00 N ATOM 0 H LYS A 471 2.077 2.524 4.194 1.00 0.00 H new ATOM 0 HA LYS A 471 -0.008 1.229 5.566 1.00 0.00 H new ATOM 0 HB2 LYS A 471 0.084 3.394 6.984 1.00 0.00 H new ATOM 0 HB3 LYS A 471 1.456 2.304 6.976 1.00 0.00 H new ATOM 0 HG2 LYS A 471 1.342 4.726 5.164 1.00 0.00 H new ATOM 0 HG3 LYS A 471 1.912 4.834 6.818 1.00 0.00 H new ATOM 0 HD2 LYS A 471 3.239 2.594 5.674 1.00 0.00 H new ATOM 0 HD3 LYS A 471 3.298 3.861 4.465 1.00 0.00 H new ATOM 0 HE2 LYS A 471 3.913 4.670 7.279 1.00 0.00 H new ATOM 0 HE3 LYS A 471 5.092 3.646 6.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 5.580 5.979 6.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 5.202 5.238 4.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 4.059 6.230 5.425 1.00 0.00 H new ATOM 679 N ASP A 472 -0.747 4.071 4.053 1.00 0.00 N ATOM 680 CA ASP A 472 -1.832 4.890 3.522 1.00 0.00 C ATOM 681 C ASP A 472 -2.680 4.116 2.513 1.00 0.00 C ATOM 682 O ASP A 472 -3.851 4.437 2.304 1.00 0.00 O ATOM 683 CB ASP A 472 -1.270 6.152 2.866 1.00 0.00 C ATOM 684 CG ASP A 472 -2.361 7.118 2.445 1.00 0.00 C ATOM 685 OD1 ASP A 472 -3.480 7.026 2.994 1.00 0.00 O ATOM 686 OD2 ASP A 472 -2.097 7.966 1.568 1.00 0.00 O ATOM 0 H ASP A 472 0.186 4.443 3.874 1.00 0.00 H new ATOM 0 HA ASP A 472 -2.473 5.169 4.358 1.00 0.00 H new ATOM 0 HB2 ASP A 472 -0.595 6.651 3.562 1.00 0.00 H new ATOM 0 HB3 ASP A 472 -0.679 5.873 1.994 1.00 0.00 H new ATOM 691 N LEU A 473 -2.091 3.102 1.883 1.00 0.00 N ATOM 692 CA LEU A 473 -2.811 2.304 0.893 1.00 0.00 C ATOM 693 C LEU A 473 -3.590 1.172 1.545 1.00 0.00 C ATOM 694 O LEU A 473 -4.749 0.926 1.212 1.00 0.00 O ATOM 695 CB LEU A 473 -1.849 1.744 -0.146 1.00 0.00 C ATOM 696 CG LEU A 473 -2.421 1.634 -1.556 1.00 0.00 C ATOM 697 CD1 LEU A 473 -1.336 1.204 -2.529 1.00 0.00 C ATOM 698 CD2 LEU A 473 -3.590 0.660 -1.576 1.00 0.00 C ATOM 0 H LEU A 473 -1.125 2.815 2.038 1.00 0.00 H new ATOM 0 HA LEU A 473 -3.525 2.964 0.399 1.00 0.00 H new ATOM 0 HB2 LEU A 473 -0.962 2.377 -0.178 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -1.524 0.755 0.177 1.00 0.00 H new ATOM 0 HG LEU A 473 -2.790 2.612 -1.867 1.00 0.00 H new ATOM 0 HD11 LEU A 473 -1.756 1.129 -3.532 1.00 0.00 H new ATOM 0 HD12 LEU A 473 -0.532 1.940 -2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 473 -0.941 0.234 -2.228 1.00 0.00 H new ATOM 0 HD21 LEU A 473 -3.989 0.591 -2.588 1.00 0.00 H new ATOM 0 HD22 LEU A 473 -3.250 -0.324 -1.252 1.00 0.00 H new ATOM 0 HD23 LEU A 473 -4.370 1.014 -0.902 1.00 0.00 H new ATOM 710 N LEU A 474 -2.941 0.477 2.462 1.00 0.00 N ATOM 711 CA LEU A 474 -3.564 -0.647 3.154 1.00 0.00 C ATOM 712 C LEU A 474 -4.554 -0.187 4.220 1.00 0.00 C ATOM 713 O LEU A 474 -5.649 -0.736 4.332 1.00 0.00 O ATOM 714 CB LEU A 474 -2.509 -1.554 3.781 1.00 0.00 C ATOM 715 CG LEU A 474 -1.614 -0.860 4.791 1.00 0.00 C ATOM 716 CD1 LEU A 474 -2.155 -1.041 6.201 1.00 0.00 C ATOM 717 CD2 LEU A 474 -0.184 -1.376 4.690 1.00 0.00 C ATOM 0 H LEU A 474 -1.981 0.668 2.748 1.00 0.00 H new ATOM 0 HA LEU A 474 -4.118 -1.211 2.404 1.00 0.00 H new ATOM 0 HB2 LEU A 474 -3.009 -2.391 4.269 1.00 0.00 H new ATOM 0 HB3 LEU A 474 -1.888 -1.972 2.989 1.00 0.00 H new ATOM 0 HG LEU A 474 -1.606 0.206 4.564 1.00 0.00 H new ATOM 0 HD11 LEU A 474 -1.499 -0.536 6.910 1.00 0.00 H new ATOM 0 HD12 LEU A 474 -3.156 -0.613 6.264 1.00 0.00 H new ATOM 0 HD13 LEU A 474 -2.199 -2.103 6.440 1.00 0.00 H new ATOM 0 HD21 LEU A 474 0.440 -0.865 5.423 1.00 0.00 H new ATOM 0 HD22 LEU A 474 -0.169 -2.448 4.886 1.00 0.00 H new ATOM 0 HD23 LEU A 474 0.202 -1.185 3.689 1.00 0.00 H new ATOM 729 N LYS A 475 -4.170 0.815 5.006 1.00 0.00 N ATOM 730 CA LYS A 475 -5.041 1.325 6.061 1.00 0.00 C ATOM 731 C LYS A 475 -6.423 1.675 5.515 1.00 0.00 C ATOM 732 O LYS A 475 -7.404 1.700 6.258 1.00 0.00 O ATOM 733 CB LYS A 475 -4.425 2.558 6.727 1.00 0.00 C ATOM 734 CG LYS A 475 -3.566 2.227 7.938 1.00 0.00 C ATOM 735 CD LYS A 475 -2.101 2.540 7.688 1.00 0.00 C ATOM 736 CE LYS A 475 -1.387 2.924 8.973 1.00 0.00 C ATOM 737 NZ LYS A 475 -1.715 4.313 9.397 1.00 0.00 N ATOM 0 H LYS A 475 -3.269 1.287 4.934 1.00 0.00 H new ATOM 0 HA LYS A 475 -5.149 0.535 6.804 1.00 0.00 H new ATOM 0 HB2 LYS A 475 -3.818 3.091 5.995 1.00 0.00 H new ATOM 0 HB3 LYS A 475 -5.224 3.234 7.032 1.00 0.00 H new ATOM 0 HG2 LYS A 475 -3.918 2.794 8.800 1.00 0.00 H new ATOM 0 HG3 LYS A 475 -3.676 1.171 8.185 1.00 0.00 H new ATOM 0 HD2 LYS A 475 -1.613 1.672 7.245 1.00 0.00 H new ATOM 0 HD3 LYS A 475 -2.019 3.354 6.968 1.00 0.00 H new ATOM 0 HE2 LYS A 475 -1.665 2.228 9.764 1.00 0.00 H new ATOM 0 HE3 LYS A 475 -0.310 2.833 8.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 -1.144 4.566 10.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 -1.506 4.972 8.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 -2.725 4.373 9.639 1.00 0.00 H new ATOM 751 N LYS A 476 -6.493 1.956 4.217 1.00 0.00 N ATOM 752 CA LYS A 476 -7.753 2.315 3.589 1.00 0.00 C ATOM 753 C LYS A 476 -8.632 1.086 3.352 1.00 0.00 C ATOM 754 O LYS A 476 -9.834 1.116 3.616 1.00 0.00 O ATOM 755 CB LYS A 476 -7.482 3.051 2.267 1.00 0.00 C ATOM 756 CG LYS A 476 -8.120 2.399 1.049 1.00 0.00 C ATOM 757 CD LYS A 476 -7.165 2.308 -0.117 1.00 0.00 C ATOM 758 CE LYS A 476 -7.362 0.991 -0.825 1.00 0.00 C ATOM 759 NZ LYS A 476 -8.454 1.063 -1.833 1.00 0.00 N ATOM 0 H LYS A 476 -5.693 1.941 3.584 1.00 0.00 H new ATOM 0 HA LYS A 476 -8.296 2.977 4.264 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -7.849 4.074 2.352 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -6.405 3.110 2.111 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -8.464 1.399 1.313 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -8.999 2.971 0.752 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -7.337 3.134 -0.807 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -6.137 2.395 0.234 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -6.433 0.700 -1.316 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -7.593 0.216 -0.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 -9.219 0.412 -1.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -8.825 2.034 -1.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -8.083 0.794 -2.767 1.00 0.00 H new ATOM 773 N PHE A 477 -8.031 0.008 2.851 1.00 0.00 N ATOM 774 CA PHE A 477 -8.769 -1.214 2.581 1.00 0.00 C ATOM 775 C PHE A 477 -9.374 -1.740 3.864 1.00 0.00 C ATOM 776 O PHE A 477 -10.561 -2.059 3.934 1.00 0.00 O ATOM 777 CB PHE A 477 -7.835 -2.261 1.980 1.00 0.00 C ATOM 778 CG PHE A 477 -7.763 -2.223 0.482 1.00 0.00 C ATOM 779 CD1 PHE A 477 -8.885 -2.482 -0.289 1.00 0.00 C ATOM 780 CD2 PHE A 477 -6.570 -1.930 -0.156 1.00 0.00 C ATOM 781 CE1 PHE A 477 -8.816 -2.449 -1.668 1.00 0.00 C ATOM 782 CE2 PHE A 477 -6.495 -1.895 -1.533 1.00 0.00 C ATOM 783 CZ PHE A 477 -7.620 -2.155 -2.291 1.00 0.00 C ATOM 0 H PHE A 477 -7.037 -0.039 2.626 1.00 0.00 H new ATOM 0 HA PHE A 477 -9.568 -1.000 1.871 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -6.834 -2.116 2.386 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -8.166 -3.251 2.293 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -9.823 -2.712 0.194 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -5.687 -1.726 0.432 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -9.697 -2.653 -2.258 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -5.558 -1.665 -2.018 1.00 0.00 H new ATOM 0 HZ PHE A 477 -7.564 -2.128 -3.369 1.00 0.00 H new ATOM 889 N LEU A 484 -10.241 -8.715 5.852 1.00 0.00 N ATOM 890 CA LEU A 484 -8.843 -8.999 6.100 1.00 0.00 C ATOM 891 C LEU A 484 -8.306 -8.152 7.246 1.00 0.00 C ATOM 892 O LEU A 484 -8.359 -6.923 7.204 1.00 0.00 O ATOM 893 CB LEU A 484 -8.024 -8.755 4.833 1.00 0.00 C ATOM 894 CG LEU A 484 -7.688 -10.013 4.032 1.00 0.00 C ATOM 895 CD1 LEU A 484 -8.936 -10.564 3.359 1.00 0.00 C ATOM 896 CD2 LEU A 484 -6.610 -9.716 3.003 1.00 0.00 C ATOM 0 HA LEU A 484 -8.755 -10.047 6.385 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -8.573 -8.068 4.189 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -7.094 -8.258 5.109 1.00 0.00 H new ATOM 0 HG LEU A 484 -7.307 -10.769 4.718 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -8.679 -11.459 2.793 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -9.678 -10.815 4.117 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -9.347 -9.813 2.684 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -6.383 -10.622 2.442 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -6.963 -8.944 2.319 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -5.710 -9.368 3.509 1.00 0.00 H new ATOM 908 N SER A 485 -7.784 -8.825 8.266 1.00 0.00 N ATOM 909 CA SER A 485 -7.223 -8.154 9.438 1.00 0.00 C ATOM 910 C SER A 485 -6.378 -6.947 9.046 1.00 0.00 C ATOM 911 O SER A 485 -5.886 -6.861 7.923 1.00 0.00 O ATOM 912 CB SER A 485 -6.361 -9.127 10.231 1.00 0.00 C ATOM 913 OG SER A 485 -6.687 -9.096 11.610 1.00 0.00 O ATOM 0 H SER A 485 -7.737 -9.843 8.306 1.00 0.00 H new ATOM 0 HA SER A 485 -8.058 -7.807 10.047 1.00 0.00 H new ATOM 0 HB2 SER A 485 -6.499 -10.137 9.845 1.00 0.00 H new ATOM 0 HB3 SER A 485 -5.309 -8.876 10.098 1.00 0.00 H new ATOM 0 HG SER A 485 -6.120 -9.731 12.095 1.00 0.00 H new ATOM 919 N SER A 486 -6.194 -6.027 9.988 1.00 0.00 N ATOM 920 CA SER A 486 -5.385 -4.842 9.740 1.00 0.00 C ATOM 921 C SER A 486 -3.956 -5.246 9.398 1.00 0.00 C ATOM 922 O SER A 486 -3.246 -4.534 8.687 1.00 0.00 O ATOM 923 CB SER A 486 -5.394 -3.920 10.961 1.00 0.00 C ATOM 924 OG SER A 486 -6.607 -3.191 11.043 1.00 0.00 O ATOM 0 H SER A 486 -6.593 -6.080 10.925 1.00 0.00 H new ATOM 0 HA SER A 486 -5.812 -4.301 8.895 1.00 0.00 H new ATOM 0 HB2 SER A 486 -5.259 -4.511 11.867 1.00 0.00 H new ATOM 0 HB3 SER A 486 -4.554 -3.228 10.904 1.00 0.00 H new ATOM 0 HG SER A 486 -6.587 -2.611 11.833 1.00 0.00 H new ATOM 930 N GLU A 487 -3.551 -6.404 9.906 1.00 0.00 N ATOM 931 CA GLU A 487 -2.221 -6.932 9.661 1.00 0.00 C ATOM 932 C GLU A 487 -2.200 -7.739 8.374 1.00 0.00 C ATOM 933 O GLU A 487 -1.315 -7.578 7.534 1.00 0.00 O ATOM 934 CB GLU A 487 -1.765 -7.803 10.834 1.00 0.00 C ATOM 935 CG GLU A 487 -2.182 -7.264 12.194 1.00 0.00 C ATOM 936 CD GLU A 487 -1.258 -7.715 13.308 1.00 0.00 C ATOM 937 OE1 GLU A 487 -0.103 -7.240 13.351 1.00 0.00 O ATOM 938 OE2 GLU A 487 -1.689 -8.543 14.138 1.00 0.00 O ATOM 0 H GLU A 487 -4.134 -6.998 10.496 1.00 0.00 H new ATOM 0 HA GLU A 487 -1.533 -6.093 9.561 1.00 0.00 H new ATOM 0 HB2 GLU A 487 -2.173 -8.806 10.710 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -0.679 -7.894 10.807 1.00 0.00 H new ATOM 0 HG2 GLU A 487 -2.199 -6.175 12.159 1.00 0.00 H new ATOM 0 HG3 GLU A 487 -3.198 -7.592 12.415 1.00 0.00 H new ATOM 945 N GLN A 488 -3.192 -8.602 8.227 1.00 0.00 N ATOM 946 CA GLN A 488 -3.312 -9.435 7.041 1.00 0.00 C ATOM 947 C GLN A 488 -3.522 -8.564 5.813 1.00 0.00 C ATOM 948 O GLN A 488 -2.942 -8.815 4.757 1.00 0.00 O ATOM 949 CB GLN A 488 -4.463 -10.433 7.189 1.00 0.00 C ATOM 950 CG GLN A 488 -3.997 -11.849 7.481 1.00 0.00 C ATOM 951 CD GLN A 488 -5.138 -12.769 7.869 1.00 0.00 C ATOM 952 OE1 GLN A 488 -5.105 -13.410 8.920 1.00 0.00 O ATOM 953 NE2 GLN A 488 -6.158 -12.838 7.021 1.00 0.00 N ATOM 0 H GLN A 488 -3.929 -8.744 8.918 1.00 0.00 H new ATOM 0 HA GLN A 488 -2.388 -10.000 6.922 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -5.121 -10.102 7.992 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -5.054 -10.434 6.273 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -3.494 -12.251 6.601 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -3.263 -11.827 8.286 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -6.144 -12.290 6.161 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -6.955 -13.439 7.230 1.00 0.00 H new ATOM 962 N THR A 489 -4.336 -7.517 5.963 1.00 0.00 N ATOM 963 CA THR A 489 -4.590 -6.594 4.863 1.00 0.00 C ATOM 964 C THR A 489 -3.265 -6.134 4.268 1.00 0.00 C ATOM 965 O THR A 489 -3.177 -5.814 3.085 1.00 0.00 O ATOM 966 CB THR A 489 -5.396 -5.385 5.338 1.00 0.00 C ATOM 967 OG1 THR A 489 -6.650 -5.789 5.856 1.00 0.00 O ATOM 968 CG2 THR A 489 -5.659 -4.378 4.239 1.00 0.00 C ATOM 0 H THR A 489 -4.825 -7.291 6.829 1.00 0.00 H new ATOM 0 HA THR A 489 -5.173 -7.113 4.102 1.00 0.00 H new ATOM 0 HB THR A 489 -4.785 -4.913 6.108 1.00 0.00 H new ATOM 0 HG1 THR A 489 -6.512 -6.435 6.580 1.00 0.00 H new ATOM 0 HG21 THR A 489 -6.235 -3.544 4.640 1.00 0.00 H new ATOM 0 HG22 THR A 489 -4.710 -4.009 3.849 1.00 0.00 H new ATOM 0 HG23 THR A 489 -6.221 -4.854 3.436 1.00 0.00 H new ATOM 976 N VAL A 490 -2.232 -6.125 5.107 1.00 0.00 N ATOM 977 CA VAL A 490 -0.895 -5.727 4.678 1.00 0.00 C ATOM 978 C VAL A 490 -0.194 -6.895 3.999 1.00 0.00 C ATOM 979 O VAL A 490 0.431 -6.741 2.950 1.00 0.00 O ATOM 980 CB VAL A 490 -0.039 -5.264 5.871 1.00 0.00 C ATOM 981 CG1 VAL A 490 1.193 -4.514 5.390 1.00 0.00 C ATOM 982 CG2 VAL A 490 -0.860 -4.402 6.815 1.00 0.00 C ATOM 0 H VAL A 490 -2.296 -6.390 6.090 1.00 0.00 H new ATOM 0 HA VAL A 490 -1.008 -4.898 3.980 1.00 0.00 H new ATOM 0 HB VAL A 490 0.293 -6.147 6.417 1.00 0.00 H new ATOM 0 HG11 VAL A 490 1.784 -4.196 6.249 1.00 0.00 H new ATOM 0 HG12 VAL A 490 1.794 -5.169 4.759 1.00 0.00 H new ATOM 0 HG13 VAL A 490 0.886 -3.639 4.817 1.00 0.00 H new ATOM 0 HG21 VAL A 490 -0.238 -4.084 7.652 1.00 0.00 H new ATOM 0 HG22 VAL A 490 -1.226 -3.525 6.281 1.00 0.00 H new ATOM 0 HG23 VAL A 490 -1.706 -4.978 7.190 1.00 0.00 H new ATOM 992 N ASN A 491 -0.318 -8.066 4.612 1.00 0.00 N ATOM 993 CA ASN A 491 0.283 -9.285 4.090 1.00 0.00 C ATOM 994 C ASN A 491 -0.188 -9.552 2.660 1.00 0.00 C ATOM 995 O ASN A 491 0.501 -10.211 1.880 1.00 0.00 O ATOM 996 CB ASN A 491 -0.075 -10.460 5.009 1.00 0.00 C ATOM 997 CG ASN A 491 0.028 -11.812 4.326 1.00 0.00 C ATOM 998 OD1 ASN A 491 1.094 -12.206 3.856 1.00 0.00 O ATOM 999 ND2 ASN A 491 -1.091 -12.527 4.271 1.00 0.00 N ATOM 0 H ASN A 491 -0.836 -8.196 5.481 1.00 0.00 H new ATOM 0 HA ASN A 491 1.366 -9.168 4.065 1.00 0.00 H new ATOM 0 HB2 ASN A 491 0.585 -10.448 5.876 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -1.091 -10.325 5.380 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -1.089 -13.444 3.825 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -1.952 -12.159 4.675 1.00 0.00 H new ATOM 1006 N VAL A 492 -1.368 -9.040 2.328 1.00 0.00 N ATOM 1007 CA VAL A 492 -1.942 -9.222 1.000 1.00 0.00 C ATOM 1008 C VAL A 492 -1.737 -7.986 0.126 1.00 0.00 C ATOM 1009 O VAL A 492 -1.924 -8.041 -1.086 1.00 0.00 O ATOM 1010 CB VAL A 492 -3.450 -9.527 1.095 1.00 0.00 C ATOM 1011 CG1 VAL A 492 -4.161 -8.429 1.870 1.00 0.00 C ATOM 1012 CG2 VAL A 492 -4.063 -9.689 -0.289 1.00 0.00 C ATOM 0 H VAL A 492 -1.948 -8.493 2.964 1.00 0.00 H new ATOM 0 HA VAL A 492 -1.426 -10.065 0.541 1.00 0.00 H new ATOM 0 HB VAL A 492 -3.575 -10.469 1.629 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -5.225 -8.657 1.930 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -3.746 -8.367 2.876 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -4.022 -7.475 1.360 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -5.127 -9.904 -0.193 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -3.928 -8.768 -0.857 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -3.573 -10.511 -0.810 1.00 0.00 H new ATOM 1022 N LEU A 493 -1.362 -6.871 0.738 1.00 0.00 N ATOM 1023 CA LEU A 493 -1.148 -5.646 -0.011 1.00 0.00 C ATOM 1024 C LEU A 493 0.304 -5.530 -0.461 1.00 0.00 C ATOM 1025 O LEU A 493 0.591 -5.021 -1.544 1.00 0.00 O ATOM 1026 CB LEU A 493 -1.539 -4.426 0.835 1.00 0.00 C ATOM 1027 CG LEU A 493 -1.959 -3.164 0.060 1.00 0.00 C ATOM 1028 CD1 LEU A 493 -2.207 -3.456 -1.414 1.00 0.00 C ATOM 1029 CD2 LEU A 493 -3.199 -2.551 0.686 1.00 0.00 C ATOM 0 H LEU A 493 -1.202 -6.792 1.742 1.00 0.00 H new ATOM 0 HA LEU A 493 -1.781 -5.677 -0.898 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -2.361 -4.714 1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -0.695 -4.169 1.475 1.00 0.00 H new ATOM 0 HG LEU A 493 -1.134 -2.454 0.121 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -2.501 -2.538 -1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -1.295 -3.845 -1.866 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -3.003 -4.195 -1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -3.485 -1.659 0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -4.015 -3.273 0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -2.988 -2.280 1.720 1.00 0.00 H new ATOM 1041 N ALA A 494 1.216 -6.008 0.379 1.00 0.00 N ATOM 1042 CA ALA A 494 2.639 -5.959 0.068 1.00 0.00 C ATOM 1043 C ALA A 494 2.946 -6.692 -1.229 1.00 0.00 C ATOM 1044 O ALA A 494 3.784 -6.256 -2.015 1.00 0.00 O ATOM 1045 CB ALA A 494 3.448 -6.559 1.207 1.00 0.00 C ATOM 0 H ALA A 494 0.995 -6.433 1.279 1.00 0.00 H new ATOM 0 HA ALA A 494 2.918 -4.913 -0.058 1.00 0.00 H new ATOM 0 HB1 ALA A 494 4.509 -6.516 0.962 1.00 0.00 H new ATOM 0 HB2 ALA A 494 3.264 -5.994 2.121 1.00 0.00 H new ATOM 0 HB3 ALA A 494 3.152 -7.597 1.356 1.00 0.00 H new ATOM 1051 N GLN A 495 2.264 -7.812 -1.442 1.00 0.00 N ATOM 1052 CA GLN A 495 2.458 -8.620 -2.632 1.00 0.00 C ATOM 1053 C GLN A 495 2.075 -7.854 -3.894 1.00 0.00 C ATOM 1054 O GLN A 495 2.739 -7.954 -4.925 1.00 0.00 O ATOM 1055 CB GLN A 495 1.619 -9.887 -2.529 1.00 0.00 C ATOM 1056 CG GLN A 495 0.195 -9.636 -2.086 1.00 0.00 C ATOM 1057 CD GLN A 495 -0.817 -9.919 -3.182 1.00 0.00 C ATOM 1058 OE1 GLN A 495 -0.461 -10.359 -4.275 1.00 0.00 O ATOM 1059 NE2 GLN A 495 -2.088 -9.667 -2.893 1.00 0.00 N ATOM 0 H GLN A 495 1.566 -8.181 -0.796 1.00 0.00 H new ATOM 0 HA GLN A 495 3.515 -8.877 -2.700 1.00 0.00 H new ATOM 0 HB2 GLN A 495 1.607 -10.384 -3.499 1.00 0.00 H new ATOM 0 HB3 GLN A 495 2.094 -10.571 -1.826 1.00 0.00 H new ATOM 0 HG2 GLN A 495 -0.028 -10.261 -1.221 1.00 0.00 H new ATOM 0 HG3 GLN A 495 0.096 -8.599 -1.764 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -2.340 -9.303 -1.974 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -2.813 -9.838 -3.590 1.00 0.00 H new ATOM 1068 N ILE A 496 0.982 -7.114 -3.805 1.00 0.00 N ATOM 1069 CA ILE A 496 0.474 -6.346 -4.932 1.00 0.00 C ATOM 1070 C ILE A 496 1.241 -5.037 -5.145 1.00 0.00 C ATOM 1071 O ILE A 496 1.557 -4.675 -6.279 1.00 0.00 O ATOM 1072 CB ILE A 496 -1.024 -6.029 -4.734 1.00 0.00 C ATOM 1073 CG1 ILE A 496 -1.872 -7.264 -5.037 1.00 0.00 C ATOM 1074 CG2 ILE A 496 -1.453 -4.864 -5.611 1.00 0.00 C ATOM 1075 CD1 ILE A 496 -3.126 -7.358 -4.196 1.00 0.00 C ATOM 0 H ILE A 496 0.424 -7.028 -2.955 1.00 0.00 H new ATOM 0 HA ILE A 496 0.614 -6.964 -5.819 1.00 0.00 H new ATOM 0 HB ILE A 496 -1.177 -5.745 -3.693 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -2.151 -7.253 -6.091 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -1.269 -8.157 -4.876 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -2.512 -4.660 -5.453 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -0.871 -3.980 -5.352 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -1.284 -5.115 -6.658 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -3.678 -8.259 -4.465 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -2.854 -7.401 -3.141 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -3.750 -6.483 -4.375 1.00 0.00 H new ATOM 1087 N LEU A 497 1.508 -4.321 -4.057 1.00 0.00 N ATOM 1088 CA LEU A 497 2.204 -3.039 -4.121 1.00 0.00 C ATOM 1089 C LEU A 497 3.370 -3.048 -5.119 1.00 0.00 C ATOM 1090 O LEU A 497 3.478 -2.153 -5.957 1.00 0.00 O ATOM 1091 CB LEU A 497 2.706 -2.656 -2.726 1.00 0.00 C ATOM 1092 CG LEU A 497 1.834 -1.652 -1.959 1.00 0.00 C ATOM 1093 CD1 LEU A 497 1.617 -0.374 -2.760 1.00 0.00 C ATOM 1094 CD2 LEU A 497 0.501 -2.278 -1.598 1.00 0.00 C ATOM 0 H LEU A 497 1.251 -4.609 -3.113 1.00 0.00 H new ATOM 0 HA LEU A 497 1.489 -2.297 -4.477 1.00 0.00 H new ATOM 0 HB2 LEU A 497 2.794 -3.564 -2.129 1.00 0.00 H new ATOM 0 HB3 LEU A 497 3.709 -2.240 -2.822 1.00 0.00 H new ATOM 0 HG LEU A 497 2.362 -1.386 -1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 497 0.995 0.314 -2.187 1.00 0.00 H new ATOM 0 HD12 LEU A 497 2.580 0.093 -2.967 1.00 0.00 H new ATOM 0 HD13 LEU A 497 1.120 -0.614 -3.700 1.00 0.00 H new ATOM 0 HD21 LEU A 497 -0.106 -1.554 -1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 497 -0.019 -2.577 -2.508 1.00 0.00 H new ATOM 0 HD23 LEU A 497 0.668 -3.154 -0.971 1.00 0.00 H new ATOM 1106 N LYS A 498 4.252 -4.041 -5.013 1.00 0.00 N ATOM 1107 CA LYS A 498 5.415 -4.123 -5.902 1.00 0.00 C ATOM 1108 C LYS A 498 5.008 -4.332 -7.353 1.00 0.00 C ATOM 1109 O LYS A 498 5.673 -3.852 -8.271 1.00 0.00 O ATOM 1110 CB LYS A 498 6.363 -5.237 -5.463 1.00 0.00 C ATOM 1111 CG LYS A 498 5.788 -6.634 -5.617 1.00 0.00 C ATOM 1112 CD LYS A 498 5.243 -7.154 -4.301 1.00 0.00 C ATOM 1113 CE LYS A 498 6.318 -7.162 -3.218 1.00 0.00 C ATOM 1114 NZ LYS A 498 6.293 -8.428 -2.436 1.00 0.00 N ATOM 0 H LYS A 498 4.187 -4.794 -4.328 1.00 0.00 H new ATOM 0 HA LYS A 498 5.934 -3.167 -5.831 1.00 0.00 H new ATOM 0 HB2 LYS A 498 7.282 -5.168 -6.044 1.00 0.00 H new ATOM 0 HB3 LYS A 498 6.633 -5.080 -4.419 1.00 0.00 H new ATOM 0 HG2 LYS A 498 4.993 -6.622 -6.363 1.00 0.00 H new ATOM 0 HG3 LYS A 498 6.561 -7.309 -5.985 1.00 0.00 H new ATOM 0 HD2 LYS A 498 4.406 -6.533 -3.981 1.00 0.00 H new ATOM 0 HD3 LYS A 498 4.856 -8.164 -4.439 1.00 0.00 H new ATOM 0 HE2 LYS A 498 7.299 -7.035 -3.676 1.00 0.00 H new ATOM 0 HE3 LYS A 498 6.167 -6.316 -2.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 7.134 -8.476 -1.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 5.436 -8.455 -1.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 6.291 -9.239 -3.088 1.00 0.00 H new ATOM 1128 N ARG A 499 3.917 -5.050 -7.553 1.00 0.00 N ATOM 1129 CA ARG A 499 3.417 -5.326 -8.894 1.00 0.00 C ATOM 1130 C ARG A 499 3.182 -4.032 -9.667 1.00 0.00 C ATOM 1131 O ARG A 499 3.166 -4.021 -10.897 1.00 0.00 O ATOM 1132 CB ARG A 499 2.117 -6.122 -8.815 1.00 0.00 C ATOM 1133 CG ARG A 499 1.909 -7.058 -9.990 1.00 0.00 C ATOM 1134 CD ARG A 499 2.065 -8.511 -9.576 1.00 0.00 C ATOM 1135 NE ARG A 499 1.609 -9.430 -10.615 1.00 0.00 N ATOM 1136 CZ ARG A 499 1.927 -10.722 -10.655 1.00 0.00 C ATOM 1137 NH1 ARG A 499 2.702 -11.251 -9.716 1.00 0.00 N ATOM 1138 NH2 ARG A 499 1.468 -11.488 -11.635 1.00 0.00 N ATOM 0 H ARG A 499 3.357 -5.455 -6.803 1.00 0.00 H new ATOM 0 HA ARG A 499 4.169 -5.912 -9.422 1.00 0.00 H new ATOM 0 HB2 ARG A 499 2.111 -6.703 -7.893 1.00 0.00 H new ATOM 0 HB3 ARG A 499 1.278 -5.428 -8.760 1.00 0.00 H new ATOM 0 HG2 ARG A 499 0.915 -6.902 -10.409 1.00 0.00 H new ATOM 0 HG3 ARG A 499 2.627 -6.823 -10.776 1.00 0.00 H new ATOM 0 HD2 ARG A 499 3.112 -8.712 -9.349 1.00 0.00 H new ATOM 0 HD3 ARG A 499 1.500 -8.690 -8.661 1.00 0.00 H new ATOM 0 HE ARG A 499 1.011 -9.060 -11.354 1.00 0.00 H new ATOM 0 HH11 ARG A 499 3.057 -10.667 -8.959 1.00 0.00 H new ATOM 0 HH12 ARG A 499 2.942 -12.242 -9.752 1.00 0.00 H new ATOM 0 HH21 ARG A 499 0.871 -11.087 -12.359 1.00 0.00 H new ATOM 0 HH22 ARG A 499 1.712 -12.478 -11.665 1.00 0.00 H new ATOM 1152 N LEU A 500 2.988 -2.947 -8.928 1.00 0.00 N ATOM 1153 CA LEU A 500 2.739 -1.642 -9.521 1.00 0.00 C ATOM 1154 C LEU A 500 3.887 -1.194 -10.408 1.00 0.00 C ATOM 1155 O LEU A 500 3.676 -0.726 -11.527 1.00 0.00 O ATOM 1156 CB LEU A 500 2.512 -0.614 -8.417 1.00 0.00 C ATOM 1157 CG LEU A 500 1.384 -0.962 -7.449 1.00 0.00 C ATOM 1158 CD1 LEU A 500 1.372 -0.002 -6.270 1.00 0.00 C ATOM 1159 CD2 LEU A 500 0.047 -0.950 -8.177 1.00 0.00 C ATOM 0 H LEU A 500 2.999 -2.947 -7.908 1.00 0.00 H new ATOM 0 HA LEU A 500 1.850 -1.724 -10.146 1.00 0.00 H new ATOM 0 HB2 LEU A 500 3.436 -0.498 -7.851 1.00 0.00 H new ATOM 0 HB3 LEU A 500 2.295 0.351 -8.876 1.00 0.00 H new ATOM 0 HG LEU A 500 1.554 -1.966 -7.059 1.00 0.00 H new ATOM 0 HD11 LEU A 500 0.561 -0.268 -5.593 1.00 0.00 H new ATOM 0 HD12 LEU A 500 2.322 -0.065 -5.740 1.00 0.00 H new ATOM 0 HD13 LEU A 500 1.224 1.016 -6.631 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -0.751 -1.200 -7.477 1.00 0.00 H new ATOM 0 HD22 LEU A 500 -0.132 0.042 -8.593 1.00 0.00 H new ATOM 0 HD23 LEU A 500 0.065 -1.683 -8.983 1.00 0.00 H new ATOM 1171 N ASN A 501 5.096 -1.318 -9.894 1.00 0.00 N ATOM 1172 CA ASN A 501 6.278 -0.905 -10.628 1.00 0.00 C ATOM 1173 C ASN A 501 6.165 0.575 -10.985 1.00 0.00 C ATOM 1174 O ASN A 501 6.164 0.948 -12.158 1.00 0.00 O ATOM 1175 CB ASN A 501 6.438 -1.761 -11.885 1.00 0.00 C ATOM 1176 CG ASN A 501 7.572 -1.302 -12.775 1.00 0.00 C ATOM 1177 OD1 ASN A 501 7.379 -0.508 -13.695 1.00 0.00 O ATOM 1178 ND2 ASN A 501 8.766 -1.810 -12.503 1.00 0.00 N ATOM 0 H ASN A 501 5.286 -1.702 -8.969 1.00 0.00 H new ATOM 0 HA ASN A 501 7.163 -1.046 -10.007 1.00 0.00 H new ATOM 0 HB2 ASN A 501 6.610 -2.797 -11.592 1.00 0.00 H new ATOM 0 HB3 ASN A 501 5.508 -1.740 -12.452 1.00 0.00 H new ATOM 0 HD21 ASN A 501 9.573 -1.545 -13.067 1.00 0.00 H new ATOM 0 HD22 ASN A 501 8.877 -2.465 -11.729 1.00 0.00 H new ATOM 1185 N PRO A 502 6.052 1.439 -9.961 1.00 0.00 N ATOM 1186 CA PRO A 502 5.923 2.870 -10.122 1.00 0.00 C ATOM 1187 C PRO A 502 7.244 3.578 -9.871 1.00 0.00 C ATOM 1188 O PRO A 502 8.311 2.974 -9.966 1.00 0.00 O ATOM 1189 CB PRO A 502 4.914 3.200 -9.021 1.00 0.00 C ATOM 1190 CG PRO A 502 5.179 2.197 -7.933 1.00 0.00 C ATOM 1191 CD PRO A 502 6.035 1.104 -8.534 1.00 0.00 C ATOM 0 HA PRO A 502 5.623 3.180 -11.123 1.00 0.00 H new ATOM 0 HB2 PRO A 502 5.046 4.219 -8.658 1.00 0.00 H new ATOM 0 HB3 PRO A 502 3.891 3.122 -9.388 1.00 0.00 H new ATOM 0 HG2 PRO A 502 5.689 2.667 -7.092 1.00 0.00 H new ATOM 0 HG3 PRO A 502 4.244 1.788 -7.551 1.00 0.00 H new ATOM 0 HD2 PRO A 502 7.039 1.099 -8.109 1.00 0.00 H new ATOM 0 HD3 PRO A 502 5.610 0.116 -8.357 1.00 0.00 H new ATOM 1199 N GLU A 503 7.166 4.853 -9.533 1.00 0.00 N ATOM 1200 CA GLU A 503 8.346 5.634 -9.249 1.00 0.00 C ATOM 1201 C GLU A 503 8.276 6.187 -7.834 1.00 0.00 C ATOM 1202 O GLU A 503 7.210 6.590 -7.370 1.00 0.00 O ATOM 1203 CB GLU A 503 8.487 6.758 -10.265 1.00 0.00 C ATOM 1204 CG GLU A 503 9.574 6.501 -11.294 1.00 0.00 C ATOM 1205 CD GLU A 503 10.794 7.379 -11.086 1.00 0.00 C ATOM 1206 OE1 GLU A 503 10.632 8.508 -10.576 1.00 0.00 O ATOM 1207 OE2 GLU A 503 11.910 6.937 -11.431 1.00 0.00 O ATOM 0 H GLU A 503 6.289 5.368 -9.450 1.00 0.00 H new ATOM 0 HA GLU A 503 9.225 4.994 -9.324 1.00 0.00 H new ATOM 0 HB2 GLU A 503 7.535 6.897 -10.778 1.00 0.00 H new ATOM 0 HB3 GLU A 503 8.705 7.688 -9.740 1.00 0.00 H new ATOM 0 HG2 GLU A 503 9.873 5.454 -11.248 1.00 0.00 H new ATOM 0 HG3 GLU A 503 9.172 6.674 -12.292 1.00 0.00 H new ATOM 1214 N ARG A 504 9.407 6.188 -7.145 1.00 0.00 N ATOM 1215 CA ARG A 504 9.449 6.673 -5.776 1.00 0.00 C ATOM 1216 C ARG A 504 9.501 8.194 -5.722 1.00 0.00 C ATOM 1217 O ARG A 504 10.252 8.835 -6.456 1.00 0.00 O ATOM 1218 CB ARG A 504 10.645 6.080 -5.035 1.00 0.00 C ATOM 1219 CG ARG A 504 11.990 6.525 -5.590 1.00 0.00 C ATOM 1220 CD ARG A 504 12.849 7.176 -4.518 1.00 0.00 C ATOM 1221 NE ARG A 504 12.522 8.588 -4.336 1.00 0.00 N ATOM 1222 CZ ARG A 504 13.303 9.453 -3.694 1.00 0.00 C ATOM 1223 NH1 ARG A 504 14.457 9.056 -3.173 1.00 0.00 N ATOM 1224 NH2 ARG A 504 12.930 10.721 -3.574 1.00 0.00 N ATOM 0 H ARG A 504 10.302 5.861 -7.509 1.00 0.00 H new ATOM 0 HA ARG A 504 8.531 6.351 -5.285 1.00 0.00 H new ATOM 0 HB2 ARG A 504 10.585 6.360 -3.983 1.00 0.00 H new ATOM 0 HB3 ARG A 504 10.586 4.993 -5.079 1.00 0.00 H new ATOM 0 HG2 ARG A 504 12.515 5.665 -6.006 1.00 0.00 H new ATOM 0 HG3 ARG A 504 11.832 7.228 -6.408 1.00 0.00 H new ATOM 0 HD2 ARG A 504 12.713 6.648 -3.574 1.00 0.00 H new ATOM 0 HD3 ARG A 504 13.901 7.079 -4.788 1.00 0.00 H new ATOM 0 HE ARG A 504 11.643 8.931 -4.724 1.00 0.00 H new ATOM 0 HH11 ARG A 504 14.750 8.083 -3.264 1.00 0.00 H new ATOM 0 HH12 ARG A 504 15.051 9.724 -2.682 1.00 0.00 H new ATOM 0 HH21 ARG A 504 12.045 11.032 -3.974 1.00 0.00 H new ATOM 0 HH22 ARG A 504 13.529 11.384 -3.082 1.00 0.00 H new ATOM 1238 N LYS A 505 8.689 8.754 -4.836 1.00 0.00 N ATOM 1239 CA LYS A 505 8.610 10.198 -4.646 1.00 0.00 C ATOM 1240 C LYS A 505 8.093 10.501 -3.247 1.00 0.00 C ATOM 1241 O LYS A 505 7.472 9.648 -2.617 1.00 0.00 O ATOM 1242 CB LYS A 505 7.686 10.838 -5.690 1.00 0.00 C ATOM 1243 CG LYS A 505 7.717 10.154 -7.048 1.00 0.00 C ATOM 1244 CD LYS A 505 6.809 10.855 -8.046 1.00 0.00 C ATOM 1245 CE LYS A 505 5.342 10.624 -7.723 1.00 0.00 C ATOM 1246 NZ LYS A 505 4.460 11.608 -8.410 1.00 0.00 N ATOM 0 H LYS A 505 8.066 8.222 -4.228 1.00 0.00 H new ATOM 0 HA LYS A 505 9.608 10.618 -4.768 1.00 0.00 H new ATOM 0 HB2 LYS A 505 6.664 10.825 -5.312 1.00 0.00 H new ATOM 0 HB3 LYS A 505 7.966 11.884 -5.815 1.00 0.00 H new ATOM 0 HG2 LYS A 505 8.738 10.144 -7.428 1.00 0.00 H new ATOM 0 HG3 LYS A 505 7.407 9.115 -6.940 1.00 0.00 H new ATOM 0 HD2 LYS A 505 7.019 11.924 -8.042 1.00 0.00 H new ATOM 0 HD3 LYS A 505 7.023 10.492 -9.051 1.00 0.00 H new ATOM 0 HE2 LYS A 505 5.060 9.614 -8.020 1.00 0.00 H new ATOM 0 HE3 LYS A 505 5.192 10.693 -6.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 3.468 11.416 -8.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 4.712 12.571 -8.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 4.583 11.525 -9.439 1.00 0.00 H new ATOM 1260 N MET A 506 8.350 11.706 -2.755 1.00 0.00 N ATOM 1261 CA MET A 506 7.899 12.077 -1.421 1.00 0.00 C ATOM 1262 C MET A 506 6.702 13.022 -1.472 1.00 0.00 C ATOM 1263 O MET A 506 6.824 14.180 -1.873 1.00 0.00 O ATOM 1264 CB MET A 506 9.037 12.714 -0.621 1.00 0.00 C ATOM 1265 CG MET A 506 9.702 13.891 -1.317 1.00 0.00 C ATOM 1266 SD MET A 506 10.149 15.211 -0.170 1.00 0.00 S ATOM 1267 CE MET A 506 10.673 14.265 1.260 1.00 0.00 C ATOM 0 H MET A 506 8.862 12.435 -3.252 1.00 0.00 H new ATOM 0 HA MET A 506 7.584 11.161 -0.921 1.00 0.00 H new ATOM 0 HB2 MET A 506 8.648 13.047 0.341 1.00 0.00 H new ATOM 0 HB3 MET A 506 9.791 11.955 -0.414 1.00 0.00 H new ATOM 0 HG2 MET A 506 10.597 13.545 -1.834 1.00 0.00 H new ATOM 0 HG3 MET A 506 9.028 14.287 -2.077 1.00 0.00 H new ATOM 0 HE1 MET A 506 11.159 14.927 1.976 1.00 0.00 H new ATOM 0 HE2 MET A 506 9.805 13.801 1.727 1.00 0.00 H new ATOM 0 HE3 MET A 506 11.374 13.491 0.947 1.00 0.00 H new ATOM 1277 N ILE A 507 5.548 12.522 -1.041 1.00 0.00 N ATOM 1278 CA ILE A 507 4.329 13.318 -1.013 1.00 0.00 C ATOM 1279 C ILE A 507 4.192 14.016 0.338 1.00 0.00 C ATOM 1280 O ILE A 507 3.961 13.370 1.360 1.00 0.00 O ATOM 1281 CB ILE A 507 3.069 12.446 -1.271 1.00 0.00 C ATOM 1282 CG1 ILE A 507 2.956 12.014 -2.746 1.00 0.00 C ATOM 1283 CG2 ILE A 507 1.809 13.192 -0.859 1.00 0.00 C ATOM 1284 CD1 ILE A 507 3.855 12.778 -3.695 1.00 0.00 C ATOM 0 H ILE A 507 5.433 11.566 -0.706 1.00 0.00 H new ATOM 0 HA ILE A 507 4.401 14.059 -1.809 1.00 0.00 H new ATOM 0 HB ILE A 507 3.175 11.547 -0.664 1.00 0.00 H new ATOM 0 HG12 ILE A 507 3.191 10.952 -2.819 1.00 0.00 H new ATOM 0 HG13 ILE A 507 1.922 12.135 -3.069 1.00 0.00 H new ATOM 0 HG21 ILE A 507 0.937 12.565 -1.047 1.00 0.00 H new ATOM 0 HG22 ILE A 507 1.860 13.434 0.203 1.00 0.00 H new ATOM 0 HG23 ILE A 507 1.726 14.112 -1.437 1.00 0.00 H new ATOM 0 HD11 ILE A 507 3.710 12.409 -4.710 1.00 0.00 H new ATOM 0 HD12 ILE A 507 3.607 13.839 -3.656 1.00 0.00 H new ATOM 0 HD13 ILE A 507 4.896 12.637 -3.403 1.00 0.00 H new ATOM 1296 N ASN A 508 4.336 15.337 0.336 1.00 0.00 N ATOM 1297 CA ASN A 508 4.231 16.118 1.563 1.00 0.00 C ATOM 1298 C ASN A 508 5.262 15.656 2.591 1.00 0.00 C ATOM 1299 O ASN A 508 4.956 15.522 3.776 1.00 0.00 O ATOM 1300 CB ASN A 508 2.821 16.000 2.146 1.00 0.00 C ATOM 1301 CG ASN A 508 2.516 17.098 3.147 1.00 0.00 C ATOM 1302 OD1 ASN A 508 2.205 18.228 2.769 1.00 0.00 O ATOM 1303 ND2 ASN A 508 2.606 16.771 4.430 1.00 0.00 N ATOM 0 H ASN A 508 4.526 15.889 -0.501 1.00 0.00 H new ATOM 0 HA ASN A 508 4.430 17.162 1.321 1.00 0.00 H new ATOM 0 HB2 ASN A 508 2.092 16.037 1.337 1.00 0.00 H new ATOM 0 HB3 ASN A 508 2.711 15.030 2.630 1.00 0.00 H new ATOM 0 HD21 ASN A 508 2.414 17.469 5.149 1.00 0.00 H new ATOM 0 HD22 ASN A 508 2.867 15.822 4.697 1.00 0.00 H new ATOM 1310 N ASP A 509 6.485 15.414 2.127 1.00 0.00 N ATOM 1311 CA ASP A 509 7.568 14.966 2.999 1.00 0.00 C ATOM 1312 C ASP A 509 7.396 13.499 3.393 1.00 0.00 C ATOM 1313 O ASP A 509 8.078 13.008 4.293 1.00 0.00 O ATOM 1314 CB ASP A 509 7.640 15.837 4.257 1.00 0.00 C ATOM 1315 CG ASP A 509 9.061 16.018 4.754 1.00 0.00 C ATOM 1316 OD1 ASP A 509 9.778 16.879 4.204 1.00 0.00 O ATOM 1317 OD2 ASP A 509 9.457 15.297 5.695 1.00 0.00 O ATOM 0 H ASP A 509 6.752 15.521 1.148 1.00 0.00 H new ATOM 0 HA ASP A 509 8.500 15.063 2.442 1.00 0.00 H new ATOM 0 HB2 ASP A 509 7.205 16.814 4.045 1.00 0.00 H new ATOM 0 HB3 ASP A 509 7.038 15.384 5.044 1.00 0.00 H new ATOM 1322 N LYS A 510 6.487 12.802 2.714 1.00 0.00 N ATOM 1323 CA LYS A 510 6.239 11.393 3.000 1.00 0.00 C ATOM 1324 C LYS A 510 6.601 10.524 1.801 1.00 0.00 C ATOM 1325 O LYS A 510 6.191 10.807 0.678 1.00 0.00 O ATOM 1326 CB LYS A 510 4.772 11.173 3.369 1.00 0.00 C ATOM 1327 CG LYS A 510 4.517 9.832 4.038 1.00 0.00 C ATOM 1328 CD LYS A 510 4.553 9.947 5.555 1.00 0.00 C ATOM 1329 CE LYS A 510 5.852 10.574 6.039 1.00 0.00 C ATOM 1330 NZ LYS A 510 7.021 9.686 5.797 1.00 0.00 N ATOM 0 H LYS A 510 5.913 13.189 1.965 1.00 0.00 H new ATOM 0 HA LYS A 510 6.867 11.107 3.843 1.00 0.00 H new ATOM 0 HB2 LYS A 510 4.448 11.972 4.036 1.00 0.00 H new ATOM 0 HB3 LYS A 510 4.163 11.244 2.468 1.00 0.00 H new ATOM 0 HG2 LYS A 510 3.547 9.447 3.725 1.00 0.00 H new ATOM 0 HG3 LYS A 510 5.267 9.112 3.709 1.00 0.00 H new ATOM 0 HD2 LYS A 510 3.710 10.548 5.895 1.00 0.00 H new ATOM 0 HD3 LYS A 510 4.439 8.958 5.998 1.00 0.00 H new ATOM 0 HE2 LYS A 510 6.007 11.525 5.530 1.00 0.00 H new ATOM 0 HE3 LYS A 510 5.775 10.791 7.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 7.900 10.220 5.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 6.987 8.881 6.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 6.994 9.335 4.818 1.00 0.00 H new ATOM 1344 N MET A 511 7.366 9.467 2.045 1.00 0.00 N ATOM 1345 CA MET A 511 7.771 8.569 0.971 1.00 0.00 C ATOM 1346 C MET A 511 6.561 7.870 0.356 1.00 0.00 C ATOM 1347 O MET A 511 5.952 6.999 0.974 1.00 0.00 O ATOM 1348 CB MET A 511 8.763 7.529 1.496 1.00 0.00 C ATOM 1349 CG MET A 511 10.213 7.977 1.420 1.00 0.00 C ATOM 1350 SD MET A 511 11.052 7.368 -0.055 1.00 0.00 S ATOM 1351 CE MET A 511 9.820 7.707 -1.310 1.00 0.00 C ATOM 0 H MET A 511 7.716 9.212 2.969 1.00 0.00 H new ATOM 0 HA MET A 511 8.254 9.165 0.197 1.00 0.00 H new ATOM 0 HB2 MET A 511 8.518 7.296 2.532 1.00 0.00 H new ATOM 0 HB3 MET A 511 8.646 6.608 0.926 1.00 0.00 H new ATOM 0 HG2 MET A 511 10.254 9.066 1.433 1.00 0.00 H new ATOM 0 HG3 MET A 511 10.744 7.628 2.306 1.00 0.00 H new ATOM 0 HE1 MET A 511 10.264 7.587 -2.298 1.00 0.00 H new ATOM 0 HE2 MET A 511 8.987 7.012 -1.200 1.00 0.00 H new ATOM 0 HE3 MET A 511 9.457 8.729 -1.197 1.00 0.00 H new ATOM 1361 N HIS A 512 6.231 8.259 -0.871 1.00 0.00 N ATOM 1362 CA HIS A 512 5.108 7.683 -1.593 1.00 0.00 C ATOM 1363 C HIS A 512 5.565 7.081 -2.920 1.00 0.00 C ATOM 1364 O HIS A 512 6.375 7.672 -3.633 1.00 0.00 O ATOM 1365 CB HIS A 512 4.043 8.747 -1.867 1.00 0.00 C ATOM 1366 CG HIS A 512 3.233 9.133 -0.668 1.00 0.00 C ATOM 1367 ND1 HIS A 512 1.870 9.336 -0.719 1.00 0.00 N ATOM 1368 CD2 HIS A 512 3.598 9.367 0.614 1.00 0.00 C ATOM 1369 CE1 HIS A 512 1.433 9.679 0.480 1.00 0.00 C ATOM 1370 NE2 HIS A 512 2.461 9.705 1.306 1.00 0.00 N ATOM 0 H HIS A 512 6.734 8.980 -1.389 1.00 0.00 H new ATOM 0 HA HIS A 512 4.684 6.895 -0.970 1.00 0.00 H new ATOM 0 HB2 HIS A 512 4.530 9.638 -2.264 1.00 0.00 H new ATOM 0 HB3 HIS A 512 3.370 8.380 -2.642 1.00 0.00 H new ATOM 0 HD1 HIS A 512 1.290 9.237 -1.552 1.00 0.00 H new ATOM 0 HD2 HIS A 512 4.597 9.300 1.018 1.00 0.00 H new ATOM 0 HE1 HIS A 512 0.408 9.900 0.739 1.00 0.00 H new ATOM 1379 N PHE A 513 5.033 5.913 -3.248 1.00 0.00 N ATOM 1380 CA PHE A 513 5.368 5.232 -4.488 1.00 0.00 C ATOM 1381 C PHE A 513 4.165 5.231 -5.428 1.00 0.00 C ATOM 1382 O PHE A 513 3.064 4.853 -5.029 1.00 0.00 O ATOM 1383 CB PHE A 513 5.815 3.799 -4.190 1.00 0.00 C ATOM 1384 CG PHE A 513 5.590 3.379 -2.762 1.00 0.00 C ATOM 1385 CD1 PHE A 513 6.567 3.593 -1.804 1.00 0.00 C ATOM 1386 CD2 PHE A 513 4.400 2.782 -2.379 1.00 0.00 C ATOM 1387 CE1 PHE A 513 6.362 3.218 -0.490 1.00 0.00 C ATOM 1388 CE2 PHE A 513 4.190 2.404 -1.068 1.00 0.00 C ATOM 1389 CZ PHE A 513 5.173 2.623 -0.123 1.00 0.00 C ATOM 0 H PHE A 513 4.361 5.414 -2.665 1.00 0.00 H new ATOM 0 HA PHE A 513 6.187 5.761 -4.975 1.00 0.00 H new ATOM 0 HB2 PHE A 513 5.279 3.116 -4.849 1.00 0.00 H new ATOM 0 HB3 PHE A 513 6.875 3.702 -4.425 1.00 0.00 H new ATOM 0 HD1 PHE A 513 7.500 4.058 -2.087 1.00 0.00 H new ATOM 0 HD2 PHE A 513 3.628 2.610 -3.114 1.00 0.00 H new ATOM 0 HE1 PHE A 513 7.131 3.390 0.248 1.00 0.00 H new ATOM 0 HE2 PHE A 513 3.259 1.938 -0.782 1.00 0.00 H new ATOM 0 HZ PHE A 513 5.011 2.328 0.903 1.00 0.00 H new ATOM 1399 N SER A 514 4.367 5.671 -6.670 1.00 0.00 N ATOM 1400 CA SER A 514 3.270 5.724 -7.631 1.00 0.00 C ATOM 1401 C SER A 514 3.720 6.255 -8.990 1.00 0.00 C ATOM 1402 O SER A 514 4.822 6.782 -9.136 1.00 0.00 O ATOM 1403 CB SER A 514 2.142 6.601 -7.084 1.00 0.00 C ATOM 1404 OG SER A 514 0.951 5.852 -6.924 1.00 0.00 O ATOM 0 H SER A 514 5.267 5.991 -7.029 1.00 0.00 H new ATOM 0 HA SER A 514 2.914 4.704 -7.776 1.00 0.00 H new ATOM 0 HB2 SER A 514 2.440 7.027 -6.126 1.00 0.00 H new ATOM 0 HB3 SER A 514 1.963 7.435 -7.762 1.00 0.00 H new ATOM 0 HG SER A 514 0.774 5.720 -5.969 1.00 0.00 H new ATOM 1410 N LEU A 515 2.835 6.123 -9.975 1.00 0.00 N ATOM 1411 CA LEU A 515 3.091 6.593 -11.321 1.00 0.00 C ATOM 1412 C LEU A 515 2.014 7.588 -11.716 1.00 0.00 C ATOM 1413 O LEU A 515 1.007 7.724 -11.020 1.00 0.00 O ATOM 1414 CB LEU A 515 3.130 5.441 -12.329 1.00 0.00 C ATOM 1415 CG LEU A 515 1.884 4.559 -12.344 1.00 0.00 C ATOM 1416 CD1 LEU A 515 1.804 3.743 -13.624 1.00 0.00 C ATOM 1417 CD2 LEU A 515 1.891 3.649 -11.137 1.00 0.00 C ATOM 0 H LEU A 515 1.921 5.686 -9.855 1.00 0.00 H new ATOM 0 HA LEU A 515 4.070 7.073 -11.333 1.00 0.00 H new ATOM 0 HB2 LEU A 515 3.277 5.855 -13.327 1.00 0.00 H new ATOM 0 HB3 LEU A 515 3.997 4.817 -12.112 1.00 0.00 H new ATOM 0 HG LEU A 515 1.004 5.202 -12.305 1.00 0.00 H new ATOM 0 HD11 LEU A 515 0.906 3.125 -13.606 1.00 0.00 H new ATOM 0 HD12 LEU A 515 1.765 4.414 -14.482 1.00 0.00 H new ATOM 0 HD13 LEU A 515 2.683 3.104 -13.704 1.00 0.00 H new ATOM 0 HD21 LEU A 515 1.001 3.020 -11.150 1.00 0.00 H new ATOM 0 HD22 LEU A 515 2.780 3.019 -11.161 1.00 0.00 H new ATOM 0 HD23 LEU A 515 1.897 4.250 -10.228 1.00 0.00 H new ATOM 1429 N LYS A 516 2.215 8.278 -12.824 1.00 0.00 N ATOM 1430 CA LYS A 516 1.236 9.247 -13.278 1.00 0.00 C ATOM 1431 C LYS A 516 0.914 9.062 -14.754 1.00 0.00 C ATOM 1432 O LYS A 516 1.719 9.394 -15.624 1.00 0.00 O ATOM 1433 CB LYS A 516 1.700 10.674 -12.999 1.00 0.00 C ATOM 1434 CG LYS A 516 3.074 10.743 -12.377 1.00 0.00 C ATOM 1435 CD LYS A 516 4.137 10.326 -13.371 1.00 0.00 C ATOM 1436 CE LYS A 516 5.271 9.571 -12.696 1.00 0.00 C ATOM 1437 NZ LYS A 516 6.475 9.479 -13.566 1.00 0.00 N ATOM 0 H LYS A 516 3.038 8.187 -13.420 1.00 0.00 H new ATOM 0 HA LYS A 516 0.320 9.074 -12.713 1.00 0.00 H new ATOM 0 HB2 LYS A 516 1.702 11.237 -13.932 1.00 0.00 H new ATOM 0 HB3 LYS A 516 0.984 11.159 -12.336 1.00 0.00 H new ATOM 0 HG2 LYS A 516 3.271 11.758 -12.032 1.00 0.00 H new ATOM 0 HG3 LYS A 516 3.114 10.095 -11.501 1.00 0.00 H new ATOM 0 HD2 LYS A 516 3.689 9.698 -14.141 1.00 0.00 H new ATOM 0 HD3 LYS A 516 4.534 11.209 -13.871 1.00 0.00 H new ATOM 0 HE2 LYS A 516 5.535 10.070 -11.764 1.00 0.00 H new ATOM 0 HE3 LYS A 516 4.934 8.568 -12.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 7.224 8.957 -13.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 6.231 8.980 -14.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 6.813 10.436 -13.794 1.00 0.00 H new ATOM 1451 N GLU A 517 -0.273 8.529 -15.025 1.00 0.00 N ATOM 1452 CA GLU A 517 -0.714 8.294 -16.387 1.00 0.00 C ATOM 1453 C GLU A 517 -0.701 9.585 -17.199 1.00 0.00 C ATOM 1454 O GLU A 517 -0.116 9.582 -18.303 1.00 0.00 O ATOM 1455 CB GLU A 517 -2.119 7.700 -16.369 1.00 0.00 C ATOM 1456 CG GLU A 517 -3.075 8.424 -15.432 1.00 0.00 C ATOM 1457 CD GLU A 517 -4.239 9.064 -16.165 1.00 0.00 C ATOM 1458 OE1 GLU A 517 -4.708 8.476 -17.161 1.00 0.00 O ATOM 1459 OE2 GLU A 517 -4.679 10.154 -15.743 1.00 0.00 O ATOM 1460 OXT GLU A 517 -1.275 10.587 -16.726 1.00 0.00 O ATOM 0 H GLU A 517 -0.947 8.252 -14.312 1.00 0.00 H new ATOM 0 HA GLU A 517 -0.026 7.594 -16.860 1.00 0.00 H new ATOM 0 HB2 GLU A 517 -2.527 7.723 -17.379 1.00 0.00 H new ATOM 0 HB3 GLU A 517 -2.058 6.653 -16.074 1.00 0.00 H new ATOM 0 HG2 GLU A 517 -3.459 7.719 -14.695 1.00 0.00 H new ATOM 0 HG3 GLU A 517 -2.529 9.192 -14.884 1.00 0.00 H new