USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=20 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 469 THR OG1 : rot -170:sc= 0.983 USER MOD Set 1.2: A 470 THR OG1 : rot 130:sc= 0.348 USER MOD Set 1.3: A 471 LYS NZ :NH3+ 155:sc= 0.89 (180deg=-2.14!) USER MOD Single : A 455 THR OG1 : rot 180:sc= -0.0667 USER MOD Single : A 462 TYR OH : rot 94:sc= 0.686 USER MOD Single : A 464 THR OG1 : rot -71:sc= -0.686 USER MOD Single : A 466 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 468 MET CE :methyl -158:sc= -7.01! (180deg=-9.64!) USER MOD Single : A 475 LYS NZ :NH3+ -169:sc= 0.24 (180deg=0.138) USER MOD Single : A 476 LYS NZ :NH3+ 170:sc= -2.87! (180deg=-3.29!) USER MOD Single : A 485 SER OG : rot 180:sc= 0 USER MOD Single : A 486 SER OG : rot 92:sc= 0.0768 USER MOD Single : A 488 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 489 THR OG1 : rot 90:sc= 0.13 USER MOD Single : A 491 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 495 GLN : amide:sc= -3.95! K(o=-3.9!,f=-2.9) USER MOD Single : A 498 LYS NZ :NH3+ 170:sc= -2.78! (180deg=-3.06!) USER MOD Single : A 501 ASN : amide:sc= -2.06 K(o=-2.1,f=-5.2!) USER MOD Single : A 505 LYS NZ :NH3+ 146:sc= -2.05 (180deg=-3.96!) USER MOD Single : A 506 MET CE :methyl -168:sc= -2.04! (180deg=-2.31!) USER MOD Single : A 508 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 511 MET CE :methyl -152:sc= -0.963 (180deg=-2.23) USER MOD Single : A 512 HIS : no HE2:sc= -8.21! C(o=-8.2!,f=-15!) USER MOD Single : A 514 SER OG : rot 59:sc= -6.7! USER MOD Single : A 516 LYS NZ :NH3+ -173:sc= -0.364 (180deg=-0.477) USER MOD Single : B 589 HIS : no HD1:sc= -2.2 K(o=-2.2,f=-1.1) USER MOD Single : B 592 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N ASP B 587 1.417 -2.502 12.848 1.00 0.00 N ATOM 75 CA ASP B 587 2.363 -1.594 12.227 1.00 0.00 C ATOM 76 C ASP B 587 3.769 -2.187 12.193 1.00 0.00 C ATOM 77 O ASP B 587 4.603 -1.787 11.378 1.00 0.00 O ATOM 78 CB ASP B 587 2.372 -0.263 12.979 1.00 0.00 C ATOM 79 CG ASP B 587 2.135 0.923 12.064 1.00 0.00 C ATOM 80 OD1 ASP B 587 0.964 1.170 11.706 1.00 0.00 O ATOM 81 OD2 ASP B 587 3.119 1.602 11.704 1.00 0.00 O ATOM 0 HA ASP B 587 2.047 -1.429 11.197 1.00 0.00 H new ATOM 0 HB2 ASP B 587 1.603 -0.281 13.752 1.00 0.00 H new ATOM 0 HB3 ASP B 587 3.330 -0.142 13.485 1.00 0.00 H new ATOM 86 N ASP B 588 4.030 -3.136 13.086 1.00 0.00 N ATOM 87 CA ASP B 588 5.337 -3.778 13.164 1.00 0.00 C ATOM 88 C ASP B 588 5.794 -4.285 11.805 1.00 0.00 C ATOM 89 O ASP B 588 6.878 -3.945 11.332 1.00 0.00 O ATOM 90 CB ASP B 588 5.295 -4.926 14.159 1.00 0.00 C ATOM 91 CG ASP B 588 6.672 -5.303 14.670 1.00 0.00 C ATOM 92 OD1 ASP B 588 7.401 -4.401 15.133 1.00 0.00 O ATOM 93 OD2 ASP B 588 7.022 -6.500 14.606 1.00 0.00 O ATOM 0 H ASP B 588 3.352 -3.478 13.767 1.00 0.00 H new ATOM 0 HA ASP B 588 6.055 -3.031 13.501 1.00 0.00 H new ATOM 0 HB2 ASP B 588 4.662 -4.649 15.002 1.00 0.00 H new ATOM 0 HB3 ASP B 588 4.836 -5.795 13.687 1.00 0.00 H new ATOM 98 N HIS B 589 4.959 -5.099 11.187 1.00 0.00 N ATOM 99 CA HIS B 589 5.257 -5.664 9.885 1.00 0.00 C ATOM 100 C HIS B 589 4.983 -4.658 8.771 1.00 0.00 C ATOM 101 O HIS B 589 5.523 -4.773 7.670 1.00 0.00 O ATOM 102 CB HIS B 589 4.429 -6.927 9.663 1.00 0.00 C ATOM 103 CG HIS B 589 2.996 -6.796 10.077 1.00 0.00 C ATOM 104 ND1 HIS B 589 2.355 -7.721 10.874 1.00 0.00 N ATOM 105 CD2 HIS B 589 2.078 -5.840 9.800 1.00 0.00 C ATOM 106 CE1 HIS B 589 1.106 -7.341 11.068 1.00 0.00 C ATOM 107 NE2 HIS B 589 0.912 -6.204 10.427 1.00 0.00 N ATOM 0 H HIS B 589 4.059 -5.386 11.572 1.00 0.00 H new ATOM 0 HA HIS B 589 6.317 -5.917 9.860 1.00 0.00 H new ATOM 0 HB2 HIS B 589 4.469 -7.194 8.607 1.00 0.00 H new ATOM 0 HB3 HIS B 589 4.883 -7.749 10.217 1.00 0.00 H new ATOM 0 HD2 HIS B 589 2.234 -4.957 9.199 1.00 0.00 H new ATOM 0 HE1 HIS B 589 0.368 -7.871 11.652 1.00 0.00 H new ATOM 0 HE2 HIS B 589 0.037 -5.680 10.401 1.00 0.00 H new ATOM 116 N LEU B 590 4.140 -3.672 9.061 1.00 0.00 N ATOM 117 CA LEU B 590 3.793 -2.646 8.083 1.00 0.00 C ATOM 118 C LEU B 590 5.044 -2.004 7.496 1.00 0.00 C ATOM 119 O LEU B 590 5.042 -1.542 6.358 1.00 0.00 O ATOM 120 CB LEU B 590 2.911 -1.571 8.714 1.00 0.00 C ATOM 121 CG LEU B 590 2.619 -0.377 7.804 1.00 0.00 C ATOM 122 CD1 LEU B 590 1.691 -0.784 6.670 1.00 0.00 C ATOM 123 CD2 LEU B 590 2.028 0.772 8.606 1.00 0.00 C ATOM 0 H LEU B 590 3.684 -3.562 9.967 1.00 0.00 H new ATOM 0 HA LEU B 590 3.239 -3.132 7.280 1.00 0.00 H new ATOM 0 HB2 LEU B 590 1.966 -2.024 9.013 1.00 0.00 H new ATOM 0 HB3 LEU B 590 3.393 -1.210 9.623 1.00 0.00 H new ATOM 0 HG LEU B 590 3.558 -0.037 7.366 1.00 0.00 H new ATOM 0 HD11 LEU B 590 1.495 0.079 6.033 1.00 0.00 H new ATOM 0 HD12 LEU B 590 2.161 -1.571 6.080 1.00 0.00 H new ATOM 0 HD13 LEU B 590 0.752 -1.152 7.083 1.00 0.00 H new ATOM 0 HD21 LEU B 590 1.827 1.613 7.943 1.00 0.00 H new ATOM 0 HD22 LEU B 590 1.098 0.449 9.074 1.00 0.00 H new ATOM 0 HD23 LEU B 590 2.735 1.079 9.377 1.00 0.00 H new ATOM 135 N ILE B 591 6.108 -1.963 8.280 1.00 0.00 N ATOM 136 CA ILE B 591 7.349 -1.374 7.826 1.00 0.00 C ATOM 137 C ILE B 591 8.185 -2.397 7.053 1.00 0.00 C ATOM 138 O ILE B 591 8.960 -2.041 6.166 1.00 0.00 O ATOM 139 CB ILE B 591 8.168 -0.802 9.002 1.00 0.00 C ATOM 140 CG1 ILE B 591 7.389 0.329 9.679 1.00 0.00 C ATOM 141 CG2 ILE B 591 9.525 -0.302 8.523 1.00 0.00 C ATOM 142 CD1 ILE B 591 8.042 0.837 10.945 1.00 0.00 C ATOM 0 H ILE B 591 6.134 -2.331 9.231 1.00 0.00 H new ATOM 0 HA ILE B 591 7.093 -0.551 7.159 1.00 0.00 H new ATOM 0 HB ILE B 591 8.338 -1.598 9.727 1.00 0.00 H new ATOM 0 HG12 ILE B 591 7.282 1.156 8.978 1.00 0.00 H new ATOM 0 HG13 ILE B 591 6.384 -0.022 9.914 1.00 0.00 H new ATOM 0 HG21 ILE B 591 10.085 0.097 9.369 1.00 0.00 H new ATOM 0 HG22 ILE B 591 10.080 -1.127 8.077 1.00 0.00 H new ATOM 0 HG23 ILE B 591 9.382 0.483 7.780 1.00 0.00 H new ATOM 0 HD11 ILE B 591 7.436 1.637 11.371 1.00 0.00 H new ATOM 0 HD12 ILE B 591 8.125 0.022 11.664 1.00 0.00 H new ATOM 0 HD13 ILE B 591 9.036 1.219 10.714 1.00 0.00 H new ATOM 154 N TYR B 592 8.027 -3.673 7.409 1.00 0.00 N ATOM 155 CA TYR B 592 8.769 -4.757 6.764 1.00 0.00 C ATOM 156 C TYR B 592 8.395 -4.904 5.294 1.00 0.00 C ATOM 157 O TYR B 592 9.268 -5.045 4.438 1.00 0.00 O ATOM 158 CB TYR B 592 8.549 -6.076 7.528 1.00 0.00 C ATOM 159 CG TYR B 592 8.183 -7.251 6.648 1.00 0.00 C ATOM 160 CD1 TYR B 592 6.922 -7.342 6.082 1.00 0.00 C ATOM 161 CD2 TYR B 592 9.103 -8.253 6.367 1.00 0.00 C ATOM 162 CE1 TYR B 592 6.581 -8.392 5.264 1.00 0.00 C ATOM 163 CE2 TYR B 592 8.768 -9.316 5.549 1.00 0.00 C ATOM 164 CZ TYR B 592 7.505 -9.381 4.999 1.00 0.00 C ATOM 165 OH TYR B 592 7.167 -10.433 4.180 1.00 0.00 O ATOM 0 H TYR B 592 7.390 -3.981 8.143 1.00 0.00 H new ATOM 0 HA TYR B 592 9.829 -4.506 6.797 1.00 0.00 H new ATOM 0 HB2 TYR B 592 9.457 -6.319 8.079 1.00 0.00 H new ATOM 0 HB3 TYR B 592 7.759 -5.928 8.264 1.00 0.00 H new ATOM 0 HD1 TYR B 592 6.193 -6.573 6.288 1.00 0.00 H new ATOM 0 HD2 TYR B 592 10.094 -8.201 6.793 1.00 0.00 H new ATOM 0 HE1 TYR B 592 5.593 -8.443 4.830 1.00 0.00 H new ATOM 0 HE2 TYR B 592 9.491 -10.091 5.342 1.00 0.00 H new ATOM 0 HH TYR B 592 7.931 -11.041 4.096 1.00 0.00 H new ATOM 175 N LEU B 593 7.110 -4.877 5.006 1.00 0.00 N ATOM 176 CA LEU B 593 6.649 -5.016 3.630 1.00 0.00 C ATOM 177 C LEU B 593 7.006 -3.776 2.824 1.00 0.00 C ATOM 178 O LEU B 593 7.014 -3.801 1.594 1.00 0.00 O ATOM 179 CB LEU B 593 5.141 -5.316 3.567 1.00 0.00 C ATOM 180 CG LEU B 593 4.199 -4.113 3.447 1.00 0.00 C ATOM 181 CD1 LEU B 593 4.440 -3.138 4.578 1.00 0.00 C ATOM 182 CD2 LEU B 593 4.344 -3.429 2.095 1.00 0.00 C ATOM 0 H LEU B 593 6.368 -4.761 5.696 1.00 0.00 H new ATOM 0 HA LEU B 593 7.161 -5.869 3.185 1.00 0.00 H new ATOM 0 HB2 LEU B 593 4.961 -5.974 2.717 1.00 0.00 H new ATOM 0 HB3 LEU B 593 4.868 -5.872 4.464 1.00 0.00 H new ATOM 0 HG LEU B 593 3.174 -4.477 3.520 1.00 0.00 H new ATOM 0 HD11 LEU B 593 3.763 -2.290 4.478 1.00 0.00 H new ATOM 0 HD12 LEU B 593 4.260 -3.635 5.531 1.00 0.00 H new ATOM 0 HD13 LEU B 593 5.471 -2.786 4.541 1.00 0.00 H new ATOM 0 HD21 LEU B 593 3.662 -2.580 2.042 1.00 0.00 H new ATOM 0 HD22 LEU B 593 5.369 -3.080 1.972 1.00 0.00 H new ATOM 0 HD23 LEU B 593 4.104 -4.137 1.302 1.00 0.00 H new ATOM 194 N GLU B 594 7.298 -2.687 3.517 1.00 0.00 N ATOM 195 CA GLU B 594 7.654 -1.453 2.850 1.00 0.00 C ATOM 196 C GLU B 594 8.936 -1.621 2.043 1.00 0.00 C ATOM 197 O GLU B 594 9.127 -0.967 1.019 1.00 0.00 O ATOM 198 CB GLU B 594 7.815 -0.327 3.858 1.00 0.00 C ATOM 199 CG GLU B 594 8.166 1.012 3.231 1.00 0.00 C ATOM 200 CD GLU B 594 7.993 2.171 4.193 1.00 0.00 C ATOM 201 OE1 GLU B 594 7.988 1.929 5.418 1.00 0.00 O ATOM 202 OE2 GLU B 594 7.863 3.320 3.721 1.00 0.00 O ATOM 0 H GLU B 594 7.295 -2.636 4.536 1.00 0.00 H new ATOM 0 HA GLU B 594 6.846 -1.197 2.165 1.00 0.00 H new ATOM 0 HB2 GLU B 594 6.888 -0.222 4.422 1.00 0.00 H new ATOM 0 HB3 GLU B 594 8.593 -0.599 4.571 1.00 0.00 H new ATOM 0 HG2 GLU B 594 9.198 0.986 2.882 1.00 0.00 H new ATOM 0 HG3 GLU B 594 7.537 1.175 2.356 1.00 0.00 H new ATOM 209 N GLU B 595 9.815 -2.498 2.522 1.00 0.00 N ATOM 210 CA GLU B 595 11.093 -2.748 1.856 1.00 0.00 C ATOM 211 C GLU B 595 10.944 -3.692 0.668 1.00 0.00 C ATOM 212 O GLU B 595 11.478 -3.434 -0.411 1.00 0.00 O ATOM 213 CB GLU B 595 12.127 -3.289 2.857 1.00 0.00 C ATOM 214 CG GLU B 595 12.027 -4.784 3.125 1.00 0.00 C ATOM 215 CD GLU B 595 12.783 -5.611 2.104 1.00 0.00 C ATOM 216 OE1 GLU B 595 14.016 -5.440 1.996 1.00 0.00 O ATOM 217 OE2 GLU B 595 12.144 -6.430 1.412 1.00 0.00 O ATOM 0 H GLU B 595 9.667 -3.048 3.368 1.00 0.00 H new ATOM 0 HA GLU B 595 11.449 -1.795 1.466 1.00 0.00 H new ATOM 0 HB2 GLU B 595 13.126 -3.066 2.483 1.00 0.00 H new ATOM 0 HB3 GLU B 595 12.013 -2.756 3.801 1.00 0.00 H new ATOM 0 HG2 GLU B 595 12.416 -4.998 4.120 1.00 0.00 H new ATOM 0 HG3 GLU B 595 10.978 -5.080 3.123 1.00 0.00 H new ATOM 224 N ILE B 596 10.218 -4.781 0.867 1.00 0.00 N ATOM 225 CA ILE B 596 10.005 -5.760 -0.206 1.00 0.00 C ATOM 226 C ILE B 596 9.425 -5.098 -1.445 1.00 0.00 C ATOM 227 O ILE B 596 9.612 -5.576 -2.565 1.00 0.00 O ATOM 228 CB ILE B 596 9.084 -6.923 0.223 1.00 0.00 C ATOM 229 CG1 ILE B 596 7.845 -6.401 0.947 1.00 0.00 C ATOM 230 CG2 ILE B 596 9.835 -7.900 1.107 1.00 0.00 C ATOM 231 CD1 ILE B 596 6.686 -6.098 0.026 1.00 0.00 C ATOM 0 H ILE B 596 9.767 -5.015 1.751 1.00 0.00 H new ATOM 0 HA ILE B 596 10.988 -6.172 -0.434 1.00 0.00 H new ATOM 0 HB ILE B 596 8.760 -7.444 -0.678 1.00 0.00 H new ATOM 0 HG12 ILE B 596 7.528 -7.138 1.685 1.00 0.00 H new ATOM 0 HG13 ILE B 596 8.109 -5.496 1.494 1.00 0.00 H new ATOM 0 HG21 ILE B 596 9.169 -8.712 1.399 1.00 0.00 H new ATOM 0 HG22 ILE B 596 10.685 -8.307 0.559 1.00 0.00 H new ATOM 0 HG23 ILE B 596 10.191 -7.384 1.999 1.00 0.00 H new ATOM 0 HD11 ILE B 596 5.842 -5.732 0.611 1.00 0.00 H new ATOM 0 HD12 ILE B 596 6.984 -5.338 -0.696 1.00 0.00 H new ATOM 0 HD13 ILE B 596 6.394 -7.006 -0.503 1.00 0.00 H new ATOM 243 N LEU B 597 8.724 -4.001 -1.235 1.00 0.00 N ATOM 244 CA LEU B 597 8.111 -3.263 -2.325 1.00 0.00 C ATOM 245 C LEU B 597 9.145 -2.588 -3.199 1.00 0.00 C ATOM 246 O LEU B 597 9.513 -3.089 -4.263 1.00 0.00 O ATOM 247 CB LEU B 597 7.165 -2.203 -1.766 1.00 0.00 C ATOM 248 CG LEU B 597 6.803 -1.079 -2.743 1.00 0.00 C ATOM 249 CD1 LEU B 597 6.023 -1.625 -3.925 1.00 0.00 C ATOM 250 CD2 LEU B 597 6.019 0.011 -2.035 1.00 0.00 C ATOM 0 H LEU B 597 8.563 -3.598 -0.312 1.00 0.00 H new ATOM 0 HA LEU B 597 7.561 -3.979 -2.935 1.00 0.00 H new ATOM 0 HB2 LEU B 597 6.246 -2.692 -1.442 1.00 0.00 H new ATOM 0 HB3 LEU B 597 7.621 -1.761 -0.880 1.00 0.00 H new ATOM 0 HG LEU B 597 7.727 -0.643 -3.121 1.00 0.00 H new ATOM 0 HD11 LEU B 597 5.776 -0.810 -4.606 1.00 0.00 H new ATOM 0 HD12 LEU B 597 6.627 -2.365 -4.449 1.00 0.00 H new ATOM 0 HD13 LEU B 597 5.104 -2.092 -3.570 1.00 0.00 H new ATOM 0 HD21 LEU B 597 5.771 0.800 -2.745 1.00 0.00 H new ATOM 0 HD22 LEU B 597 5.101 -0.409 -1.624 1.00 0.00 H new ATOM 0 HD23 LEU B 597 6.621 0.426 -1.227 1.00 0.00 H new ATOM 262 N VAL B 598 9.570 -1.426 -2.752 1.00 0.00 N ATOM 263 CA VAL B 598 10.517 -0.627 -3.480 1.00 0.00 C ATOM 264 C VAL B 598 11.508 0.022 -2.532 1.00 0.00 C ATOM 265 O VAL B 598 12.019 1.111 -2.791 1.00 0.00 O ATOM 266 CB VAL B 598 9.793 0.463 -4.291 1.00 0.00 C ATOM 267 CG1 VAL B 598 8.813 -0.148 -5.285 1.00 0.00 C ATOM 268 CG2 VAL B 598 9.074 1.423 -3.357 1.00 0.00 C ATOM 0 H VAL B 598 9.265 -1.013 -1.871 1.00 0.00 H new ATOM 0 HA VAL B 598 11.056 -1.283 -4.164 1.00 0.00 H new ATOM 0 HB VAL B 598 10.542 1.017 -4.858 1.00 0.00 H new ATOM 0 HG11 VAL B 598 8.317 0.647 -5.843 1.00 0.00 H new ATOM 0 HG12 VAL B 598 9.352 -0.795 -5.977 1.00 0.00 H new ATOM 0 HG13 VAL B 598 8.067 -0.734 -4.747 1.00 0.00 H new ATOM 0 HG21 VAL B 598 8.566 2.189 -3.943 1.00 0.00 H new ATOM 0 HG22 VAL B 598 8.342 0.874 -2.765 1.00 0.00 H new ATOM 0 HG23 VAL B 598 9.798 1.895 -2.693 1.00 0.00 H new ATOM 367 N VAL A 454 -8.241 -5.380 -1.956 1.00 0.00 N ATOM 368 CA VAL A 454 -6.890 -5.004 -2.347 1.00 0.00 C ATOM 369 C VAL A 454 -6.390 -5.899 -3.463 1.00 0.00 C ATOM 370 O VAL A 454 -6.045 -7.059 -3.234 1.00 0.00 O ATOM 371 CB VAL A 454 -5.919 -5.088 -1.158 1.00 0.00 C ATOM 372 CG1 VAL A 454 -4.505 -4.693 -1.573 1.00 0.00 C ATOM 373 CG2 VAL A 454 -6.423 -4.211 -0.030 1.00 0.00 C ATOM 0 HA VAL A 454 -6.928 -3.972 -2.696 1.00 0.00 H new ATOM 0 HB VAL A 454 -5.876 -6.120 -0.810 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -3.840 -4.762 -0.712 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -4.155 -5.365 -2.356 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -4.508 -3.669 -1.948 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -5.734 -4.271 0.813 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -6.488 -3.178 -0.373 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -7.410 -4.552 0.283 1.00 0.00 H new ATOM 383 N THR A 455 -6.362 -5.366 -4.673 1.00 0.00 N ATOM 384 CA THR A 455 -5.915 -6.139 -5.813 1.00 0.00 C ATOM 385 C THR A 455 -4.905 -5.393 -6.658 1.00 0.00 C ATOM 386 O THR A 455 -4.827 -4.167 -6.634 1.00 0.00 O ATOM 387 CB THR A 455 -7.105 -6.545 -6.663 1.00 0.00 C ATOM 388 OG1 THR A 455 -7.967 -5.441 -6.885 1.00 0.00 O ATOM 389 CG2 THR A 455 -7.911 -7.640 -6.013 1.00 0.00 C ATOM 0 H THR A 455 -6.642 -4.409 -4.888 1.00 0.00 H new ATOM 0 HA THR A 455 -5.417 -7.028 -5.425 1.00 0.00 H new ATOM 0 HB THR A 455 -6.699 -6.906 -7.608 1.00 0.00 H new ATOM 0 HG1 THR A 455 -8.726 -5.724 -7.436 1.00 0.00 H new ATOM 0 HG21 THR A 455 -8.753 -7.901 -6.654 1.00 0.00 H new ATOM 0 HG22 THR A 455 -7.281 -8.517 -5.866 1.00 0.00 H new ATOM 0 HG23 THR A 455 -8.283 -7.295 -5.048 1.00 0.00 H new ATOM 397 N GLU A 456 -4.143 -6.163 -7.414 1.00 0.00 N ATOM 398 CA GLU A 456 -3.131 -5.627 -8.296 1.00 0.00 C ATOM 399 C GLU A 456 -3.696 -4.519 -9.171 1.00 0.00 C ATOM 400 O GLU A 456 -3.141 -3.426 -9.242 1.00 0.00 O ATOM 401 CB GLU A 456 -2.598 -6.754 -9.166 1.00 0.00 C ATOM 402 CG GLU A 456 -1.373 -7.439 -8.585 1.00 0.00 C ATOM 403 CD GLU A 456 -0.908 -8.609 -9.429 1.00 0.00 C ATOM 404 OE1 GLU A 456 -0.839 -8.456 -10.667 1.00 0.00 O ATOM 405 OE2 GLU A 456 -0.614 -9.677 -8.854 1.00 0.00 O ATOM 0 H GLU A 456 -4.212 -7.181 -7.431 1.00 0.00 H new ATOM 0 HA GLU A 456 -2.327 -5.199 -7.697 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -3.385 -7.495 -9.310 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -2.350 -6.357 -10.150 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -0.563 -6.715 -8.496 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -1.600 -7.789 -7.578 1.00 0.00 H new ATOM 412 N ASP A 457 -4.795 -4.827 -9.844 1.00 0.00 N ATOM 413 CA ASP A 457 -5.447 -3.875 -10.740 1.00 0.00 C ATOM 414 C ASP A 457 -6.003 -2.664 -9.996 1.00 0.00 C ATOM 415 O ASP A 457 -6.072 -1.565 -10.547 1.00 0.00 O ATOM 416 CB ASP A 457 -6.562 -4.566 -11.522 1.00 0.00 C ATOM 417 CG ASP A 457 -6.306 -4.569 -13.017 1.00 0.00 C ATOM 418 OD1 ASP A 457 -5.617 -5.493 -13.499 1.00 0.00 O ATOM 419 OD2 ASP A 457 -6.795 -3.649 -13.705 1.00 0.00 O ATOM 0 H ASP A 457 -5.259 -5.734 -9.788 1.00 0.00 H new ATOM 0 HA ASP A 457 -4.687 -3.511 -11.431 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -6.664 -5.593 -11.172 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -7.508 -4.064 -11.320 1.00 0.00 H new ATOM 424 N ALA A 458 -6.407 -2.866 -8.752 1.00 0.00 N ATOM 425 CA ALA A 458 -6.966 -1.784 -7.947 1.00 0.00 C ATOM 426 C ALA A 458 -5.900 -0.774 -7.556 1.00 0.00 C ATOM 427 O ALA A 458 -6.026 0.414 -7.840 1.00 0.00 O ATOM 428 CB ALA A 458 -7.644 -2.333 -6.703 1.00 0.00 C ATOM 0 H ALA A 458 -6.360 -3.767 -8.276 1.00 0.00 H new ATOM 0 HA ALA A 458 -7.710 -1.274 -8.559 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -8.053 -1.509 -6.118 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -8.450 -3.006 -6.995 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -6.916 -2.878 -6.102 1.00 0.00 H new ATOM 434 N VAL A 459 -4.849 -1.245 -6.896 1.00 0.00 N ATOM 435 CA VAL A 459 -3.774 -0.360 -6.466 1.00 0.00 C ATOM 436 C VAL A 459 -3.309 0.537 -7.606 1.00 0.00 C ATOM 437 O VAL A 459 -2.822 1.640 -7.377 1.00 0.00 O ATOM 438 CB VAL A 459 -2.581 -1.145 -5.892 1.00 0.00 C ATOM 439 CG1 VAL A 459 -1.574 -0.196 -5.264 1.00 0.00 C ATOM 440 CG2 VAL A 459 -3.063 -2.162 -4.870 1.00 0.00 C ATOM 0 H VAL A 459 -4.718 -2.226 -6.649 1.00 0.00 H new ATOM 0 HA VAL A 459 -4.180 0.266 -5.672 1.00 0.00 H new ATOM 0 HB VAL A 459 -2.090 -1.677 -6.707 1.00 0.00 H new ATOM 0 HG11 VAL A 459 -0.737 -0.767 -4.863 1.00 0.00 H new ATOM 0 HG12 VAL A 459 -1.210 0.500 -6.020 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -2.052 0.361 -4.458 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -2.209 -2.710 -4.472 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -3.574 -1.647 -4.057 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -3.751 -2.859 -5.347 1.00 0.00 H new ATOM 450 N ARG A 460 -3.487 0.071 -8.838 1.00 0.00 N ATOM 451 CA ARG A 460 -3.109 0.856 -10.010 1.00 0.00 C ATOM 452 C ARG A 460 -3.916 2.148 -10.045 1.00 0.00 C ATOM 453 O ARG A 460 -3.363 3.237 -10.193 1.00 0.00 O ATOM 454 CB ARG A 460 -3.347 0.069 -11.303 1.00 0.00 C ATOM 455 CG ARG A 460 -2.906 -1.382 -11.233 1.00 0.00 C ATOM 456 CD ARG A 460 -1.463 -1.511 -10.766 1.00 0.00 C ATOM 457 NE ARG A 460 -0.594 -2.043 -11.814 1.00 0.00 N ATOM 458 CZ ARG A 460 -0.513 -3.334 -12.125 1.00 0.00 C ATOM 459 NH1 ARG A 460 -1.244 -4.229 -11.473 1.00 0.00 N ATOM 460 NH2 ARG A 460 0.304 -3.732 -13.092 1.00 0.00 N ATOM 0 H ARG A 460 -3.889 -0.842 -9.051 1.00 0.00 H new ATOM 0 HA ARG A 460 -2.046 1.085 -9.938 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -4.409 0.104 -11.547 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -2.816 0.560 -12.118 1.00 0.00 H new ATOM 0 HG2 ARG A 460 -3.559 -1.928 -10.552 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -3.013 -1.842 -12.215 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -1.095 -0.534 -10.451 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -1.421 -2.164 -9.894 1.00 0.00 H new ATOM 0 HE ARG A 460 -0.016 -1.386 -12.338 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -1.873 -3.929 -10.728 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -1.177 -5.217 -11.717 1.00 0.00 H new ATOM 0 HH21 ARG A 460 0.869 -3.048 -13.596 1.00 0.00 H new ATOM 0 HH22 ARG A 460 0.367 -4.722 -13.331 1.00 0.00 H new ATOM 474 N ARG A 461 -5.233 2.015 -9.895 1.00 0.00 N ATOM 475 CA ARG A 461 -6.125 3.167 -9.894 1.00 0.00 C ATOM 476 C ARG A 461 -5.729 4.145 -8.793 1.00 0.00 C ATOM 477 O ARG A 461 -5.899 5.356 -8.932 1.00 0.00 O ATOM 478 CB ARG A 461 -7.580 2.714 -9.731 1.00 0.00 C ATOM 479 CG ARG A 461 -7.901 2.211 -8.339 1.00 0.00 C ATOM 480 CD ARG A 461 -9.152 2.857 -7.774 1.00 0.00 C ATOM 481 NE ARG A 461 -10.173 1.867 -7.438 1.00 0.00 N ATOM 482 CZ ARG A 461 -11.455 2.165 -7.233 1.00 0.00 C ATOM 483 NH1 ARG A 461 -11.875 3.420 -7.328 1.00 0.00 N ATOM 484 NH2 ARG A 461 -12.318 1.204 -6.932 1.00 0.00 N ATOM 0 H ARG A 461 -5.704 1.118 -9.773 1.00 0.00 H new ATOM 0 HA ARG A 461 -6.035 3.681 -10.851 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -8.241 3.547 -9.970 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -7.790 1.924 -10.452 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -8.033 1.129 -8.366 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -7.059 2.413 -7.678 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -8.894 3.429 -6.883 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -9.556 3.563 -8.500 1.00 0.00 H new ATOM 0 HE ARG A 461 -9.887 0.891 -7.356 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -11.215 4.163 -7.559 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -12.858 3.642 -7.170 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -12.000 0.238 -6.858 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -13.300 1.431 -6.775 1.00 0.00 H new ATOM 498 N TYR A 462 -5.179 3.611 -7.706 1.00 0.00 N ATOM 499 CA TYR A 462 -4.734 4.438 -6.592 1.00 0.00 C ATOM 500 C TYR A 462 -3.590 5.336 -7.043 1.00 0.00 C ATOM 501 O TYR A 462 -3.537 6.518 -6.706 1.00 0.00 O ATOM 502 CB TYR A 462 -4.271 3.563 -5.420 1.00 0.00 C ATOM 503 CG TYR A 462 -5.394 2.913 -4.635 1.00 0.00 C ATOM 504 CD1 TYR A 462 -6.708 2.943 -5.092 1.00 0.00 C ATOM 505 CD2 TYR A 462 -5.135 2.272 -3.428 1.00 0.00 C ATOM 506 CE1 TYR A 462 -7.728 2.355 -4.369 1.00 0.00 C ATOM 507 CE2 TYR A 462 -6.151 1.684 -2.703 1.00 0.00 C ATOM 508 CZ TYR A 462 -7.445 1.728 -3.176 1.00 0.00 C ATOM 509 OH TYR A 462 -8.460 1.145 -2.453 1.00 0.00 O ATOM 0 H TYR A 462 -5.032 2.610 -7.574 1.00 0.00 H new ATOM 0 HA TYR A 462 -5.571 5.052 -6.260 1.00 0.00 H new ATOM 0 HB2 TYR A 462 -3.614 2.782 -5.804 1.00 0.00 H new ATOM 0 HB3 TYR A 462 -3.677 4.174 -4.740 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -6.934 3.434 -6.027 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -4.123 2.234 -3.053 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -8.743 2.387 -4.738 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -5.933 1.191 -1.767 1.00 0.00 H new ATOM 0 HH TYR A 462 -8.528 0.197 -2.691 1.00 0.00 H new ATOM 519 N LEU A 463 -2.676 4.753 -7.811 1.00 0.00 N ATOM 520 CA LEU A 463 -1.519 5.465 -8.326 1.00 0.00 C ATOM 521 C LEU A 463 -1.916 6.449 -9.415 1.00 0.00 C ATOM 522 O LEU A 463 -1.660 7.649 -9.306 1.00 0.00 O ATOM 523 CB LEU A 463 -0.511 4.466 -8.888 1.00 0.00 C ATOM 524 CG LEU A 463 -0.490 3.094 -8.213 1.00 0.00 C ATOM 525 CD1 LEU A 463 0.714 2.293 -8.677 1.00 0.00 C ATOM 526 CD2 LEU A 463 -0.486 3.239 -6.696 1.00 0.00 C ATOM 0 H LEU A 463 -2.719 3.774 -8.092 1.00 0.00 H new ATOM 0 HA LEU A 463 -1.072 6.025 -7.504 1.00 0.00 H new ATOM 0 HB2 LEU A 463 -0.719 4.325 -9.949 1.00 0.00 H new ATOM 0 HB3 LEU A 463 0.485 4.902 -8.814 1.00 0.00 H new ATOM 0 HG LEU A 463 -1.394 2.556 -8.500 1.00 0.00 H new ATOM 0 HD11 LEU A 463 0.714 1.319 -8.187 1.00 0.00 H new ATOM 0 HD12 LEU A 463 0.665 2.156 -9.757 1.00 0.00 H new ATOM 0 HD13 LEU A 463 1.628 2.828 -8.420 1.00 0.00 H new ATOM 0 HD21 LEU A 463 -0.471 2.251 -6.236 1.00 0.00 H new ATOM 0 HD22 LEU A 463 0.398 3.797 -6.386 1.00 0.00 H new ATOM 0 HD23 LEU A 463 -1.382 3.773 -6.379 1.00 0.00 H new ATOM 538 N THR A 464 -2.544 5.933 -10.468 1.00 0.00 N ATOM 539 CA THR A 464 -2.980 6.761 -11.582 1.00 0.00 C ATOM 540 C THR A 464 -3.701 8.007 -11.081 1.00 0.00 C ATOM 541 O THR A 464 -3.721 9.040 -11.752 1.00 0.00 O ATOM 542 CB THR A 464 -3.894 5.959 -12.512 1.00 0.00 C ATOM 543 OG1 THR A 464 -4.348 4.779 -11.873 1.00 0.00 O ATOM 544 CG2 THR A 464 -3.221 5.552 -13.804 1.00 0.00 C ATOM 0 H THR A 464 -2.762 4.942 -10.571 1.00 0.00 H new ATOM 0 HA THR A 464 -2.098 7.076 -12.139 1.00 0.00 H new ATOM 0 HB THR A 464 -4.725 6.625 -12.747 1.00 0.00 H new ATOM 0 HG1 THR A 464 -3.606 4.144 -11.792 1.00 0.00 H new ATOM 0 HG21 THR A 464 -3.923 4.987 -14.417 1.00 0.00 H new ATOM 0 HG22 THR A 464 -2.902 6.443 -14.345 1.00 0.00 H new ATOM 0 HG23 THR A 464 -2.352 4.932 -13.582 1.00 0.00 H new ATOM 552 N ARG A 465 -4.286 7.900 -9.897 1.00 0.00 N ATOM 553 CA ARG A 465 -5.001 9.008 -9.301 1.00 0.00 C ATOM 554 C ARG A 465 -4.081 9.841 -8.409 1.00 0.00 C ATOM 555 O ARG A 465 -4.025 11.065 -8.535 1.00 0.00 O ATOM 556 CB ARG A 465 -6.196 8.500 -8.493 1.00 0.00 C ATOM 557 CG ARG A 465 -7.474 8.381 -9.306 1.00 0.00 C ATOM 558 CD ARG A 465 -8.497 7.498 -8.611 1.00 0.00 C ATOM 559 NE ARG A 465 -9.825 7.621 -9.209 1.00 0.00 N ATOM 560 CZ ARG A 465 -10.942 7.189 -8.629 1.00 0.00 C ATOM 561 NH1 ARG A 465 -10.897 6.606 -7.439 1.00 0.00 N ATOM 562 NH2 ARG A 465 -12.108 7.342 -9.242 1.00 0.00 N ATOM 0 H ARG A 465 -4.277 7.051 -9.332 1.00 0.00 H new ATOM 0 HA ARG A 465 -5.364 9.645 -10.108 1.00 0.00 H new ATOM 0 HB2 ARG A 465 -5.951 7.525 -8.072 1.00 0.00 H new ATOM 0 HB3 ARG A 465 -6.370 9.174 -7.655 1.00 0.00 H new ATOM 0 HG2 ARG A 465 -7.897 9.372 -9.467 1.00 0.00 H new ATOM 0 HG3 ARG A 465 -7.244 7.969 -10.289 1.00 0.00 H new ATOM 0 HD2 ARG A 465 -8.172 6.459 -8.661 1.00 0.00 H new ATOM 0 HD3 ARG A 465 -8.549 7.765 -7.556 1.00 0.00 H new ATOM 0 HE ARG A 465 -9.900 8.064 -10.125 1.00 0.00 H new ATOM 0 HH11 ARG A 465 -10.003 6.487 -6.963 1.00 0.00 H new ATOM 0 HH12 ARG A 465 -11.757 6.277 -6.999 1.00 0.00 H new ATOM 0 HH21 ARG A 465 -12.148 7.790 -10.157 1.00 0.00 H new ATOM 0 HH22 ARG A 465 -12.965 7.011 -8.798 1.00 0.00 H new ATOM 576 N LYS A 466 -3.365 9.175 -7.501 1.00 0.00 N ATOM 577 CA LYS A 466 -2.460 9.858 -6.594 1.00 0.00 C ATOM 578 C LYS A 466 -1.556 8.861 -5.865 1.00 0.00 C ATOM 579 O LYS A 466 -2.026 7.846 -5.356 1.00 0.00 O ATOM 580 CB LYS A 466 -3.254 10.664 -5.588 1.00 0.00 C ATOM 581 CG LYS A 466 -2.406 11.617 -4.775 1.00 0.00 C ATOM 582 CD LYS A 466 -2.351 12.994 -5.414 1.00 0.00 C ATOM 583 CE LYS A 466 -1.117 13.155 -6.289 1.00 0.00 C ATOM 584 NZ LYS A 466 -1.200 14.366 -7.150 1.00 0.00 N ATOM 0 H LYS A 466 -3.399 8.163 -7.379 1.00 0.00 H new ATOM 0 HA LYS A 466 -1.828 10.526 -7.179 1.00 0.00 H new ATOM 0 HB2 LYS A 466 -4.022 11.231 -6.114 1.00 0.00 H new ATOM 0 HB3 LYS A 466 -3.769 9.981 -4.912 1.00 0.00 H new ATOM 0 HG2 LYS A 466 -2.812 11.698 -3.767 1.00 0.00 H new ATOM 0 HG3 LYS A 466 -1.396 11.218 -4.681 1.00 0.00 H new ATOM 0 HD2 LYS A 466 -3.247 13.154 -6.014 1.00 0.00 H new ATOM 0 HD3 LYS A 466 -2.348 13.757 -4.636 1.00 0.00 H new ATOM 0 HE2 LYS A 466 -0.231 13.219 -5.658 1.00 0.00 H new ATOM 0 HE3 LYS A 466 -0.999 12.271 -6.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 -0.340 14.439 -7.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 -2.031 14.294 -7.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 -1.287 15.212 -6.552 1.00 0.00 H new ATOM 598 N PRO A 467 -0.238 9.133 -5.810 1.00 0.00 N ATOM 599 CA PRO A 467 0.719 8.245 -5.146 1.00 0.00 C ATOM 600 C PRO A 467 0.385 7.994 -3.681 1.00 0.00 C ATOM 601 O PRO A 467 -0.150 8.860 -2.991 1.00 0.00 O ATOM 602 CB PRO A 467 2.066 8.966 -5.293 1.00 0.00 C ATOM 603 CG PRO A 467 1.874 9.935 -6.408 1.00 0.00 C ATOM 604 CD PRO A 467 0.418 10.313 -6.394 1.00 0.00 C ATOM 0 HA PRO A 467 0.714 7.252 -5.596 1.00 0.00 H new ATOM 0 HB2 PRO A 467 2.341 9.477 -4.371 1.00 0.00 H new ATOM 0 HB3 PRO A 467 2.867 8.261 -5.518 1.00 0.00 H new ATOM 0 HG2 PRO A 467 2.505 10.813 -6.272 1.00 0.00 H new ATOM 0 HG3 PRO A 467 2.150 9.488 -7.363 1.00 0.00 H new ATOM 0 HD2 PRO A 467 0.241 11.207 -5.796 1.00 0.00 H new ATOM 0 HD3 PRO A 467 0.048 10.522 -7.398 1.00 0.00 H new ATOM 612 N MET A 468 0.704 6.786 -3.225 1.00 0.00 N ATOM 613 CA MET A 468 0.445 6.376 -1.848 1.00 0.00 C ATOM 614 C MET A 468 1.697 5.797 -1.208 1.00 0.00 C ATOM 615 O MET A 468 2.723 5.614 -1.862 1.00 0.00 O ATOM 616 CB MET A 468 -0.644 5.296 -1.811 1.00 0.00 C ATOM 617 CG MET A 468 -0.386 4.156 -2.782 1.00 0.00 C ATOM 618 SD MET A 468 0.894 3.030 -2.198 1.00 0.00 S ATOM 619 CE MET A 468 1.901 2.864 -3.667 1.00 0.00 C ATOM 0 H MET A 468 1.147 6.067 -3.796 1.00 0.00 H new ATOM 0 HA MET A 468 0.125 7.262 -1.299 1.00 0.00 H new ATOM 0 HB2 MET A 468 -0.715 4.895 -0.800 1.00 0.00 H new ATOM 0 HB3 MET A 468 -1.607 5.751 -2.042 1.00 0.00 H new ATOM 0 HG2 MET A 468 -1.310 3.600 -2.939 1.00 0.00 H new ATOM 0 HG3 MET A 468 -0.092 4.565 -3.748 1.00 0.00 H new ATOM 0 HE1 MET A 468 2.477 1.941 -3.611 1.00 0.00 H new ATOM 0 HE2 MET A 468 1.259 2.838 -4.547 1.00 0.00 H new ATOM 0 HE3 MET A 468 2.581 3.713 -3.740 1.00 0.00 H new ATOM 629 N THR A 469 1.568 5.453 0.063 1.00 0.00 N ATOM 630 CA THR A 469 2.643 4.825 0.808 1.00 0.00 C ATOM 631 C THR A 469 2.183 3.417 1.178 1.00 0.00 C ATOM 632 O THR A 469 0.979 3.160 1.219 1.00 0.00 O ATOM 633 CB THR A 469 2.987 5.621 2.075 1.00 0.00 C ATOM 634 OG1 THR A 469 2.170 5.220 3.157 1.00 0.00 O ATOM 635 CG2 THR A 469 2.834 7.119 1.922 1.00 0.00 C ATOM 0 H THR A 469 0.717 5.601 0.605 1.00 0.00 H new ATOM 0 HA THR A 469 3.545 4.793 0.197 1.00 0.00 H new ATOM 0 HB THR A 469 4.038 5.403 2.262 1.00 0.00 H new ATOM 0 HG1 THR A 469 2.292 5.840 3.906 1.00 0.00 H new ATOM 0 HG21 THR A 469 3.096 7.609 2.860 1.00 0.00 H new ATOM 0 HG22 THR A 469 3.495 7.473 1.131 1.00 0.00 H new ATOM 0 HG23 THR A 469 1.801 7.355 1.665 1.00 0.00 H new ATOM 643 N THR A 470 3.107 2.502 1.441 1.00 0.00 N ATOM 644 CA THR A 470 2.712 1.139 1.791 1.00 0.00 C ATOM 645 C THR A 470 1.752 1.145 2.959 1.00 0.00 C ATOM 646 O THR A 470 0.773 0.398 2.980 1.00 0.00 O ATOM 647 CB THR A 470 3.930 0.268 2.101 1.00 0.00 C ATOM 648 OG1 THR A 470 5.010 1.053 2.567 1.00 0.00 O ATOM 649 CG2 THR A 470 4.413 -0.517 0.905 1.00 0.00 C ATOM 0 H THR A 470 4.113 2.670 1.421 1.00 0.00 H new ATOM 0 HA THR A 470 2.205 0.708 0.927 1.00 0.00 H new ATOM 0 HB THR A 470 3.598 -0.430 2.869 1.00 0.00 H new ATOM 0 HG1 THR A 470 5.364 0.665 3.394 1.00 0.00 H new ATOM 0 HG21 THR A 470 5.279 -1.115 1.188 1.00 0.00 H new ATOM 0 HG22 THR A 470 3.617 -1.174 0.555 1.00 0.00 H new ATOM 0 HG23 THR A 470 4.693 0.171 0.107 1.00 0.00 H new ATOM 657 N LYS A 471 2.015 2.013 3.912 1.00 0.00 N ATOM 658 CA LYS A 471 1.149 2.141 5.064 1.00 0.00 C ATOM 659 C LYS A 471 -0.172 2.742 4.622 1.00 0.00 C ATOM 660 O LYS A 471 -1.227 2.127 4.758 1.00 0.00 O ATOM 661 CB LYS A 471 1.794 3.026 6.131 1.00 0.00 C ATOM 662 CG LYS A 471 3.282 2.776 6.313 1.00 0.00 C ATOM 663 CD LYS A 471 4.099 4.002 5.944 1.00 0.00 C ATOM 664 CE LYS A 471 5.415 3.617 5.288 1.00 0.00 C ATOM 665 NZ LYS A 471 5.245 3.290 3.846 1.00 0.00 N ATOM 0 H LYS A 471 2.820 2.639 3.912 1.00 0.00 H new ATOM 0 HA LYS A 471 0.983 1.155 5.497 1.00 0.00 H new ATOM 0 HB2 LYS A 471 1.640 4.072 5.865 1.00 0.00 H new ATOM 0 HB3 LYS A 471 1.288 2.861 7.082 1.00 0.00 H new ATOM 0 HG2 LYS A 471 3.482 2.502 7.349 1.00 0.00 H new ATOM 0 HG3 LYS A 471 3.589 1.933 5.695 1.00 0.00 H new ATOM 0 HD2 LYS A 471 3.524 4.633 5.266 1.00 0.00 H new ATOM 0 HD3 LYS A 471 4.296 4.592 6.839 1.00 0.00 H new ATOM 0 HE2 LYS A 471 6.126 4.437 5.392 1.00 0.00 H new ATOM 0 HE3 LYS A 471 5.841 2.758 5.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 6.143 3.447 3.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 4.963 2.294 3.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 4.510 3.900 3.436 1.00 0.00 H new ATOM 679 N ASP A 472 -0.094 3.948 4.075 1.00 0.00 N ATOM 680 CA ASP A 472 -1.268 4.659 3.598 1.00 0.00 C ATOM 681 C ASP A 472 -2.099 3.817 2.628 1.00 0.00 C ATOM 682 O ASP A 472 -3.299 4.052 2.483 1.00 0.00 O ATOM 683 CB ASP A 472 -0.849 5.966 2.924 1.00 0.00 C ATOM 684 CG ASP A 472 -2.035 6.787 2.457 1.00 0.00 C ATOM 685 OD1 ASP A 472 -2.686 6.382 1.470 1.00 0.00 O ATOM 686 OD2 ASP A 472 -2.315 7.833 3.080 1.00 0.00 O ATOM 0 H ASP A 472 0.781 4.457 3.951 1.00 0.00 H new ATOM 0 HA ASP A 472 -1.893 4.874 4.465 1.00 0.00 H new ATOM 0 HB2 ASP A 472 -0.255 6.556 3.622 1.00 0.00 H new ATOM 0 HB3 ASP A 472 -0.209 5.742 2.071 1.00 0.00 H new ATOM 691 N LEU A 473 -1.477 2.846 1.952 1.00 0.00 N ATOM 692 CA LEU A 473 -2.222 2.022 1.005 1.00 0.00 C ATOM 693 C LEU A 473 -3.197 1.094 1.718 1.00 0.00 C ATOM 694 O LEU A 473 -4.319 0.878 1.262 1.00 0.00 O ATOM 695 CB LEU A 473 -1.287 1.212 0.114 1.00 0.00 C ATOM 696 CG LEU A 473 -1.700 1.170 -1.356 1.00 0.00 C ATOM 697 CD1 LEU A 473 -0.644 0.472 -2.199 1.00 0.00 C ATOM 698 CD2 LEU A 473 -3.047 0.478 -1.508 1.00 0.00 C ATOM 0 H LEU A 473 -0.487 2.618 2.041 1.00 0.00 H new ATOM 0 HA LEU A 473 -2.794 2.703 0.375 1.00 0.00 H new ATOM 0 HB2 LEU A 473 -0.283 1.630 0.185 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -1.235 0.192 0.494 1.00 0.00 H new ATOM 0 HG LEU A 473 -1.792 2.196 -1.713 1.00 0.00 H new ATOM 0 HD11 LEU A 473 -0.963 0.456 -3.241 1.00 0.00 H new ATOM 0 HD12 LEU A 473 0.301 1.009 -2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 473 -0.512 -0.550 -1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 473 -3.328 0.456 -2.561 1.00 0.00 H new ATOM 0 HD22 LEU A 473 -2.977 -0.542 -1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 473 -3.802 1.024 -0.942 1.00 0.00 H new ATOM 710 N LEU A 474 -2.758 0.538 2.828 1.00 0.00 N ATOM 711 CA LEU A 474 -3.593 -0.380 3.599 1.00 0.00 C ATOM 712 C LEU A 474 -4.528 0.351 4.565 1.00 0.00 C ATOM 713 O LEU A 474 -5.572 -0.182 4.942 1.00 0.00 O ATOM 714 CB LEU A 474 -2.765 -1.419 4.364 1.00 0.00 C ATOM 715 CG LEU A 474 -1.440 -0.929 4.933 1.00 0.00 C ATOM 716 CD1 LEU A 474 -1.665 -0.151 6.220 1.00 0.00 C ATOM 717 CD2 LEU A 474 -0.500 -2.103 5.172 1.00 0.00 C ATOM 0 H LEU A 474 -1.831 0.701 3.222 1.00 0.00 H new ATOM 0 HA LEU A 474 -4.204 -0.903 2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 474 -3.370 -1.804 5.185 1.00 0.00 H new ATOM 0 HB3 LEU A 474 -2.563 -2.257 3.697 1.00 0.00 H new ATOM 0 HG LEU A 474 -0.978 -0.259 4.207 1.00 0.00 H new ATOM 0 HD11 LEU A 474 -0.707 0.191 6.611 1.00 0.00 H new ATOM 0 HD12 LEU A 474 -2.302 0.710 6.018 1.00 0.00 H new ATOM 0 HD13 LEU A 474 -2.148 -0.795 6.955 1.00 0.00 H new ATOM 0 HD21 LEU A 474 0.443 -1.737 5.579 1.00 0.00 H new ATOM 0 HD22 LEU A 474 -0.956 -2.796 5.879 1.00 0.00 H new ATOM 0 HD23 LEU A 474 -0.313 -2.617 4.229 1.00 0.00 H new ATOM 729 N LYS A 475 -4.150 1.557 4.984 1.00 0.00 N ATOM 730 CA LYS A 475 -4.958 2.323 5.924 1.00 0.00 C ATOM 731 C LYS A 475 -6.371 2.566 5.401 1.00 0.00 C ATOM 732 O LYS A 475 -7.342 2.412 6.143 1.00 0.00 O ATOM 733 CB LYS A 475 -4.266 3.644 6.245 1.00 0.00 C ATOM 734 CG LYS A 475 -2.840 3.453 6.732 1.00 0.00 C ATOM 735 CD LYS A 475 -2.790 2.570 7.966 1.00 0.00 C ATOM 736 CE LYS A 475 -1.425 2.618 8.632 1.00 0.00 C ATOM 737 NZ LYS A 475 -1.255 1.530 9.635 1.00 0.00 N ATOM 0 H LYS A 475 -3.292 2.022 4.687 1.00 0.00 H new ATOM 0 HA LYS A 475 -5.055 1.736 6.837 1.00 0.00 H new ATOM 0 HB2 LYS A 475 -4.261 4.273 5.355 1.00 0.00 H new ATOM 0 HB3 LYS A 475 -4.838 4.174 7.006 1.00 0.00 H new ATOM 0 HG2 LYS A 475 -2.240 3.007 5.939 1.00 0.00 H new ATOM 0 HG3 LYS A 475 -2.398 4.423 6.959 1.00 0.00 H new ATOM 0 HD2 LYS A 475 -3.553 2.891 8.675 1.00 0.00 H new ATOM 0 HD3 LYS A 475 -3.024 1.542 7.689 1.00 0.00 H new ATOM 0 HE2 LYS A 475 -0.648 2.535 7.872 1.00 0.00 H new ATOM 0 HE3 LYS A 475 -1.293 3.584 9.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 -0.396 1.705 10.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 -2.081 1.507 10.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 -1.168 0.617 9.145 1.00 0.00 H new ATOM 751 N LYS A 476 -6.497 2.943 4.132 1.00 0.00 N ATOM 752 CA LYS A 476 -7.817 3.192 3.562 1.00 0.00 C ATOM 753 C LYS A 476 -8.548 1.877 3.306 1.00 0.00 C ATOM 754 O LYS A 476 -9.728 1.746 3.631 1.00 0.00 O ATOM 755 CB LYS A 476 -7.730 4.038 2.285 1.00 0.00 C ATOM 756 CG LYS A 476 -7.472 3.240 1.018 1.00 0.00 C ATOM 757 CD LYS A 476 -6.442 3.914 0.146 1.00 0.00 C ATOM 758 CE LYS A 476 -5.189 3.080 0.077 1.00 0.00 C ATOM 759 NZ LYS A 476 -4.232 3.611 -0.934 1.00 0.00 N ATOM 0 H LYS A 476 -5.717 3.081 3.489 1.00 0.00 H new ATOM 0 HA LYS A 476 -8.392 3.766 4.289 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -8.661 4.592 2.167 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -6.934 4.773 2.405 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -7.131 2.238 1.280 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -8.403 3.125 0.462 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -6.844 4.062 -0.856 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -6.208 4.901 0.544 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -4.711 3.059 1.056 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -5.449 2.051 -0.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 -3.319 3.122 -0.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -4.612 3.452 -1.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -4.096 4.631 -0.781 1.00 0.00 H new ATOM 773 N PHE A 477 -7.839 0.888 2.757 1.00 0.00 N ATOM 774 CA PHE A 477 -8.429 -0.413 2.512 1.00 0.00 C ATOM 775 C PHE A 477 -8.907 -0.980 3.829 1.00 0.00 C ATOM 776 O PHE A 477 -10.093 -1.237 4.033 1.00 0.00 O ATOM 777 CB PHE A 477 -7.387 -1.349 1.911 1.00 0.00 C ATOM 778 CG PHE A 477 -7.325 -1.320 0.417 1.00 0.00 C ATOM 779 CD1 PHE A 477 -8.467 -1.490 -0.345 1.00 0.00 C ATOM 780 CD2 PHE A 477 -6.117 -1.125 -0.224 1.00 0.00 C ATOM 781 CE1 PHE A 477 -8.403 -1.467 -1.723 1.00 0.00 C ATOM 782 CE2 PHE A 477 -6.046 -1.102 -1.599 1.00 0.00 C ATOM 783 CZ PHE A 477 -7.190 -1.273 -2.352 1.00 0.00 C ATOM 0 H PHE A 477 -6.861 0.970 2.478 1.00 0.00 H new ATOM 0 HA PHE A 477 -9.263 -0.314 1.817 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -6.407 -1.087 2.309 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -7.600 -2.368 2.235 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -9.418 -1.642 0.144 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -5.218 -0.989 0.360 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -9.301 -1.601 -2.308 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -5.095 -0.950 -2.088 1.00 0.00 H new ATOM 0 HZ PHE A 477 -7.136 -1.255 -3.431 1.00 0.00 H new ATOM 889 N LEU A 484 -10.450 -7.542 5.458 1.00 0.00 N ATOM 890 CA LEU A 484 -9.140 -8.150 5.599 1.00 0.00 C ATOM 891 C LEU A 484 -8.410 -7.604 6.822 1.00 0.00 C ATOM 892 O LEU A 484 -8.196 -6.400 6.939 1.00 0.00 O ATOM 893 CB LEU A 484 -8.307 -7.913 4.336 1.00 0.00 C ATOM 894 CG LEU A 484 -7.843 -9.180 3.611 1.00 0.00 C ATOM 895 CD1 LEU A 484 -8.996 -10.162 3.452 1.00 0.00 C ATOM 896 CD2 LEU A 484 -7.252 -8.828 2.255 1.00 0.00 C ATOM 0 HA LEU A 484 -9.278 -9.222 5.737 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -8.893 -7.311 3.642 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -7.429 -7.326 4.605 1.00 0.00 H new ATOM 0 HG LEU A 484 -7.070 -9.657 4.213 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -8.645 -11.055 2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -9.377 -10.438 4.435 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -9.793 -9.697 2.872 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -6.927 -9.739 1.752 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -8.007 -8.328 1.648 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -6.398 -8.164 2.391 1.00 0.00 H new ATOM 908 N SER A 485 -8.032 -8.504 7.727 1.00 0.00 N ATOM 909 CA SER A 485 -7.324 -8.132 8.953 1.00 0.00 C ATOM 910 C SER A 485 -6.296 -7.032 8.707 1.00 0.00 C ATOM 911 O SER A 485 -5.771 -6.893 7.602 1.00 0.00 O ATOM 912 CB SER A 485 -6.622 -9.352 9.540 1.00 0.00 C ATOM 913 OG SER A 485 -7.023 -9.577 10.881 1.00 0.00 O ATOM 0 H SER A 485 -8.205 -9.505 7.634 1.00 0.00 H new ATOM 0 HA SER A 485 -8.067 -7.752 9.654 1.00 0.00 H new ATOM 0 HB2 SER A 485 -6.849 -10.231 8.937 1.00 0.00 H new ATOM 0 HB3 SER A 485 -5.542 -9.208 9.500 1.00 0.00 H new ATOM 0 HG SER A 485 -6.560 -10.366 11.233 1.00 0.00 H new ATOM 919 N SER A 486 -6.003 -6.262 9.749 1.00 0.00 N ATOM 920 CA SER A 486 -5.025 -5.187 9.647 1.00 0.00 C ATOM 921 C SER A 486 -3.659 -5.750 9.275 1.00 0.00 C ATOM 922 O SER A 486 -2.832 -5.064 8.676 1.00 0.00 O ATOM 923 CB SER A 486 -4.934 -4.419 10.967 1.00 0.00 C ATOM 924 OG SER A 486 -6.157 -4.483 11.680 1.00 0.00 O ATOM 0 H SER A 486 -6.428 -6.362 10.671 1.00 0.00 H new ATOM 0 HA SER A 486 -5.348 -4.500 8.865 1.00 0.00 H new ATOM 0 HB2 SER A 486 -4.132 -4.833 11.578 1.00 0.00 H new ATOM 0 HB3 SER A 486 -4.679 -3.378 10.769 1.00 0.00 H new ATOM 0 HG SER A 486 -6.139 -5.247 12.293 1.00 0.00 H new ATOM 930 N GLU A 487 -3.439 -7.012 9.629 1.00 0.00 N ATOM 931 CA GLU A 487 -2.188 -7.689 9.334 1.00 0.00 C ATOM 932 C GLU A 487 -2.254 -8.351 7.969 1.00 0.00 C ATOM 933 O GLU A 487 -1.334 -8.235 7.159 1.00 0.00 O ATOM 934 CB GLU A 487 -1.872 -8.733 10.408 1.00 0.00 C ATOM 935 CG GLU A 487 -2.341 -8.342 11.801 1.00 0.00 C ATOM 936 CD GLU A 487 -1.927 -9.345 12.859 1.00 0.00 C ATOM 937 OE1 GLU A 487 -2.395 -10.501 12.796 1.00 0.00 O ATOM 938 OE2 GLU A 487 -1.135 -8.975 13.752 1.00 0.00 O ATOM 0 H GLU A 487 -4.119 -7.588 10.125 1.00 0.00 H new ATOM 0 HA GLU A 487 -1.391 -6.945 9.327 1.00 0.00 H new ATOM 0 HB2 GLU A 487 -2.337 -9.679 10.130 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -0.795 -8.902 10.431 1.00 0.00 H new ATOM 0 HG2 GLU A 487 -1.935 -7.363 12.055 1.00 0.00 H new ATOM 0 HG3 GLU A 487 -3.427 -8.247 11.801 1.00 0.00 H new ATOM 945 N GLN A 488 -3.357 -9.038 7.721 1.00 0.00 N ATOM 946 CA GLN A 488 -3.566 -9.715 6.452 1.00 0.00 C ATOM 947 C GLN A 488 -3.622 -8.696 5.324 1.00 0.00 C ATOM 948 O GLN A 488 -3.051 -8.907 4.254 1.00 0.00 O ATOM 949 CB GLN A 488 -4.850 -10.544 6.485 1.00 0.00 C ATOM 950 CG GLN A 488 -4.605 -12.027 6.706 1.00 0.00 C ATOM 951 CD GLN A 488 -5.637 -12.660 7.618 1.00 0.00 C ATOM 952 OE1 GLN A 488 -5.299 -13.259 8.638 1.00 0.00 O ATOM 953 NE2 GLN A 488 -6.908 -12.528 7.253 1.00 0.00 N ATOM 0 H GLN A 488 -4.124 -9.142 8.385 1.00 0.00 H new ATOM 0 HA GLN A 488 -2.730 -10.392 6.277 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -5.496 -10.168 7.278 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -5.386 -10.408 5.546 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -4.613 -12.540 5.744 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -3.613 -12.167 7.134 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -7.143 -12.023 6.399 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -7.648 -12.932 7.827 1.00 0.00 H new ATOM 962 N THR A 489 -4.296 -7.574 5.579 1.00 0.00 N ATOM 963 CA THR A 489 -4.396 -6.509 4.588 1.00 0.00 C ATOM 964 C THR A 489 -3.008 -6.173 4.061 1.00 0.00 C ATOM 965 O THR A 489 -2.842 -5.784 2.908 1.00 0.00 O ATOM 966 CB THR A 489 -5.041 -5.261 5.196 1.00 0.00 C ATOM 967 OG1 THR A 489 -6.365 -5.536 5.616 1.00 0.00 O ATOM 968 CG2 THR A 489 -5.100 -4.090 4.239 1.00 0.00 C ATOM 0 H THR A 489 -4.777 -7.382 6.458 1.00 0.00 H new ATOM 0 HA THR A 489 -5.025 -6.853 3.767 1.00 0.00 H new ATOM 0 HB THR A 489 -4.405 -4.990 6.039 1.00 0.00 H new ATOM 0 HG1 THR A 489 -6.356 -5.841 6.547 1.00 0.00 H new ATOM 0 HG21 THR A 489 -5.568 -3.239 4.734 1.00 0.00 H new ATOM 0 HG22 THR A 489 -4.090 -3.820 3.932 1.00 0.00 H new ATOM 0 HG23 THR A 489 -5.684 -4.366 3.361 1.00 0.00 H new ATOM 976 N VAL A 490 -2.012 -6.352 4.924 1.00 0.00 N ATOM 977 CA VAL A 490 -0.624 -6.094 4.562 1.00 0.00 C ATOM 978 C VAL A 490 -0.043 -7.298 3.838 1.00 0.00 C ATOM 979 O VAL A 490 0.683 -7.161 2.853 1.00 0.00 O ATOM 980 CB VAL A 490 0.228 -5.793 5.805 1.00 0.00 C ATOM 981 CG1 VAL A 490 1.575 -5.208 5.410 1.00 0.00 C ATOM 982 CG2 VAL A 490 -0.518 -4.854 6.736 1.00 0.00 C ATOM 0 H VAL A 490 -2.142 -6.676 5.882 1.00 0.00 H new ATOM 0 HA VAL A 490 -0.606 -5.223 3.907 1.00 0.00 H new ATOM 0 HB VAL A 490 0.413 -6.729 6.333 1.00 0.00 H new ATOM 0 HG11 VAL A 490 2.160 -5.003 6.307 1.00 0.00 H new ATOM 0 HG12 VAL A 490 2.111 -5.920 4.782 1.00 0.00 H new ATOM 0 HG13 VAL A 490 1.421 -4.281 4.858 1.00 0.00 H new ATOM 0 HG21 VAL A 490 0.095 -4.648 7.613 1.00 0.00 H new ATOM 0 HG22 VAL A 490 -0.733 -3.920 6.216 1.00 0.00 H new ATOM 0 HG23 VAL A 490 -1.453 -5.319 7.048 1.00 0.00 H new ATOM 992 N ASN A 491 -0.391 -8.480 4.330 1.00 0.00 N ATOM 993 CA ASN A 491 0.062 -9.727 3.737 1.00 0.00 C ATOM 994 C ASN A 491 -0.434 -9.829 2.297 1.00 0.00 C ATOM 995 O ASN A 491 0.221 -10.421 1.439 1.00 0.00 O ATOM 996 CB ASN A 491 -0.450 -10.903 4.575 1.00 0.00 C ATOM 997 CG ASN A 491 -0.408 -12.228 3.838 1.00 0.00 C ATOM 998 OD1 ASN A 491 0.655 -12.694 3.428 1.00 0.00 O ATOM 999 ND2 ASN A 491 -1.575 -12.840 3.668 1.00 0.00 N ATOM 0 H ASN A 491 -0.991 -8.599 5.146 1.00 0.00 H new ATOM 0 HA ASN A 491 1.152 -9.754 3.724 1.00 0.00 H new ATOM 0 HB2 ASN A 491 0.148 -10.981 5.483 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -1.475 -10.700 4.885 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -1.615 -13.735 3.180 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -2.431 -12.415 4.026 1.00 0.00 H new ATOM 1006 N VAL A 492 -1.594 -9.233 2.045 1.00 0.00 N ATOM 1007 CA VAL A 492 -2.192 -9.232 0.717 1.00 0.00 C ATOM 1008 C VAL A 492 -1.896 -7.922 -0.013 1.00 0.00 C ATOM 1009 O VAL A 492 -2.208 -7.776 -1.191 1.00 0.00 O ATOM 1010 CB VAL A 492 -3.719 -9.432 0.802 1.00 0.00 C ATOM 1011 CG1 VAL A 492 -4.340 -8.394 1.726 1.00 0.00 C ATOM 1012 CG2 VAL A 492 -4.351 -9.375 -0.583 1.00 0.00 C ATOM 0 H VAL A 492 -2.142 -8.741 2.750 1.00 0.00 H new ATOM 0 HA VAL A 492 -1.753 -10.059 0.160 1.00 0.00 H new ATOM 0 HB VAL A 492 -3.914 -10.421 1.218 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -5.418 -8.549 1.775 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -3.913 -8.494 2.724 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -4.134 -7.395 1.341 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -5.428 -9.519 -0.498 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -4.149 -8.404 -1.035 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -3.929 -10.162 -1.208 1.00 0.00 H new ATOM 1022 N LEU A 493 -1.294 -6.971 0.692 1.00 0.00 N ATOM 1023 CA LEU A 493 -0.960 -5.686 0.107 1.00 0.00 C ATOM 1024 C LEU A 493 0.481 -5.681 -0.390 1.00 0.00 C ATOM 1025 O LEU A 493 0.778 -5.166 -1.468 1.00 0.00 O ATOM 1026 CB LEU A 493 -1.165 -4.569 1.138 1.00 0.00 C ATOM 1027 CG LEU A 493 -0.659 -3.190 0.717 1.00 0.00 C ATOM 1028 CD1 LEU A 493 -1.209 -2.811 -0.648 1.00 0.00 C ATOM 1029 CD2 LEU A 493 -1.036 -2.145 1.754 1.00 0.00 C ATOM 0 H LEU A 493 -1.028 -7.070 1.672 1.00 0.00 H new ATOM 0 HA LEU A 493 -1.620 -5.511 -0.743 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -2.229 -4.495 1.362 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -0.664 -4.855 2.063 1.00 0.00 H new ATOM 0 HG LEU A 493 0.428 -3.230 0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -0.837 -1.826 -0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -0.887 -3.545 -1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -2.298 -2.790 -0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -0.668 -1.169 1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -2.121 -2.108 1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -0.591 -2.407 2.714 1.00 0.00 H new ATOM 1041 N ALA A 494 1.372 -6.257 0.410 1.00 0.00 N ATOM 1042 CA ALA A 494 2.787 -6.326 0.067 1.00 0.00 C ATOM 1043 C ALA A 494 3.000 -6.965 -1.300 1.00 0.00 C ATOM 1044 O ALA A 494 3.931 -6.611 -2.023 1.00 0.00 O ATOM 1045 CB ALA A 494 3.544 -7.107 1.131 1.00 0.00 C ATOM 0 H ALA A 494 1.137 -6.685 1.305 1.00 0.00 H new ATOM 0 HA ALA A 494 3.171 -5.307 0.024 1.00 0.00 H new ATOM 0 HB1 ALA A 494 4.600 -7.153 0.866 1.00 0.00 H new ATOM 0 HB2 ALA A 494 3.433 -6.610 2.095 1.00 0.00 H new ATOM 0 HB3 ALA A 494 3.142 -8.118 1.196 1.00 0.00 H new ATOM 1051 N GLN A 495 2.144 -7.921 -1.641 1.00 0.00 N ATOM 1052 CA GLN A 495 2.245 -8.624 -2.906 1.00 0.00 C ATOM 1053 C GLN A 495 1.937 -7.718 -4.097 1.00 0.00 C ATOM 1054 O GLN A 495 2.620 -7.774 -5.120 1.00 0.00 O ATOM 1055 CB GLN A 495 1.307 -9.828 -2.907 1.00 0.00 C ATOM 1056 CG GLN A 495 -0.049 -9.542 -2.304 1.00 0.00 C ATOM 1057 CD GLN A 495 -1.193 -9.898 -3.233 1.00 0.00 C ATOM 1058 OE1 GLN A 495 -1.167 -10.929 -3.904 1.00 0.00 O ATOM 1059 NE2 GLN A 495 -2.206 -9.044 -3.274 1.00 0.00 N ATOM 0 H GLN A 495 1.369 -8.226 -1.052 1.00 0.00 H new ATOM 0 HA GLN A 495 3.276 -8.960 -3.013 1.00 0.00 H new ATOM 0 HB2 GLN A 495 1.173 -10.173 -3.932 1.00 0.00 H new ATOM 0 HB3 GLN A 495 1.776 -10.643 -2.355 1.00 0.00 H new ATOM 0 HG2 GLN A 495 -0.154 -10.102 -1.375 1.00 0.00 H new ATOM 0 HG3 GLN A 495 -0.111 -8.485 -2.047 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -2.186 -8.201 -2.700 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -3.006 -9.230 -3.879 1.00 0.00 H new ATOM 1068 N ILE A 496 0.900 -6.897 -3.971 1.00 0.00 N ATOM 1069 CA ILE A 496 0.500 -6.001 -5.051 1.00 0.00 C ATOM 1070 C ILE A 496 1.425 -4.790 -5.175 1.00 0.00 C ATOM 1071 O ILE A 496 1.831 -4.426 -6.278 1.00 0.00 O ATOM 1072 CB ILE A 496 -0.946 -5.501 -4.857 1.00 0.00 C ATOM 1073 CG1 ILE A 496 -1.938 -6.644 -5.068 1.00 0.00 C ATOM 1074 CG2 ILE A 496 -1.246 -4.356 -5.813 1.00 0.00 C ATOM 1075 CD1 ILE A 496 -3.171 -6.541 -4.197 1.00 0.00 C ATOM 0 H ILE A 496 0.322 -6.833 -3.133 1.00 0.00 H new ATOM 0 HA ILE A 496 0.568 -6.587 -5.967 1.00 0.00 H new ATOM 0 HB ILE A 496 -1.050 -5.135 -3.836 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -2.242 -6.662 -6.114 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -1.438 -7.591 -4.865 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -2.270 -4.015 -5.663 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -0.558 -3.533 -5.622 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -1.125 -4.699 -6.841 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -3.831 -7.385 -4.399 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -2.877 -6.554 -3.147 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -3.694 -5.610 -4.416 1.00 0.00 H new ATOM 1087 N LEU A 497 1.721 -4.156 -4.043 1.00 0.00 N ATOM 1088 CA LEU A 497 2.569 -2.960 -4.011 1.00 0.00 C ATOM 1089 C LEU A 497 3.654 -2.978 -5.094 1.00 0.00 C ATOM 1090 O LEU A 497 3.666 -2.130 -5.985 1.00 0.00 O ATOM 1091 CB LEU A 497 3.220 -2.828 -2.629 1.00 0.00 C ATOM 1092 CG LEU A 497 2.833 -1.591 -1.801 1.00 0.00 C ATOM 1093 CD1 LEU A 497 2.459 -0.400 -2.675 1.00 0.00 C ATOM 1094 CD2 LEU A 497 1.697 -1.929 -0.852 1.00 0.00 C ATOM 0 H LEU A 497 1.384 -4.451 -3.127 1.00 0.00 H new ATOM 0 HA LEU A 497 1.928 -2.102 -4.211 1.00 0.00 H new ATOM 0 HB2 LEU A 497 2.972 -3.717 -2.049 1.00 0.00 H new ATOM 0 HB3 LEU A 497 4.302 -2.825 -2.761 1.00 0.00 H new ATOM 0 HG LEU A 497 3.711 -1.301 -1.225 1.00 0.00 H new ATOM 0 HD11 LEU A 497 2.194 0.447 -2.042 1.00 0.00 H new ATOM 0 HD12 LEU A 497 3.307 -0.131 -3.305 1.00 0.00 H new ATOM 0 HD13 LEU A 497 1.608 -0.663 -3.304 1.00 0.00 H new ATOM 0 HD21 LEU A 497 1.432 -1.045 -0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 497 0.831 -2.260 -1.425 1.00 0.00 H new ATOM 0 HD23 LEU A 497 2.011 -2.725 -0.177 1.00 0.00 H new ATOM 1106 N LYS A 498 4.571 -3.935 -4.998 1.00 0.00 N ATOM 1107 CA LYS A 498 5.670 -4.044 -5.957 1.00 0.00 C ATOM 1108 C LYS A 498 5.158 -4.285 -7.370 1.00 0.00 C ATOM 1109 O LYS A 498 5.770 -3.852 -8.347 1.00 0.00 O ATOM 1110 CB LYS A 498 6.633 -5.162 -5.547 1.00 0.00 C ATOM 1111 CG LYS A 498 6.045 -6.561 -5.667 1.00 0.00 C ATOM 1112 CD LYS A 498 5.414 -7.019 -4.362 1.00 0.00 C ATOM 1113 CE LYS A 498 6.434 -7.047 -3.229 1.00 0.00 C ATOM 1114 NZ LYS A 498 6.138 -8.124 -2.246 1.00 0.00 N ATOM 0 H LYS A 498 4.577 -4.647 -4.267 1.00 0.00 H new ATOM 0 HA LYS A 498 6.205 -3.095 -5.951 1.00 0.00 H new ATOM 0 HB2 LYS A 498 7.528 -5.101 -6.166 1.00 0.00 H new ATOM 0 HB3 LYS A 498 6.946 -4.998 -4.516 1.00 0.00 H new ATOM 0 HG2 LYS A 498 5.295 -6.574 -6.458 1.00 0.00 H new ATOM 0 HG3 LYS A 498 6.828 -7.261 -5.958 1.00 0.00 H new ATOM 0 HD2 LYS A 498 4.594 -6.351 -4.099 1.00 0.00 H new ATOM 0 HD3 LYS A 498 4.986 -8.013 -4.492 1.00 0.00 H new ATOM 0 HE2 LYS A 498 7.432 -7.196 -3.642 1.00 0.00 H new ATOM 0 HE3 LYS A 498 6.440 -6.083 -2.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 6.938 -8.223 -1.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 5.279 -7.881 -1.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 5.990 -9.022 -2.749 1.00 0.00 H new ATOM 1128 N ARG A 499 4.035 -4.974 -7.470 1.00 0.00 N ATOM 1129 CA ARG A 499 3.431 -5.273 -8.762 1.00 0.00 C ATOM 1130 C ARG A 499 3.140 -3.992 -9.538 1.00 0.00 C ATOM 1131 O ARG A 499 3.032 -4.005 -10.763 1.00 0.00 O ATOM 1132 CB ARG A 499 2.138 -6.060 -8.565 1.00 0.00 C ATOM 1133 CG ARG A 499 1.806 -6.982 -9.725 1.00 0.00 C ATOM 1134 CD ARG A 499 2.036 -8.438 -9.358 1.00 0.00 C ATOM 1135 NE ARG A 499 1.715 -9.339 -10.461 1.00 0.00 N ATOM 1136 CZ ARG A 499 1.924 -10.653 -10.431 1.00 0.00 C ATOM 1137 NH1 ARG A 499 2.455 -11.223 -9.356 1.00 0.00 N ATOM 1138 NH2 ARG A 499 1.604 -11.400 -11.479 1.00 0.00 N ATOM 0 H ARG A 499 3.519 -5.340 -6.670 1.00 0.00 H new ATOM 0 HA ARG A 499 4.137 -5.873 -9.336 1.00 0.00 H new ATOM 0 HB2 ARG A 499 2.218 -6.651 -7.653 1.00 0.00 H new ATOM 0 HB3 ARG A 499 1.315 -5.360 -8.421 1.00 0.00 H new ATOM 0 HG2 ARG A 499 0.766 -6.839 -10.019 1.00 0.00 H new ATOM 0 HG3 ARG A 499 2.420 -6.721 -10.587 1.00 0.00 H new ATOM 0 HD2 ARG A 499 3.077 -8.578 -9.067 1.00 0.00 H new ATOM 0 HD3 ARG A 499 1.426 -8.694 -8.492 1.00 0.00 H new ATOM 0 HE ARG A 499 1.306 -8.938 -11.305 1.00 0.00 H new ATOM 0 HH11 ARG A 499 2.705 -10.653 -8.548 1.00 0.00 H new ATOM 0 HH12 ARG A 499 2.613 -12.231 -9.338 1.00 0.00 H new ATOM 0 HH21 ARG A 499 1.198 -10.967 -12.309 1.00 0.00 H new ATOM 0 HH22 ARG A 499 1.764 -12.407 -11.456 1.00 0.00 H new ATOM 1152 N LEU A 500 3.005 -2.894 -8.807 1.00 0.00 N ATOM 1153 CA LEU A 500 2.712 -1.600 -9.409 1.00 0.00 C ATOM 1154 C LEU A 500 3.819 -1.150 -10.347 1.00 0.00 C ATOM 1155 O LEU A 500 3.560 -0.708 -11.467 1.00 0.00 O ATOM 1156 CB LEU A 500 2.504 -0.560 -8.311 1.00 0.00 C ATOM 1157 CG LEU A 500 1.396 -0.904 -7.316 1.00 0.00 C ATOM 1158 CD1 LEU A 500 1.426 0.042 -6.123 1.00 0.00 C ATOM 1159 CD2 LEU A 500 0.043 -0.865 -8.009 1.00 0.00 C ATOM 0 H LEU A 500 3.094 -2.874 -7.791 1.00 0.00 H new ATOM 0 HA LEU A 500 1.802 -1.702 -10.000 1.00 0.00 H new ATOM 0 HB2 LEU A 500 3.439 -0.434 -7.765 1.00 0.00 H new ATOM 0 HB3 LEU A 500 2.274 0.399 -8.775 1.00 0.00 H new ATOM 0 HG LEU A 500 1.564 -1.914 -6.942 1.00 0.00 H new ATOM 0 HD11 LEU A 500 0.628 -0.223 -5.429 1.00 0.00 H new ATOM 0 HD12 LEU A 500 2.389 -0.040 -5.618 1.00 0.00 H new ATOM 0 HD13 LEU A 500 1.283 1.066 -6.467 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -0.740 -1.111 -7.292 1.00 0.00 H new ATOM 0 HD22 LEU A 500 -0.132 0.134 -8.409 1.00 0.00 H new ATOM 0 HD23 LEU A 500 0.030 -1.589 -8.823 1.00 0.00 H new ATOM 1171 N ASN A 501 5.050 -1.250 -9.879 1.00 0.00 N ATOM 1172 CA ASN A 501 6.201 -0.843 -10.663 1.00 0.00 C ATOM 1173 C ASN A 501 6.049 0.616 -11.085 1.00 0.00 C ATOM 1174 O ASN A 501 6.043 0.939 -12.274 1.00 0.00 O ATOM 1175 CB ASN A 501 6.340 -1.748 -11.883 1.00 0.00 C ATOM 1176 CG ASN A 501 7.536 -1.409 -12.741 1.00 0.00 C ATOM 1177 OD1 ASN A 501 8.059 -0.295 -12.699 1.00 0.00 O ATOM 1178 ND2 ASN A 501 7.982 -2.380 -13.523 1.00 0.00 N ATOM 0 H ASN A 501 5.279 -1.612 -8.953 1.00 0.00 H new ATOM 0 HA ASN A 501 7.104 -0.935 -10.059 1.00 0.00 H new ATOM 0 HB2 ASN A 501 6.420 -2.784 -11.552 1.00 0.00 H new ATOM 0 HB3 ASN A 501 5.435 -1.675 -12.487 1.00 0.00 H new ATOM 0 HD21 ASN A 501 8.791 -2.220 -14.124 1.00 0.00 H new ATOM 0 HD22 ASN A 501 7.517 -3.288 -13.525 1.00 0.00 H new ATOM 1185 N PRO A 502 5.911 1.519 -10.100 1.00 0.00 N ATOM 1186 CA PRO A 502 5.746 2.938 -10.319 1.00 0.00 C ATOM 1187 C PRO A 502 7.045 3.692 -10.092 1.00 0.00 C ATOM 1188 O PRO A 502 8.128 3.108 -10.126 1.00 0.00 O ATOM 1189 CB PRO A 502 4.729 3.296 -9.232 1.00 0.00 C ATOM 1190 CG PRO A 502 4.943 2.293 -8.134 1.00 0.00 C ATOM 1191 CD PRO A 502 5.893 1.244 -8.664 1.00 0.00 C ATOM 0 HA PRO A 502 5.440 3.191 -11.334 1.00 0.00 H new ATOM 0 HB2 PRO A 502 4.883 4.313 -8.870 1.00 0.00 H new ATOM 0 HB3 PRO A 502 3.710 3.246 -9.616 1.00 0.00 H new ATOM 0 HG2 PRO A 502 5.358 2.775 -7.249 1.00 0.00 H new ATOM 0 HG3 PRO A 502 3.997 1.840 -7.837 1.00 0.00 H new ATOM 0 HD2 PRO A 502 6.885 1.336 -8.222 1.00 0.00 H new ATOM 0 HD3 PRO A 502 5.541 0.235 -8.450 1.00 0.00 H new ATOM 1199 N GLU A 503 6.929 4.983 -9.841 1.00 0.00 N ATOM 1200 CA GLU A 503 8.081 5.813 -9.583 1.00 0.00 C ATOM 1201 C GLU A 503 7.991 6.396 -8.182 1.00 0.00 C ATOM 1202 O GLU A 503 6.907 6.744 -7.715 1.00 0.00 O ATOM 1203 CB GLU A 503 8.175 6.918 -10.625 1.00 0.00 C ATOM 1204 CG GLU A 503 9.209 6.638 -11.702 1.00 0.00 C ATOM 1205 CD GLU A 503 10.410 7.557 -11.614 1.00 0.00 C ATOM 1206 OE1 GLU A 503 11.048 7.598 -10.541 1.00 0.00 O ATOM 1207 OE2 GLU A 503 10.714 8.236 -12.617 1.00 0.00 O ATOM 0 H GLU A 503 6.038 5.479 -9.811 1.00 0.00 H new ATOM 0 HA GLU A 503 8.984 5.206 -9.649 1.00 0.00 H new ATOM 0 HB2 GLU A 503 7.200 7.051 -11.093 1.00 0.00 H new ATOM 0 HB3 GLU A 503 8.422 7.857 -10.129 1.00 0.00 H new ATOM 0 HG2 GLU A 503 9.542 5.603 -11.620 1.00 0.00 H new ATOM 0 HG3 GLU A 503 8.745 6.747 -12.682 1.00 0.00 H new ATOM 1214 N ARG A 504 9.126 6.485 -7.503 1.00 0.00 N ATOM 1215 CA ARG A 504 9.147 7.008 -6.148 1.00 0.00 C ATOM 1216 C ARG A 504 9.099 8.530 -6.138 1.00 0.00 C ATOM 1217 O ARG A 504 9.794 9.197 -6.906 1.00 0.00 O ATOM 1218 CB ARG A 504 10.382 6.511 -5.403 1.00 0.00 C ATOM 1219 CG ARG A 504 11.695 6.952 -6.031 1.00 0.00 C ATOM 1220 CD ARG A 504 12.716 7.343 -4.974 1.00 0.00 C ATOM 1221 NE ARG A 504 13.724 8.260 -5.499 1.00 0.00 N ATOM 1222 CZ ARG A 504 14.870 8.535 -4.881 1.00 0.00 C ATOM 1223 NH1 ARG A 504 15.158 7.965 -3.717 1.00 0.00 N ATOM 1224 NH2 ARG A 504 15.733 9.381 -5.427 1.00 0.00 N ATOM 0 H ARG A 504 10.037 6.204 -7.866 1.00 0.00 H new ATOM 0 HA ARG A 504 8.256 6.642 -5.637 1.00 0.00 H new ATOM 0 HB2 ARG A 504 10.343 6.869 -4.374 1.00 0.00 H new ATOM 0 HB3 ARG A 504 10.357 5.422 -5.362 1.00 0.00 H new ATOM 0 HG2 ARG A 504 12.096 6.144 -6.644 1.00 0.00 H new ATOM 0 HG3 ARG A 504 11.516 7.797 -6.695 1.00 0.00 H new ATOM 0 HD2 ARG A 504 12.205 7.810 -4.132 1.00 0.00 H new ATOM 0 HD3 ARG A 504 13.205 6.446 -4.593 1.00 0.00 H new ATOM 0 HE ARG A 504 13.539 8.717 -6.392 1.00 0.00 H new ATOM 0 HH11 ARG A 504 14.499 7.312 -3.292 1.00 0.00 H new ATOM 0 HH12 ARG A 504 16.038 8.180 -3.248 1.00 0.00 H new ATOM 0 HH21 ARG A 504 15.519 9.822 -6.322 1.00 0.00 H new ATOM 0 HH22 ARG A 504 16.611 9.591 -4.952 1.00 0.00 H new ATOM 1238 N LYS A 505 8.265 9.064 -5.256 1.00 0.00 N ATOM 1239 CA LYS A 505 8.096 10.506 -5.115 1.00 0.00 C ATOM 1240 C LYS A 505 7.602 10.833 -3.712 1.00 0.00 C ATOM 1241 O LYS A 505 7.026 9.980 -3.039 1.00 0.00 O ATOM 1242 CB LYS A 505 7.102 11.044 -6.153 1.00 0.00 C ATOM 1243 CG LYS A 505 7.061 10.243 -7.447 1.00 0.00 C ATOM 1244 CD LYS A 505 6.023 10.793 -8.413 1.00 0.00 C ATOM 1245 CE LYS A 505 4.609 10.443 -7.975 1.00 0.00 C ATOM 1246 NZ LYS A 505 3.688 11.605 -8.096 1.00 0.00 N ATOM 0 H LYS A 505 7.688 8.513 -4.620 1.00 0.00 H new ATOM 0 HA LYS A 505 9.062 10.983 -5.282 1.00 0.00 H new ATOM 0 HB2 LYS A 505 6.105 11.055 -5.713 1.00 0.00 H new ATOM 0 HB3 LYS A 505 7.360 12.077 -6.386 1.00 0.00 H new ATOM 0 HG2 LYS A 505 8.044 10.262 -7.918 1.00 0.00 H new ATOM 0 HG3 LYS A 505 6.834 9.201 -7.223 1.00 0.00 H new ATOM 0 HD2 LYS A 505 6.126 11.876 -8.481 1.00 0.00 H new ATOM 0 HD3 LYS A 505 6.205 10.393 -9.410 1.00 0.00 H new ATOM 0 HE2 LYS A 505 4.235 9.618 -8.581 1.00 0.00 H new ATOM 0 HE3 LYS A 505 4.624 10.098 -6.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 2.739 11.270 -8.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 3.639 12.105 -7.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 4.041 12.253 -8.829 1.00 0.00 H new ATOM 1260 N MET A 506 7.830 12.063 -3.266 1.00 0.00 N ATOM 1261 CA MET A 506 7.399 12.466 -1.933 1.00 0.00 C ATOM 1262 C MET A 506 6.170 13.368 -1.989 1.00 0.00 C ATOM 1263 O MET A 506 6.253 14.528 -2.392 1.00 0.00 O ATOM 1264 CB MET A 506 8.531 13.175 -1.188 1.00 0.00 C ATOM 1265 CG MET A 506 9.043 14.426 -1.882 1.00 0.00 C ATOM 1266 SD MET A 506 10.594 15.023 -1.180 1.00 0.00 S ATOM 1267 CE MET A 506 10.328 14.713 0.566 1.00 0.00 C ATOM 0 H MET A 506 8.305 12.791 -3.800 1.00 0.00 H new ATOM 0 HA MET A 506 7.131 11.559 -1.392 1.00 0.00 H new ATOM 0 HB2 MET A 506 8.183 13.443 -0.190 1.00 0.00 H new ATOM 0 HB3 MET A 506 9.360 12.478 -1.060 1.00 0.00 H new ATOM 0 HG2 MET A 506 9.185 14.217 -2.942 1.00 0.00 H new ATOM 0 HG3 MET A 506 8.290 15.211 -1.810 1.00 0.00 H new ATOM 0 HE1 MET A 506 11.099 15.218 1.147 1.00 0.00 H new ATOM 0 HE2 MET A 506 9.348 15.091 0.857 1.00 0.00 H new ATOM 0 HE3 MET A 506 10.375 13.641 0.756 1.00 0.00 H new ATOM 1277 N ILE A 507 5.035 12.825 -1.565 1.00 0.00 N ATOM 1278 CA ILE A 507 3.785 13.572 -1.545 1.00 0.00 C ATOM 1279 C ILE A 507 3.610 14.265 -0.196 1.00 0.00 C ATOM 1280 O ILE A 507 3.398 13.610 0.825 1.00 0.00 O ATOM 1281 CB ILE A 507 2.569 12.649 -1.812 1.00 0.00 C ATOM 1282 CG1 ILE A 507 2.518 12.183 -3.280 1.00 0.00 C ATOM 1283 CG2 ILE A 507 1.269 13.346 -1.435 1.00 0.00 C ATOM 1284 CD1 ILE A 507 3.269 13.072 -4.254 1.00 0.00 C ATOM 0 H ILE A 507 4.956 11.865 -1.229 1.00 0.00 H new ATOM 0 HA ILE A 507 3.832 14.317 -2.339 1.00 0.00 H new ATOM 0 HB ILE A 507 2.689 11.765 -1.185 1.00 0.00 H new ATOM 0 HG12 ILE A 507 2.926 11.174 -3.341 1.00 0.00 H new ATOM 0 HG13 ILE A 507 1.475 12.124 -3.592 1.00 0.00 H new ATOM 0 HG21 ILE A 507 0.429 12.680 -1.631 1.00 0.00 H new ATOM 0 HG22 ILE A 507 1.288 13.604 -0.376 1.00 0.00 H new ATOM 0 HG23 ILE A 507 1.158 14.254 -2.028 1.00 0.00 H new ATOM 0 HD11 ILE A 507 3.178 12.666 -5.262 1.00 0.00 H new ATOM 0 HD12 ILE A 507 2.848 14.077 -4.228 1.00 0.00 H new ATOM 0 HD13 ILE A 507 4.321 13.112 -3.973 1.00 0.00 H new ATOM 1296 N ASN A 508 3.704 15.589 -0.197 1.00 0.00 N ATOM 1297 CA ASN A 508 3.559 16.365 1.029 1.00 0.00 C ATOM 1298 C ASN A 508 4.604 15.948 2.060 1.00 0.00 C ATOM 1299 O ASN A 508 4.309 15.845 3.251 1.00 0.00 O ATOM 1300 CB ASN A 508 2.153 16.186 1.607 1.00 0.00 C ATOM 1301 CG ASN A 508 1.651 17.437 2.302 1.00 0.00 C ATOM 1302 OD1 ASN A 508 1.140 18.355 1.660 1.00 0.00 O ATOM 1303 ND2 ASN A 508 1.796 17.479 3.620 1.00 0.00 N ATOM 0 H ASN A 508 3.880 16.148 -1.032 1.00 0.00 H new ATOM 0 HA ASN A 508 3.712 17.417 0.787 1.00 0.00 H new ATOM 0 HB2 ASN A 508 1.465 15.918 0.805 1.00 0.00 H new ATOM 0 HB3 ASN A 508 2.157 15.357 2.315 1.00 0.00 H new ATOM 0 HD21 ASN A 508 1.478 18.295 4.142 1.00 0.00 H new ATOM 0 HD22 ASN A 508 2.225 16.695 4.111 1.00 0.00 H new ATOM 1310 N ASP A 509 5.827 15.707 1.591 1.00 0.00 N ATOM 1311 CA ASP A 509 6.925 15.299 2.465 1.00 0.00 C ATOM 1312 C ASP A 509 6.804 13.828 2.861 1.00 0.00 C ATOM 1313 O ASP A 509 7.506 13.362 3.759 1.00 0.00 O ATOM 1314 CB ASP A 509 6.971 16.174 3.721 1.00 0.00 C ATOM 1315 CG ASP A 509 8.381 16.356 4.248 1.00 0.00 C ATOM 1316 OD1 ASP A 509 9.014 15.342 4.612 1.00 0.00 O ATOM 1317 OD2 ASP A 509 8.853 17.512 4.298 1.00 0.00 O ATOM 0 H ASP A 509 6.083 15.788 0.607 1.00 0.00 H new ATOM 0 HA ASP A 509 7.852 15.429 1.907 1.00 0.00 H new ATOM 0 HB2 ASP A 509 6.541 17.150 3.496 1.00 0.00 H new ATOM 0 HB3 ASP A 509 6.351 15.724 4.497 1.00 0.00 H new ATOM 1322 N LYS A 510 5.918 13.098 2.188 1.00 0.00 N ATOM 1323 CA LYS A 510 5.723 11.681 2.477 1.00 0.00 C ATOM 1324 C LYS A 510 6.109 10.824 1.280 1.00 0.00 C ATOM 1325 O LYS A 510 5.681 11.083 0.157 1.00 0.00 O ATOM 1326 CB LYS A 510 4.269 11.405 2.854 1.00 0.00 C ATOM 1327 CG LYS A 510 4.082 10.079 3.575 1.00 0.00 C ATOM 1328 CD LYS A 510 4.169 10.245 5.085 1.00 0.00 C ATOM 1329 CE LYS A 510 5.495 10.860 5.506 1.00 0.00 C ATOM 1330 NZ LYS A 510 5.618 10.956 6.987 1.00 0.00 N ATOM 0 H LYS A 510 5.326 13.463 1.442 1.00 0.00 H new ATOM 0 HA LYS A 510 6.367 11.422 3.318 1.00 0.00 H new ATOM 0 HB2 LYS A 510 3.905 12.212 3.490 1.00 0.00 H new ATOM 0 HB3 LYS A 510 3.658 11.410 1.951 1.00 0.00 H new ATOM 0 HG2 LYS A 510 3.114 9.654 3.310 1.00 0.00 H new ATOM 0 HG3 LYS A 510 4.842 9.373 3.242 1.00 0.00 H new ATOM 0 HD2 LYS A 510 3.349 10.875 5.430 1.00 0.00 H new ATOM 0 HD3 LYS A 510 4.049 9.274 5.566 1.00 0.00 H new ATOM 0 HE2 LYS A 510 6.315 10.260 5.112 1.00 0.00 H new ATOM 0 HE3 LYS A 510 5.589 11.854 5.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 6.535 11.380 7.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 4.851 11.550 7.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 5.554 10.005 7.403 1.00 0.00 H new ATOM 1344 N MET A 511 6.918 9.800 1.522 1.00 0.00 N ATOM 1345 CA MET A 511 7.353 8.914 0.452 1.00 0.00 C ATOM 1346 C MET A 511 6.176 8.131 -0.123 1.00 0.00 C ATOM 1347 O MET A 511 5.641 7.228 0.520 1.00 0.00 O ATOM 1348 CB MET A 511 8.422 7.947 0.964 1.00 0.00 C ATOM 1349 CG MET A 511 9.816 8.552 1.016 1.00 0.00 C ATOM 1350 SD MET A 511 10.418 9.047 -0.610 1.00 0.00 S ATOM 1351 CE MET A 511 10.003 7.601 -1.581 1.00 0.00 C ATOM 0 H MET A 511 7.284 9.564 2.444 1.00 0.00 H new ATOM 0 HA MET A 511 7.778 9.528 -0.342 1.00 0.00 H new ATOM 0 HB2 MET A 511 8.145 7.608 1.962 1.00 0.00 H new ATOM 0 HB3 MET A 511 8.441 7.066 0.322 1.00 0.00 H new ATOM 0 HG2 MET A 511 9.807 9.420 1.676 1.00 0.00 H new ATOM 0 HG3 MET A 511 10.506 7.829 1.450 1.00 0.00 H new ATOM 0 HE1 MET A 511 10.699 7.511 -2.415 1.00 0.00 H new ATOM 0 HE2 MET A 511 10.070 6.711 -0.955 1.00 0.00 H new ATOM 0 HE3 MET A 511 8.988 7.700 -1.965 1.00 0.00 H new ATOM 1361 N HIS A 512 5.791 8.482 -1.344 1.00 0.00 N ATOM 1362 CA HIS A 512 4.692 7.824 -2.032 1.00 0.00 C ATOM 1363 C HIS A 512 5.172 7.240 -3.360 1.00 0.00 C ATOM 1364 O HIS A 512 5.899 7.896 -4.106 1.00 0.00 O ATOM 1365 CB HIS A 512 3.555 8.812 -2.311 1.00 0.00 C ATOM 1366 CG HIS A 512 2.802 9.271 -1.098 1.00 0.00 C ATOM 1367 ND1 HIS A 512 1.475 9.646 -1.144 1.00 0.00 N ATOM 1368 CD2 HIS A 512 3.188 9.428 0.189 1.00 0.00 C ATOM 1369 CE1 HIS A 512 1.079 10.013 0.060 1.00 0.00 C ATOM 1370 NE2 HIS A 512 2.099 9.891 0.888 1.00 0.00 N ATOM 0 H HIS A 512 6.231 9.228 -1.882 1.00 0.00 H new ATOM 0 HA HIS A 512 4.326 7.025 -1.387 1.00 0.00 H new ATOM 0 HB2 HIS A 512 3.968 9.685 -2.815 1.00 0.00 H new ATOM 0 HB3 HIS A 512 2.852 8.348 -3.002 1.00 0.00 H new ATOM 0 HD1 HIS A 512 0.890 9.640 -1.980 1.00 0.00 H new ATOM 0 HD2 HIS A 512 4.169 9.227 0.592 1.00 0.00 H new ATOM 0 HE1 HIS A 512 0.089 10.355 0.323 1.00 0.00 H new ATOM 1379 N PHE A 513 4.770 6.009 -3.649 1.00 0.00 N ATOM 1380 CA PHE A 513 5.162 5.345 -4.881 1.00 0.00 C ATOM 1381 C PHE A 513 3.970 5.185 -5.822 1.00 0.00 C ATOM 1382 O PHE A 513 2.952 4.605 -5.451 1.00 0.00 O ATOM 1383 CB PHE A 513 5.761 3.975 -4.553 1.00 0.00 C ATOM 1384 CG PHE A 513 5.771 3.658 -3.083 1.00 0.00 C ATOM 1385 CD1 PHE A 513 6.709 4.243 -2.250 1.00 0.00 C ATOM 1386 CD2 PHE A 513 4.840 2.791 -2.533 1.00 0.00 C ATOM 1387 CE1 PHE A 513 6.722 3.969 -0.896 1.00 0.00 C ATOM 1388 CE2 PHE A 513 4.846 2.516 -1.180 1.00 0.00 C ATOM 1389 CZ PHE A 513 5.789 3.104 -0.361 1.00 0.00 C ATOM 0 H PHE A 513 4.170 5.450 -3.043 1.00 0.00 H new ATOM 0 HA PHE A 513 5.908 5.959 -5.385 1.00 0.00 H new ATOM 0 HB2 PHE A 513 5.195 3.205 -5.078 1.00 0.00 H new ATOM 0 HB3 PHE A 513 6.782 3.934 -4.932 1.00 0.00 H new ATOM 0 HD1 PHE A 513 7.440 4.922 -2.664 1.00 0.00 H new ATOM 0 HD2 PHE A 513 4.102 2.326 -3.170 1.00 0.00 H new ATOM 0 HE1 PHE A 513 7.461 4.431 -0.258 1.00 0.00 H new ATOM 0 HE2 PHE A 513 4.113 1.841 -0.763 1.00 0.00 H new ATOM 0 HZ PHE A 513 5.797 2.887 0.697 1.00 0.00 H new ATOM 1399 N SER A 514 4.093 5.707 -7.038 1.00 0.00 N ATOM 1400 CA SER A 514 3.006 5.612 -8.008 1.00 0.00 C ATOM 1401 C SER A 514 3.396 6.153 -9.378 1.00 0.00 C ATOM 1402 O SER A 514 4.430 6.799 -9.543 1.00 0.00 O ATOM 1403 CB SER A 514 1.787 6.366 -7.500 1.00 0.00 C ATOM 1404 OG SER A 514 0.959 5.523 -6.719 1.00 0.00 O ATOM 0 H SER A 514 4.924 6.195 -7.373 1.00 0.00 H new ATOM 0 HA SER A 514 2.776 4.553 -8.123 1.00 0.00 H new ATOM 0 HB2 SER A 514 2.106 7.222 -6.905 1.00 0.00 H new ATOM 0 HB3 SER A 514 1.220 6.759 -8.344 1.00 0.00 H new ATOM 0 HG SER A 514 1.468 5.181 -5.955 1.00 0.00 H new ATOM 1410 N LEU A 515 2.527 5.895 -10.350 1.00 0.00 N ATOM 1411 CA LEU A 515 2.714 6.354 -11.707 1.00 0.00 C ATOM 1412 C LEU A 515 1.622 7.352 -12.033 1.00 0.00 C ATOM 1413 O LEU A 515 0.661 7.491 -11.275 1.00 0.00 O ATOM 1414 CB LEU A 515 2.680 5.193 -12.710 1.00 0.00 C ATOM 1415 CG LEU A 515 1.437 4.308 -12.631 1.00 0.00 C ATOM 1416 CD1 LEU A 515 1.274 3.476 -13.892 1.00 0.00 C ATOM 1417 CD2 LEU A 515 1.523 3.411 -11.417 1.00 0.00 C ATOM 0 H LEU A 515 1.671 5.358 -10.210 1.00 0.00 H new ATOM 0 HA LEU A 515 3.696 6.821 -11.786 1.00 0.00 H new ATOM 0 HB2 LEU A 515 2.754 5.601 -13.718 1.00 0.00 H new ATOM 0 HB3 LEU A 515 3.561 4.571 -12.553 1.00 0.00 H new ATOM 0 HG LEU A 515 0.562 4.952 -12.541 1.00 0.00 H new ATOM 0 HD11 LEU A 515 0.381 2.857 -13.806 1.00 0.00 H new ATOM 0 HD12 LEU A 515 1.176 4.136 -14.754 1.00 0.00 H new ATOM 0 HD13 LEU A 515 2.148 2.837 -14.022 1.00 0.00 H new ATOM 0 HD21 LEU A 515 0.634 2.782 -11.366 1.00 0.00 H new ATOM 0 HD22 LEU A 515 2.409 2.781 -11.492 1.00 0.00 H new ATOM 0 HD23 LEU A 515 1.588 4.022 -10.517 1.00 0.00 H new ATOM 1429 N LYS A 516 1.752 8.047 -13.147 1.00 0.00 N ATOM 1430 CA LYS A 516 0.744 9.018 -13.525 1.00 0.00 C ATOM 1431 C LYS A 516 0.335 8.859 -14.981 1.00 0.00 C ATOM 1432 O LYS A 516 1.083 9.211 -15.893 1.00 0.00 O ATOM 1433 CB LYS A 516 1.218 10.441 -13.245 1.00 0.00 C ATOM 1434 CG LYS A 516 2.628 10.507 -12.706 1.00 0.00 C ATOM 1435 CD LYS A 516 3.633 10.137 -13.779 1.00 0.00 C ATOM 1436 CE LYS A 516 4.887 9.512 -13.183 1.00 0.00 C ATOM 1437 NZ LYS A 516 5.140 8.145 -13.717 1.00 0.00 N ATOM 0 H LYS A 516 2.533 7.960 -13.797 1.00 0.00 H new ATOM 0 HA LYS A 516 -0.137 8.829 -12.912 1.00 0.00 H new ATOM 0 HB2 LYS A 516 1.161 11.023 -14.165 1.00 0.00 H new ATOM 0 HB3 LYS A 516 0.541 10.908 -12.530 1.00 0.00 H new ATOM 0 HG2 LYS A 516 2.835 11.512 -12.339 1.00 0.00 H new ATOM 0 HG3 LYS A 516 2.730 9.830 -11.857 1.00 0.00 H new ATOM 0 HD2 LYS A 516 3.176 9.439 -14.480 1.00 0.00 H new ATOM 0 HD3 LYS A 516 3.904 11.027 -14.346 1.00 0.00 H new ATOM 0 HE2 LYS A 516 5.745 10.149 -13.397 1.00 0.00 H new ATOM 0 HE3 LYS A 516 4.787 9.464 -12.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 5.931 7.711 -13.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 4.287 7.562 -13.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 5.378 8.206 -14.727 1.00 0.00 H new ATOM 1451 N GLU A 517 -0.864 8.323 -15.187 1.00 0.00 N ATOM 1452 CA GLU A 517 -1.389 8.110 -16.520 1.00 0.00 C ATOM 1453 C GLU A 517 -1.454 9.420 -17.300 1.00 0.00 C ATOM 1454 O GLU A 517 -1.786 9.375 -18.503 1.00 0.00 O ATOM 1455 CB GLU A 517 -2.776 7.486 -16.424 1.00 0.00 C ATOM 1456 CG GLU A 517 -3.723 8.243 -15.508 1.00 0.00 C ATOM 1457 CD GLU A 517 -4.733 9.076 -16.273 1.00 0.00 C ATOM 1458 OE1 GLU A 517 -5.692 8.491 -16.821 1.00 0.00 O ATOM 1459 OE2 GLU A 517 -4.566 10.313 -16.325 1.00 0.00 O ATOM 1460 OXT GLU A 517 -1.175 10.480 -16.701 1.00 0.00 O ATOM 0 H GLU A 517 -1.490 8.028 -14.438 1.00 0.00 H new ATOM 0 HA GLU A 517 -0.721 7.435 -17.055 1.00 0.00 H new ATOM 0 HB2 GLU A 517 -3.212 7.436 -17.422 1.00 0.00 H new ATOM 0 HB3 GLU A 517 -2.680 6.461 -16.066 1.00 0.00 H new ATOM 0 HG2 GLU A 517 -4.251 7.533 -14.871 1.00 0.00 H new ATOM 0 HG3 GLU A 517 -3.145 8.893 -14.851 1.00 0.00 H new