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 470 THR OG1 : rot -130:sc= 0.963 USER MOD Set 1.2: A 471 LYS NZ :NH3+ 149:sc= 0.97 (180deg=-0.139) USER MOD Set 2.1: A 469 THR OG1 : rot 180:sc= -1.93 USER MOD Set 2.2: A 512 HIS : no HE2:sc= -12.1! C(o=-14!,f=-15!) USER MOD Set 3.1: A 462 TYR OH : rot -175:sc= 1.5 USER MOD Set 3.2: A 476 LYS NZ :NH3+ -117:sc= 1.68 (180deg=-0.214) USER MOD Single : A 455 THR OG1 : rot 180:sc= -0.989 USER MOD Single : A 464 THR OG1 : rot -74:sc= 0.213 USER MOD Single : A 466 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 468 MET CE :methyl -137:sc= -7.94! (180deg=-11!) USER MOD Single : A 475 LYS NZ :NH3+ 154:sc= -0.152 (180deg=-0.606) 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 X(o=0,f=0) USER MOD Single : A 489 THR OG1 : rot 102:sc= 0.131 USER MOD Single : A 491 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 495 GLN : amide:sc= -4.55! C(o=-4.6!,f=-2.5!) USER MOD Single : A 498 LYS NZ :NH3+ 167:sc= -3.57! (180deg=-4.13!) USER MOD Single : A 501 ASN : amide:sc= -1.35 X(o=-1.4,f=-1.8!) USER MOD Single : A 505 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 506 MET CE :methyl -106:sc= -2.95! (180deg=-3.48!) USER MOD Single : A 508 ASN : amide:sc= -0.182 X(o=-0.18,f=-0.62) USER MOD Single : A 510 LYS NZ :NH3+ 165:sc= -0.769 (180deg=-0.823) USER MOD Single : A 511 MET CE :methyl 169:sc= -3.2! (180deg=-3.89!) USER MOD Single : A 514 SER OG : rot -114:sc= -4.25! USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 589 HIS : no HD1:sc= -2.79! K(o=-2.8!,f=-1.4) USER MOD Single : B 592 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N ASP B 587 1.676 -2.322 12.873 1.00 0.00 N ATOM 75 CA ASP B 587 2.610 -1.436 12.199 1.00 0.00 C ATOM 76 C ASP B 587 3.991 -2.074 12.063 1.00 0.00 C ATOM 77 O ASP B 587 4.779 -1.690 11.200 1.00 0.00 O ATOM 78 CB ASP B 587 2.714 -0.115 12.962 1.00 0.00 C ATOM 79 CG ASP B 587 2.488 1.088 12.067 1.00 0.00 C ATOM 80 OD1 ASP B 587 3.413 1.444 11.307 1.00 0.00 O ATOM 81 OD2 ASP B 587 1.388 1.675 12.128 1.00 0.00 O ATOM 0 HA ASP B 587 2.231 -1.248 11.194 1.00 0.00 H new ATOM 0 HB2 ASP B 587 1.982 -0.106 13.770 1.00 0.00 H new ATOM 0 HB3 ASP B 587 3.699 -0.041 13.423 1.00 0.00 H new ATOM 86 N ASP B 588 4.280 -3.041 12.927 1.00 0.00 N ATOM 87 CA ASP B 588 5.569 -3.725 12.913 1.00 0.00 C ATOM 88 C ASP B 588 5.916 -4.246 11.527 1.00 0.00 C ATOM 89 O ASP B 588 6.974 -3.940 10.980 1.00 0.00 O ATOM 90 CB ASP B 588 5.563 -4.869 13.912 1.00 0.00 C ATOM 91 CG ASP B 588 6.959 -5.283 14.332 1.00 0.00 C ATOM 92 OD1 ASP B 588 7.514 -4.650 15.256 1.00 0.00 O ATOM 93 OD2 ASP B 588 7.499 -6.240 13.739 1.00 0.00 O ATOM 0 H ASP B 588 3.638 -3.370 13.648 1.00 0.00 H new ATOM 0 HA ASP B 588 6.332 -2.999 13.195 1.00 0.00 H new ATOM 0 HB2 ASP B 588 4.995 -4.573 14.794 1.00 0.00 H new ATOM 0 HB3 ASP B 588 5.050 -5.726 13.475 1.00 0.00 H new ATOM 98 N HIS B 589 5.016 -5.037 10.971 1.00 0.00 N ATOM 99 CA HIS B 589 5.209 -5.614 9.652 1.00 0.00 C ATOM 100 C HIS B 589 4.911 -4.598 8.556 1.00 0.00 C ATOM 101 O HIS B 589 5.380 -4.731 7.426 1.00 0.00 O ATOM 102 CB HIS B 589 4.315 -6.841 9.488 1.00 0.00 C ATOM 103 CG HIS B 589 2.920 -6.650 9.992 1.00 0.00 C ATOM 104 ND1 HIS B 589 2.291 -7.553 10.823 1.00 0.00 N ATOM 105 CD2 HIS B 589 2.029 -5.654 9.776 1.00 0.00 C ATOM 106 CE1 HIS B 589 1.073 -7.121 11.097 1.00 0.00 C ATOM 107 NE2 HIS B 589 0.890 -5.971 10.474 1.00 0.00 N ATOM 0 H HIS B 589 4.136 -5.296 11.417 1.00 0.00 H new ATOM 0 HA HIS B 589 6.253 -5.912 9.559 1.00 0.00 H new ATOM 0 HB2 HIS B 589 4.275 -7.110 8.432 1.00 0.00 H new ATOM 0 HB3 HIS B 589 4.768 -7.681 10.014 1.00 0.00 H new ATOM 0 HD2 HIS B 589 2.185 -4.775 9.168 1.00 0.00 H new ATOM 0 HE1 HIS B 589 0.350 -7.623 11.723 1.00 0.00 H new ATOM 0 HE2 HIS B 589 0.039 -5.409 10.506 1.00 0.00 H new ATOM 116 N LEU B 590 4.131 -3.585 8.901 1.00 0.00 N ATOM 117 CA LEU B 590 3.764 -2.539 7.958 1.00 0.00 C ATOM 118 C LEU B 590 5.002 -1.836 7.409 1.00 0.00 C ATOM 119 O LEU B 590 4.991 -1.317 6.295 1.00 0.00 O ATOM 120 CB LEU B 590 2.845 -1.525 8.641 1.00 0.00 C ATOM 121 CG LEU B 590 2.575 -0.247 7.849 1.00 0.00 C ATOM 122 CD1 LEU B 590 1.660 -0.532 6.669 1.00 0.00 C ATOM 123 CD2 LEU B 590 1.975 0.817 8.755 1.00 0.00 C ATOM 0 H LEU B 590 3.737 -3.465 9.834 1.00 0.00 H new ATOM 0 HA LEU B 590 3.238 -3.000 7.122 1.00 0.00 H new ATOM 0 HB2 LEU B 590 1.892 -2.009 8.853 1.00 0.00 H new ATOM 0 HB3 LEU B 590 3.284 -1.252 9.601 1.00 0.00 H new ATOM 0 HG LEU B 590 3.521 0.128 7.459 1.00 0.00 H new ATOM 0 HD11 LEU B 590 1.480 0.391 6.117 1.00 0.00 H new ATOM 0 HD12 LEU B 590 2.131 -1.262 6.011 1.00 0.00 H new ATOM 0 HD13 LEU B 590 0.712 -0.929 7.031 1.00 0.00 H new ATOM 0 HD21 LEU B 590 1.787 1.723 8.178 1.00 0.00 H new ATOM 0 HD22 LEU B 590 1.037 0.452 9.173 1.00 0.00 H new ATOM 0 HD23 LEU B 590 2.670 1.040 9.564 1.00 0.00 H new ATOM 135 N ILE B 591 6.057 -1.790 8.207 1.00 0.00 N ATOM 136 CA ILE B 591 7.282 -1.127 7.800 1.00 0.00 C ATOM 137 C ILE B 591 8.212 -2.043 6.993 1.00 0.00 C ATOM 138 O ILE B 591 8.940 -1.568 6.124 1.00 0.00 O ATOM 139 CB ILE B 591 8.030 -0.548 9.018 1.00 0.00 C ATOM 140 CG1 ILE B 591 7.184 0.549 9.671 1.00 0.00 C ATOM 141 CG2 ILE B 591 9.392 0.004 8.610 1.00 0.00 C ATOM 142 CD1 ILE B 591 7.785 1.098 10.946 1.00 0.00 C ATOM 0 H ILE B 591 6.088 -2.204 9.139 1.00 0.00 H new ATOM 0 HA ILE B 591 6.984 -0.309 7.144 1.00 0.00 H new ATOM 0 HB ILE B 591 8.195 -1.350 9.738 1.00 0.00 H new ATOM 0 HG12 ILE B 591 7.051 1.365 8.961 1.00 0.00 H new ATOM 0 HG13 ILE B 591 6.193 0.151 9.888 1.00 0.00 H new ATOM 0 HG21 ILE B 591 9.899 0.406 9.487 1.00 0.00 H new ATOM 0 HG22 ILE B 591 9.994 -0.795 8.178 1.00 0.00 H new ATOM 0 HG23 ILE B 591 9.258 0.796 7.873 1.00 0.00 H new ATOM 0 HD11 ILE B 591 7.132 1.870 11.353 1.00 0.00 H new ATOM 0 HD12 ILE B 591 7.892 0.293 11.673 1.00 0.00 H new ATOM 0 HD13 ILE B 591 8.764 1.526 10.732 1.00 0.00 H new ATOM 154 N TYR B 592 8.212 -3.348 7.287 1.00 0.00 N ATOM 155 CA TYR B 592 9.095 -4.271 6.566 1.00 0.00 C ATOM 156 C TYR B 592 8.639 -4.500 5.135 1.00 0.00 C ATOM 157 O TYR B 592 9.464 -4.603 4.229 1.00 0.00 O ATOM 158 CB TYR B 592 9.279 -5.607 7.325 1.00 0.00 C ATOM 159 CG TYR B 592 8.182 -6.647 7.134 1.00 0.00 C ATOM 160 CD1 TYR B 592 7.777 -7.060 5.871 1.00 0.00 C ATOM 161 CD2 TYR B 592 7.556 -7.218 8.232 1.00 0.00 C ATOM 162 CE1 TYR B 592 6.784 -8.002 5.707 1.00 0.00 C ATOM 163 CE2 TYR B 592 6.561 -8.165 8.078 1.00 0.00 C ATOM 164 CZ TYR B 592 6.178 -8.553 6.813 1.00 0.00 C ATOM 165 OH TYR B 592 5.187 -9.494 6.654 1.00 0.00 O ATOM 0 H TYR B 592 7.626 -3.781 8.001 1.00 0.00 H new ATOM 0 HA TYR B 592 10.072 -3.791 6.516 1.00 0.00 H new ATOM 0 HB2 TYR B 592 10.227 -6.048 7.016 1.00 0.00 H new ATOM 0 HB3 TYR B 592 9.361 -5.388 8.390 1.00 0.00 H new ATOM 0 HD1 TYR B 592 8.250 -6.634 4.999 1.00 0.00 H new ATOM 0 HD2 TYR B 592 7.852 -6.917 9.226 1.00 0.00 H new ATOM 0 HE1 TYR B 592 6.483 -8.306 4.715 1.00 0.00 H new ATOM 0 HE2 TYR B 592 6.086 -8.599 8.946 1.00 0.00 H new ATOM 0 HH TYR B 592 4.865 -9.782 7.534 1.00 0.00 H new ATOM 175 N LEU B 593 7.339 -4.584 4.924 1.00 0.00 N ATOM 176 CA LEU B 593 6.823 -4.802 3.579 1.00 0.00 C ATOM 177 C LEU B 593 7.027 -3.555 2.732 1.00 0.00 C ATOM 178 O LEU B 593 6.971 -3.604 1.504 1.00 0.00 O ATOM 179 CB LEU B 593 5.349 -5.247 3.597 1.00 0.00 C ATOM 180 CG LEU B 593 4.288 -4.145 3.512 1.00 0.00 C ATOM 181 CD1 LEU B 593 4.453 -3.165 4.651 1.00 0.00 C ATOM 182 CD2 LEU B 593 4.326 -3.434 2.167 1.00 0.00 C ATOM 0 H LEU B 593 6.628 -4.507 5.651 1.00 0.00 H new ATOM 0 HA LEU B 593 7.386 -5.618 3.126 1.00 0.00 H new ATOM 0 HB2 LEU B 593 5.192 -5.933 2.765 1.00 0.00 H new ATOM 0 HB3 LEU B 593 5.177 -5.813 4.513 1.00 0.00 H new ATOM 0 HG LEU B 593 3.308 -4.615 3.601 1.00 0.00 H new ATOM 0 HD11 LEU B 593 3.692 -2.389 4.576 1.00 0.00 H new ATOM 0 HD12 LEU B 593 4.345 -3.689 5.601 1.00 0.00 H new ATOM 0 HD13 LEU B 593 5.442 -2.710 4.599 1.00 0.00 H new ATOM 0 HD21 LEU B 593 3.560 -2.659 2.143 1.00 0.00 H new ATOM 0 HD22 LEU B 593 5.306 -2.980 2.023 1.00 0.00 H new ATOM 0 HD23 LEU B 593 4.139 -4.153 1.370 1.00 0.00 H new ATOM 194 N GLU B 594 7.259 -2.432 3.391 1.00 0.00 N ATOM 195 CA GLU B 594 7.471 -1.187 2.687 1.00 0.00 C ATOM 196 C GLU B 594 8.716 -1.270 1.803 1.00 0.00 C ATOM 197 O GLU B 594 8.795 -0.618 0.763 1.00 0.00 O ATOM 198 CB GLU B 594 7.589 -0.024 3.683 1.00 0.00 C ATOM 199 CG GLU B 594 9.017 0.304 4.097 1.00 0.00 C ATOM 200 CD GLU B 594 9.087 1.073 5.402 1.00 0.00 C ATOM 201 OE1 GLU B 594 8.020 1.461 5.922 1.00 0.00 O ATOM 202 OE2 GLU B 594 10.210 1.290 5.904 1.00 0.00 O ATOM 0 H GLU B 594 7.304 -2.361 4.407 1.00 0.00 H new ATOM 0 HA GLU B 594 6.611 -1.004 2.043 1.00 0.00 H new ATOM 0 HB2 GLU B 594 7.138 0.865 3.241 1.00 0.00 H new ATOM 0 HB3 GLU B 594 7.011 -0.265 4.575 1.00 0.00 H new ATOM 0 HG2 GLU B 594 9.584 -0.622 4.195 1.00 0.00 H new ATOM 0 HG3 GLU B 594 9.494 0.888 3.310 1.00 0.00 H new ATOM 209 N GLU B 595 9.691 -2.067 2.238 1.00 0.00 N ATOM 210 CA GLU B 595 10.945 -2.221 1.499 1.00 0.00 C ATOM 211 C GLU B 595 10.834 -3.236 0.367 1.00 0.00 C ATOM 212 O GLU B 595 11.326 -2.996 -0.736 1.00 0.00 O ATOM 213 CB GLU B 595 12.095 -2.593 2.443 1.00 0.00 C ATOM 214 CG GLU B 595 11.849 -3.843 3.271 1.00 0.00 C ATOM 215 CD GLU B 595 13.125 -4.608 3.560 1.00 0.00 C ATOM 216 OE1 GLU B 595 13.999 -4.664 2.670 1.00 0.00 O ATOM 217 OE2 GLU B 595 13.250 -5.153 4.677 1.00 0.00 O ATOM 0 H GLU B 595 9.638 -2.615 3.096 1.00 0.00 H new ATOM 0 HA GLU B 595 11.161 -1.254 1.044 1.00 0.00 H new ATOM 0 HB2 GLU B 595 13.001 -2.735 1.854 1.00 0.00 H new ATOM 0 HB3 GLU B 595 12.281 -1.757 3.117 1.00 0.00 H new ATOM 0 HG2 GLU B 595 11.375 -3.564 4.212 1.00 0.00 H new ATOM 0 HG3 GLU B 595 11.151 -4.493 2.743 1.00 0.00 H new ATOM 224 N ILE B 596 10.188 -4.362 0.630 1.00 0.00 N ATOM 225 CA ILE B 596 10.022 -5.396 -0.397 1.00 0.00 C ATOM 226 C ILE B 596 9.428 -4.807 -1.665 1.00 0.00 C ATOM 227 O ILE B 596 9.635 -5.320 -2.765 1.00 0.00 O ATOM 228 CB ILE B 596 9.136 -6.573 0.073 1.00 0.00 C ATOM 229 CG1 ILE B 596 7.888 -6.068 0.787 1.00 0.00 C ATOM 230 CG2 ILE B 596 9.917 -7.502 0.984 1.00 0.00 C ATOM 231 CD1 ILE B 596 6.695 -5.893 -0.123 1.00 0.00 C ATOM 0 H ILE B 596 9.772 -4.588 1.533 1.00 0.00 H new ATOM 0 HA ILE B 596 11.021 -5.785 -0.596 1.00 0.00 H new ATOM 0 HB ILE B 596 8.825 -7.129 -0.812 1.00 0.00 H new ATOM 0 HG12 ILE B 596 7.628 -6.767 1.582 1.00 0.00 H new ATOM 0 HG13 ILE B 596 8.114 -5.114 1.263 1.00 0.00 H new ATOM 0 HG21 ILE B 596 9.275 -8.323 1.303 1.00 0.00 H new ATOM 0 HG22 ILE B 596 10.777 -7.902 0.446 1.00 0.00 H new ATOM 0 HG23 ILE B 596 10.261 -6.950 1.858 1.00 0.00 H new ATOM 0 HD11 ILE B 596 5.845 -5.531 0.456 1.00 0.00 H new ATOM 0 HD12 ILE B 596 6.936 -5.171 -0.904 1.00 0.00 H new ATOM 0 HD13 ILE B 596 6.442 -6.850 -0.579 1.00 0.00 H new ATOM 243 N LEU B 597 8.688 -3.727 -1.495 1.00 0.00 N ATOM 244 CA LEU B 597 8.050 -3.045 -2.604 1.00 0.00 C ATOM 245 C LEU B 597 9.042 -2.285 -3.456 1.00 0.00 C ATOM 246 O LEU B 597 9.461 -2.741 -4.519 1.00 0.00 O ATOM 247 CB LEU B 597 7.011 -2.069 -2.071 1.00 0.00 C ATOM 248 CG LEU B 597 6.584 -0.984 -3.062 1.00 0.00 C ATOM 249 CD1 LEU B 597 5.984 -1.604 -4.310 1.00 0.00 C ATOM 250 CD2 LEU B 597 5.605 -0.030 -2.410 1.00 0.00 C ATOM 0 H LEU B 597 8.513 -3.299 -0.586 1.00 0.00 H new ATOM 0 HA LEU B 597 7.583 -3.807 -3.228 1.00 0.00 H new ATOM 0 HB2 LEU B 597 6.128 -2.631 -1.766 1.00 0.00 H new ATOM 0 HB3 LEU B 597 7.409 -1.589 -1.177 1.00 0.00 H new ATOM 0 HG LEU B 597 7.468 -0.419 -3.358 1.00 0.00 H new ATOM 0 HD11 LEU B 597 5.687 -0.815 -5.001 1.00 0.00 H new ATOM 0 HD12 LEU B 597 6.723 -2.247 -4.788 1.00 0.00 H new ATOM 0 HD13 LEU B 597 5.110 -2.196 -4.038 1.00 0.00 H new ATOM 0 HD21 LEU B 597 5.311 0.736 -3.127 1.00 0.00 H new ATOM 0 HD22 LEU B 597 4.722 -0.581 -2.084 1.00 0.00 H new ATOM 0 HD23 LEU B 597 6.076 0.442 -1.548 1.00 0.00 H new ATOM 262 N VAL B 598 9.368 -1.097 -2.989 1.00 0.00 N ATOM 263 CA VAL B 598 10.257 -0.216 -3.697 1.00 0.00 C ATOM 264 C VAL B 598 11.176 0.510 -2.732 1.00 0.00 C ATOM 265 O VAL B 598 11.602 1.636 -2.986 1.00 0.00 O ATOM 266 CB VAL B 598 9.456 0.820 -4.510 1.00 0.00 C ATOM 267 CG1 VAL B 598 8.537 0.143 -5.519 1.00 0.00 C ATOM 268 CG2 VAL B 598 8.653 1.712 -3.577 1.00 0.00 C ATOM 0 H VAL B 598 9.021 -0.720 -2.107 1.00 0.00 H new ATOM 0 HA VAL B 598 10.857 -0.823 -4.375 1.00 0.00 H new ATOM 0 HB VAL B 598 10.165 1.434 -5.065 1.00 0.00 H new ATOM 0 HG11 VAL B 598 7.987 0.901 -6.076 1.00 0.00 H new ATOM 0 HG12 VAL B 598 9.132 -0.454 -6.210 1.00 0.00 H new ATOM 0 HG13 VAL B 598 7.834 -0.504 -4.994 1.00 0.00 H new ATOM 0 HG21 VAL B 598 8.092 2.440 -4.163 1.00 0.00 H new ATOM 0 HG22 VAL B 598 7.961 1.102 -2.996 1.00 0.00 H new ATOM 0 HG23 VAL B 598 9.330 2.235 -2.902 1.00 0.00 H new ATOM 367 N VAL A 454 -8.399 -6.249 -2.008 1.00 0.00 N ATOM 368 CA VAL A 454 -7.053 -5.804 -2.345 1.00 0.00 C ATOM 369 C VAL A 454 -6.509 -6.582 -3.529 1.00 0.00 C ATOM 370 O VAL A 454 -6.221 -7.773 -3.424 1.00 0.00 O ATOM 371 CB VAL A 454 -6.103 -5.954 -1.143 1.00 0.00 C ATOM 372 CG1 VAL A 454 -4.641 -5.859 -1.567 1.00 0.00 C ATOM 373 CG2 VAL A 454 -6.432 -4.899 -0.112 1.00 0.00 C ATOM 0 HA VAL A 454 -7.113 -4.749 -2.612 1.00 0.00 H new ATOM 0 HB VAL A 454 -6.246 -6.943 -0.709 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -4.000 -5.969 -0.692 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -4.417 -6.650 -2.282 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -4.459 -4.889 -2.030 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -5.761 -5.002 0.741 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -6.310 -3.909 -0.552 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -7.463 -5.024 0.220 1.00 0.00 H new ATOM 383 N THR A 455 -6.387 -5.905 -4.660 1.00 0.00 N ATOM 384 CA THR A 455 -5.895 -6.548 -5.861 1.00 0.00 C ATOM 385 C THR A 455 -4.810 -5.745 -6.544 1.00 0.00 C ATOM 386 O THR A 455 -4.581 -4.577 -6.238 1.00 0.00 O ATOM 387 CB THR A 455 -7.045 -6.782 -6.826 1.00 0.00 C ATOM 388 OG1 THR A 455 -7.781 -5.588 -7.030 1.00 0.00 O ATOM 389 CG2 THR A 455 -7.997 -7.834 -6.317 1.00 0.00 C ATOM 0 H THR A 455 -6.621 -4.918 -4.768 1.00 0.00 H new ATOM 0 HA THR A 455 -5.455 -7.500 -5.563 1.00 0.00 H new ATOM 0 HB THR A 455 -6.600 -7.119 -7.762 1.00 0.00 H new ATOM 0 HG1 THR A 455 -8.516 -5.759 -7.656 1.00 0.00 H new ATOM 0 HG21 THR A 455 -8.805 -7.972 -7.036 1.00 0.00 H new ATOM 0 HG22 THR A 455 -7.463 -8.775 -6.186 1.00 0.00 H new ATOM 0 HG23 THR A 455 -8.412 -7.517 -5.360 1.00 0.00 H new ATOM 397 N GLU A 456 -4.158 -6.399 -7.486 1.00 0.00 N ATOM 398 CA GLU A 456 -3.098 -5.796 -8.260 1.00 0.00 C ATOM 399 C GLU A 456 -3.628 -4.630 -9.077 1.00 0.00 C ATOM 400 O GLU A 456 -3.093 -3.524 -9.031 1.00 0.00 O ATOM 401 CB GLU A 456 -2.517 -6.846 -9.193 1.00 0.00 C ATOM 402 CG GLU A 456 -1.380 -7.644 -8.578 1.00 0.00 C ATOM 403 CD GLU A 456 -0.956 -8.810 -9.449 1.00 0.00 C ATOM 404 OE1 GLU A 456 -0.850 -8.625 -10.680 1.00 0.00 O ATOM 405 OE2 GLU A 456 -0.729 -9.909 -8.901 1.00 0.00 O ATOM 0 H GLU A 456 -4.352 -7.369 -7.735 1.00 0.00 H new ATOM 0 HA GLU A 456 -2.329 -5.422 -7.584 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -3.310 -7.531 -9.494 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -2.158 -6.357 -10.098 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -0.526 -6.987 -8.414 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -1.688 -8.017 -7.601 1.00 0.00 H new ATOM 412 N ASP A 457 -4.674 -4.911 -9.837 1.00 0.00 N ATOM 413 CA ASP A 457 -5.300 -3.917 -10.705 1.00 0.00 C ATOM 414 C ASP A 457 -5.937 -2.773 -9.920 1.00 0.00 C ATOM 415 O ASP A 457 -6.062 -1.659 -10.425 1.00 0.00 O ATOM 416 CB ASP A 457 -6.352 -4.585 -11.585 1.00 0.00 C ATOM 417 CG ASP A 457 -6.032 -4.469 -13.063 1.00 0.00 C ATOM 418 OD1 ASP A 457 -5.633 -3.368 -13.499 1.00 0.00 O ATOM 419 OD2 ASP A 457 -6.178 -5.478 -13.784 1.00 0.00 O ATOM 0 H ASP A 457 -5.115 -5.830 -9.872 1.00 0.00 H new ATOM 0 HA ASP A 457 -4.511 -3.488 -11.323 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -6.431 -5.638 -11.315 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -7.324 -4.132 -11.390 1.00 0.00 H new ATOM 424 N ALA A 458 -6.348 -3.053 -8.693 1.00 0.00 N ATOM 425 CA ALA A 458 -6.982 -2.040 -7.855 1.00 0.00 C ATOM 426 C ALA A 458 -6.002 -0.941 -7.484 1.00 0.00 C ATOM 427 O ALA A 458 -6.231 0.232 -7.770 1.00 0.00 O ATOM 428 CB ALA A 458 -7.563 -2.666 -6.595 1.00 0.00 C ATOM 0 H ALA A 458 -6.256 -3.969 -8.254 1.00 0.00 H new ATOM 0 HA ALA A 458 -7.793 -1.597 -8.433 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -8.030 -1.892 -5.986 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -8.309 -3.411 -6.870 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -6.766 -3.144 -6.025 1.00 0.00 H new ATOM 434 N VAL A 459 -4.909 -1.325 -6.838 1.00 0.00 N ATOM 435 CA VAL A 459 -3.902 -0.363 -6.423 1.00 0.00 C ATOM 436 C VAL A 459 -3.505 0.552 -7.577 1.00 0.00 C ATOM 437 O VAL A 459 -3.185 1.721 -7.371 1.00 0.00 O ATOM 438 CB VAL A 459 -2.654 -1.060 -5.855 1.00 0.00 C ATOM 439 CG1 VAL A 459 -1.728 -0.041 -5.212 1.00 0.00 C ATOM 440 CG2 VAL A 459 -3.054 -2.128 -4.849 1.00 0.00 C ATOM 0 H VAL A 459 -4.699 -2.292 -6.592 1.00 0.00 H new ATOM 0 HA VAL A 459 -4.347 0.242 -5.633 1.00 0.00 H new ATOM 0 HB VAL A 459 -2.121 -1.543 -6.674 1.00 0.00 H new ATOM 0 HG11 VAL A 459 -0.849 -0.548 -4.814 1.00 0.00 H new ATOM 0 HG12 VAL A 459 -1.418 0.691 -5.958 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -2.252 0.466 -4.402 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -2.159 -2.612 -4.457 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -3.607 -1.668 -4.030 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -3.683 -2.871 -5.338 1.00 0.00 H new ATOM 450 N ARG A 460 -3.554 0.014 -8.790 1.00 0.00 N ATOM 451 CA ARG A 460 -3.221 0.785 -9.988 1.00 0.00 C ATOM 452 C ARG A 460 -4.078 2.044 -10.065 1.00 0.00 C ATOM 453 O ARG A 460 -3.572 3.138 -10.307 1.00 0.00 O ATOM 454 CB ARG A 460 -3.444 -0.048 -11.256 1.00 0.00 C ATOM 455 CG ARG A 460 -2.948 -1.482 -11.159 1.00 0.00 C ATOM 456 CD ARG A 460 -1.480 -1.545 -10.769 1.00 0.00 C ATOM 457 NE ARG A 460 -0.648 -2.063 -11.853 1.00 0.00 N ATOM 458 CZ ARG A 460 -0.152 -1.312 -12.836 1.00 0.00 C ATOM 459 NH1 ARG A 460 -0.401 -0.009 -12.878 1.00 0.00 N ATOM 460 NH2 ARG A 460 0.594 -1.868 -13.780 1.00 0.00 N ATOM 0 H ARG A 460 -3.821 -0.953 -8.973 1.00 0.00 H new ATOM 0 HA ARG A 460 -2.168 1.060 -9.922 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -4.509 -0.059 -11.486 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -2.943 0.442 -12.091 1.00 0.00 H new ATOM 0 HG2 ARG A 460 -3.543 -2.024 -10.424 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -3.092 -1.982 -12.117 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -1.135 -0.549 -10.492 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -1.365 -2.178 -9.889 1.00 0.00 H new ATOM 0 HE ARG A 460 -0.434 -3.060 -11.858 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -0.975 0.424 -12.155 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -0.018 0.559 -13.633 1.00 0.00 H new ATOM 0 HH21 ARG A 460 0.788 -2.869 -13.753 1.00 0.00 H new ATOM 0 HH22 ARG A 460 0.974 -1.295 -14.533 1.00 0.00 H new ATOM 474 N ARG A 461 -5.380 1.873 -9.855 1.00 0.00 N ATOM 475 CA ARG A 461 -6.321 2.982 -9.899 1.00 0.00 C ATOM 476 C ARG A 461 -5.980 4.029 -8.842 1.00 0.00 C ATOM 477 O ARG A 461 -6.282 5.210 -9.005 1.00 0.00 O ATOM 478 CB ARG A 461 -7.747 2.448 -9.725 1.00 0.00 C ATOM 479 CG ARG A 461 -8.245 2.481 -8.298 1.00 0.00 C ATOM 480 CD ARG A 461 -9.692 2.038 -8.194 1.00 0.00 C ATOM 481 NE ARG A 461 -9.837 0.829 -7.386 1.00 0.00 N ATOM 482 CZ ARG A 461 -11.008 0.263 -7.101 1.00 0.00 C ATOM 483 NH1 ARG A 461 -12.137 0.792 -7.557 1.00 0.00 N ATOM 484 NH2 ARG A 461 -11.051 -0.835 -6.358 1.00 0.00 N ATOM 0 H ARG A 461 -5.807 0.969 -9.651 1.00 0.00 H new ATOM 0 HA ARG A 461 -6.251 3.474 -10.869 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -8.422 3.034 -10.348 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -7.787 1.422 -10.089 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -7.622 1.834 -7.681 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -8.145 3.492 -7.902 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -10.286 2.840 -7.756 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -10.088 1.856 -9.193 1.00 0.00 H new ATOM 0 HE ARG A 461 -8.991 0.393 -7.019 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -12.110 1.636 -8.129 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -13.031 0.354 -7.336 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -10.187 -1.246 -6.005 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -11.948 -1.268 -6.140 1.00 0.00 H new ATOM 498 N TYR A 462 -5.336 3.591 -7.764 1.00 0.00 N ATOM 499 CA TYR A 462 -4.943 4.500 -6.695 1.00 0.00 C ATOM 500 C TYR A 462 -3.768 5.362 -7.139 1.00 0.00 C ATOM 501 O TYR A 462 -3.750 6.571 -6.919 1.00 0.00 O ATOM 502 CB TYR A 462 -4.553 3.722 -5.434 1.00 0.00 C ATOM 503 CG TYR A 462 -5.575 2.699 -4.981 1.00 0.00 C ATOM 504 CD1 TYR A 462 -6.860 2.676 -5.513 1.00 0.00 C ATOM 505 CD2 TYR A 462 -5.250 1.755 -4.015 1.00 0.00 C ATOM 506 CE1 TYR A 462 -7.789 1.743 -5.095 1.00 0.00 C ATOM 507 CE2 TYR A 462 -6.173 0.820 -3.595 1.00 0.00 C ATOM 508 CZ TYR A 462 -7.441 0.816 -4.137 1.00 0.00 C ATOM 509 OH TYR A 462 -8.363 -0.116 -3.717 1.00 0.00 O ATOM 0 H TYR A 462 -5.077 2.617 -7.609 1.00 0.00 H new ATOM 0 HA TYR A 462 -5.796 5.139 -6.467 1.00 0.00 H new ATOM 0 HB2 TYR A 462 -3.606 3.214 -5.615 1.00 0.00 H new ATOM 0 HB3 TYR A 462 -4.384 4.431 -4.623 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -7.136 3.400 -6.266 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -4.259 1.753 -3.586 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -8.783 1.740 -5.517 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -5.903 0.093 -2.843 1.00 0.00 H new ATOM 0 HH TYR A 462 -7.984 -0.643 -2.983 1.00 0.00 H new ATOM 519 N LEU A 463 -2.785 4.717 -7.757 1.00 0.00 N ATOM 520 CA LEU A 463 -1.588 5.389 -8.228 1.00 0.00 C ATOM 521 C LEU A 463 -1.890 6.350 -9.371 1.00 0.00 C ATOM 522 O LEU A 463 -1.614 7.546 -9.275 1.00 0.00 O ATOM 523 CB LEU A 463 -0.571 4.345 -8.681 1.00 0.00 C ATOM 524 CG LEU A 463 -0.536 3.061 -7.846 1.00 0.00 C ATOM 525 CD1 LEU A 463 0.745 2.283 -8.101 1.00 0.00 C ATOM 526 CD2 LEU A 463 -0.687 3.377 -6.364 1.00 0.00 C ATOM 0 H LEU A 463 -2.799 3.714 -7.944 1.00 0.00 H new ATOM 0 HA LEU A 463 -1.182 5.977 -7.405 1.00 0.00 H new ATOM 0 HB2 LEU A 463 -0.784 4.080 -9.717 1.00 0.00 H new ATOM 0 HB3 LEU A 463 0.421 4.797 -8.665 1.00 0.00 H new ATOM 0 HG LEU A 463 -1.377 2.438 -8.150 1.00 0.00 H new ATOM 0 HD11 LEU A 463 0.746 1.376 -7.497 1.00 0.00 H new ATOM 0 HD12 LEU A 463 0.805 2.016 -9.156 1.00 0.00 H new ATOM 0 HD13 LEU A 463 1.604 2.898 -7.833 1.00 0.00 H new ATOM 0 HD21 LEU A 463 -0.659 2.451 -5.790 1.00 0.00 H new ATOM 0 HD22 LEU A 463 0.129 4.026 -6.045 1.00 0.00 H new ATOM 0 HD23 LEU A 463 -1.639 3.881 -6.195 1.00 0.00 H new ATOM 538 N THR A 464 -2.454 5.823 -10.453 1.00 0.00 N ATOM 539 CA THR A 464 -2.785 6.641 -11.611 1.00 0.00 C ATOM 540 C THR A 464 -3.613 7.854 -11.202 1.00 0.00 C ATOM 541 O THR A 464 -3.634 8.869 -11.898 1.00 0.00 O ATOM 542 CB THR A 464 -3.544 5.811 -12.646 1.00 0.00 C ATOM 543 OG1 THR A 464 -4.158 4.689 -12.041 1.00 0.00 O ATOM 544 CG2 THR A 464 -2.665 5.304 -13.769 1.00 0.00 C ATOM 0 H THR A 464 -2.690 4.836 -10.551 1.00 0.00 H new ATOM 0 HA THR A 464 -1.854 6.995 -12.054 1.00 0.00 H new ATOM 0 HB THR A 464 -4.288 6.488 -13.066 1.00 0.00 H new ATOM 0 HG1 THR A 464 -3.476 4.020 -11.825 1.00 0.00 H new ATOM 0 HG21 THR A 464 -3.267 4.723 -14.468 1.00 0.00 H new ATOM 0 HG22 THR A 464 -2.218 6.150 -14.291 1.00 0.00 H new ATOM 0 HG23 THR A 464 -1.877 4.674 -13.358 1.00 0.00 H new ATOM 552 N ARG A 465 -4.295 7.739 -10.069 1.00 0.00 N ATOM 553 CA ARG A 465 -5.121 8.818 -9.567 1.00 0.00 C ATOM 554 C ARG A 465 -4.348 9.699 -8.586 1.00 0.00 C ATOM 555 O ARG A 465 -4.427 10.926 -8.648 1.00 0.00 O ATOM 556 CB ARG A 465 -6.374 8.258 -8.892 1.00 0.00 C ATOM 557 CG ARG A 465 -7.319 9.331 -8.376 1.00 0.00 C ATOM 558 CD ARG A 465 -8.409 8.739 -7.499 1.00 0.00 C ATOM 559 NE ARG A 465 -8.813 9.653 -6.434 1.00 0.00 N ATOM 560 CZ ARG A 465 -8.122 9.831 -5.310 1.00 0.00 C ATOM 561 NH1 ARG A 465 -6.996 9.162 -5.101 1.00 0.00 N ATOM 562 NH2 ARG A 465 -8.559 10.683 -4.392 1.00 0.00 N ATOM 0 H ARG A 465 -4.289 6.905 -9.482 1.00 0.00 H new ATOM 0 HA ARG A 465 -5.417 9.434 -10.416 1.00 0.00 H new ATOM 0 HB2 ARG A 465 -6.908 7.627 -9.602 1.00 0.00 H new ATOM 0 HB3 ARG A 465 -6.074 7.620 -8.061 1.00 0.00 H new ATOM 0 HG2 ARG A 465 -6.755 10.071 -7.808 1.00 0.00 H new ATOM 0 HG3 ARG A 465 -7.772 9.854 -9.218 1.00 0.00 H new ATOM 0 HD2 ARG A 465 -9.275 8.494 -8.114 1.00 0.00 H new ATOM 0 HD3 ARG A 465 -8.055 7.806 -7.061 1.00 0.00 H new ATOM 0 HE ARG A 465 -9.674 10.186 -6.558 1.00 0.00 H new ATOM 0 HH11 ARG A 465 -6.654 8.506 -5.804 1.00 0.00 H new ATOM 0 HH12 ARG A 465 -6.472 9.303 -4.238 1.00 0.00 H new ATOM 0 HH21 ARG A 465 -9.424 11.201 -4.548 1.00 0.00 H new ATOM 0 HH22 ARG A 465 -8.030 10.820 -3.531 1.00 0.00 H new ATOM 576 N LYS A 466 -3.605 9.067 -7.679 1.00 0.00 N ATOM 577 CA LYS A 466 -2.826 9.796 -6.686 1.00 0.00 C ATOM 578 C LYS A 466 -1.849 8.866 -5.965 1.00 0.00 C ATOM 579 O LYS A 466 -2.219 7.770 -5.548 1.00 0.00 O ATOM 580 CB LYS A 466 -3.753 10.460 -5.678 1.00 0.00 C ATOM 581 CG LYS A 466 -3.393 11.906 -5.382 1.00 0.00 C ATOM 582 CD LYS A 466 -2.721 12.044 -4.024 1.00 0.00 C ATOM 583 CE LYS A 466 -1.366 12.727 -4.130 1.00 0.00 C ATOM 584 NZ LYS A 466 -1.255 13.888 -3.204 1.00 0.00 N ATOM 0 H LYS A 466 -3.528 8.052 -7.613 1.00 0.00 H new ATOM 0 HA LYS A 466 -2.250 10.563 -7.203 1.00 0.00 H new ATOM 0 HB2 LYS A 466 -4.775 10.418 -6.054 1.00 0.00 H new ATOM 0 HB3 LYS A 466 -3.732 9.891 -4.748 1.00 0.00 H new ATOM 0 HG2 LYS A 466 -2.728 12.283 -6.159 1.00 0.00 H new ATOM 0 HG3 LYS A 466 -4.294 12.519 -5.408 1.00 0.00 H new ATOM 0 HD2 LYS A 466 -3.365 12.616 -3.356 1.00 0.00 H new ATOM 0 HD3 LYS A 466 -2.597 11.057 -3.578 1.00 0.00 H new ATOM 0 HE2 LYS A 466 -0.578 12.008 -3.906 1.00 0.00 H new ATOM 0 HE3 LYS A 466 -1.208 13.064 -5.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 -0.317 14.326 -3.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 -1.990 14.587 -3.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 -1.380 13.563 -2.224 1.00 0.00 H new ATOM 598 N PRO A 467 -0.580 9.287 -5.805 1.00 0.00 N ATOM 599 CA PRO A 467 0.435 8.472 -5.133 1.00 0.00 C ATOM 600 C PRO A 467 0.074 8.163 -3.687 1.00 0.00 C ATOM 601 O PRO A 467 -0.489 8.998 -2.979 1.00 0.00 O ATOM 602 CB PRO A 467 1.709 9.325 -5.221 1.00 0.00 C ATOM 603 CG PRO A 467 1.217 10.714 -5.437 1.00 0.00 C ATOM 604 CD PRO A 467 -0.032 10.575 -6.262 1.00 0.00 C ATOM 0 HA PRO A 467 0.543 7.493 -5.600 1.00 0.00 H new ATOM 0 HB2 PRO A 467 2.299 9.251 -4.308 1.00 0.00 H new ATOM 0 HB3 PRO A 467 2.349 8.999 -6.041 1.00 0.00 H new ATOM 0 HG2 PRO A 467 1.007 11.208 -4.488 1.00 0.00 H new ATOM 0 HG3 PRO A 467 1.963 11.319 -5.953 1.00 0.00 H new ATOM 0 HD2 PRO A 467 -0.727 11.396 -6.086 1.00 0.00 H new ATOM 0 HD3 PRO A 467 0.187 10.566 -7.330 1.00 0.00 H new ATOM 612 N MET A 468 0.395 6.943 -3.264 1.00 0.00 N ATOM 613 CA MET A 468 0.103 6.494 -1.909 1.00 0.00 C ATOM 614 C MET A 468 1.343 5.926 -1.235 1.00 0.00 C ATOM 615 O MET A 468 2.410 5.816 -1.839 1.00 0.00 O ATOM 616 CB MET A 468 -0.975 5.403 -1.928 1.00 0.00 C ATOM 617 CG MET A 468 -0.701 4.303 -2.942 1.00 0.00 C ATOM 618 SD MET A 468 0.531 3.120 -2.361 1.00 0.00 S ATOM 619 CE MET A 468 1.614 3.026 -3.784 1.00 0.00 C ATOM 0 H MET A 468 0.860 6.246 -3.845 1.00 0.00 H new ATOM 0 HA MET A 468 -0.247 7.362 -1.351 1.00 0.00 H new ATOM 0 HB2 MET A 468 -1.052 4.961 -0.935 1.00 0.00 H new ATOM 0 HB3 MET A 468 -1.940 5.859 -2.149 1.00 0.00 H new ATOM 0 HG2 MET A 468 -1.630 3.777 -3.162 1.00 0.00 H new ATOM 0 HG3 MET A 468 -0.359 4.750 -3.875 1.00 0.00 H new ATOM 0 HE1 MET A 468 1.884 1.986 -3.968 1.00 0.00 H new ATOM 0 HE2 MET A 468 1.102 3.428 -4.658 1.00 0.00 H new ATOM 0 HE3 MET A 468 2.516 3.607 -3.593 1.00 0.00 H new ATOM 629 N THR A 469 1.162 5.520 0.012 1.00 0.00 N ATOM 630 CA THR A 469 2.216 4.899 0.796 1.00 0.00 C ATOM 631 C THR A 469 1.744 3.499 1.171 1.00 0.00 C ATOM 632 O THR A 469 0.540 3.257 1.229 1.00 0.00 O ATOM 633 CB THR A 469 2.504 5.717 2.058 1.00 0.00 C ATOM 634 OG1 THR A 469 1.393 6.528 2.394 1.00 0.00 O ATOM 635 CG2 THR A 469 3.708 6.622 1.923 1.00 0.00 C ATOM 0 H THR A 469 0.277 5.613 0.510 1.00 0.00 H new ATOM 0 HA THR A 469 3.139 4.852 0.218 1.00 0.00 H new ATOM 0 HB THR A 469 2.708 4.983 2.837 1.00 0.00 H new ATOM 0 HG1 THR A 469 1.596 7.042 3.203 1.00 0.00 H new ATOM 0 HG21 THR A 469 3.855 7.172 2.852 1.00 0.00 H new ATOM 0 HG22 THR A 469 4.593 6.021 1.713 1.00 0.00 H new ATOM 0 HG23 THR A 469 3.545 7.326 1.107 1.00 0.00 H new ATOM 643 N THR A 470 2.661 2.569 1.415 1.00 0.00 N ATOM 644 CA THR A 470 2.250 1.209 1.764 1.00 0.00 C ATOM 645 C THR A 470 1.242 1.224 2.897 1.00 0.00 C ATOM 646 O THR A 470 0.217 0.544 2.843 1.00 0.00 O ATOM 647 CB THR A 470 3.450 0.333 2.122 1.00 0.00 C ATOM 648 OG1 THR A 470 4.582 1.120 2.441 1.00 0.00 O ATOM 649 CG2 THR A 470 3.845 -0.605 1.004 1.00 0.00 C ATOM 0 H THR A 470 3.669 2.722 1.380 1.00 0.00 H new ATOM 0 HA THR A 470 1.775 0.775 0.884 1.00 0.00 H new ATOM 0 HB THR A 470 3.132 -0.253 2.984 1.00 0.00 H new ATOM 0 HG1 THR A 470 5.357 0.800 1.933 1.00 0.00 H new ATOM 0 HG21 THR A 470 4.702 -1.202 1.315 1.00 0.00 H new ATOM 0 HG22 THR A 470 3.009 -1.265 0.770 1.00 0.00 H new ATOM 0 HG23 THR A 470 4.108 -0.026 0.119 1.00 0.00 H new ATOM 657 N LYS A 471 1.521 2.026 3.905 1.00 0.00 N ATOM 658 CA LYS A 471 0.620 2.155 5.036 1.00 0.00 C ATOM 659 C LYS A 471 -0.684 2.787 4.576 1.00 0.00 C ATOM 660 O LYS A 471 -1.765 2.236 4.772 1.00 0.00 O ATOM 661 CB LYS A 471 1.254 3.008 6.137 1.00 0.00 C ATOM 662 CG LYS A 471 2.719 2.690 6.391 1.00 0.00 C ATOM 663 CD LYS A 471 3.631 3.743 5.786 1.00 0.00 C ATOM 664 CE LYS A 471 4.904 3.126 5.224 1.00 0.00 C ATOM 665 NZ LYS A 471 4.999 3.300 3.748 1.00 0.00 N ATOM 0 H LYS A 471 2.363 2.598 3.965 1.00 0.00 H new ATOM 0 HA LYS A 471 0.421 1.163 5.442 1.00 0.00 H new ATOM 0 HB2 LYS A 471 1.161 4.060 5.868 1.00 0.00 H new ATOM 0 HB3 LYS A 471 0.695 2.865 7.062 1.00 0.00 H new ATOM 0 HG2 LYS A 471 2.898 2.626 7.464 1.00 0.00 H new ATOM 0 HG3 LYS A 471 2.959 1.714 5.969 1.00 0.00 H new ATOM 0 HD2 LYS A 471 3.102 4.272 4.993 1.00 0.00 H new ATOM 0 HD3 LYS A 471 3.888 4.482 6.545 1.00 0.00 H new ATOM 0 HE2 LYS A 471 5.771 3.584 5.700 1.00 0.00 H new ATOM 0 HE3 LYS A 471 4.931 2.064 5.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 5.999 3.372 3.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 4.566 2.482 3.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 4.498 4.167 3.468 1.00 0.00 H new ATOM 679 N ASP A 472 -0.569 3.948 3.948 1.00 0.00 N ATOM 680 CA ASP A 472 -1.733 4.664 3.448 1.00 0.00 C ATOM 681 C ASP A 472 -2.529 3.822 2.448 1.00 0.00 C ATOM 682 O ASP A 472 -3.708 4.085 2.216 1.00 0.00 O ATOM 683 CB ASP A 472 -1.301 5.979 2.798 1.00 0.00 C ATOM 684 CG ASP A 472 -2.479 6.799 2.308 1.00 0.00 C ATOM 685 OD1 ASP A 472 -3.538 6.770 2.970 1.00 0.00 O ATOM 686 OD2 ASP A 472 -2.343 7.469 1.264 1.00 0.00 O ATOM 0 H ASP A 472 0.321 4.415 3.772 1.00 0.00 H new ATOM 0 HA ASP A 472 -2.383 4.875 4.297 1.00 0.00 H new ATOM 0 HB2 ASP A 472 -0.728 6.565 3.517 1.00 0.00 H new ATOM 0 HB3 ASP A 472 -0.637 5.766 1.960 1.00 0.00 H new ATOM 691 N LEU A 473 -1.889 2.815 1.848 1.00 0.00 N ATOM 692 CA LEU A 473 -2.571 1.967 0.874 1.00 0.00 C ATOM 693 C LEU A 473 -3.429 0.910 1.554 1.00 0.00 C ATOM 694 O LEU A 473 -4.533 0.605 1.108 1.00 0.00 O ATOM 695 CB LEU A 473 -1.572 1.293 -0.060 1.00 0.00 C ATOM 696 CG LEU A 473 -1.992 1.260 -1.523 1.00 0.00 C ATOM 697 CD1 LEU A 473 -1.030 0.404 -2.330 1.00 0.00 C ATOM 698 CD2 LEU A 473 -3.414 0.736 -1.653 1.00 0.00 C ATOM 0 H LEU A 473 -0.913 2.571 2.018 1.00 0.00 H new ATOM 0 HA LEU A 473 -3.223 2.616 0.289 1.00 0.00 H new ATOM 0 HB2 LEU A 473 -0.616 1.811 0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -1.410 0.270 0.281 1.00 0.00 H new ATOM 0 HG LEU A 473 -1.962 2.276 -1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 473 -1.343 0.390 -3.374 1.00 0.00 H new ATOM 0 HD12 LEU A 473 -0.025 0.820 -2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 473 -1.031 -0.613 -1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 473 -3.700 0.718 -2.705 1.00 0.00 H new ATOM 0 HD22 LEU A 473 -3.469 -0.273 -1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 473 -4.093 1.387 -1.103 1.00 0.00 H new ATOM 710 N LEU A 474 -2.899 0.340 2.619 1.00 0.00 N ATOM 711 CA LEU A 474 -3.601 -0.707 3.358 1.00 0.00 C ATOM 712 C LEU A 474 -4.592 -0.144 4.373 1.00 0.00 C ATOM 713 O LEU A 474 -5.741 -0.582 4.430 1.00 0.00 O ATOM 714 CB LEU A 474 -2.614 -1.643 4.058 1.00 0.00 C ATOM 715 CG LEU A 474 -1.510 -0.941 4.834 1.00 0.00 C ATOM 716 CD1 LEU A 474 -1.805 -0.964 6.327 1.00 0.00 C ATOM 717 CD2 LEU A 474 -0.159 -1.577 4.544 1.00 0.00 C ATOM 0 H LEU A 474 -1.983 0.581 2.997 1.00 0.00 H new ATOM 0 HA LEU A 474 -4.170 -1.273 2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 474 -3.168 -2.286 4.742 1.00 0.00 H new ATOM 0 HB3 LEU A 474 -2.157 -2.292 3.310 1.00 0.00 H new ATOM 0 HG LEU A 474 -1.473 0.099 4.509 1.00 0.00 H new ATOM 0 HD11 LEU A 474 -1.003 -0.457 6.864 1.00 0.00 H new ATOM 0 HD12 LEU A 474 -2.749 -0.455 6.519 1.00 0.00 H new ATOM 0 HD13 LEU A 474 -1.874 -1.997 6.668 1.00 0.00 H new ATOM 0 HD21 LEU A 474 0.616 -1.059 5.109 1.00 0.00 H new ATOM 0 HD22 LEU A 474 -0.181 -2.627 4.836 1.00 0.00 H new ATOM 0 HD23 LEU A 474 0.058 -1.501 3.478 1.00 0.00 H new ATOM 729 N LYS A 475 -4.152 0.817 5.181 1.00 0.00 N ATOM 730 CA LYS A 475 -5.014 1.413 6.194 1.00 0.00 C ATOM 731 C LYS A 475 -6.365 1.823 5.614 1.00 0.00 C ATOM 732 O LYS A 475 -7.366 1.873 6.328 1.00 0.00 O ATOM 733 CB LYS A 475 -4.320 2.618 6.820 1.00 0.00 C ATOM 734 CG LYS A 475 -2.971 2.274 7.425 1.00 0.00 C ATOM 735 CD LYS A 475 -3.100 1.218 8.505 1.00 0.00 C ATOM 736 CE LYS A 475 -1.904 1.229 9.444 1.00 0.00 C ATOM 737 NZ LYS A 475 -1.800 2.510 10.195 1.00 0.00 N ATOM 0 H LYS A 475 -3.206 1.198 5.153 1.00 0.00 H new ATOM 0 HA LYS A 475 -5.200 0.662 6.962 1.00 0.00 H new ATOM 0 HB2 LYS A 475 -4.186 3.389 6.061 1.00 0.00 H new ATOM 0 HB3 LYS A 475 -4.962 3.040 7.593 1.00 0.00 H new ATOM 0 HG2 LYS A 475 -2.301 1.916 6.643 1.00 0.00 H new ATOM 0 HG3 LYS A 475 -2.520 3.173 7.845 1.00 0.00 H new ATOM 0 HD2 LYS A 475 -4.013 1.390 9.075 1.00 0.00 H new ATOM 0 HD3 LYS A 475 -3.192 0.235 8.044 1.00 0.00 H new ATOM 0 HE2 LYS A 475 -1.988 0.401 10.148 1.00 0.00 H new ATOM 0 HE3 LYS A 475 -0.991 1.069 8.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 -1.298 2.347 11.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 -1.276 3.205 9.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 -2.754 2.874 10.394 1.00 0.00 H new ATOM 751 N LYS A 476 -6.389 2.111 4.318 1.00 0.00 N ATOM 752 CA LYS A 476 -7.619 2.511 3.654 1.00 0.00 C ATOM 753 C LYS A 476 -8.498 1.300 3.349 1.00 0.00 C ATOM 754 O LYS A 476 -9.723 1.378 3.429 1.00 0.00 O ATOM 755 CB LYS A 476 -7.313 3.279 2.366 1.00 0.00 C ATOM 756 CG LYS A 476 -6.443 2.504 1.393 1.00 0.00 C ATOM 757 CD LYS A 476 -6.970 2.597 -0.031 1.00 0.00 C ATOM 758 CE LYS A 476 -7.397 1.235 -0.555 1.00 0.00 C ATOM 759 NZ LYS A 476 -8.616 1.324 -1.404 1.00 0.00 N ATOM 0 H LYS A 476 -5.572 2.074 3.709 1.00 0.00 H new ATOM 0 HA LYS A 476 -8.164 3.168 4.332 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -8.251 3.539 1.875 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -6.816 4.215 2.620 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -5.424 2.889 1.430 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -6.400 1.458 1.697 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -7.817 3.283 -0.063 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -6.199 3.013 -0.680 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -6.583 0.797 -1.133 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -7.587 0.566 0.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 -9.389 0.790 -0.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -8.897 2.320 -1.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -8.415 0.925 -2.343 1.00 0.00 H new ATOM 773 N PHE A 477 -7.866 0.179 3.002 1.00 0.00 N ATOM 774 CA PHE A 477 -8.590 -1.044 2.689 1.00 0.00 C ATOM 775 C PHE A 477 -9.278 -1.601 3.924 1.00 0.00 C ATOM 776 O PHE A 477 -10.477 -1.879 3.919 1.00 0.00 O ATOM 777 CB PHE A 477 -7.624 -2.089 2.138 1.00 0.00 C ATOM 778 CG PHE A 477 -7.444 -2.028 0.652 1.00 0.00 C ATOM 779 CD1 PHE A 477 -8.489 -2.336 -0.204 1.00 0.00 C ATOM 780 CD2 PHE A 477 -6.224 -1.668 0.112 1.00 0.00 C ATOM 781 CE1 PHE A 477 -8.317 -2.284 -1.573 1.00 0.00 C ATOM 782 CE2 PHE A 477 -6.045 -1.616 -1.252 1.00 0.00 C ATOM 783 CZ PHE A 477 -7.093 -1.924 -2.099 1.00 0.00 C ATOM 0 H PHE A 477 -6.852 0.097 2.932 1.00 0.00 H new ATOM 0 HA PHE A 477 -9.349 -0.808 1.943 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -6.653 -1.960 2.617 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -7.984 -3.081 2.410 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -9.448 -2.620 0.204 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -5.401 -1.425 0.768 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -9.139 -2.525 -2.231 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -5.086 -1.335 -1.660 1.00 0.00 H new ATOM 0 HZ PHE A 477 -6.954 -1.883 -3.169 1.00 0.00 H new ATOM 889 N LEU A 484 -10.834 -6.998 5.329 1.00 0.00 N ATOM 890 CA LEU A 484 -9.476 -7.445 5.568 1.00 0.00 C ATOM 891 C LEU A 484 -8.802 -6.616 6.656 1.00 0.00 C ATOM 892 O LEU A 484 -8.763 -5.388 6.585 1.00 0.00 O ATOM 893 CB LEU A 484 -8.660 -7.383 4.274 1.00 0.00 C ATOM 894 CG LEU A 484 -8.498 -8.721 3.552 1.00 0.00 C ATOM 895 CD1 LEU A 484 -9.813 -9.146 2.917 1.00 0.00 C ATOM 896 CD2 LEU A 484 -7.401 -8.631 2.503 1.00 0.00 C ATOM 0 HA LEU A 484 -9.520 -8.479 5.911 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -9.136 -6.675 3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -7.670 -6.988 4.504 1.00 0.00 H new ATOM 0 HG LEU A 484 -8.211 -9.476 4.284 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -9.679 -10.100 2.407 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -10.573 -9.251 3.691 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -10.130 -8.392 2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -7.300 -9.592 1.999 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -7.658 -7.864 1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -6.458 -8.372 2.984 1.00 0.00 H new ATOM 908 N SER A 485 -8.275 -7.303 7.663 1.00 0.00 N ATOM 909 CA SER A 485 -7.598 -6.649 8.778 1.00 0.00 C ATOM 910 C SER A 485 -6.532 -5.672 8.292 1.00 0.00 C ATOM 911 O SER A 485 -5.978 -5.832 7.206 1.00 0.00 O ATOM 912 CB SER A 485 -6.943 -7.691 9.676 1.00 0.00 C ATOM 913 OG SER A 485 -7.315 -7.507 11.030 1.00 0.00 O ATOM 0 H SER A 485 -8.304 -8.320 7.730 1.00 0.00 H new ATOM 0 HA SER A 485 -8.351 -6.092 9.336 1.00 0.00 H new ATOM 0 HB2 SER A 485 -7.232 -8.690 9.349 1.00 0.00 H new ATOM 0 HB3 SER A 485 -5.859 -7.626 9.582 1.00 0.00 H new ATOM 0 HG SER A 485 -6.882 -8.190 11.584 1.00 0.00 H new ATOM 919 N SER A 486 -6.231 -4.677 9.121 1.00 0.00 N ATOM 920 CA SER A 486 -5.209 -3.697 8.786 1.00 0.00 C ATOM 921 C SER A 486 -3.856 -4.383 8.641 1.00 0.00 C ATOM 922 O SER A 486 -2.959 -3.882 7.963 1.00 0.00 O ATOM 923 CB SER A 486 -5.136 -2.610 9.860 1.00 0.00 C ATOM 924 OG SER A 486 -4.504 -3.094 11.033 1.00 0.00 O ATOM 0 H SER A 486 -6.679 -4.530 10.025 1.00 0.00 H new ATOM 0 HA SER A 486 -5.473 -3.229 7.838 1.00 0.00 H new ATOM 0 HB2 SER A 486 -4.587 -1.751 9.475 1.00 0.00 H new ATOM 0 HB3 SER A 486 -6.141 -2.264 10.101 1.00 0.00 H new ATOM 0 HG SER A 486 -4.468 -2.380 11.704 1.00 0.00 H new ATOM 930 N GLU A 487 -3.726 -5.541 9.284 1.00 0.00 N ATOM 931 CA GLU A 487 -2.499 -6.317 9.234 1.00 0.00 C ATOM 932 C GLU A 487 -2.505 -7.248 8.033 1.00 0.00 C ATOM 933 O GLU A 487 -1.568 -7.264 7.236 1.00 0.00 O ATOM 934 CB GLU A 487 -2.330 -7.126 10.522 1.00 0.00 C ATOM 935 CG GLU A 487 -2.666 -6.345 11.782 1.00 0.00 C ATOM 936 CD GLU A 487 -2.010 -6.925 13.020 1.00 0.00 C ATOM 937 OE1 GLU A 487 -1.613 -8.108 12.981 1.00 0.00 O ATOM 938 OE2 GLU A 487 -1.897 -6.196 14.028 1.00 0.00 O ATOM 0 H GLU A 487 -4.464 -5.961 9.849 1.00 0.00 H new ATOM 0 HA GLU A 487 -1.661 -5.627 9.137 1.00 0.00 H new ATOM 0 HB2 GLU A 487 -2.967 -8.009 10.472 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -1.301 -7.478 10.587 1.00 0.00 H new ATOM 0 HG2 GLU A 487 -2.349 -5.310 11.659 1.00 0.00 H new ATOM 0 HG3 GLU A 487 -3.747 -6.333 11.920 1.00 0.00 H new ATOM 945 N GLN A 488 -3.575 -8.016 7.915 1.00 0.00 N ATOM 946 CA GLN A 488 -3.725 -8.955 6.811 1.00 0.00 C ATOM 947 C GLN A 488 -3.752 -8.211 5.483 1.00 0.00 C ATOM 948 O GLN A 488 -3.129 -8.640 4.512 1.00 0.00 O ATOM 949 CB GLN A 488 -4.997 -9.788 6.976 1.00 0.00 C ATOM 950 CG GLN A 488 -4.751 -11.285 6.892 1.00 0.00 C ATOM 951 CD GLN A 488 -5.992 -12.099 7.200 1.00 0.00 C ATOM 952 OE1 GLN A 488 -6.018 -12.876 8.154 1.00 0.00 O ATOM 953 NE2 GLN A 488 -7.031 -11.923 6.390 1.00 0.00 N ATOM 0 H GLN A 488 -4.356 -8.009 8.571 1.00 0.00 H new ATOM 0 HA GLN A 488 -2.869 -9.630 6.819 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -5.453 -9.555 7.938 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -5.713 -9.501 6.206 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -4.396 -11.535 5.892 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -3.959 -11.559 7.589 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -6.965 -11.268 5.611 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -7.894 -12.443 6.548 1.00 0.00 H new ATOM 962 N THR A 489 -4.462 -7.082 5.448 1.00 0.00 N ATOM 963 CA THR A 489 -4.541 -6.277 4.234 1.00 0.00 C ATOM 964 C THR A 489 -3.141 -6.053 3.683 1.00 0.00 C ATOM 965 O THR A 489 -2.918 -6.109 2.475 1.00 0.00 O ATOM 966 CB THR A 489 -5.214 -4.929 4.519 1.00 0.00 C ATOM 967 OG1 THR A 489 -6.557 -5.115 4.926 1.00 0.00 O ATOM 968 CG2 THR A 489 -5.224 -3.996 3.323 1.00 0.00 C ATOM 0 H THR A 489 -4.985 -6.709 6.240 1.00 0.00 H new ATOM 0 HA THR A 489 -5.142 -6.810 3.498 1.00 0.00 H new ATOM 0 HB THR A 489 -4.619 -4.473 5.310 1.00 0.00 H new ATOM 0 HG1 THR A 489 -6.619 -5.025 5.900 1.00 0.00 H new ATOM 0 HG21 THR A 489 -5.715 -3.061 3.595 1.00 0.00 H new ATOM 0 HG22 THR A 489 -4.199 -3.791 3.013 1.00 0.00 H new ATOM 0 HG23 THR A 489 -5.765 -4.464 2.501 1.00 0.00 H new ATOM 976 N VAL A 490 -2.201 -5.823 4.594 1.00 0.00 N ATOM 977 CA VAL A 490 -0.800 -5.607 4.231 1.00 0.00 C ATOM 978 C VAL A 490 -0.203 -6.877 3.643 1.00 0.00 C ATOM 979 O VAL A 490 0.410 -6.858 2.576 1.00 0.00 O ATOM 980 CB VAL A 490 0.046 -5.197 5.453 1.00 0.00 C ATOM 981 CG1 VAL A 490 1.311 -4.475 5.015 1.00 0.00 C ATOM 982 CG2 VAL A 490 -0.760 -4.337 6.414 1.00 0.00 C ATOM 0 H VAL A 490 -2.384 -5.781 5.597 1.00 0.00 H new ATOM 0 HA VAL A 490 -0.782 -4.802 3.496 1.00 0.00 H new ATOM 0 HB VAL A 490 0.336 -6.106 5.980 1.00 0.00 H new ATOM 0 HG11 VAL A 490 1.893 -4.195 5.893 1.00 0.00 H new ATOM 0 HG12 VAL A 490 1.905 -5.134 4.381 1.00 0.00 H new ATOM 0 HG13 VAL A 490 1.043 -3.578 4.456 1.00 0.00 H new ATOM 0 HG21 VAL A 490 -0.138 -4.063 7.266 1.00 0.00 H new ATOM 0 HG22 VAL A 490 -1.093 -3.434 5.902 1.00 0.00 H new ATOM 0 HG23 VAL A 490 -1.628 -4.897 6.763 1.00 0.00 H new ATOM 992 N ASN A 491 -0.394 -7.984 4.353 1.00 0.00 N ATOM 993 CA ASN A 491 0.112 -9.282 3.919 1.00 0.00 C ATOM 994 C ASN A 491 -0.300 -9.569 2.476 1.00 0.00 C ATOM 995 O ASN A 491 0.394 -10.283 1.751 1.00 0.00 O ATOM 996 CB ASN A 491 -0.404 -10.371 4.872 1.00 0.00 C ATOM 997 CG ASN A 491 -0.677 -11.698 4.185 1.00 0.00 C ATOM 998 OD1 ASN A 491 0.237 -12.352 3.680 1.00 0.00 O ATOM 999 ND2 ASN A 491 -1.943 -12.100 4.165 1.00 0.00 N ATOM 0 H ASN A 491 -0.900 -8.008 5.239 1.00 0.00 H new ATOM 0 HA ASN A 491 1.202 -9.274 3.950 1.00 0.00 H new ATOM 0 HB2 ASN A 491 0.328 -10.525 5.665 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -1.320 -10.022 5.348 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -2.191 -12.983 3.719 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -2.667 -11.526 4.596 1.00 0.00 H new ATOM 1006 N VAL A 492 -1.428 -9.002 2.069 1.00 0.00 N ATOM 1007 CA VAL A 492 -1.934 -9.184 0.716 1.00 0.00 C ATOM 1008 C VAL A 492 -1.643 -7.958 -0.147 1.00 0.00 C ATOM 1009 O VAL A 492 -1.765 -8.005 -1.367 1.00 0.00 O ATOM 1010 CB VAL A 492 -3.451 -9.445 0.726 1.00 0.00 C ATOM 1011 CG1 VAL A 492 -4.182 -8.287 1.390 1.00 0.00 C ATOM 1012 CG2 VAL A 492 -3.970 -9.676 -0.687 1.00 0.00 C ATOM 0 H VAL A 492 -2.012 -8.410 2.660 1.00 0.00 H new ATOM 0 HA VAL A 492 -1.423 -10.049 0.293 1.00 0.00 H new ATOM 0 HB VAL A 492 -3.642 -10.349 1.304 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -5.254 -8.485 1.390 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -3.833 -8.178 2.417 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -3.983 -7.368 0.839 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -5.044 -9.858 -0.655 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -3.770 -8.795 -1.297 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -3.468 -10.540 -1.122 1.00 0.00 H new ATOM 1022 N LEU A 493 -1.264 -6.858 0.491 1.00 0.00 N ATOM 1023 CA LEU A 493 -0.964 -5.635 -0.226 1.00 0.00 C ATOM 1024 C LEU A 493 0.510 -5.585 -0.622 1.00 0.00 C ATOM 1025 O LEU A 493 0.850 -5.177 -1.733 1.00 0.00 O ATOM 1026 CB LEU A 493 -1.321 -4.415 0.629 1.00 0.00 C ATOM 1027 CG LEU A 493 -2.223 -3.383 -0.046 1.00 0.00 C ATOM 1028 CD1 LEU A 493 -2.331 -2.133 0.805 1.00 0.00 C ATOM 1029 CD2 LEU A 493 -1.694 -3.031 -1.417 1.00 0.00 C ATOM 0 H LEU A 493 -1.158 -6.792 1.503 1.00 0.00 H new ATOM 0 HA LEU A 493 -1.565 -5.618 -1.135 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -1.811 -4.761 1.539 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -0.397 -3.922 0.932 1.00 0.00 H new ATOM 0 HG LEU A 493 -3.216 -3.819 -0.155 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -2.977 -1.409 0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -2.753 -2.390 1.777 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -1.340 -1.700 0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -2.350 -2.295 -1.882 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -0.690 -2.616 -1.324 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -1.660 -3.928 -2.035 1.00 0.00 H new ATOM 1041 N ALA A 494 1.381 -6.009 0.291 1.00 0.00 N ATOM 1042 CA ALA A 494 2.819 -6.017 0.035 1.00 0.00 C ATOM 1043 C ALA A 494 3.128 -6.704 -1.287 1.00 0.00 C ATOM 1044 O ALA A 494 3.979 -6.253 -2.054 1.00 0.00 O ATOM 1045 CB ALA A 494 3.559 -6.708 1.172 1.00 0.00 C ATOM 0 H ALA A 494 1.116 -6.351 1.215 1.00 0.00 H new ATOM 0 HA ALA A 494 3.158 -4.983 -0.026 1.00 0.00 H new ATOM 0 HB1 ALA A 494 4.629 -6.705 0.965 1.00 0.00 H new ATOM 0 HB2 ALA A 494 3.369 -6.178 2.105 1.00 0.00 H new ATOM 0 HB3 ALA A 494 3.210 -7.737 1.261 1.00 0.00 H new ATOM 1051 N GLN A 495 2.430 -7.804 -1.543 1.00 0.00 N ATOM 1052 CA GLN A 495 2.617 -8.566 -2.763 1.00 0.00 C ATOM 1053 C GLN A 495 2.185 -7.766 -3.991 1.00 0.00 C ATOM 1054 O GLN A 495 2.834 -7.813 -5.036 1.00 0.00 O ATOM 1055 CB GLN A 495 1.836 -9.876 -2.681 1.00 0.00 C ATOM 1056 CG GLN A 495 0.488 -9.740 -2.012 1.00 0.00 C ATOM 1057 CD GLN A 495 -0.638 -10.344 -2.827 1.00 0.00 C ATOM 1058 OE1 GLN A 495 -0.654 -11.546 -3.094 1.00 0.00 O ATOM 1059 NE2 GLN A 495 -1.586 -9.508 -3.226 1.00 0.00 N ATOM 0 H GLN A 495 1.725 -8.187 -0.914 1.00 0.00 H new ATOM 0 HA GLN A 495 3.679 -8.786 -2.868 1.00 0.00 H new ATOM 0 HB2 GLN A 495 1.694 -10.267 -3.688 1.00 0.00 H new ATOM 0 HB3 GLN A 495 2.430 -10.609 -2.135 1.00 0.00 H new ATOM 0 HG2 GLN A 495 0.522 -10.223 -1.035 1.00 0.00 H new ATOM 0 HG3 GLN A 495 0.279 -8.684 -1.839 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -1.531 -8.520 -2.981 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -2.371 -9.853 -3.778 1.00 0.00 H new ATOM 1068 N ILE A 496 1.082 -7.040 -3.856 1.00 0.00 N ATOM 1069 CA ILE A 496 0.549 -6.235 -4.951 1.00 0.00 C ATOM 1070 C ILE A 496 1.358 -4.953 -5.164 1.00 0.00 C ATOM 1071 O ILE A 496 1.572 -4.530 -6.300 1.00 0.00 O ATOM 1072 CB ILE A 496 -0.930 -5.865 -4.697 1.00 0.00 C ATOM 1073 CG1 ILE A 496 -1.836 -7.054 -5.012 1.00 0.00 C ATOM 1074 CG2 ILE A 496 -1.342 -4.657 -5.528 1.00 0.00 C ATOM 1075 CD1 ILE A 496 -3.078 -7.111 -4.148 1.00 0.00 C ATOM 0 H ILE A 496 0.536 -6.991 -2.996 1.00 0.00 H new ATOM 0 HA ILE A 496 0.623 -6.845 -5.851 1.00 0.00 H new ATOM 0 HB ILE A 496 -1.037 -5.607 -3.643 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -2.133 -7.007 -6.060 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -1.270 -7.977 -4.883 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -2.387 -4.418 -5.330 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -0.718 -3.803 -5.263 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -1.216 -4.884 -6.587 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -3.675 -7.980 -4.426 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -2.789 -7.190 -3.100 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -3.666 -6.205 -4.295 1.00 0.00 H new ATOM 1087 N LEU A 497 1.785 -4.330 -4.068 1.00 0.00 N ATOM 1088 CA LEU A 497 2.547 -3.086 -4.128 1.00 0.00 C ATOM 1089 C LEU A 497 3.618 -3.123 -5.224 1.00 0.00 C ATOM 1090 O LEU A 497 3.608 -2.299 -6.138 1.00 0.00 O ATOM 1091 CB LEU A 497 3.193 -2.812 -2.769 1.00 0.00 C ATOM 1092 CG LEU A 497 2.472 -1.790 -1.884 1.00 0.00 C ATOM 1093 CD1 LEU A 497 2.350 -0.439 -2.577 1.00 0.00 C ATOM 1094 CD2 LEU A 497 1.105 -2.310 -1.490 1.00 0.00 C ATOM 0 H LEU A 497 1.614 -4.670 -3.122 1.00 0.00 H new ATOM 0 HA LEU A 497 1.855 -2.281 -4.376 1.00 0.00 H new ATOM 0 HB2 LEU A 497 3.261 -3.753 -2.224 1.00 0.00 H new ATOM 0 HB3 LEU A 497 4.213 -2.465 -2.936 1.00 0.00 H new ATOM 0 HG LEU A 497 3.069 -1.646 -0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 497 1.834 0.261 -1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 497 3.345 -0.056 -2.806 1.00 0.00 H new ATOM 0 HD13 LEU A 497 1.784 -0.554 -3.502 1.00 0.00 H new ATOM 0 HD21 LEU A 497 0.603 -1.574 -0.861 1.00 0.00 H new ATOM 0 HD22 LEU A 497 0.511 -2.487 -2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 497 1.216 -3.243 -0.938 1.00 0.00 H new ATOM 1106 N LYS A 498 4.549 -4.068 -5.116 1.00 0.00 N ATOM 1107 CA LYS A 498 5.633 -4.189 -6.090 1.00 0.00 C ATOM 1108 C LYS A 498 5.098 -4.433 -7.493 1.00 0.00 C ATOM 1109 O LYS A 498 5.721 -4.048 -8.482 1.00 0.00 O ATOM 1110 CB LYS A 498 6.595 -5.311 -5.692 1.00 0.00 C ATOM 1111 CG LYS A 498 5.979 -6.701 -5.753 1.00 0.00 C ATOM 1112 CD LYS A 498 5.411 -7.128 -4.408 1.00 0.00 C ATOM 1113 CE LYS A 498 6.465 -7.063 -3.307 1.00 0.00 C ATOM 1114 NZ LYS A 498 6.198 -8.051 -2.226 1.00 0.00 N ATOM 0 H LYS A 498 4.576 -4.759 -4.367 1.00 0.00 H new ATOM 0 HA LYS A 498 6.175 -3.243 -6.094 1.00 0.00 H new ATOM 0 HB2 LYS A 498 7.465 -5.281 -6.348 1.00 0.00 H new ATOM 0 HB3 LYS A 498 6.953 -5.127 -4.679 1.00 0.00 H new ATOM 0 HG2 LYS A 498 5.188 -6.715 -6.502 1.00 0.00 H new ATOM 0 HG3 LYS A 498 6.734 -7.419 -6.073 1.00 0.00 H new ATOM 0 HD2 LYS A 498 4.571 -6.485 -4.147 1.00 0.00 H new ATOM 0 HD3 LYS A 498 5.024 -8.144 -4.482 1.00 0.00 H new ATOM 0 HE2 LYS A 498 7.450 -7.250 -3.735 1.00 0.00 H new ATOM 0 HE3 LYS A 498 6.487 -6.059 -2.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 7.036 -8.134 -1.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 5.387 -7.733 -1.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 5.984 -8.977 -2.647 1.00 0.00 H new ATOM 1128 N ARG A 499 3.939 -5.063 -7.572 1.00 0.00 N ATOM 1129 CA ARG A 499 3.314 -5.348 -8.856 1.00 0.00 C ATOM 1130 C ARG A 499 3.045 -4.057 -9.620 1.00 0.00 C ATOM 1131 O ARG A 499 2.990 -4.044 -10.849 1.00 0.00 O ATOM 1132 CB ARG A 499 2.005 -6.103 -8.645 1.00 0.00 C ATOM 1133 CG ARG A 499 1.704 -7.105 -9.743 1.00 0.00 C ATOM 1134 CD ARG A 499 1.985 -8.527 -9.284 1.00 0.00 C ATOM 1135 NE ARG A 499 1.783 -9.500 -10.355 1.00 0.00 N ATOM 1136 CZ ARG A 499 2.587 -9.621 -11.408 1.00 0.00 C ATOM 1137 NH1 ARG A 499 3.648 -8.834 -11.535 1.00 0.00 N ATOM 1138 NH2 ARG A 499 2.331 -10.532 -12.336 1.00 0.00 N ATOM 0 H ARG A 499 3.410 -5.388 -6.763 1.00 0.00 H new ATOM 0 HA ARG A 499 3.996 -5.965 -9.441 1.00 0.00 H new ATOM 0 HB2 ARG A 499 2.045 -6.624 -7.689 1.00 0.00 H new ATOM 0 HB3 ARG A 499 1.186 -5.386 -8.583 1.00 0.00 H new ATOM 0 HG2 ARG A 499 0.660 -7.017 -10.043 1.00 0.00 H new ATOM 0 HG3 ARG A 499 2.308 -6.878 -10.621 1.00 0.00 H new ATOM 0 HD2 ARG A 499 3.011 -8.595 -8.922 1.00 0.00 H new ATOM 0 HD3 ARG A 499 1.334 -8.772 -8.445 1.00 0.00 H new ATOM 0 HE ARG A 499 0.978 -10.123 -10.292 1.00 0.00 H new ATOM 0 HH11 ARG A 499 3.850 -8.132 -10.823 1.00 0.00 H new ATOM 0 HH12 ARG A 499 4.261 -8.931 -12.344 1.00 0.00 H new ATOM 0 HH21 ARG A 499 1.518 -11.140 -12.243 1.00 0.00 H new ATOM 0 HH22 ARG A 499 2.947 -10.625 -13.143 1.00 0.00 H new ATOM 1152 N LEU A 500 2.870 -2.974 -8.872 1.00 0.00 N ATOM 1153 CA LEU A 500 2.594 -1.669 -9.455 1.00 0.00 C ATOM 1154 C LEU A 500 3.719 -1.211 -10.368 1.00 0.00 C ATOM 1155 O LEU A 500 3.480 -0.749 -11.484 1.00 0.00 O ATOM 1156 CB LEU A 500 2.381 -0.644 -8.342 1.00 0.00 C ATOM 1157 CG LEU A 500 1.318 -1.030 -7.313 1.00 0.00 C ATOM 1158 CD1 LEU A 500 1.328 -0.062 -6.141 1.00 0.00 C ATOM 1159 CD2 LEU A 500 -0.054 -1.076 -7.968 1.00 0.00 C ATOM 0 H LEU A 500 2.915 -2.976 -7.853 1.00 0.00 H new ATOM 0 HA LEU A 500 1.690 -1.756 -10.059 1.00 0.00 H new ATOM 0 HB2 LEU A 500 3.328 -0.487 -7.825 1.00 0.00 H new ATOM 0 HB3 LEU A 500 2.102 0.309 -8.792 1.00 0.00 H new ATOM 0 HG LEU A 500 1.550 -2.023 -6.928 1.00 0.00 H new ATOM 0 HD11 LEU A 500 0.564 -0.355 -5.421 1.00 0.00 H new ATOM 0 HD12 LEU A 500 2.306 -0.082 -5.661 1.00 0.00 H new ATOM 0 HD13 LEU A 500 1.121 0.946 -6.500 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -0.803 -1.352 -7.225 1.00 0.00 H new ATOM 0 HD22 LEU A 500 -0.294 -0.095 -8.378 1.00 0.00 H new ATOM 0 HD23 LEU A 500 -0.050 -1.814 -8.770 1.00 0.00 H new ATOM 1171 N ASN A 501 4.941 -1.330 -9.882 1.00 0.00 N ATOM 1172 CA ASN A 501 6.108 -0.917 -10.643 1.00 0.00 C ATOM 1173 C ASN A 501 5.980 0.557 -11.025 1.00 0.00 C ATOM 1174 O ASN A 501 5.996 0.912 -12.202 1.00 0.00 O ATOM 1175 CB ASN A 501 6.254 -1.792 -11.888 1.00 0.00 C ATOM 1176 CG ASN A 501 7.383 -1.352 -12.793 1.00 0.00 C ATOM 1177 OD1 ASN A 501 7.184 -0.578 -13.728 1.00 0.00 O ATOM 1178 ND2 ASN A 501 8.578 -1.854 -12.518 1.00 0.00 N ATOM 0 H ASN A 501 5.152 -1.711 -8.960 1.00 0.00 H new ATOM 0 HA ASN A 501 7.002 -1.039 -10.032 1.00 0.00 H new ATOM 0 HB2 ASN A 501 6.423 -2.824 -11.582 1.00 0.00 H new ATOM 0 HB3 ASN A 501 5.319 -1.775 -12.448 1.00 0.00 H new ATOM 0 HD21 ASN A 501 9.382 -1.602 -13.093 1.00 0.00 H new ATOM 0 HD22 ASN A 501 8.694 -2.493 -11.731 1.00 0.00 H new ATOM 1185 N PRO A 502 5.842 1.436 -10.017 1.00 0.00 N ATOM 1186 CA PRO A 502 5.701 2.861 -10.201 1.00 0.00 C ATOM 1187 C PRO A 502 7.006 3.588 -9.935 1.00 0.00 C ATOM 1188 O PRO A 502 8.081 2.986 -9.957 1.00 0.00 O ATOM 1189 CB PRO A 502 4.668 3.202 -9.127 1.00 0.00 C ATOM 1190 CG PRO A 502 4.886 2.192 -8.034 1.00 0.00 C ATOM 1191 CD PRO A 502 5.806 1.127 -8.587 1.00 0.00 C ATOM 0 HA PRO A 502 5.417 3.148 -11.214 1.00 0.00 H new ATOM 0 HB2 PRO A 502 4.805 4.218 -8.757 1.00 0.00 H new ATOM 0 HB3 PRO A 502 3.654 3.141 -9.523 1.00 0.00 H new ATOM 0 HG2 PRO A 502 5.328 2.664 -7.156 1.00 0.00 H new ATOM 0 HG3 PRO A 502 3.938 1.756 -7.718 1.00 0.00 H new ATOM 0 HD2 PRO A 502 6.798 1.177 -8.138 1.00 0.00 H new ATOM 0 HD3 PRO A 502 5.422 0.124 -8.400 1.00 0.00 H new ATOM 1199 N GLU A 503 6.909 4.876 -9.665 1.00 0.00 N ATOM 1200 CA GLU A 503 8.072 5.678 -9.373 1.00 0.00 C ATOM 1201 C GLU A 503 7.974 6.239 -7.963 1.00 0.00 C ATOM 1202 O GLU A 503 6.890 6.604 -7.507 1.00 0.00 O ATOM 1203 CB GLU A 503 8.205 6.800 -10.394 1.00 0.00 C ATOM 1204 CG GLU A 503 9.271 6.530 -11.442 1.00 0.00 C ATOM 1205 CD GLU A 503 10.484 7.426 -11.284 1.00 0.00 C ATOM 1206 OE1 GLU A 503 11.366 7.092 -10.464 1.00 0.00 O ATOM 1207 OE2 GLU A 503 10.552 8.462 -11.979 1.00 0.00 O ATOM 0 H GLU A 503 6.027 5.388 -9.643 1.00 0.00 H new ATOM 0 HA GLU A 503 8.963 5.053 -9.435 1.00 0.00 H new ATOM 0 HB2 GLU A 503 7.246 6.947 -10.890 1.00 0.00 H new ATOM 0 HB3 GLU A 503 8.441 7.729 -9.875 1.00 0.00 H new ATOM 0 HG2 GLU A 503 9.583 5.488 -11.377 1.00 0.00 H new ATOM 0 HG3 GLU A 503 8.844 6.674 -12.435 1.00 0.00 H new ATOM 1214 N ARG A 504 9.099 6.290 -7.269 1.00 0.00 N ATOM 1215 CA ARG A 504 9.114 6.789 -5.904 1.00 0.00 C ATOM 1216 C ARG A 504 9.101 8.311 -5.871 1.00 0.00 C ATOM 1217 O ARG A 504 9.826 8.973 -6.614 1.00 0.00 O ATOM 1218 CB ARG A 504 10.328 6.254 -5.151 1.00 0.00 C ATOM 1219 CG ARG A 504 11.655 6.754 -5.696 1.00 0.00 C ATOM 1220 CD ARG A 504 12.165 7.951 -4.909 1.00 0.00 C ATOM 1221 NE ARG A 504 13.622 7.957 -4.804 1.00 0.00 N ATOM 1222 CZ ARG A 504 14.337 9.032 -4.478 1.00 0.00 C ATOM 1223 NH1 ARG A 504 13.735 10.186 -4.224 1.00 0.00 N ATOM 1224 NH2 ARG A 504 15.659 8.951 -4.405 1.00 0.00 N ATOM 0 H ARG A 504 10.008 5.994 -7.625 1.00 0.00 H new ATOM 0 HA ARG A 504 8.210 6.433 -5.411 1.00 0.00 H new ATOM 0 HB2 ARG A 504 10.247 6.537 -4.101 1.00 0.00 H new ATOM 0 HB3 ARG A 504 10.317 5.165 -5.189 1.00 0.00 H new ATOM 0 HG2 ARG A 504 12.391 5.951 -5.657 1.00 0.00 H new ATOM 0 HG3 ARG A 504 11.539 7.029 -6.744 1.00 0.00 H new ATOM 0 HD2 ARG A 504 11.833 8.870 -5.391 1.00 0.00 H new ATOM 0 HD3 ARG A 504 11.730 7.940 -3.910 1.00 0.00 H new ATOM 0 HE ARG A 504 14.121 7.087 -4.991 1.00 0.00 H new ATOM 0 HH11 ARG A 504 12.719 10.254 -4.278 1.00 0.00 H new ATOM 0 HH12 ARG A 504 14.288 11.006 -3.975 1.00 0.00 H new ATOM 0 HH21 ARG A 504 16.127 8.066 -4.599 1.00 0.00 H new ATOM 0 HH22 ARG A 504 16.207 9.774 -4.155 1.00 0.00 H new ATOM 1238 N LYS A 505 8.266 8.849 -4.995 1.00 0.00 N ATOM 1239 CA LYS A 505 8.127 10.291 -4.832 1.00 0.00 C ATOM 1240 C LYS A 505 7.610 10.602 -3.434 1.00 0.00 C ATOM 1241 O LYS A 505 6.681 9.954 -2.952 1.00 0.00 O ATOM 1242 CB LYS A 505 7.170 10.871 -5.879 1.00 0.00 C ATOM 1243 CG LYS A 505 7.219 10.161 -7.224 1.00 0.00 C ATOM 1244 CD LYS A 505 6.217 10.750 -8.204 1.00 0.00 C ATOM 1245 CE LYS A 505 4.791 10.597 -7.702 1.00 0.00 C ATOM 1246 NZ LYS A 505 3.798 11.116 -8.681 1.00 0.00 N ATOM 0 H LYS A 505 7.666 8.301 -4.378 1.00 0.00 H new ATOM 0 HA LYS A 505 9.106 10.749 -4.971 1.00 0.00 H new ATOM 0 HB2 LYS A 505 6.152 10.823 -5.492 1.00 0.00 H new ATOM 0 HB3 LYS A 505 7.406 11.925 -6.027 1.00 0.00 H new ATOM 0 HG2 LYS A 505 8.224 10.237 -7.640 1.00 0.00 H new ATOM 0 HG3 LYS A 505 7.012 9.100 -7.084 1.00 0.00 H new ATOM 0 HD2 LYS A 505 6.437 11.806 -8.361 1.00 0.00 H new ATOM 0 HD3 LYS A 505 6.319 10.256 -9.171 1.00 0.00 H new ATOM 0 HE2 LYS A 505 4.588 9.545 -7.502 1.00 0.00 H new ATOM 0 HE3 LYS A 505 4.680 11.128 -6.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 2.838 10.993 -8.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 3.975 12.126 -8.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 3.886 10.592 -9.575 1.00 0.00 H new ATOM 1260 N MET A 506 8.217 11.582 -2.778 1.00 0.00 N ATOM 1261 CA MET A 506 7.807 11.946 -1.430 1.00 0.00 C ATOM 1262 C MET A 506 6.604 12.885 -1.442 1.00 0.00 C ATOM 1263 O MET A 506 6.713 14.050 -1.822 1.00 0.00 O ATOM 1264 CB MET A 506 8.965 12.589 -0.665 1.00 0.00 C ATOM 1265 CG MET A 506 9.403 13.933 -1.223 1.00 0.00 C ATOM 1266 SD MET A 506 11.022 14.440 -0.611 1.00 0.00 S ATOM 1267 CE MET A 506 10.830 14.165 1.150 1.00 0.00 C ATOM 0 H MET A 506 8.988 12.134 -3.154 1.00 0.00 H new ATOM 0 HA MET A 506 7.514 11.027 -0.922 1.00 0.00 H new ATOM 0 HB2 MET A 506 8.672 12.718 0.377 1.00 0.00 H new ATOM 0 HB3 MET A 506 9.816 11.908 -0.675 1.00 0.00 H new ATOM 0 HG2 MET A 506 9.430 13.880 -2.311 1.00 0.00 H new ATOM 0 HG3 MET A 506 8.665 14.690 -0.959 1.00 0.00 H new ATOM 0 HE1 MET A 506 10.726 15.123 1.659 1.00 0.00 H new ATOM 0 HE2 MET A 506 9.941 13.560 1.329 1.00 0.00 H new ATOM 0 HE3 MET A 506 11.707 13.644 1.535 1.00 0.00 H new ATOM 1277 N ILE A 507 5.462 12.367 -1.000 1.00 0.00 N ATOM 1278 CA ILE A 507 4.236 13.152 -0.933 1.00 0.00 C ATOM 1279 C ILE A 507 4.127 13.822 0.433 1.00 0.00 C ATOM 1280 O ILE A 507 3.934 13.153 1.449 1.00 0.00 O ATOM 1281 CB ILE A 507 2.980 12.268 -1.173 1.00 0.00 C ATOM 1282 CG1 ILE A 507 2.814 11.891 -2.659 1.00 0.00 C ATOM 1283 CG2 ILE A 507 1.728 12.971 -0.670 1.00 0.00 C ATOM 1284 CD1 ILE A 507 3.611 12.745 -3.622 1.00 0.00 C ATOM 0 H ILE A 507 5.361 11.403 -0.682 1.00 0.00 H new ATOM 0 HA ILE A 507 4.279 13.907 -1.718 1.00 0.00 H new ATOM 0 HB ILE A 507 3.124 11.345 -0.611 1.00 0.00 H new ATOM 0 HG12 ILE A 507 3.107 10.849 -2.790 1.00 0.00 H new ATOM 0 HG13 ILE A 507 1.758 11.960 -2.921 1.00 0.00 H new ATOM 0 HG21 ILE A 507 0.859 12.337 -0.847 1.00 0.00 H new ATOM 0 HG22 ILE A 507 1.824 13.166 0.398 1.00 0.00 H new ATOM 0 HG23 ILE A 507 1.602 13.915 -1.201 1.00 0.00 H new ATOM 0 HD11 ILE A 507 3.432 12.407 -4.643 1.00 0.00 H new ATOM 0 HD12 ILE A 507 3.303 13.786 -3.525 1.00 0.00 H new ATOM 0 HD13 ILE A 507 4.673 12.658 -3.392 1.00 0.00 H new ATOM 1296 N ASN A 508 4.260 15.143 0.455 1.00 0.00 N ATOM 1297 CA ASN A 508 4.185 15.892 1.702 1.00 0.00 C ATOM 1298 C ASN A 508 5.280 15.439 2.663 1.00 0.00 C ATOM 1299 O ASN A 508 5.059 15.334 3.869 1.00 0.00 O ATOM 1300 CB ASN A 508 2.811 15.711 2.350 1.00 0.00 C ATOM 1301 CG ASN A 508 2.531 16.756 3.413 1.00 0.00 C ATOM 1302 OD1 ASN A 508 2.783 17.945 3.212 1.00 0.00 O ATOM 1303 ND2 ASN A 508 2.007 16.318 4.552 1.00 0.00 N ATOM 0 H ASN A 508 4.420 15.715 -0.374 1.00 0.00 H new ATOM 0 HA ASN A 508 4.332 16.949 1.478 1.00 0.00 H new ATOM 0 HB2 ASN A 508 2.040 15.763 1.581 1.00 0.00 H new ATOM 0 HB3 ASN A 508 2.750 14.718 2.796 1.00 0.00 H new ATOM 0 HD21 ASN A 508 1.797 16.976 5.303 1.00 0.00 H new ATOM 0 HD22 ASN A 508 1.814 15.324 4.676 1.00 0.00 H new ATOM 1310 N ASP A 509 6.462 15.167 2.112 1.00 0.00 N ATOM 1311 CA ASP A 509 7.606 14.719 2.903 1.00 0.00 C ATOM 1312 C ASP A 509 7.495 13.235 3.254 1.00 0.00 C ATOM 1313 O ASP A 509 8.247 12.732 4.087 1.00 0.00 O ATOM 1314 CB ASP A 509 7.740 15.548 4.184 1.00 0.00 C ATOM 1315 CG ASP A 509 9.187 15.817 4.550 1.00 0.00 C ATOM 1316 OD1 ASP A 509 10.037 14.937 4.297 1.00 0.00 O ATOM 1317 OD2 ASP A 509 9.471 16.907 5.089 1.00 0.00 O ATOM 0 H ASP A 509 6.652 15.250 1.113 1.00 0.00 H new ATOM 0 HA ASP A 509 8.498 14.862 2.294 1.00 0.00 H new ATOM 0 HB2 ASP A 509 7.218 16.496 4.056 1.00 0.00 H new ATOM 0 HB3 ASP A 509 7.252 15.024 5.006 1.00 0.00 H new ATOM 1322 N LYS A 510 6.558 12.537 2.615 1.00 0.00 N ATOM 1323 CA LYS A 510 6.366 11.113 2.869 1.00 0.00 C ATOM 1324 C LYS A 510 6.660 10.286 1.626 1.00 0.00 C ATOM 1325 O LYS A 510 6.081 10.517 0.568 1.00 0.00 O ATOM 1326 CB LYS A 510 4.938 10.836 3.335 1.00 0.00 C ATOM 1327 CG LYS A 510 4.778 9.464 3.968 1.00 0.00 C ATOM 1328 CD LYS A 510 4.948 9.520 5.480 1.00 0.00 C ATOM 1329 CE LYS A 510 6.264 10.172 5.875 1.00 0.00 C ATOM 1330 NZ LYS A 510 7.436 9.337 5.496 1.00 0.00 N ATOM 0 H LYS A 510 5.924 12.933 1.921 1.00 0.00 H new ATOM 0 HA LYS A 510 7.065 10.825 3.655 1.00 0.00 H new ATOM 0 HB2 LYS A 510 4.642 11.599 4.054 1.00 0.00 H new ATOM 0 HB3 LYS A 510 4.261 10.919 2.485 1.00 0.00 H new ATOM 0 HG2 LYS A 510 3.793 9.064 3.727 1.00 0.00 H new ATOM 0 HG3 LYS A 510 5.513 8.779 3.544 1.00 0.00 H new ATOM 0 HD2 LYS A 510 4.120 10.077 5.919 1.00 0.00 H new ATOM 0 HD3 LYS A 510 4.905 8.510 5.889 1.00 0.00 H new ATOM 0 HE2 LYS A 510 6.344 11.147 5.395 1.00 0.00 H new ATOM 0 HE3 LYS A 510 6.275 10.344 6.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 8.302 9.911 5.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 7.516 8.533 6.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 7.310 8.982 4.526 1.00 0.00 H new ATOM 1344 N MET A 511 7.552 9.310 1.760 1.00 0.00 N ATOM 1345 CA MET A 511 7.906 8.452 0.639 1.00 0.00 C ATOM 1346 C MET A 511 6.671 7.753 0.075 1.00 0.00 C ATOM 1347 O MET A 511 6.108 6.857 0.703 1.00 0.00 O ATOM 1348 CB MET A 511 8.945 7.413 1.073 1.00 0.00 C ATOM 1349 CG MET A 511 10.297 7.588 0.401 1.00 0.00 C ATOM 1350 SD MET A 511 10.552 6.433 -0.961 1.00 0.00 S ATOM 1351 CE MET A 511 8.970 6.541 -1.796 1.00 0.00 C ATOM 0 H MET A 511 8.040 9.095 2.630 1.00 0.00 H new ATOM 0 HA MET A 511 8.334 9.078 -0.144 1.00 0.00 H new ATOM 0 HB2 MET A 511 9.075 7.471 2.154 1.00 0.00 H new ATOM 0 HB3 MET A 511 8.564 6.416 0.851 1.00 0.00 H new ATOM 0 HG2 MET A 511 10.383 8.608 0.028 1.00 0.00 H new ATOM 0 HG3 MET A 511 11.086 7.451 1.140 1.00 0.00 H new ATOM 0 HE1 MET A 511 9.033 6.040 -2.762 1.00 0.00 H new ATOM 0 HE2 MET A 511 8.204 6.060 -1.188 1.00 0.00 H new ATOM 0 HE3 MET A 511 8.709 7.588 -1.947 1.00 0.00 H new ATOM 1361 N HIS A 512 6.263 8.172 -1.116 1.00 0.00 N ATOM 1362 CA HIS A 512 5.104 7.606 -1.787 1.00 0.00 C ATOM 1363 C HIS A 512 5.499 7.008 -3.136 1.00 0.00 C ATOM 1364 O HIS A 512 6.292 7.588 -3.877 1.00 0.00 O ATOM 1365 CB HIS A 512 4.039 8.678 -2.006 1.00 0.00 C ATOM 1366 CG HIS A 512 3.162 8.922 -0.818 1.00 0.00 C ATOM 1367 ND1 HIS A 512 3.652 9.226 0.435 1.00 0.00 N ATOM 1368 CD2 HIS A 512 1.814 8.921 -0.701 1.00 0.00 C ATOM 1369 CE1 HIS A 512 2.640 9.402 1.269 1.00 0.00 C ATOM 1370 NE2 HIS A 512 1.516 9.222 0.604 1.00 0.00 N ATOM 0 H HIS A 512 6.727 8.913 -1.642 1.00 0.00 H new ATOM 0 HA HIS A 512 4.701 6.818 -1.151 1.00 0.00 H new ATOM 0 HB2 HIS A 512 4.530 9.612 -2.279 1.00 0.00 H new ATOM 0 HB3 HIS A 512 3.415 8.387 -2.851 1.00 0.00 H new ATOM 0 HD1 HIS A 512 4.639 9.303 0.680 1.00 0.00 H new ATOM 0 HD2 HIS A 512 1.104 8.720 -1.489 1.00 0.00 H new ATOM 0 HE1 HIS A 512 2.721 9.651 2.317 1.00 0.00 H new ATOM 1379 N PHE A 513 4.936 5.849 -3.445 1.00 0.00 N ATOM 1380 CA PHE A 513 5.213 5.161 -4.696 1.00 0.00 C ATOM 1381 C PHE A 513 4.009 5.256 -5.630 1.00 0.00 C ATOM 1382 O PHE A 513 2.898 4.884 -5.257 1.00 0.00 O ATOM 1383 CB PHE A 513 5.551 3.698 -4.405 1.00 0.00 C ATOM 1384 CG PHE A 513 5.538 3.360 -2.939 1.00 0.00 C ATOM 1385 CD1 PHE A 513 6.566 3.784 -2.113 1.00 0.00 C ATOM 1386 CD2 PHE A 513 4.494 2.637 -2.386 1.00 0.00 C ATOM 1387 CE1 PHE A 513 6.556 3.489 -0.764 1.00 0.00 C ATOM 1388 CE2 PHE A 513 4.477 2.339 -1.036 1.00 0.00 C ATOM 1389 CZ PHE A 513 5.510 2.766 -0.224 1.00 0.00 C ATOM 0 H PHE A 513 4.277 5.361 -2.838 1.00 0.00 H new ATOM 0 HA PHE A 513 6.063 5.633 -5.188 1.00 0.00 H new ATOM 0 HB2 PHE A 513 4.837 3.058 -4.924 1.00 0.00 H new ATOM 0 HB3 PHE A 513 6.536 3.473 -4.813 1.00 0.00 H new ATOM 0 HD1 PHE A 513 7.385 4.352 -2.529 1.00 0.00 H new ATOM 0 HD2 PHE A 513 3.684 2.302 -3.017 1.00 0.00 H new ATOM 0 HE1 PHE A 513 7.365 3.823 -0.132 1.00 0.00 H new ATOM 0 HE2 PHE A 513 3.658 1.774 -0.617 1.00 0.00 H new ATOM 0 HZ PHE A 513 5.500 2.535 0.831 1.00 0.00 H new ATOM 1399 N SER A 514 4.218 5.773 -6.837 1.00 0.00 N ATOM 1400 CA SER A 514 3.117 5.919 -7.781 1.00 0.00 C ATOM 1401 C SER A 514 3.580 6.306 -9.180 1.00 0.00 C ATOM 1402 O SER A 514 4.733 6.681 -9.394 1.00 0.00 O ATOM 1403 CB SER A 514 2.144 6.971 -7.271 1.00 0.00 C ATOM 1404 OG SER A 514 0.816 6.666 -7.647 1.00 0.00 O ATOM 0 H SER A 514 5.124 6.093 -7.180 1.00 0.00 H new ATOM 0 HA SER A 514 2.634 4.945 -7.856 1.00 0.00 H new ATOM 0 HB2 SER A 514 2.211 7.036 -6.185 1.00 0.00 H new ATOM 0 HB3 SER A 514 2.421 7.948 -7.666 1.00 0.00 H new ATOM 0 HG SER A 514 0.489 7.346 -8.272 1.00 0.00 H new ATOM 1410 N LEU A 515 2.642 6.234 -10.120 1.00 0.00 N ATOM 1411 CA LEU A 515 2.888 6.593 -11.500 1.00 0.00 C ATOM 1412 C LEU A 515 1.816 7.567 -11.956 1.00 0.00 C ATOM 1413 O LEU A 515 0.820 7.767 -11.258 1.00 0.00 O ATOM 1414 CB LEU A 515 2.899 5.362 -12.413 1.00 0.00 C ATOM 1415 CG LEU A 515 1.648 4.492 -12.335 1.00 0.00 C ATOM 1416 CD1 LEU A 515 1.540 3.578 -13.546 1.00 0.00 C ATOM 1417 CD2 LEU A 515 1.670 3.678 -11.062 1.00 0.00 C ATOM 0 H LEU A 515 1.688 5.923 -9.938 1.00 0.00 H new ATOM 0 HA LEU A 515 3.872 7.057 -11.565 1.00 0.00 H new ATOM 0 HB2 LEU A 515 3.030 5.693 -13.443 1.00 0.00 H new ATOM 0 HB3 LEU A 515 3.765 4.750 -12.163 1.00 0.00 H new ATOM 0 HG LEU A 515 0.774 5.144 -12.329 1.00 0.00 H new ATOM 0 HD11 LEU A 515 0.639 2.970 -13.464 1.00 0.00 H new ATOM 0 HD12 LEU A 515 1.489 4.180 -14.453 1.00 0.00 H new ATOM 0 HD13 LEU A 515 2.414 2.928 -13.590 1.00 0.00 H new ATOM 0 HD21 LEU A 515 0.775 3.058 -11.011 1.00 0.00 H new ATOM 0 HD22 LEU A 515 2.554 3.040 -11.053 1.00 0.00 H new ATOM 0 HD23 LEU A 515 1.697 4.348 -10.202 1.00 0.00 H new ATOM 1429 N LYS A 516 2.005 8.174 -13.115 1.00 0.00 N ATOM 1430 CA LYS A 516 1.027 9.117 -13.625 1.00 0.00 C ATOM 1431 C LYS A 516 0.649 8.797 -15.063 1.00 0.00 C ATOM 1432 O LYS A 516 1.427 9.025 -15.989 1.00 0.00 O ATOM 1433 CB LYS A 516 1.526 10.556 -13.506 1.00 0.00 C ATOM 1434 CG LYS A 516 2.896 10.670 -12.879 1.00 0.00 C ATOM 1435 CD LYS A 516 3.960 10.122 -13.808 1.00 0.00 C ATOM 1436 CE LYS A 516 5.061 9.408 -13.038 1.00 0.00 C ATOM 1437 NZ LYS A 516 6.352 9.417 -13.779 1.00 0.00 N ATOM 0 H LYS A 516 2.818 8.033 -13.715 1.00 0.00 H new ATOM 0 HA LYS A 516 0.132 9.020 -13.011 1.00 0.00 H new ATOM 0 HB2 LYS A 516 1.551 11.007 -14.498 1.00 0.00 H new ATOM 0 HB3 LYS A 516 0.815 11.131 -12.913 1.00 0.00 H new ATOM 0 HG2 LYS A 516 3.110 11.714 -12.649 1.00 0.00 H new ATOM 0 HG3 LYS A 516 2.915 10.125 -11.935 1.00 0.00 H new ATOM 0 HD2 LYS A 516 3.504 9.431 -14.517 1.00 0.00 H new ATOM 0 HD3 LYS A 516 4.391 10.937 -14.389 1.00 0.00 H new ATOM 0 HE2 LYS A 516 5.196 9.888 -12.068 1.00 0.00 H new ATOM 0 HE3 LYS A 516 4.760 8.378 -12.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 7.076 8.921 -13.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 6.231 8.937 -14.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 6.653 10.399 -13.941 1.00 0.00 H new ATOM 1451 N GLU A 517 -0.555 8.264 -15.240 1.00 0.00 N ATOM 1452 CA GLU A 517 -1.047 7.908 -16.555 1.00 0.00 C ATOM 1453 C GLU A 517 -1.191 9.143 -17.438 1.00 0.00 C ATOM 1454 O GLU A 517 -0.631 9.140 -18.555 1.00 0.00 O ATOM 1455 CB GLU A 517 -2.391 7.196 -16.425 1.00 0.00 C ATOM 1456 CG GLU A 517 -3.358 7.886 -15.476 1.00 0.00 C ATOM 1457 CD GLU A 517 -4.792 7.436 -15.679 1.00 0.00 C ATOM 1458 OE1 GLU A 517 -5.023 6.212 -15.773 1.00 0.00 O ATOM 1459 OE2 GLU A 517 -5.684 8.307 -15.743 1.00 0.00 O ATOM 1460 OXT GLU A 517 -1.862 10.104 -17.007 1.00 0.00 O ATOM 0 H GLU A 517 -1.208 8.070 -14.481 1.00 0.00 H new ATOM 0 HA GLU A 517 -0.326 7.239 -17.025 1.00 0.00 H new ATOM 0 HB2 GLU A 517 -2.851 7.125 -17.410 1.00 0.00 H new ATOM 0 HB3 GLU A 517 -2.220 6.177 -16.078 1.00 0.00 H new ATOM 0 HG2 GLU A 517 -3.059 7.683 -14.447 1.00 0.00 H new ATOM 0 HG3 GLU A 517 -3.295 8.965 -15.620 1.00 0.00 H new