USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 410 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 Single : A 612 SER OG : rot 180:sc= 0 USER MOD Single : A 618 SER OG : rot 91:sc= 1.24 USER MOD Single : A 621 SER OG : rot 100:sc= 0.387 USER MOD Single : A 624 SER OG : rot 180:sc= 0 USER MOD Single : A 627 SER OG : rot 180:sc= 0 USER MOD Single : A 629 THR OG1 : rot 180:sc= 0 USER MOD Single : A 632 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 634 MET CE :methyl -169:sc= -0.973 (180deg=-1.05) USER MOD Single : A 636 THR OG1 : rot 180:sc= 0 USER MOD Single : A 638 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 640 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 642 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 643 SER OG : rot -150:sc= 0.0243 USER MOD Single : A 651 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 656 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 659 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.048) USER MOD Single : A 661 MET CE :methyl -150:sc= -0.0237 (180deg=-0.739) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 611 -27.433 6.151 7.365 1.00 0.00 N ATOM 2 CA GLY A 611 -26.515 6.903 8.211 1.00 0.00 C ATOM 3 C GLY A 611 -25.095 6.671 7.759 1.00 0.00 C ATOM 4 O GLY A 611 -24.838 6.549 6.559 1.00 0.00 O ATOM 0 HA2 GLY A 611 -26.752 7.966 8.165 1.00 0.00 H new ATOM 0 HA3 GLY A 611 -26.630 6.596 9.250 1.00 0.00 H new ATOM 8 N SER A 612 -24.156 6.680 8.699 1.00 0.00 N ATOM 9 CA SER A 612 -22.750 6.467 8.402 1.00 0.00 C ATOM 10 C SER A 612 -22.545 5.014 7.983 1.00 0.00 C ATOM 11 O SER A 612 -23.286 4.133 8.424 1.00 0.00 O ATOM 12 CB SER A 612 -21.930 6.839 9.635 1.00 0.00 C ATOM 13 OG SER A 612 -22.147 8.214 9.908 1.00 0.00 O ATOM 0 H SER A 612 -24.352 6.836 9.688 1.00 0.00 H new ATOM 0 HA SER A 612 -22.418 7.096 7.576 1.00 0.00 H new ATOM 0 HB2 SER A 612 -22.227 6.230 10.488 1.00 0.00 H new ATOM 0 HB3 SER A 612 -20.871 6.648 9.460 1.00 0.00 H new ATOM 0 HG SER A 612 -21.631 8.476 10.699 1.00 0.00 H new ATOM 19 N ILE A 613 -21.560 4.771 7.121 1.00 0.00 N ATOM 20 CA ILE A 613 -21.217 3.454 6.606 1.00 0.00 C ATOM 21 C ILE A 613 -19.702 3.335 6.544 1.00 0.00 C ATOM 22 O ILE A 613 -19.018 4.356 6.390 1.00 0.00 O ATOM 23 CB ILE A 613 -21.823 3.231 5.203 1.00 0.00 C ATOM 24 CG1 ILE A 613 -21.362 4.261 4.143 1.00 0.00 C ATOM 25 CG2 ILE A 613 -23.349 3.210 5.303 1.00 0.00 C ATOM 26 CD1 ILE A 613 -20.194 3.778 3.280 1.00 0.00 C ATOM 0 H ILE A 613 -20.962 5.511 6.752 1.00 0.00 H new ATOM 0 HA ILE A 613 -21.627 2.693 7.270 1.00 0.00 H new ATOM 0 HB ILE A 613 -21.451 2.268 4.853 1.00 0.00 H new ATOM 0 HG12 ILE A 613 -22.204 4.504 3.495 1.00 0.00 H new ATOM 0 HG13 ILE A 613 -21.072 5.183 4.647 1.00 0.00 H new ATOM 0 HG21 ILE A 613 -23.776 3.053 4.313 1.00 0.00 H new ATOM 0 HG22 ILE A 613 -23.659 2.401 5.965 1.00 0.00 H new ATOM 0 HG23 ILE A 613 -23.701 4.161 5.703 1.00 0.00 H new ATOM 0 HD11 ILE A 613 -19.928 4.553 2.561 1.00 0.00 H new ATOM 0 HD12 ILE A 613 -19.336 3.563 3.917 1.00 0.00 H new ATOM 0 HD13 ILE A 613 -20.486 2.873 2.746 1.00 0.00 H new ATOM 38 N PRO A 614 -19.156 2.118 6.629 1.00 0.00 N ATOM 39 CA PRO A 614 -17.731 1.936 6.567 1.00 0.00 C ATOM 40 C PRO A 614 -17.257 1.850 5.116 1.00 0.00 C ATOM 41 O PRO A 614 -18.002 1.438 4.223 1.00 0.00 O ATOM 42 CB PRO A 614 -17.483 0.618 7.294 1.00 0.00 C ATOM 43 CG PRO A 614 -18.718 -0.204 6.916 1.00 0.00 C ATOM 44 CD PRO A 614 -19.828 0.842 6.823 1.00 0.00 C ATOM 0 HA PRO A 614 -17.188 2.767 7.017 1.00 0.00 H new ATOM 0 HB2 PRO A 614 -16.560 0.140 6.965 1.00 0.00 H new ATOM 0 HB3 PRO A 614 -17.402 0.758 8.372 1.00 0.00 H new ATOM 0 HG2 PRO A 614 -18.578 -0.726 5.969 1.00 0.00 H new ATOM 0 HG3 PRO A 614 -18.942 -0.961 7.668 1.00 0.00 H new ATOM 0 HD2 PRO A 614 -20.501 0.625 5.994 1.00 0.00 H new ATOM 0 HD3 PRO A 614 -20.432 0.852 7.730 1.00 0.00 H new ATOM 52 N CYS A 615 -16.009 2.248 4.870 1.00 0.00 N ATOM 53 CA CYS A 615 -15.452 2.167 3.532 1.00 0.00 C ATOM 54 C CYS A 615 -14.990 0.723 3.369 1.00 0.00 C ATOM 55 O CYS A 615 -13.921 0.374 3.882 1.00 0.00 O ATOM 56 CB CYS A 615 -14.302 3.151 3.331 1.00 0.00 C ATOM 57 SG CYS A 615 -14.821 4.881 3.285 1.00 0.00 S ATOM 0 H CYS A 615 -15.375 2.625 5.575 1.00 0.00 H new ATOM 0 HA CYS A 615 -16.192 2.439 2.780 1.00 0.00 H new ATOM 0 HB2 CYS A 615 -13.579 3.020 4.136 1.00 0.00 H new ATOM 0 HB3 CYS A 615 -13.789 2.910 2.400 1.00 0.00 H new ATOM 62 N LEU A 616 -15.812 -0.103 2.712 1.00 0.00 N ATOM 63 CA LEU A 616 -15.565 -1.517 2.442 1.00 0.00 C ATOM 64 C LEU A 616 -14.365 -1.678 1.513 1.00 0.00 C ATOM 65 O LEU A 616 -14.494 -1.876 0.304 1.00 0.00 O ATOM 66 CB LEU A 616 -16.819 -2.199 1.908 1.00 0.00 C ATOM 67 CG LEU A 616 -16.585 -3.691 1.601 1.00 0.00 C ATOM 68 CD1 LEU A 616 -15.687 -4.460 2.580 1.00 0.00 C ATOM 69 CD2 LEU A 616 -17.946 -4.352 1.612 1.00 0.00 C ATOM 0 H LEU A 616 -16.707 0.214 2.339 1.00 0.00 H new ATOM 0 HA LEU A 616 -15.317 -2.018 3.377 1.00 0.00 H new ATOM 0 HB2 LEU A 616 -17.622 -2.102 2.638 1.00 0.00 H new ATOM 0 HB3 LEU A 616 -17.149 -1.691 1.002 1.00 0.00 H new ATOM 0 HG LEU A 616 -16.058 -3.725 0.647 1.00 0.00 H new ATOM 0 HD11 LEU A 616 -15.600 -5.497 2.256 1.00 0.00 H new ATOM 0 HD12 LEU A 616 -14.698 -4.003 2.602 1.00 0.00 H new ATOM 0 HD13 LEU A 616 -16.125 -4.427 3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 616 -17.836 -5.415 1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 616 -18.405 -4.224 2.592 1.00 0.00 H new ATOM 0 HD23 LEU A 616 -18.579 -3.893 0.853 1.00 0.00 H new ATOM 81 N LEU A 617 -13.183 -1.630 2.104 1.00 0.00 N ATOM 82 CA LEU A 617 -11.904 -1.735 1.439 1.00 0.00 C ATOM 83 C LEU A 617 -11.203 -2.945 2.014 1.00 0.00 C ATOM 84 O LEU A 617 -11.207 -3.135 3.233 1.00 0.00 O ATOM 85 CB LEU A 617 -11.104 -0.449 1.680 1.00 0.00 C ATOM 86 CG LEU A 617 -11.763 0.802 1.064 1.00 0.00 C ATOM 87 CD1 LEU A 617 -11.141 2.061 1.663 1.00 0.00 C ATOM 88 CD2 LEU A 617 -11.574 0.846 -0.453 1.00 0.00 C ATOM 0 H LEU A 617 -13.090 -1.510 3.113 1.00 0.00 H new ATOM 0 HA LEU A 617 -12.012 -1.855 0.361 1.00 0.00 H new ATOM 0 HB2 LEU A 617 -10.986 -0.298 2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 617 -10.104 -0.567 1.263 1.00 0.00 H new ATOM 0 HG LEU A 617 -12.829 0.755 1.287 1.00 0.00 H new ATOM 0 HD11 LEU A 617 -11.610 2.942 1.225 1.00 0.00 H new ATOM 0 HD12 LEU A 617 -11.297 2.066 2.742 1.00 0.00 H new ATOM 0 HD13 LEU A 617 -10.072 2.075 1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 617 -12.051 1.741 -0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 617 -10.510 0.867 -0.687 1.00 0.00 H new ATOM 0 HD23 LEU A 617 -12.027 -0.038 -0.902 1.00 0.00 H new ATOM 100 N SER A 618 -10.637 -3.799 1.168 1.00 0.00 N ATOM 101 CA SER A 618 -9.930 -4.974 1.659 1.00 0.00 C ATOM 102 C SER A 618 -8.691 -4.512 2.439 1.00 0.00 C ATOM 103 O SER A 618 -8.216 -3.387 2.212 1.00 0.00 O ATOM 104 CB SER A 618 -9.492 -5.842 0.481 1.00 0.00 C ATOM 105 OG SER A 618 -10.565 -6.075 -0.407 1.00 0.00 O ATOM 0 H SER A 618 -10.653 -3.702 0.153 1.00 0.00 H new ATOM 0 HA SER A 618 -10.586 -5.556 2.306 1.00 0.00 H new ATOM 0 HB2 SER A 618 -8.676 -5.353 -0.051 1.00 0.00 H new ATOM 0 HB3 SER A 618 -9.108 -6.793 0.849 1.00 0.00 H new ATOM 0 HG SER A 618 -10.577 -5.378 -1.096 1.00 0.00 H new ATOM 111 N PRO A 619 -8.153 -5.343 3.347 1.00 0.00 N ATOM 112 CA PRO A 619 -6.972 -4.963 4.089 1.00 0.00 C ATOM 113 C PRO A 619 -5.850 -4.823 3.065 1.00 0.00 C ATOM 114 O PRO A 619 -5.789 -5.606 2.111 1.00 0.00 O ATOM 115 CB PRO A 619 -6.729 -6.092 5.095 1.00 0.00 C ATOM 116 CG PRO A 619 -7.391 -7.305 4.447 1.00 0.00 C ATOM 117 CD PRO A 619 -8.580 -6.679 3.724 1.00 0.00 C ATOM 0 HA PRO A 619 -7.052 -4.023 4.635 1.00 0.00 H new ATOM 0 HB2 PRO A 619 -5.665 -6.258 5.261 1.00 0.00 H new ATOM 0 HB3 PRO A 619 -7.171 -5.865 6.065 1.00 0.00 H new ATOM 0 HG2 PRO A 619 -6.719 -7.815 3.757 1.00 0.00 H new ATOM 0 HG3 PRO A 619 -7.706 -8.040 5.187 1.00 0.00 H new ATOM 0 HD2 PRO A 619 -8.856 -7.264 2.847 1.00 0.00 H new ATOM 0 HD3 PRO A 619 -9.456 -6.642 4.371 1.00 0.00 H new ATOM 125 N TRP A 620 -4.992 -3.817 3.225 1.00 0.00 N ATOM 126 CA TRP A 620 -3.899 -3.643 2.285 1.00 0.00 C ATOM 127 C TRP A 620 -3.041 -4.899 2.287 1.00 0.00 C ATOM 128 O TRP A 620 -2.759 -5.439 3.367 1.00 0.00 O ATOM 129 CB TRP A 620 -3.015 -2.464 2.667 1.00 0.00 C ATOM 130 CG TRP A 620 -3.602 -1.104 2.562 1.00 0.00 C ATOM 131 CD1 TRP A 620 -4.290 -0.484 3.536 1.00 0.00 C ATOM 132 CD2 TRP A 620 -3.497 -0.147 1.474 1.00 0.00 C ATOM 133 NE1 TRP A 620 -4.634 0.786 3.126 1.00 0.00 N ATOM 134 CE2 TRP A 620 -4.161 1.054 1.862 1.00 0.00 C ATOM 135 CE3 TRP A 620 -2.885 -0.169 0.208 1.00 0.00 C ATOM 136 CZ2 TRP A 620 -4.227 2.178 1.027 1.00 0.00 C ATOM 137 CZ3 TRP A 620 -2.950 0.951 -0.635 1.00 0.00 C ATOM 138 CH2 TRP A 620 -3.618 2.121 -0.235 1.00 0.00 C ATOM 0 H TRP A 620 -5.033 -3.129 3.977 1.00 0.00 H new ATOM 0 HA TRP A 620 -4.328 -3.456 1.301 1.00 0.00 H new ATOM 0 HB2 TRP A 620 -2.686 -2.610 3.696 1.00 0.00 H new ATOM 0 HB3 TRP A 620 -2.124 -2.495 2.040 1.00 0.00 H new ATOM 0 HD1 TRP A 620 -4.536 -0.916 4.495 1.00 0.00 H new ATOM 0 HE1 TRP A 620 -5.172 1.445 3.689 1.00 0.00 H new ATOM 0 HE3 TRP A 620 -2.361 -1.055 -0.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 620 -4.738 3.073 1.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 620 -2.479 0.913 -1.606 1.00 0.00 H new ATOM 0 HH2 TRP A 620 -3.662 2.973 -0.897 1.00 0.00 H new ATOM 149 N SER A 621 -2.608 -5.318 1.096 1.00 0.00 N ATOM 150 CA SER A 621 -1.761 -6.481 0.933 1.00 0.00 C ATOM 151 C SER A 621 -0.485 -6.266 1.745 1.00 0.00 C ATOM 152 O SER A 621 -0.101 -5.137 2.073 1.00 0.00 O ATOM 153 CB SER A 621 -1.434 -6.668 -0.553 1.00 0.00 C ATOM 154 OG SER A 621 -2.608 -6.575 -1.341 1.00 0.00 O ATOM 0 H SER A 621 -2.841 -4.852 0.219 1.00 0.00 H new ATOM 0 HA SER A 621 -2.267 -7.379 1.288 1.00 0.00 H new ATOM 0 HB2 SER A 621 -0.716 -5.911 -0.870 1.00 0.00 H new ATOM 0 HB3 SER A 621 -0.963 -7.639 -0.707 1.00 0.00 H new ATOM 0 HG SER A 621 -2.661 -5.684 -1.745 1.00 0.00 H new ATOM 160 N GLU A 622 0.188 -7.352 2.084 1.00 0.00 N ATOM 161 CA GLU A 622 1.414 -7.271 2.852 1.00 0.00 C ATOM 162 C GLU A 622 2.456 -6.560 1.996 1.00 0.00 C ATOM 163 O GLU A 622 2.545 -6.833 0.798 1.00 0.00 O ATOM 164 CB GLU A 622 1.842 -8.683 3.258 1.00 0.00 C ATOM 165 CG GLU A 622 0.854 -9.216 4.305 1.00 0.00 C ATOM 166 CD GLU A 622 0.870 -10.733 4.395 1.00 0.00 C ATOM 167 OE1 GLU A 622 0.423 -11.391 3.426 1.00 0.00 O ATOM 168 OE2 GLU A 622 1.250 -11.238 5.479 1.00 0.00 O ATOM 0 H GLU A 622 -0.096 -8.300 1.838 1.00 0.00 H new ATOM 0 HA GLU A 622 1.284 -6.701 3.772 1.00 0.00 H new ATOM 0 HB2 GLU A 622 1.859 -9.338 2.387 1.00 0.00 H new ATOM 0 HB3 GLU A 622 2.853 -8.669 3.665 1.00 0.00 H new ATOM 0 HG2 GLU A 622 1.099 -8.794 5.280 1.00 0.00 H new ATOM 0 HG3 GLU A 622 -0.152 -8.880 4.056 1.00 0.00 H new ATOM 175 N TRP A 623 3.197 -5.620 2.575 1.00 0.00 N ATOM 176 CA TRP A 623 4.236 -4.881 1.884 1.00 0.00 C ATOM 177 C TRP A 623 5.256 -5.834 1.267 1.00 0.00 C ATOM 178 O TRP A 623 5.682 -6.794 1.913 1.00 0.00 O ATOM 179 CB TRP A 623 4.989 -4.020 2.894 1.00 0.00 C ATOM 180 CG TRP A 623 4.285 -2.790 3.356 1.00 0.00 C ATOM 181 CD1 TRP A 623 3.713 -2.555 4.559 1.00 0.00 C ATOM 182 CD2 TRP A 623 4.123 -1.573 2.590 1.00 0.00 C ATOM 183 NE1 TRP A 623 3.232 -1.257 4.588 1.00 0.00 N ATOM 184 CE2 TRP A 623 3.409 -0.623 3.374 1.00 0.00 C ATOM 185 CE3 TRP A 623 4.530 -1.192 1.298 1.00 0.00 C ATOM 186 CZ2 TRP A 623 3.037 0.629 2.858 1.00 0.00 C ATOM 187 CZ3 TRP A 623 4.225 0.081 0.813 1.00 0.00 C ATOM 188 CH2 TRP A 623 3.437 0.965 1.553 1.00 0.00 C ATOM 0 H TRP A 623 3.087 -5.350 3.552 1.00 0.00 H new ATOM 0 HA TRP A 623 3.765 -4.278 1.107 1.00 0.00 H new ATOM 0 HB2 TRP A 623 5.218 -4.633 3.766 1.00 0.00 H new ATOM 0 HB3 TRP A 623 5.941 -3.726 2.453 1.00 0.00 H new ATOM 0 HD1 TRP A 623 3.643 -3.267 5.368 1.00 0.00 H new ATOM 0 HE1 TRP A 623 2.801 -0.823 5.404 1.00 0.00 H new ATOM 0 HE3 TRP A 623 5.080 -1.886 0.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 623 2.456 1.319 3.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 623 4.605 0.387 -0.151 1.00 0.00 H new ATOM 0 HH2 TRP A 623 3.135 1.908 1.122 1.00 0.00 H new ATOM 199 N SER A 624 5.665 -5.528 0.044 1.00 0.00 N ATOM 200 CA SER A 624 6.650 -6.284 -0.699 1.00 0.00 C ATOM 201 C SER A 624 8.040 -5.756 -0.339 1.00 0.00 C ATOM 202 O SER A 624 8.174 -4.830 0.477 1.00 0.00 O ATOM 203 CB SER A 624 6.369 -6.022 -2.176 1.00 0.00 C ATOM 204 OG SER A 624 7.011 -6.954 -3.017 1.00 0.00 O ATOM 0 H SER A 624 5.307 -4.722 -0.469 1.00 0.00 H new ATOM 0 HA SER A 624 6.605 -7.350 -0.474 1.00 0.00 H new ATOM 0 HB2 SER A 624 5.294 -6.059 -2.351 1.00 0.00 H new ATOM 0 HB3 SER A 624 6.700 -5.016 -2.433 1.00 0.00 H new ATOM 0 HG SER A 624 6.802 -6.749 -3.952 1.00 0.00 H new ATOM 210 N ASP A 625 9.074 -6.360 -0.926 1.00 0.00 N ATOM 211 CA ASP A 625 10.450 -5.933 -0.714 1.00 0.00 C ATOM 212 C ASP A 625 10.564 -4.535 -1.309 1.00 0.00 C ATOM 213 O ASP A 625 9.854 -4.177 -2.261 1.00 0.00 O ATOM 214 CB ASP A 625 11.460 -6.843 -1.424 1.00 0.00 C ATOM 215 CG ASP A 625 11.806 -8.084 -0.615 1.00 0.00 C ATOM 216 OD1 ASP A 625 12.384 -7.955 0.486 1.00 0.00 O ATOM 217 OD2 ASP A 625 11.580 -9.206 -1.121 1.00 0.00 O ATOM 0 H ASP A 625 8.978 -7.155 -1.558 1.00 0.00 H new ATOM 0 HA ASP A 625 10.676 -5.966 0.352 1.00 0.00 H new ATOM 0 HB2 ASP A 625 11.054 -7.146 -2.389 1.00 0.00 H new ATOM 0 HB3 ASP A 625 12.371 -6.280 -1.624 1.00 0.00 H new ATOM 222 N CYS A 626 11.459 -3.725 -0.756 1.00 0.00 N ATOM 223 CA CYS A 626 11.664 -2.375 -1.236 1.00 0.00 C ATOM 224 C CYS A 626 12.302 -2.408 -2.633 1.00 0.00 C ATOM 225 O CYS A 626 12.841 -3.436 -3.059 1.00 0.00 O ATOM 226 CB CYS A 626 12.434 -1.595 -0.181 1.00 0.00 C ATOM 227 SG CYS A 626 11.776 -1.741 1.503 1.00 0.00 S ATOM 0 H CYS A 626 12.055 -3.987 0.029 1.00 0.00 H new ATOM 0 HA CYS A 626 10.723 -1.842 -1.376 1.00 0.00 H new ATOM 0 HB2 CYS A 626 13.470 -1.934 -0.182 1.00 0.00 H new ATOM 0 HB3 CYS A 626 12.443 -0.542 -0.462 1.00 0.00 H new ATOM 232 N SER A 627 12.236 -1.290 -3.359 1.00 0.00 N ATOM 233 CA SER A 627 12.755 -1.210 -4.712 1.00 0.00 C ATOM 234 C SER A 627 14.274 -1.143 -4.747 1.00 0.00 C ATOM 235 O SER A 627 14.908 -1.999 -5.372 1.00 0.00 O ATOM 236 CB SER A 627 12.112 -0.022 -5.437 1.00 0.00 C ATOM 237 OG SER A 627 12.495 0.007 -6.805 1.00 0.00 O ATOM 0 H SER A 627 11.822 -0.422 -3.021 1.00 0.00 H new ATOM 0 HA SER A 627 12.489 -2.128 -5.236 1.00 0.00 H new ATOM 0 HB2 SER A 627 11.027 -0.089 -5.361 1.00 0.00 H new ATOM 0 HB3 SER A 627 12.409 0.908 -4.953 1.00 0.00 H new ATOM 0 HG SER A 627 12.071 0.772 -7.247 1.00 0.00 H new ATOM 243 N VAL A 628 14.861 -0.095 -4.172 1.00 0.00 N ATOM 244 CA VAL A 628 16.305 0.038 -4.187 1.00 0.00 C ATOM 245 C VAL A 628 16.904 -0.999 -3.251 1.00 0.00 C ATOM 246 O VAL A 628 16.284 -1.343 -2.240 1.00 0.00 O ATOM 247 CB VAL A 628 16.719 1.483 -3.845 1.00 0.00 C ATOM 248 CG1 VAL A 628 17.095 1.720 -2.379 1.00 0.00 C ATOM 249 CG2 VAL A 628 17.908 1.906 -4.700 1.00 0.00 C ATOM 0 H VAL A 628 14.364 0.660 -3.699 1.00 0.00 H new ATOM 0 HA VAL A 628 16.697 -0.154 -5.186 1.00 0.00 H new ATOM 0 HB VAL A 628 15.829 2.077 -4.050 1.00 0.00 H new ATOM 0 HG11 VAL A 628 17.371 2.765 -2.239 1.00 0.00 H new ATOM 0 HG12 VAL A 628 16.244 1.481 -1.742 1.00 0.00 H new ATOM 0 HG13 VAL A 628 17.938 1.083 -2.112 1.00 0.00 H new ATOM 0 HG21 VAL A 628 18.191 2.928 -4.449 1.00 0.00 H new ATOM 0 HG22 VAL A 628 18.749 1.239 -4.509 1.00 0.00 H new ATOM 0 HG23 VAL A 628 17.635 1.853 -5.754 1.00 0.00 H new ATOM 259 N THR A 629 18.128 -1.411 -3.564 1.00 0.00 N ATOM 260 CA THR A 629 18.885 -2.385 -2.797 1.00 0.00 C ATOM 261 C THR A 629 19.772 -1.677 -1.769 1.00 0.00 C ATOM 262 O THR A 629 20.089 -2.257 -0.733 1.00 0.00 O ATOM 263 CB THR A 629 19.651 -3.273 -3.792 1.00 0.00 C ATOM 264 OG1 THR A 629 19.751 -4.622 -3.398 1.00 0.00 O ATOM 265 CG2 THR A 629 21.043 -2.754 -4.171 1.00 0.00 C ATOM 0 H THR A 629 18.632 -1.065 -4.381 1.00 0.00 H new ATOM 0 HA THR A 629 18.236 -3.034 -2.209 1.00 0.00 H new ATOM 0 HB THR A 629 19.022 -3.219 -4.681 1.00 0.00 H new ATOM 0 HG1 THR A 629 20.247 -5.125 -4.077 1.00 0.00 H new ATOM 0 HG21 THR A 629 21.509 -3.443 -4.876 1.00 0.00 H new ATOM 0 HG22 THR A 629 20.952 -1.770 -4.632 1.00 0.00 H new ATOM 0 HG23 THR A 629 21.660 -2.679 -3.275 1.00 0.00 H new ATOM 273 N CYS A 630 20.170 -0.428 -2.039 1.00 0.00 N ATOM 274 CA CYS A 630 20.994 0.365 -1.152 1.00 0.00 C ATOM 275 C CYS A 630 20.679 1.846 -1.304 1.00 0.00 C ATOM 276 O CYS A 630 20.346 2.302 -2.404 1.00 0.00 O ATOM 277 CB CYS A 630 22.481 0.127 -1.405 1.00 0.00 C ATOM 278 SG CYS A 630 23.072 0.367 -3.098 1.00 0.00 S ATOM 0 H CYS A 630 19.918 0.059 -2.899 1.00 0.00 H new ATOM 0 HA CYS A 630 20.765 0.052 -0.133 1.00 0.00 H new ATOM 0 HB2 CYS A 630 23.047 0.790 -0.751 1.00 0.00 H new ATOM 0 HB3 CYS A 630 22.717 -0.894 -1.105 1.00 0.00 H new ATOM 283 N GLY A 631 20.864 2.599 -0.224 1.00 0.00 N ATOM 284 CA GLY A 631 20.627 4.030 -0.190 1.00 0.00 C ATOM 285 C GLY A 631 19.136 4.376 -0.224 1.00 0.00 C ATOM 286 O GLY A 631 18.267 3.552 0.080 1.00 0.00 O ATOM 0 H GLY A 631 21.189 2.221 0.666 1.00 0.00 H new ATOM 0 HA2 GLY A 631 21.074 4.448 0.712 1.00 0.00 H new ATOM 0 HA3 GLY A 631 21.125 4.498 -1.039 1.00 0.00 H new ATOM 290 N LYS A 632 18.824 5.629 -0.566 1.00 0.00 N ATOM 291 CA LYS A 632 17.460 6.145 -0.647 1.00 0.00 C ATOM 292 C LYS A 632 16.608 5.313 -1.605 1.00 0.00 C ATOM 293 O LYS A 632 16.922 5.195 -2.790 1.00 0.00 O ATOM 294 CB LYS A 632 17.498 7.619 -1.071 1.00 0.00 C ATOM 295 CG LYS A 632 16.099 8.234 -1.237 1.00 0.00 C ATOM 296 CD LYS A 632 15.788 8.462 -2.720 1.00 0.00 C ATOM 297 CE LYS A 632 14.360 8.970 -2.880 1.00 0.00 C ATOM 298 NZ LYS A 632 14.122 9.494 -4.238 1.00 0.00 N ATOM 0 H LYS A 632 19.531 6.327 -0.799 1.00 0.00 H new ATOM 0 HA LYS A 632 16.995 6.072 0.336 1.00 0.00 H new ATOM 0 HB2 LYS A 632 18.054 8.191 -0.328 1.00 0.00 H new ATOM 0 HB3 LYS A 632 18.041 7.706 -2.012 1.00 0.00 H new ATOM 0 HG2 LYS A 632 15.350 7.574 -0.799 1.00 0.00 H new ATOM 0 HG3 LYS A 632 16.044 9.180 -0.698 1.00 0.00 H new ATOM 0 HD2 LYS A 632 16.489 9.183 -3.140 1.00 0.00 H new ATOM 0 HD3 LYS A 632 15.916 7.532 -3.274 1.00 0.00 H new ATOM 0 HE2 LYS A 632 13.660 8.161 -2.673 1.00 0.00 H new ATOM 0 HE3 LYS A 632 14.167 9.754 -2.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 632 13.141 9.831 -4.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 632 14.774 10.282 -4.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 632 14.282 8.739 -4.935 1.00 0.00 H new ATOM 312 N GLY A 633 15.488 4.801 -1.103 1.00 0.00 N ATOM 313 CA GLY A 633 14.540 3.993 -1.845 1.00 0.00 C ATOM 314 C GLY A 633 13.183 3.997 -1.144 1.00 0.00 C ATOM 315 O GLY A 633 12.983 4.729 -0.161 1.00 0.00 O ATOM 0 H GLY A 633 15.210 4.946 -0.132 1.00 0.00 H new ATOM 0 HA2 GLY A 633 14.435 4.380 -2.858 1.00 0.00 H new ATOM 0 HA3 GLY A 633 14.910 2.971 -1.931 1.00 0.00 H new ATOM 319 N MET A 634 12.246 3.193 -1.642 1.00 0.00 N ATOM 320 CA MET A 634 10.891 3.032 -1.133 1.00 0.00 C ATOM 321 C MET A 634 10.254 1.748 -1.661 1.00 0.00 C ATOM 322 O MET A 634 10.771 1.111 -2.580 1.00 0.00 O ATOM 323 CB MET A 634 10.050 4.283 -1.431 1.00 0.00 C ATOM 324 CG MET A 634 10.091 4.822 -2.861 1.00 0.00 C ATOM 325 SD MET A 634 9.500 6.533 -2.953 1.00 0.00 S ATOM 326 CE MET A 634 7.809 6.306 -2.356 1.00 0.00 C ATOM 0 H MET A 634 12.424 2.605 -2.456 1.00 0.00 H new ATOM 0 HA MET A 634 10.932 2.929 -0.049 1.00 0.00 H new ATOM 0 HB2 MET A 634 9.012 4.061 -1.182 1.00 0.00 H new ATOM 0 HB3 MET A 634 10.375 5.078 -0.760 1.00 0.00 H new ATOM 0 HG2 MET A 634 11.112 4.769 -3.240 1.00 0.00 H new ATOM 0 HG3 MET A 634 9.479 4.191 -3.505 1.00 0.00 H new ATOM 0 HE1 MET A 634 7.237 7.217 -2.529 1.00 0.00 H new ATOM 0 HE2 MET A 634 7.343 5.478 -2.890 1.00 0.00 H new ATOM 0 HE3 MET A 634 7.826 6.086 -1.289 1.00 0.00 H new ATOM 336 N ARG A 635 9.151 1.353 -1.025 1.00 0.00 N ATOM 337 CA ARG A 635 8.328 0.188 -1.328 1.00 0.00 C ATOM 338 C ARG A 635 6.925 0.678 -1.682 1.00 0.00 C ATOM 339 O ARG A 635 6.575 1.811 -1.330 1.00 0.00 O ATOM 340 CB ARG A 635 8.257 -0.759 -0.112 1.00 0.00 C ATOM 341 CG ARG A 635 7.850 -0.064 1.191 1.00 0.00 C ATOM 342 CD ARG A 635 7.619 -1.070 2.315 1.00 0.00 C ATOM 343 NE ARG A 635 8.859 -1.408 3.023 1.00 0.00 N ATOM 344 CZ ARG A 635 9.147 -2.621 3.519 1.00 0.00 C ATOM 345 NH1 ARG A 635 8.606 -3.724 3.012 1.00 0.00 N ATOM 346 NH2 ARG A 635 9.992 -2.738 4.532 1.00 0.00 N ATOM 0 H ARG A 635 8.786 1.877 -0.230 1.00 0.00 H new ATOM 0 HA ARG A 635 8.764 -0.363 -2.161 1.00 0.00 H new ATOM 0 HB2 ARG A 635 7.545 -1.556 -0.325 1.00 0.00 H new ATOM 0 HB3 ARG A 635 9.230 -1.230 0.027 1.00 0.00 H new ATOM 0 HG2 ARG A 635 8.627 0.641 1.487 1.00 0.00 H new ATOM 0 HG3 ARG A 635 6.941 0.515 1.027 1.00 0.00 H new ATOM 0 HD2 ARG A 635 6.899 -0.661 3.023 1.00 0.00 H new ATOM 0 HD3 ARG A 635 7.180 -1.978 1.902 1.00 0.00 H new ATOM 0 HE ARG A 635 9.551 -0.669 3.147 1.00 0.00 H new ATOM 0 HH11 ARG A 635 7.956 -3.660 2.228 1.00 0.00 H new ATOM 0 HH12 ARG A 635 8.841 -4.635 3.406 1.00 0.00 H new ATOM 0 HH21 ARG A 635 10.424 -1.906 4.935 1.00 0.00 H new ATOM 0 HH22 ARG A 635 10.211 -3.660 4.909 1.00 0.00 H new ATOM 360 N THR A 636 6.109 -0.168 -2.301 1.00 0.00 N ATOM 361 CA THR A 636 4.738 0.144 -2.689 1.00 0.00 C ATOM 362 C THR A 636 3.845 -1.089 -2.496 1.00 0.00 C ATOM 363 O THR A 636 4.331 -2.210 -2.303 1.00 0.00 O ATOM 364 CB THR A 636 4.682 0.662 -4.129 1.00 0.00 C ATOM 365 OG1 THR A 636 5.286 -0.263 -5.002 1.00 0.00 O ATOM 366 CG2 THR A 636 5.370 2.017 -4.313 1.00 0.00 C ATOM 0 H THR A 636 6.390 -1.115 -2.554 1.00 0.00 H new ATOM 0 HA THR A 636 4.361 0.940 -2.046 1.00 0.00 H new ATOM 0 HB THR A 636 3.624 0.789 -4.360 1.00 0.00 H new ATOM 0 HG1 THR A 636 5.243 0.077 -5.920 1.00 0.00 H new ATOM 0 HG21 THR A 636 5.293 2.325 -5.356 1.00 0.00 H new ATOM 0 HG22 THR A 636 4.886 2.760 -3.679 1.00 0.00 H new ATOM 0 HG23 THR A 636 6.421 1.932 -4.036 1.00 0.00 H new ATOM 374 N ARG A 637 2.527 -0.892 -2.476 1.00 0.00 N ATOM 375 CA ARG A 637 1.510 -1.929 -2.346 1.00 0.00 C ATOM 376 C ARG A 637 0.183 -1.319 -2.767 1.00 0.00 C ATOM 377 O ARG A 637 0.004 -0.099 -2.708 1.00 0.00 O ATOM 378 CB ARG A 637 1.420 -2.538 -0.932 1.00 0.00 C ATOM 379 CG ARG A 637 1.045 -1.553 0.188 1.00 0.00 C ATOM 380 CD ARG A 637 0.618 -2.322 1.431 1.00 0.00 C ATOM 381 NE ARG A 637 0.316 -1.437 2.559 1.00 0.00 N ATOM 382 CZ ARG A 637 0.054 -1.849 3.801 1.00 0.00 C ATOM 383 NH1 ARG A 637 0.082 -3.147 4.097 1.00 0.00 N ATOM 384 NH2 ARG A 637 -0.259 -0.954 4.727 1.00 0.00 N ATOM 0 H ARG A 637 2.123 0.041 -2.554 1.00 0.00 H new ATOM 0 HA ARG A 637 1.783 -2.766 -2.989 1.00 0.00 H new ATOM 0 HB2 ARG A 637 0.684 -3.342 -0.947 1.00 0.00 H new ATOM 0 HB3 ARG A 637 2.381 -2.991 -0.688 1.00 0.00 H new ATOM 0 HG2 ARG A 637 1.895 -0.912 0.420 1.00 0.00 H new ATOM 0 HG3 ARG A 637 0.236 -0.902 -0.144 1.00 0.00 H new ATOM 0 HD2 ARG A 637 -0.261 -2.923 1.199 1.00 0.00 H new ATOM 0 HD3 ARG A 637 1.410 -3.013 1.717 1.00 0.00 H new ATOM 0 HE ARG A 637 0.305 -0.433 2.382 1.00 0.00 H new ATOM 0 HH11 ARG A 637 0.304 -3.830 3.373 1.00 0.00 H new ATOM 0 HH12 ARG A 637 -0.119 -3.458 5.048 1.00 0.00 H new ATOM 0 HH21 ARG A 637 -0.297 0.037 4.487 1.00 0.00 H new ATOM 0 HH22 ARG A 637 -0.461 -1.256 5.680 1.00 0.00 H new ATOM 398 N GLN A 638 -0.764 -2.162 -3.155 1.00 0.00 N ATOM 399 CA GLN A 638 -2.081 -1.726 -3.576 1.00 0.00 C ATOM 400 C GLN A 638 -3.122 -2.739 -3.099 1.00 0.00 C ATOM 401 O GLN A 638 -2.769 -3.807 -2.599 1.00 0.00 O ATOM 402 CB GLN A 638 -2.093 -1.408 -5.089 1.00 0.00 C ATOM 403 CG GLN A 638 -1.367 -2.409 -6.003 1.00 0.00 C ATOM 404 CD GLN A 638 -1.338 -1.917 -7.448 1.00 0.00 C ATOM 405 OE1 GLN A 638 -2.211 -2.240 -8.249 1.00 0.00 O ATOM 406 NE2 GLN A 638 -0.343 -1.127 -7.810 1.00 0.00 N ATOM 0 H GLN A 638 -0.636 -3.173 -3.185 1.00 0.00 H new ATOM 0 HA GLN A 638 -2.355 -0.781 -3.107 1.00 0.00 H new ATOM 0 HB2 GLN A 638 -3.131 -1.338 -5.415 1.00 0.00 H new ATOM 0 HB3 GLN A 638 -1.646 -0.425 -5.235 1.00 0.00 H new ATOM 0 HG2 GLN A 638 -0.348 -2.558 -5.646 1.00 0.00 H new ATOM 0 HG3 GLN A 638 -1.866 -3.377 -5.956 1.00 0.00 H new ATOM 0 HE21 GLN A 638 0.375 -0.868 -7.133 1.00 0.00 H new ATOM 0 HE22 GLN A 638 -0.292 -0.776 -8.766 1.00 0.00 H new ATOM 415 N ARG A 639 -4.403 -2.389 -3.180 1.00 0.00 N ATOM 416 CA ARG A 639 -5.535 -3.217 -2.773 1.00 0.00 C ATOM 417 C ARG A 639 -6.776 -2.780 -3.545 1.00 0.00 C ATOM 418 O ARG A 639 -6.679 -1.900 -4.393 1.00 0.00 O ATOM 419 CB ARG A 639 -5.704 -3.153 -1.243 1.00 0.00 C ATOM 420 CG ARG A 639 -5.863 -1.745 -0.644 1.00 0.00 C ATOM 421 CD ARG A 639 -7.312 -1.295 -0.484 1.00 0.00 C ATOM 422 NE ARG A 639 -7.359 0.045 0.105 1.00 0.00 N ATOM 423 CZ ARG A 639 -7.452 0.337 1.404 1.00 0.00 C ATOM 424 NH1 ARG A 639 -7.633 -0.595 2.342 1.00 0.00 N ATOM 425 NH2 ARG A 639 -7.367 1.604 1.752 1.00 0.00 N ATOM 0 H ARG A 639 -4.693 -1.482 -3.547 1.00 0.00 H new ATOM 0 HA ARG A 639 -5.362 -4.265 -3.017 1.00 0.00 H new ATOM 0 HB2 ARG A 639 -6.577 -3.745 -0.968 1.00 0.00 H new ATOM 0 HB3 ARG A 639 -4.839 -3.628 -0.781 1.00 0.00 H new ATOM 0 HG2 ARG A 639 -5.376 -1.720 0.331 1.00 0.00 H new ATOM 0 HG3 ARG A 639 -5.340 -1.030 -1.280 1.00 0.00 H new ATOM 0 HD2 ARG A 639 -7.810 -1.292 -1.454 1.00 0.00 H new ATOM 0 HD3 ARG A 639 -7.852 -1.999 0.150 1.00 0.00 H new ATOM 0 HE ARG A 639 -7.316 0.833 -0.541 1.00 0.00 H new ATOM 0 HH11 ARG A 639 -7.706 -1.577 2.077 1.00 0.00 H new ATOM 0 HH12 ARG A 639 -7.698 -0.325 3.323 1.00 0.00 H new ATOM 0 HH21 ARG A 639 -7.235 2.321 1.039 1.00 0.00 H new ATOM 0 HH22 ARG A 639 -7.433 1.868 2.735 1.00 0.00 H new ATOM 439 N MET A 640 -7.934 -3.368 -3.255 1.00 0.00 N ATOM 440 CA MET A 640 -9.217 -3.070 -3.884 1.00 0.00 C ATOM 441 C MET A 640 -10.321 -3.247 -2.853 1.00 0.00 C ATOM 442 O MET A 640 -10.116 -3.788 -1.760 1.00 0.00 O ATOM 443 CB MET A 640 -9.450 -4.041 -5.063 1.00 0.00 C ATOM 444 CG MET A 640 -8.960 -3.480 -6.399 1.00 0.00 C ATOM 445 SD MET A 640 -10.054 -2.192 -7.056 1.00 0.00 S ATOM 446 CE MET A 640 -8.998 -1.528 -8.374 1.00 0.00 C ATOM 0 H MET A 640 -8.006 -4.096 -2.545 1.00 0.00 H new ATOM 0 HA MET A 640 -9.219 -2.046 -4.257 1.00 0.00 H new ATOM 0 HB2 MET A 640 -8.938 -4.982 -4.860 1.00 0.00 H new ATOM 0 HB3 MET A 640 -10.514 -4.267 -5.137 1.00 0.00 H new ATOM 0 HG2 MET A 640 -7.958 -3.070 -6.272 1.00 0.00 H new ATOM 0 HG3 MET A 640 -8.883 -4.291 -7.123 1.00 0.00 H new ATOM 0 HE1 MET A 640 -9.520 -0.720 -8.886 1.00 0.00 H new ATOM 0 HE2 MET A 640 -8.073 -1.146 -7.942 1.00 0.00 H new ATOM 0 HE3 MET A 640 -8.766 -2.319 -9.087 1.00 0.00 H new ATOM 456 N LEU A 641 -11.500 -2.750 -3.200 1.00 0.00 N ATOM 457 CA LEU A 641 -12.704 -2.854 -2.390 1.00 0.00 C ATOM 458 C LEU A 641 -13.150 -4.310 -2.292 1.00 0.00 C ATOM 459 O LEU A 641 -12.611 -5.174 -2.982 1.00 0.00 O ATOM 460 CB LEU A 641 -13.780 -1.917 -2.943 1.00 0.00 C ATOM 461 CG LEU A 641 -14.394 -2.151 -4.334 1.00 0.00 C ATOM 462 CD1 LEU A 641 -13.425 -1.808 -5.464 1.00 0.00 C ATOM 463 CD2 LEU A 641 -14.980 -3.535 -4.638 1.00 0.00 C ATOM 0 H LEU A 641 -11.649 -2.250 -4.077 1.00 0.00 H new ATOM 0 HA LEU A 641 -12.503 -2.531 -1.369 1.00 0.00 H new ATOM 0 HB2 LEU A 641 -14.602 -1.916 -2.227 1.00 0.00 H new ATOM 0 HB3 LEU A 641 -13.358 -0.912 -2.945 1.00 0.00 H new ATOM 0 HG LEU A 641 -15.241 -1.467 -4.290 1.00 0.00 H new ATOM 0 HD11 LEU A 641 -13.907 -1.991 -6.424 1.00 0.00 H new ATOM 0 HD12 LEU A 641 -13.142 -0.758 -5.394 1.00 0.00 H new ATOM 0 HD13 LEU A 641 -12.534 -2.431 -5.381 1.00 0.00 H new ATOM 0 HD21 LEU A 641 -15.375 -3.548 -5.654 1.00 0.00 H new ATOM 0 HD22 LEU A 641 -14.199 -4.290 -4.543 1.00 0.00 H new ATOM 0 HD23 LEU A 641 -15.783 -3.753 -3.934 1.00 0.00 H new ATOM 475 N LYS A 642 -14.136 -4.593 -1.437 1.00 0.00 N ATOM 476 CA LYS A 642 -14.671 -5.936 -1.266 1.00 0.00 C ATOM 477 C LYS A 642 -16.199 -5.943 -1.307 1.00 0.00 C ATOM 478 O LYS A 642 -16.827 -6.919 -0.891 1.00 0.00 O ATOM 479 CB LYS A 642 -14.062 -6.580 -0.013 1.00 0.00 C ATOM 480 CG LYS A 642 -13.892 -8.091 -0.180 1.00 0.00 C ATOM 481 CD LYS A 642 -12.740 -8.459 -1.129 1.00 0.00 C ATOM 482 CE LYS A 642 -12.838 -9.901 -1.625 1.00 0.00 C ATOM 483 NZ LYS A 642 -12.237 -10.863 -0.677 1.00 0.00 N ATOM 0 H LYS A 642 -14.583 -3.893 -0.845 1.00 0.00 H new ATOM 0 HA LYS A 642 -14.376 -6.561 -2.109 1.00 0.00 H new ATOM 0 HB2 LYS A 642 -13.093 -6.126 0.196 1.00 0.00 H new ATOM 0 HB3 LYS A 642 -14.701 -6.378 0.847 1.00 0.00 H new ATOM 0 HG2 LYS A 642 -13.711 -8.542 0.796 1.00 0.00 H new ATOM 0 HG3 LYS A 642 -14.820 -8.517 -0.561 1.00 0.00 H new ATOM 0 HD2 LYS A 642 -12.745 -7.782 -1.983 1.00 0.00 H new ATOM 0 HD3 LYS A 642 -11.789 -8.317 -0.615 1.00 0.00 H new ATOM 0 HE2 LYS A 642 -13.885 -10.158 -1.784 1.00 0.00 H new ATOM 0 HE3 LYS A 642 -12.339 -9.985 -2.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 642 -12.328 -11.827 -1.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 642 -11.231 -10.636 -0.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 642 -12.729 -10.803 0.237 1.00 0.00 H new ATOM 497 N SER A 643 -16.811 -4.858 -1.770 1.00 0.00 N ATOM 498 CA SER A 643 -18.259 -4.734 -1.873 1.00 0.00 C ATOM 499 C SER A 643 -18.812 -5.717 -2.910 1.00 0.00 C ATOM 500 O SER A 643 -18.115 -6.095 -3.856 1.00 0.00 O ATOM 501 CB SER A 643 -18.620 -3.295 -2.257 1.00 0.00 C ATOM 502 OG SER A 643 -17.762 -2.352 -1.645 1.00 0.00 O ATOM 0 H SER A 643 -16.308 -4.030 -2.088 1.00 0.00 H new ATOM 0 HA SER A 643 -18.706 -4.973 -0.908 1.00 0.00 H new ATOM 0 HB2 SER A 643 -18.566 -3.185 -3.340 1.00 0.00 H new ATOM 0 HB3 SER A 643 -19.650 -3.090 -1.966 1.00 0.00 H new ATOM 0 HG SER A 643 -18.248 -1.514 -1.499 1.00 0.00 H new ATOM 508 N LEU A 644 -20.089 -6.082 -2.768 1.00 0.00 N ATOM 509 CA LEU A 644 -20.818 -7.003 -3.648 1.00 0.00 C ATOM 510 C LEU A 644 -21.763 -6.284 -4.617 1.00 0.00 C ATOM 511 O LEU A 644 -22.492 -6.933 -5.374 1.00 0.00 O ATOM 512 CB LEU A 644 -21.592 -8.029 -2.804 1.00 0.00 C ATOM 513 CG LEU A 644 -22.897 -7.527 -2.145 1.00 0.00 C ATOM 514 CD1 LEU A 644 -23.480 -8.691 -1.336 1.00 0.00 C ATOM 515 CD2 LEU A 644 -22.714 -6.336 -1.201 1.00 0.00 C ATOM 0 H LEU A 644 -20.668 -5.730 -2.006 1.00 0.00 H new ATOM 0 HA LEU A 644 -20.076 -7.514 -4.262 1.00 0.00 H new ATOM 0 HB2 LEU A 644 -21.835 -8.881 -3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 644 -20.931 -8.395 -2.019 1.00 0.00 H new ATOM 0 HG LEU A 644 -23.550 -7.185 -2.948 1.00 0.00 H new ATOM 0 HD11 LEU A 644 -24.405 -8.373 -0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 644 -23.687 -9.529 -2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 644 -22.763 -9.000 -0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 644 -23.680 -6.050 -0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 644 -22.037 -6.613 -0.393 1.00 0.00 H new ATOM 0 HD23 LEU A 644 -22.294 -5.495 -1.753 1.00 0.00 H new ATOM 527 N ALA A 645 -21.815 -4.955 -4.553 1.00 0.00 N ATOM 528 CA ALA A 645 -22.646 -4.119 -5.397 1.00 0.00 C ATOM 529 C ALA A 645 -21.744 -2.996 -5.905 1.00 0.00 C ATOM 530 O ALA A 645 -21.210 -3.092 -7.008 1.00 0.00 O ATOM 531 CB ALA A 645 -23.882 -3.636 -4.628 1.00 0.00 C ATOM 0 H ALA A 645 -21.258 -4.419 -3.887 1.00 0.00 H new ATOM 0 HA ALA A 645 -23.054 -4.658 -6.252 1.00 0.00 H new ATOM 0 HB1 ALA A 645 -24.493 -3.010 -5.278 1.00 0.00 H new ATOM 0 HB2 ALA A 645 -24.465 -4.496 -4.299 1.00 0.00 H new ATOM 0 HB3 ALA A 645 -23.567 -3.058 -3.759 1.00 0.00 H new ATOM 537 N GLU A 646 -21.533 -1.973 -5.082 1.00 0.00 N ATOM 538 CA GLU A 646 -20.703 -0.801 -5.335 1.00 0.00 C ATOM 539 C GLU A 646 -20.112 -0.347 -3.991 1.00 0.00 C ATOM 540 O GLU A 646 -20.475 -0.905 -2.950 1.00 0.00 O ATOM 541 CB GLU A 646 -21.560 0.299 -5.990 1.00 0.00 C ATOM 542 CG GLU A 646 -21.126 0.542 -7.442 1.00 0.00 C ATOM 543 CD GLU A 646 -19.730 1.173 -7.584 1.00 0.00 C ATOM 544 OE1 GLU A 646 -19.296 1.905 -6.662 1.00 0.00 O ATOM 545 OE2 GLU A 646 -19.091 0.997 -8.650 1.00 0.00 O ATOM 0 H GLU A 646 -21.967 -1.939 -4.159 1.00 0.00 H new ATOM 0 HA GLU A 646 -19.887 -1.028 -6.021 1.00 0.00 H new ATOM 0 HB2 GLU A 646 -22.611 0.010 -5.964 1.00 0.00 H new ATOM 0 HB3 GLU A 646 -21.469 1.224 -5.420 1.00 0.00 H new ATOM 0 HG2 GLU A 646 -21.140 -0.407 -7.978 1.00 0.00 H new ATOM 0 HG3 GLU A 646 -21.857 1.191 -7.924 1.00 0.00 H new ATOM 552 N LEU A 647 -19.224 0.648 -3.973 1.00 0.00 N ATOM 553 CA LEU A 647 -18.616 1.162 -2.743 1.00 0.00 C ATOM 554 C LEU A 647 -19.043 2.607 -2.539 1.00 0.00 C ATOM 555 O LEU A 647 -19.469 2.961 -1.435 1.00 0.00 O ATOM 556 CB LEU A 647 -17.087 0.988 -2.756 1.00 0.00 C ATOM 557 CG LEU A 647 -16.376 1.688 -1.577 1.00 0.00 C ATOM 558 CD1 LEU A 647 -16.839 1.189 -0.205 1.00 0.00 C ATOM 559 CD2 LEU A 647 -14.873 1.440 -1.655 1.00 0.00 C ATOM 0 H LEU A 647 -18.904 1.124 -4.817 1.00 0.00 H new ATOM 0 HA LEU A 647 -18.971 0.582 -1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 647 -16.850 -0.076 -2.732 1.00 0.00 H new ATOM 0 HB3 LEU A 647 -16.693 1.382 -3.693 1.00 0.00 H new ATOM 0 HG LEU A 647 -16.626 2.745 -1.668 1.00 0.00 H new ATOM 0 HD11 LEU A 647 -16.299 1.723 0.577 1.00 0.00 H new ATOM 0 HD12 LEU A 647 -17.909 1.368 -0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 647 -16.639 0.121 -0.120 1.00 0.00 H new ATOM 0 HD21 LEU A 647 -14.378 1.937 -0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 647 -14.678 0.369 -1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 647 -14.487 1.837 -2.594 1.00 0.00 H new ATOM 571 N GLY A 648 -19.009 3.428 -3.587 1.00 0.00 N ATOM 572 CA GLY A 648 -19.387 4.835 -3.530 1.00 0.00 C ATOM 573 C GLY A 648 -18.185 5.768 -3.556 1.00 0.00 C ATOM 574 O GLY A 648 -18.382 6.974 -3.446 1.00 0.00 O ATOM 0 H GLY A 648 -18.712 3.127 -4.515 1.00 0.00 H new ATOM 0 HA2 GLY A 648 -20.039 5.066 -4.372 1.00 0.00 H new ATOM 0 HA3 GLY A 648 -19.962 5.016 -2.622 1.00 0.00 H new ATOM 578 N ASP A 649 -16.977 5.222 -3.731 1.00 0.00 N ATOM 579 CA ASP A 649 -15.694 5.915 -3.797 1.00 0.00 C ATOM 580 C ASP A 649 -15.374 6.669 -2.510 1.00 0.00 C ATOM 581 O ASP A 649 -15.780 7.811 -2.286 1.00 0.00 O ATOM 582 CB ASP A 649 -15.572 6.786 -5.055 1.00 0.00 C ATOM 583 CG ASP A 649 -15.155 5.936 -6.247 1.00 0.00 C ATOM 584 OD1 ASP A 649 -15.979 5.122 -6.732 1.00 0.00 O ATOM 585 OD2 ASP A 649 -13.987 6.045 -6.680 1.00 0.00 O ATOM 0 H ASP A 649 -16.867 4.214 -3.837 1.00 0.00 H new ATOM 0 HA ASP A 649 -14.924 5.149 -3.887 1.00 0.00 H new ATOM 0 HB2 ASP A 649 -16.525 7.273 -5.262 1.00 0.00 H new ATOM 0 HB3 ASP A 649 -14.840 7.576 -4.889 1.00 0.00 H new ATOM 590 N CYS A 650 -14.684 5.978 -1.605 1.00 0.00 N ATOM 591 CA CYS A 650 -14.254 6.519 -0.330 1.00 0.00 C ATOM 592 C CYS A 650 -13.180 7.591 -0.594 1.00 0.00 C ATOM 593 O CYS A 650 -12.689 7.751 -1.715 1.00 0.00 O ATOM 594 CB CYS A 650 -13.672 5.371 0.508 1.00 0.00 C ATOM 595 SG CYS A 650 -13.313 5.756 2.244 1.00 0.00 S ATOM 0 H CYS A 650 -14.406 5.007 -1.746 1.00 0.00 H new ATOM 0 HA CYS A 650 -15.086 6.972 0.209 1.00 0.00 H new ATOM 0 HB2 CYS A 650 -14.372 4.536 0.479 1.00 0.00 H new ATOM 0 HB3 CYS A 650 -12.751 5.032 0.034 1.00 0.00 H new ATOM 600 N ASN A 651 -12.813 8.354 0.436 1.00 0.00 N ATOM 601 CA ASN A 651 -11.767 9.372 0.306 1.00 0.00 C ATOM 602 C ASN A 651 -10.391 8.698 0.341 1.00 0.00 C ATOM 603 O ASN A 651 -9.393 9.309 -0.029 1.00 0.00 O ATOM 604 CB ASN A 651 -11.853 10.379 1.458 1.00 0.00 C ATOM 605 CG ASN A 651 -12.743 11.569 1.153 1.00 0.00 C ATOM 606 OD1 ASN A 651 -12.328 12.707 1.349 1.00 0.00 O ATOM 607 ND2 ASN A 651 -13.974 11.372 0.711 1.00 0.00 N ATOM 0 H ASN A 651 -13.223 8.288 1.368 1.00 0.00 H new ATOM 0 HA ASN A 651 -11.907 9.895 -0.640 1.00 0.00 H new ATOM 0 HB2 ASN A 651 -12.229 9.872 2.347 1.00 0.00 H new ATOM 0 HB3 ASN A 651 -10.851 10.736 1.695 1.00 0.00 H new ATOM 0 HD21 ASN A 651 -14.585 12.169 0.531 1.00 0.00 H new ATOM 0 HD22 ASN A 651 -14.312 10.423 0.550 1.00 0.00 H new ATOM 614 N GLU A 652 -10.337 7.452 0.810 1.00 0.00 N ATOM 615 CA GLU A 652 -9.155 6.629 0.939 1.00 0.00 C ATOM 616 C GLU A 652 -8.596 6.251 -0.436 1.00 0.00 C ATOM 617 O GLU A 652 -9.239 6.445 -1.472 1.00 0.00 O ATOM 618 CB GLU A 652 -9.605 5.410 1.738 1.00 0.00 C ATOM 619 CG GLU A 652 -8.543 4.396 2.121 1.00 0.00 C ATOM 620 CD GLU A 652 -7.359 4.950 2.904 1.00 0.00 C ATOM 621 OE1 GLU A 652 -6.393 5.426 2.272 1.00 0.00 O ATOM 622 OE2 GLU A 652 -7.354 4.775 4.144 1.00 0.00 O ATOM 0 H GLU A 652 -11.177 6.968 1.128 1.00 0.00 H new ATOM 0 HA GLU A 652 -8.340 7.149 1.444 1.00 0.00 H new ATOM 0 HB2 GLU A 652 -10.079 5.764 2.654 1.00 0.00 H new ATOM 0 HB3 GLU A 652 -10.372 4.893 1.161 1.00 0.00 H new ATOM 0 HG2 GLU A 652 -9.012 3.610 2.713 1.00 0.00 H new ATOM 0 HG3 GLU A 652 -8.167 3.928 1.211 1.00 0.00 H new ATOM 629 N ASP A 653 -7.389 5.699 -0.434 1.00 0.00 N ATOM 630 CA ASP A 653 -6.648 5.275 -1.621 1.00 0.00 C ATOM 631 C ASP A 653 -6.593 3.741 -1.734 1.00 0.00 C ATOM 632 O ASP A 653 -6.883 2.989 -0.787 1.00 0.00 O ATOM 633 CB ASP A 653 -5.238 5.912 -1.580 1.00 0.00 C ATOM 634 CG ASP A 653 -4.611 6.161 -2.959 1.00 0.00 C ATOM 635 OD1 ASP A 653 -4.792 5.337 -3.882 1.00 0.00 O ATOM 636 OD2 ASP A 653 -3.940 7.206 -3.136 1.00 0.00 O ATOM 0 H ASP A 653 -6.876 5.526 0.430 1.00 0.00 H new ATOM 0 HA ASP A 653 -7.163 5.621 -2.517 1.00 0.00 H new ATOM 0 HB2 ASP A 653 -5.297 6.860 -1.045 1.00 0.00 H new ATOM 0 HB3 ASP A 653 -4.577 5.263 -1.006 1.00 0.00 H new ATOM 641 N LEU A 654 -6.232 3.275 -2.926 1.00 0.00 N ATOM 642 CA LEU A 654 -6.072 1.890 -3.338 1.00 0.00 C ATOM 643 C LEU A 654 -4.595 1.580 -3.591 1.00 0.00 C ATOM 644 O LEU A 654 -4.258 0.403 -3.684 1.00 0.00 O ATOM 645 CB LEU A 654 -6.916 1.585 -4.584 1.00 0.00 C ATOM 646 CG LEU A 654 -8.449 1.544 -4.393 1.00 0.00 C ATOM 647 CD1 LEU A 654 -9.046 0.917 -5.648 1.00 0.00 C ATOM 648 CD2 LEU A 654 -8.907 0.734 -3.176 1.00 0.00 C ATOM 0 H LEU A 654 -6.027 3.915 -3.693 1.00 0.00 H new ATOM 0 HA LEU A 654 -6.427 1.249 -2.532 1.00 0.00 H new ATOM 0 HB2 LEU A 654 -6.688 2.335 -5.341 1.00 0.00 H new ATOM 0 HB3 LEU A 654 -6.597 0.622 -4.983 1.00 0.00 H new ATOM 0 HG LEU A 654 -8.786 2.566 -4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 654 -10.131 0.871 -5.551 1.00 0.00 H new ATOM 0 HD12 LEU A 654 -8.785 1.522 -6.516 1.00 0.00 H new ATOM 0 HD13 LEU A 654 -8.650 -0.090 -5.775 1.00 0.00 H new ATOM 0 HD21 LEU A 654 -9.995 0.755 -3.113 1.00 0.00 H new ATOM 0 HD22 LEU A 654 -8.569 -0.297 -3.277 1.00 0.00 H new ATOM 0 HD23 LEU A 654 -8.483 1.167 -2.270 1.00 0.00 H new ATOM 660 N GLU A 655 -3.704 2.571 -3.709 1.00 0.00 N ATOM 661 CA GLU A 655 -2.261 2.392 -3.901 1.00 0.00 C ATOM 662 C GLU A 655 -1.558 3.307 -2.913 1.00 0.00 C ATOM 663 O GLU A 655 -1.962 4.454 -2.719 1.00 0.00 O ATOM 664 CB GLU A 655 -1.774 2.705 -5.319 1.00 0.00 C ATOM 665 CG GLU A 655 -0.229 2.728 -5.398 1.00 0.00 C ATOM 666 CD GLU A 655 0.324 2.802 -6.819 1.00 0.00 C ATOM 667 OE1 GLU A 655 -0.323 3.387 -7.717 1.00 0.00 O ATOM 668 OE2 GLU A 655 1.470 2.331 -6.991 1.00 0.00 O ATOM 0 H GLU A 655 -3.977 3.553 -3.672 1.00 0.00 H new ATOM 0 HA GLU A 655 -2.031 1.339 -3.737 1.00 0.00 H new ATOM 0 HB2 GLU A 655 -2.163 1.958 -6.011 1.00 0.00 H new ATOM 0 HB3 GLU A 655 -2.170 3.670 -5.636 1.00 0.00 H new ATOM 0 HG2 GLU A 655 0.140 3.583 -4.832 1.00 0.00 H new ATOM 0 HG3 GLU A 655 0.162 1.833 -4.914 1.00 0.00 H new ATOM 675 N GLN A 656 -0.505 2.797 -2.285 1.00 0.00 N ATOM 676 CA GLN A 656 0.291 3.533 -1.328 1.00 0.00 C ATOM 677 C GLN A 656 1.738 3.087 -1.426 1.00 0.00 C ATOM 678 O GLN A 656 2.058 1.966 -1.827 1.00 0.00 O ATOM 679 CB GLN A 656 -0.235 3.332 0.105 1.00 0.00 C ATOM 680 CG GLN A 656 -1.190 4.471 0.508 1.00 0.00 C ATOM 681 CD GLN A 656 -1.607 4.401 1.974 1.00 0.00 C ATOM 682 OE1 GLN A 656 -0.864 3.920 2.834 1.00 0.00 O ATOM 683 NE2 GLN A 656 -2.773 4.909 2.320 1.00 0.00 N ATOM 0 H GLN A 656 -0.180 1.842 -2.434 1.00 0.00 H new ATOM 0 HA GLN A 656 0.221 4.596 -1.561 1.00 0.00 H new ATOM 0 HB2 GLN A 656 -0.754 2.376 0.175 1.00 0.00 H new ATOM 0 HB3 GLN A 656 0.603 3.292 0.801 1.00 0.00 H new ATOM 0 HG2 GLN A 656 -0.706 5.429 0.318 1.00 0.00 H new ATOM 0 HG3 GLN A 656 -2.080 4.433 -0.120 1.00 0.00 H new ATOM 0 HE21 GLN A 656 -3.387 5.307 1.609 1.00 0.00 H new ATOM 0 HE22 GLN A 656 -3.061 4.905 3.298 1.00 0.00 H new ATOM 692 N ALA A 657 2.605 3.991 -0.991 1.00 0.00 N ATOM 693 CA ALA A 657 4.041 3.824 -0.951 1.00 0.00 C ATOM 694 C ALA A 657 4.528 4.056 0.474 1.00 0.00 C ATOM 695 O ALA A 657 3.790 4.588 1.312 1.00 0.00 O ATOM 696 CB ALA A 657 4.689 4.810 -1.919 1.00 0.00 C ATOM 0 H ALA A 657 2.306 4.901 -0.641 1.00 0.00 H new ATOM 0 HA ALA A 657 4.316 2.813 -1.253 1.00 0.00 H new ATOM 0 HB1 ALA A 657 5.772 4.688 -1.892 1.00 0.00 H new ATOM 0 HB2 ALA A 657 4.327 4.619 -2.929 1.00 0.00 H new ATOM 0 HB3 ALA A 657 4.432 5.828 -1.628 1.00 0.00 H new ATOM 702 N GLU A 658 5.766 3.681 0.764 1.00 0.00 N ATOM 703 CA GLU A 658 6.381 3.853 2.069 1.00 0.00 C ATOM 704 C GLU A 658 7.888 3.942 1.851 1.00 0.00 C ATOM 705 O GLU A 658 8.482 3.158 1.109 1.00 0.00 O ATOM 706 CB GLU A 658 5.963 2.727 3.021 1.00 0.00 C ATOM 707 CG GLU A 658 6.519 2.912 4.433 1.00 0.00 C ATOM 708 CD GLU A 658 5.928 1.864 5.375 1.00 0.00 C ATOM 709 OE1 GLU A 658 4.750 2.014 5.764 1.00 0.00 O ATOM 710 OE2 GLU A 658 6.654 0.902 5.716 1.00 0.00 O ATOM 0 H GLU A 658 6.383 3.239 0.082 1.00 0.00 H new ATOM 0 HA GLU A 658 6.044 4.770 2.553 1.00 0.00 H new ATOM 0 HB2 GLU A 658 4.875 2.680 3.067 1.00 0.00 H new ATOM 0 HB3 GLU A 658 6.307 1.773 2.622 1.00 0.00 H new ATOM 0 HG2 GLU A 658 7.606 2.826 4.418 1.00 0.00 H new ATOM 0 HG3 GLU A 658 6.283 3.912 4.796 1.00 0.00 H new ATOM 717 N LYS A 659 8.493 4.973 2.432 1.00 0.00 N ATOM 718 CA LYS A 659 9.913 5.266 2.371 1.00 0.00 C ATOM 719 C LYS A 659 10.670 4.070 2.944 1.00 0.00 C ATOM 720 O LYS A 659 10.279 3.536 3.985 1.00 0.00 O ATOM 721 CB LYS A 659 10.161 6.562 3.154 1.00 0.00 C ATOM 722 CG LYS A 659 9.504 7.774 2.466 1.00 0.00 C ATOM 723 CD LYS A 659 9.558 9.018 3.362 1.00 0.00 C ATOM 724 CE LYS A 659 8.903 10.258 2.735 1.00 0.00 C ATOM 725 NZ LYS A 659 9.487 10.613 1.424 1.00 0.00 N ATOM 0 H LYS A 659 7.977 5.658 2.984 1.00 0.00 H new ATOM 0 HA LYS A 659 10.266 5.420 1.351 1.00 0.00 H new ATOM 0 HB2 LYS A 659 9.766 6.458 4.165 1.00 0.00 H new ATOM 0 HB3 LYS A 659 11.234 6.732 3.246 1.00 0.00 H new ATOM 0 HG2 LYS A 659 10.011 7.979 1.523 1.00 0.00 H new ATOM 0 HG3 LYS A 659 8.467 7.541 2.226 1.00 0.00 H new ATOM 0 HD2 LYS A 659 9.064 8.796 4.308 1.00 0.00 H new ATOM 0 HD3 LYS A 659 10.599 9.245 3.592 1.00 0.00 H new ATOM 0 HE2 LYS A 659 7.835 10.078 2.615 1.00 0.00 H new ATOM 0 HE3 LYS A 659 9.009 11.103 3.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 659 9.080 11.512 1.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 659 10.518 10.714 1.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 659 9.274 9.864 0.735 1.00 0.00 H new ATOM 739 N CYS A 660 11.712 3.620 2.244 1.00 0.00 N ATOM 740 CA CYS A 660 12.515 2.486 2.657 1.00 0.00 C ATOM 741 C CYS A 660 13.950 2.682 2.176 1.00 0.00 C ATOM 742 O CYS A 660 14.311 2.236 1.082 1.00 0.00 O ATOM 743 CB CYS A 660 11.892 1.194 2.116 1.00 0.00 C ATOM 744 SG CYS A 660 12.756 -0.326 2.578 1.00 0.00 S ATOM 0 H CYS A 660 12.019 4.042 1.367 1.00 0.00 H new ATOM 0 HA CYS A 660 12.538 2.409 3.744 1.00 0.00 H new ATOM 0 HB2 CYS A 660 10.863 1.130 2.469 1.00 0.00 H new ATOM 0 HB3 CYS A 660 11.853 1.255 1.028 1.00 0.00 H new ATOM 749 N MET A 661 14.736 3.432 2.946 1.00 0.00 N ATOM 750 CA MET A 661 16.135 3.695 2.635 1.00 0.00 C ATOM 751 C MET A 661 16.940 2.498 3.131 1.00 0.00 C ATOM 752 O MET A 661 16.963 2.201 4.329 1.00 0.00 O ATOM 753 CB MET A 661 16.654 4.978 3.295 1.00 0.00 C ATOM 754 CG MET A 661 15.741 6.190 3.051 1.00 0.00 C ATOM 755 SD MET A 661 16.343 7.763 3.722 1.00 0.00 S ATOM 756 CE MET A 661 17.565 8.207 2.469 1.00 0.00 C ATOM 0 H MET A 661 14.416 3.875 3.807 1.00 0.00 H new ATOM 0 HA MET A 661 16.239 3.838 1.559 1.00 0.00 H new ATOM 0 HB2 MET A 661 16.752 4.814 4.368 1.00 0.00 H new ATOM 0 HB3 MET A 661 17.651 5.198 2.914 1.00 0.00 H new ATOM 0 HG2 MET A 661 15.596 6.304 1.977 1.00 0.00 H new ATOM 0 HG3 MET A 661 14.763 5.980 3.484 1.00 0.00 H new ATOM 0 HE1 MET A 661 18.363 8.790 2.929 1.00 0.00 H new ATOM 0 HE2 MET A 661 17.984 7.301 2.032 1.00 0.00 H new ATOM 0 HE3 MET A 661 17.087 8.799 1.688 1.00 0.00 H new ATOM 766 N LEU A 662 17.523 1.751 2.207 1.00 0.00 N ATOM 767 CA LEU A 662 18.342 0.587 2.517 1.00 0.00 C ATOM 768 C LEU A 662 19.728 1.083 2.955 1.00 0.00 C ATOM 769 O LEU A 662 20.040 2.263 2.742 1.00 0.00 O ATOM 770 CB LEU A 662 18.494 -0.259 1.238 1.00 0.00 C ATOM 771 CG LEU A 662 17.402 -1.280 0.893 1.00 0.00 C ATOM 772 CD1 LEU A 662 17.494 -2.557 1.722 1.00 0.00 C ATOM 773 CD2 LEU A 662 16.000 -0.692 0.975 1.00 0.00 C ATOM 0 H LEU A 662 17.440 1.937 1.208 1.00 0.00 H new ATOM 0 HA LEU A 662 17.885 -0.010 3.306 1.00 0.00 H new ATOM 0 HB2 LEU A 662 18.581 0.428 0.396 1.00 0.00 H new ATOM 0 HB3 LEU A 662 19.439 -0.798 1.309 1.00 0.00 H new ATOM 0 HG LEU A 662 17.590 -1.551 -0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 662 16.695 -3.238 1.431 1.00 0.00 H new ATOM 0 HD12 LEU A 662 18.459 -3.034 1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 662 17.395 -2.312 2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 662 15.268 -1.459 0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 662 15.814 -0.334 1.988 1.00 0.00 H new ATOM 0 HD23 LEU A 662 15.912 0.139 0.275 1.00 0.00 H new ATOM 785 N PRO A 663 20.570 0.235 3.575 1.00 0.00 N ATOM 786 CA PRO A 663 21.911 0.647 3.969 1.00 0.00 C ATOM 787 C PRO A 663 22.715 0.882 2.679 1.00 0.00 C ATOM 788 O PRO A 663 22.256 0.546 1.589 1.00 0.00 O ATOM 789 CB PRO A 663 22.459 -0.502 4.821 1.00 0.00 C ATOM 790 CG PRO A 663 21.713 -1.727 4.294 1.00 0.00 C ATOM 791 CD PRO A 663 20.347 -1.169 3.889 1.00 0.00 C ATOM 0 HA PRO A 663 21.953 1.569 4.548 1.00 0.00 H new ATOM 0 HB2 PRO A 663 23.538 -0.609 4.705 1.00 0.00 H new ATOM 0 HB3 PRO A 663 22.267 -0.341 5.882 1.00 0.00 H new ATOM 0 HG2 PRO A 663 22.230 -2.177 3.446 1.00 0.00 H new ATOM 0 HG3 PRO A 663 21.620 -2.499 5.058 1.00 0.00 H new ATOM 0 HD2 PRO A 663 19.946 -1.703 3.028 1.00 0.00 H new ATOM 0 HD3 PRO A 663 19.624 -1.279 4.697 1.00 0.00 H new ATOM 799 N GLU A 664 23.894 1.485 2.748 1.00 0.00 N ATOM 800 CA GLU A 664 24.686 1.731 1.543 1.00 0.00 C ATOM 801 C GLU A 664 25.192 0.416 0.935 1.00 0.00 C ATOM 802 O GLU A 664 25.309 -0.601 1.630 1.00 0.00 O ATOM 803 CB GLU A 664 25.813 2.701 1.877 1.00 0.00 C ATOM 804 CG GLU A 664 26.894 2.095 2.785 1.00 0.00 C ATOM 805 CD GLU A 664 27.571 3.138 3.682 1.00 0.00 C ATOM 806 OE1 GLU A 664 27.449 4.358 3.404 1.00 0.00 O ATOM 807 OE2 GLU A 664 28.109 2.742 4.737 1.00 0.00 O ATOM 0 H GLU A 664 24.323 1.811 3.614 1.00 0.00 H new ATOM 0 HA GLU A 664 24.061 2.191 0.777 1.00 0.00 H new ATOM 0 HB2 GLU A 664 26.276 3.040 0.950 1.00 0.00 H new ATOM 0 HB3 GLU A 664 25.392 3.581 2.364 1.00 0.00 H new ATOM 0 HG2 GLU A 664 26.446 1.322 3.409 1.00 0.00 H new ATOM 0 HG3 GLU A 664 27.649 1.608 2.168 1.00 0.00 H new ATOM 814 N CYS A 665 25.476 0.415 -0.369 1.00 0.00 N ATOM 815 CA CYS A 665 25.965 -0.790 -1.033 1.00 0.00 C ATOM 816 C CYS A 665 27.410 -1.078 -0.603 1.00 0.00 C ATOM 817 O CYS A 665 28.152 -0.123 -0.353 1.00 0.00 O ATOM 818 CB CYS A 665 25.922 -0.647 -2.559 1.00 0.00 C ATOM 819 SG CYS A 665 24.381 -1.164 -3.351 1.00 0.00 S ATOM 0 H CYS A 665 25.377 1.227 -0.979 1.00 0.00 H new ATOM 0 HA CYS A 665 25.313 -1.613 -0.740 1.00 0.00 H new ATOM 0 HB2 CYS A 665 26.107 0.397 -2.813 1.00 0.00 H new ATOM 0 HB3 CYS A 665 26.740 -1.229 -2.983 1.00 0.00 H new ATOM 824 N PRO A 666 27.816 -2.358 -0.539 1.00 0.00 N ATOM 825 CA PRO A 666 29.171 -2.746 -0.172 1.00 0.00 C ATOM 826 C PRO A 666 30.109 -2.393 -1.322 1.00 0.00 C ATOM 827 O PRO A 666 31.196 -1.851 -1.057 1.00 0.00 O ATOM 828 CB PRO A 666 29.114 -4.252 0.086 1.00 0.00 C ATOM 829 CG PRO A 666 27.975 -4.725 -0.818 1.00 0.00 C ATOM 830 CD PRO A 666 27.010 -3.541 -0.812 1.00 0.00 C ATOM 0 HA PRO A 666 29.544 -2.231 0.713 1.00 0.00 H new ATOM 0 HB2 PRO A 666 30.056 -4.739 -0.167 1.00 0.00 H new ATOM 0 HB3 PRO A 666 28.913 -4.473 1.134 1.00 0.00 H new ATOM 0 HG2 PRO A 666 28.327 -4.952 -1.824 1.00 0.00 H new ATOM 0 HG3 PRO A 666 27.505 -5.630 -0.433 1.00 0.00 H new ATOM 0 HD2 PRO A 666 26.499 -3.451 -1.771 1.00 0.00 H new ATOM 0 HD3 PRO A 666 26.240 -3.671 -0.052 1.00 0.00 H new TER 838 PRO A 666