USER MOD reduce.3.24.130724 H: found=0, std=0, add=354, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 357 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 631 SER OG : rot 180:sc= 0 USER MOD Single : A 633 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 634 THR OG1 : rot 180:sc= -0.861 USER MOD Single : A 638 GLN : amide:sc=-0.00655 K(o=-0.0066,f=-1.2) USER MOD Single : A 641 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 643 ASN : amide:sc= -1.02 K(o=-1,f=-3.6!) USER MOD Single : A 646 THR OG1 : rot -53:sc= 0.252 USER MOD Single : A 650 GLN : amide:sc= -1.19 K(o=-1.2,f=-4.7!) USER MOD Single : A 659 THR OG1 : rot 180:sc= 0 USER MOD Single : A 673 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 630 10.038 -16.691 6.743 1.00 0.00 N ATOM 2 CA GLY A 630 9.709 -15.805 5.593 1.00 0.00 C ATOM 3 C GLY A 630 10.892 -15.587 4.670 1.00 0.00 C ATOM 4 O GLY A 630 12.037 -15.537 5.120 1.00 0.00 O ATOM 0 HA2 GLY A 630 8.886 -16.241 5.027 1.00 0.00 H new ATOM 0 HA3 GLY A 630 9.363 -14.842 5.968 1.00 0.00 H new ATOM 10 N SER A 631 10.616 -15.456 3.377 1.00 0.00 N ATOM 11 CA SER A 631 11.666 -15.241 2.389 1.00 0.00 C ATOM 12 C SER A 631 11.930 -13.752 2.191 1.00 0.00 C ATOM 13 O SER A 631 13.080 -13.325 2.092 1.00 0.00 O ATOM 14 CB SER A 631 11.285 -15.888 1.056 1.00 0.00 C ATOM 15 OG SER A 631 11.863 -17.176 0.930 1.00 0.00 O ATOM 0 H SER A 631 9.674 -15.495 2.989 1.00 0.00 H new ATOM 0 HA SER A 631 12.579 -15.707 2.760 1.00 0.00 H new ATOM 0 HB2 SER A 631 10.200 -15.964 0.982 1.00 0.00 H new ATOM 0 HB3 SER A 631 11.617 -15.255 0.233 1.00 0.00 H new ATOM 0 HG SER A 631 11.603 -17.569 0.071 1.00 0.00 H new ATOM 21 N ASP A 632 10.860 -12.963 2.139 1.00 0.00 N ATOM 22 CA ASP A 632 10.988 -11.523 1.958 1.00 0.00 C ATOM 23 C ASP A 632 9.965 -10.764 2.799 1.00 0.00 C ATOM 24 O ASP A 632 10.214 -10.446 3.962 1.00 0.00 O ATOM 25 CB ASP A 632 10.859 -11.152 0.479 1.00 0.00 C ATOM 26 CG ASP A 632 11.051 -9.668 0.234 1.00 0.00 C ATOM 27 OD1 ASP A 632 10.282 -8.867 0.807 1.00 0.00 O ATOM 28 OD2 ASP A 632 11.971 -9.307 -0.529 1.00 0.00 O ATOM 0 H ASP A 632 9.899 -13.296 2.219 1.00 0.00 H new ATOM 0 HA ASP A 632 11.980 -11.230 2.301 1.00 0.00 H new ATOM 0 HB2 ASP A 632 11.596 -11.711 -0.098 1.00 0.00 H new ATOM 0 HB3 ASP A 632 9.876 -11.453 0.117 1.00 0.00 H new ATOM 33 N LYS A 633 8.819 -10.475 2.203 1.00 0.00 N ATOM 34 CA LYS A 633 7.752 -9.751 2.885 1.00 0.00 C ATOM 35 C LYS A 633 7.295 -10.495 4.134 1.00 0.00 C ATOM 36 O LYS A 633 7.013 -9.884 5.165 1.00 0.00 O ATOM 37 CB LYS A 633 6.566 -9.545 1.940 1.00 0.00 C ATOM 38 CG LYS A 633 6.029 -10.839 1.350 1.00 0.00 C ATOM 39 CD LYS A 633 4.953 -10.572 0.308 1.00 0.00 C ATOM 40 CE LYS A 633 5.512 -9.833 -0.898 1.00 0.00 C ATOM 41 NZ LYS A 633 4.876 -8.498 -1.074 1.00 0.00 N ATOM 0 H LYS A 633 8.601 -10.732 1.240 1.00 0.00 H new ATOM 0 HA LYS A 633 8.144 -8.780 3.188 1.00 0.00 H new ATOM 0 HB2 LYS A 633 5.764 -9.041 2.480 1.00 0.00 H new ATOM 0 HB3 LYS A 633 6.869 -8.883 1.129 1.00 0.00 H new ATOM 0 HG2 LYS A 633 6.846 -11.400 0.896 1.00 0.00 H new ATOM 0 HG3 LYS A 633 5.620 -11.461 2.146 1.00 0.00 H new ATOM 0 HD2 LYS A 633 4.516 -11.517 -0.014 1.00 0.00 H new ATOM 0 HD3 LYS A 633 4.151 -9.985 0.755 1.00 0.00 H new ATOM 0 HE2 LYS A 633 6.589 -9.710 -0.781 1.00 0.00 H new ATOM 0 HE3 LYS A 633 5.355 -10.431 -1.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 633 5.284 -8.026 -1.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 633 3.852 -8.617 -1.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 633 5.047 -7.918 -0.228 1.00 0.00 H new ATOM 55 N THR A 634 7.227 -11.818 4.037 1.00 0.00 N ATOM 56 CA THR A 634 6.806 -12.646 5.168 1.00 0.00 C ATOM 57 C THR A 634 6.911 -14.128 4.854 1.00 0.00 C ATOM 58 O THR A 634 7.102 -14.960 5.741 1.00 0.00 O ATOM 59 CB THR A 634 5.377 -12.296 5.596 1.00 0.00 C ATOM 60 OG1 THR A 634 4.773 -11.405 4.671 1.00 0.00 O ATOM 61 CG2 THR A 634 5.303 -11.662 6.970 1.00 0.00 C ATOM 0 H THR A 634 7.456 -12.341 3.192 1.00 0.00 H new ATOM 0 HA THR A 634 7.485 -12.432 5.993 1.00 0.00 H new ATOM 0 HB THR A 634 4.844 -13.247 5.624 1.00 0.00 H new ATOM 0 HG1 THR A 634 3.861 -11.197 4.964 1.00 0.00 H new ATOM 0 HG21 THR A 634 4.264 -11.439 7.212 1.00 0.00 H new ATOM 0 HG22 THR A 634 5.708 -12.351 7.711 1.00 0.00 H new ATOM 0 HG23 THR A 634 5.883 -10.739 6.977 1.00 0.00 H new ATOM 69 N LEU A 635 6.798 -14.434 3.587 1.00 0.00 N ATOM 70 CA LEU A 635 6.890 -15.806 3.103 1.00 0.00 C ATOM 71 C LEU A 635 6.685 -15.862 1.596 1.00 0.00 C ATOM 72 O LEU A 635 7.535 -16.374 0.868 1.00 0.00 O ATOM 73 CB LEU A 635 5.883 -16.716 3.820 1.00 0.00 C ATOM 74 CG LEU A 635 5.646 -18.086 3.169 1.00 0.00 C ATOM 75 CD1 LEU A 635 4.731 -17.961 1.957 1.00 0.00 C ATOM 76 CD2 LEU A 635 6.969 -18.734 2.777 1.00 0.00 C ATOM 0 H LEU A 635 6.639 -13.744 2.853 1.00 0.00 H new ATOM 0 HA LEU A 635 7.892 -16.172 3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 635 6.227 -16.874 4.842 1.00 0.00 H new ATOM 0 HB3 LEU A 635 4.928 -16.193 3.882 1.00 0.00 H new ATOM 0 HG LEU A 635 5.154 -18.726 3.902 1.00 0.00 H new ATOM 0 HD11 LEU A 635 4.578 -18.945 1.513 1.00 0.00 H new ATOM 0 HD12 LEU A 635 3.770 -17.550 2.267 1.00 0.00 H new ATOM 0 HD13 LEU A 635 5.189 -17.299 1.222 1.00 0.00 H new ATOM 0 HD21 LEU A 635 6.777 -19.704 2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 635 7.492 -18.093 2.067 1.00 0.00 H new ATOM 0 HD23 LEU A 635 7.585 -18.869 3.666 1.00 0.00 H new ATOM 88 N PRO A 636 5.568 -15.313 1.094 1.00 0.00 N ATOM 89 CA PRO A 636 5.302 -15.297 -0.341 1.00 0.00 C ATOM 90 C PRO A 636 6.454 -14.639 -1.086 1.00 0.00 C ATOM 91 O PRO A 636 6.679 -14.895 -2.268 1.00 0.00 O ATOM 92 CB PRO A 636 4.025 -14.464 -0.475 1.00 0.00 C ATOM 93 CG PRO A 636 3.397 -14.479 0.878 1.00 0.00 C ATOM 94 CD PRO A 636 4.513 -14.644 1.869 1.00 0.00 C ATOM 0 HA PRO A 636 5.193 -16.297 -0.761 1.00 0.00 H new ATOM 0 HB2 PRO A 636 4.252 -13.446 -0.791 1.00 0.00 H new ATOM 0 HB3 PRO A 636 3.356 -14.889 -1.223 1.00 0.00 H new ATOM 0 HG2 PRO A 636 2.850 -13.554 1.061 1.00 0.00 H new ATOM 0 HG3 PRO A 636 2.680 -15.295 0.963 1.00 0.00 H new ATOM 0 HD2 PRO A 636 4.849 -13.683 2.258 1.00 0.00 H new ATOM 0 HD3 PRO A 636 4.203 -15.243 2.725 1.00 0.00 H new ATOM 102 N ASP A 637 7.187 -13.797 -0.352 1.00 0.00 N ATOM 103 CA ASP A 637 8.346 -13.079 -0.876 1.00 0.00 C ATOM 104 C ASP A 637 8.239 -12.811 -2.373 1.00 0.00 C ATOM 105 O ASP A 637 9.165 -13.081 -3.139 1.00 0.00 O ATOM 106 CB ASP A 637 9.621 -13.853 -0.551 1.00 0.00 C ATOM 107 CG ASP A 637 9.806 -15.080 -1.425 1.00 0.00 C ATOM 108 OD1 ASP A 637 9.059 -16.063 -1.235 1.00 0.00 O ATOM 109 OD2 ASP A 637 10.698 -15.057 -2.299 1.00 0.00 O ATOM 0 H ASP A 637 6.989 -13.595 0.628 1.00 0.00 H new ATOM 0 HA ASP A 637 8.380 -12.104 -0.390 1.00 0.00 H new ATOM 0 HB2 ASP A 637 10.481 -13.194 -0.672 1.00 0.00 H new ATOM 0 HB3 ASP A 637 9.598 -14.158 0.495 1.00 0.00 H new ATOM 114 N GLN A 638 7.097 -12.271 -2.769 1.00 0.00 N ATOM 115 CA GLN A 638 6.829 -11.942 -4.167 1.00 0.00 C ATOM 116 C GLN A 638 7.298 -13.054 -5.104 1.00 0.00 C ATOM 117 O GLN A 638 8.215 -12.864 -5.903 1.00 0.00 O ATOM 118 CB GLN A 638 7.506 -10.621 -4.537 1.00 0.00 C ATOM 119 CG GLN A 638 8.996 -10.592 -4.239 1.00 0.00 C ATOM 120 CD GLN A 638 9.674 -9.347 -4.776 1.00 0.00 C ATOM 121 OE1 GLN A 638 9.102 -8.614 -5.583 1.00 0.00 O ATOM 122 NE2 GLN A 638 10.900 -9.101 -4.329 1.00 0.00 N ATOM 0 H GLN A 638 6.330 -12.048 -2.135 1.00 0.00 H new ATOM 0 HA GLN A 638 5.750 -11.839 -4.285 1.00 0.00 H new ATOM 0 HB2 GLN A 638 7.353 -10.430 -5.599 1.00 0.00 H new ATOM 0 HB3 GLN A 638 7.020 -9.810 -3.994 1.00 0.00 H new ATOM 0 HG2 GLN A 638 9.148 -10.648 -3.161 1.00 0.00 H new ATOM 0 HG3 GLN A 638 9.467 -11.474 -4.674 1.00 0.00 H new ATOM 0 HE21 GLN A 638 11.336 -9.736 -3.660 1.00 0.00 H new ATOM 0 HE22 GLN A 638 11.406 -8.277 -4.654 1.00 0.00 H new ATOM 131 N GLY A 639 6.661 -14.215 -4.997 1.00 0.00 N ATOM 132 CA GLY A 639 7.025 -15.341 -5.838 1.00 0.00 C ATOM 133 C GLY A 639 5.834 -15.923 -6.574 1.00 0.00 C ATOM 134 O GLY A 639 5.930 -16.258 -7.755 1.00 0.00 O ATOM 0 H GLY A 639 5.899 -14.397 -4.343 1.00 0.00 H new ATOM 0 HA2 GLY A 639 7.775 -15.023 -6.562 1.00 0.00 H new ATOM 0 HA3 GLY A 639 7.483 -16.116 -5.224 1.00 0.00 H new ATOM 138 N ASP A 640 4.710 -16.043 -5.876 1.00 0.00 N ATOM 139 CA ASP A 640 3.496 -16.589 -6.471 1.00 0.00 C ATOM 140 C ASP A 640 2.466 -15.490 -6.713 1.00 0.00 C ATOM 141 O ASP A 640 1.539 -15.309 -5.923 1.00 0.00 O ATOM 142 CB ASP A 640 2.903 -17.672 -5.568 1.00 0.00 C ATOM 143 CG ASP A 640 2.305 -18.819 -6.358 1.00 0.00 C ATOM 144 OD1 ASP A 640 3.069 -19.527 -7.047 1.00 0.00 O ATOM 145 OD2 ASP A 640 1.072 -19.010 -6.287 1.00 0.00 O ATOM 0 H ASP A 640 4.614 -15.770 -4.898 1.00 0.00 H new ATOM 0 HA ASP A 640 3.759 -17.032 -7.432 1.00 0.00 H new ATOM 0 HB2 ASP A 640 3.680 -18.056 -4.907 1.00 0.00 H new ATOM 0 HB3 ASP A 640 2.134 -17.231 -4.934 1.00 0.00 H new ATOM 150 N ASN A 641 2.635 -14.760 -7.810 1.00 0.00 N ATOM 151 CA ASN A 641 1.721 -13.679 -8.159 1.00 0.00 C ATOM 152 C ASN A 641 1.729 -12.590 -7.091 1.00 0.00 C ATOM 153 O ASN A 641 0.847 -12.542 -6.233 1.00 0.00 O ATOM 154 CB ASN A 641 0.302 -14.220 -8.340 1.00 0.00 C ATOM 155 CG ASN A 641 -0.493 -13.430 -9.361 1.00 0.00 C ATOM 156 OD1 ASN A 641 -1.352 -12.622 -9.007 1.00 0.00 O ATOM 157 ND2 ASN A 641 -0.210 -13.659 -10.638 1.00 0.00 N ATOM 0 H ASN A 641 3.397 -14.898 -8.473 1.00 0.00 H new ATOM 0 HA ASN A 641 2.059 -13.243 -9.099 1.00 0.00 H new ATOM 0 HB2 ASN A 641 0.351 -15.264 -8.651 1.00 0.00 H new ATOM 0 HB3 ASN A 641 -0.218 -14.197 -7.382 1.00 0.00 H new ATOM 0 HD21 ASN A 641 -0.712 -13.156 -11.370 1.00 0.00 H new ATOM 0 HD22 ASN A 641 0.510 -14.337 -10.887 1.00 0.00 H new ATOM 164 N ASP A 642 2.730 -11.718 -7.149 1.00 0.00 N ATOM 165 CA ASP A 642 2.853 -10.628 -6.188 1.00 0.00 C ATOM 166 C ASP A 642 1.725 -9.615 -6.366 1.00 0.00 C ATOM 167 O ASP A 642 1.342 -8.926 -5.421 1.00 0.00 O ATOM 168 CB ASP A 642 4.208 -9.935 -6.343 1.00 0.00 C ATOM 169 CG ASP A 642 4.504 -9.560 -7.782 1.00 0.00 C ATOM 170 OD1 ASP A 642 5.647 -9.788 -8.231 1.00 0.00 O ATOM 171 OD2 ASP A 642 3.593 -9.040 -8.460 1.00 0.00 O ATOM 0 H ASP A 642 3.468 -11.745 -7.852 1.00 0.00 H new ATOM 0 HA ASP A 642 2.782 -11.050 -5.186 1.00 0.00 H new ATOM 0 HB2 ASP A 642 4.227 -9.037 -5.725 1.00 0.00 H new ATOM 0 HB3 ASP A 642 4.994 -10.593 -5.973 1.00 0.00 H new ATOM 176 N ASN A 643 1.197 -9.532 -7.582 1.00 0.00 N ATOM 177 CA ASN A 643 0.113 -8.605 -7.889 1.00 0.00 C ATOM 178 C ASN A 643 -1.089 -8.826 -6.972 1.00 0.00 C ATOM 179 O ASN A 643 -1.914 -7.929 -6.795 1.00 0.00 O ATOM 180 CB ASN A 643 -0.313 -8.762 -9.348 1.00 0.00 C ATOM 181 CG ASN A 643 0.806 -8.429 -10.316 1.00 0.00 C ATOM 182 OD1 ASN A 643 1.832 -9.108 -10.353 1.00 0.00 O ATOM 183 ND2 ASN A 643 0.613 -7.378 -11.105 1.00 0.00 N ATOM 0 H ASN A 643 1.503 -10.097 -8.374 1.00 0.00 H new ATOM 0 HA ASN A 643 0.483 -7.593 -7.724 1.00 0.00 H new ATOM 0 HB2 ASN A 643 -0.645 -9.786 -9.519 1.00 0.00 H new ATOM 0 HB3 ASN A 643 -1.166 -8.113 -9.546 1.00 0.00 H new ATOM 0 HD21 ASN A 643 1.331 -7.105 -11.776 1.00 0.00 H new ATOM 0 HD22 ASN A 643 -0.253 -6.844 -11.040 1.00 0.00 H new ATOM 190 N TRP A 644 -1.189 -10.022 -6.394 1.00 0.00 N ATOM 191 CA TRP A 644 -2.298 -10.349 -5.501 1.00 0.00 C ATOM 192 C TRP A 644 -2.508 -9.253 -4.456 1.00 0.00 C ATOM 193 O TRP A 644 -3.622 -9.048 -3.974 1.00 0.00 O ATOM 194 CB TRP A 644 -2.052 -11.698 -4.814 1.00 0.00 C ATOM 195 CG TRP A 644 -1.080 -11.628 -3.674 1.00 0.00 C ATOM 196 CD1 TRP A 644 0.230 -11.253 -3.737 1.00 0.00 C ATOM 197 CD2 TRP A 644 -1.344 -11.940 -2.301 1.00 0.00 C ATOM 198 NE1 TRP A 644 0.798 -11.310 -2.487 1.00 0.00 N ATOM 199 CE2 TRP A 644 -0.148 -11.730 -1.589 1.00 0.00 C ATOM 200 CE3 TRP A 644 -2.475 -12.375 -1.605 1.00 0.00 C ATOM 201 CZ2 TRP A 644 -0.052 -11.940 -0.216 1.00 0.00 C ATOM 202 CZ3 TRP A 644 -2.378 -12.584 -0.242 1.00 0.00 C ATOM 203 CH2 TRP A 644 -1.175 -12.366 0.440 1.00 0.00 C ATOM 0 H TRP A 644 -0.518 -10.778 -6.528 1.00 0.00 H new ATOM 0 HA TRP A 644 -3.204 -10.420 -6.103 1.00 0.00 H new ATOM 0 HB2 TRP A 644 -3.002 -12.086 -4.446 1.00 0.00 H new ATOM 0 HB3 TRP A 644 -1.681 -12.409 -5.552 1.00 0.00 H new ATOM 0 HD1 TRP A 644 0.746 -10.955 -4.638 1.00 0.00 H new ATOM 0 HE1 TRP A 644 1.766 -11.078 -2.264 1.00 0.00 H new ATOM 0 HE3 TRP A 644 -3.408 -12.545 -2.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 644 0.875 -11.773 0.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 644 -3.245 -12.921 0.306 1.00 0.00 H new ATOM 0 HH2 TRP A 644 -1.132 -12.537 1.505 1.00 0.00 H new ATOM 214 N TRP A 645 -1.431 -8.554 -4.113 1.00 0.00 N ATOM 215 CA TRP A 645 -1.500 -7.482 -3.127 1.00 0.00 C ATOM 216 C TRP A 645 -0.543 -6.344 -3.480 1.00 0.00 C ATOM 217 O TRP A 645 -0.188 -5.534 -2.624 1.00 0.00 O ATOM 218 CB TRP A 645 -1.175 -8.024 -1.733 1.00 0.00 C ATOM 219 CG TRP A 645 -2.193 -7.653 -0.697 1.00 0.00 C ATOM 220 CD1 TRP A 645 -2.561 -8.392 0.390 1.00 0.00 C ATOM 221 CD2 TRP A 645 -2.975 -6.453 -0.651 1.00 0.00 C ATOM 222 NE1 TRP A 645 -3.523 -7.725 1.110 1.00 0.00 N ATOM 223 CE2 TRP A 645 -3.794 -6.533 0.491 1.00 0.00 C ATOM 224 CE3 TRP A 645 -3.062 -5.319 -1.464 1.00 0.00 C ATOM 225 CZ2 TRP A 645 -4.687 -5.523 0.840 1.00 0.00 C ATOM 226 CZ3 TRP A 645 -3.949 -4.317 -1.117 1.00 0.00 C ATOM 227 CH2 TRP A 645 -4.750 -4.424 0.026 1.00 0.00 C ATOM 0 H TRP A 645 -0.501 -8.710 -4.503 1.00 0.00 H new ATOM 0 HA TRP A 645 -2.516 -7.087 -3.131 1.00 0.00 H new ATOM 0 HB2 TRP A 645 -1.097 -9.110 -1.783 1.00 0.00 H new ATOM 0 HB3 TRP A 645 -0.200 -7.649 -1.424 1.00 0.00 H new ATOM 0 HD1 TRP A 645 -2.155 -9.359 0.647 1.00 0.00 H new ATOM 0 HE1 TRP A 645 -3.964 -8.062 1.966 1.00 0.00 H new ATOM 0 HE3 TRP A 645 -2.447 -5.227 -2.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 645 -5.307 -5.604 1.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 645 -4.025 -3.437 -1.738 1.00 0.00 H new ATOM 0 HH2 TRP A 645 -5.432 -3.623 0.271 1.00 0.00 H new ATOM 238 N THR A 646 -0.129 -6.284 -4.744 1.00 0.00 N ATOM 239 CA THR A 646 0.783 -5.240 -5.197 1.00 0.00 C ATOM 240 C THR A 646 0.668 -5.021 -6.706 1.00 0.00 C ATOM 241 O THR A 646 1.610 -4.555 -7.347 1.00 0.00 O ATOM 242 CB THR A 646 2.226 -5.594 -4.821 1.00 0.00 C ATOM 243 OG1 THR A 646 3.061 -4.454 -4.912 1.00 0.00 O ATOM 244 CG2 THR A 646 2.834 -6.676 -5.691 1.00 0.00 C ATOM 0 H THR A 646 -0.410 -6.944 -5.469 1.00 0.00 H new ATOM 0 HA THR A 646 0.505 -4.311 -4.699 1.00 0.00 H new ATOM 0 HB THR A 646 2.169 -5.967 -3.798 1.00 0.00 H new ATOM 0 HG1 THR A 646 2.967 -4.049 -5.800 1.00 0.00 H new ATOM 0 HG21 THR A 646 3.856 -6.873 -5.366 1.00 0.00 H new ATOM 0 HG22 THR A 646 2.243 -7.588 -5.604 1.00 0.00 H new ATOM 0 HG23 THR A 646 2.841 -6.346 -6.730 1.00 0.00 H new ATOM 252 N GLY A 647 -0.490 -5.359 -7.265 1.00 0.00 N ATOM 253 CA GLY A 647 -0.702 -5.189 -8.691 1.00 0.00 C ATOM 254 C GLY A 647 -2.138 -4.833 -9.025 1.00 0.00 C ATOM 255 O GLY A 647 -2.593 -3.726 -8.738 1.00 0.00 O ATOM 0 H GLY A 647 -1.284 -5.747 -6.757 1.00 0.00 H new ATOM 0 HA2 GLY A 647 -0.041 -4.406 -9.063 1.00 0.00 H new ATOM 0 HA3 GLY A 647 -0.429 -6.109 -9.208 1.00 0.00 H new ATOM 259 N TRP A 648 -2.853 -5.773 -9.632 1.00 0.00 N ATOM 260 CA TRP A 648 -4.246 -5.555 -10.004 1.00 0.00 C ATOM 261 C TRP A 648 -5.099 -5.232 -8.779 1.00 0.00 C ATOM 262 O TRP A 648 -6.168 -4.636 -8.899 1.00 0.00 O ATOM 263 CB TRP A 648 -4.806 -6.786 -10.720 1.00 0.00 C ATOM 264 CG TRP A 648 -4.496 -8.075 -10.023 1.00 0.00 C ATOM 265 CD1 TRP A 648 -3.416 -8.883 -10.234 1.00 0.00 C ATOM 266 CD2 TRP A 648 -5.278 -8.708 -9.004 1.00 0.00 C ATOM 267 NE1 TRP A 648 -3.477 -9.979 -9.408 1.00 0.00 N ATOM 268 CE2 TRP A 648 -4.611 -9.894 -8.643 1.00 0.00 C ATOM 269 CE3 TRP A 648 -6.476 -8.386 -8.360 1.00 0.00 C ATOM 270 CZ2 TRP A 648 -5.103 -10.758 -7.668 1.00 0.00 C ATOM 271 CZ3 TRP A 648 -6.964 -9.244 -7.392 1.00 0.00 C ATOM 272 CH2 TRP A 648 -6.278 -10.418 -7.054 1.00 0.00 C ATOM 0 H TRP A 648 -2.491 -6.694 -9.877 1.00 0.00 H new ATOM 0 HA TRP A 648 -4.281 -4.702 -10.681 1.00 0.00 H new ATOM 0 HB2 TRP A 648 -5.887 -6.683 -10.812 1.00 0.00 H new ATOM 0 HB3 TRP A 648 -4.402 -6.823 -11.732 1.00 0.00 H new ATOM 0 HD1 TRP A 648 -2.628 -8.689 -10.947 1.00 0.00 H new ATOM 0 HE1 TRP A 648 -2.791 -10.733 -9.370 1.00 0.00 H new ATOM 0 HE3 TRP A 648 -7.011 -7.483 -8.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 648 -4.576 -11.664 -7.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 648 -7.889 -9.005 -6.888 1.00 0.00 H new ATOM 0 HH2 TRP A 648 -6.685 -11.068 -6.293 1.00 0.00 H new ATOM 283 N ARG A 649 -4.613 -5.618 -7.602 1.00 0.00 N ATOM 284 CA ARG A 649 -5.318 -5.360 -6.357 1.00 0.00 C ATOM 285 C ARG A 649 -4.957 -3.982 -5.825 1.00 0.00 C ATOM 286 O ARG A 649 -5.655 -3.426 -4.977 1.00 0.00 O ATOM 287 CB ARG A 649 -4.973 -6.429 -5.319 1.00 0.00 C ATOM 288 CG ARG A 649 -6.104 -6.718 -4.345 1.00 0.00 C ATOM 289 CD ARG A 649 -5.589 -7.361 -3.068 1.00 0.00 C ATOM 290 NE ARG A 649 -6.294 -6.872 -1.885 1.00 0.00 N ATOM 291 CZ ARG A 649 -7.570 -7.144 -1.618 1.00 0.00 C ATOM 292 NH1 ARG A 649 -8.282 -7.899 -2.446 1.00 0.00 N ATOM 293 NH2 ARG A 649 -8.134 -6.660 -0.520 1.00 0.00 N ATOM 0 H ARG A 649 -3.729 -6.113 -7.488 1.00 0.00 H new ATOM 0 HA ARG A 649 -6.390 -5.394 -6.552 1.00 0.00 H new ATOM 0 HB2 ARG A 649 -4.704 -7.351 -5.835 1.00 0.00 H new ATOM 0 HB3 ARG A 649 -4.095 -6.109 -4.758 1.00 0.00 H new ATOM 0 HG2 ARG A 649 -6.623 -5.791 -4.103 1.00 0.00 H new ATOM 0 HG3 ARG A 649 -6.833 -7.377 -4.817 1.00 0.00 H new ATOM 0 HD2 ARG A 649 -5.702 -8.443 -3.136 1.00 0.00 H new ATOM 0 HD3 ARG A 649 -4.523 -7.158 -2.964 1.00 0.00 H new ATOM 0 HE ARG A 649 -5.779 -6.289 -1.226 1.00 0.00 H new ATOM 0 HH11 ARG A 649 -7.852 -8.274 -3.292 1.00 0.00 H new ATOM 0 HH12 ARG A 649 -9.259 -8.104 -2.237 1.00 0.00 H new ATOM 0 HH21 ARG A 649 -7.591 -6.080 0.119 1.00 0.00 H new ATOM 0 HH22 ARG A 649 -9.111 -6.868 -0.315 1.00 0.00 H new ATOM 307 N GLN A 650 -3.850 -3.441 -6.325 1.00 0.00 N ATOM 308 CA GLN A 650 -3.378 -2.137 -5.900 1.00 0.00 C ATOM 309 C GLN A 650 -4.181 -1.006 -6.541 1.00 0.00 C ATOM 310 O GLN A 650 -3.956 0.166 -6.242 1.00 0.00 O ATOM 311 CB GLN A 650 -1.899 -1.976 -6.242 1.00 0.00 C ATOM 312 CG GLN A 650 -0.971 -2.212 -5.062 1.00 0.00 C ATOM 313 CD GLN A 650 -1.030 -1.092 -4.042 1.00 0.00 C ATOM 314 OE1 GLN A 650 -1.937 -0.260 -4.068 1.00 0.00 O ATOM 315 NE2 GLN A 650 -0.060 -1.065 -3.136 1.00 0.00 N ATOM 0 H GLN A 650 -3.264 -3.892 -7.028 1.00 0.00 H new ATOM 0 HA GLN A 650 -3.514 -2.075 -4.820 1.00 0.00 H new ATOM 0 HB2 GLN A 650 -1.642 -2.672 -7.040 1.00 0.00 H new ATOM 0 HB3 GLN A 650 -1.732 -0.971 -6.629 1.00 0.00 H new ATOM 0 HG2 GLN A 650 -1.235 -3.153 -4.579 1.00 0.00 H new ATOM 0 HG3 GLN A 650 0.052 -2.316 -5.424 1.00 0.00 H new ATOM 0 HE21 GLN A 650 0.672 -1.775 -3.152 1.00 0.00 H new ATOM 0 HE22 GLN A 650 -0.047 -0.334 -2.424 1.00 0.00 H new ATOM 324 N TRP A 651 -5.109 -1.357 -7.426 1.00 0.00 N ATOM 325 CA TRP A 651 -5.929 -0.360 -8.102 1.00 0.00 C ATOM 326 C TRP A 651 -7.078 -1.019 -8.855 1.00 0.00 C ATOM 327 O TRP A 651 -7.303 -0.740 -10.033 1.00 0.00 O ATOM 328 CB TRP A 651 -5.072 0.460 -9.069 1.00 0.00 C ATOM 329 CG TRP A 651 -4.231 -0.383 -9.978 1.00 0.00 C ATOM 330 CD1 TRP A 651 -3.174 -1.170 -9.622 1.00 0.00 C ATOM 331 CD2 TRP A 651 -4.377 -0.524 -11.396 1.00 0.00 C ATOM 332 NE1 TRP A 651 -2.653 -1.791 -10.731 1.00 0.00 N ATOM 333 CE2 TRP A 651 -3.374 -1.410 -11.833 1.00 0.00 C ATOM 334 CE3 TRP A 651 -5.258 0.013 -12.340 1.00 0.00 C ATOM 335 CZ2 TRP A 651 -3.229 -1.771 -13.170 1.00 0.00 C ATOM 336 CZ3 TRP A 651 -5.112 -0.346 -13.667 1.00 0.00 C ATOM 337 CH2 TRP A 651 -4.105 -1.231 -14.071 1.00 0.00 C ATOM 0 H TRP A 651 -5.311 -2.321 -7.690 1.00 0.00 H new ATOM 0 HA TRP A 651 -6.350 0.303 -7.346 1.00 0.00 H new ATOM 0 HB2 TRP A 651 -5.722 1.094 -9.672 1.00 0.00 H new ATOM 0 HB3 TRP A 651 -4.423 1.122 -8.496 1.00 0.00 H new ATOM 0 HD1 TRP A 651 -2.802 -1.287 -8.615 1.00 0.00 H new ATOM 0 HE1 TRP A 651 -1.859 -2.431 -10.734 1.00 0.00 H new ATOM 0 HE3 TRP A 651 -6.038 0.696 -12.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 651 -2.453 -2.453 -13.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 651 -5.786 0.063 -14.405 1.00 0.00 H new ATOM 0 HH2 TRP A 651 -4.018 -1.493 -15.115 1.00 0.00 H new ATOM 348 N ILE A 652 -7.806 -1.896 -8.171 1.00 0.00 N ATOM 349 CA ILE A 652 -8.933 -2.586 -8.794 1.00 0.00 C ATOM 350 C ILE A 652 -10.011 -1.594 -9.232 1.00 0.00 C ATOM 351 O ILE A 652 -10.381 -1.553 -10.405 1.00 0.00 O ATOM 352 CB ILE A 652 -9.568 -3.644 -7.863 1.00 0.00 C ATOM 353 CG1 ILE A 652 -8.489 -4.454 -7.143 1.00 0.00 C ATOM 354 CG2 ILE A 652 -10.481 -4.564 -8.660 1.00 0.00 C ATOM 355 CD1 ILE A 652 -8.707 -4.556 -5.649 1.00 0.00 C ATOM 0 H ILE A 652 -7.640 -2.145 -7.196 1.00 0.00 H new ATOM 0 HA ILE A 652 -8.528 -3.099 -9.666 1.00 0.00 H new ATOM 0 HB ILE A 652 -10.162 -3.127 -7.109 1.00 0.00 H new ATOM 0 HG12 ILE A 652 -8.456 -5.458 -7.567 1.00 0.00 H new ATOM 0 HG13 ILE A 652 -7.517 -3.997 -7.330 1.00 0.00 H new ATOM 0 HG21 ILE A 652 -10.922 -5.305 -7.994 1.00 0.00 H new ATOM 0 HG22 ILE A 652 -11.273 -3.977 -9.125 1.00 0.00 H new ATOM 0 HG23 ILE A 652 -9.903 -5.070 -9.433 1.00 0.00 H new ATOM 0 HD11 ILE A 652 -7.904 -5.144 -5.204 1.00 0.00 H new ATOM 0 HD12 ILE A 652 -8.710 -3.557 -5.213 1.00 0.00 H new ATOM 0 HD13 ILE A 652 -9.664 -5.041 -5.453 1.00 0.00 H new ATOM 367 N PRO A 653 -10.533 -0.775 -8.297 1.00 0.00 N ATOM 368 CA PRO A 653 -11.570 0.213 -8.614 1.00 0.00 C ATOM 369 C PRO A 653 -11.059 1.322 -9.533 1.00 0.00 C ATOM 370 O PRO A 653 -11.377 1.350 -10.722 1.00 0.00 O ATOM 371 CB PRO A 653 -11.961 0.783 -7.246 1.00 0.00 C ATOM 372 CG PRO A 653 -10.795 0.509 -6.358 1.00 0.00 C ATOM 373 CD PRO A 653 -10.158 -0.749 -6.870 1.00 0.00 C ATOM 0 HA PRO A 653 -12.404 -0.237 -9.152 1.00 0.00 H new ATOM 0 HB2 PRO A 653 -12.165 1.852 -7.309 1.00 0.00 H new ATOM 0 HB3 PRO A 653 -12.865 0.308 -6.866 1.00 0.00 H new ATOM 0 HG2 PRO A 653 -10.088 1.338 -6.379 1.00 0.00 H new ATOM 0 HG3 PRO A 653 -11.115 0.389 -5.323 1.00 0.00 H new ATOM 0 HD2 PRO A 653 -9.076 -0.731 -6.741 1.00 0.00 H new ATOM 0 HD3 PRO A 653 -10.528 -1.628 -6.343 1.00 0.00 H new ATOM 381 N ALA A 654 -10.267 2.233 -8.974 1.00 0.00 N ATOM 382 CA ALA A 654 -9.710 3.345 -9.733 1.00 0.00 C ATOM 383 C ALA A 654 -8.893 4.244 -8.828 1.00 0.00 C ATOM 384 O ALA A 654 -9.274 5.378 -8.535 1.00 0.00 O ATOM 385 CB ALA A 654 -10.807 4.137 -10.416 1.00 0.00 C ATOM 0 H ALA A 654 -9.996 2.221 -7.991 1.00 0.00 H new ATOM 0 HA ALA A 654 -9.056 2.938 -10.504 1.00 0.00 H new ATOM 0 HB1 ALA A 654 -10.366 4.961 -10.976 1.00 0.00 H new ATOM 0 HB2 ALA A 654 -11.354 3.487 -11.098 1.00 0.00 H new ATOM 0 HB3 ALA A 654 -11.491 4.533 -9.665 1.00 0.00 H new ATOM 391 N GLY A 655 -7.764 3.720 -8.392 1.00 0.00 N ATOM 392 CA GLY A 655 -6.884 4.465 -7.523 1.00 0.00 C ATOM 393 C GLY A 655 -6.961 4.017 -6.078 1.00 0.00 C ATOM 394 O GLY A 655 -6.832 4.830 -5.165 1.00 0.00 O ATOM 0 H GLY A 655 -7.438 2.782 -8.627 1.00 0.00 H new ATOM 0 HA2 GLY A 655 -5.858 4.359 -7.876 1.00 0.00 H new ATOM 0 HA3 GLY A 655 -7.134 5.524 -7.583 1.00 0.00 H new ATOM 398 N ILE A 656 -7.153 2.718 -5.866 1.00 0.00 N ATOM 399 CA ILE A 656 -7.221 2.174 -4.515 1.00 0.00 C ATOM 400 C ILE A 656 -5.829 2.145 -3.884 1.00 0.00 C ATOM 401 O ILE A 656 -5.683 2.000 -2.672 1.00 0.00 O ATOM 402 CB ILE A 656 -7.817 0.753 -4.505 1.00 0.00 C ATOM 403 CG1 ILE A 656 -8.321 0.397 -3.109 1.00 0.00 C ATOM 404 CG2 ILE A 656 -6.783 -0.259 -4.965 1.00 0.00 C ATOM 405 CD1 ILE A 656 -9.830 0.352 -3.002 1.00 0.00 C ATOM 0 H ILE A 656 -7.264 2.027 -6.608 1.00 0.00 H new ATOM 0 HA ILE A 656 -7.874 2.825 -3.934 1.00 0.00 H new ATOM 0 HB ILE A 656 -8.659 0.728 -5.196 1.00 0.00 H new ATOM 0 HG12 ILE A 656 -7.916 -0.573 -2.822 1.00 0.00 H new ATOM 0 HG13 ILE A 656 -7.936 1.126 -2.396 1.00 0.00 H new ATOM 0 HG21 ILE A 656 -7.220 -1.257 -4.952 1.00 0.00 H new ATOM 0 HG22 ILE A 656 -6.462 -0.016 -5.978 1.00 0.00 H new ATOM 0 HG23 ILE A 656 -5.923 -0.231 -4.296 1.00 0.00 H new ATOM 0 HD11 ILE A 656 -10.115 0.093 -1.982 1.00 0.00 H new ATOM 0 HD12 ILE A 656 -10.242 1.328 -3.257 1.00 0.00 H new ATOM 0 HD13 ILE A 656 -10.221 -0.398 -3.690 1.00 0.00 H new ATOM 417 N GLY A 657 -4.811 2.295 -4.722 1.00 0.00 N ATOM 418 CA GLY A 657 -3.444 2.308 -4.247 1.00 0.00 C ATOM 419 C GLY A 657 -2.863 3.701 -4.333 1.00 0.00 C ATOM 420 O GLY A 657 -2.069 4.113 -3.487 1.00 0.00 O ATOM 0 H GLY A 657 -4.911 2.409 -5.731 1.00 0.00 H new ATOM 0 HA2 GLY A 657 -3.408 1.957 -3.216 1.00 0.00 H new ATOM 0 HA3 GLY A 657 -2.841 1.620 -4.839 1.00 0.00 H new ATOM 424 N VAL A 658 -3.286 4.433 -5.359 1.00 0.00 N ATOM 425 CA VAL A 658 -2.841 5.800 -5.571 1.00 0.00 C ATOM 426 C VAL A 658 -3.647 6.760 -4.702 1.00 0.00 C ATOM 427 O VAL A 658 -3.141 7.789 -4.253 1.00 0.00 O ATOM 428 CB VAL A 658 -2.977 6.205 -7.055 1.00 0.00 C ATOM 429 CG1 VAL A 658 -4.439 6.211 -7.489 1.00 0.00 C ATOM 430 CG2 VAL A 658 -2.333 7.560 -7.301 1.00 0.00 C ATOM 0 H VAL A 658 -3.943 4.095 -6.062 1.00 0.00 H new ATOM 0 HA VAL A 658 -1.789 5.856 -5.291 1.00 0.00 H new ATOM 0 HB VAL A 658 -2.453 5.463 -7.658 1.00 0.00 H new ATOM 0 HG11 VAL A 658 -4.506 6.500 -8.538 1.00 0.00 H new ATOM 0 HG12 VAL A 658 -4.861 5.215 -7.359 1.00 0.00 H new ATOM 0 HG13 VAL A 658 -4.996 6.923 -6.880 1.00 0.00 H new ATOM 0 HG21 VAL A 658 -2.439 7.828 -8.352 1.00 0.00 H new ATOM 0 HG22 VAL A 658 -2.823 8.313 -6.683 1.00 0.00 H new ATOM 0 HG23 VAL A 658 -1.275 7.512 -7.044 1.00 0.00 H new ATOM 440 N THR A 659 -4.906 6.403 -4.465 1.00 0.00 N ATOM 441 CA THR A 659 -5.799 7.210 -3.643 1.00 0.00 C ATOM 442 C THR A 659 -6.376 6.382 -2.494 1.00 0.00 C ATOM 443 O THR A 659 -6.823 6.928 -1.488 1.00 0.00 O ATOM 444 CB THR A 659 -6.934 7.786 -4.495 1.00 0.00 C ATOM 445 OG1 THR A 659 -6.421 8.653 -5.491 1.00 0.00 O ATOM 446 CG2 THR A 659 -7.955 8.563 -3.691 1.00 0.00 C ATOM 0 H THR A 659 -5.332 5.553 -4.834 1.00 0.00 H new ATOM 0 HA THR A 659 -5.221 8.032 -3.221 1.00 0.00 H new ATOM 0 HB THR A 659 -7.429 6.922 -4.938 1.00 0.00 H new ATOM 0 HG1 THR A 659 -7.160 9.010 -6.026 1.00 0.00 H new ATOM 0 HG21 THR A 659 -8.730 8.943 -4.357 1.00 0.00 H new ATOM 0 HG22 THR A 659 -8.406 7.908 -2.945 1.00 0.00 H new ATOM 0 HG23 THR A 659 -7.465 9.399 -3.191 1.00 0.00 H new ATOM 454 N GLY A 660 -6.365 5.061 -2.649 1.00 0.00 N ATOM 455 CA GLY A 660 -6.885 4.191 -1.615 1.00 0.00 C ATOM 456 C GLY A 660 -5.872 3.939 -0.512 1.00 0.00 C ATOM 457 O GLY A 660 -6.160 4.144 0.667 1.00 0.00 O ATOM 0 H GLY A 660 -6.005 4.580 -3.473 1.00 0.00 H new ATOM 0 HA2 GLY A 660 -7.783 4.636 -1.186 1.00 0.00 H new ATOM 0 HA3 GLY A 660 -7.181 3.240 -2.058 1.00 0.00 H new ATOM 461 N VAL A 661 -4.680 3.498 -0.904 1.00 0.00 N ATOM 462 CA VAL A 661 -3.606 3.219 0.043 1.00 0.00 C ATOM 463 C VAL A 661 -2.863 4.495 0.410 1.00 0.00 C ATOM 464 O VAL A 661 -2.823 4.898 1.572 1.00 0.00 O ATOM 465 CB VAL A 661 -2.603 2.195 -0.525 1.00 0.00 C ATOM 466 CG1 VAL A 661 -1.519 1.877 0.496 1.00 0.00 C ATOM 467 CG2 VAL A 661 -3.323 0.926 -0.958 1.00 0.00 C ATOM 0 H VAL A 661 -4.433 3.325 -1.878 1.00 0.00 H new ATOM 0 HA VAL A 661 -4.069 2.798 0.936 1.00 0.00 H new ATOM 0 HB VAL A 661 -2.125 2.634 -1.401 1.00 0.00 H new ATOM 0 HG11 VAL A 661 -0.823 1.153 0.074 1.00 0.00 H new ATOM 0 HG12 VAL A 661 -0.982 2.790 0.752 1.00 0.00 H new ATOM 0 HG13 VAL A 661 -1.976 1.460 1.394 1.00 0.00 H new ATOM 0 HG21 VAL A 661 -2.599 0.215 -1.356 1.00 0.00 H new ATOM 0 HG22 VAL A 661 -3.831 0.485 -0.100 1.00 0.00 H new ATOM 0 HG23 VAL A 661 -4.055 1.168 -1.728 1.00 0.00 H new ATOM 477 N VAL A 662 -2.271 5.119 -0.604 1.00 0.00 N ATOM 478 CA VAL A 662 -1.515 6.353 -0.433 1.00 0.00 C ATOM 479 C VAL A 662 -2.222 7.316 0.514 1.00 0.00 C ATOM 480 O VAL A 662 -1.582 8.066 1.248 1.00 0.00 O ATOM 481 CB VAL A 662 -1.295 7.044 -1.794 1.00 0.00 C ATOM 482 CG1 VAL A 662 -0.816 8.481 -1.612 1.00 0.00 C ATOM 483 CG2 VAL A 662 -0.308 6.252 -2.637 1.00 0.00 C ATOM 0 H VAL A 662 -2.302 4.783 -1.566 1.00 0.00 H new ATOM 0 HA VAL A 662 -0.552 6.086 0.001 1.00 0.00 H new ATOM 0 HB VAL A 662 -2.252 7.076 -2.316 1.00 0.00 H new ATOM 0 HG11 VAL A 662 -0.670 8.942 -2.589 1.00 0.00 H new ATOM 0 HG12 VAL A 662 -1.562 9.045 -1.052 1.00 0.00 H new ATOM 0 HG13 VAL A 662 0.127 8.484 -1.065 1.00 0.00 H new ATOM 0 HG21 VAL A 662 -0.163 6.753 -3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 662 0.646 6.186 -2.114 1.00 0.00 H new ATOM 0 HG23 VAL A 662 -0.698 5.249 -2.808 1.00 0.00 H new ATOM 493 N ILE A 663 -3.541 7.294 0.482 1.00 0.00 N ATOM 494 CA ILE A 663 -4.338 8.168 1.323 1.00 0.00 C ATOM 495 C ILE A 663 -4.346 7.687 2.772 1.00 0.00 C ATOM 496 O ILE A 663 -4.308 8.491 3.703 1.00 0.00 O ATOM 497 CB ILE A 663 -5.774 8.269 0.776 1.00 0.00 C ATOM 498 CG1 ILE A 663 -6.358 9.654 1.056 1.00 0.00 C ATOM 499 CG2 ILE A 663 -6.672 7.179 1.350 1.00 0.00 C ATOM 500 CD1 ILE A 663 -7.225 10.182 -0.066 1.00 0.00 C ATOM 0 H ILE A 663 -4.086 6.677 -0.121 1.00 0.00 H new ATOM 0 HA ILE A 663 -3.886 9.160 1.306 1.00 0.00 H new ATOM 0 HB ILE A 663 -5.729 8.121 -0.303 1.00 0.00 H new ATOM 0 HG12 ILE A 663 -6.948 9.612 1.972 1.00 0.00 H new ATOM 0 HG13 ILE A 663 -5.542 10.354 1.234 1.00 0.00 H new ATOM 0 HG21 ILE A 663 -7.677 7.283 0.941 1.00 0.00 H new ATOM 0 HG22 ILE A 663 -6.271 6.201 1.085 1.00 0.00 H new ATOM 0 HG23 ILE A 663 -6.710 7.273 2.435 1.00 0.00 H new ATOM 0 HD11 ILE A 663 -7.605 11.168 0.201 1.00 0.00 H new ATOM 0 HD12 ILE A 663 -6.634 10.256 -0.979 1.00 0.00 H new ATOM 0 HD13 ILE A 663 -8.062 9.503 -0.230 1.00 0.00 H new ATOM 512 N ALA A 664 -4.387 6.372 2.951 1.00 0.00 N ATOM 513 CA ALA A 664 -4.390 5.781 4.282 1.00 0.00 C ATOM 514 C ALA A 664 -2.976 5.700 4.853 1.00 0.00 C ATOM 515 O ALA A 664 -2.790 5.673 6.069 1.00 0.00 O ATOM 516 CB ALA A 664 -5.027 4.400 4.243 1.00 0.00 C ATOM 0 H ALA A 664 -4.419 5.694 2.189 1.00 0.00 H new ATOM 0 HA ALA A 664 -4.979 6.423 4.937 1.00 0.00 H new ATOM 0 HB1 ALA A 664 -5.023 3.969 5.244 1.00 0.00 H new ATOM 0 HB2 ALA A 664 -6.054 4.483 3.888 1.00 0.00 H new ATOM 0 HB3 ALA A 664 -4.461 3.757 3.569 1.00 0.00 H new ATOM 522 N VAL A 665 -1.982 5.666 3.968 1.00 0.00 N ATOM 523 CA VAL A 665 -0.588 5.595 4.390 1.00 0.00 C ATOM 524 C VAL A 665 -0.054 6.987 4.697 1.00 0.00 C ATOM 525 O VAL A 665 0.637 7.202 5.692 1.00 0.00 O ATOM 526 CB VAL A 665 0.299 4.920 3.317 1.00 0.00 C ATOM 527 CG1 VAL A 665 -0.370 3.661 2.786 1.00 0.00 C ATOM 528 CG2 VAL A 665 0.608 5.881 2.177 1.00 0.00 C ATOM 0 H VAL A 665 -2.117 5.686 2.957 1.00 0.00 H new ATOM 0 HA VAL A 665 -0.551 4.986 5.293 1.00 0.00 H new ATOM 0 HB VAL A 665 1.242 4.641 3.787 1.00 0.00 H new ATOM 0 HG11 VAL A 665 0.268 3.200 2.032 1.00 0.00 H new ATOM 0 HG12 VAL A 665 -0.529 2.960 3.605 1.00 0.00 H new ATOM 0 HG13 VAL A 665 -1.330 3.920 2.339 1.00 0.00 H new ATOM 0 HG21 VAL A 665 1.233 5.380 1.438 1.00 0.00 H new ATOM 0 HG22 VAL A 665 -0.323 6.201 1.708 1.00 0.00 H new ATOM 0 HG23 VAL A 665 1.135 6.751 2.568 1.00 0.00 H new ATOM 538 N ILE A 666 -0.396 7.927 3.826 1.00 0.00 N ATOM 539 CA ILE A 666 0.021 9.307 3.975 1.00 0.00 C ATOM 540 C ILE A 666 -0.661 9.939 5.176 1.00 0.00 C ATOM 541 O ILE A 666 -0.075 10.762 5.872 1.00 0.00 O ATOM 542 CB ILE A 666 -0.333 10.110 2.712 1.00 0.00 C ATOM 543 CG1 ILE A 666 0.561 9.687 1.543 1.00 0.00 C ATOM 544 CG2 ILE A 666 -0.214 11.606 2.964 1.00 0.00 C ATOM 545 CD1 ILE A 666 2.005 10.114 1.697 1.00 0.00 C ATOM 0 H ILE A 666 -0.968 7.751 3.000 1.00 0.00 H new ATOM 0 HA ILE A 666 1.101 9.323 4.124 1.00 0.00 H new ATOM 0 HB ILE A 666 -1.370 9.895 2.452 1.00 0.00 H new ATOM 0 HG12 ILE A 666 0.521 8.603 1.440 1.00 0.00 H new ATOM 0 HG13 ILE A 666 0.163 10.110 0.621 1.00 0.00 H new ATOM 0 HG21 ILE A 666 -0.470 12.150 2.055 1.00 0.00 H new ATOM 0 HG22 ILE A 666 -0.896 11.896 3.764 1.00 0.00 H new ATOM 0 HG23 ILE A 666 0.809 11.846 3.254 1.00 0.00 H new ATOM 0 HD11 ILE A 666 2.578 9.780 0.832 1.00 0.00 H new ATOM 0 HD12 ILE A 666 2.057 11.200 1.769 1.00 0.00 H new ATOM 0 HD13 ILE A 666 2.421 9.670 2.601 1.00 0.00 H new ATOM 557 N ALA A 667 -1.907 9.543 5.408 1.00 0.00 N ATOM 558 CA ALA A 667 -2.687 10.063 6.523 1.00 0.00 C ATOM 559 C ALA A 667 -1.829 10.204 7.776 1.00 0.00 C ATOM 560 O ALA A 667 -2.010 11.131 8.564 1.00 0.00 O ATOM 561 CB ALA A 667 -3.876 9.156 6.782 1.00 0.00 C ATOM 0 H ALA A 667 -2.401 8.859 4.834 1.00 0.00 H new ATOM 0 HA ALA A 667 -3.050 11.057 6.262 1.00 0.00 H new ATOM 0 HB1 ALA A 667 -4.457 9.548 7.617 1.00 0.00 H new ATOM 0 HB2 ALA A 667 -4.503 9.114 5.891 1.00 0.00 H new ATOM 0 HB3 ALA A 667 -3.523 8.154 7.025 1.00 0.00 H new ATOM 567 N LEU A 668 -0.885 9.282 7.944 1.00 0.00 N ATOM 568 CA LEU A 668 0.012 9.303 9.082 1.00 0.00 C ATOM 569 C LEU A 668 1.204 10.218 8.816 1.00 0.00 C ATOM 570 O LEU A 668 1.393 11.224 9.499 1.00 0.00 O ATOM 571 CB LEU A 668 0.502 7.887 9.373 1.00 0.00 C ATOM 572 CG LEU A 668 1.595 7.782 10.434 1.00 0.00 C ATOM 573 CD1 LEU A 668 1.324 8.753 11.574 1.00 0.00 C ATOM 574 CD2 LEU A 668 1.685 6.356 10.948 1.00 0.00 C ATOM 0 H LEU A 668 -0.726 8.509 7.298 1.00 0.00 H new ATOM 0 HA LEU A 668 -0.531 9.688 9.946 1.00 0.00 H new ATOM 0 HB2 LEU A 668 -0.349 7.283 9.690 1.00 0.00 H new ATOM 0 HB3 LEU A 668 0.875 7.451 8.446 1.00 0.00 H new ATOM 0 HG LEU A 668 2.551 8.048 9.984 1.00 0.00 H new ATOM 0 HD11 LEU A 668 2.112 8.665 12.322 1.00 0.00 H new ATOM 0 HD12 LEU A 668 1.303 9.772 11.187 1.00 0.00 H new ATOM 0 HD13 LEU A 668 0.363 8.518 12.031 1.00 0.00 H new ATOM 0 HD21 LEU A 668 2.467 6.291 11.704 1.00 0.00 H new ATOM 0 HD22 LEU A 668 0.730 6.067 11.387 1.00 0.00 H new ATOM 0 HD23 LEU A 668 1.922 5.686 10.122 1.00 0.00 H new ATOM 586 N PHE A 669 2.002 9.860 7.812 1.00 0.00 N ATOM 587 CA PHE A 669 3.176 10.647 7.446 1.00 0.00 C ATOM 588 C PHE A 669 2.800 12.111 7.247 1.00 0.00 C ATOM 589 O PHE A 669 3.624 13.007 7.425 1.00 0.00 O ATOM 590 CB PHE A 669 3.809 10.086 6.170 1.00 0.00 C ATOM 591 CG PHE A 669 5.200 9.556 6.373 1.00 0.00 C ATOM 592 CD1 PHE A 669 5.563 8.317 5.869 1.00 0.00 C ATOM 593 CD2 PHE A 669 6.143 10.296 7.068 1.00 0.00 C ATOM 594 CE1 PHE A 669 6.841 7.827 6.053 1.00 0.00 C ATOM 595 CE2 PHE A 669 7.423 9.810 7.256 1.00 0.00 C ATOM 596 CZ PHE A 669 7.773 8.574 6.748 1.00 0.00 C ATOM 0 H PHE A 669 1.856 9.030 7.238 1.00 0.00 H new ATOM 0 HA PHE A 669 3.901 10.585 8.258 1.00 0.00 H new ATOM 0 HB2 PHE A 669 3.177 9.287 5.782 1.00 0.00 H new ATOM 0 HB3 PHE A 669 3.834 10.869 5.412 1.00 0.00 H new ATOM 0 HD1 PHE A 669 4.838 7.728 5.326 1.00 0.00 H new ATOM 0 HD2 PHE A 669 5.875 11.263 7.467 1.00 0.00 H new ATOM 0 HE1 PHE A 669 7.112 6.861 5.654 1.00 0.00 H new ATOM 0 HE2 PHE A 669 8.149 10.396 7.800 1.00 0.00 H new ATOM 0 HZ PHE A 669 8.773 8.192 6.894 1.00 0.00 H new ATOM 606 N ALA A 670 1.545 12.339 6.882 1.00 0.00 N ATOM 607 CA ALA A 670 1.041 13.682 6.661 1.00 0.00 C ATOM 608 C ALA A 670 0.975 14.466 7.970 1.00 0.00 C ATOM 609 O ALA A 670 0.972 15.696 7.962 1.00 0.00 O ATOM 610 CB ALA A 670 -0.330 13.623 5.998 1.00 0.00 C ATOM 0 H ALA A 670 0.855 11.603 6.733 1.00 0.00 H new ATOM 0 HA ALA A 670 1.730 14.203 5.997 1.00 0.00 H new ATOM 0 HB1 ALA A 670 -0.700 14.636 5.836 1.00 0.00 H new ATOM 0 HB2 ALA A 670 -0.249 13.109 5.040 1.00 0.00 H new ATOM 0 HB3 ALA A 670 -1.023 13.082 6.643 1.00 0.00 H new ATOM 616 N ILE A 671 0.925 13.751 9.095 1.00 0.00 N ATOM 617 CA ILE A 671 0.864 14.394 10.401 1.00 0.00 C ATOM 618 C ILE A 671 2.251 14.743 10.904 1.00 0.00 C ATOM 619 O ILE A 671 2.458 15.784 11.524 1.00 0.00 O ATOM 620 CB ILE A 671 0.177 13.496 11.441 1.00 0.00 C ATOM 621 CG1 ILE A 671 -1.115 12.908 10.874 1.00 0.00 C ATOM 622 CG2 ILE A 671 -0.100 14.282 12.710 1.00 0.00 C ATOM 623 CD1 ILE A 671 -2.098 13.954 10.396 1.00 0.00 C ATOM 0 H ILE A 671 0.926 12.731 9.125 1.00 0.00 H new ATOM 0 HA ILE A 671 0.280 15.306 10.272 1.00 0.00 H new ATOM 0 HB ILE A 671 0.845 12.670 11.685 1.00 0.00 H new ATOM 0 HG12 ILE A 671 -0.869 12.246 10.044 1.00 0.00 H new ATOM 0 HG13 ILE A 671 -1.592 12.296 11.639 1.00 0.00 H new ATOM 0 HG21 ILE A 671 -0.587 13.635 13.440 1.00 0.00 H new ATOM 0 HG22 ILE A 671 0.839 14.651 13.122 1.00 0.00 H new ATOM 0 HG23 ILE A 671 -0.752 15.125 12.481 1.00 0.00 H new ATOM 0 HD11 ILE A 671 -2.990 13.464 10.007 1.00 0.00 H new ATOM 0 HD12 ILE A 671 -2.373 14.602 11.228 1.00 0.00 H new ATOM 0 HD13 ILE A 671 -1.639 14.551 9.608 1.00 0.00 H new ATOM 635 N ALA A 672 3.195 13.865 10.629 1.00 0.00 N ATOM 636 CA ALA A 672 4.569 14.068 11.044 1.00 0.00 C ATOM 637 C ALA A 672 5.140 15.325 10.409 1.00 0.00 C ATOM 638 O ALA A 672 5.963 16.022 10.999 1.00 0.00 O ATOM 639 CB ALA A 672 5.386 12.864 10.650 1.00 0.00 C ATOM 0 H ALA A 672 3.034 12.998 10.116 1.00 0.00 H new ATOM 0 HA ALA A 672 4.603 14.193 12.126 1.00 0.00 H new ATOM 0 HB1 ALA A 672 6.421 13.010 10.959 1.00 0.00 H new ATOM 0 HB2 ALA A 672 4.983 11.976 11.137 1.00 0.00 H new ATOM 0 HB3 ALA A 672 5.345 12.735 9.568 1.00 0.00 H new ATOM 645 N LYS A 673 4.689 15.605 9.199 1.00 0.00 N ATOM 646 CA LYS A 673 5.137 16.782 8.469 1.00 0.00 C ATOM 647 C LYS A 673 4.240 17.979 8.771 1.00 0.00 C ATOM 648 O LYS A 673 4.616 19.125 8.526 1.00 0.00 O ATOM 649 CB LYS A 673 5.169 16.511 6.960 1.00 0.00 C ATOM 650 CG LYS A 673 4.079 15.565 6.475 1.00 0.00 C ATOM 651 CD LYS A 673 3.363 16.114 5.252 1.00 0.00 C ATOM 652 CE LYS A 673 3.808 15.411 3.980 1.00 0.00 C ATOM 653 NZ LYS A 673 3.496 16.212 2.764 1.00 0.00 N ATOM 0 H LYS A 673 4.010 15.032 8.698 1.00 0.00 H new ATOM 0 HA LYS A 673 6.150 17.015 8.799 1.00 0.00 H new ATOM 0 HB2 LYS A 673 5.075 17.459 6.430 1.00 0.00 H new ATOM 0 HB3 LYS A 673 6.141 16.093 6.697 1.00 0.00 H new ATOM 0 HG2 LYS A 673 4.518 14.596 6.236 1.00 0.00 H new ATOM 0 HG3 LYS A 673 3.358 15.400 7.275 1.00 0.00 H new ATOM 0 HD2 LYS A 673 2.287 15.995 5.376 1.00 0.00 H new ATOM 0 HD3 LYS A 673 3.558 17.183 5.165 1.00 0.00 H new ATOM 0 HE2 LYS A 673 4.881 15.223 4.025 1.00 0.00 H new ATOM 0 HE3 LYS A 673 3.317 14.440 3.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 673 3.815 15.698 1.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 673 2.470 16.370 2.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 673 3.985 17.128 2.817 1.00 0.00 H new ATOM 667 N PHE A 674 3.050 17.706 9.302 1.00 0.00 N ATOM 668 CA PHE A 674 2.100 18.761 9.633 1.00 0.00 C ATOM 669 C PHE A 674 2.277 19.228 11.073 1.00 0.00 C ATOM 670 O PHE A 674 2.089 20.405 11.380 1.00 0.00 O ATOM 671 CB PHE A 674 0.673 18.261 9.429 1.00 0.00 C ATOM 672 CG PHE A 674 -0.364 19.345 9.507 1.00 0.00 C ATOM 673 CD1 PHE A 674 -0.913 19.712 10.725 1.00 0.00 C ATOM 674 CD2 PHE A 674 -0.790 19.996 8.360 1.00 0.00 C ATOM 675 CE1 PHE A 674 -1.868 20.708 10.798 1.00 0.00 C ATOM 676 CE2 PHE A 674 -1.745 20.993 8.427 1.00 0.00 C ATOM 677 CZ PHE A 674 -2.285 21.349 9.648 1.00 0.00 C ATOM 0 H PHE A 674 2.723 16.763 9.511 1.00 0.00 H new ATOM 0 HA PHE A 674 2.290 19.606 8.971 1.00 0.00 H new ATOM 0 HB2 PHE A 674 0.604 17.774 8.456 1.00 0.00 H new ATOM 0 HB3 PHE A 674 0.452 17.504 10.181 1.00 0.00 H new ATOM 0 HD1 PHE A 674 -0.591 19.214 11.628 1.00 0.00 H new ATOM 0 HD2 PHE A 674 -0.371 19.721 7.403 1.00 0.00 H new ATOM 0 HE1 PHE A 674 -2.288 20.985 11.754 1.00 0.00 H new ATOM 0 HE2 PHE A 674 -2.069 21.493 7.526 1.00 0.00 H new ATOM 0 HZ PHE A 674 -3.032 22.127 9.703 1.00 0.00 H new ATOM 687 N VAL A 675 2.635 18.299 11.953 1.00 0.00 N ATOM 688 CA VAL A 675 2.830 18.622 13.360 1.00 0.00 C ATOM 689 C VAL A 675 4.297 18.915 13.665 1.00 0.00 C ATOM 690 O VAL A 675 4.627 19.421 14.737 1.00 0.00 O ATOM 691 CB VAL A 675 2.339 17.480 14.271 1.00 0.00 C ATOM 692 CG1 VAL A 675 2.473 17.863 15.738 1.00 0.00 C ATOM 693 CG2 VAL A 675 0.900 17.117 13.938 1.00 0.00 C ATOM 0 H VAL A 675 2.795 17.320 11.717 1.00 0.00 H new ATOM 0 HA VAL A 675 2.240 19.516 13.563 1.00 0.00 H new ATOM 0 HB VAL A 675 2.965 16.605 14.093 1.00 0.00 H new ATOM 0 HG11 VAL A 675 2.120 17.042 16.362 1.00 0.00 H new ATOM 0 HG12 VAL A 675 3.519 18.069 15.966 1.00 0.00 H new ATOM 0 HG13 VAL A 675 1.876 18.753 15.938 1.00 0.00 H new ATOM 0 HG21 VAL A 675 0.568 16.309 14.590 1.00 0.00 H new ATOM 0 HG22 VAL A 675 0.262 17.988 14.086 1.00 0.00 H new ATOM 0 HG23 VAL A 675 0.837 16.793 12.899 1.00 0.00 H new ATOM 703 N PHE A 676 5.174 18.601 12.716 1.00 0.00 N ATOM 704 CA PHE A 676 6.603 18.842 12.892 1.00 0.00 C ATOM 705 C PHE A 676 7.192 19.532 11.666 1.00 0.00 C ATOM 706 O PHE A 676 8.323 20.051 11.767 1.00 0.00 O ATOM 707 CB PHE A 676 7.346 17.529 13.155 1.00 0.00 C ATOM 708 CG PHE A 676 6.649 16.616 14.126 1.00 0.00 C ATOM 709 CD1 PHE A 676 5.454 16.002 13.787 1.00 0.00 C ATOM 710 CD2 PHE A 676 7.196 16.367 15.374 1.00 0.00 C ATOM 711 CE1 PHE A 676 4.817 15.157 14.677 1.00 0.00 C ATOM 712 CE2 PHE A 676 6.563 15.525 16.268 1.00 0.00 C ATOM 713 CZ PHE A 676 5.372 14.919 15.919 1.00 0.00 C ATOM 714 OXT PHE A 676 6.517 19.547 10.615 1.00 0.00 O ATOM 0 H PHE A 676 4.922 18.181 11.821 1.00 0.00 H new ATOM 0 HA PHE A 676 6.726 19.496 13.755 1.00 0.00 H new ATOM 0 HB2 PHE A 676 7.480 17.003 12.210 1.00 0.00 H new ATOM 0 HB3 PHE A 676 8.341 17.757 13.537 1.00 0.00 H new ATOM 0 HD1 PHE A 676 5.015 16.185 12.817 1.00 0.00 H new ATOM 0 HD2 PHE A 676 8.128 16.837 15.651 1.00 0.00 H new ATOM 0 HE1 PHE A 676 3.886 14.684 14.401 1.00 0.00 H new ATOM 0 HE2 PHE A 676 6.999 15.341 17.239 1.00 0.00 H new ATOM 0 HZ PHE A 676 4.876 14.260 16.616 1.00 0.00 H new TER 724 PHE A 676