USER MOD reduce.3.24.130724 H: found=0, std=0, add=354, rem=0, adj=5 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 54:sc= -0.432 USER MOD Single : A 633 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0675) USER MOD Single : A 634 THR OG1 : rot 180:sc= -0.807 USER MOD Single : A 638 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 641 ASN : amide:sc= -0.221 X(o=-0.22,f=-0.074) USER MOD Single : A 643 ASN : amide:sc= 0.48 K(o=0.48,f=-4.9!) USER MOD Single : A 646 THR OG1 : rot -43:sc= 0.276 USER MOD Single : A 650 GLN : amide:sc=-0.000131 X(o=-0.00013,f=-0.03) 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 8.067 -22.126 3.391 1.00 0.00 N ATOM 2 CA GLY A 630 7.951 -21.137 2.284 1.00 0.00 C ATOM 3 C GLY A 630 9.290 -20.544 1.893 1.00 0.00 C ATOM 4 O GLY A 630 10.320 -21.214 1.974 1.00 0.00 O ATOM 0 HA2 GLY A 630 7.503 -21.620 1.415 1.00 0.00 H new ATOM 0 HA3 GLY A 630 7.277 -20.336 2.586 1.00 0.00 H new ATOM 10 N SER A 631 9.277 -19.285 1.468 1.00 0.00 N ATOM 11 CA SER A 631 10.502 -18.604 1.064 1.00 0.00 C ATOM 12 C SER A 631 10.585 -17.212 1.686 1.00 0.00 C ATOM 13 O SER A 631 11.638 -16.807 2.178 1.00 0.00 O ATOM 14 CB SER A 631 10.583 -18.505 -0.462 1.00 0.00 C ATOM 15 OG SER A 631 9.400 -18.989 -1.072 1.00 0.00 O ATOM 0 H SER A 631 8.433 -18.716 1.394 1.00 0.00 H new ATOM 0 HA SER A 631 11.347 -19.191 1.424 1.00 0.00 H new ATOM 0 HB2 SER A 631 10.747 -17.467 -0.753 1.00 0.00 H new ATOM 0 HB3 SER A 631 11.440 -19.076 -0.821 1.00 0.00 H new ATOM 0 HG SER A 631 8.624 -18.528 -0.692 1.00 0.00 H new ATOM 21 N ASP A 632 9.471 -16.483 1.667 1.00 0.00 N ATOM 22 CA ASP A 632 9.437 -15.142 2.238 1.00 0.00 C ATOM 23 C ASP A 632 8.150 -14.907 3.035 1.00 0.00 C ATOM 24 O ASP A 632 8.003 -15.409 4.149 1.00 0.00 O ATOM 25 CB ASP A 632 9.603 -14.087 1.143 1.00 0.00 C ATOM 26 CG ASP A 632 9.641 -12.675 1.696 1.00 0.00 C ATOM 27 OD1 ASP A 632 9.530 -12.517 2.931 1.00 0.00 O ATOM 28 OD2 ASP A 632 9.782 -11.727 0.895 1.00 0.00 O ATOM 0 H ASP A 632 8.587 -16.797 1.265 1.00 0.00 H new ATOM 0 HA ASP A 632 10.273 -15.051 2.931 1.00 0.00 H new ATOM 0 HB2 ASP A 632 10.523 -14.282 0.592 1.00 0.00 H new ATOM 0 HB3 ASP A 632 8.781 -14.173 0.433 1.00 0.00 H new ATOM 33 N LYS A 633 7.227 -14.138 2.464 1.00 0.00 N ATOM 34 CA LYS A 633 5.957 -13.828 3.119 1.00 0.00 C ATOM 35 C LYS A 633 5.316 -15.077 3.719 1.00 0.00 C ATOM 36 O LYS A 633 4.825 -15.051 4.847 1.00 0.00 O ATOM 37 CB LYS A 633 4.995 -13.182 2.119 1.00 0.00 C ATOM 38 CG LYS A 633 4.900 -13.929 0.798 1.00 0.00 C ATOM 39 CD LYS A 633 3.941 -13.243 -0.161 1.00 0.00 C ATOM 40 CE LYS A 633 4.528 -11.951 -0.706 1.00 0.00 C ATOM 41 NZ LYS A 633 3.536 -11.187 -1.512 1.00 0.00 N ATOM 0 H LYS A 633 7.335 -13.715 1.542 1.00 0.00 H new ATOM 0 HA LYS A 633 6.163 -13.131 3.931 1.00 0.00 H new ATOM 0 HB2 LYS A 633 4.003 -13.125 2.567 1.00 0.00 H new ATOM 0 HB3 LYS A 633 5.317 -12.159 1.926 1.00 0.00 H new ATOM 0 HG2 LYS A 633 5.888 -13.993 0.343 1.00 0.00 H new ATOM 0 HG3 LYS A 633 4.566 -14.951 0.979 1.00 0.00 H new ATOM 0 HD2 LYS A 633 3.708 -13.915 -0.987 1.00 0.00 H new ATOM 0 HD3 LYS A 633 3.003 -13.030 0.351 1.00 0.00 H new ATOM 0 HE2 LYS A 633 4.876 -11.333 0.122 1.00 0.00 H new ATOM 0 HE3 LYS A 633 5.398 -12.179 -1.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 633 3.921 -10.248 -1.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 633 3.337 -11.700 -2.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 633 2.656 -11.079 -0.968 1.00 0.00 H new ATOM 55 N THR A 634 5.325 -16.167 2.960 1.00 0.00 N ATOM 56 CA THR A 634 4.741 -17.425 3.430 1.00 0.00 C ATOM 57 C THR A 634 5.140 -18.601 2.555 1.00 0.00 C ATOM 58 O THR A 634 5.191 -19.745 3.004 1.00 0.00 O ATOM 59 CB THR A 634 3.215 -17.320 3.511 1.00 0.00 C ATOM 60 OG1 THR A 634 2.790 -15.982 3.323 1.00 0.00 O ATOM 61 CG2 THR A 634 2.653 -17.797 4.833 1.00 0.00 C ATOM 0 H THR A 634 5.726 -16.209 2.023 1.00 0.00 H new ATOM 0 HA THR A 634 5.137 -17.607 4.429 1.00 0.00 H new ATOM 0 HB THR A 634 2.840 -17.967 2.718 1.00 0.00 H new ATOM 0 HG1 THR A 634 1.812 -15.939 3.377 1.00 0.00 H new ATOM 0 HG21 THR A 634 1.568 -17.696 4.825 1.00 0.00 H new ATOM 0 HG22 THR A 634 2.919 -18.843 4.985 1.00 0.00 H new ATOM 0 HG23 THR A 634 3.067 -17.196 5.643 1.00 0.00 H new ATOM 69 N LEU A 635 5.429 -18.297 1.315 1.00 0.00 N ATOM 70 CA LEU A 635 5.844 -19.297 0.339 1.00 0.00 C ATOM 71 C LEU A 635 5.978 -18.679 -1.046 1.00 0.00 C ATOM 72 O LEU A 635 7.025 -18.793 -1.683 1.00 0.00 O ATOM 73 CB LEU A 635 4.864 -20.479 0.312 1.00 0.00 C ATOM 74 CG LEU A 635 4.971 -21.407 -0.908 1.00 0.00 C ATOM 75 CD1 LEU A 635 4.318 -20.774 -2.130 1.00 0.00 C ATOM 76 CD2 LEU A 635 6.427 -21.754 -1.197 1.00 0.00 C ATOM 0 H LEU A 635 5.386 -17.348 0.944 1.00 0.00 H new ATOM 0 HA LEU A 635 6.821 -19.674 0.641 1.00 0.00 H new ATOM 0 HB2 LEU A 635 5.017 -21.074 1.212 1.00 0.00 H new ATOM 0 HB3 LEU A 635 3.848 -20.086 0.358 1.00 0.00 H new ATOM 0 HG LEU A 635 4.439 -22.330 -0.677 1.00 0.00 H new ATOM 0 HD11 LEU A 635 4.406 -21.450 -2.981 1.00 0.00 H new ATOM 0 HD12 LEU A 635 3.264 -20.587 -1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 635 4.815 -19.832 -2.361 1.00 0.00 H new ATOM 0 HD21 LEU A 635 6.479 -22.412 -2.065 1.00 0.00 H new ATOM 0 HD22 LEU A 635 6.985 -20.840 -1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 635 6.859 -22.258 -0.333 1.00 0.00 H new ATOM 88 N PRO A 636 4.933 -17.993 -1.531 1.00 0.00 N ATOM 89 CA PRO A 636 4.981 -17.346 -2.838 1.00 0.00 C ATOM 90 C PRO A 636 6.158 -16.385 -2.910 1.00 0.00 C ATOM 91 O PRO A 636 6.666 -16.078 -3.989 1.00 0.00 O ATOM 92 CB PRO A 636 3.656 -16.587 -2.930 1.00 0.00 C ATOM 93 CG PRO A 636 2.763 -17.220 -1.918 1.00 0.00 C ATOM 94 CD PRO A 636 3.655 -17.767 -0.839 1.00 0.00 C ATOM 0 HA PRO A 636 5.111 -18.056 -3.655 1.00 0.00 H new ATOM 0 HB2 PRO A 636 3.796 -15.526 -2.721 1.00 0.00 H new ATOM 0 HB3 PRO A 636 3.230 -16.661 -3.931 1.00 0.00 H new ATOM 0 HG2 PRO A 636 2.063 -16.491 -1.509 1.00 0.00 H new ATOM 0 HG3 PRO A 636 2.169 -18.015 -2.369 1.00 0.00 H new ATOM 0 HD2 PRO A 636 3.764 -17.063 -0.014 1.00 0.00 H new ATOM 0 HD3 PRO A 636 3.257 -18.691 -0.419 1.00 0.00 H new ATOM 102 N ASP A 637 6.587 -15.933 -1.729 1.00 0.00 N ATOM 103 CA ASP A 637 7.714 -15.014 -1.588 1.00 0.00 C ATOM 104 C ASP A 637 7.844 -14.072 -2.777 1.00 0.00 C ATOM 105 O ASP A 637 8.946 -13.774 -3.238 1.00 0.00 O ATOM 106 CB ASP A 637 9.004 -15.802 -1.378 1.00 0.00 C ATOM 107 CG ASP A 637 9.532 -16.421 -2.660 1.00 0.00 C ATOM 108 OD1 ASP A 637 8.886 -17.356 -3.178 1.00 0.00 O ATOM 109 OD2 ASP A 637 10.590 -15.969 -3.145 1.00 0.00 O ATOM 0 H ASP A 637 6.159 -16.197 -0.841 1.00 0.00 H new ATOM 0 HA ASP A 637 7.526 -14.391 -0.713 1.00 0.00 H new ATOM 0 HB2 ASP A 637 9.763 -15.142 -0.959 1.00 0.00 H new ATOM 0 HB3 ASP A 637 8.828 -16.590 -0.646 1.00 0.00 H new ATOM 114 N GLN A 638 6.702 -13.607 -3.253 1.00 0.00 N ATOM 115 CA GLN A 638 6.642 -12.684 -4.384 1.00 0.00 C ATOM 116 C GLN A 638 7.605 -13.097 -5.496 1.00 0.00 C ATOM 117 O GLN A 638 8.604 -12.424 -5.751 1.00 0.00 O ATOM 118 CB GLN A 638 6.954 -11.262 -3.914 1.00 0.00 C ATOM 119 CG GLN A 638 8.281 -11.133 -3.183 1.00 0.00 C ATOM 120 CD GLN A 638 8.651 -9.690 -2.899 1.00 0.00 C ATOM 121 OE1 GLN A 638 7.900 -8.770 -3.222 1.00 0.00 O ATOM 122 NE2 GLN A 638 9.814 -9.485 -2.292 1.00 0.00 N ATOM 0 H GLN A 638 5.790 -13.855 -2.871 1.00 0.00 H new ATOM 0 HA GLN A 638 5.632 -12.716 -4.792 1.00 0.00 H new ATOM 0 HB2 GLN A 638 6.960 -10.597 -4.778 1.00 0.00 H new ATOM 0 HB3 GLN A 638 6.153 -10.923 -3.256 1.00 0.00 H new ATOM 0 HG2 GLN A 638 8.229 -11.683 -2.243 1.00 0.00 H new ATOM 0 HG3 GLN A 638 9.067 -11.595 -3.780 1.00 0.00 H new ATOM 0 HE21 GLN A 638 10.405 -10.278 -2.042 1.00 0.00 H new ATOM 0 HE22 GLN A 638 10.116 -8.535 -2.076 1.00 0.00 H new ATOM 131 N GLY A 639 7.296 -14.208 -6.156 1.00 0.00 N ATOM 132 CA GLY A 639 8.142 -14.691 -7.231 1.00 0.00 C ATOM 133 C GLY A 639 7.351 -15.048 -8.473 1.00 0.00 C ATOM 134 O GLY A 639 7.605 -14.515 -9.554 1.00 0.00 O ATOM 0 H GLY A 639 6.475 -14.782 -5.966 1.00 0.00 H new ATOM 0 HA2 GLY A 639 8.879 -13.928 -7.480 1.00 0.00 H new ATOM 0 HA3 GLY A 639 8.693 -15.568 -6.890 1.00 0.00 H new ATOM 138 N ASP A 640 6.389 -15.951 -8.319 1.00 0.00 N ATOM 139 CA ASP A 640 5.556 -16.377 -9.436 1.00 0.00 C ATOM 140 C ASP A 640 4.320 -15.491 -9.561 1.00 0.00 C ATOM 141 O ASP A 640 3.785 -15.304 -10.654 1.00 0.00 O ATOM 142 CB ASP A 640 5.136 -17.838 -9.259 1.00 0.00 C ATOM 143 CG ASP A 640 6.058 -18.796 -9.987 1.00 0.00 C ATOM 144 OD1 ASP A 640 7.262 -18.828 -9.657 1.00 0.00 O ATOM 145 OD2 ASP A 640 5.576 -19.515 -10.888 1.00 0.00 O ATOM 0 H ASP A 640 6.167 -16.402 -7.431 1.00 0.00 H new ATOM 0 HA ASP A 640 6.142 -16.284 -10.350 1.00 0.00 H new ATOM 0 HB2 ASP A 640 5.126 -18.084 -8.197 1.00 0.00 H new ATOM 0 HB3 ASP A 640 4.118 -17.968 -9.626 1.00 0.00 H new ATOM 150 N ASN A 641 3.872 -14.947 -8.433 1.00 0.00 N ATOM 151 CA ASN A 641 2.701 -14.080 -8.416 1.00 0.00 C ATOM 152 C ASN A 641 2.691 -13.206 -7.165 1.00 0.00 C ATOM 153 O ASN A 641 2.202 -13.617 -6.113 1.00 0.00 O ATOM 154 CB ASN A 641 1.420 -14.915 -8.482 1.00 0.00 C ATOM 155 CG ASN A 641 0.424 -14.369 -9.486 1.00 0.00 C ATOM 156 OD1 ASN A 641 -0.751 -14.181 -9.173 1.00 0.00 O ATOM 157 ND2 ASN A 641 0.891 -14.111 -10.702 1.00 0.00 N ATOM 0 H ASN A 641 4.303 -15.092 -7.520 1.00 0.00 H new ATOM 0 HA ASN A 641 2.747 -13.431 -9.290 1.00 0.00 H new ATOM 0 HB2 ASN A 641 1.672 -15.942 -8.747 1.00 0.00 H new ATOM 0 HB3 ASN A 641 0.958 -14.945 -7.495 1.00 0.00 H new ATOM 0 HD21 ASN A 641 0.268 -13.742 -11.420 1.00 0.00 H new ATOM 0 HD22 ASN A 641 1.873 -14.282 -10.918 1.00 0.00 H new ATOM 164 N ASP A 642 3.236 -12.000 -7.288 1.00 0.00 N ATOM 165 CA ASP A 642 3.290 -11.066 -6.169 1.00 0.00 C ATOM 166 C ASP A 642 2.217 -9.991 -6.309 1.00 0.00 C ATOM 167 O ASP A 642 1.624 -9.558 -5.322 1.00 0.00 O ATOM 168 CB ASP A 642 4.673 -10.417 -6.088 1.00 0.00 C ATOM 169 CG ASP A 642 4.996 -9.584 -7.313 1.00 0.00 C ATOM 170 OD1 ASP A 642 5.483 -10.158 -8.310 1.00 0.00 O ATOM 171 OD2 ASP A 642 4.761 -8.358 -7.276 1.00 0.00 O ATOM 0 H ASP A 642 3.647 -11.646 -8.152 1.00 0.00 H new ATOM 0 HA ASP A 642 3.104 -11.623 -5.251 1.00 0.00 H new ATOM 0 HB2 ASP A 642 4.724 -9.787 -5.200 1.00 0.00 H new ATOM 0 HB3 ASP A 642 5.429 -11.194 -5.971 1.00 0.00 H new ATOM 176 N ASN A 643 1.975 -9.567 -7.544 1.00 0.00 N ATOM 177 CA ASN A 643 0.977 -8.542 -7.828 1.00 0.00 C ATOM 178 C ASN A 643 -0.388 -8.911 -7.250 1.00 0.00 C ATOM 179 O ASN A 643 -1.227 -8.040 -7.020 1.00 0.00 O ATOM 180 CB ASN A 643 0.860 -8.331 -9.338 1.00 0.00 C ATOM 181 CG ASN A 643 2.211 -8.147 -10.000 1.00 0.00 C ATOM 182 OD1 ASN A 643 3.102 -8.985 -9.863 1.00 0.00 O ATOM 183 ND2 ASN A 643 2.370 -7.045 -10.724 1.00 0.00 N ATOM 0 H ASN A 643 2.459 -9.920 -8.369 1.00 0.00 H new ATOM 0 HA ASN A 643 1.305 -7.617 -7.353 1.00 0.00 H new ATOM 0 HB2 ASN A 643 0.353 -9.187 -9.784 1.00 0.00 H new ATOM 0 HB3 ASN A 643 0.240 -7.456 -9.533 1.00 0.00 H new ATOM 0 HD21 ASN A 643 3.258 -6.867 -11.193 1.00 0.00 H new ATOM 0 HD22 ASN A 643 1.604 -6.377 -10.811 1.00 0.00 H new ATOM 190 N TRP A 644 -0.610 -10.203 -7.018 1.00 0.00 N ATOM 191 CA TRP A 644 -1.879 -10.675 -6.469 1.00 0.00 C ATOM 192 C TRP A 644 -2.291 -9.855 -5.247 1.00 0.00 C ATOM 193 O TRP A 644 -3.478 -9.714 -4.954 1.00 0.00 O ATOM 194 CB TRP A 644 -1.784 -12.160 -6.102 1.00 0.00 C ATOM 195 CG TRP A 644 -1.006 -12.422 -4.847 1.00 0.00 C ATOM 196 CD1 TRP A 644 0.333 -12.239 -4.660 1.00 0.00 C ATOM 197 CD2 TRP A 644 -1.522 -12.916 -3.605 1.00 0.00 C ATOM 198 NE1 TRP A 644 0.683 -12.588 -3.378 1.00 0.00 N ATOM 199 CE2 TRP A 644 -0.439 -13.007 -2.710 1.00 0.00 C ATOM 200 CE3 TRP A 644 -2.794 -13.290 -3.163 1.00 0.00 C ATOM 201 CZ2 TRP A 644 -0.590 -13.455 -1.401 1.00 0.00 C ATOM 202 CZ3 TRP A 644 -2.943 -13.735 -1.862 1.00 0.00 C ATOM 203 CH2 TRP A 644 -1.846 -13.814 -0.995 1.00 0.00 C ATOM 0 H TRP A 644 0.071 -10.940 -7.201 1.00 0.00 H new ATOM 0 HA TRP A 644 -2.643 -10.549 -7.236 1.00 0.00 H new ATOM 0 HB2 TRP A 644 -2.791 -12.562 -5.985 1.00 0.00 H new ATOM 0 HB3 TRP A 644 -1.319 -12.700 -6.927 1.00 0.00 H new ATOM 0 HD1 TRP A 644 1.018 -11.873 -5.410 1.00 0.00 H new ATOM 0 HE1 TRP A 644 1.624 -12.543 -2.987 1.00 0.00 H new ATOM 0 HE3 TRP A 644 -3.645 -13.233 -3.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 644 0.254 -13.517 -0.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 644 -3.921 -14.026 -1.509 1.00 0.00 H new ATOM 0 HH2 TRP A 644 -1.995 -14.166 0.015 1.00 0.00 H new ATOM 214 N TRP A 645 -1.303 -9.315 -4.539 1.00 0.00 N ATOM 215 CA TRP A 645 -1.568 -8.511 -3.352 1.00 0.00 C ATOM 216 C TRP A 645 -0.500 -7.437 -3.161 1.00 0.00 C ATOM 217 O TRP A 645 -0.292 -6.949 -2.050 1.00 0.00 O ATOM 218 CB TRP A 645 -1.635 -9.405 -2.113 1.00 0.00 C ATOM 219 CG TRP A 645 -2.666 -8.966 -1.119 1.00 0.00 C ATOM 220 CD1 TRP A 645 -3.996 -9.273 -1.129 1.00 0.00 C ATOM 221 CD2 TRP A 645 -2.452 -8.138 0.030 1.00 0.00 C ATOM 222 NE1 TRP A 645 -4.623 -8.688 -0.055 1.00 0.00 N ATOM 223 CE2 TRP A 645 -3.696 -7.986 0.672 1.00 0.00 C ATOM 224 CE3 TRP A 645 -1.330 -7.513 0.580 1.00 0.00 C ATOM 225 CZ2 TRP A 645 -3.848 -7.234 1.834 1.00 0.00 C ATOM 226 CZ3 TRP A 645 -1.482 -6.766 1.734 1.00 0.00 C ATOM 227 CH2 TRP A 645 -2.732 -6.633 2.350 1.00 0.00 C ATOM 0 H TRP A 645 -0.314 -9.420 -4.767 1.00 0.00 H new ATOM 0 HA TRP A 645 -2.529 -8.015 -3.491 1.00 0.00 H new ATOM 0 HB2 TRP A 645 -1.852 -10.427 -2.423 1.00 0.00 H new ATOM 0 HB3 TRP A 645 -0.658 -9.418 -1.630 1.00 0.00 H new ATOM 0 HD1 TRP A 645 -4.484 -9.886 -1.872 1.00 0.00 H new ATOM 0 HE1 TRP A 645 -5.616 -8.764 0.165 1.00 0.00 H new ATOM 0 HE3 TRP A 645 -0.361 -7.611 0.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 645 -4.811 -7.129 2.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 645 -0.622 -6.277 2.167 1.00 0.00 H new ATOM 0 HH2 TRP A 645 -2.817 -6.044 3.251 1.00 0.00 H new ATOM 238 N THR A 646 0.174 -7.067 -4.248 1.00 0.00 N ATOM 239 CA THR A 646 1.214 -6.045 -4.186 1.00 0.00 C ATOM 240 C THR A 646 1.494 -5.455 -5.567 1.00 0.00 C ATOM 241 O THR A 646 2.599 -4.984 -5.837 1.00 0.00 O ATOM 242 CB THR A 646 2.500 -6.628 -3.589 1.00 0.00 C ATOM 243 OG1 THR A 646 3.382 -5.593 -3.196 1.00 0.00 O ATOM 244 CG2 THR A 646 3.255 -7.536 -4.538 1.00 0.00 C ATOM 0 H THR A 646 0.019 -7.458 -5.177 1.00 0.00 H new ATOM 0 HA THR A 646 0.856 -5.242 -3.542 1.00 0.00 H new ATOM 0 HB THR A 646 2.173 -7.221 -2.735 1.00 0.00 H new ATOM 0 HG1 THR A 646 3.399 -4.898 -3.886 1.00 0.00 H new ATOM 0 HG21 THR A 646 4.153 -7.910 -4.046 1.00 0.00 H new ATOM 0 HG22 THR A 646 2.620 -8.375 -4.821 1.00 0.00 H new ATOM 0 HG23 THR A 646 3.536 -6.977 -5.430 1.00 0.00 H new ATOM 252 N GLY A 647 0.489 -5.483 -6.436 1.00 0.00 N ATOM 253 CA GLY A 647 0.653 -4.946 -7.774 1.00 0.00 C ATOM 254 C GLY A 647 -0.643 -4.407 -8.346 1.00 0.00 C ATOM 255 O GLY A 647 -0.921 -3.211 -8.253 1.00 0.00 O ATOM 0 H GLY A 647 -0.435 -5.867 -6.238 1.00 0.00 H new ATOM 0 HA2 GLY A 647 1.397 -4.149 -7.754 1.00 0.00 H new ATOM 0 HA3 GLY A 647 1.039 -5.726 -8.430 1.00 0.00 H new ATOM 259 N TRP A 648 -1.437 -5.291 -8.940 1.00 0.00 N ATOM 260 CA TRP A 648 -2.712 -4.901 -9.531 1.00 0.00 C ATOM 261 C TRP A 648 -3.791 -4.751 -8.462 1.00 0.00 C ATOM 262 O TRP A 648 -4.791 -4.067 -8.673 1.00 0.00 O ATOM 263 CB TRP A 648 -3.152 -5.932 -10.573 1.00 0.00 C ATOM 264 CG TRP A 648 -3.372 -7.299 -10.001 1.00 0.00 C ATOM 265 CD1 TRP A 648 -2.462 -8.315 -9.933 1.00 0.00 C ATOM 266 CD2 TRP A 648 -4.580 -7.801 -9.418 1.00 0.00 C ATOM 267 NE1 TRP A 648 -3.031 -9.418 -9.345 1.00 0.00 N ATOM 268 CE2 TRP A 648 -4.330 -9.127 -9.019 1.00 0.00 C ATOM 269 CE3 TRP A 648 -5.848 -7.257 -9.194 1.00 0.00 C ATOM 270 CZ2 TRP A 648 -5.303 -9.917 -8.410 1.00 0.00 C ATOM 271 CZ3 TRP A 648 -6.812 -8.042 -8.589 1.00 0.00 C ATOM 272 CH2 TRP A 648 -6.535 -9.359 -8.203 1.00 0.00 C ATOM 0 H TRP A 648 -1.220 -6.284 -9.025 1.00 0.00 H new ATOM 0 HA TRP A 648 -2.574 -3.935 -10.018 1.00 0.00 H new ATOM 0 HB2 TRP A 648 -4.074 -5.591 -11.044 1.00 0.00 H new ATOM 0 HB3 TRP A 648 -2.396 -5.991 -11.356 1.00 0.00 H new ATOM 0 HD1 TRP A 648 -1.444 -8.259 -10.289 1.00 0.00 H new ATOM 0 HE1 TRP A 648 -2.563 -10.309 -9.178 1.00 0.00 H new ATOM 0 HE3 TRP A 648 -6.071 -6.242 -9.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 648 -5.092 -10.933 -8.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 648 -7.795 -7.632 -8.411 1.00 0.00 H new ATOM 0 HH2 TRP A 648 -7.309 -9.946 -7.732 1.00 0.00 H new ATOM 283 N ARG A 649 -3.576 -5.386 -7.313 1.00 0.00 N ATOM 284 CA ARG A 649 -4.517 -5.319 -6.207 1.00 0.00 C ATOM 285 C ARG A 649 -4.237 -4.096 -5.348 1.00 0.00 C ATOM 286 O ARG A 649 -5.066 -3.688 -4.534 1.00 0.00 O ATOM 287 CB ARG A 649 -4.428 -6.587 -5.357 1.00 0.00 C ATOM 288 CG ARG A 649 -5.728 -6.940 -4.653 1.00 0.00 C ATOM 289 CD ARG A 649 -5.479 -7.772 -3.407 1.00 0.00 C ATOM 290 NE ARG A 649 -6.601 -8.658 -3.107 1.00 0.00 N ATOM 291 CZ ARG A 649 -6.981 -9.665 -3.890 1.00 0.00 C ATOM 292 NH1 ARG A 649 -6.332 -9.918 -5.020 1.00 0.00 N ATOM 293 NH2 ARG A 649 -8.014 -10.421 -3.543 1.00 0.00 N ATOM 0 H ARG A 649 -2.751 -5.956 -7.126 1.00 0.00 H new ATOM 0 HA ARG A 649 -5.525 -5.239 -6.615 1.00 0.00 H new ATOM 0 HB2 ARG A 649 -4.131 -7.421 -5.993 1.00 0.00 H new ATOM 0 HB3 ARG A 649 -3.643 -6.460 -4.611 1.00 0.00 H new ATOM 0 HG2 ARG A 649 -6.256 -6.026 -4.382 1.00 0.00 H new ATOM 0 HG3 ARG A 649 -6.375 -7.491 -5.336 1.00 0.00 H new ATOM 0 HD2 ARG A 649 -4.575 -8.365 -3.542 1.00 0.00 H new ATOM 0 HD3 ARG A 649 -5.303 -7.111 -2.559 1.00 0.00 H new ATOM 0 HE ARG A 649 -7.124 -8.495 -2.247 1.00 0.00 H new ATOM 0 HH11 ARG A 649 -5.537 -9.339 -5.292 1.00 0.00 H new ATOM 0 HH12 ARG A 649 -6.628 -10.691 -5.616 1.00 0.00 H new ATOM 0 HH21 ARG A 649 -8.517 -10.231 -2.676 1.00 0.00 H new ATOM 0 HH22 ARG A 649 -8.305 -11.193 -4.143 1.00 0.00 H new ATOM 307 N GLN A 650 -3.053 -3.519 -5.530 1.00 0.00 N ATOM 308 CA GLN A 650 -2.650 -2.351 -4.771 1.00 0.00 C ATOM 309 C GLN A 650 -3.408 -1.105 -5.223 1.00 0.00 C ATOM 310 O GLN A 650 -3.429 -0.094 -4.521 1.00 0.00 O ATOM 311 CB GLN A 650 -1.144 -2.125 -4.910 1.00 0.00 C ATOM 312 CG GLN A 650 -0.352 -2.529 -3.677 1.00 0.00 C ATOM 313 CD GLN A 650 0.270 -1.342 -2.968 1.00 0.00 C ATOM 314 OE1 GLN A 650 1.030 -0.577 -3.563 1.00 0.00 O ATOM 315 NE2 GLN A 650 -0.050 -1.182 -1.689 1.00 0.00 N ATOM 0 H GLN A 650 -2.357 -3.846 -6.200 1.00 0.00 H new ATOM 0 HA GLN A 650 -2.892 -2.533 -3.724 1.00 0.00 H new ATOM 0 HB2 GLN A 650 -0.778 -2.689 -5.768 1.00 0.00 H new ATOM 0 HB3 GLN A 650 -0.961 -1.071 -5.120 1.00 0.00 H new ATOM 0 HG2 GLN A 650 -1.008 -3.057 -2.985 1.00 0.00 H new ATOM 0 HG3 GLN A 650 0.434 -3.227 -3.967 1.00 0.00 H new ATOM 0 HE21 GLN A 650 -0.684 -1.840 -1.236 1.00 0.00 H new ATOM 0 HE22 GLN A 650 0.338 -0.401 -1.160 1.00 0.00 H new ATOM 324 N TRP A 651 -4.023 -1.176 -6.401 1.00 0.00 N ATOM 325 CA TRP A 651 -4.771 -0.046 -6.935 1.00 0.00 C ATOM 326 C TRP A 651 -5.715 -0.485 -8.051 1.00 0.00 C ATOM 327 O TRP A 651 -5.672 0.052 -9.158 1.00 0.00 O ATOM 328 CB TRP A 651 -3.807 1.023 -7.454 1.00 0.00 C ATOM 329 CG TRP A 651 -2.728 0.473 -8.337 1.00 0.00 C ATOM 330 CD1 TRP A 651 -1.777 -0.446 -7.994 1.00 0.00 C ATOM 331 CD2 TRP A 651 -2.488 0.807 -9.709 1.00 0.00 C ATOM 332 NE1 TRP A 651 -0.961 -0.703 -9.069 1.00 0.00 N ATOM 333 CE2 TRP A 651 -1.377 0.053 -10.134 1.00 0.00 C ATOM 334 CE3 TRP A 651 -3.105 1.669 -10.621 1.00 0.00 C ATOM 335 CZ2 TRP A 651 -0.872 0.136 -11.428 1.00 0.00 C ATOM 336 CZ3 TRP A 651 -2.602 1.750 -11.906 1.00 0.00 C ATOM 337 CH2 TRP A 651 -1.495 0.988 -12.299 1.00 0.00 C ATOM 0 H TRP A 651 -4.017 -2.001 -7.000 1.00 0.00 H new ATOM 0 HA TRP A 651 -5.373 0.372 -6.128 1.00 0.00 H new ATOM 0 HB2 TRP A 651 -4.372 1.773 -8.007 1.00 0.00 H new ATOM 0 HB3 TRP A 651 -3.348 1.531 -6.606 1.00 0.00 H new ATOM 0 HD1 TRP A 651 -1.681 -0.903 -7.020 1.00 0.00 H new ATOM 0 HE1 TRP A 651 -0.173 -1.351 -9.074 1.00 0.00 H new ATOM 0 HE3 TRP A 651 -3.959 2.261 -10.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 651 -0.019 -0.451 -11.734 1.00 0.00 H new ATOM 0 HZ3 TRP A 651 -3.071 2.412 -12.619 1.00 0.00 H new ATOM 0 HH2 TRP A 651 -1.125 1.074 -13.310 1.00 0.00 H new ATOM 348 N ILE A 652 -6.572 -1.458 -7.755 1.00 0.00 N ATOM 349 CA ILE A 652 -7.526 -1.950 -8.750 1.00 0.00 C ATOM 350 C ILE A 652 -8.592 -0.900 -9.044 1.00 0.00 C ATOM 351 O ILE A 652 -8.856 -0.576 -10.202 1.00 0.00 O ATOM 352 CB ILE A 652 -8.241 -3.254 -8.315 1.00 0.00 C ATOM 353 CG1 ILE A 652 -7.395 -4.056 -7.323 1.00 0.00 C ATOM 354 CG2 ILE A 652 -8.571 -4.100 -9.535 1.00 0.00 C ATOM 355 CD1 ILE A 652 -7.918 -4.006 -5.904 1.00 0.00 C ATOM 0 H ILE A 652 -6.628 -1.918 -6.846 1.00 0.00 H new ATOM 0 HA ILE A 652 -6.936 -2.163 -9.641 1.00 0.00 H new ATOM 0 HB ILE A 652 -9.166 -2.977 -7.810 1.00 0.00 H new ATOM 0 HG12 ILE A 652 -7.354 -5.095 -7.650 1.00 0.00 H new ATOM 0 HG13 ILE A 652 -6.373 -3.676 -7.339 1.00 0.00 H new ATOM 0 HG21 ILE A 652 -9.073 -5.014 -9.219 1.00 0.00 H new ATOM 0 HG22 ILE A 652 -9.226 -3.538 -10.201 1.00 0.00 H new ATOM 0 HG23 ILE A 652 -7.651 -4.355 -10.061 1.00 0.00 H new ATOM 0 HD11 ILE A 652 -7.270 -4.596 -5.256 1.00 0.00 H new ATOM 0 HD12 ILE A 652 -7.933 -2.972 -5.558 1.00 0.00 H new ATOM 0 HD13 ILE A 652 -8.929 -4.413 -5.874 1.00 0.00 H new ATOM 367 N PRO A 653 -9.233 -0.360 -7.991 1.00 0.00 N ATOM 368 CA PRO A 653 -10.279 0.638 -8.117 1.00 0.00 C ATOM 369 C PRO A 653 -9.750 2.065 -7.978 1.00 0.00 C ATOM 370 O PRO A 653 -9.535 2.755 -8.974 1.00 0.00 O ATOM 371 CB PRO A 653 -11.209 0.286 -6.949 1.00 0.00 C ATOM 372 CG PRO A 653 -10.371 -0.494 -5.969 1.00 0.00 C ATOM 373 CD PRO A 653 -9.007 -0.686 -6.583 1.00 0.00 C ATOM 0 HA PRO A 653 -10.759 0.621 -9.096 1.00 0.00 H new ATOM 0 HB2 PRO A 653 -11.612 1.187 -6.487 1.00 0.00 H new ATOM 0 HB3 PRO A 653 -12.059 -0.304 -7.292 1.00 0.00 H new ATOM 0 HG2 PRO A 653 -10.292 0.041 -5.022 1.00 0.00 H new ATOM 0 HG3 PRO A 653 -10.832 -1.458 -5.753 1.00 0.00 H new ATOM 0 HD2 PRO A 653 -8.264 -0.029 -6.130 1.00 0.00 H new ATOM 0 HD3 PRO A 653 -8.648 -1.707 -6.458 1.00 0.00 H new ATOM 381 N ALA A 654 -9.545 2.503 -6.736 1.00 0.00 N ATOM 382 CA ALA A 654 -9.045 3.845 -6.462 1.00 0.00 C ATOM 383 C ALA A 654 -9.131 4.159 -4.973 1.00 0.00 C ATOM 384 O ALA A 654 -10.215 4.399 -4.441 1.00 0.00 O ATOM 385 CB ALA A 654 -9.820 4.882 -7.264 1.00 0.00 C ATOM 0 H ALA A 654 -9.719 1.943 -5.902 1.00 0.00 H new ATOM 0 HA ALA A 654 -7.998 3.884 -6.764 1.00 0.00 H new ATOM 0 HB1 ALA A 654 -9.431 5.876 -7.045 1.00 0.00 H new ATOM 0 HB2 ALA A 654 -9.709 4.676 -8.329 1.00 0.00 H new ATOM 0 HB3 ALA A 654 -10.875 4.837 -6.993 1.00 0.00 H new ATOM 391 N GLY A 655 -7.984 4.153 -4.305 1.00 0.00 N ATOM 392 CA GLY A 655 -7.954 4.436 -2.883 1.00 0.00 C ATOM 393 C GLY A 655 -7.773 3.187 -2.044 1.00 0.00 C ATOM 394 O GLY A 655 -8.330 3.078 -0.952 1.00 0.00 O ATOM 0 H GLY A 655 -7.074 3.957 -4.723 1.00 0.00 H new ATOM 0 HA2 GLY A 655 -7.142 5.132 -2.672 1.00 0.00 H new ATOM 0 HA3 GLY A 655 -8.881 4.931 -2.595 1.00 0.00 H new ATOM 398 N ILE A 656 -6.990 2.241 -2.555 1.00 0.00 N ATOM 399 CA ILE A 656 -6.734 0.992 -1.845 1.00 0.00 C ATOM 400 C ILE A 656 -5.266 0.874 -1.432 1.00 0.00 C ATOM 401 O ILE A 656 -4.955 0.406 -0.337 1.00 0.00 O ATOM 402 CB ILE A 656 -7.109 -0.219 -2.713 1.00 0.00 C ATOM 403 CG1 ILE A 656 -7.067 -1.509 -1.888 1.00 0.00 C ATOM 404 CG2 ILE A 656 -6.175 -0.307 -3.905 1.00 0.00 C ATOM 405 CD1 ILE A 656 -8.415 -2.181 -1.748 1.00 0.00 C ATOM 0 H ILE A 656 -6.522 2.316 -3.458 1.00 0.00 H new ATOM 0 HA ILE A 656 -7.354 1.003 -0.948 1.00 0.00 H new ATOM 0 HB ILE A 656 -8.128 -0.090 -3.078 1.00 0.00 H new ATOM 0 HG12 ILE A 656 -6.369 -2.206 -2.353 1.00 0.00 H new ATOM 0 HG13 ILE A 656 -6.678 -1.283 -0.895 1.00 0.00 H new ATOM 0 HG21 ILE A 656 -6.446 -1.168 -4.517 1.00 0.00 H new ATOM 0 HG22 ILE A 656 -6.258 0.602 -4.500 1.00 0.00 H new ATOM 0 HG23 ILE A 656 -5.149 -0.419 -3.556 1.00 0.00 H new ATOM 0 HD11 ILE A 656 -8.309 -3.088 -1.152 1.00 0.00 H new ATOM 0 HD12 ILE A 656 -9.111 -1.502 -1.255 1.00 0.00 H new ATOM 0 HD13 ILE A 656 -8.798 -2.438 -2.736 1.00 0.00 H new ATOM 417 N GLY A 657 -4.369 1.304 -2.317 1.00 0.00 N ATOM 418 CA GLY A 657 -2.950 1.244 -2.028 1.00 0.00 C ATOM 419 C GLY A 657 -2.243 2.503 -2.471 1.00 0.00 C ATOM 420 O GLY A 657 -1.629 3.200 -1.664 1.00 0.00 O ATOM 0 H GLY A 657 -4.603 1.693 -3.230 1.00 0.00 H new ATOM 0 HA2 GLY A 657 -2.801 1.099 -0.958 1.00 0.00 H new ATOM 0 HA3 GLY A 657 -2.511 0.382 -2.531 1.00 0.00 H new ATOM 424 N VAL A 658 -2.352 2.806 -3.758 1.00 0.00 N ATOM 425 CA VAL A 658 -1.742 4.002 -4.311 1.00 0.00 C ATOM 426 C VAL A 658 -2.391 5.236 -3.701 1.00 0.00 C ATOM 427 O VAL A 658 -1.722 6.217 -3.379 1.00 0.00 O ATOM 428 CB VAL A 658 -1.879 4.030 -5.848 1.00 0.00 C ATOM 429 CG1 VAL A 658 -3.287 4.430 -6.270 1.00 0.00 C ATOM 430 CG2 VAL A 658 -0.843 4.959 -6.463 1.00 0.00 C ATOM 0 H VAL A 658 -2.858 2.238 -4.437 1.00 0.00 H new ATOM 0 HA VAL A 658 -0.680 3.996 -4.068 1.00 0.00 H new ATOM 0 HB VAL A 658 -1.697 3.021 -6.219 1.00 0.00 H new ATOM 0 HG11 VAL A 658 -3.352 4.441 -7.358 1.00 0.00 H new ATOM 0 HG12 VAL A 658 -4.004 3.713 -5.871 1.00 0.00 H new ATOM 0 HG13 VAL A 658 -3.514 5.423 -5.883 1.00 0.00 H new ATOM 0 HG21 VAL A 658 -0.957 4.964 -7.547 1.00 0.00 H new ATOM 0 HG22 VAL A 658 -0.986 5.969 -6.078 1.00 0.00 H new ATOM 0 HG23 VAL A 658 0.157 4.610 -6.205 1.00 0.00 H new ATOM 440 N THR A 659 -3.703 5.154 -3.524 1.00 0.00 N ATOM 441 CA THR A 659 -4.474 6.232 -2.923 1.00 0.00 C ATOM 442 C THR A 659 -5.067 5.767 -1.592 1.00 0.00 C ATOM 443 O THR A 659 -5.483 6.578 -0.770 1.00 0.00 O ATOM 444 CB THR A 659 -5.588 6.691 -3.871 1.00 0.00 C ATOM 445 OG1 THR A 659 -5.048 7.368 -4.994 1.00 0.00 O ATOM 446 CG2 THR A 659 -6.592 7.620 -3.219 1.00 0.00 C ATOM 0 H THR A 659 -4.260 4.342 -3.792 1.00 0.00 H new ATOM 0 HA THR A 659 -3.811 7.078 -2.740 1.00 0.00 H new ATOM 0 HB THR A 659 -6.102 5.777 -4.168 1.00 0.00 H new ATOM 0 HG1 THR A 659 -5.776 7.651 -5.587 1.00 0.00 H new ATOM 0 HG21 THR A 659 -7.351 7.905 -3.948 1.00 0.00 H new ATOM 0 HG22 THR A 659 -7.067 7.111 -2.380 1.00 0.00 H new ATOM 0 HG23 THR A 659 -6.081 8.513 -2.860 1.00 0.00 H new ATOM 454 N GLY A 660 -5.105 4.450 -1.391 1.00 0.00 N ATOM 455 CA GLY A 660 -5.644 3.900 -0.166 1.00 0.00 C ATOM 456 C GLY A 660 -4.637 3.913 0.970 1.00 0.00 C ATOM 457 O GLY A 660 -4.956 4.317 2.088 1.00 0.00 O ATOM 0 H GLY A 660 -4.770 3.756 -2.060 1.00 0.00 H new ATOM 0 HA2 GLY A 660 -6.525 4.470 0.128 1.00 0.00 H new ATOM 0 HA3 GLY A 660 -5.972 2.876 -0.345 1.00 0.00 H new ATOM 461 N VAL A 661 -3.415 3.478 0.678 1.00 0.00 N ATOM 462 CA VAL A 661 -2.346 3.449 1.673 1.00 0.00 C ATOM 463 C VAL A 661 -1.694 4.817 1.792 1.00 0.00 C ATOM 464 O VAL A 661 -1.707 5.440 2.852 1.00 0.00 O ATOM 465 CB VAL A 661 -1.272 2.395 1.328 1.00 0.00 C ATOM 466 CG1 VAL A 661 -0.126 2.440 2.328 1.00 0.00 C ATOM 467 CG2 VAL A 661 -1.887 1.004 1.283 1.00 0.00 C ATOM 0 H VAL A 661 -3.139 3.139 -0.244 1.00 0.00 H new ATOM 0 HA VAL A 661 -2.799 3.176 2.626 1.00 0.00 H new ATOM 0 HB VAL A 661 -0.870 2.629 0.342 1.00 0.00 H new ATOM 0 HG11 VAL A 661 0.618 1.688 2.063 1.00 0.00 H new ATOM 0 HG12 VAL A 661 0.334 3.428 2.310 1.00 0.00 H new ATOM 0 HG13 VAL A 661 -0.508 2.236 3.328 1.00 0.00 H new ATOM 0 HG21 VAL A 661 -1.116 0.273 1.038 1.00 0.00 H new ATOM 0 HG22 VAL A 661 -2.318 0.765 2.255 1.00 0.00 H new ATOM 0 HG23 VAL A 661 -2.668 0.976 0.523 1.00 0.00 H new ATOM 477 N VAL A 662 -1.126 5.272 0.679 1.00 0.00 N ATOM 478 CA VAL A 662 -0.461 6.566 0.610 1.00 0.00 C ATOM 479 C VAL A 662 -1.251 7.642 1.347 1.00 0.00 C ATOM 480 O VAL A 662 -0.680 8.586 1.887 1.00 0.00 O ATOM 481 CB VAL A 662 -0.274 6.991 -0.859 1.00 0.00 C ATOM 482 CG1 VAL A 662 0.197 8.437 -0.960 1.00 0.00 C ATOM 483 CG2 VAL A 662 0.702 6.058 -1.560 1.00 0.00 C ATOM 0 H VAL A 662 -1.115 4.753 -0.199 1.00 0.00 H new ATOM 0 HA VAL A 662 0.511 6.460 1.092 1.00 0.00 H new ATOM 0 HB VAL A 662 -1.241 6.921 -1.357 1.00 0.00 H new ATOM 0 HG11 VAL A 662 0.320 8.707 -2.009 1.00 0.00 H new ATOM 0 HG12 VAL A 662 -0.542 9.093 -0.500 1.00 0.00 H new ATOM 0 HG13 VAL A 662 1.150 8.546 -0.443 1.00 0.00 H new ATOM 0 HG21 VAL A 662 0.824 6.371 -2.597 1.00 0.00 H new ATOM 0 HG22 VAL A 662 1.667 6.094 -1.054 1.00 0.00 H new ATOM 0 HG23 VAL A 662 0.316 5.039 -1.532 1.00 0.00 H new ATOM 493 N ILE A 663 -2.565 7.498 1.347 1.00 0.00 N ATOM 494 CA ILE A 663 -3.440 8.460 1.996 1.00 0.00 C ATOM 495 C ILE A 663 -3.498 8.243 3.507 1.00 0.00 C ATOM 496 O ILE A 663 -3.616 9.197 4.276 1.00 0.00 O ATOM 497 CB ILE A 663 -4.852 8.388 1.384 1.00 0.00 C ATOM 498 CG1 ILE A 663 -5.528 9.760 1.427 1.00 0.00 C ATOM 499 CG2 ILE A 663 -5.711 7.340 2.081 1.00 0.00 C ATOM 500 CD1 ILE A 663 -6.245 10.119 0.145 1.00 0.00 C ATOM 0 H ILE A 663 -3.052 6.720 0.902 1.00 0.00 H new ATOM 0 HA ILE A 663 -3.028 9.455 1.826 1.00 0.00 H new ATOM 0 HB ILE A 663 -4.747 8.086 0.342 1.00 0.00 H new ATOM 0 HG12 ILE A 663 -6.242 9.779 2.251 1.00 0.00 H new ATOM 0 HG13 ILE A 663 -4.776 10.520 1.639 1.00 0.00 H new ATOM 0 HG21 ILE A 663 -6.700 7.317 1.623 1.00 0.00 H new ATOM 0 HG22 ILE A 663 -5.242 6.361 1.982 1.00 0.00 H new ATOM 0 HG23 ILE A 663 -5.806 7.591 3.137 1.00 0.00 H new ATOM 0 HD11 ILE A 663 -6.701 11.104 0.247 1.00 0.00 H new ATOM 0 HD12 ILE A 663 -5.532 10.132 -0.679 1.00 0.00 H new ATOM 0 HD13 ILE A 663 -7.020 9.380 -0.058 1.00 0.00 H new ATOM 512 N ALA A 664 -3.412 6.985 3.924 1.00 0.00 N ATOM 513 CA ALA A 664 -3.451 6.646 5.340 1.00 0.00 C ATOM 514 C ALA A 664 -2.084 6.840 5.991 1.00 0.00 C ATOM 515 O ALA A 664 -1.990 7.106 7.189 1.00 0.00 O ATOM 516 CB ALA A 664 -3.927 5.213 5.526 1.00 0.00 C ATOM 0 H ALA A 664 -3.315 6.183 3.301 1.00 0.00 H new ATOM 0 HA ALA A 664 -4.155 7.319 5.829 1.00 0.00 H new ATOM 0 HB1 ALA A 664 -3.951 4.973 6.589 1.00 0.00 H new ATOM 0 HB2 ALA A 664 -4.927 5.104 5.106 1.00 0.00 H new ATOM 0 HB3 ALA A 664 -3.244 4.534 5.016 1.00 0.00 H new ATOM 522 N VAL A 665 -1.027 6.713 5.193 1.00 0.00 N ATOM 523 CA VAL A 665 0.328 6.882 5.687 1.00 0.00 C ATOM 524 C VAL A 665 0.707 8.358 5.686 1.00 0.00 C ATOM 525 O VAL A 665 1.406 8.836 6.579 1.00 0.00 O ATOM 526 CB VAL A 665 1.335 6.069 4.841 1.00 0.00 C ATOM 527 CG1 VAL A 665 1.043 6.213 3.353 1.00 0.00 C ATOM 528 CG2 VAL A 665 2.759 6.490 5.150 1.00 0.00 C ATOM 0 H VAL A 665 -1.088 6.493 4.199 1.00 0.00 H new ATOM 0 HA VAL A 665 0.366 6.506 6.709 1.00 0.00 H new ATOM 0 HB VAL A 665 1.223 5.018 5.106 1.00 0.00 H new ATOM 0 HG11 VAL A 665 1.767 5.631 2.782 1.00 0.00 H new ATOM 0 HG12 VAL A 665 0.037 5.849 3.143 1.00 0.00 H new ATOM 0 HG13 VAL A 665 1.116 7.263 3.068 1.00 0.00 H new ATOM 0 HG21 VAL A 665 3.451 5.905 4.544 1.00 0.00 H new ATOM 0 HG22 VAL A 665 2.883 7.549 4.923 1.00 0.00 H new ATOM 0 HG23 VAL A 665 2.968 6.319 6.206 1.00 0.00 H new ATOM 538 N ILE A 666 0.222 9.071 4.679 1.00 0.00 N ATOM 539 CA ILE A 666 0.478 10.492 4.547 1.00 0.00 C ATOM 540 C ILE A 666 -0.431 11.273 5.480 1.00 0.00 C ATOM 541 O ILE A 666 -0.033 12.283 6.053 1.00 0.00 O ATOM 542 CB ILE A 666 0.227 10.953 3.100 1.00 0.00 C ATOM 543 CG1 ILE A 666 1.328 10.430 2.174 1.00 0.00 C ATOM 544 CG2 ILE A 666 0.138 12.471 3.018 1.00 0.00 C ATOM 545 CD1 ILE A 666 1.166 10.863 0.733 1.00 0.00 C ATOM 0 H ILE A 666 -0.357 8.680 3.936 1.00 0.00 H new ATOM 0 HA ILE A 666 1.520 10.677 4.808 1.00 0.00 H new ATOM 0 HB ILE A 666 -0.728 10.541 2.774 1.00 0.00 H new ATOM 0 HG12 ILE A 666 2.294 10.775 2.542 1.00 0.00 H new ATOM 0 HG13 ILE A 666 1.341 9.341 2.218 1.00 0.00 H new ATOM 0 HG21 ILE A 666 -0.040 12.770 1.985 1.00 0.00 H new ATOM 0 HG22 ILE A 666 -0.683 12.822 3.643 1.00 0.00 H new ATOM 0 HG23 ILE A 666 1.073 12.910 3.367 1.00 0.00 H new ATOM 0 HD11 ILE A 666 1.982 10.455 0.137 1.00 0.00 H new ATOM 0 HD12 ILE A 666 0.215 10.495 0.347 1.00 0.00 H new ATOM 0 HD13 ILE A 666 1.184 11.951 0.676 1.00 0.00 H new ATOM 557 N ALA A 667 -1.659 10.789 5.617 1.00 0.00 N ATOM 558 CA ALA A 667 -2.653 11.422 6.472 1.00 0.00 C ATOM 559 C ALA A 667 -2.035 11.914 7.778 1.00 0.00 C ATOM 560 O ALA A 667 -2.455 12.931 8.328 1.00 0.00 O ATOM 561 CB ALA A 667 -3.784 10.447 6.742 1.00 0.00 C ATOM 0 H ALA A 667 -1.992 9.951 5.141 1.00 0.00 H new ATOM 0 HA ALA A 667 -3.049 12.296 5.955 1.00 0.00 H new ATOM 0 HB1 ALA A 667 -4.528 10.921 7.382 1.00 0.00 H new ATOM 0 HB2 ALA A 667 -4.248 10.158 5.799 1.00 0.00 H new ATOM 0 HB3 ALA A 667 -3.390 9.561 7.239 1.00 0.00 H new ATOM 567 N LEU A 668 -1.030 11.190 8.264 1.00 0.00 N ATOM 568 CA LEU A 668 -0.353 11.558 9.492 1.00 0.00 C ATOM 569 C LEU A 668 0.743 12.585 9.220 1.00 0.00 C ATOM 570 O LEU A 668 0.678 13.717 9.700 1.00 0.00 O ATOM 571 CB LEU A 668 0.252 10.315 10.139 1.00 0.00 C ATOM 572 CG LEU A 668 1.112 10.582 11.374 1.00 0.00 C ATOM 573 CD1 LEU A 668 0.515 11.708 12.206 1.00 0.00 C ATOM 574 CD2 LEU A 668 1.247 9.313 12.199 1.00 0.00 C ATOM 0 H LEU A 668 -0.670 10.345 7.821 1.00 0.00 H new ATOM 0 HA LEU A 668 -1.082 12.003 10.169 1.00 0.00 H new ATOM 0 HB2 LEU A 668 -0.556 9.639 10.417 1.00 0.00 H new ATOM 0 HB3 LEU A 668 0.860 9.797 9.397 1.00 0.00 H new ATOM 0 HG LEU A 668 2.106 10.892 11.051 1.00 0.00 H new ATOM 0 HD11 LEU A 668 1.140 11.885 13.081 1.00 0.00 H new ATOM 0 HD12 LEU A 668 0.465 12.617 11.606 1.00 0.00 H new ATOM 0 HD13 LEU A 668 -0.489 11.430 12.527 1.00 0.00 H new ATOM 0 HD21 LEU A 668 1.861 9.513 13.077 1.00 0.00 H new ATOM 0 HD22 LEU A 668 0.259 8.978 12.516 1.00 0.00 H new ATOM 0 HD23 LEU A 668 1.717 8.536 11.597 1.00 0.00 H new ATOM 586 N PHE A 669 1.744 12.186 8.440 1.00 0.00 N ATOM 587 CA PHE A 669 2.847 13.079 8.097 1.00 0.00 C ATOM 588 C PHE A 669 2.317 14.378 7.502 1.00 0.00 C ATOM 589 O PHE A 669 2.976 15.416 7.559 1.00 0.00 O ATOM 590 CB PHE A 669 3.797 12.394 7.110 1.00 0.00 C ATOM 591 CG PHE A 669 5.199 12.246 7.629 1.00 0.00 C ATOM 592 CD1 PHE A 669 5.528 11.207 8.485 1.00 0.00 C ATOM 593 CD2 PHE A 669 6.187 13.145 7.261 1.00 0.00 C ATOM 594 CE1 PHE A 669 6.817 11.067 8.963 1.00 0.00 C ATOM 595 CE2 PHE A 669 7.477 13.010 7.737 1.00 0.00 C ATOM 596 CZ PHE A 669 7.793 11.970 8.589 1.00 0.00 C ATOM 0 H PHE A 669 1.814 11.253 8.034 1.00 0.00 H new ATOM 0 HA PHE A 669 3.397 13.314 9.008 1.00 0.00 H new ATOM 0 HB2 PHE A 669 3.403 11.408 6.865 1.00 0.00 H new ATOM 0 HB3 PHE A 669 3.820 12.967 6.183 1.00 0.00 H new ATOM 0 HD1 PHE A 669 4.769 10.499 8.782 1.00 0.00 H new ATOM 0 HD2 PHE A 669 5.946 13.960 6.595 1.00 0.00 H new ATOM 0 HE1 PHE A 669 7.061 10.252 9.628 1.00 0.00 H new ATOM 0 HE2 PHE A 669 8.238 13.718 7.443 1.00 0.00 H new ATOM 0 HZ PHE A 669 8.801 11.863 8.962 1.00 0.00 H new ATOM 606 N ALA A 670 1.118 14.307 6.937 1.00 0.00 N ATOM 607 CA ALA A 670 0.486 15.466 6.335 1.00 0.00 C ATOM 608 C ALA A 670 0.046 16.469 7.399 1.00 0.00 C ATOM 609 O ALA A 670 -0.117 17.653 7.111 1.00 0.00 O ATOM 610 CB ALA A 670 -0.700 15.031 5.483 1.00 0.00 C ATOM 0 H ALA A 670 0.564 13.452 6.885 1.00 0.00 H new ATOM 0 HA ALA A 670 1.217 15.961 5.695 1.00 0.00 H new ATOM 0 HB1 ALA A 670 -1.168 15.908 5.036 1.00 0.00 H new ATOM 0 HB2 ALA A 670 -0.356 14.361 4.695 1.00 0.00 H new ATOM 0 HB3 ALA A 670 -1.426 14.512 6.108 1.00 0.00 H new ATOM 616 N ILE A 671 -0.141 15.995 8.633 1.00 0.00 N ATOM 617 CA ILE A 671 -0.556 16.869 9.723 1.00 0.00 C ATOM 618 C ILE A 671 0.630 17.615 10.302 1.00 0.00 C ATOM 619 O ILE A 671 0.614 18.837 10.425 1.00 0.00 O ATOM 620 CB ILE A 671 -1.248 16.084 10.851 1.00 0.00 C ATOM 621 CG1 ILE A 671 -2.312 15.144 10.282 1.00 0.00 C ATOM 622 CG2 ILE A 671 -1.866 17.042 11.854 1.00 0.00 C ATOM 623 CD1 ILE A 671 -2.490 13.876 11.088 1.00 0.00 C ATOM 0 H ILE A 671 -0.012 15.018 8.897 1.00 0.00 H new ATOM 0 HA ILE A 671 -1.266 17.580 9.301 1.00 0.00 H new ATOM 0 HB ILE A 671 -0.498 15.479 11.361 1.00 0.00 H new ATOM 0 HG12 ILE A 671 -3.264 15.672 10.235 1.00 0.00 H new ATOM 0 HG13 ILE A 671 -2.043 14.880 9.259 1.00 0.00 H new ATOM 0 HG21 ILE A 671 -2.353 16.474 12.647 1.00 0.00 H new ATOM 0 HG22 ILE A 671 -1.087 17.671 12.284 1.00 0.00 H new ATOM 0 HG23 ILE A 671 -2.603 17.669 11.352 1.00 0.00 H new ATOM 0 HD11 ILE A 671 -3.260 13.257 10.627 1.00 0.00 H new ATOM 0 HD12 ILE A 671 -1.549 13.326 11.114 1.00 0.00 H new ATOM 0 HD13 ILE A 671 -2.790 14.130 12.105 1.00 0.00 H new ATOM 635 N ALA A 672 1.657 16.866 10.649 1.00 0.00 N ATOM 636 CA ALA A 672 2.871 17.430 11.213 1.00 0.00 C ATOM 637 C ALA A 672 3.382 18.604 10.389 1.00 0.00 C ATOM 638 O ALA A 672 3.962 19.550 10.919 1.00 0.00 O ATOM 639 CB ALA A 672 3.921 16.351 11.266 1.00 0.00 C ATOM 0 H ALA A 672 1.676 15.851 10.549 1.00 0.00 H new ATOM 0 HA ALA A 672 2.651 17.803 12.213 1.00 0.00 H new ATOM 0 HB1 ALA A 672 4.840 16.758 11.687 1.00 0.00 H new ATOM 0 HB2 ALA A 672 3.568 15.530 11.890 1.00 0.00 H new ATOM 0 HB3 ALA A 672 4.116 15.983 10.259 1.00 0.00 H new ATOM 645 N LYS A 673 3.172 18.524 9.086 1.00 0.00 N ATOM 646 CA LYS A 673 3.616 19.569 8.172 1.00 0.00 C ATOM 647 C LYS A 673 2.545 20.641 7.984 1.00 0.00 C ATOM 648 O LYS A 673 2.836 21.745 7.524 1.00 0.00 O ATOM 649 CB LYS A 673 4.007 18.972 6.815 1.00 0.00 C ATOM 650 CG LYS A 673 3.089 17.855 6.339 1.00 0.00 C ATOM 651 CD LYS A 673 2.230 18.301 5.166 1.00 0.00 C ATOM 652 CE LYS A 673 2.861 17.921 3.836 1.00 0.00 C ATOM 653 NZ LYS A 673 1.848 17.435 2.857 1.00 0.00 N ATOM 0 H LYS A 673 2.695 17.744 8.634 1.00 0.00 H new ATOM 0 HA LYS A 673 4.492 20.041 8.617 1.00 0.00 H new ATOM 0 HB2 LYS A 673 4.012 19.766 6.069 1.00 0.00 H new ATOM 0 HB3 LYS A 673 5.025 18.588 6.879 1.00 0.00 H new ATOM 0 HG2 LYS A 673 3.686 16.992 6.046 1.00 0.00 H new ATOM 0 HG3 LYS A 673 2.448 17.535 7.160 1.00 0.00 H new ATOM 0 HD2 LYS A 673 1.242 17.847 5.244 1.00 0.00 H new ATOM 0 HD3 LYS A 673 2.089 19.381 5.207 1.00 0.00 H new ATOM 0 HE2 LYS A 673 3.381 18.785 3.421 1.00 0.00 H new ATOM 0 HE3 LYS A 673 3.610 17.146 3.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 673 2.320 17.187 1.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 673 1.369 16.595 3.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 673 1.147 18.183 2.682 1.00 0.00 H new ATOM 667 N PHE A 674 1.306 20.312 8.337 1.00 0.00 N ATOM 668 CA PHE A 674 0.200 21.252 8.199 1.00 0.00 C ATOM 669 C PHE A 674 -0.076 21.982 9.509 1.00 0.00 C ATOM 670 O PHE A 674 -0.514 23.132 9.508 1.00 0.00 O ATOM 671 CB PHE A 674 -1.059 20.517 7.748 1.00 0.00 C ATOM 672 CG PHE A 674 -2.060 21.400 7.059 1.00 0.00 C ATOM 673 CD1 PHE A 674 -3.044 22.052 7.785 1.00 0.00 C ATOM 674 CD2 PHE A 674 -2.015 21.578 5.686 1.00 0.00 C ATOM 675 CE1 PHE A 674 -3.966 22.864 7.153 1.00 0.00 C ATOM 676 CE2 PHE A 674 -2.935 22.389 5.048 1.00 0.00 C ATOM 677 CZ PHE A 674 -3.911 23.033 5.783 1.00 0.00 C ATOM 0 H PHE A 674 1.044 19.404 8.720 1.00 0.00 H new ATOM 0 HA PHE A 674 0.482 21.990 7.449 1.00 0.00 H new ATOM 0 HB2 PHE A 674 -0.775 19.709 7.073 1.00 0.00 H new ATOM 0 HB3 PHE A 674 -1.531 20.057 8.616 1.00 0.00 H new ATOM 0 HD1 PHE A 674 -3.091 21.924 8.856 1.00 0.00 H new ATOM 0 HD2 PHE A 674 -1.253 21.078 5.107 1.00 0.00 H new ATOM 0 HE1 PHE A 674 -4.729 23.366 7.729 1.00 0.00 H new ATOM 0 HE2 PHE A 674 -2.891 22.519 3.977 1.00 0.00 H new ATOM 0 HZ PHE A 674 -4.630 23.668 5.287 1.00 0.00 H new ATOM 687 N VAL A 675 0.178 21.309 10.626 1.00 0.00 N ATOM 688 CA VAL A 675 -0.050 21.901 11.938 1.00 0.00 C ATOM 689 C VAL A 675 1.224 22.534 12.492 1.00 0.00 C ATOM 690 O VAL A 675 1.218 23.106 13.582 1.00 0.00 O ATOM 691 CB VAL A 675 -0.575 20.856 12.941 1.00 0.00 C ATOM 692 CG1 VAL A 675 -0.915 21.510 14.272 1.00 0.00 C ATOM 693 CG2 VAL A 675 -1.786 20.134 12.371 1.00 0.00 C ATOM 0 H VAL A 675 0.541 20.356 10.649 1.00 0.00 H new ATOM 0 HA VAL A 675 -0.804 22.677 11.806 1.00 0.00 H new ATOM 0 HB VAL A 675 0.212 20.122 13.116 1.00 0.00 H new ATOM 0 HG11 VAL A 675 -1.284 20.754 14.965 1.00 0.00 H new ATOM 0 HG12 VAL A 675 -0.022 21.977 14.686 1.00 0.00 H new ATOM 0 HG13 VAL A 675 -1.683 22.268 14.119 1.00 0.00 H new ATOM 0 HG21 VAL A 675 -2.144 19.399 13.092 1.00 0.00 H new ATOM 0 HG22 VAL A 675 -2.576 20.856 12.165 1.00 0.00 H new ATOM 0 HG23 VAL A 675 -1.506 19.629 11.447 1.00 0.00 H new ATOM 703 N PHE A 676 2.313 22.432 11.736 1.00 0.00 N ATOM 704 CA PHE A 676 3.588 23.000 12.158 1.00 0.00 C ATOM 705 C PHE A 676 4.278 23.706 10.995 1.00 0.00 C ATOM 706 O PHE A 676 4.217 23.180 9.864 1.00 0.00 O ATOM 707 CB PHE A 676 4.503 21.909 12.720 1.00 0.00 C ATOM 708 CG PHE A 676 3.838 21.020 13.733 1.00 0.00 C ATOM 709 CD1 PHE A 676 2.815 20.161 13.359 1.00 0.00 C ATOM 710 CD2 PHE A 676 4.240 21.038 15.059 1.00 0.00 C ATOM 711 CE1 PHE A 676 2.206 19.339 14.289 1.00 0.00 C ATOM 712 CE2 PHE A 676 3.635 20.219 15.993 1.00 0.00 C ATOM 713 CZ PHE A 676 2.617 19.369 15.608 1.00 0.00 C ATOM 714 OXT PHE A 676 4.873 24.780 11.225 1.00 0.00 O ATOM 0 H PHE A 676 2.338 21.963 10.831 1.00 0.00 H new ATOM 0 HA PHE A 676 3.387 23.731 12.941 1.00 0.00 H new ATOM 0 HB2 PHE A 676 4.869 21.295 11.897 1.00 0.00 H new ATOM 0 HB3 PHE A 676 5.373 22.379 13.179 1.00 0.00 H new ATOM 0 HD1 PHE A 676 2.490 20.134 12.329 1.00 0.00 H new ATOM 0 HD2 PHE A 676 5.036 21.700 15.366 1.00 0.00 H new ATOM 0 HE1 PHE A 676 1.411 18.675 13.985 1.00 0.00 H new ATOM 0 HE2 PHE A 676 3.958 20.244 17.023 1.00 0.00 H new ATOM 0 HZ PHE A 676 2.143 18.729 16.337 1.00 0.00 H new