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 150:sc= -1.63 USER MOD Single : A 633 LYS NZ :NH3+ -135:sc= 1.11 (180deg=-0.612) USER MOD Single : A 634 THR OG1 : rot 180:sc= -0.626 USER MOD Single : A 638 GLN : amide:sc= -0.0134 K(o=-0.013,f=-1.3) USER MOD Single : A 641 ASN : amide:sc= -0.158 X(o=-0.16,f=-0.041) USER MOD Single : A 643 ASN : amide:sc= -1.11 K(o=-1.1,f=-2.5) USER MOD Single : A 646 THR OG1 : rot -50:sc= 0.314 USER MOD Single : A 650 GLN : amide:sc= -0.606 X(o=-0.61,f=-0.16) 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 11.144 -16.848 5.637 1.00 0.00 N ATOM 2 CA GLY A 630 10.906 -17.594 4.371 1.00 0.00 C ATOM 3 C GLY A 630 11.935 -17.271 3.305 1.00 0.00 C ATOM 4 O GLY A 630 13.131 -17.483 3.504 1.00 0.00 O ATOM 0 HA2 GLY A 630 10.923 -18.665 4.575 1.00 0.00 H new ATOM 0 HA3 GLY A 630 9.911 -17.357 3.995 1.00 0.00 H new ATOM 10 N SER A 631 11.470 -16.758 2.171 1.00 0.00 N ATOM 11 CA SER A 631 12.360 -16.406 1.071 1.00 0.00 C ATOM 12 C SER A 631 12.480 -14.891 0.930 1.00 0.00 C ATOM 13 O SER A 631 13.577 -14.364 0.745 1.00 0.00 O ATOM 14 CB SER A 631 11.858 -17.020 -0.237 1.00 0.00 C ATOM 15 OG SER A 631 12.418 -16.359 -1.359 1.00 0.00 O ATOM 0 H SER A 631 10.483 -16.577 1.990 1.00 0.00 H new ATOM 0 HA SER A 631 13.349 -16.808 1.293 1.00 0.00 H new ATOM 0 HB2 SER A 631 12.116 -18.078 -0.268 1.00 0.00 H new ATOM 0 HB3 SER A 631 10.771 -16.956 -0.279 1.00 0.00 H new ATOM 0 HG SER A 631 12.500 -16.991 -2.104 1.00 0.00 H new ATOM 21 N ASP A 632 11.351 -14.194 1.024 1.00 0.00 N ATOM 22 CA ASP A 632 11.347 -12.741 0.912 1.00 0.00 C ATOM 23 C ASP A 632 10.395 -12.108 1.930 1.00 0.00 C ATOM 24 O ASP A 632 10.721 -12.004 3.113 1.00 0.00 O ATOM 25 CB ASP A 632 10.996 -12.309 -0.515 1.00 0.00 C ATOM 26 CG ASP A 632 11.019 -10.802 -0.685 1.00 0.00 C ATOM 27 OD1 ASP A 632 9.953 -10.171 -0.524 1.00 0.00 O ATOM 28 OD2 ASP A 632 12.101 -10.254 -0.980 1.00 0.00 O ATOM 0 H ASP A 632 10.432 -14.610 1.177 1.00 0.00 H new ATOM 0 HA ASP A 632 12.352 -12.384 1.137 1.00 0.00 H new ATOM 0 HB2 ASP A 632 11.701 -12.761 -1.212 1.00 0.00 H new ATOM 0 HB3 ASP A 632 10.006 -12.686 -0.773 1.00 0.00 H new ATOM 33 N LYS A 633 9.224 -11.684 1.467 1.00 0.00 N ATOM 34 CA LYS A 633 8.227 -11.058 2.333 1.00 0.00 C ATOM 35 C LYS A 633 7.979 -11.891 3.589 1.00 0.00 C ATOM 36 O LYS A 633 7.844 -11.351 4.686 1.00 0.00 O ATOM 37 CB LYS A 633 6.914 -10.862 1.573 1.00 0.00 C ATOM 38 CG LYS A 633 6.439 -12.110 0.845 1.00 0.00 C ATOM 39 CD LYS A 633 5.151 -11.853 0.080 1.00 0.00 C ATOM 40 CE LYS A 633 5.324 -10.749 -0.952 1.00 0.00 C ATOM 41 NZ LYS A 633 4.155 -10.658 -1.869 1.00 0.00 N ATOM 0 H LYS A 633 8.939 -11.763 0.491 1.00 0.00 H new ATOM 0 HA LYS A 633 8.616 -10.087 2.640 1.00 0.00 H new ATOM 0 HB2 LYS A 633 6.142 -10.545 2.274 1.00 0.00 H new ATOM 0 HB3 LYS A 633 7.039 -10.056 0.850 1.00 0.00 H new ATOM 0 HG2 LYS A 633 7.213 -12.446 0.154 1.00 0.00 H new ATOM 0 HG3 LYS A 633 6.282 -12.914 1.564 1.00 0.00 H new ATOM 0 HD2 LYS A 633 4.833 -12.770 -0.417 1.00 0.00 H new ATOM 0 HD3 LYS A 633 4.361 -11.578 0.779 1.00 0.00 H new ATOM 0 HE2 LYS A 633 5.461 -9.795 -0.443 1.00 0.00 H new ATOM 0 HE3 LYS A 633 6.228 -10.934 -1.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 633 4.489 -10.562 -2.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 633 3.578 -11.519 -1.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 633 3.580 -9.829 -1.617 1.00 0.00 H new ATOM 55 N THR A 634 7.927 -13.208 3.420 1.00 0.00 N ATOM 56 CA THR A 634 7.702 -14.111 4.549 1.00 0.00 C ATOM 57 C THR A 634 7.839 -15.570 4.145 1.00 0.00 C ATOM 58 O THR A 634 8.146 -16.433 4.966 1.00 0.00 O ATOM 59 CB THR A 634 6.329 -13.860 5.180 1.00 0.00 C ATOM 60 OG1 THR A 634 5.574 -12.952 4.398 1.00 0.00 O ATOM 61 CG2 THR A 634 6.412 -13.297 6.583 1.00 0.00 C ATOM 0 H THR A 634 8.036 -13.674 2.519 1.00 0.00 H new ATOM 0 HA THR A 634 8.474 -13.900 5.289 1.00 0.00 H new ATOM 0 HB THR A 634 5.848 -14.837 5.223 1.00 0.00 H new ATOM 0 HG1 THR A 634 4.700 -12.807 4.818 1.00 0.00 H new ATOM 0 HG21 THR A 634 5.406 -13.142 6.973 1.00 0.00 H new ATOM 0 HG22 THR A 634 6.946 -13.997 7.225 1.00 0.00 H new ATOM 0 HG23 THR A 634 6.944 -12.346 6.562 1.00 0.00 H new ATOM 69 N LEU A 635 7.625 -15.820 2.876 1.00 0.00 N ATOM 70 CA LEU A 635 7.730 -17.161 2.313 1.00 0.00 C ATOM 71 C LEU A 635 7.354 -17.177 0.836 1.00 0.00 C ATOM 72 O LEU A 635 8.161 -17.562 -0.010 1.00 0.00 O ATOM 73 CB LEU A 635 6.870 -18.162 3.090 1.00 0.00 C ATOM 74 CG LEU A 635 6.842 -19.580 2.507 1.00 0.00 C ATOM 75 CD1 LEU A 635 5.836 -19.673 1.371 1.00 0.00 C ATOM 76 CD2 LEU A 635 8.230 -19.993 2.026 1.00 0.00 C ATOM 0 H LEU A 635 7.372 -15.103 2.196 1.00 0.00 H new ATOM 0 HA LEU A 635 8.773 -17.464 2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 635 7.236 -18.214 4.115 1.00 0.00 H new ATOM 0 HB3 LEU A 635 5.849 -17.783 3.135 1.00 0.00 H new ATOM 0 HG LEU A 635 6.534 -20.266 3.296 1.00 0.00 H new ATOM 0 HD11 LEU A 635 5.832 -20.687 0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 635 4.842 -19.426 1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 635 6.112 -18.973 0.582 1.00 0.00 H new ATOM 0 HD21 LEU A 635 8.188 -21.002 1.616 1.00 0.00 H new ATOM 0 HD22 LEU A 635 8.568 -19.302 1.254 1.00 0.00 H new ATOM 0 HD23 LEU A 635 8.927 -19.971 2.864 1.00 0.00 H new ATOM 88 N PRO A 636 6.128 -16.756 0.497 1.00 0.00 N ATOM 89 CA PRO A 636 5.676 -16.728 -0.892 1.00 0.00 C ATOM 90 C PRO A 636 6.646 -15.946 -1.768 1.00 0.00 C ATOM 91 O PRO A 636 6.690 -16.132 -2.984 1.00 0.00 O ATOM 92 CB PRO A 636 4.304 -16.043 -0.839 1.00 0.00 C ATOM 93 CG PRO A 636 4.159 -15.502 0.548 1.00 0.00 C ATOM 94 CD PRO A 636 5.105 -16.272 1.427 1.00 0.00 C ATOM 0 HA PRO A 636 5.621 -17.726 -1.327 1.00 0.00 H new ATOM 0 HB2 PRO A 636 4.240 -15.243 -1.577 1.00 0.00 H new ATOM 0 HB3 PRO A 636 3.507 -16.751 -1.066 1.00 0.00 H new ATOM 0 HG2 PRO A 636 4.392 -14.437 0.572 1.00 0.00 H new ATOM 0 HG3 PRO A 636 3.133 -15.612 0.898 1.00 0.00 H new ATOM 0 HD2 PRO A 636 5.536 -15.639 2.202 1.00 0.00 H new ATOM 0 HD3 PRO A 636 4.601 -17.096 1.932 1.00 0.00 H new ATOM 102 N ASP A 637 7.436 -15.085 -1.120 1.00 0.00 N ATOM 103 CA ASP A 637 8.442 -14.262 -1.789 1.00 0.00 C ATOM 104 C ASP A 637 8.114 -14.009 -3.260 1.00 0.00 C ATOM 105 O ASP A 637 8.874 -14.379 -4.155 1.00 0.00 O ATOM 106 CB ASP A 637 9.815 -14.917 -1.647 1.00 0.00 C ATOM 107 CG ASP A 637 9.959 -16.170 -2.491 1.00 0.00 C ATOM 108 OD1 ASP A 637 10.799 -16.170 -3.415 1.00 0.00 O ATOM 109 OD2 ASP A 637 9.233 -17.151 -2.226 1.00 0.00 O ATOM 0 H ASP A 637 7.394 -14.940 -0.111 1.00 0.00 H new ATOM 0 HA ASP A 637 8.447 -13.287 -1.303 1.00 0.00 H new ATOM 0 HB2 ASP A 637 10.585 -14.201 -1.933 1.00 0.00 H new ATOM 0 HB3 ASP A 637 9.986 -15.168 -0.600 1.00 0.00 H new ATOM 114 N GLN A 638 6.976 -13.366 -3.487 1.00 0.00 N ATOM 115 CA GLN A 638 6.511 -13.037 -4.836 1.00 0.00 C ATOM 116 C GLN A 638 6.794 -14.169 -5.824 1.00 0.00 C ATOM 117 O GLN A 638 7.630 -14.035 -6.717 1.00 0.00 O ATOM 118 CB GLN A 638 7.164 -11.740 -5.322 1.00 0.00 C ATOM 119 CG GLN A 638 8.684 -11.767 -5.288 1.00 0.00 C ATOM 120 CD GLN A 638 9.304 -10.721 -6.194 1.00 0.00 C ATOM 121 OE1 GLN A 638 8.604 -9.892 -6.775 1.00 0.00 O ATOM 122 NE2 GLN A 638 10.626 -10.755 -6.319 1.00 0.00 N ATOM 0 H GLN A 638 6.348 -13.057 -2.746 1.00 0.00 H new ATOM 0 HA GLN A 638 5.431 -12.900 -4.787 1.00 0.00 H new ATOM 0 HB2 GLN A 638 6.836 -11.539 -6.342 1.00 0.00 H new ATOM 0 HB3 GLN A 638 6.811 -10.913 -4.705 1.00 0.00 H new ATOM 0 HG2 GLN A 638 9.024 -11.605 -4.265 1.00 0.00 H new ATOM 0 HG3 GLN A 638 9.033 -12.755 -5.587 1.00 0.00 H new ATOM 0 HE21 GLN A 638 11.168 -11.460 -5.819 1.00 0.00 H new ATOM 0 HE22 GLN A 638 11.100 -10.076 -6.915 1.00 0.00 H new ATOM 131 N GLY A 639 6.090 -15.283 -5.655 1.00 0.00 N ATOM 132 CA GLY A 639 6.280 -16.420 -6.537 1.00 0.00 C ATOM 133 C GLY A 639 4.994 -16.849 -7.214 1.00 0.00 C ATOM 134 O GLY A 639 4.956 -17.038 -8.430 1.00 0.00 O ATOM 0 H GLY A 639 5.392 -15.419 -4.924 1.00 0.00 H new ATOM 0 HA2 GLY A 639 7.020 -16.167 -7.296 1.00 0.00 H new ATOM 0 HA3 GLY A 639 6.683 -17.256 -5.965 1.00 0.00 H new ATOM 138 N ASP A 640 3.937 -17.005 -6.424 1.00 0.00 N ATOM 139 CA ASP A 640 2.643 -17.417 -6.954 1.00 0.00 C ATOM 140 C ASP A 640 1.716 -16.217 -7.124 1.00 0.00 C ATOM 141 O ASP A 640 0.858 -15.958 -6.279 1.00 0.00 O ATOM 142 CB ASP A 640 1.995 -18.451 -6.030 1.00 0.00 C ATOM 143 CG ASP A 640 2.945 -19.575 -5.666 1.00 0.00 C ATOM 144 OD1 ASP A 640 3.857 -19.865 -6.468 1.00 0.00 O ATOM 145 OD2 ASP A 640 2.777 -20.165 -4.578 1.00 0.00 O ATOM 0 H ASP A 640 3.951 -16.852 -5.416 1.00 0.00 H new ATOM 0 HA ASP A 640 2.807 -17.867 -7.933 1.00 0.00 H new ATOM 0 HB2 ASP A 640 1.654 -17.958 -5.120 1.00 0.00 H new ATOM 0 HB3 ASP A 640 1.113 -18.867 -6.517 1.00 0.00 H new ATOM 150 N ASN A 641 1.894 -15.490 -8.222 1.00 0.00 N ATOM 151 CA ASN A 641 1.072 -14.318 -8.505 1.00 0.00 C ATOM 152 C ASN A 641 1.204 -13.278 -7.397 1.00 0.00 C ATOM 153 O ASN A 641 0.415 -13.259 -6.453 1.00 0.00 O ATOM 154 CB ASN A 641 -0.394 -14.728 -8.670 1.00 0.00 C ATOM 155 CG ASN A 641 -0.930 -14.416 -10.054 1.00 0.00 C ATOM 156 OD1 ASN A 641 -1.560 -15.259 -10.692 1.00 0.00 O ATOM 157 ND2 ASN A 641 -0.680 -13.200 -10.525 1.00 0.00 N ATOM 0 H ASN A 641 2.600 -15.691 -8.930 1.00 0.00 H new ATOM 0 HA ASN A 641 1.424 -13.872 -9.435 1.00 0.00 H new ATOM 0 HB2 ASN A 641 -0.493 -15.796 -8.477 1.00 0.00 H new ATOM 0 HB3 ASN A 641 -0.999 -14.212 -7.924 1.00 0.00 H new ATOM 0 HD21 ASN A 641 -1.015 -12.933 -11.451 1.00 0.00 H new ATOM 0 HD22 ASN A 641 -0.153 -12.533 -9.961 1.00 0.00 H new ATOM 164 N ASP A 642 2.207 -12.413 -7.520 1.00 0.00 N ATOM 165 CA ASP A 642 2.444 -11.369 -6.529 1.00 0.00 C ATOM 166 C ASP A 642 1.311 -10.346 -6.529 1.00 0.00 C ATOM 167 O ASP A 642 1.032 -9.715 -5.510 1.00 0.00 O ATOM 168 CB ASP A 642 3.776 -10.668 -6.806 1.00 0.00 C ATOM 169 CG ASP A 642 4.401 -10.096 -5.548 1.00 0.00 C ATOM 170 OD1 ASP A 642 5.359 -9.303 -5.670 1.00 0.00 O ATOM 171 OD2 ASP A 642 3.934 -10.440 -4.442 1.00 0.00 O ATOM 0 H ASP A 642 2.868 -12.415 -8.296 1.00 0.00 H new ATOM 0 HA ASP A 642 2.483 -11.840 -5.547 1.00 0.00 H new ATOM 0 HB2 ASP A 642 4.468 -11.376 -7.263 1.00 0.00 H new ATOM 0 HB3 ASP A 642 3.618 -9.866 -7.527 1.00 0.00 H new ATOM 176 N ASN A 643 0.662 -10.188 -7.677 1.00 0.00 N ATOM 177 CA ASN A 643 -0.441 -9.242 -7.814 1.00 0.00 C ATOM 178 C ASN A 643 -1.553 -9.524 -6.804 1.00 0.00 C ATOM 179 O ASN A 643 -2.372 -8.651 -6.516 1.00 0.00 O ATOM 180 CB ASN A 643 -1.006 -9.299 -9.232 1.00 0.00 C ATOM 181 CG ASN A 643 -0.076 -8.672 -10.252 1.00 0.00 C ATOM 182 OD1 ASN A 643 1.107 -8.461 -9.984 1.00 0.00 O ATOM 183 ND2 ASN A 643 -0.609 -8.370 -11.431 1.00 0.00 N ATOM 0 H ASN A 643 0.881 -10.704 -8.529 1.00 0.00 H new ATOM 0 HA ASN A 643 -0.049 -8.245 -7.615 1.00 0.00 H new ATOM 0 HB2 ASN A 643 -1.192 -10.338 -9.504 1.00 0.00 H new ATOM 0 HB3 ASN A 643 -1.967 -8.786 -9.258 1.00 0.00 H new ATOM 0 HD21 ASN A 643 -0.033 -7.946 -12.158 1.00 0.00 H new ATOM 0 HD22 ASN A 643 -1.595 -8.563 -11.609 1.00 0.00 H new ATOM 190 N TRP A 644 -1.584 -10.744 -6.272 1.00 0.00 N ATOM 191 CA TRP A 644 -2.605 -11.131 -5.301 1.00 0.00 C ATOM 192 C TRP A 644 -2.743 -10.084 -4.196 1.00 0.00 C ATOM 193 O TRP A 644 -3.821 -9.902 -3.631 1.00 0.00 O ATOM 194 CB TRP A 644 -2.272 -12.499 -4.694 1.00 0.00 C ATOM 195 CG TRP A 644 -1.192 -12.450 -3.654 1.00 0.00 C ATOM 196 CD1 TRP A 644 0.110 -12.090 -3.841 1.00 0.00 C ATOM 197 CD2 TRP A 644 -1.325 -12.770 -2.264 1.00 0.00 C ATOM 198 NE1 TRP A 644 0.797 -12.164 -2.654 1.00 0.00 N ATOM 199 CE2 TRP A 644 -0.062 -12.581 -1.670 1.00 0.00 C ATOM 200 CE3 TRP A 644 -2.388 -13.197 -1.464 1.00 0.00 C ATOM 201 CZ2 TRP A 644 0.164 -12.804 -0.315 1.00 0.00 C ATOM 202 CZ3 TRP A 644 -2.162 -13.419 -0.119 1.00 0.00 C ATOM 203 CH2 TRP A 644 -0.895 -13.222 0.444 1.00 0.00 C ATOM 0 H TRP A 644 -0.915 -11.481 -6.496 1.00 0.00 H new ATOM 0 HA TRP A 644 -3.558 -11.198 -5.825 1.00 0.00 H new ATOM 0 HB2 TRP A 644 -3.174 -12.918 -4.249 1.00 0.00 H new ATOM 0 HB3 TRP A 644 -1.966 -13.176 -5.492 1.00 0.00 H new ATOM 0 HD1 TRP A 644 0.539 -11.790 -4.786 1.00 0.00 H new ATOM 0 HE1 TRP A 644 1.785 -11.945 -2.525 1.00 0.00 H new ATOM 0 HE3 TRP A 644 -3.369 -13.351 -1.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 644 1.140 -12.653 0.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 644 -2.976 -13.750 0.509 1.00 0.00 H new ATOM 0 HH2 TRP A 644 -0.751 -13.404 1.499 1.00 0.00 H new ATOM 214 N TRP A 645 -1.644 -9.399 -3.896 1.00 0.00 N ATOM 215 CA TRP A 645 -1.643 -8.372 -2.861 1.00 0.00 C ATOM 216 C TRP A 645 -0.718 -7.214 -3.234 1.00 0.00 C ATOM 217 O TRP A 645 -0.284 -6.454 -2.368 1.00 0.00 O ATOM 218 CB TRP A 645 -1.214 -8.973 -1.520 1.00 0.00 C ATOM 219 CG TRP A 645 -2.320 -9.026 -0.511 1.00 0.00 C ATOM 220 CD1 TRP A 645 -3.483 -9.735 -0.604 1.00 0.00 C ATOM 221 CD2 TRP A 645 -2.368 -8.339 0.745 1.00 0.00 C ATOM 222 NE1 TRP A 645 -4.251 -9.531 0.518 1.00 0.00 N ATOM 223 CE2 TRP A 645 -3.588 -8.678 1.360 1.00 0.00 C ATOM 224 CE3 TRP A 645 -1.497 -7.470 1.408 1.00 0.00 C ATOM 225 CZ2 TRP A 645 -3.957 -8.178 2.607 1.00 0.00 C ATOM 226 CZ3 TRP A 645 -1.865 -6.975 2.645 1.00 0.00 C ATOM 227 CH2 TRP A 645 -3.085 -7.331 3.234 1.00 0.00 C ATOM 0 H TRP A 645 -0.743 -9.537 -4.355 1.00 0.00 H new ATOM 0 HA TRP A 645 -2.657 -7.983 -2.772 1.00 0.00 H new ATOM 0 HB2 TRP A 645 -0.836 -9.982 -1.687 1.00 0.00 H new ATOM 0 HB3 TRP A 645 -0.390 -8.386 -1.114 1.00 0.00 H new ATOM 0 HD1 TRP A 645 -3.759 -10.364 -1.437 1.00 0.00 H new ATOM 0 HE1 TRP A 645 -5.165 -9.947 0.695 1.00 0.00 H new ATOM 0 HE3 TRP A 645 -0.554 -7.190 0.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 645 -4.898 -8.449 3.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 645 -1.200 -6.302 3.166 1.00 0.00 H new ATOM 0 HH2 TRP A 645 -3.342 -6.929 4.203 1.00 0.00 H new ATOM 238 N THR A 646 -0.421 -7.081 -4.524 1.00 0.00 N ATOM 239 CA THR A 646 0.452 -6.012 -4.997 1.00 0.00 C ATOM 240 C THR A 646 0.267 -5.772 -6.494 1.00 0.00 C ATOM 241 O THR A 646 1.189 -5.328 -7.179 1.00 0.00 O ATOM 242 CB THR A 646 1.916 -6.346 -4.692 1.00 0.00 C ATOM 243 OG1 THR A 646 2.730 -5.195 -4.831 1.00 0.00 O ATOM 244 CG2 THR A 646 2.492 -7.425 -5.586 1.00 0.00 C ATOM 0 H THR A 646 -0.771 -7.698 -5.257 1.00 0.00 H new ATOM 0 HA THR A 646 0.180 -5.097 -4.470 1.00 0.00 H new ATOM 0 HB THR A 646 1.917 -6.714 -3.666 1.00 0.00 H new ATOM 0 HG1 THR A 646 2.543 -4.764 -5.691 1.00 0.00 H new ATOM 0 HG21 THR A 646 3.531 -7.608 -5.312 1.00 0.00 H new ATOM 0 HG22 THR A 646 1.917 -8.343 -5.465 1.00 0.00 H new ATOM 0 HG23 THR A 646 2.443 -7.101 -6.626 1.00 0.00 H new ATOM 252 N GLY A 647 -0.927 -6.069 -6.997 1.00 0.00 N ATOM 253 CA GLY A 647 -1.204 -5.877 -8.408 1.00 0.00 C ATOM 254 C GLY A 647 -2.606 -5.361 -8.659 1.00 0.00 C ATOM 255 O GLY A 647 -2.925 -4.220 -8.325 1.00 0.00 O ATOM 0 H GLY A 647 -1.707 -6.439 -6.453 1.00 0.00 H new ATOM 0 HA2 GLY A 647 -0.482 -5.175 -8.824 1.00 0.00 H new ATOM 0 HA3 GLY A 647 -1.069 -6.822 -8.933 1.00 0.00 H new ATOM 259 N TRP A 648 -3.447 -6.204 -9.250 1.00 0.00 N ATOM 260 CA TRP A 648 -4.825 -5.828 -9.547 1.00 0.00 C ATOM 261 C TRP A 648 -5.568 -5.415 -8.279 1.00 0.00 C ATOM 262 O TRP A 648 -6.559 -4.688 -8.340 1.00 0.00 O ATOM 263 CB TRP A 648 -5.556 -6.989 -10.225 1.00 0.00 C ATOM 264 CG TRP A 648 -5.515 -8.261 -9.434 1.00 0.00 C ATOM 265 CD1 TRP A 648 -4.556 -9.231 -9.490 1.00 0.00 C ATOM 266 CD2 TRP A 648 -6.477 -8.702 -8.469 1.00 0.00 C ATOM 267 NE1 TRP A 648 -4.862 -10.247 -8.618 1.00 0.00 N ATOM 268 CE2 TRP A 648 -6.036 -9.946 -7.980 1.00 0.00 C ATOM 269 CE3 TRP A 648 -7.667 -8.165 -7.970 1.00 0.00 C ATOM 270 CZ2 TRP A 648 -6.745 -10.660 -7.017 1.00 0.00 C ATOM 271 CZ3 TRP A 648 -8.369 -8.875 -7.015 1.00 0.00 C ATOM 272 CH2 TRP A 648 -7.906 -10.111 -6.546 1.00 0.00 C ATOM 0 H TRP A 648 -3.198 -7.152 -9.533 1.00 0.00 H new ATOM 0 HA TRP A 648 -4.802 -4.974 -10.224 1.00 0.00 H new ATOM 0 HB2 TRP A 648 -6.596 -6.707 -10.391 1.00 0.00 H new ATOM 0 HB3 TRP A 648 -5.113 -7.165 -11.205 1.00 0.00 H new ATOM 0 HD1 TRP A 648 -3.684 -9.203 -10.127 1.00 0.00 H new ATOM 0 HE1 TRP A 648 -4.305 -11.089 -8.470 1.00 0.00 H new ATOM 0 HE3 TRP A 648 -8.031 -7.212 -8.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 648 -6.391 -11.614 -6.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 648 -9.290 -8.470 -6.623 1.00 0.00 H new ATOM 0 HH2 TRP A 648 -8.477 -10.641 -5.798 1.00 0.00 H new ATOM 283 N ARG A 649 -5.078 -5.871 -7.130 1.00 0.00 N ATOM 284 CA ARG A 649 -5.686 -5.539 -5.851 1.00 0.00 C ATOM 285 C ARG A 649 -5.129 -4.222 -5.331 1.00 0.00 C ATOM 286 O ARG A 649 -5.733 -3.569 -4.480 1.00 0.00 O ATOM 287 CB ARG A 649 -5.425 -6.656 -4.838 1.00 0.00 C ATOM 288 CG ARG A 649 -6.001 -6.382 -3.458 1.00 0.00 C ATOM 289 CD ARG A 649 -5.420 -7.326 -2.417 1.00 0.00 C ATOM 290 NE ARG A 649 -6.376 -7.622 -1.352 1.00 0.00 N ATOM 291 CZ ARG A 649 -6.606 -6.818 -0.316 1.00 0.00 C ATOM 292 NH1 ARG A 649 -5.958 -5.665 -0.204 1.00 0.00 N ATOM 293 NH2 ARG A 649 -7.488 -7.169 0.611 1.00 0.00 N ATOM 0 H ARG A 649 -4.258 -6.474 -7.061 1.00 0.00 H new ATOM 0 HA ARG A 649 -6.762 -5.435 -5.991 1.00 0.00 H new ATOM 0 HB2 ARG A 649 -5.848 -7.585 -5.220 1.00 0.00 H new ATOM 0 HB3 ARG A 649 -4.349 -6.808 -4.749 1.00 0.00 H new ATOM 0 HG2 ARG A 649 -5.792 -5.351 -3.173 1.00 0.00 H new ATOM 0 HG3 ARG A 649 -7.085 -6.492 -3.486 1.00 0.00 H new ATOM 0 HD2 ARG A 649 -5.116 -8.255 -2.900 1.00 0.00 H new ATOM 0 HD3 ARG A 649 -4.523 -6.882 -1.986 1.00 0.00 H new ATOM 0 HE ARG A 649 -6.898 -8.497 -1.406 1.00 0.00 H new ATOM 0 HH11 ARG A 649 -5.279 -5.390 -0.914 1.00 0.00 H new ATOM 0 HH12 ARG A 649 -6.139 -5.054 0.592 1.00 0.00 H new ATOM 0 HH21 ARG A 649 -7.989 -8.054 0.529 1.00 0.00 H new ATOM 0 HH22 ARG A 649 -7.665 -6.554 1.405 1.00 0.00 H new ATOM 307 N GLN A 650 -3.966 -3.842 -5.849 1.00 0.00 N ATOM 308 CA GLN A 650 -3.318 -2.611 -5.440 1.00 0.00 C ATOM 309 C GLN A 650 -4.060 -1.395 -5.984 1.00 0.00 C ATOM 310 O GLN A 650 -3.967 -0.300 -5.431 1.00 0.00 O ATOM 311 CB GLN A 650 -1.864 -2.594 -5.916 1.00 0.00 C ATOM 312 CG GLN A 650 -0.852 -2.530 -4.784 1.00 0.00 C ATOM 313 CD GLN A 650 -0.286 -1.138 -4.584 1.00 0.00 C ATOM 314 OE1 GLN A 650 0.907 -0.971 -4.329 1.00 0.00 O ATOM 315 NE2 GLN A 650 -1.141 -0.128 -4.700 1.00 0.00 N ATOM 0 H GLN A 650 -3.455 -4.373 -6.554 1.00 0.00 H new ATOM 0 HA GLN A 650 -3.337 -2.565 -4.351 1.00 0.00 H new ATOM 0 HB2 GLN A 650 -1.675 -3.488 -6.511 1.00 0.00 H new ATOM 0 HB3 GLN A 650 -1.716 -1.737 -6.573 1.00 0.00 H new ATOM 0 HG2 GLN A 650 -1.325 -2.862 -3.860 1.00 0.00 H new ATOM 0 HG3 GLN A 650 -0.037 -3.223 -4.991 1.00 0.00 H new ATOM 0 HE21 GLN A 650 -2.122 -0.312 -4.912 1.00 0.00 H new ATOM 0 HE22 GLN A 650 -0.817 0.831 -4.577 1.00 0.00 H new ATOM 324 N TRP A 651 -4.790 -1.595 -7.077 1.00 0.00 N ATOM 325 CA TRP A 651 -5.542 -0.517 -7.703 1.00 0.00 C ATOM 326 C TRP A 651 -6.552 -1.072 -8.700 1.00 0.00 C ATOM 327 O TRP A 651 -6.481 -0.789 -9.897 1.00 0.00 O ATOM 328 CB TRP A 651 -4.586 0.452 -8.403 1.00 0.00 C ATOM 329 CG TRP A 651 -3.673 -0.216 -9.387 1.00 0.00 C ATOM 330 CD1 TRP A 651 -2.872 -1.298 -9.159 1.00 0.00 C ATOM 331 CD2 TRP A 651 -3.465 0.158 -10.754 1.00 0.00 C ATOM 332 NE1 TRP A 651 -2.181 -1.622 -10.301 1.00 0.00 N ATOM 333 CE2 TRP A 651 -2.528 -0.743 -11.294 1.00 0.00 C ATOM 334 CE3 TRP A 651 -3.981 1.165 -11.575 1.00 0.00 C ATOM 335 CZ2 TRP A 651 -2.097 -0.666 -12.617 1.00 0.00 C ATOM 336 CZ3 TRP A 651 -3.552 1.241 -12.887 1.00 0.00 C ATOM 337 CH2 TRP A 651 -2.619 0.330 -13.396 1.00 0.00 C ATOM 0 H TRP A 651 -4.876 -2.496 -7.547 1.00 0.00 H new ATOM 0 HA TRP A 651 -6.087 0.020 -6.927 1.00 0.00 H new ATOM 0 HB2 TRP A 651 -5.168 1.215 -8.920 1.00 0.00 H new ATOM 0 HB3 TRP A 651 -3.985 0.964 -7.651 1.00 0.00 H new ATOM 0 HD1 TRP A 651 -2.793 -1.822 -8.218 1.00 0.00 H new ATOM 0 HE1 TRP A 651 -1.518 -2.391 -10.395 1.00 0.00 H new ATOM 0 HE3 TRP A 651 -4.702 1.871 -11.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 651 -1.377 -1.367 -13.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 651 -3.943 2.016 -13.530 1.00 0.00 H new ATOM 0 HH2 TRP A 651 -2.305 0.415 -14.426 1.00 0.00 H new ATOM 348 N ILE A 652 -7.491 -1.869 -8.200 1.00 0.00 N ATOM 349 CA ILE A 652 -8.513 -2.466 -9.053 1.00 0.00 C ATOM 350 C ILE A 652 -9.466 -1.416 -9.637 1.00 0.00 C ATOM 351 O ILE A 652 -9.937 -1.571 -10.764 1.00 0.00 O ATOM 352 CB ILE A 652 -9.327 -3.555 -8.311 1.00 0.00 C ATOM 353 CG1 ILE A 652 -10.150 -4.371 -9.311 1.00 0.00 C ATOM 354 CG2 ILE A 652 -10.233 -2.950 -7.247 1.00 0.00 C ATOM 355 CD1 ILE A 652 -9.466 -5.643 -9.761 1.00 0.00 C ATOM 0 H ILE A 652 -7.566 -2.116 -7.213 1.00 0.00 H new ATOM 0 HA ILE A 652 -7.975 -2.937 -9.876 1.00 0.00 H new ATOM 0 HB ILE A 652 -8.621 -4.215 -7.807 1.00 0.00 H new ATOM 0 HG12 ILE A 652 -11.109 -4.624 -8.859 1.00 0.00 H new ATOM 0 HG13 ILE A 652 -10.362 -3.754 -10.184 1.00 0.00 H new ATOM 0 HG21 ILE A 652 -10.788 -3.744 -6.748 1.00 0.00 H new ATOM 0 HG22 ILE A 652 -9.628 -2.415 -6.515 1.00 0.00 H new ATOM 0 HG23 ILE A 652 -10.932 -2.258 -7.716 1.00 0.00 H new ATOM 0 HD11 ILE A 652 -10.107 -6.170 -10.468 1.00 0.00 H new ATOM 0 HD12 ILE A 652 -8.520 -5.396 -10.242 1.00 0.00 H new ATOM 0 HD13 ILE A 652 -9.278 -6.280 -8.897 1.00 0.00 H new ATOM 367 N PRO A 653 -9.772 -0.330 -8.893 1.00 0.00 N ATOM 368 CA PRO A 653 -10.667 0.715 -9.361 1.00 0.00 C ATOM 369 C PRO A 653 -9.917 1.876 -10.011 1.00 0.00 C ATOM 370 O PRO A 653 -9.935 2.033 -11.232 1.00 0.00 O ATOM 371 CB PRO A 653 -11.354 1.168 -8.069 1.00 0.00 C ATOM 372 CG PRO A 653 -10.437 0.767 -6.945 1.00 0.00 C ATOM 373 CD PRO A 653 -9.293 -0.019 -7.544 1.00 0.00 C ATOM 0 HA PRO A 653 -11.353 0.364 -10.132 1.00 0.00 H new ATOM 0 HB2 PRO A 653 -11.518 2.246 -8.072 1.00 0.00 H new ATOM 0 HB3 PRO A 653 -12.331 0.697 -7.962 1.00 0.00 H new ATOM 0 HG2 PRO A 653 -10.064 1.648 -6.423 1.00 0.00 H new ATOM 0 HG3 PRO A 653 -10.972 0.164 -6.211 1.00 0.00 H new ATOM 0 HD2 PRO A 653 -8.372 0.564 -7.568 1.00 0.00 H new ATOM 0 HD3 PRO A 653 -9.083 -0.923 -6.973 1.00 0.00 H new ATOM 381 N ALA A 654 -9.259 2.687 -9.184 1.00 0.00 N ATOM 382 CA ALA A 654 -8.498 3.837 -9.661 1.00 0.00 C ATOM 383 C ALA A 654 -8.119 4.742 -8.499 1.00 0.00 C ATOM 384 O ALA A 654 -8.768 5.758 -8.248 1.00 0.00 O ATOM 385 CB ALA A 654 -9.285 4.621 -10.697 1.00 0.00 C ATOM 0 H ALA A 654 -9.239 2.566 -8.171 1.00 0.00 H new ATOM 0 HA ALA A 654 -7.588 3.465 -10.132 1.00 0.00 H new ATOM 0 HB1 ALA A 654 -8.694 5.472 -11.035 1.00 0.00 H new ATOM 0 HB2 ALA A 654 -9.512 3.976 -11.546 1.00 0.00 H new ATOM 0 HB3 ALA A 654 -10.215 4.978 -10.254 1.00 0.00 H new ATOM 391 N GLY A 655 -7.069 4.360 -7.789 1.00 0.00 N ATOM 392 CA GLY A 655 -6.617 5.138 -6.652 1.00 0.00 C ATOM 393 C GLY A 655 -7.011 4.509 -5.329 1.00 0.00 C ATOM 394 O GLY A 655 -7.489 5.195 -4.426 1.00 0.00 O ATOM 0 H GLY A 655 -6.519 3.522 -7.980 1.00 0.00 H new ATOM 0 HA2 GLY A 655 -5.533 5.241 -6.694 1.00 0.00 H new ATOM 0 HA3 GLY A 655 -7.036 6.143 -6.713 1.00 0.00 H new ATOM 398 N ILE A 656 -6.809 3.200 -5.218 1.00 0.00 N ATOM 399 CA ILE A 656 -7.144 2.472 -3.999 1.00 0.00 C ATOM 400 C ILE A 656 -5.887 2.173 -3.181 1.00 0.00 C ATOM 401 O ILE A 656 -5.917 2.167 -1.951 1.00 0.00 O ATOM 402 CB ILE A 656 -7.867 1.149 -4.321 1.00 0.00 C ATOM 403 CG1 ILE A 656 -8.830 0.773 -3.198 1.00 0.00 C ATOM 404 CG2 ILE A 656 -6.856 0.039 -4.536 1.00 0.00 C ATOM 405 CD1 ILE A 656 -10.148 1.514 -3.252 1.00 0.00 C ATOM 0 H ILE A 656 -6.414 2.621 -5.959 1.00 0.00 H new ATOM 0 HA ILE A 656 -7.811 3.107 -3.416 1.00 0.00 H new ATOM 0 HB ILE A 656 -8.442 1.286 -5.237 1.00 0.00 H new ATOM 0 HG12 ILE A 656 -9.024 -0.299 -3.242 1.00 0.00 H new ATOM 0 HG13 ILE A 656 -8.351 0.971 -2.239 1.00 0.00 H new ATOM 0 HG21 ILE A 656 -7.379 -0.890 -4.763 1.00 0.00 H new ATOM 0 HG22 ILE A 656 -6.201 0.299 -5.368 1.00 0.00 H new ATOM 0 HG23 ILE A 656 -6.260 -0.091 -3.632 1.00 0.00 H new ATOM 0 HD11 ILE A 656 -10.779 1.194 -2.423 1.00 0.00 H new ATOM 0 HD12 ILE A 656 -9.966 2.586 -3.177 1.00 0.00 H new ATOM 0 HD13 ILE A 656 -10.649 1.296 -4.195 1.00 0.00 H new ATOM 417 N GLY A 657 -4.783 1.925 -3.879 1.00 0.00 N ATOM 418 CA GLY A 657 -3.530 1.633 -3.212 1.00 0.00 C ATOM 419 C GLY A 657 -2.506 2.717 -3.457 1.00 0.00 C ATOM 420 O GLY A 657 -1.717 3.054 -2.574 1.00 0.00 O ATOM 0 H GLY A 657 -4.735 1.921 -4.898 1.00 0.00 H new ATOM 0 HA2 GLY A 657 -3.702 1.529 -2.141 1.00 0.00 H new ATOM 0 HA3 GLY A 657 -3.142 0.678 -3.566 1.00 0.00 H new ATOM 424 N VAL A 658 -2.534 3.272 -4.662 1.00 0.00 N ATOM 425 CA VAL A 658 -1.621 4.338 -5.037 1.00 0.00 C ATOM 426 C VAL A 658 -2.131 5.672 -4.511 1.00 0.00 C ATOM 427 O VAL A 658 -1.363 6.497 -4.017 1.00 0.00 O ATOM 428 CB VAL A 658 -1.457 4.408 -6.567 1.00 0.00 C ATOM 429 CG1 VAL A 658 -2.776 4.770 -7.237 1.00 0.00 C ATOM 430 CG2 VAL A 658 -0.365 5.397 -6.947 1.00 0.00 C ATOM 0 H VAL A 658 -3.184 2.998 -5.399 1.00 0.00 H new ATOM 0 HA VAL A 658 -0.648 4.124 -4.595 1.00 0.00 H new ATOM 0 HB VAL A 658 -1.159 3.422 -6.923 1.00 0.00 H new ATOM 0 HG11 VAL A 658 -2.636 4.814 -8.317 1.00 0.00 H new ATOM 0 HG12 VAL A 658 -3.525 4.014 -6.999 1.00 0.00 H new ATOM 0 HG13 VAL A 658 -3.113 5.741 -6.876 1.00 0.00 H new ATOM 0 HG21 VAL A 658 -0.266 5.431 -8.032 1.00 0.00 H new ATOM 0 HG22 VAL A 658 -0.626 6.388 -6.576 1.00 0.00 H new ATOM 0 HG23 VAL A 658 0.581 5.082 -6.506 1.00 0.00 H new ATOM 440 N THR A 659 -3.440 5.859 -4.605 1.00 0.00 N ATOM 441 CA THR A 659 -4.085 7.071 -4.121 1.00 0.00 C ATOM 442 C THR A 659 -5.068 6.731 -3.000 1.00 0.00 C ATOM 443 O THR A 659 -5.493 7.604 -2.247 1.00 0.00 O ATOM 444 CB THR A 659 -4.807 7.791 -5.263 1.00 0.00 C ATOM 445 OG1 THR A 659 -3.878 8.286 -6.212 1.00 0.00 O ATOM 446 CG2 THR A 659 -5.654 8.959 -4.801 1.00 0.00 C ATOM 0 H THR A 659 -4.081 5.180 -5.016 1.00 0.00 H new ATOM 0 HA THR A 659 -3.319 7.738 -3.727 1.00 0.00 H new ATOM 0 HB THR A 659 -5.463 7.040 -5.703 1.00 0.00 H new ATOM 0 HG1 THR A 659 -4.359 8.741 -6.934 1.00 0.00 H new ATOM 0 HG21 THR A 659 -6.136 9.422 -5.662 1.00 0.00 H new ATOM 0 HG22 THR A 659 -6.415 8.604 -4.106 1.00 0.00 H new ATOM 0 HG23 THR A 659 -5.021 9.693 -4.302 1.00 0.00 H new ATOM 454 N GLY A 660 -5.422 5.451 -2.894 1.00 0.00 N ATOM 455 CA GLY A 660 -6.341 5.017 -1.862 1.00 0.00 C ATOM 456 C GLY A 660 -5.648 4.794 -0.530 1.00 0.00 C ATOM 457 O GLY A 660 -6.099 5.283 0.505 1.00 0.00 O ATOM 0 H GLY A 660 -5.086 4.708 -3.507 1.00 0.00 H new ATOM 0 HA2 GLY A 660 -7.126 5.764 -1.740 1.00 0.00 H new ATOM 0 HA3 GLY A 660 -6.826 4.093 -2.176 1.00 0.00 H new ATOM 461 N VAL A 661 -4.541 4.057 -0.565 1.00 0.00 N ATOM 462 CA VAL A 661 -3.766 3.767 0.636 1.00 0.00 C ATOM 463 C VAL A 661 -2.828 4.920 0.961 1.00 0.00 C ATOM 464 O VAL A 661 -2.917 5.533 2.024 1.00 0.00 O ATOM 465 CB VAL A 661 -2.950 2.465 0.485 1.00 0.00 C ATOM 466 CG1 VAL A 661 -2.051 2.243 1.694 1.00 0.00 C ATOM 467 CG2 VAL A 661 -3.879 1.276 0.285 1.00 0.00 C ATOM 0 H VAL A 661 -4.160 3.648 -1.418 1.00 0.00 H new ATOM 0 HA VAL A 661 -4.475 3.636 1.454 1.00 0.00 H new ATOM 0 HB VAL A 661 -2.315 2.562 -0.395 1.00 0.00 H new ATOM 0 HG11 VAL A 661 -1.487 1.320 1.563 1.00 0.00 H new ATOM 0 HG12 VAL A 661 -1.360 3.080 1.792 1.00 0.00 H new ATOM 0 HG13 VAL A 661 -2.662 2.170 2.594 1.00 0.00 H new ATOM 0 HG21 VAL A 661 -3.288 0.366 0.180 1.00 0.00 H new ATOM 0 HG22 VAL A 661 -4.540 1.182 1.146 1.00 0.00 H new ATOM 0 HG23 VAL A 661 -4.475 1.427 -0.615 1.00 0.00 H new ATOM 477 N VAL A 662 -1.927 5.203 0.024 1.00 0.00 N ATOM 478 CA VAL A 662 -0.955 6.279 0.173 1.00 0.00 C ATOM 479 C VAL A 662 -1.590 7.527 0.775 1.00 0.00 C ATOM 480 O VAL A 662 -0.941 8.282 1.493 1.00 0.00 O ATOM 481 CB VAL A 662 -0.337 6.632 -1.193 1.00 0.00 C ATOM 482 CG1 VAL A 662 0.479 7.919 -1.116 1.00 0.00 C ATOM 483 CG2 VAL A 662 0.519 5.482 -1.700 1.00 0.00 C ATOM 0 H VAL A 662 -1.851 4.694 -0.857 1.00 0.00 H new ATOM 0 HA VAL A 662 -0.177 5.926 0.850 1.00 0.00 H new ATOM 0 HB VAL A 662 -1.151 6.798 -1.899 1.00 0.00 H new ATOM 0 HG11 VAL A 662 0.902 8.141 -2.096 1.00 0.00 H new ATOM 0 HG12 VAL A 662 -0.166 8.741 -0.805 1.00 0.00 H new ATOM 0 HG13 VAL A 662 1.285 7.796 -0.392 1.00 0.00 H new ATOM 0 HG21 VAL A 662 0.949 5.747 -2.666 1.00 0.00 H new ATOM 0 HG22 VAL A 662 1.321 5.284 -0.988 1.00 0.00 H new ATOM 0 HG23 VAL A 662 -0.098 4.590 -1.809 1.00 0.00 H new ATOM 493 N ILE A 663 -2.856 7.741 0.462 1.00 0.00 N ATOM 494 CA ILE A 663 -3.580 8.901 0.952 1.00 0.00 C ATOM 495 C ILE A 663 -4.033 8.717 2.399 1.00 0.00 C ATOM 496 O ILE A 663 -4.051 9.668 3.180 1.00 0.00 O ATOM 497 CB ILE A 663 -4.790 9.192 0.043 1.00 0.00 C ATOM 498 CG1 ILE A 663 -5.064 10.696 -0.021 1.00 0.00 C ATOM 499 CG2 ILE A 663 -6.030 8.437 0.507 1.00 0.00 C ATOM 500 CD1 ILE A 663 -4.075 11.454 -0.880 1.00 0.00 C ATOM 0 H ILE A 663 -3.407 7.122 -0.133 1.00 0.00 H new ATOM 0 HA ILE A 663 -2.900 9.752 0.928 1.00 0.00 H new ATOM 0 HB ILE A 663 -4.546 8.841 -0.960 1.00 0.00 H new ATOM 0 HG12 ILE A 663 -6.069 10.858 -0.410 1.00 0.00 H new ATOM 0 HG13 ILE A 663 -5.043 11.104 0.989 1.00 0.00 H new ATOM 0 HG21 ILE A 663 -6.864 8.665 -0.156 1.00 0.00 H new ATOM 0 HG22 ILE A 663 -5.832 7.365 0.486 1.00 0.00 H new ATOM 0 HG23 ILE A 663 -6.281 8.740 1.523 1.00 0.00 H new ATOM 0 HD11 ILE A 663 -4.330 12.514 -0.880 1.00 0.00 H new ATOM 0 HD12 ILE A 663 -3.070 11.323 -0.480 1.00 0.00 H new ATOM 0 HD13 ILE A 663 -4.112 11.072 -1.900 1.00 0.00 H new ATOM 512 N ALA A 664 -4.398 7.489 2.749 1.00 0.00 N ATOM 513 CA ALA A 664 -4.851 7.182 4.099 1.00 0.00 C ATOM 514 C ALA A 664 -3.673 6.982 5.049 1.00 0.00 C ATOM 515 O ALA A 664 -3.792 7.208 6.253 1.00 0.00 O ATOM 516 CB ALA A 664 -5.737 5.945 4.088 1.00 0.00 C ATOM 0 H ALA A 664 -4.389 6.690 2.115 1.00 0.00 H new ATOM 0 HA ALA A 664 -5.431 8.031 4.460 1.00 0.00 H new ATOM 0 HB1 ALA A 664 -6.069 5.726 5.103 1.00 0.00 H new ATOM 0 HB2 ALA A 664 -6.605 6.125 3.453 1.00 0.00 H new ATOM 0 HB3 ALA A 664 -5.173 5.097 3.700 1.00 0.00 H new ATOM 522 N VAL A 665 -2.535 6.563 4.502 1.00 0.00 N ATOM 523 CA VAL A 665 -1.343 6.343 5.301 1.00 0.00 C ATOM 524 C VAL A 665 -0.581 7.649 5.482 1.00 0.00 C ATOM 525 O VAL A 665 -0.007 7.910 6.539 1.00 0.00 O ATOM 526 CB VAL A 665 -0.429 5.278 4.656 1.00 0.00 C ATOM 527 CG1 VAL A 665 -0.277 5.520 3.161 1.00 0.00 C ATOM 528 CG2 VAL A 665 0.926 5.255 5.335 1.00 0.00 C ATOM 0 H VAL A 665 -2.418 6.370 3.507 1.00 0.00 H new ATOM 0 HA VAL A 665 -1.655 5.975 6.278 1.00 0.00 H new ATOM 0 HB VAL A 665 -0.899 4.304 4.792 1.00 0.00 H new ATOM 0 HG11 VAL A 665 0.371 4.756 2.733 1.00 0.00 H new ATOM 0 HG12 VAL A 665 -1.256 5.474 2.684 1.00 0.00 H new ATOM 0 HG13 VAL A 665 0.162 6.503 2.994 1.00 0.00 H new ATOM 0 HG21 VAL A 665 1.555 4.498 4.866 1.00 0.00 H new ATOM 0 HG22 VAL A 665 1.399 6.232 5.236 1.00 0.00 H new ATOM 0 HG23 VAL A 665 0.800 5.018 6.391 1.00 0.00 H new ATOM 538 N ILE A 666 -0.596 8.466 4.439 1.00 0.00 N ATOM 539 CA ILE A 666 0.072 9.752 4.456 1.00 0.00 C ATOM 540 C ILE A 666 -0.777 10.774 5.191 1.00 0.00 C ATOM 541 O ILE A 666 -0.260 11.626 5.907 1.00 0.00 O ATOM 542 CB ILE A 666 0.320 10.244 3.021 1.00 0.00 C ATOM 543 CG1 ILE A 666 1.375 9.373 2.334 1.00 0.00 C ATOM 544 CG2 ILE A 666 0.744 11.705 3.011 1.00 0.00 C ATOM 545 CD1 ILE A 666 2.759 9.513 2.933 1.00 0.00 C ATOM 0 H ILE A 666 -1.071 8.254 3.562 1.00 0.00 H new ATOM 0 HA ILE A 666 1.027 9.634 4.969 1.00 0.00 H new ATOM 0 HB ILE A 666 -0.615 10.161 2.467 1.00 0.00 H new ATOM 0 HG12 ILE A 666 1.067 8.329 2.392 1.00 0.00 H new ATOM 0 HG13 ILE A 666 1.418 9.634 1.277 1.00 0.00 H new ATOM 0 HG21 ILE A 666 0.913 12.028 1.984 1.00 0.00 H new ATOM 0 HG22 ILE A 666 -0.041 12.315 3.458 1.00 0.00 H new ATOM 0 HG23 ILE A 666 1.664 11.821 3.584 1.00 0.00 H new ATOM 0 HD11 ILE A 666 3.455 8.867 2.397 1.00 0.00 H new ATOM 0 HD12 ILE A 666 3.088 10.549 2.851 1.00 0.00 H new ATOM 0 HD13 ILE A 666 2.732 9.224 3.984 1.00 0.00 H new ATOM 557 N ALA A 667 -2.087 10.678 5.000 1.00 0.00 N ATOM 558 CA ALA A 667 -3.031 11.587 5.635 1.00 0.00 C ATOM 559 C ALA A 667 -2.631 11.881 7.078 1.00 0.00 C ATOM 560 O ALA A 667 -2.841 12.984 7.578 1.00 0.00 O ATOM 561 CB ALA A 667 -4.429 10.999 5.570 1.00 0.00 C ATOM 0 H ALA A 667 -2.522 9.973 4.405 1.00 0.00 H new ATOM 0 HA ALA A 667 -3.019 12.534 5.095 1.00 0.00 H new ATOM 0 HB1 ALA A 667 -5.133 11.681 6.046 1.00 0.00 H new ATOM 0 HB2 ALA A 667 -4.714 10.852 4.528 1.00 0.00 H new ATOM 0 HB3 ALA A 667 -4.445 10.041 6.089 1.00 0.00 H new ATOM 567 N LEU A 668 -2.043 10.887 7.737 1.00 0.00 N ATOM 568 CA LEU A 668 -1.602 11.038 9.110 1.00 0.00 C ATOM 569 C LEU A 668 -0.213 11.664 9.172 1.00 0.00 C ATOM 570 O LEU A 668 -0.040 12.764 9.698 1.00 0.00 O ATOM 571 CB LEU A 668 -1.584 9.677 9.798 1.00 0.00 C ATOM 572 CG LEU A 668 -1.070 9.684 11.236 1.00 0.00 C ATOM 573 CD1 LEU A 668 -1.478 10.969 11.944 1.00 0.00 C ATOM 574 CD2 LEU A 668 -1.593 8.468 11.981 1.00 0.00 C ATOM 0 H LEU A 668 -1.863 9.967 7.336 1.00 0.00 H new ATOM 0 HA LEU A 668 -2.300 11.699 9.624 1.00 0.00 H new ATOM 0 HB2 LEU A 668 -2.596 9.271 9.792 1.00 0.00 H new ATOM 0 HB3 LEU A 668 -0.965 8.999 9.211 1.00 0.00 H new ATOM 0 HG LEU A 668 0.019 9.640 11.220 1.00 0.00 H new ATOM 0 HD11 LEU A 668 -1.103 10.956 12.967 1.00 0.00 H new ATOM 0 HD12 LEU A 668 -1.059 11.825 11.415 1.00 0.00 H new ATOM 0 HD13 LEU A 668 -2.565 11.048 11.957 1.00 0.00 H new ATOM 0 HD21 LEU A 668 -1.221 8.481 13.006 1.00 0.00 H new ATOM 0 HD22 LEU A 668 -2.683 8.488 11.990 1.00 0.00 H new ATOM 0 HD23 LEU A 668 -1.251 7.561 11.483 1.00 0.00 H new ATOM 586 N PHE A 669 0.775 10.961 8.625 1.00 0.00 N ATOM 587 CA PHE A 669 2.149 11.454 8.614 1.00 0.00 C ATOM 588 C PHE A 669 2.206 12.856 8.022 1.00 0.00 C ATOM 589 O PHE A 669 3.094 13.644 8.343 1.00 0.00 O ATOM 590 CB PHE A 669 3.047 10.507 7.815 1.00 0.00 C ATOM 591 CG PHE A 669 4.314 10.134 8.530 1.00 0.00 C ATOM 592 CD1 PHE A 669 5.142 11.112 9.057 1.00 0.00 C ATOM 593 CD2 PHE A 669 4.677 8.804 8.674 1.00 0.00 C ATOM 594 CE1 PHE A 669 6.309 10.770 9.715 1.00 0.00 C ATOM 595 CE2 PHE A 669 5.842 8.457 9.331 1.00 0.00 C ATOM 596 CZ PHE A 669 6.659 9.441 9.853 1.00 0.00 C ATOM 0 H PHE A 669 0.650 10.050 8.184 1.00 0.00 H new ATOM 0 HA PHE A 669 2.510 11.495 9.642 1.00 0.00 H new ATOM 0 HB2 PHE A 669 2.489 9.599 7.584 1.00 0.00 H new ATOM 0 HB3 PHE A 669 3.301 10.976 6.864 1.00 0.00 H new ATOM 0 HD1 PHE A 669 4.873 12.153 8.953 1.00 0.00 H new ATOM 0 HD2 PHE A 669 4.042 8.030 8.268 1.00 0.00 H new ATOM 0 HE1 PHE A 669 6.946 11.542 10.121 1.00 0.00 H new ATOM 0 HE2 PHE A 669 6.114 7.417 9.436 1.00 0.00 H new ATOM 0 HZ PHE A 669 7.569 9.172 10.368 1.00 0.00 H new ATOM 606 N ALA A 670 1.243 13.157 7.161 1.00 0.00 N ATOM 607 CA ALA A 670 1.165 14.457 6.522 1.00 0.00 C ATOM 608 C ALA A 670 0.880 15.550 7.548 1.00 0.00 C ATOM 609 O ALA A 670 1.221 16.713 7.334 1.00 0.00 O ATOM 610 CB ALA A 670 0.097 14.443 5.436 1.00 0.00 C ATOM 0 H ALA A 670 0.502 12.511 6.890 1.00 0.00 H new ATOM 0 HA ALA A 670 2.128 14.675 6.060 1.00 0.00 H new ATOM 0 HB1 ALA A 670 0.047 15.424 4.963 1.00 0.00 H new ATOM 0 HB2 ALA A 670 0.349 13.691 4.688 1.00 0.00 H new ATOM 0 HB3 ALA A 670 -0.870 14.204 5.879 1.00 0.00 H new ATOM 616 N ILE A 671 0.258 15.174 8.667 1.00 0.00 N ATOM 617 CA ILE A 671 -0.057 16.132 9.717 1.00 0.00 C ATOM 618 C ILE A 671 1.115 16.303 10.664 1.00 0.00 C ATOM 619 O ILE A 671 1.386 17.401 11.150 1.00 0.00 O ATOM 620 CB ILE A 671 -1.293 15.698 10.522 1.00 0.00 C ATOM 621 CG1 ILE A 671 -2.438 15.321 9.581 1.00 0.00 C ATOM 622 CG2 ILE A 671 -1.719 16.804 11.471 1.00 0.00 C ATOM 623 CD1 ILE A 671 -2.976 16.489 8.783 1.00 0.00 C ATOM 0 H ILE A 671 -0.034 14.217 8.865 1.00 0.00 H new ATOM 0 HA ILE A 671 -0.270 17.082 9.227 1.00 0.00 H new ATOM 0 HB ILE A 671 -1.034 14.819 11.113 1.00 0.00 H new ATOM 0 HG12 ILE A 671 -2.092 14.550 8.893 1.00 0.00 H new ATOM 0 HG13 ILE A 671 -3.249 14.886 10.165 1.00 0.00 H new ATOM 0 HG21 ILE A 671 -2.595 16.483 12.034 1.00 0.00 H new ATOM 0 HG22 ILE A 671 -0.905 17.025 12.161 1.00 0.00 H new ATOM 0 HG23 ILE A 671 -1.963 17.700 10.900 1.00 0.00 H new ATOM 0 HD11 ILE A 671 -3.785 16.147 8.138 1.00 0.00 H new ATOM 0 HD12 ILE A 671 -3.353 17.252 9.464 1.00 0.00 H new ATOM 0 HD13 ILE A 671 -2.178 16.910 8.172 1.00 0.00 H new ATOM 635 N ALA A 672 1.811 15.209 10.910 1.00 0.00 N ATOM 636 CA ALA A 672 2.967 15.218 11.787 1.00 0.00 C ATOM 637 C ALA A 672 4.030 16.169 11.261 1.00 0.00 C ATOM 638 O ALA A 672 4.781 16.774 12.023 1.00 0.00 O ATOM 639 CB ALA A 672 3.521 13.819 11.887 1.00 0.00 C ATOM 0 H ALA A 672 1.594 14.296 10.511 1.00 0.00 H new ATOM 0 HA ALA A 672 2.665 15.563 12.776 1.00 0.00 H new ATOM 0 HB1 ALA A 672 4.390 13.818 12.545 1.00 0.00 H new ATOM 0 HB2 ALA A 672 2.759 13.154 12.292 1.00 0.00 H new ATOM 0 HB3 ALA A 672 3.815 13.473 10.896 1.00 0.00 H new ATOM 645 N LYS A 673 4.079 16.295 9.947 1.00 0.00 N ATOM 646 CA LYS A 673 5.038 17.180 9.302 1.00 0.00 C ATOM 647 C LYS A 673 4.450 18.578 9.132 1.00 0.00 C ATOM 648 O LYS A 673 5.179 19.547 8.920 1.00 0.00 O ATOM 649 CB LYS A 673 5.480 16.619 7.945 1.00 0.00 C ATOM 650 CG LYS A 673 4.410 15.810 7.225 1.00 0.00 C ATOM 651 CD LYS A 673 4.317 16.194 5.759 1.00 0.00 C ATOM 652 CE LYS A 673 5.050 15.201 4.871 1.00 0.00 C ATOM 653 NZ LYS A 673 6.105 15.861 4.053 1.00 0.00 N ATOM 0 H LYS A 673 3.466 15.796 9.303 1.00 0.00 H new ATOM 0 HA LYS A 673 5.916 17.247 9.945 1.00 0.00 H new ATOM 0 HB2 LYS A 673 5.786 17.446 7.305 1.00 0.00 H new ATOM 0 HB3 LYS A 673 6.357 15.989 8.093 1.00 0.00 H new ATOM 0 HG2 LYS A 673 4.636 14.747 7.310 1.00 0.00 H new ATOM 0 HG3 LYS A 673 3.445 15.970 7.706 1.00 0.00 H new ATOM 0 HD2 LYS A 673 3.270 16.244 5.462 1.00 0.00 H new ATOM 0 HD3 LYS A 673 4.737 17.190 5.616 1.00 0.00 H new ATOM 0 HE2 LYS A 673 5.502 14.426 5.490 1.00 0.00 H new ATOM 0 HE3 LYS A 673 4.336 14.707 4.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 673 6.581 15.150 3.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 673 5.671 16.583 3.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 673 6.801 16.311 4.681 1.00 0.00 H new ATOM 667 N PHE A 674 3.126 18.675 9.229 1.00 0.00 N ATOM 668 CA PHE A 674 2.440 19.953 9.089 1.00 0.00 C ATOM 669 C PHE A 674 2.304 20.651 10.437 1.00 0.00 C ATOM 670 O PHE A 674 2.371 21.877 10.522 1.00 0.00 O ATOM 671 CB PHE A 674 1.055 19.741 8.481 1.00 0.00 C ATOM 672 CG PHE A 674 0.626 20.842 7.553 1.00 0.00 C ATOM 673 CD1 PHE A 674 0.538 22.151 8.002 1.00 0.00 C ATOM 674 CD2 PHE A 674 0.310 20.568 6.232 1.00 0.00 C ATOM 675 CE1 PHE A 674 0.143 23.165 7.150 1.00 0.00 C ATOM 676 CE2 PHE A 674 -0.086 21.578 5.376 1.00 0.00 C ATOM 677 CZ PHE A 674 -0.170 22.878 5.835 1.00 0.00 C ATOM 0 H PHE A 674 2.508 17.882 9.404 1.00 0.00 H new ATOM 0 HA PHE A 674 3.035 20.585 8.429 1.00 0.00 H new ATOM 0 HB2 PHE A 674 1.048 18.796 7.937 1.00 0.00 H new ATOM 0 HB3 PHE A 674 0.325 19.651 9.285 1.00 0.00 H new ATOM 0 HD1 PHE A 674 0.781 22.381 9.029 1.00 0.00 H new ATOM 0 HD2 PHE A 674 0.374 19.553 5.867 1.00 0.00 H new ATOM 0 HE1 PHE A 674 0.079 24.181 7.512 1.00 0.00 H new ATOM 0 HE2 PHE A 674 -0.330 21.351 4.349 1.00 0.00 H new ATOM 0 HZ PHE A 674 -0.480 23.669 5.168 1.00 0.00 H new ATOM 687 N VAL A 675 2.108 19.863 11.489 1.00 0.00 N ATOM 688 CA VAL A 675 1.958 20.411 12.832 1.00 0.00 C ATOM 689 C VAL A 675 3.283 20.395 13.590 1.00 0.00 C ATOM 690 O VAL A 675 3.435 21.080 14.602 1.00 0.00 O ATOM 691 CB VAL A 675 0.899 19.636 13.638 1.00 0.00 C ATOM 692 CG1 VAL A 675 0.701 20.262 15.012 1.00 0.00 C ATOM 693 CG2 VAL A 675 -0.416 19.583 12.875 1.00 0.00 C ATOM 0 H VAL A 675 2.049 18.846 11.438 1.00 0.00 H new ATOM 0 HA VAL A 675 1.629 21.444 12.717 1.00 0.00 H new ATOM 0 HB VAL A 675 1.255 18.616 13.780 1.00 0.00 H new ATOM 0 HG11 VAL A 675 -0.051 19.698 15.564 1.00 0.00 H new ATOM 0 HG12 VAL A 675 1.643 20.243 15.560 1.00 0.00 H new ATOM 0 HG13 VAL A 675 0.369 21.294 14.897 1.00 0.00 H new ATOM 0 HG21 VAL A 675 -1.153 19.032 13.459 1.00 0.00 H new ATOM 0 HG22 VAL A 675 -0.776 20.597 12.700 1.00 0.00 H new ATOM 0 HG23 VAL A 675 -0.262 19.082 11.919 1.00 0.00 H new ATOM 703 N PHE A 676 4.240 19.615 13.096 1.00 0.00 N ATOM 704 CA PHE A 676 5.551 19.523 13.733 1.00 0.00 C ATOM 705 C PHE A 676 6.665 19.730 12.713 1.00 0.00 C ATOM 706 O PHE A 676 7.846 19.718 13.118 1.00 0.00 O ATOM 707 CB PHE A 676 5.727 18.167 14.424 1.00 0.00 C ATOM 708 CG PHE A 676 4.501 17.683 15.147 1.00 0.00 C ATOM 709 CD1 PHE A 676 3.370 17.296 14.445 1.00 0.00 C ATOM 710 CD2 PHE A 676 4.484 17.609 16.531 1.00 0.00 C ATOM 711 CE1 PHE A 676 2.246 16.844 15.110 1.00 0.00 C ATOM 712 CE2 PHE A 676 3.362 17.159 17.201 1.00 0.00 C ATOM 713 CZ PHE A 676 2.242 16.776 16.490 1.00 0.00 C ATOM 714 OXT PHE A 676 6.347 19.902 11.517 1.00 0.00 O ATOM 0 H PHE A 676 4.134 19.040 12.260 1.00 0.00 H new ATOM 0 HA PHE A 676 5.611 20.311 14.484 1.00 0.00 H new ATOM 0 HB2 PHE A 676 6.012 17.425 13.678 1.00 0.00 H new ATOM 0 HB3 PHE A 676 6.551 18.237 15.134 1.00 0.00 H new ATOM 0 HD1 PHE A 676 3.367 17.348 13.366 1.00 0.00 H new ATOM 0 HD2 PHE A 676 5.357 17.906 17.092 1.00 0.00 H new ATOM 0 HE1 PHE A 676 1.372 16.544 14.552 1.00 0.00 H new ATOM 0 HE2 PHE A 676 3.361 17.107 18.280 1.00 0.00 H new ATOM 0 HZ PHE A 676 1.364 16.424 17.012 1.00 0.00 H new TER 724 PHE A 676