USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 410 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 659 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 661 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 612 SER OG : rot 180:sc= 0 USER MOD Single : A 618 SER OG : rot 180:sc= 0.0392 USER MOD Single : A 621 SER OG : rot 180:sc= 0 USER MOD Single : A 624 SER OG : rot 180:sc= 0.0772 USER MOD Single : A 627 SER OG : rot -24:sc= 0.148 USER MOD Single : A 629 THR OG1 : rot 180:sc= 0.00985 USER MOD Single : A 632 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 634 MET CE :methyl 165:sc= -0.26 (180deg=-0.961) USER MOD Single : A 636 THR OG1 : rot 180:sc= 0 USER MOD Single : A 638 GLN : amide:sc= -0.276 X(o=-0.28,f=0) USER MOD Single : A 640 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 642 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 643 SER OG : rot 180:sc= -0.057 USER MOD Single : A 651 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 656 GLN : amide:sc= -0.0532 X(o=-0.053,f=-0.017) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 611 -14.788 -1.587 12.872 1.00 0.00 N ATOM 2 CA GLY A 611 -14.746 -0.747 11.677 1.00 0.00 C ATOM 3 C GLY A 611 -16.012 0.066 11.577 1.00 0.00 C ATOM 4 O GLY A 611 -16.021 1.210 12.031 1.00 0.00 O ATOM 0 HA2 GLY A 611 -13.881 -0.085 11.717 1.00 0.00 H new ATOM 0 HA3 GLY A 611 -14.631 -1.368 10.789 1.00 0.00 H new ATOM 8 N SER A 612 -17.078 -0.498 11.004 1.00 0.00 N ATOM 9 CA SER A 612 -18.364 0.178 10.829 1.00 0.00 C ATOM 10 C SER A 612 -18.257 1.461 9.976 1.00 0.00 C ATOM 11 O SER A 612 -19.148 2.315 10.034 1.00 0.00 O ATOM 12 CB SER A 612 -19.043 0.389 12.195 1.00 0.00 C ATOM 13 OG SER A 612 -19.172 -0.844 12.899 1.00 0.00 O ATOM 0 H SER A 612 -17.071 -1.452 10.643 1.00 0.00 H new ATOM 0 HA SER A 612 -19.016 -0.472 10.245 1.00 0.00 H new ATOM 0 HB2 SER A 612 -18.460 1.092 12.790 1.00 0.00 H new ATOM 0 HB3 SER A 612 -20.028 0.834 12.051 1.00 0.00 H new ATOM 0 HG SER A 612 -19.604 -0.683 13.764 1.00 0.00 H new ATOM 19 N ILE A 613 -17.169 1.632 9.217 1.00 0.00 N ATOM 20 CA ILE A 613 -16.947 2.792 8.356 1.00 0.00 C ATOM 21 C ILE A 613 -17.811 2.678 7.097 1.00 0.00 C ATOM 22 O ILE A 613 -18.206 1.563 6.748 1.00 0.00 O ATOM 23 CB ILE A 613 -15.451 2.921 8.008 1.00 0.00 C ATOM 24 CG1 ILE A 613 -14.855 1.712 7.256 1.00 0.00 C ATOM 25 CG2 ILE A 613 -14.687 3.204 9.301 1.00 0.00 C ATOM 26 CD1 ILE A 613 -13.875 2.161 6.170 1.00 0.00 C ATOM 0 H ILE A 613 -16.407 0.955 9.185 1.00 0.00 H new ATOM 0 HA ILE A 613 -17.241 3.698 8.886 1.00 0.00 H new ATOM 0 HB ILE A 613 -15.349 3.745 7.302 1.00 0.00 H new ATOM 0 HG12 ILE A 613 -14.344 1.058 7.962 1.00 0.00 H new ATOM 0 HG13 ILE A 613 -15.658 1.129 6.806 1.00 0.00 H new ATOM 0 HG21 ILE A 613 -13.624 3.300 9.082 1.00 0.00 H new ATOM 0 HG22 ILE A 613 -15.051 4.131 9.743 1.00 0.00 H new ATOM 0 HG23 ILE A 613 -14.840 2.383 10.001 1.00 0.00 H new ATOM 0 HD11 ILE A 613 -13.473 1.286 5.659 1.00 0.00 H new ATOM 0 HD12 ILE A 613 -14.394 2.795 5.451 1.00 0.00 H new ATOM 0 HD13 ILE A 613 -13.059 2.722 6.626 1.00 0.00 H new ATOM 38 N PRO A 614 -18.057 3.776 6.364 1.00 0.00 N ATOM 39 CA PRO A 614 -18.886 3.698 5.179 1.00 0.00 C ATOM 40 C PRO A 614 -18.249 2.972 3.989 1.00 0.00 C ATOM 41 O PRO A 614 -18.967 2.297 3.251 1.00 0.00 O ATOM 42 CB PRO A 614 -19.252 5.146 4.851 1.00 0.00 C ATOM 43 CG PRO A 614 -18.094 5.960 5.413 1.00 0.00 C ATOM 44 CD PRO A 614 -17.679 5.158 6.643 1.00 0.00 C ATOM 0 HA PRO A 614 -19.762 3.081 5.381 1.00 0.00 H new ATOM 0 HB2 PRO A 614 -19.360 5.296 3.777 1.00 0.00 H new ATOM 0 HB3 PRO A 614 -20.199 5.431 5.309 1.00 0.00 H new ATOM 0 HG2 PRO A 614 -17.278 6.051 4.696 1.00 0.00 H new ATOM 0 HG3 PRO A 614 -18.402 6.972 5.676 1.00 0.00 H new ATOM 0 HD2 PRO A 614 -16.607 5.242 6.821 1.00 0.00 H new ATOM 0 HD3 PRO A 614 -18.180 5.527 7.538 1.00 0.00 H new ATOM 52 N CYS A 615 -16.938 3.120 3.801 1.00 0.00 N ATOM 53 CA CYS A 615 -16.141 2.526 2.720 1.00 0.00 C ATOM 54 C CYS A 615 -15.765 1.076 3.060 1.00 0.00 C ATOM 55 O CYS A 615 -15.849 0.678 4.224 1.00 0.00 O ATOM 56 CB CYS A 615 -14.877 3.380 2.490 1.00 0.00 C ATOM 57 SG CYS A 615 -15.028 5.126 2.962 1.00 0.00 S ATOM 0 H CYS A 615 -16.370 3.687 4.430 1.00 0.00 H new ATOM 0 HA CYS A 615 -16.732 2.510 1.804 1.00 0.00 H new ATOM 0 HB2 CYS A 615 -14.053 2.939 3.050 1.00 0.00 H new ATOM 0 HB3 CYS A 615 -14.609 3.327 1.435 1.00 0.00 H new ATOM 62 N LEU A 616 -15.324 0.269 2.085 1.00 0.00 N ATOM 63 CA LEU A 616 -14.940 -1.125 2.327 1.00 0.00 C ATOM 64 C LEU A 616 -13.964 -1.603 1.250 1.00 0.00 C ATOM 65 O LEU A 616 -14.345 -1.976 0.137 1.00 0.00 O ATOM 66 CB LEU A 616 -16.180 -2.034 2.474 1.00 0.00 C ATOM 67 CG LEU A 616 -15.970 -3.317 3.302 1.00 0.00 C ATOM 68 CD1 LEU A 616 -15.089 -4.338 2.591 1.00 0.00 C ATOM 69 CD2 LEU A 616 -15.409 -3.069 4.708 1.00 0.00 C ATOM 0 H LEU A 616 -15.225 0.563 1.113 1.00 0.00 H new ATOM 0 HA LEU A 616 -14.414 -1.186 3.280 1.00 0.00 H new ATOM 0 HB2 LEU A 616 -16.981 -1.454 2.932 1.00 0.00 H new ATOM 0 HB3 LEU A 616 -16.521 -2.317 1.478 1.00 0.00 H new ATOM 0 HG LEU A 616 -16.976 -3.721 3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 616 -14.975 -5.221 3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 616 -15.552 -4.623 1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 616 -14.109 -3.901 2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 616 -15.290 -4.021 5.226 1.00 0.00 H new ATOM 0 HD22 LEU A 616 -14.441 -2.575 4.631 1.00 0.00 H new ATOM 0 HD23 LEU A 616 -16.097 -2.435 5.268 1.00 0.00 H new ATOM 81 N LEU A 617 -12.681 -1.574 1.603 1.00 0.00 N ATOM 82 CA LEU A 617 -11.555 -1.966 0.766 1.00 0.00 C ATOM 83 C LEU A 617 -11.036 -3.333 1.211 1.00 0.00 C ATOM 84 O LEU A 617 -11.394 -3.831 2.287 1.00 0.00 O ATOM 85 CB LEU A 617 -10.435 -0.923 0.917 1.00 0.00 C ATOM 86 CG LEU A 617 -10.824 0.511 0.503 1.00 0.00 C ATOM 87 CD1 LEU A 617 -9.719 1.470 0.951 1.00 0.00 C ATOM 88 CD2 LEU A 617 -11.042 0.610 -1.007 1.00 0.00 C ATOM 0 H LEU A 617 -12.386 -1.260 2.528 1.00 0.00 H new ATOM 0 HA LEU A 617 -11.873 -2.023 -0.275 1.00 0.00 H new ATOM 0 HB2 LEU A 617 -10.109 -0.910 1.957 1.00 0.00 H new ATOM 0 HB3 LEU A 617 -9.581 -1.239 0.319 1.00 0.00 H new ATOM 0 HG LEU A 617 -11.764 0.780 0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 617 -9.982 2.488 0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 617 -9.607 1.416 2.034 1.00 0.00 H new ATOM 0 HD13 LEU A 617 -8.779 1.190 0.475 1.00 0.00 H new ATOM 0 HD21 LEU A 617 -11.315 1.632 -1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 617 -10.124 0.335 -1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 617 -11.843 -0.067 -1.304 1.00 0.00 H new ATOM 100 N SER A 618 -10.207 -3.977 0.392 1.00 0.00 N ATOM 101 CA SER A 618 -9.647 -5.272 0.744 1.00 0.00 C ATOM 102 C SER A 618 -8.505 -5.064 1.750 1.00 0.00 C ATOM 103 O SER A 618 -7.973 -3.950 1.861 1.00 0.00 O ATOM 104 CB SER A 618 -9.177 -5.977 -0.541 1.00 0.00 C ATOM 105 OG SER A 618 -8.206 -5.253 -1.261 1.00 0.00 O ATOM 0 H SER A 618 -9.911 -3.621 -0.517 1.00 0.00 H new ATOM 0 HA SER A 618 -10.393 -5.910 1.218 1.00 0.00 H new ATOM 0 HB2 SER A 618 -8.770 -6.954 -0.281 1.00 0.00 H new ATOM 0 HB3 SER A 618 -10.039 -6.152 -1.185 1.00 0.00 H new ATOM 0 HG SER A 618 -7.951 -5.756 -2.062 1.00 0.00 H new ATOM 111 N PRO A 619 -8.122 -6.082 2.540 1.00 0.00 N ATOM 112 CA PRO A 619 -7.002 -5.911 3.450 1.00 0.00 C ATOM 113 C PRO A 619 -5.787 -5.732 2.533 1.00 0.00 C ATOM 114 O PRO A 619 -5.689 -6.416 1.512 1.00 0.00 O ATOM 115 CB PRO A 619 -6.948 -7.177 4.301 1.00 0.00 C ATOM 116 CG PRO A 619 -7.609 -8.233 3.416 1.00 0.00 C ATOM 117 CD PRO A 619 -8.622 -7.449 2.581 1.00 0.00 C ATOM 0 HA PRO A 619 -7.061 -5.062 4.132 1.00 0.00 H new ATOM 0 HB2 PRO A 619 -5.922 -7.448 4.551 1.00 0.00 H new ATOM 0 HB3 PRO A 619 -7.483 -7.051 5.242 1.00 0.00 H new ATOM 0 HG2 PRO A 619 -6.877 -8.736 2.784 1.00 0.00 H new ATOM 0 HG3 PRO A 619 -8.097 -9.003 4.013 1.00 0.00 H new ATOM 0 HD2 PRO A 619 -8.708 -7.865 1.577 1.00 0.00 H new ATOM 0 HD3 PRO A 619 -9.615 -7.490 3.029 1.00 0.00 H new ATOM 125 N TRP A 620 -4.880 -4.807 2.846 1.00 0.00 N ATOM 126 CA TRP A 620 -3.719 -4.590 1.987 1.00 0.00 C ATOM 127 C TRP A 620 -2.882 -5.858 1.828 1.00 0.00 C ATOM 128 O TRP A 620 -2.907 -6.751 2.688 1.00 0.00 O ATOM 129 CB TRP A 620 -2.796 -3.523 2.586 1.00 0.00 C ATOM 130 CG TRP A 620 -3.302 -2.123 2.682 1.00 0.00 C ATOM 131 CD1 TRP A 620 -3.831 -1.566 3.790 1.00 0.00 C ATOM 132 CD2 TRP A 620 -3.269 -1.064 1.676 1.00 0.00 C ATOM 133 NE1 TRP A 620 -4.156 -0.252 3.536 1.00 0.00 N ATOM 134 CE2 TRP A 620 -3.866 0.099 2.240 1.00 0.00 C ATOM 135 CE3 TRP A 620 -2.795 -0.953 0.352 1.00 0.00 C ATOM 136 CZ2 TRP A 620 -4.065 1.275 1.509 1.00 0.00 C ATOM 137 CZ3 TRP A 620 -2.951 0.245 -0.375 1.00 0.00 C ATOM 138 CH2 TRP A 620 -3.628 1.346 0.180 1.00 0.00 C ATOM 0 H TRP A 620 -4.925 -4.208 3.670 1.00 0.00 H new ATOM 0 HA TRP A 620 -4.112 -4.278 1.019 1.00 0.00 H new ATOM 0 HB2 TRP A 620 -2.521 -3.847 3.590 1.00 0.00 H new ATOM 0 HB3 TRP A 620 -1.880 -3.506 1.995 1.00 0.00 H new ATOM 0 HD1 TRP A 620 -3.977 -2.073 4.732 1.00 0.00 H new ATOM 0 HE1 TRP A 620 -4.562 0.382 4.225 1.00 0.00 H new ATOM 0 HE3 TRP A 620 -2.306 -1.797 -0.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 620 -4.553 2.123 1.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 620 -2.545 0.318 -1.373 1.00 0.00 H new ATOM 0 HH2 TRP A 620 -3.808 2.233 -0.410 1.00 0.00 H new ATOM 149 N SER A 621 -2.127 -5.925 0.738 1.00 0.00 N ATOM 150 CA SER A 621 -1.233 -7.033 0.487 1.00 0.00 C ATOM 151 C SER A 621 -0.063 -6.807 1.437 1.00 0.00 C ATOM 152 O SER A 621 0.195 -5.683 1.895 1.00 0.00 O ATOM 153 CB SER A 621 -0.723 -6.985 -0.965 1.00 0.00 C ATOM 154 OG SER A 621 0.257 -7.980 -1.245 1.00 0.00 O ATOM 0 H SER A 621 -2.122 -5.212 0.009 1.00 0.00 H new ATOM 0 HA SER A 621 -1.722 -7.996 0.636 1.00 0.00 H new ATOM 0 HB2 SER A 621 -1.566 -7.112 -1.644 1.00 0.00 H new ATOM 0 HB3 SER A 621 -0.300 -6.000 -1.163 1.00 0.00 H new ATOM 0 HG SER A 621 0.543 -7.904 -2.179 1.00 0.00 H new ATOM 160 N GLU A 622 0.629 -7.883 1.771 1.00 0.00 N ATOM 161 CA GLU A 622 1.804 -7.786 2.607 1.00 0.00 C ATOM 162 C GLU A 622 2.806 -6.989 1.750 1.00 0.00 C ATOM 163 O GLU A 622 2.920 -7.217 0.540 1.00 0.00 O ATOM 164 CB GLU A 622 2.283 -9.192 3.005 1.00 0.00 C ATOM 165 CG GLU A 622 2.606 -10.091 1.796 1.00 0.00 C ATOM 166 CD GLU A 622 2.014 -11.494 1.846 1.00 0.00 C ATOM 167 OE1 GLU A 622 0.891 -11.711 2.363 1.00 0.00 O ATOM 168 OE2 GLU A 622 2.613 -12.364 1.172 1.00 0.00 O ATOM 0 H GLU A 622 0.395 -8.830 1.475 1.00 0.00 H new ATOM 0 HA GLU A 622 1.642 -7.281 3.559 1.00 0.00 H new ATOM 0 HB2 GLU A 622 3.172 -9.102 3.630 1.00 0.00 H new ATOM 0 HB3 GLU A 622 1.515 -9.672 3.611 1.00 0.00 H new ATOM 0 HG2 GLU A 622 2.249 -9.597 0.892 1.00 0.00 H new ATOM 0 HG3 GLU A 622 3.689 -10.175 1.707 1.00 0.00 H new ATOM 175 N TRP A 623 3.468 -5.999 2.346 1.00 0.00 N ATOM 176 CA TRP A 623 4.449 -5.171 1.664 1.00 0.00 C ATOM 177 C TRP A 623 5.549 -6.013 1.023 1.00 0.00 C ATOM 178 O TRP A 623 5.900 -7.056 1.581 1.00 0.00 O ATOM 179 CB TRP A 623 5.157 -4.345 2.727 1.00 0.00 C ATOM 180 CG TRP A 623 4.404 -3.196 3.279 1.00 0.00 C ATOM 181 CD1 TRP A 623 3.789 -3.096 4.476 1.00 0.00 C ATOM 182 CD2 TRP A 623 4.274 -1.911 2.643 1.00 0.00 C ATOM 183 NE1 TRP A 623 3.294 -1.813 4.616 1.00 0.00 N ATOM 184 CE2 TRP A 623 3.544 -1.041 3.500 1.00 0.00 C ATOM 185 CE3 TRP A 623 4.758 -1.403 1.426 1.00 0.00 C ATOM 186 CZ2 TRP A 623 3.264 0.284 3.134 1.00 0.00 C ATOM 187 CZ3 TRP A 623 4.530 -0.074 1.083 1.00 0.00 C ATOM 188 CH2 TRP A 623 3.760 0.753 1.904 1.00 0.00 C ATOM 0 H TRP A 623 3.334 -5.750 3.326 1.00 0.00 H new ATOM 0 HA TRP A 623 3.931 -4.585 0.905 1.00 0.00 H new ATOM 0 HB2 TRP A 623 5.424 -5.006 3.551 1.00 0.00 H new ATOM 0 HB3 TRP A 623 6.089 -3.971 2.304 1.00 0.00 H new ATOM 0 HD1 TRP A 623 3.698 -3.888 5.205 1.00 0.00 H new ATOM 0 HE1 TRP A 623 2.803 -1.477 5.445 1.00 0.00 H new ATOM 0 HE3 TRP A 623 5.308 -2.046 0.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 623 2.683 0.927 3.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 623 4.953 0.323 0.172 1.00 0.00 H new ATOM 0 HH2 TRP A 623 3.543 1.764 1.591 1.00 0.00 H new ATOM 199 N SER A 624 6.156 -5.547 -0.068 1.00 0.00 N ATOM 200 CA SER A 624 7.230 -6.314 -0.678 1.00 0.00 C ATOM 201 C SER A 624 8.559 -5.787 -0.128 1.00 0.00 C ATOM 202 O SER A 624 8.626 -5.110 0.912 1.00 0.00 O ATOM 203 CB SER A 624 7.114 -6.217 -2.200 1.00 0.00 C ATOM 204 OG SER A 624 7.779 -7.280 -2.848 1.00 0.00 O ATOM 0 H SER A 624 5.928 -4.668 -0.533 1.00 0.00 H new ATOM 0 HA SER A 624 7.170 -7.374 -0.432 1.00 0.00 H new ATOM 0 HB2 SER A 624 6.062 -6.220 -2.485 1.00 0.00 H new ATOM 0 HB3 SER A 624 7.533 -5.268 -2.536 1.00 0.00 H new ATOM 0 HG SER A 624 7.681 -7.184 -3.818 1.00 0.00 H new ATOM 210 N ASP A 625 9.638 -6.198 -0.781 1.00 0.00 N ATOM 211 CA ASP A 625 11.014 -5.822 -0.475 1.00 0.00 C ATOM 212 C ASP A 625 11.229 -4.375 -0.953 1.00 0.00 C ATOM 213 O ASP A 625 10.325 -3.780 -1.555 1.00 0.00 O ATOM 214 CB ASP A 625 11.938 -6.795 -1.229 1.00 0.00 C ATOM 215 CG ASP A 625 13.260 -7.141 -0.538 1.00 0.00 C ATOM 216 OD1 ASP A 625 13.330 -7.094 0.715 1.00 0.00 O ATOM 217 OD2 ASP A 625 14.195 -7.574 -1.256 1.00 0.00 O ATOM 0 H ASP A 625 9.576 -6.833 -1.577 1.00 0.00 H new ATOM 0 HA ASP A 625 11.229 -5.875 0.592 1.00 0.00 H new ATOM 0 HB2 ASP A 625 11.391 -7.721 -1.405 1.00 0.00 H new ATOM 0 HB3 ASP A 625 12.163 -6.367 -2.206 1.00 0.00 H new ATOM 222 N CYS A 626 12.377 -3.764 -0.646 1.00 0.00 N ATOM 223 CA CYS A 626 12.669 -2.401 -1.094 1.00 0.00 C ATOM 224 C CYS A 626 13.245 -2.526 -2.523 1.00 0.00 C ATOM 225 O CYS A 626 13.852 -3.548 -2.861 1.00 0.00 O ATOM 226 CB CYS A 626 13.668 -1.738 -0.130 1.00 0.00 C ATOM 227 SG CYS A 626 13.802 0.075 -0.202 1.00 0.00 S ATOM 0 H CYS A 626 13.118 -4.192 -0.090 1.00 0.00 H new ATOM 0 HA CYS A 626 11.779 -1.772 -1.103 1.00 0.00 H new ATOM 0 HB2 CYS A 626 13.394 -2.018 0.887 1.00 0.00 H new ATOM 0 HB3 CYS A 626 14.655 -2.159 -0.322 1.00 0.00 H new ATOM 232 N SER A 627 13.158 -1.476 -3.337 1.00 0.00 N ATOM 233 CA SER A 627 13.622 -1.456 -4.722 1.00 0.00 C ATOM 234 C SER A 627 15.088 -1.089 -4.851 1.00 0.00 C ATOM 235 O SER A 627 15.635 -1.218 -5.948 1.00 0.00 O ATOM 236 CB SER A 627 12.791 -0.417 -5.497 1.00 0.00 C ATOM 237 OG SER A 627 12.971 -0.463 -6.904 1.00 0.00 O ATOM 0 H SER A 627 12.750 -0.589 -3.042 1.00 0.00 H new ATOM 0 HA SER A 627 13.500 -2.462 -5.123 1.00 0.00 H new ATOM 0 HB2 SER A 627 11.736 -0.570 -5.271 1.00 0.00 H new ATOM 0 HB3 SER A 627 13.052 0.580 -5.141 1.00 0.00 H new ATOM 0 HG SER A 627 13.844 -0.857 -7.109 1.00 0.00 H new ATOM 243 N VAL A 628 15.725 -0.599 -3.792 1.00 0.00 N ATOM 244 CA VAL A 628 17.116 -0.194 -3.846 1.00 0.00 C ATOM 245 C VAL A 628 17.991 -1.202 -3.119 1.00 0.00 C ATOM 246 O VAL A 628 17.534 -1.860 -2.185 1.00 0.00 O ATOM 247 CB VAL A 628 17.206 1.245 -3.302 1.00 0.00 C ATOM 248 CG1 VAL A 628 17.275 1.329 -1.773 1.00 0.00 C ATOM 249 CG2 VAL A 628 18.365 1.975 -3.969 1.00 0.00 C ATOM 0 H VAL A 628 15.289 -0.474 -2.878 1.00 0.00 H new ATOM 0 HA VAL A 628 17.498 -0.184 -4.867 1.00 0.00 H new ATOM 0 HB VAL A 628 16.272 1.745 -3.560 1.00 0.00 H new ATOM 0 HG11 VAL A 628 17.337 2.374 -1.468 1.00 0.00 H new ATOM 0 HG12 VAL A 628 16.381 0.878 -1.343 1.00 0.00 H new ATOM 0 HG13 VAL A 628 18.157 0.795 -1.419 1.00 0.00 H new ATOM 0 HG21 VAL A 628 18.425 2.992 -3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 628 19.296 1.450 -3.757 1.00 0.00 H new ATOM 0 HG23 VAL A 628 18.204 2.006 -5.047 1.00 0.00 H new ATOM 259 N THR A 629 19.239 -1.316 -3.558 1.00 0.00 N ATOM 260 CA THR A 629 20.239 -2.205 -2.974 1.00 0.00 C ATOM 261 C THR A 629 20.929 -1.488 -1.820 1.00 0.00 C ATOM 262 O THR A 629 21.328 -2.128 -0.852 1.00 0.00 O ATOM 263 CB THR A 629 21.330 -2.534 -4.000 1.00 0.00 C ATOM 264 OG1 THR A 629 20.842 -2.404 -5.323 1.00 0.00 O ATOM 265 CG2 THR A 629 21.930 -3.923 -3.793 1.00 0.00 C ATOM 0 H THR A 629 19.593 -0.780 -4.350 1.00 0.00 H new ATOM 0 HA THR A 629 19.735 -3.114 -2.646 1.00 0.00 H new ATOM 0 HB THR A 629 22.128 -1.808 -3.844 1.00 0.00 H new ATOM 0 HG1 THR A 629 21.557 -2.618 -5.958 1.00 0.00 H new ATOM 0 HG21 THR A 629 22.697 -4.104 -4.546 1.00 0.00 H new ATOM 0 HG22 THR A 629 22.376 -3.983 -2.800 1.00 0.00 H new ATOM 0 HG23 THR A 629 21.146 -4.675 -3.885 1.00 0.00 H new ATOM 273 N CYS A 630 21.054 -0.163 -1.938 1.00 0.00 N ATOM 274 CA CYS A 630 21.686 0.702 -0.978 1.00 0.00 C ATOM 275 C CYS A 630 21.169 2.119 -1.109 1.00 0.00 C ATOM 276 O CYS A 630 20.775 2.540 -2.193 1.00 0.00 O ATOM 277 CB CYS A 630 23.189 0.750 -1.247 1.00 0.00 C ATOM 278 SG CYS A 630 23.690 0.808 -2.985 1.00 0.00 S ATOM 0 H CYS A 630 20.696 0.344 -2.747 1.00 0.00 H new ATOM 0 HA CYS A 630 21.469 0.311 0.016 1.00 0.00 H new ATOM 0 HB2 CYS A 630 23.599 1.625 -0.743 1.00 0.00 H new ATOM 0 HB3 CYS A 630 23.647 -0.126 -0.788 1.00 0.00 H new ATOM 283 N GLY A 631 21.261 2.880 -0.027 1.00 0.00 N ATOM 284 CA GLY A 631 20.840 4.266 -0.039 1.00 0.00 C ATOM 285 C GLY A 631 19.330 4.457 -0.050 1.00 0.00 C ATOM 286 O GLY A 631 18.555 3.576 0.335 1.00 0.00 O ATOM 0 H GLY A 631 21.625 2.556 0.869 1.00 0.00 H new ATOM 0 HA2 GLY A 631 21.252 4.767 0.837 1.00 0.00 H new ATOM 0 HA3 GLY A 631 21.264 4.756 -0.916 1.00 0.00 H new ATOM 290 N LYS A 632 18.918 5.655 -0.474 1.00 0.00 N ATOM 291 CA LYS A 632 17.526 6.076 -0.585 1.00 0.00 C ATOM 292 C LYS A 632 16.718 5.112 -1.442 1.00 0.00 C ATOM 293 O LYS A 632 17.133 4.696 -2.525 1.00 0.00 O ATOM 294 CB LYS A 632 17.457 7.464 -1.231 1.00 0.00 C ATOM 295 CG LYS A 632 17.592 8.610 -0.237 1.00 0.00 C ATOM 296 CD LYS A 632 16.364 8.823 0.648 1.00 0.00 C ATOM 297 CE LYS A 632 15.076 9.074 -0.143 1.00 0.00 C ATOM 298 NZ LYS A 632 14.005 9.597 0.726 1.00 0.00 N ATOM 0 H LYS A 632 19.573 6.383 -0.759 1.00 0.00 H new ATOM 0 HA LYS A 632 17.107 6.094 0.421 1.00 0.00 H new ATOM 0 HB2 LYS A 632 18.247 7.547 -1.977 1.00 0.00 H new ATOM 0 HB3 LYS A 632 16.508 7.563 -1.759 1.00 0.00 H new ATOM 0 HG2 LYS A 632 18.456 8.423 0.400 1.00 0.00 H new ATOM 0 HG3 LYS A 632 17.794 9.530 -0.786 1.00 0.00 H new ATOM 0 HD2 LYS A 632 16.227 7.947 1.282 1.00 0.00 H new ATOM 0 HD3 LYS A 632 16.545 9.670 1.310 1.00 0.00 H new ATOM 0 HE2 LYS A 632 15.273 9.783 -0.947 1.00 0.00 H new ATOM 0 HE3 LYS A 632 14.747 8.146 -0.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 632 13.146 9.757 0.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 632 13.801 8.909 1.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 632 14.311 10.495 1.152 1.00 0.00 H new ATOM 312 N GLY A 633 15.507 4.844 -0.981 1.00 0.00 N ATOM 313 CA GLY A 633 14.548 3.949 -1.602 1.00 0.00 C ATOM 314 C GLY A 633 13.149 4.212 -1.031 1.00 0.00 C ATOM 315 O GLY A 633 12.962 5.170 -0.270 1.00 0.00 O ATOM 0 H GLY A 633 15.151 5.265 -0.123 1.00 0.00 H new ATOM 0 HA2 GLY A 633 14.544 4.097 -2.682 1.00 0.00 H new ATOM 0 HA3 GLY A 633 14.835 2.913 -1.424 1.00 0.00 H new ATOM 319 N MET A 634 12.159 3.395 -1.394 1.00 0.00 N ATOM 320 CA MET A 634 10.775 3.476 -0.905 1.00 0.00 C ATOM 321 C MET A 634 9.931 2.420 -1.590 1.00 0.00 C ATOM 322 O MET A 634 10.017 2.250 -2.810 1.00 0.00 O ATOM 323 CB MET A 634 10.072 4.829 -1.007 1.00 0.00 C ATOM 324 CG MET A 634 10.077 5.521 -2.371 1.00 0.00 C ATOM 325 SD MET A 634 8.736 6.722 -2.612 1.00 0.00 S ATOM 326 CE MET A 634 8.281 7.185 -0.915 1.00 0.00 C ATOM 0 H MET A 634 12.299 2.633 -2.058 1.00 0.00 H new ATOM 0 HA MET A 634 10.870 3.308 0.168 1.00 0.00 H new ATOM 0 HB2 MET A 634 9.035 4.694 -0.701 1.00 0.00 H new ATOM 0 HB3 MET A 634 10.532 5.503 -0.285 1.00 0.00 H new ATOM 0 HG2 MET A 634 11.032 6.030 -2.502 1.00 0.00 H new ATOM 0 HG3 MET A 634 10.011 4.761 -3.150 1.00 0.00 H new ATOM 0 HE1 MET A 634 7.674 8.090 -0.935 1.00 0.00 H new ATOM 0 HE2 MET A 634 7.712 6.376 -0.457 1.00 0.00 H new ATOM 0 HE3 MET A 634 9.184 7.367 -0.333 1.00 0.00 H new ATOM 336 N ARG A 635 9.178 1.656 -0.800 1.00 0.00 N ATOM 337 CA ARG A 635 8.323 0.585 -1.291 1.00 0.00 C ATOM 338 C ARG A 635 6.909 1.078 -1.475 1.00 0.00 C ATOM 339 O ARG A 635 6.585 2.175 -1.013 1.00 0.00 O ATOM 340 CB ARG A 635 8.471 -0.658 -0.411 1.00 0.00 C ATOM 341 CG ARG A 635 8.242 -0.438 1.083 1.00 0.00 C ATOM 342 CD ARG A 635 8.274 -1.808 1.756 1.00 0.00 C ATOM 343 NE ARG A 635 7.901 -1.715 3.168 1.00 0.00 N ATOM 344 CZ ARG A 635 7.867 -2.759 4.012 1.00 0.00 C ATOM 345 NH1 ARG A 635 8.309 -3.959 3.636 1.00 0.00 N ATOM 346 NH2 ARG A 635 7.345 -2.619 5.227 1.00 0.00 N ATOM 0 H ARG A 635 9.147 1.768 0.213 1.00 0.00 H new ATOM 0 HA ARG A 635 8.641 0.270 -2.285 1.00 0.00 H new ATOM 0 HB2 ARG A 635 7.769 -1.415 -0.761 1.00 0.00 H new ATOM 0 HB3 ARG A 635 9.473 -1.064 -0.551 1.00 0.00 H new ATOM 0 HG2 ARG A 635 9.013 0.212 1.498 1.00 0.00 H new ATOM 0 HG3 ARG A 635 7.284 0.053 1.256 1.00 0.00 H new ATOM 0 HD2 ARG A 635 7.592 -2.485 1.241 1.00 0.00 H new ATOM 0 HD3 ARG A 635 9.273 -2.235 1.669 1.00 0.00 H new ATOM 0 HE ARG A 635 7.650 -0.797 3.535 1.00 0.00 H new ATOM 0 HH11 ARG A 635 8.680 -4.094 2.695 1.00 0.00 H new ATOM 0 HH12 ARG A 635 8.276 -4.742 4.289 1.00 0.00 H new ATOM 0 HH21 ARG A 635 6.969 -1.717 5.520 1.00 0.00 H new ATOM 0 HH22 ARG A 635 7.320 -3.414 5.866 1.00 0.00 H new ATOM 360 N THR A 636 6.080 0.289 -2.153 1.00 0.00 N ATOM 361 CA THR A 636 4.698 0.678 -2.404 1.00 0.00 C ATOM 362 C THR A 636 3.870 -0.584 -2.472 1.00 0.00 C ATOM 363 O THR A 636 4.403 -1.634 -2.805 1.00 0.00 O ATOM 364 CB THR A 636 4.543 1.480 -3.711 1.00 0.00 C ATOM 365 OG1 THR A 636 5.294 0.922 -4.770 1.00 0.00 O ATOM 366 CG2 THR A 636 4.917 2.956 -3.612 1.00 0.00 C ATOM 0 H THR A 636 6.341 -0.619 -2.536 1.00 0.00 H new ATOM 0 HA THR A 636 4.363 1.329 -1.597 1.00 0.00 H new ATOM 0 HB THR A 636 3.473 1.416 -3.910 1.00 0.00 H new ATOM 0 HG1 THR A 636 5.167 1.459 -5.580 1.00 0.00 H new ATOM 0 HG21 THR A 636 4.774 3.433 -4.581 1.00 0.00 H new ATOM 0 HG22 THR A 636 4.283 3.443 -2.871 1.00 0.00 H new ATOM 0 HG23 THR A 636 5.961 3.047 -3.313 1.00 0.00 H new ATOM 374 N ARG A 637 2.606 -0.535 -2.076 1.00 0.00 N ATOM 375 CA ARG A 637 1.724 -1.695 -2.140 1.00 0.00 C ATOM 376 C ARG A 637 0.369 -1.198 -2.597 1.00 0.00 C ATOM 377 O ARG A 637 0.100 0.007 -2.510 1.00 0.00 O ATOM 378 CB ARG A 637 1.696 -2.490 -0.828 1.00 0.00 C ATOM 379 CG ARG A 637 1.221 -1.688 0.383 1.00 0.00 C ATOM 380 CD ARG A 637 0.815 -2.651 1.486 1.00 0.00 C ATOM 381 NE ARG A 637 0.289 -1.941 2.662 1.00 0.00 N ATOM 382 CZ ARG A 637 0.178 -2.497 3.869 1.00 0.00 C ATOM 383 NH1 ARG A 637 0.407 -3.798 4.020 1.00 0.00 N ATOM 384 NH2 ARG A 637 -0.167 -1.750 4.910 1.00 0.00 N ATOM 0 H ARG A 637 2.163 0.305 -1.703 1.00 0.00 H new ATOM 0 HA ARG A 637 2.096 -2.424 -2.859 1.00 0.00 H new ATOM 0 HB2 ARG A 637 1.045 -3.355 -0.955 1.00 0.00 H new ATOM 0 HB3 ARG A 637 2.697 -2.872 -0.627 1.00 0.00 H new ATOM 0 HG2 ARG A 637 2.015 -1.028 0.733 1.00 0.00 H new ATOM 0 HG3 ARG A 637 0.378 -1.054 0.108 1.00 0.00 H new ATOM 0 HD2 ARG A 637 0.059 -3.339 1.108 1.00 0.00 H new ATOM 0 HD3 ARG A 637 1.676 -3.252 1.779 1.00 0.00 H new ATOM 0 HE ARG A 637 -0.007 -0.971 2.548 1.00 0.00 H new ATOM 0 HH11 ARG A 637 0.667 -4.367 3.214 1.00 0.00 H new ATOM 0 HH12 ARG A 637 0.323 -4.227 4.942 1.00 0.00 H new ATOM 0 HH21 ARG A 637 -0.346 -0.754 4.786 1.00 0.00 H new ATOM 0 HH22 ARG A 637 -0.253 -2.172 5.835 1.00 0.00 H new ATOM 398 N GLN A 638 -0.481 -2.094 -3.078 1.00 0.00 N ATOM 399 CA GLN A 638 -1.800 -1.737 -3.566 1.00 0.00 C ATOM 400 C GLN A 638 -2.863 -2.727 -3.102 1.00 0.00 C ATOM 401 O GLN A 638 -2.558 -3.770 -2.508 1.00 0.00 O ATOM 402 CB GLN A 638 -1.771 -1.522 -5.093 1.00 0.00 C ATOM 403 CG GLN A 638 -1.084 -2.661 -5.865 1.00 0.00 C ATOM 404 CD GLN A 638 -1.239 -2.610 -7.388 1.00 0.00 C ATOM 405 OE1 GLN A 638 -0.889 -3.575 -8.068 1.00 0.00 O ATOM 406 NE2 GLN A 638 -1.710 -1.519 -7.976 1.00 0.00 N ATOM 0 H GLN A 638 -0.272 -3.091 -3.140 1.00 0.00 H new ATOM 0 HA GLN A 638 -2.091 -0.784 -3.125 1.00 0.00 H new ATOM 0 HB2 GLN A 638 -2.793 -1.414 -5.455 1.00 0.00 H new ATOM 0 HB3 GLN A 638 -1.256 -0.586 -5.309 1.00 0.00 H new ATOM 0 HG2 GLN A 638 -0.021 -2.650 -5.625 1.00 0.00 H new ATOM 0 HG3 GLN A 638 -1.482 -3.611 -5.508 1.00 0.00 H new ATOM 0 HE21 GLN A 638 -2.000 -0.720 -7.412 1.00 0.00 H new ATOM 0 HE22 GLN A 638 -1.783 -1.479 -8.993 1.00 0.00 H new ATOM 415 N ARG A 639 -4.127 -2.357 -3.302 1.00 0.00 N ATOM 416 CA ARG A 639 -5.306 -3.133 -2.952 1.00 0.00 C ATOM 417 C ARG A 639 -6.454 -2.776 -3.890 1.00 0.00 C ATOM 418 O ARG A 639 -6.262 -2.012 -4.832 1.00 0.00 O ATOM 419 CB ARG A 639 -5.630 -2.939 -1.469 1.00 0.00 C ATOM 420 CG ARG A 639 -6.117 -1.541 -1.072 1.00 0.00 C ATOM 421 CD ARG A 639 -6.635 -1.682 0.355 1.00 0.00 C ATOM 422 NE ARG A 639 -6.838 -0.407 1.046 1.00 0.00 N ATOM 423 CZ ARG A 639 -7.105 -0.322 2.353 1.00 0.00 C ATOM 424 NH1 ARG A 639 -7.348 -1.413 3.075 1.00 0.00 N ATOM 425 NH2 ARG A 639 -7.125 0.863 2.944 1.00 0.00 N ATOM 0 H ARG A 639 -4.363 -1.464 -3.734 1.00 0.00 H new ATOM 0 HA ARG A 639 -5.123 -4.199 -3.087 1.00 0.00 H new ATOM 0 HB2 ARG A 639 -6.393 -3.664 -1.185 1.00 0.00 H new ATOM 0 HB3 ARG A 639 -4.738 -3.171 -0.888 1.00 0.00 H new ATOM 0 HG2 ARG A 639 -5.307 -0.813 -1.126 1.00 0.00 H new ATOM 0 HG3 ARG A 639 -6.903 -1.194 -1.743 1.00 0.00 H new ATOM 0 HD2 ARG A 639 -7.579 -2.227 0.335 1.00 0.00 H new ATOM 0 HD3 ARG A 639 -5.931 -2.285 0.928 1.00 0.00 H new ATOM 0 HE ARG A 639 -6.773 0.455 0.505 1.00 0.00 H new ATOM 0 HH11 ARG A 639 -7.332 -2.332 2.632 1.00 0.00 H new ATOM 0 HH12 ARG A 639 -7.550 -1.331 4.071 1.00 0.00 H new ATOM 0 HH21 ARG A 639 -6.937 1.706 2.402 1.00 0.00 H new ATOM 0 HH22 ARG A 639 -7.328 0.932 3.941 1.00 0.00 H new ATOM 439 N MET A 640 -7.653 -3.314 -3.658 1.00 0.00 N ATOM 440 CA MET A 640 -8.814 -3.054 -4.506 1.00 0.00 C ATOM 441 C MET A 640 -10.079 -2.918 -3.659 1.00 0.00 C ATOM 442 O MET A 640 -10.073 -3.177 -2.450 1.00 0.00 O ATOM 443 CB MET A 640 -8.977 -4.218 -5.509 1.00 0.00 C ATOM 444 CG MET A 640 -7.707 -4.556 -6.308 1.00 0.00 C ATOM 445 SD MET A 640 -7.862 -5.960 -7.447 1.00 0.00 S ATOM 446 CE MET A 640 -8.707 -5.159 -8.828 1.00 0.00 C ATOM 0 H MET A 640 -7.845 -3.942 -2.877 1.00 0.00 H new ATOM 0 HA MET A 640 -8.660 -2.119 -5.045 1.00 0.00 H new ATOM 0 HB2 MET A 640 -9.296 -5.107 -4.965 1.00 0.00 H new ATOM 0 HB3 MET A 640 -9.775 -3.969 -6.208 1.00 0.00 H new ATOM 0 HG2 MET A 640 -7.412 -3.676 -6.879 1.00 0.00 H new ATOM 0 HG3 MET A 640 -6.900 -4.766 -5.606 1.00 0.00 H new ATOM 0 HE1 MET A 640 -8.880 -5.887 -9.620 1.00 0.00 H new ATOM 0 HE2 MET A 640 -9.662 -4.759 -8.488 1.00 0.00 H new ATOM 0 HE3 MET A 640 -8.089 -4.346 -9.211 1.00 0.00 H new ATOM 456 N LEU A 641 -11.179 -2.505 -4.294 1.00 0.00 N ATOM 457 CA LEU A 641 -12.482 -2.375 -3.648 1.00 0.00 C ATOM 458 C LEU A 641 -12.886 -3.764 -3.193 1.00 0.00 C ATOM 459 O LEU A 641 -12.594 -4.768 -3.850 1.00 0.00 O ATOM 460 CB LEU A 641 -13.496 -1.801 -4.653 1.00 0.00 C ATOM 461 CG LEU A 641 -15.011 -2.014 -4.502 1.00 0.00 C ATOM 462 CD1 LEU A 641 -15.708 -0.910 -5.313 1.00 0.00 C ATOM 463 CD2 LEU A 641 -15.483 -3.365 -5.072 1.00 0.00 C ATOM 0 H LEU A 641 -11.187 -2.249 -5.281 1.00 0.00 H new ATOM 0 HA LEU A 641 -12.447 -1.697 -2.795 1.00 0.00 H new ATOM 0 HB2 LEU A 641 -13.333 -0.724 -4.682 1.00 0.00 H new ATOM 0 HB3 LEU A 641 -13.221 -2.191 -5.633 1.00 0.00 H new ATOM 0 HG LEU A 641 -15.252 -1.992 -3.439 1.00 0.00 H new ATOM 0 HD11 LEU A 641 -16.789 -1.026 -5.232 1.00 0.00 H new ATOM 0 HD12 LEU A 641 -15.417 0.066 -4.924 1.00 0.00 H new ATOM 0 HD13 LEU A 641 -15.413 -0.986 -6.360 1.00 0.00 H new ATOM 0 HD21 LEU A 641 -16.560 -3.460 -4.938 1.00 0.00 H new ATOM 0 HD22 LEU A 641 -15.244 -3.415 -6.134 1.00 0.00 H new ATOM 0 HD23 LEU A 641 -14.979 -4.177 -4.548 1.00 0.00 H new ATOM 475 N LYS A 642 -13.600 -3.835 -2.078 1.00 0.00 N ATOM 476 CA LYS A 642 -14.078 -5.088 -1.516 1.00 0.00 C ATOM 477 C LYS A 642 -15.582 -4.999 -1.286 1.00 0.00 C ATOM 478 O LYS A 642 -16.134 -5.859 -0.594 1.00 0.00 O ATOM 479 CB LYS A 642 -13.233 -5.368 -0.270 1.00 0.00 C ATOM 480 CG LYS A 642 -13.409 -6.716 0.442 1.00 0.00 C ATOM 481 CD LYS A 642 -13.265 -7.933 -0.478 1.00 0.00 C ATOM 482 CE LYS A 642 -11.870 -7.958 -1.104 1.00 0.00 C ATOM 483 NZ LYS A 642 -11.688 -9.094 -2.015 1.00 0.00 N ATOM 0 H LYS A 642 -13.866 -3.015 -1.533 1.00 0.00 H new ATOM 0 HA LYS A 642 -13.955 -5.940 -2.184 1.00 0.00 H new ATOM 0 HB2 LYS A 642 -12.184 -5.276 -0.552 1.00 0.00 H new ATOM 0 HB3 LYS A 642 -13.438 -4.580 0.455 1.00 0.00 H new ATOM 0 HG2 LYS A 642 -12.673 -6.790 1.243 1.00 0.00 H new ATOM 0 HG3 LYS A 642 -14.393 -6.742 0.910 1.00 0.00 H new ATOM 0 HD2 LYS A 642 -13.434 -8.849 0.089 1.00 0.00 H new ATOM 0 HD3 LYS A 642 -14.023 -7.898 -1.261 1.00 0.00 H new ATOM 0 HE2 LYS A 642 -11.702 -7.029 -1.648 1.00 0.00 H new ATOM 0 HE3 LYS A 642 -11.121 -8.005 -0.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 642 -10.728 -9.068 -2.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 642 -11.822 -9.983 -1.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 642 -12.385 -9.037 -2.785 1.00 0.00 H new ATOM 497 N SER A 643 -16.231 -3.946 -1.799 1.00 0.00 N ATOM 498 CA SER A 643 -17.668 -3.824 -1.616 1.00 0.00 C ATOM 499 C SER A 643 -18.371 -4.878 -2.490 1.00 0.00 C ATOM 500 O SER A 643 -17.734 -5.535 -3.324 1.00 0.00 O ATOM 501 CB SER A 643 -18.085 -2.377 -1.905 1.00 0.00 C ATOM 502 OG SER A 643 -17.931 -2.044 -3.264 1.00 0.00 O ATOM 0 H SER A 643 -15.793 -3.191 -2.327 1.00 0.00 H new ATOM 0 HA SER A 643 -17.970 -4.028 -0.589 1.00 0.00 H new ATOM 0 HB2 SER A 643 -19.125 -2.235 -1.613 1.00 0.00 H new ATOM 0 HB3 SER A 643 -17.487 -1.699 -1.296 1.00 0.00 H new ATOM 0 HG SER A 643 -18.209 -1.115 -3.407 1.00 0.00 H new ATOM 508 N LEU A 644 -19.678 -5.076 -2.298 1.00 0.00 N ATOM 509 CA LEU A 644 -20.446 -6.034 -3.084 1.00 0.00 C ATOM 510 C LEU A 644 -21.834 -5.519 -3.455 1.00 0.00 C ATOM 511 O LEU A 644 -22.435 -6.051 -4.383 1.00 0.00 O ATOM 512 CB LEU A 644 -20.552 -7.368 -2.329 1.00 0.00 C ATOM 513 CG LEU A 644 -21.662 -7.446 -1.261 1.00 0.00 C ATOM 514 CD1 LEU A 644 -21.775 -8.886 -0.760 1.00 0.00 C ATOM 515 CD2 LEU A 644 -21.442 -6.516 -0.069 1.00 0.00 C ATOM 0 H LEU A 644 -20.227 -4.578 -1.597 1.00 0.00 H new ATOM 0 HA LEU A 644 -19.909 -6.184 -4.021 1.00 0.00 H new ATOM 0 HB2 LEU A 644 -20.716 -8.164 -3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 644 -19.595 -7.569 -1.847 1.00 0.00 H new ATOM 0 HG LEU A 644 -22.582 -7.117 -1.745 1.00 0.00 H new ATOM 0 HD11 LEU A 644 -22.558 -8.948 -0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 644 -22.022 -9.543 -1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 644 -20.825 -9.195 -0.324 1.00 0.00 H new ATOM 0 HD21 LEU A 644 -22.264 -6.629 0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 644 -20.503 -6.771 0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 644 -21.401 -5.483 -0.416 1.00 0.00 H new ATOM 527 N ALA A 645 -22.334 -4.508 -2.742 1.00 0.00 N ATOM 528 CA ALA A 645 -23.639 -3.888 -2.913 1.00 0.00 C ATOM 529 C ALA A 645 -23.503 -2.375 -3.135 1.00 0.00 C ATOM 530 O ALA A 645 -24.409 -1.624 -2.765 1.00 0.00 O ATOM 531 CB ALA A 645 -24.472 -4.229 -1.669 1.00 0.00 C ATOM 0 H ALA A 645 -21.802 -4.078 -1.985 1.00 0.00 H new ATOM 0 HA ALA A 645 -24.142 -4.271 -3.801 1.00 0.00 H new ATOM 0 HB1 ALA A 645 -25.461 -3.780 -1.759 1.00 0.00 H new ATOM 0 HB2 ALA A 645 -24.571 -5.311 -1.583 1.00 0.00 H new ATOM 0 HB3 ALA A 645 -23.976 -3.838 -0.781 1.00 0.00 H new ATOM 537 N GLU A 646 -22.350 -1.931 -3.646 1.00 0.00 N ATOM 538 CA GLU A 646 -21.968 -0.553 -3.956 1.00 0.00 C ATOM 539 C GLU A 646 -22.417 0.439 -2.889 1.00 0.00 C ATOM 540 O GLU A 646 -23.403 1.171 -3.001 1.00 0.00 O ATOM 541 CB GLU A 646 -22.378 -0.168 -5.374 1.00 0.00 C ATOM 542 CG GLU A 646 -21.620 -1.069 -6.355 1.00 0.00 C ATOM 543 CD GLU A 646 -21.636 -0.540 -7.775 1.00 0.00 C ATOM 544 OE1 GLU A 646 -21.001 0.514 -8.017 1.00 0.00 O ATOM 545 OE2 GLU A 646 -22.184 -1.252 -8.644 1.00 0.00 O ATOM 0 H GLU A 646 -21.598 -2.583 -3.872 1.00 0.00 H new ATOM 0 HA GLU A 646 -20.879 -0.502 -3.933 1.00 0.00 H new ATOM 0 HB2 GLU A 646 -23.454 -0.286 -5.504 1.00 0.00 H new ATOM 0 HB3 GLU A 646 -22.147 0.880 -5.565 1.00 0.00 H new ATOM 0 HG2 GLU A 646 -20.587 -1.171 -6.022 1.00 0.00 H new ATOM 0 HG3 GLU A 646 -22.060 -2.066 -6.339 1.00 0.00 H new ATOM 552 N LEU A 647 -21.629 0.419 -1.823 1.00 0.00 N ATOM 553 CA LEU A 647 -21.738 1.216 -0.606 1.00 0.00 C ATOM 554 C LEU A 647 -21.677 2.728 -0.830 1.00 0.00 C ATOM 555 O LEU A 647 -21.902 3.484 0.118 1.00 0.00 O ATOM 556 CB LEU A 647 -20.670 0.749 0.393 1.00 0.00 C ATOM 557 CG LEU A 647 -19.212 0.786 -0.118 1.00 0.00 C ATOM 558 CD1 LEU A 647 -18.593 2.185 -0.193 1.00 0.00 C ATOM 559 CD2 LEU A 647 -18.384 -0.097 0.805 1.00 0.00 C ATOM 0 H LEU A 647 -20.827 -0.210 -1.783 1.00 0.00 H new ATOM 0 HA LEU A 647 -22.735 1.046 -0.200 1.00 0.00 H new ATOM 0 HB2 LEU A 647 -20.738 1.370 1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 647 -20.904 -0.272 0.696 1.00 0.00 H new ATOM 0 HG LEU A 647 -19.217 0.427 -1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 647 -17.570 2.111 -0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 647 -19.179 2.806 -0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 647 -18.589 2.635 0.800 1.00 0.00 H new ATOM 0 HD21 LEU A 647 -17.345 -0.096 0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 647 -18.441 0.287 1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 647 -18.772 -1.115 0.779 1.00 0.00 H new ATOM 571 N GLY A 648 -21.375 3.177 -2.048 1.00 0.00 N ATOM 572 CA GLY A 648 -21.280 4.567 -2.427 1.00 0.00 C ATOM 573 C GLY A 648 -20.104 4.715 -3.367 1.00 0.00 C ATOM 574 O GLY A 648 -20.206 4.321 -4.529 1.00 0.00 O ATOM 0 H GLY A 648 -21.183 2.545 -2.825 1.00 0.00 H new ATOM 0 HA2 GLY A 648 -22.200 4.893 -2.913 1.00 0.00 H new ATOM 0 HA3 GLY A 648 -21.145 5.194 -1.546 1.00 0.00 H new ATOM 578 N ASP A 649 -19.005 5.234 -2.824 1.00 0.00 N ATOM 579 CA ASP A 649 -17.702 5.534 -3.414 1.00 0.00 C ATOM 580 C ASP A 649 -17.088 6.628 -2.541 1.00 0.00 C ATOM 581 O ASP A 649 -17.588 7.755 -2.541 1.00 0.00 O ATOM 582 CB ASP A 649 -17.784 5.986 -4.881 1.00 0.00 C ATOM 583 CG ASP A 649 -16.531 6.742 -5.317 1.00 0.00 C ATOM 584 OD1 ASP A 649 -15.404 6.279 -5.010 1.00 0.00 O ATOM 585 OD2 ASP A 649 -16.708 7.817 -5.930 1.00 0.00 O ATOM 0 H ASP A 649 -19.008 5.486 -1.836 1.00 0.00 H new ATOM 0 HA ASP A 649 -17.092 4.631 -3.437 1.00 0.00 H new ATOM 0 HB2 ASP A 649 -17.923 5.115 -5.522 1.00 0.00 H new ATOM 0 HB3 ASP A 649 -18.658 6.624 -5.016 1.00 0.00 H new ATOM 590 N CYS A 650 -16.072 6.312 -1.734 1.00 0.00 N ATOM 591 CA CYS A 650 -15.448 7.308 -0.867 1.00 0.00 C ATOM 592 C CYS A 650 -14.305 8.054 -1.560 1.00 0.00 C ATOM 593 O CYS A 650 -13.677 8.895 -0.909 1.00 0.00 O ATOM 594 CB CYS A 650 -14.928 6.644 0.412 1.00 0.00 C ATOM 595 SG CYS A 650 -16.184 5.954 1.515 1.00 0.00 S ATOM 0 H CYS A 650 -15.667 5.378 -1.665 1.00 0.00 H new ATOM 0 HA CYS A 650 -16.217 8.041 -0.620 1.00 0.00 H new ATOM 0 HB2 CYS A 650 -14.242 5.845 0.130 1.00 0.00 H new ATOM 0 HB3 CYS A 650 -14.348 7.380 0.969 1.00 0.00 H new ATOM 600 N ASN A 651 -14.033 7.810 -2.849 1.00 0.00 N ATOM 601 CA ASN A 651 -12.940 8.446 -3.596 1.00 0.00 C ATOM 602 C ASN A 651 -11.618 8.227 -2.834 1.00 0.00 C ATOM 603 O ASN A 651 -10.793 9.132 -2.706 1.00 0.00 O ATOM 604 CB ASN A 651 -13.213 9.929 -3.916 1.00 0.00 C ATOM 605 CG ASN A 651 -14.469 10.151 -4.742 1.00 0.00 C ATOM 606 OD1 ASN A 651 -14.408 10.300 -5.959 1.00 0.00 O ATOM 607 ND2 ASN A 651 -15.625 10.223 -4.101 1.00 0.00 N ATOM 0 H ASN A 651 -14.575 7.154 -3.411 1.00 0.00 H new ATOM 0 HA ASN A 651 -12.862 7.970 -4.574 1.00 0.00 H new ATOM 0 HB2 ASN A 651 -13.300 10.484 -2.982 1.00 0.00 H new ATOM 0 HB3 ASN A 651 -12.358 10.340 -4.453 1.00 0.00 H new ATOM 0 HD21 ASN A 651 -16.485 10.405 -4.619 1.00 0.00 H new ATOM 0 HD22 ASN A 651 -15.656 10.096 -3.089 1.00 0.00 H new ATOM 614 N GLU A 652 -11.488 7.049 -2.218 1.00 0.00 N ATOM 615 CA GLU A 652 -10.363 6.582 -1.419 1.00 0.00 C ATOM 616 C GLU A 652 -9.224 6.059 -2.306 1.00 0.00 C ATOM 617 O GLU A 652 -9.424 5.847 -3.506 1.00 0.00 O ATOM 618 CB GLU A 652 -10.880 5.538 -0.408 1.00 0.00 C ATOM 619 CG GLU A 652 -11.431 4.219 -0.968 1.00 0.00 C ATOM 620 CD GLU A 652 -12.761 4.284 -1.724 1.00 0.00 C ATOM 621 OE1 GLU A 652 -12.760 4.666 -2.914 1.00 0.00 O ATOM 622 OE2 GLU A 652 -13.811 3.919 -1.148 1.00 0.00 O ATOM 0 H GLU A 652 -12.226 6.347 -2.272 1.00 0.00 H new ATOM 0 HA GLU A 652 -9.928 7.410 -0.859 1.00 0.00 H new ATOM 0 HB2 GLU A 652 -10.065 5.299 0.275 1.00 0.00 H new ATOM 0 HB3 GLU A 652 -11.666 6.005 0.186 1.00 0.00 H new ATOM 0 HG2 GLU A 652 -10.682 3.796 -1.637 1.00 0.00 H new ATOM 0 HG3 GLU A 652 -11.547 3.522 -0.138 1.00 0.00 H new ATOM 629 N ASP A 653 -8.032 5.843 -1.740 1.00 0.00 N ATOM 630 CA ASP A 653 -6.882 5.361 -2.506 1.00 0.00 C ATOM 631 C ASP A 653 -6.761 3.852 -2.447 1.00 0.00 C ATOM 632 O ASP A 653 -7.188 3.201 -1.485 1.00 0.00 O ATOM 633 CB ASP A 653 -5.558 5.901 -1.955 1.00 0.00 C ATOM 634 CG ASP A 653 -5.409 7.401 -2.098 1.00 0.00 C ATOM 635 OD1 ASP A 653 -5.463 7.904 -3.233 1.00 0.00 O ATOM 636 OD2 ASP A 653 -5.136 8.050 -1.057 1.00 0.00 O ATOM 0 H ASP A 653 -7.840 5.996 -0.750 1.00 0.00 H new ATOM 0 HA ASP A 653 -7.057 5.708 -3.524 1.00 0.00 H new ATOM 0 HB2 ASP A 653 -5.477 5.635 -0.901 1.00 0.00 H new ATOM 0 HB3 ASP A 653 -4.732 5.411 -2.471 1.00 0.00 H new ATOM 641 N LEU A 654 -6.063 3.317 -3.443 1.00 0.00 N ATOM 642 CA LEU A 654 -5.774 1.910 -3.621 1.00 0.00 C ATOM 643 C LEU A 654 -4.277 1.646 -3.521 1.00 0.00 C ATOM 644 O LEU A 654 -3.913 0.481 -3.444 1.00 0.00 O ATOM 645 CB LEU A 654 -6.322 1.427 -4.970 1.00 0.00 C ATOM 646 CG LEU A 654 -7.856 1.418 -5.063 1.00 0.00 C ATOM 647 CD1 LEU A 654 -8.254 0.817 -6.408 1.00 0.00 C ATOM 648 CD2 LEU A 654 -8.545 0.647 -3.928 1.00 0.00 C ATOM 0 H LEU A 654 -5.664 3.891 -4.186 1.00 0.00 H new ATOM 0 HA LEU A 654 -6.265 1.352 -2.824 1.00 0.00 H new ATOM 0 HB2 LEU A 654 -5.926 2.065 -5.760 1.00 0.00 H new ATOM 0 HB3 LEU A 654 -5.952 0.419 -5.159 1.00 0.00 H new ATOM 0 HG LEU A 654 -8.191 2.451 -4.968 1.00 0.00 H new ATOM 0 HD11 LEU A 654 -9.341 0.802 -6.493 1.00 0.00 H new ATOM 0 HD12 LEU A 654 -7.835 1.420 -7.214 1.00 0.00 H new ATOM 0 HD13 LEU A 654 -7.871 -0.201 -6.479 1.00 0.00 H new ATOM 0 HD21 LEU A 654 -9.626 0.687 -4.065 1.00 0.00 H new ATOM 0 HD22 LEU A 654 -8.216 -0.392 -3.942 1.00 0.00 H new ATOM 0 HD23 LEU A 654 -8.283 1.098 -2.971 1.00 0.00 H new ATOM 660 N GLU A 655 -3.411 2.666 -3.483 1.00 0.00 N ATOM 661 CA GLU A 655 -1.957 2.532 -3.369 1.00 0.00 C ATOM 662 C GLU A 655 -1.454 3.275 -2.121 1.00 0.00 C ATOM 663 O GLU A 655 -1.990 4.324 -1.746 1.00 0.00 O ATOM 664 CB GLU A 655 -1.244 3.048 -4.639 1.00 0.00 C ATOM 665 CG GLU A 655 0.289 3.088 -4.452 1.00 0.00 C ATOM 666 CD GLU A 655 1.083 3.281 -5.739 1.00 0.00 C ATOM 667 OE1 GLU A 655 1.213 4.434 -6.205 1.00 0.00 O ATOM 668 OE2 GLU A 655 1.652 2.283 -6.237 1.00 0.00 O ATOM 0 H GLU A 655 -3.715 3.638 -3.533 1.00 0.00 H new ATOM 0 HA GLU A 655 -1.719 1.473 -3.267 1.00 0.00 H new ATOM 0 HB2 GLU A 655 -1.492 2.405 -5.483 1.00 0.00 H new ATOM 0 HB3 GLU A 655 -1.608 4.046 -4.881 1.00 0.00 H new ATOM 0 HG2 GLU A 655 0.536 3.896 -3.764 1.00 0.00 H new ATOM 0 HG3 GLU A 655 0.608 2.159 -3.980 1.00 0.00 H new ATOM 675 N GLN A 656 -0.397 2.734 -1.513 1.00 0.00 N ATOM 676 CA GLN A 656 0.320 3.219 -0.340 1.00 0.00 C ATOM 677 C GLN A 656 1.816 3.130 -0.637 1.00 0.00 C ATOM 678 O GLN A 656 2.235 2.339 -1.487 1.00 0.00 O ATOM 679 CB GLN A 656 -0.017 2.354 0.880 1.00 0.00 C ATOM 680 CG GLN A 656 -1.148 2.963 1.706 1.00 0.00 C ATOM 681 CD GLN A 656 -0.731 4.136 2.589 1.00 0.00 C ATOM 682 OE1 GLN A 656 -1.366 5.184 2.582 1.00 0.00 O ATOM 683 NE2 GLN A 656 0.283 3.979 3.427 1.00 0.00 N ATOM 0 H GLN A 656 0.013 1.868 -1.863 1.00 0.00 H new ATOM 0 HA GLN A 656 0.032 4.247 -0.121 1.00 0.00 H new ATOM 0 HB2 GLN A 656 -0.303 1.355 0.551 1.00 0.00 H new ATOM 0 HB3 GLN A 656 0.870 2.242 1.503 1.00 0.00 H new ATOM 0 HG2 GLN A 656 -1.935 3.297 1.030 1.00 0.00 H new ATOM 0 HG3 GLN A 656 -1.578 2.185 2.337 1.00 0.00 H new ATOM 0 HE21 GLN A 656 0.810 3.106 3.431 1.00 0.00 H new ATOM 0 HE22 GLN A 656 0.536 4.731 4.068 1.00 0.00 H new ATOM 692 N ALA A 657 2.616 3.891 0.110 1.00 0.00 N ATOM 693 CA ALA A 657 4.067 3.990 0.015 1.00 0.00 C ATOM 694 C ALA A 657 4.693 4.025 1.412 1.00 0.00 C ATOM 695 O ALA A 657 4.040 4.404 2.387 1.00 0.00 O ATOM 696 CB ALA A 657 4.434 5.266 -0.755 1.00 0.00 C ATOM 0 H ALA A 657 2.241 4.492 0.844 1.00 0.00 H new ATOM 0 HA ALA A 657 4.453 3.118 -0.513 1.00 0.00 H new ATOM 0 HB1 ALA A 657 5.518 5.347 -0.830 1.00 0.00 H new ATOM 0 HB2 ALA A 657 4.003 5.224 -1.755 1.00 0.00 H new ATOM 0 HB3 ALA A 657 4.041 6.135 -0.227 1.00 0.00 H new ATOM 702 N GLU A 658 5.954 3.601 1.526 1.00 0.00 N ATOM 703 CA GLU A 658 6.677 3.581 2.791 1.00 0.00 C ATOM 704 C GLU A 658 8.170 3.749 2.524 1.00 0.00 C ATOM 705 O GLU A 658 8.733 3.081 1.651 1.00 0.00 O ATOM 706 CB GLU A 658 6.394 2.262 3.533 1.00 0.00 C ATOM 707 CG GLU A 658 6.958 2.200 4.958 1.00 0.00 C ATOM 708 CD GLU A 658 6.094 2.992 5.939 1.00 0.00 C ATOM 709 OE1 GLU A 658 5.997 4.236 5.810 1.00 0.00 O ATOM 710 OE2 GLU A 658 5.500 2.372 6.847 1.00 0.00 O ATOM 0 H GLU A 658 6.502 3.261 0.736 1.00 0.00 H new ATOM 0 HA GLU A 658 6.342 4.404 3.422 1.00 0.00 H new ATOM 0 HB2 GLU A 658 5.316 2.108 3.576 1.00 0.00 H new ATOM 0 HB3 GLU A 658 6.811 1.438 2.955 1.00 0.00 H new ATOM 0 HG2 GLU A 658 7.018 1.161 5.282 1.00 0.00 H new ATOM 0 HG3 GLU A 658 7.974 2.595 4.966 1.00 0.00 H new ATOM 717 N LYS A 659 8.828 4.646 3.261 1.00 0.00 N ATOM 718 CA LYS A 659 10.246 4.902 3.120 1.00 0.00 C ATOM 719 C LYS A 659 11.027 3.686 3.592 1.00 0.00 C ATOM 720 O LYS A 659 10.758 3.115 4.655 1.00 0.00 O ATOM 721 CB LYS A 659 10.655 6.191 3.865 1.00 0.00 C ATOM 722 CG LYS A 659 10.544 6.141 5.404 1.00 0.00 C ATOM 723 CD LYS A 659 10.739 7.521 6.048 1.00 0.00 C ATOM 724 CE LYS A 659 12.215 7.943 6.094 1.00 0.00 C ATOM 725 NZ LYS A 659 12.872 7.603 7.374 1.00 0.00 N ATOM 0 H LYS A 659 8.379 5.216 3.977 1.00 0.00 H new ATOM 0 HA LYS A 659 10.483 5.069 2.069 1.00 0.00 H new ATOM 0 HB2 LYS A 659 11.685 6.429 3.601 1.00 0.00 H new ATOM 0 HB3 LYS A 659 10.035 7.011 3.501 1.00 0.00 H new ATOM 0 HG2 LYS A 659 9.567 5.747 5.683 1.00 0.00 H new ATOM 0 HG3 LYS A 659 11.290 5.450 5.797 1.00 0.00 H new ATOM 0 HD2 LYS A 659 10.169 8.263 5.489 1.00 0.00 H new ATOM 0 HD3 LYS A 659 10.337 7.506 7.061 1.00 0.00 H new ATOM 0 HE2 LYS A 659 12.751 7.460 5.277 1.00 0.00 H new ATOM 0 HE3 LYS A 659 12.285 9.018 5.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 659 13.865 7.911 7.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 659 12.381 8.084 8.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 659 12.833 6.574 7.522 1.00 0.00 H new ATOM 739 N CYS A 660 11.980 3.270 2.776 1.00 0.00 N ATOM 740 CA CYS A 660 12.875 2.166 3.038 1.00 0.00 C ATOM 741 C CYS A 660 14.205 2.661 2.489 1.00 0.00 C ATOM 742 O CYS A 660 14.226 3.403 1.506 1.00 0.00 O ATOM 743 CB CYS A 660 12.367 0.843 2.427 1.00 0.00 C ATOM 744 SG CYS A 660 12.070 0.747 0.640 1.00 0.00 S ATOM 0 H CYS A 660 12.155 3.715 1.875 1.00 0.00 H new ATOM 0 HA CYS A 660 12.959 1.905 4.093 1.00 0.00 H new ATOM 0 HB2 CYS A 660 13.088 0.066 2.681 1.00 0.00 H new ATOM 0 HB3 CYS A 660 11.433 0.588 2.928 1.00 0.00 H new ATOM 749 N MET A 661 15.312 2.421 3.171 1.00 0.00 N ATOM 750 CA MET A 661 16.607 2.850 2.696 1.00 0.00 C ATOM 751 C MET A 661 17.599 1.828 3.182 1.00 0.00 C ATOM 752 O MET A 661 17.782 1.621 4.389 1.00 0.00 O ATOM 753 CB MET A 661 17.020 4.288 3.060 1.00 0.00 C ATOM 754 CG MET A 661 16.587 4.851 4.413 1.00 0.00 C ATOM 755 SD MET A 661 14.831 5.291 4.571 1.00 0.00 S ATOM 756 CE MET A 661 14.501 4.463 6.132 1.00 0.00 C ATOM 0 H MET A 661 15.334 1.926 4.063 1.00 0.00 H new ATOM 0 HA MET A 661 16.569 2.902 1.608 1.00 0.00 H new ATOM 0 HB2 MET A 661 18.108 4.343 3.011 1.00 0.00 H new ATOM 0 HB3 MET A 661 16.632 4.950 2.286 1.00 0.00 H new ATOM 0 HG2 MET A 661 16.827 4.118 5.183 1.00 0.00 H new ATOM 0 HG3 MET A 661 17.183 5.739 4.622 1.00 0.00 H new ATOM 0 HE1 MET A 661 13.458 4.614 6.411 1.00 0.00 H new ATOM 0 HE2 MET A 661 14.697 3.396 6.027 1.00 0.00 H new ATOM 0 HE3 MET A 661 15.147 4.876 6.907 1.00 0.00 H new ATOM 766 N LEU A 662 18.142 1.115 2.207 1.00 0.00 N ATOM 767 CA LEU A 662 19.155 0.097 2.460 1.00 0.00 C ATOM 768 C LEU A 662 20.433 0.813 2.935 1.00 0.00 C ATOM 769 O LEU A 662 20.534 2.042 2.794 1.00 0.00 O ATOM 770 CB LEU A 662 19.411 -0.690 1.167 1.00 0.00 C ATOM 771 CG LEU A 662 18.572 -1.948 0.900 1.00 0.00 C ATOM 772 CD1 LEU A 662 19.039 -3.128 1.738 1.00 0.00 C ATOM 773 CD2 LEU A 662 17.074 -1.721 1.085 1.00 0.00 C ATOM 0 H LEU A 662 17.896 1.223 1.223 1.00 0.00 H new ATOM 0 HA LEU A 662 18.828 -0.607 3.225 1.00 0.00 H new ATOM 0 HB2 LEU A 662 19.264 -0.009 0.329 1.00 0.00 H new ATOM 0 HB3 LEU A 662 20.461 -0.983 1.159 1.00 0.00 H new ATOM 0 HG LEU A 662 18.731 -2.187 -0.152 1.00 0.00 H new ATOM 0 HD11 LEU A 662 18.419 -3.998 1.519 1.00 0.00 H new ATOM 0 HD12 LEU A 662 20.079 -3.354 1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 662 18.954 -2.879 2.796 1.00 0.00 H new ATOM 0 HD21 LEU A 662 16.538 -2.648 0.881 1.00 0.00 H new ATOM 0 HD22 LEU A 662 16.878 -1.406 2.110 1.00 0.00 H new ATOM 0 HD23 LEU A 662 16.735 -0.947 0.396 1.00 0.00 H new ATOM 785 N PRO A 663 21.412 0.092 3.504 1.00 0.00 N ATOM 786 CA PRO A 663 22.658 0.698 3.951 1.00 0.00 C ATOM 787 C PRO A 663 23.464 1.163 2.735 1.00 0.00 C ATOM 788 O PRO A 663 23.010 1.032 1.607 1.00 0.00 O ATOM 789 CB PRO A 663 23.375 -0.400 4.740 1.00 0.00 C ATOM 790 CG PRO A 663 22.880 -1.683 4.074 1.00 0.00 C ATOM 791 CD PRO A 663 21.433 -1.344 3.737 1.00 0.00 C ATOM 0 HA PRO A 663 22.510 1.580 4.574 1.00 0.00 H new ATOM 0 HB2 PRO A 663 24.459 -0.303 4.673 1.00 0.00 H new ATOM 0 HB3 PRO A 663 23.117 -0.370 5.799 1.00 0.00 H new ATOM 0 HG2 PRO A 663 23.458 -1.926 3.182 1.00 0.00 H new ATOM 0 HG3 PRO A 663 22.950 -2.541 4.743 1.00 0.00 H new ATOM 0 HD2 PRO A 663 21.098 -1.889 2.855 1.00 0.00 H new ATOM 0 HD3 PRO A 663 20.766 -1.618 4.554 1.00 0.00 H new ATOM 799 N GLU A 664 24.608 1.816 2.908 1.00 0.00 N ATOM 800 CA GLU A 664 25.414 2.226 1.754 1.00 0.00 C ATOM 801 C GLU A 664 25.982 0.955 1.119 1.00 0.00 C ATOM 802 O GLU A 664 26.314 0.004 1.839 1.00 0.00 O ATOM 803 CB GLU A 664 26.545 3.201 2.128 1.00 0.00 C ATOM 804 CG GLU A 664 27.343 2.795 3.373 1.00 0.00 C ATOM 805 CD GLU A 664 26.706 3.241 4.700 1.00 0.00 C ATOM 806 OE1 GLU A 664 25.568 3.778 4.729 1.00 0.00 O ATOM 807 OE2 GLU A 664 27.353 3.061 5.756 1.00 0.00 O ATOM 0 H GLU A 664 24.996 2.071 3.816 1.00 0.00 H new ATOM 0 HA GLU A 664 24.780 2.769 1.053 1.00 0.00 H new ATOM 0 HB2 GLU A 664 27.229 3.286 1.284 1.00 0.00 H new ATOM 0 HB3 GLU A 664 26.117 4.190 2.292 1.00 0.00 H new ATOM 0 HG2 GLU A 664 27.455 1.711 3.382 1.00 0.00 H new ATOM 0 HG3 GLU A 664 28.345 3.218 3.303 1.00 0.00 H new ATOM 814 N CYS A 665 26.042 0.914 -0.213 1.00 0.00 N ATOM 815 CA CYS A 665 26.599 -0.264 -0.877 1.00 0.00 C ATOM 816 C CYS A 665 28.103 -0.266 -0.605 1.00 0.00 C ATOM 817 O CYS A 665 28.699 0.818 -0.586 1.00 0.00 O ATOM 818 CB CYS A 665 26.429 -0.257 -2.405 1.00 0.00 C ATOM 819 SG CYS A 665 24.862 -0.832 -3.102 1.00 0.00 S ATOM 0 H CYS A 665 25.723 1.656 -0.836 1.00 0.00 H new ATOM 0 HA CYS A 665 26.069 -1.134 -0.488 1.00 0.00 H new ATOM 0 HB2 CYS A 665 26.591 0.763 -2.752 1.00 0.00 H new ATOM 0 HB3 CYS A 665 27.225 -0.869 -2.830 1.00 0.00 H new ATOM 824 N PRO A 666 28.733 -1.434 -0.421 1.00 0.00 N ATOM 825 CA PRO A 666 30.165 -1.498 -0.199 1.00 0.00 C ATOM 826 C PRO A 666 30.840 -1.138 -1.527 1.00 0.00 C ATOM 827 O PRO A 666 30.410 -1.687 -2.571 1.00 0.00 O ATOM 828 CB PRO A 666 30.446 -2.929 0.262 1.00 0.00 C ATOM 829 CG PRO A 666 29.306 -3.747 -0.349 1.00 0.00 C ATOM 830 CD PRO A 666 28.139 -2.762 -0.414 1.00 0.00 C ATOM 0 HA PRO A 666 30.546 -0.809 0.555 1.00 0.00 H new ATOM 0 HB2 PRO A 666 31.418 -3.277 -0.087 1.00 0.00 H new ATOM 0 HB3 PRO A 666 30.452 -3.004 1.349 1.00 0.00 H new ATOM 0 HG2 PRO A 666 29.569 -4.121 -1.339 1.00 0.00 H new ATOM 0 HG3 PRO A 666 29.063 -4.614 0.265 1.00 0.00 H new ATOM 0 HD2 PRO A 666 27.540 -2.926 -1.310 1.00 0.00 H new ATOM 0 HD3 PRO A 666 27.475 -2.888 0.441 1.00 0.00 H new TER 838 PRO A 666