USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 391 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 618 SER OG : rot 180:sc= 0 USER MOD Single : A 621 SER OG : rot 180:sc= 0 USER MOD Single : A 624 SER OG : rot 180:sc= 0 USER MOD Single : A 627 SER OG : rot 180:sc= 0 USER MOD Single : A 629 THR OG1 : rot 180:sc= 0 USER MOD Single : A 632 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 634 MET CE :methyl -122:sc= -0.304 (180deg=-0.33) USER MOD Single : A 636 THR OG1 : rot 180:sc= 0 USER MOD Single : A 638 GLN : amide:sc= -0.769 X(o=-0.77,f=-0.77) 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 90:sc= 0.216 USER MOD Single : A 651 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 656 GLN : amide:sc= 1.1 K(o=1.1,f=-1.7) USER MOD Single : A 659 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 661 MET CE :methyl 172:sc= -0.0746 (180deg=-0.201) USER MOD ----------------------------------------------------------------- ATOM 38 N PRO A 614 -20.471 2.949 5.116 1.00 0.00 N ATOM 39 CA PRO A 614 -19.047 2.934 5.380 1.00 0.00 C ATOM 40 C PRO A 614 -18.247 2.509 4.138 1.00 0.00 C ATOM 41 O PRO A 614 -18.769 1.825 3.252 1.00 0.00 O ATOM 42 CB PRO A 614 -18.883 1.927 6.506 1.00 0.00 C ATOM 43 CG PRO A 614 -19.980 0.903 6.235 1.00 0.00 C ATOM 44 CD PRO A 614 -21.115 1.782 5.719 1.00 0.00 C ATOM 0 HA PRO A 614 -18.670 3.922 5.645 1.00 0.00 H new ATOM 0 HB2 PRO A 614 -17.894 1.468 6.493 1.00 0.00 H new ATOM 0 HB3 PRO A 614 -19.004 2.395 7.483 1.00 0.00 H new ATOM 0 HG2 PRO A 614 -19.672 0.161 5.499 1.00 0.00 H new ATOM 0 HG3 PRO A 614 -20.263 0.360 7.137 1.00 0.00 H new ATOM 0 HD2 PRO A 614 -21.722 1.248 4.987 1.00 0.00 H new ATOM 0 HD3 PRO A 614 -21.781 2.078 6.530 1.00 0.00 H new ATOM 52 N CYS A 615 -16.959 2.865 4.093 1.00 0.00 N ATOM 53 CA CYS A 615 -16.059 2.525 2.995 1.00 0.00 C ATOM 54 C CYS A 615 -15.622 1.065 3.181 1.00 0.00 C ATOM 55 O CYS A 615 -14.593 0.792 3.798 1.00 0.00 O ATOM 56 CB CYS A 615 -14.845 3.470 2.980 1.00 0.00 C ATOM 57 SG CYS A 615 -15.207 5.230 3.207 1.00 0.00 S ATOM 0 H CYS A 615 -16.509 3.406 4.832 1.00 0.00 H new ATOM 0 HA CYS A 615 -16.566 2.640 2.037 1.00 0.00 H new ATOM 0 HB2 CYS A 615 -14.156 3.157 3.764 1.00 0.00 H new ATOM 0 HB3 CYS A 615 -14.325 3.346 2.030 1.00 0.00 H new ATOM 62 N LEU A 616 -16.404 0.110 2.680 1.00 0.00 N ATOM 63 CA LEU A 616 -16.116 -1.316 2.802 1.00 0.00 C ATOM 64 C LEU A 616 -14.901 -1.701 1.940 1.00 0.00 C ATOM 65 O LEU A 616 -15.019 -1.985 0.744 1.00 0.00 O ATOM 66 CB LEU A 616 -17.399 -2.113 2.502 1.00 0.00 C ATOM 67 CG LEU A 616 -17.490 -3.485 3.190 1.00 0.00 C ATOM 68 CD1 LEU A 616 -16.344 -4.403 2.782 1.00 0.00 C ATOM 69 CD2 LEU A 616 -17.567 -3.377 4.717 1.00 0.00 C ATOM 0 H LEU A 616 -17.266 0.309 2.172 1.00 0.00 H new ATOM 0 HA LEU A 616 -15.823 -1.570 3.821 1.00 0.00 H new ATOM 0 HB2 LEU A 616 -18.259 -1.515 2.804 1.00 0.00 H new ATOM 0 HB3 LEU A 616 -17.474 -2.258 1.424 1.00 0.00 H new ATOM 0 HG LEU A 616 -18.424 -3.928 2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 616 -16.447 -5.361 3.291 1.00 0.00 H new ATOM 0 HD12 LEU A 616 -16.370 -4.560 1.704 1.00 0.00 H new ATOM 0 HD13 LEU A 616 -15.395 -3.945 3.059 1.00 0.00 H new ATOM 0 HD21 LEU A 616 -17.630 -4.375 5.150 1.00 0.00 H new ATOM 0 HD22 LEU A 616 -16.675 -2.874 5.092 1.00 0.00 H new ATOM 0 HD23 LEU A 616 -18.451 -2.804 4.997 1.00 0.00 H new ATOM 81 N LEU A 617 -13.722 -1.737 2.568 1.00 0.00 N ATOM 82 CA LEU A 617 -12.427 -2.042 1.958 1.00 0.00 C ATOM 83 C LEU A 617 -11.737 -3.205 2.658 1.00 0.00 C ATOM 84 O LEU A 617 -11.955 -3.423 3.858 1.00 0.00 O ATOM 85 CB LEU A 617 -11.519 -0.808 2.108 1.00 0.00 C ATOM 86 CG LEU A 617 -11.973 0.383 1.247 1.00 0.00 C ATOM 87 CD1 LEU A 617 -11.689 1.709 1.962 1.00 0.00 C ATOM 88 CD2 LEU A 617 -11.273 0.332 -0.114 1.00 0.00 C ATOM 0 H LEU A 617 -13.642 -1.544 3.566 1.00 0.00 H new ATOM 0 HA LEU A 617 -12.597 -2.306 0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 617 -11.498 -0.505 3.155 1.00 0.00 H new ATOM 0 HB3 LEU A 617 -10.499 -1.079 1.834 1.00 0.00 H new ATOM 0 HG LEU A 617 -13.050 0.317 1.089 1.00 0.00 H new ATOM 0 HD11 LEU A 617 -12.018 2.538 1.335 1.00 0.00 H new ATOM 0 HD12 LEU A 617 -12.228 1.734 2.909 1.00 0.00 H new ATOM 0 HD13 LEU A 617 -10.619 1.799 2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 617 -11.597 1.177 -0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 617 -10.194 0.381 0.030 1.00 0.00 H new ATOM 0 HD23 LEU A 617 -11.530 -0.598 -0.620 1.00 0.00 H new ATOM 100 N SER A 618 -10.903 -3.935 1.915 1.00 0.00 N ATOM 101 CA SER A 618 -10.135 -5.062 2.428 1.00 0.00 C ATOM 102 C SER A 618 -8.852 -4.561 3.109 1.00 0.00 C ATOM 103 O SER A 618 -8.453 -3.406 2.900 1.00 0.00 O ATOM 104 CB SER A 618 -9.771 -5.997 1.264 1.00 0.00 C ATOM 105 OG SER A 618 -10.891 -6.785 0.897 1.00 0.00 O ATOM 0 H SER A 618 -10.742 -3.754 0.924 1.00 0.00 H new ATOM 0 HA SER A 618 -10.734 -5.602 3.161 1.00 0.00 H new ATOM 0 HB2 SER A 618 -9.435 -5.410 0.409 1.00 0.00 H new ATOM 0 HB3 SER A 618 -8.942 -6.643 1.553 1.00 0.00 H new ATOM 0 HG SER A 618 -10.646 -7.375 0.154 1.00 0.00 H new ATOM 111 N PRO A 619 -8.222 -5.382 3.973 1.00 0.00 N ATOM 112 CA PRO A 619 -6.967 -5.007 4.604 1.00 0.00 C ATOM 113 C PRO A 619 -5.914 -5.009 3.485 1.00 0.00 C ATOM 114 O PRO A 619 -6.172 -5.477 2.370 1.00 0.00 O ATOM 115 CB PRO A 619 -6.708 -6.076 5.665 1.00 0.00 C ATOM 116 CG PRO A 619 -7.356 -7.320 5.058 1.00 0.00 C ATOM 117 CD PRO A 619 -8.573 -6.750 4.333 1.00 0.00 C ATOM 0 HA PRO A 619 -6.958 -4.028 5.082 1.00 0.00 H new ATOM 0 HB2 PRO A 619 -5.642 -6.221 5.842 1.00 0.00 H new ATOM 0 HB3 PRO A 619 -7.157 -5.813 6.623 1.00 0.00 H new ATOM 0 HG2 PRO A 619 -6.681 -7.834 4.373 1.00 0.00 H new ATOM 0 HG3 PRO A 619 -7.643 -8.041 5.824 1.00 0.00 H new ATOM 0 HD2 PRO A 619 -8.810 -7.338 3.446 1.00 0.00 H new ATOM 0 HD3 PRO A 619 -9.454 -6.771 4.974 1.00 0.00 H new ATOM 125 N TRP A 620 -4.727 -4.482 3.752 1.00 0.00 N ATOM 126 CA TRP A 620 -3.713 -4.437 2.715 1.00 0.00 C ATOM 127 C TRP A 620 -2.941 -5.744 2.579 1.00 0.00 C ATOM 128 O TRP A 620 -2.790 -6.517 3.533 1.00 0.00 O ATOM 129 CB TRP A 620 -2.764 -3.271 2.974 1.00 0.00 C ATOM 130 CG TRP A 620 -3.371 -1.906 2.943 1.00 0.00 C ATOM 131 CD1 TRP A 620 -4.156 -1.384 3.906 1.00 0.00 C ATOM 132 CD2 TRP A 620 -3.279 -0.879 1.912 1.00 0.00 C ATOM 133 NE1 TRP A 620 -4.501 -0.094 3.584 1.00 0.00 N ATOM 134 CE2 TRP A 620 -4.024 0.259 2.346 1.00 0.00 C ATOM 135 CE3 TRP A 620 -2.658 -0.799 0.649 1.00 0.00 C ATOM 136 CZ2 TRP A 620 -4.149 1.416 1.570 1.00 0.00 C ATOM 137 CZ3 TRP A 620 -2.779 0.362 -0.136 1.00 0.00 C ATOM 138 CH2 TRP A 620 -3.532 1.465 0.312 1.00 0.00 C ATOM 0 H TRP A 620 -4.450 -4.091 4.652 1.00 0.00 H new ATOM 0 HA TRP A 620 -4.226 -4.289 1.765 1.00 0.00 H new ATOM 0 HB2 TRP A 620 -2.300 -3.417 3.949 1.00 0.00 H new ATOM 0 HB3 TRP A 620 -1.966 -3.308 2.233 1.00 0.00 H new ATOM 0 HD1 TRP A 620 -4.468 -1.904 4.800 1.00 0.00 H new ATOM 0 HE1 TRP A 620 -5.043 0.524 4.188 1.00 0.00 H new ATOM 0 HE3 TRP A 620 -2.084 -1.637 0.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 620 -4.714 2.261 1.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 620 -2.287 0.408 -1.096 1.00 0.00 H new ATOM 0 HH2 TRP A 620 -3.633 2.342 -0.309 1.00 0.00 H new ATOM 149 N SER A 621 -2.435 -5.978 1.365 1.00 0.00 N ATOM 150 CA SER A 621 -1.636 -7.150 1.072 1.00 0.00 C ATOM 151 C SER A 621 -0.280 -6.979 1.769 1.00 0.00 C ATOM 152 O SER A 621 0.050 -5.913 2.304 1.00 0.00 O ATOM 153 CB SER A 621 -1.454 -7.266 -0.444 1.00 0.00 C ATOM 154 OG SER A 621 -2.671 -7.596 -1.082 1.00 0.00 O ATOM 0 H SER A 621 -2.572 -5.358 0.567 1.00 0.00 H new ATOM 0 HA SER A 621 -2.121 -8.058 1.430 1.00 0.00 H new ATOM 0 HB2 SER A 621 -1.077 -6.323 -0.841 1.00 0.00 H new ATOM 0 HB3 SER A 621 -0.706 -8.027 -0.666 1.00 0.00 H new ATOM 0 HG SER A 621 -2.526 -7.662 -2.049 1.00 0.00 H new ATOM 160 N GLU A 622 0.527 -8.033 1.803 1.00 0.00 N ATOM 161 CA GLU A 622 1.837 -7.937 2.428 1.00 0.00 C ATOM 162 C GLU A 622 2.802 -7.245 1.486 1.00 0.00 C ATOM 163 O GLU A 622 2.802 -7.486 0.275 1.00 0.00 O ATOM 164 CB GLU A 622 2.353 -9.276 2.918 1.00 0.00 C ATOM 165 CG GLU A 622 2.370 -10.388 1.876 1.00 0.00 C ATOM 166 CD GLU A 622 2.479 -11.772 2.517 1.00 0.00 C ATOM 167 OE1 GLU A 622 2.378 -11.889 3.763 1.00 0.00 O ATOM 168 OE2 GLU A 622 2.729 -12.744 1.768 1.00 0.00 O ATOM 0 H GLU A 622 0.302 -8.948 1.412 1.00 0.00 H new ATOM 0 HA GLU A 622 1.743 -7.329 3.327 1.00 0.00 H new ATOM 0 HB2 GLU A 622 3.366 -9.140 3.297 1.00 0.00 H new ATOM 0 HB3 GLU A 622 1.739 -9.598 3.759 1.00 0.00 H new ATOM 0 HG2 GLU A 622 1.461 -10.337 1.276 1.00 0.00 H new ATOM 0 HG3 GLU A 622 3.209 -10.236 1.197 1.00 0.00 H new ATOM 175 N TRP A 623 3.600 -6.365 2.076 1.00 0.00 N ATOM 176 CA TRP A 623 4.587 -5.551 1.396 1.00 0.00 C ATOM 177 C TRP A 623 5.576 -6.383 0.595 1.00 0.00 C ATOM 178 O TRP A 623 6.109 -7.388 1.069 1.00 0.00 O ATOM 179 CB TRP A 623 5.382 -4.695 2.381 1.00 0.00 C ATOM 180 CG TRP A 623 4.639 -3.581 3.050 1.00 0.00 C ATOM 181 CD1 TRP A 623 4.077 -3.594 4.280 1.00 0.00 C ATOM 182 CD2 TRP A 623 4.429 -2.235 2.535 1.00 0.00 C ATOM 183 NE1 TRP A 623 3.556 -2.346 4.564 1.00 0.00 N ATOM 184 CE2 TRP A 623 3.746 -1.462 3.521 1.00 0.00 C ATOM 185 CE3 TRP A 623 4.797 -1.581 1.341 1.00 0.00 C ATOM 186 CZ2 TRP A 623 3.411 -0.111 3.312 1.00 0.00 C ATOM 187 CZ3 TRP A 623 4.494 -0.232 1.150 1.00 0.00 C ATOM 188 CH2 TRP A 623 3.779 0.496 2.097 1.00 0.00 C ATOM 0 H TRP A 623 3.573 -6.195 3.081 1.00 0.00 H new ATOM 0 HA TRP A 623 4.020 -4.915 0.716 1.00 0.00 H new ATOM 0 HB2 TRP A 623 5.784 -5.350 3.154 1.00 0.00 H new ATOM 0 HB3 TRP A 623 6.233 -4.267 1.851 1.00 0.00 H new ATOM 0 HD1 TRP A 623 4.041 -4.449 4.939 1.00 0.00 H new ATOM 0 HE1 TRP A 623 3.088 -2.107 5.438 1.00 0.00 H new ATOM 0 HE3 TRP A 623 5.317 -2.128 0.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 623 2.882 0.449 4.069 1.00 0.00 H new ATOM 0 HZ3 TRP A 623 4.822 0.259 0.246 1.00 0.00 H new ATOM 0 HH2 TRP A 623 3.508 1.523 1.900 1.00 0.00 H new ATOM 199 N SER A 624 5.817 -5.884 -0.605 1.00 0.00 N ATOM 200 CA SER A 624 6.721 -6.387 -1.615 1.00 0.00 C ATOM 201 C SER A 624 8.151 -5.928 -1.273 1.00 0.00 C ATOM 202 O SER A 624 8.409 -5.458 -0.155 1.00 0.00 O ATOM 203 CB SER A 624 6.222 -5.736 -2.903 1.00 0.00 C ATOM 204 OG SER A 624 4.870 -6.102 -3.175 1.00 0.00 O ATOM 0 H SER A 624 5.340 -5.040 -0.922 1.00 0.00 H new ATOM 0 HA SER A 624 6.745 -7.474 -1.693 1.00 0.00 H new ATOM 0 HB2 SER A 624 6.298 -4.652 -2.819 1.00 0.00 H new ATOM 0 HB3 SER A 624 6.858 -6.037 -3.736 1.00 0.00 H new ATOM 0 HG SER A 624 4.575 -5.670 -4.004 1.00 0.00 H new ATOM 210 N ASP A 625 9.095 -6.125 -2.195 1.00 0.00 N ATOM 211 CA ASP A 625 10.485 -5.707 -2.006 1.00 0.00 C ATOM 212 C ASP A 625 10.570 -4.185 -2.195 1.00 0.00 C ATOM 213 O ASP A 625 9.615 -3.548 -2.651 1.00 0.00 O ATOM 214 CB ASP A 625 11.408 -6.444 -2.991 1.00 0.00 C ATOM 215 CG ASP A 625 12.904 -6.344 -2.656 1.00 0.00 C ATOM 216 OD1 ASP A 625 13.277 -5.896 -1.545 1.00 0.00 O ATOM 217 OD2 ASP A 625 13.705 -6.824 -3.491 1.00 0.00 O ATOM 0 H ASP A 625 8.918 -6.578 -3.092 1.00 0.00 H new ATOM 0 HA ASP A 625 10.817 -5.962 -0.999 1.00 0.00 H new ATOM 0 HB2 ASP A 625 11.124 -7.496 -3.018 1.00 0.00 H new ATOM 0 HB3 ASP A 625 11.245 -6.044 -3.992 1.00 0.00 H new ATOM 222 N CYS A 626 11.692 -3.574 -1.822 1.00 0.00 N ATOM 223 CA CYS A 626 11.866 -2.141 -1.972 1.00 0.00 C ATOM 224 C CYS A 626 12.313 -1.820 -3.401 1.00 0.00 C ATOM 225 O CYS A 626 12.950 -2.620 -4.095 1.00 0.00 O ATOM 226 CB CYS A 626 12.800 -1.609 -0.874 1.00 0.00 C ATOM 227 SG CYS A 626 12.029 -1.834 0.758 1.00 0.00 S ATOM 0 H CYS A 626 12.493 -4.055 -1.413 1.00 0.00 H new ATOM 0 HA CYS A 626 10.920 -1.618 -1.832 1.00 0.00 H new ATOM 0 HB2 CYS A 626 13.754 -2.134 -0.910 1.00 0.00 H new ATOM 0 HB3 CYS A 626 13.011 -0.553 -1.044 1.00 0.00 H new ATOM 232 N SER A 627 12.018 -0.595 -3.831 1.00 0.00 N ATOM 233 CA SER A 627 12.329 -0.030 -5.138 1.00 0.00 C ATOM 234 C SER A 627 13.845 0.207 -5.309 1.00 0.00 C ATOM 235 O SER A 627 14.276 0.726 -6.338 1.00 0.00 O ATOM 236 CB SER A 627 11.484 1.256 -5.275 1.00 0.00 C ATOM 237 OG SER A 627 11.324 1.731 -6.598 1.00 0.00 O ATOM 0 H SER A 627 11.524 0.070 -3.236 1.00 0.00 H new ATOM 0 HA SER A 627 12.073 -0.720 -5.942 1.00 0.00 H new ATOM 0 HB2 SER A 627 10.497 1.071 -4.850 1.00 0.00 H new ATOM 0 HB3 SER A 627 11.946 2.041 -4.677 1.00 0.00 H new ATOM 0 HG SER A 627 10.777 2.544 -6.590 1.00 0.00 H new ATOM 243 N VAL A 628 14.687 -0.140 -4.327 1.00 0.00 N ATOM 244 CA VAL A 628 16.133 0.030 -4.372 1.00 0.00 C ATOM 245 C VAL A 628 16.785 -1.029 -3.487 1.00 0.00 C ATOM 246 O VAL A 628 16.129 -1.524 -2.568 1.00 0.00 O ATOM 247 CB VAL A 628 16.479 1.456 -3.878 1.00 0.00 C ATOM 248 CG1 VAL A 628 16.783 1.572 -2.371 1.00 0.00 C ATOM 249 CG2 VAL A 628 17.671 2.007 -4.639 1.00 0.00 C ATOM 0 H VAL A 628 14.364 -0.559 -3.455 1.00 0.00 H new ATOM 0 HA VAL A 628 16.507 -0.091 -5.389 1.00 0.00 H new ATOM 0 HB VAL A 628 15.573 2.032 -4.065 1.00 0.00 H new ATOM 0 HG11 VAL A 628 17.013 2.609 -2.125 1.00 0.00 H new ATOM 0 HG12 VAL A 628 15.914 1.248 -1.799 1.00 0.00 H new ATOM 0 HG13 VAL A 628 17.637 0.942 -2.123 1.00 0.00 H new ATOM 0 HG21 VAL A 628 17.900 3.010 -4.279 1.00 0.00 H new ATOM 0 HG22 VAL A 628 18.534 1.359 -4.483 1.00 0.00 H new ATOM 0 HG23 VAL A 628 17.436 2.048 -5.703 1.00 0.00 H new ATOM 259 N THR A 629 18.067 -1.318 -3.727 1.00 0.00 N ATOM 260 CA THR A 629 18.825 -2.274 -2.919 1.00 0.00 C ATOM 261 C THR A 629 19.669 -1.520 -1.885 1.00 0.00 C ATOM 262 O THR A 629 20.003 -2.077 -0.843 1.00 0.00 O ATOM 263 CB THR A 629 19.795 -3.125 -3.754 1.00 0.00 C ATOM 264 OG1 THR A 629 19.412 -3.265 -5.107 1.00 0.00 O ATOM 265 CG2 THR A 629 19.958 -4.503 -3.116 1.00 0.00 C ATOM 0 H THR A 629 18.606 -0.897 -4.484 1.00 0.00 H new ATOM 0 HA THR A 629 18.090 -2.929 -2.453 1.00 0.00 H new ATOM 0 HB THR A 629 20.745 -2.590 -3.758 1.00 0.00 H new ATOM 0 HG1 THR A 629 20.072 -3.815 -5.579 1.00 0.00 H new ATOM 0 HG21 THR A 629 20.647 -5.101 -3.713 1.00 0.00 H new ATOM 0 HG22 THR A 629 20.355 -4.392 -2.107 1.00 0.00 H new ATOM 0 HG23 THR A 629 18.989 -5.001 -3.073 1.00 0.00 H new ATOM 273 N CYS A 630 20.027 -0.262 -2.173 1.00 0.00 N ATOM 274 CA CYS A 630 20.828 0.573 -1.306 1.00 0.00 C ATOM 275 C CYS A 630 20.483 2.046 -1.462 1.00 0.00 C ATOM 276 O CYS A 630 20.096 2.496 -2.547 1.00 0.00 O ATOM 277 CB CYS A 630 22.315 0.412 -1.619 1.00 0.00 C ATOM 278 SG CYS A 630 22.745 0.491 -3.373 1.00 0.00 S ATOM 0 H CYS A 630 19.755 0.203 -3.039 1.00 0.00 H new ATOM 0 HA CYS A 630 20.612 0.252 -0.287 1.00 0.00 H new ATOM 0 HB2 CYS A 630 22.867 1.189 -1.091 1.00 0.00 H new ATOM 0 HB3 CYS A 630 22.652 -0.545 -1.221 1.00 0.00 H new ATOM 283 N GLY A 631 20.739 2.796 -0.395 1.00 0.00 N ATOM 284 CA GLY A 631 20.512 4.222 -0.297 1.00 0.00 C ATOM 285 C GLY A 631 19.040 4.590 -0.427 1.00 0.00 C ATOM 286 O GLY A 631 18.156 3.812 -0.057 1.00 0.00 O ATOM 0 H GLY A 631 21.128 2.402 0.461 1.00 0.00 H new ATOM 0 HA2 GLY A 631 20.890 4.582 0.660 1.00 0.00 H new ATOM 0 HA3 GLY A 631 21.080 4.731 -1.075 1.00 0.00 H new ATOM 290 N LYS A 632 18.775 5.801 -0.929 1.00 0.00 N ATOM 291 CA LYS A 632 17.433 6.356 -1.116 1.00 0.00 C ATOM 292 C LYS A 632 16.500 5.344 -1.763 1.00 0.00 C ATOM 293 O LYS A 632 16.809 4.815 -2.831 1.00 0.00 O ATOM 294 CB LYS A 632 17.498 7.661 -1.921 1.00 0.00 C ATOM 295 CG LYS A 632 17.778 7.453 -3.423 1.00 0.00 C ATOM 296 CD LYS A 632 18.228 8.729 -4.115 1.00 0.00 C ATOM 297 CE LYS A 632 19.695 8.969 -3.777 1.00 0.00 C ATOM 298 NZ LYS A 632 20.111 10.316 -4.213 1.00 0.00 N ATOM 0 H LYS A 632 19.512 6.440 -1.225 1.00 0.00 H new ATOM 0 HA LYS A 632 17.020 6.588 -0.134 1.00 0.00 H new ATOM 0 HB2 LYS A 632 16.554 8.194 -1.807 1.00 0.00 H new ATOM 0 HB3 LYS A 632 18.276 8.298 -1.501 1.00 0.00 H new ATOM 0 HG2 LYS A 632 18.546 6.689 -3.543 1.00 0.00 H new ATOM 0 HG3 LYS A 632 16.877 7.079 -3.909 1.00 0.00 H new ATOM 0 HD2 LYS A 632 18.097 8.642 -5.194 1.00 0.00 H new ATOM 0 HD3 LYS A 632 17.621 9.573 -3.787 1.00 0.00 H new ATOM 0 HE2 LYS A 632 19.849 8.864 -2.703 1.00 0.00 H new ATOM 0 HE3 LYS A 632 20.315 8.215 -4.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 632 21.113 10.464 -3.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 632 19.982 10.403 -5.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 632 19.531 11.032 -3.730 1.00 0.00 H new ATOM 312 N GLY A 633 15.363 5.064 -1.137 1.00 0.00 N ATOM 313 CA GLY A 633 14.417 4.111 -1.677 1.00 0.00 C ATOM 314 C GLY A 633 13.156 4.057 -0.841 1.00 0.00 C ATOM 315 O GLY A 633 13.129 4.494 0.316 1.00 0.00 O ATOM 0 H GLY A 633 15.079 5.487 -0.254 1.00 0.00 H new ATOM 0 HA2 GLY A 633 14.166 4.385 -2.702 1.00 0.00 H new ATOM 0 HA3 GLY A 633 14.874 3.122 -1.714 1.00 0.00 H new ATOM 319 N MET A 634 12.120 3.466 -1.419 1.00 0.00 N ATOM 320 CA MET A 634 10.798 3.293 -0.843 1.00 0.00 C ATOM 321 C MET A 634 10.225 1.970 -1.341 1.00 0.00 C ATOM 322 O MET A 634 10.784 1.371 -2.258 1.00 0.00 O ATOM 323 CB MET A 634 9.906 4.454 -1.322 1.00 0.00 C ATOM 324 CG MET A 634 10.404 5.815 -0.820 1.00 0.00 C ATOM 325 SD MET A 634 9.314 7.221 -1.127 1.00 0.00 S ATOM 326 CE MET A 634 7.889 6.814 -0.081 1.00 0.00 C ATOM 0 H MET A 634 12.186 3.072 -2.358 1.00 0.00 H new ATOM 0 HA MET A 634 10.845 3.287 0.246 1.00 0.00 H new ATOM 0 HB2 MET A 634 9.875 4.460 -2.412 1.00 0.00 H new ATOM 0 HB3 MET A 634 8.885 4.292 -0.975 1.00 0.00 H new ATOM 0 HG2 MET A 634 10.577 5.743 0.254 1.00 0.00 H new ATOM 0 HG3 MET A 634 11.368 6.020 -1.285 1.00 0.00 H new ATOM 0 HE1 MET A 634 6.990 6.762 -0.695 1.00 0.00 H new ATOM 0 HE2 MET A 634 8.055 5.851 0.402 1.00 0.00 H new ATOM 0 HE3 MET A 634 7.764 7.584 0.680 1.00 0.00 H new ATOM 336 N ARG A 635 9.147 1.497 -0.726 1.00 0.00 N ATOM 337 CA ARG A 635 8.428 0.281 -1.091 1.00 0.00 C ATOM 338 C ARG A 635 6.978 0.686 -1.341 1.00 0.00 C ATOM 339 O ARG A 635 6.554 1.747 -0.867 1.00 0.00 O ATOM 340 CB ARG A 635 8.501 -0.772 0.027 1.00 0.00 C ATOM 341 CG ARG A 635 8.030 -0.220 1.381 1.00 0.00 C ATOM 342 CD ARG A 635 7.938 -1.285 2.467 1.00 0.00 C ATOM 343 NE ARG A 635 9.274 -1.731 2.873 1.00 0.00 N ATOM 344 CZ ARG A 635 9.683 -3.007 2.962 1.00 0.00 C ATOM 345 NH1 ARG A 635 8.989 -3.998 2.413 1.00 0.00 N ATOM 346 NH2 ARG A 635 10.799 -3.317 3.598 1.00 0.00 N ATOM 0 H ARG A 635 8.732 1.971 0.076 1.00 0.00 H new ATOM 0 HA ARG A 635 8.875 -0.170 -1.977 1.00 0.00 H new ATOM 0 HB2 ARG A 635 7.888 -1.631 -0.246 1.00 0.00 H new ATOM 0 HB3 ARG A 635 9.527 -1.129 0.120 1.00 0.00 H new ATOM 0 HG2 ARG A 635 8.717 0.562 1.706 1.00 0.00 H new ATOM 0 HG3 ARG A 635 7.053 0.246 1.255 1.00 0.00 H new ATOM 0 HD2 ARG A 635 7.405 -0.886 3.330 1.00 0.00 H new ATOM 0 HD3 ARG A 635 7.361 -2.135 2.101 1.00 0.00 H new ATOM 0 HE ARG A 635 9.953 -1.008 3.109 1.00 0.00 H new ATOM 0 HH11 ARG A 635 8.125 -3.798 1.910 1.00 0.00 H new ATOM 0 HH12 ARG A 635 9.321 -4.959 2.494 1.00 0.00 H new ATOM 0 HH21 ARG A 635 11.361 -2.583 4.029 1.00 0.00 H new ATOM 0 HH22 ARG A 635 11.098 -4.290 3.658 1.00 0.00 H new ATOM 360 N THR A 636 6.200 -0.161 -2.000 1.00 0.00 N ATOM 361 CA THR A 636 4.792 0.078 -2.279 1.00 0.00 C ATOM 362 C THR A 636 4.034 -1.251 -2.100 1.00 0.00 C ATOM 363 O THR A 636 4.649 -2.320 -1.981 1.00 0.00 O ATOM 364 CB THR A 636 4.586 0.738 -3.642 1.00 0.00 C ATOM 365 OG1 THR A 636 5.132 -0.041 -4.685 1.00 0.00 O ATOM 366 CG2 THR A 636 5.201 2.133 -3.780 1.00 0.00 C ATOM 0 H THR A 636 6.538 -1.052 -2.363 1.00 0.00 H new ATOM 0 HA THR A 636 4.380 0.798 -1.572 1.00 0.00 H new ATOM 0 HB THR A 636 3.502 0.823 -3.716 1.00 0.00 H new ATOM 0 HG1 THR A 636 4.981 0.409 -5.543 1.00 0.00 H new ATOM 0 HG21 THR A 636 5.004 2.520 -4.780 1.00 0.00 H new ATOM 0 HG22 THR A 636 4.760 2.800 -3.039 1.00 0.00 H new ATOM 0 HG23 THR A 636 6.278 2.073 -3.620 1.00 0.00 H new ATOM 374 N ARG A 637 2.716 -1.180 -1.934 1.00 0.00 N ATOM 375 CA ARG A 637 1.793 -2.297 -1.773 1.00 0.00 C ATOM 376 C ARG A 637 0.428 -1.769 -2.194 1.00 0.00 C ATOM 377 O ARG A 637 0.197 -0.553 -2.175 1.00 0.00 O ATOM 378 CB ARG A 637 1.760 -2.914 -0.349 1.00 0.00 C ATOM 379 CG ARG A 637 1.195 -2.038 0.782 1.00 0.00 C ATOM 380 CD ARG A 637 0.806 -2.815 2.035 1.00 0.00 C ATOM 381 NE ARG A 637 0.327 -2.002 3.183 1.00 0.00 N ATOM 382 CZ ARG A 637 0.088 -0.690 3.382 1.00 0.00 C ATOM 383 NH1 ARG A 637 0.182 0.247 2.451 1.00 0.00 N ATOM 384 NH2 ARG A 637 -0.243 -0.297 4.604 1.00 0.00 N ATOM 0 H ARG A 637 2.234 -0.281 -1.907 1.00 0.00 H new ATOM 0 HA ARG A 637 2.125 -3.131 -2.391 1.00 0.00 H new ATOM 0 HB2 ARG A 637 1.173 -3.831 -0.392 1.00 0.00 H new ATOM 0 HB3 ARG A 637 2.777 -3.199 -0.080 1.00 0.00 H new ATOM 0 HG2 ARG A 637 1.937 -1.286 1.050 1.00 0.00 H new ATOM 0 HG3 ARG A 637 0.319 -1.505 0.411 1.00 0.00 H new ATOM 0 HD2 ARG A 637 0.025 -3.527 1.769 1.00 0.00 H new ATOM 0 HD3 ARG A 637 1.669 -3.395 2.361 1.00 0.00 H new ATOM 0 HE ARG A 637 0.135 -2.566 4.011 1.00 0.00 H new ATOM 0 HH11 ARG A 637 0.453 -0.004 1.500 1.00 0.00 H new ATOM 0 HH12 ARG A 637 -0.016 1.220 2.685 1.00 0.00 H new ATOM 0 HH21 ARG A 637 -0.310 -0.980 5.359 1.00 0.00 H new ATOM 0 HH22 ARG A 637 -0.431 0.688 4.790 1.00 0.00 H new ATOM 398 N GLN A 638 -0.481 -2.683 -2.506 1.00 0.00 N ATOM 399 CA GLN A 638 -1.828 -2.351 -2.921 1.00 0.00 C ATOM 400 C GLN A 638 -2.831 -3.258 -2.213 1.00 0.00 C ATOM 401 O GLN A 638 -2.460 -4.096 -1.381 1.00 0.00 O ATOM 402 CB GLN A 638 -1.921 -2.366 -4.461 1.00 0.00 C ATOM 403 CG GLN A 638 -1.467 -3.653 -5.169 1.00 0.00 C ATOM 404 CD GLN A 638 -2.380 -4.841 -4.874 1.00 0.00 C ATOM 405 OE1 GLN A 638 -3.560 -4.841 -5.198 1.00 0.00 O ATOM 406 NE2 GLN A 638 -1.878 -5.875 -4.226 1.00 0.00 N ATOM 0 H GLN A 638 -0.297 -3.686 -2.476 1.00 0.00 H new ATOM 0 HA GLN A 638 -2.087 -1.336 -2.619 1.00 0.00 H new ATOM 0 HB2 GLN A 638 -2.956 -2.171 -4.741 1.00 0.00 H new ATOM 0 HB3 GLN A 638 -1.325 -1.538 -4.846 1.00 0.00 H new ATOM 0 HG2 GLN A 638 -1.438 -3.480 -6.245 1.00 0.00 H new ATOM 0 HG3 GLN A 638 -0.451 -3.895 -4.858 1.00 0.00 H new ATOM 0 HE21 GLN A 638 -0.895 -5.878 -3.954 1.00 0.00 H new ATOM 0 HE22 GLN A 638 -2.473 -6.671 -3.997 1.00 0.00 H new ATOM 415 N ARG A 639 -4.107 -3.035 -2.506 1.00 0.00 N ATOM 416 CA ARG A 639 -5.256 -3.759 -1.990 1.00 0.00 C ATOM 417 C ARG A 639 -6.423 -3.541 -2.944 1.00 0.00 C ATOM 418 O ARG A 639 -6.300 -2.803 -3.924 1.00 0.00 O ATOM 419 CB ARG A 639 -5.600 -3.266 -0.579 1.00 0.00 C ATOM 420 CG ARG A 639 -6.053 -1.802 -0.514 1.00 0.00 C ATOM 421 CD ARG A 639 -6.736 -1.569 0.828 1.00 0.00 C ATOM 422 NE ARG A 639 -7.060 -0.155 1.048 1.00 0.00 N ATOM 423 CZ ARG A 639 -7.620 0.317 2.161 1.00 0.00 C ATOM 424 NH1 ARG A 639 -8.070 -0.525 3.090 1.00 0.00 N ATOM 425 NH2 ARG A 639 -7.717 1.629 2.327 1.00 0.00 N ATOM 0 H ARG A 639 -4.381 -2.295 -3.152 1.00 0.00 H new ATOM 0 HA ARG A 639 -5.035 -4.824 -1.922 1.00 0.00 H new ATOM 0 HB2 ARG A 639 -6.389 -3.897 -0.169 1.00 0.00 H new ATOM 0 HB3 ARG A 639 -4.726 -3.392 0.060 1.00 0.00 H new ATOM 0 HG2 ARG A 639 -5.198 -1.135 -0.625 1.00 0.00 H new ATOM 0 HG3 ARG A 639 -6.739 -1.580 -1.332 1.00 0.00 H new ATOM 0 HD2 ARG A 639 -7.650 -2.161 0.876 1.00 0.00 H new ATOM 0 HD3 ARG A 639 -6.086 -1.920 1.630 1.00 0.00 H new ATOM 0 HE ARG A 639 -6.843 0.507 0.303 1.00 0.00 H new ATOM 0 HH11 ARG A 639 -7.986 -1.532 2.950 1.00 0.00 H new ATOM 0 HH12 ARG A 639 -8.499 -0.163 3.942 1.00 0.00 H new ATOM 0 HH21 ARG A 639 -7.365 2.261 1.608 1.00 0.00 H new ATOM 0 HH22 ARG A 639 -8.143 2.006 3.174 1.00 0.00 H new ATOM 439 N MET A 640 -7.571 -4.131 -2.636 1.00 0.00 N ATOM 440 CA MET A 640 -8.796 -4.031 -3.416 1.00 0.00 C ATOM 441 C MET A 640 -9.940 -3.651 -2.484 1.00 0.00 C ATOM 442 O MET A 640 -9.836 -3.747 -1.254 1.00 0.00 O ATOM 443 CB MET A 640 -9.093 -5.394 -4.071 1.00 0.00 C ATOM 444 CG MET A 640 -8.017 -5.859 -5.061 1.00 0.00 C ATOM 445 SD MET A 640 -8.092 -7.624 -5.486 1.00 0.00 S ATOM 446 CE MET A 640 -9.578 -7.661 -6.501 1.00 0.00 C ATOM 0 H MET A 640 -7.677 -4.713 -1.805 1.00 0.00 H new ATOM 0 HA MET A 640 -8.686 -3.274 -4.193 1.00 0.00 H new ATOM 0 HB2 MET A 640 -9.201 -6.145 -3.289 1.00 0.00 H new ATOM 0 HB3 MET A 640 -10.049 -5.335 -4.591 1.00 0.00 H new ATOM 0 HG2 MET A 640 -8.107 -5.274 -5.976 1.00 0.00 H new ATOM 0 HG3 MET A 640 -7.036 -5.642 -4.639 1.00 0.00 H new ATOM 0 HE1 MET A 640 -9.761 -8.680 -6.841 1.00 0.00 H new ATOM 0 HE2 MET A 640 -10.429 -7.316 -5.913 1.00 0.00 H new ATOM 0 HE3 MET A 640 -9.445 -7.009 -7.364 1.00 0.00 H new ATOM 456 N LEU A 641 -11.021 -3.136 -3.064 1.00 0.00 N ATOM 457 CA LEU A 641 -12.204 -2.793 -2.292 1.00 0.00 C ATOM 458 C LEU A 641 -12.939 -4.101 -2.005 1.00 0.00 C ATOM 459 O LEU A 641 -12.639 -5.119 -2.632 1.00 0.00 O ATOM 460 CB LEU A 641 -13.094 -1.783 -3.039 1.00 0.00 C ATOM 461 CG LEU A 641 -14.076 -2.380 -4.076 1.00 0.00 C ATOM 462 CD1 LEU A 641 -15.097 -1.335 -4.515 1.00 0.00 C ATOM 463 CD2 LEU A 641 -13.352 -2.942 -5.298 1.00 0.00 C ATOM 0 H LEU A 641 -11.099 -2.949 -4.064 1.00 0.00 H new ATOM 0 HA LEU A 641 -11.928 -2.302 -1.359 1.00 0.00 H new ATOM 0 HB2 LEU A 641 -13.671 -1.223 -2.303 1.00 0.00 H new ATOM 0 HB3 LEU A 641 -12.449 -1.068 -3.549 1.00 0.00 H new ATOM 0 HG LEU A 641 -14.592 -3.205 -3.585 1.00 0.00 H new ATOM 0 HD11 LEU A 641 -15.778 -1.775 -5.244 1.00 0.00 H new ATOM 0 HD12 LEU A 641 -15.664 -0.994 -3.649 1.00 0.00 H new ATOM 0 HD13 LEU A 641 -14.580 -0.488 -4.966 1.00 0.00 H new ATOM 0 HD21 LEU A 641 -14.082 -3.350 -5.998 1.00 0.00 H new ATOM 0 HD22 LEU A 641 -12.788 -2.146 -5.785 1.00 0.00 H new ATOM 0 HD23 LEU A 641 -12.669 -3.732 -4.985 1.00 0.00 H new ATOM 475 N LYS A 642 -13.901 -4.095 -1.077 1.00 0.00 N ATOM 476 CA LYS A 642 -14.677 -5.301 -0.797 1.00 0.00 C ATOM 477 C LYS A 642 -16.181 -5.045 -0.869 1.00 0.00 C ATOM 478 O LYS A 642 -16.973 -5.924 -0.523 1.00 0.00 O ATOM 479 CB LYS A 642 -14.188 -6.053 0.451 1.00 0.00 C ATOM 480 CG LYS A 642 -13.871 -7.528 0.159 1.00 0.00 C ATOM 481 CD LYS A 642 -15.082 -8.424 -0.172 1.00 0.00 C ATOM 482 CE LYS A 642 -15.434 -8.370 -1.666 1.00 0.00 C ATOM 483 NZ LYS A 642 -16.750 -8.931 -1.984 1.00 0.00 N ATOM 0 H LYS A 642 -14.156 -3.282 -0.517 1.00 0.00 H new ATOM 0 HA LYS A 642 -14.486 -6.009 -1.603 1.00 0.00 H new ATOM 0 HB2 LYS A 642 -13.296 -5.563 0.841 1.00 0.00 H new ATOM 0 HB3 LYS A 642 -14.950 -5.995 1.229 1.00 0.00 H new ATOM 0 HG2 LYS A 642 -13.172 -7.571 -0.677 1.00 0.00 H new ATOM 0 HG3 LYS A 642 -13.359 -7.948 1.025 1.00 0.00 H new ATOM 0 HD2 LYS A 642 -14.863 -9.453 0.114 1.00 0.00 H new ATOM 0 HD3 LYS A 642 -15.942 -8.106 0.417 1.00 0.00 H new ATOM 0 HE2 LYS A 642 -15.401 -7.333 -2.000 1.00 0.00 H new ATOM 0 HE3 LYS A 642 -14.673 -8.911 -2.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 642 -16.919 -8.861 -3.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 642 -16.780 -9.930 -1.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 642 -17.486 -8.401 -1.474 1.00 0.00 H new ATOM 497 N SER A 643 -16.590 -3.835 -1.249 1.00 0.00 N ATOM 498 CA SER A 643 -17.984 -3.486 -1.397 1.00 0.00 C ATOM 499 C SER A 643 -18.432 -4.251 -2.636 1.00 0.00 C ATOM 500 O SER A 643 -18.035 -3.897 -3.745 1.00 0.00 O ATOM 501 CB SER A 643 -18.124 -1.968 -1.573 1.00 0.00 C ATOM 502 OG SER A 643 -19.425 -1.569 -1.968 1.00 0.00 O ATOM 0 H SER A 643 -15.950 -3.070 -1.462 1.00 0.00 H new ATOM 0 HA SER A 643 -18.593 -3.744 -0.530 1.00 0.00 H new ATOM 0 HB2 SER A 643 -17.869 -1.475 -0.635 1.00 0.00 H new ATOM 0 HB3 SER A 643 -17.405 -1.627 -2.318 1.00 0.00 H new ATOM 0 HG SER A 643 -19.971 -1.398 -1.172 1.00 0.00 H new ATOM 508 N LEU A 644 -19.237 -5.301 -2.465 1.00 0.00 N ATOM 509 CA LEU A 644 -19.750 -6.102 -3.573 1.00 0.00 C ATOM 510 C LEU A 644 -20.634 -5.270 -4.509 1.00 0.00 C ATOM 511 O LEU A 644 -20.961 -5.720 -5.602 1.00 0.00 O ATOM 512 CB LEU A 644 -20.483 -7.352 -3.056 1.00 0.00 C ATOM 513 CG LEU A 644 -21.836 -7.129 -2.349 1.00 0.00 C ATOM 514 CD1 LEU A 644 -22.391 -8.481 -1.891 1.00 0.00 C ATOM 515 CD2 LEU A 644 -21.764 -6.223 -1.115 1.00 0.00 C ATOM 0 H LEU A 644 -19.552 -5.620 -1.549 1.00 0.00 H new ATOM 0 HA LEU A 644 -18.897 -6.441 -4.161 1.00 0.00 H new ATOM 0 HB2 LEU A 644 -20.648 -8.021 -3.900 1.00 0.00 H new ATOM 0 HB3 LEU A 644 -19.820 -7.871 -2.363 1.00 0.00 H new ATOM 0 HG LEU A 644 -22.473 -6.634 -3.082 1.00 0.00 H new ATOM 0 HD11 LEU A 644 -23.347 -8.331 -1.390 1.00 0.00 H new ATOM 0 HD12 LEU A 644 -22.532 -9.128 -2.756 1.00 0.00 H new ATOM 0 HD13 LEU A 644 -21.689 -8.947 -1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 644 -22.758 -6.120 -0.680 1.00 0.00 H new ATOM 0 HD22 LEU A 644 -21.090 -6.663 -0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 644 -21.392 -5.241 -1.406 1.00 0.00 H new ATOM 527 N ALA A 645 -21.065 -4.080 -4.081 1.00 0.00 N ATOM 528 CA ALA A 645 -21.879 -3.155 -4.854 1.00 0.00 C ATOM 529 C ALA A 645 -21.005 -2.056 -5.470 1.00 0.00 C ATOM 530 O ALA A 645 -21.527 -1.185 -6.162 1.00 0.00 O ATOM 531 CB ALA A 645 -22.923 -2.535 -3.939 1.00 0.00 C ATOM 0 H ALA A 645 -20.845 -3.727 -3.150 1.00 0.00 H new ATOM 0 HA ALA A 645 -22.369 -3.696 -5.664 1.00 0.00 H new ATOM 0 HB1 ALA A 645 -23.539 -1.839 -4.509 1.00 0.00 H new ATOM 0 HB2 ALA A 645 -23.553 -3.320 -3.522 1.00 0.00 H new ATOM 0 HB3 ALA A 645 -22.426 -2.000 -3.130 1.00 0.00 H new ATOM 537 N GLU A 646 -19.695 -2.085 -5.216 1.00 0.00 N ATOM 538 CA GLU A 646 -18.681 -1.152 -5.681 1.00 0.00 C ATOM 539 C GLU A 646 -19.150 0.283 -5.470 1.00 0.00 C ATOM 540 O GLU A 646 -19.322 1.053 -6.416 1.00 0.00 O ATOM 541 CB GLU A 646 -18.264 -1.471 -7.119 1.00 0.00 C ATOM 542 CG GLU A 646 -17.864 -2.946 -7.314 1.00 0.00 C ATOM 543 CD GLU A 646 -17.525 -3.273 -8.764 1.00 0.00 C ATOM 544 OE1 GLU A 646 -17.239 -2.360 -9.572 1.00 0.00 O ATOM 545 OE2 GLU A 646 -17.479 -4.474 -9.117 1.00 0.00 O ATOM 0 H GLU A 646 -19.291 -2.820 -4.635 1.00 0.00 H new ATOM 0 HA GLU A 646 -17.775 -1.265 -5.086 1.00 0.00 H new ATOM 0 HB2 GLU A 646 -19.087 -1.231 -7.792 1.00 0.00 H new ATOM 0 HB3 GLU A 646 -17.426 -0.832 -7.399 1.00 0.00 H new ATOM 0 HG2 GLU A 646 -17.004 -3.172 -6.683 1.00 0.00 H new ATOM 0 HG3 GLU A 646 -18.680 -3.587 -6.982 1.00 0.00 H new ATOM 552 N LEU A 647 -19.328 0.620 -4.189 1.00 0.00 N ATOM 553 CA LEU A 647 -19.793 1.912 -3.704 1.00 0.00 C ATOM 554 C LEU A 647 -19.243 3.121 -4.444 1.00 0.00 C ATOM 555 O LEU A 647 -20.042 3.959 -4.852 1.00 0.00 O ATOM 556 CB LEU A 647 -19.683 2.030 -2.171 1.00 0.00 C ATOM 557 CG LEU A 647 -18.310 1.817 -1.489 1.00 0.00 C ATOM 558 CD1 LEU A 647 -17.478 3.096 -1.322 1.00 0.00 C ATOM 559 CD2 LEU A 647 -18.520 1.271 -0.073 1.00 0.00 C ATOM 0 H LEU A 647 -19.141 -0.036 -3.430 1.00 0.00 H new ATOM 0 HA LEU A 647 -20.855 1.934 -3.951 1.00 0.00 H new ATOM 0 HB2 LEU A 647 -20.036 3.023 -1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 647 -20.379 1.312 -1.737 1.00 0.00 H new ATOM 0 HG LEU A 647 -17.774 1.134 -2.148 1.00 0.00 H new ATOM 0 HD11 LEU A 647 -16.533 2.854 -0.836 1.00 0.00 H new ATOM 0 HD12 LEU A 647 -17.281 3.532 -2.301 1.00 0.00 H new ATOM 0 HD13 LEU A 647 -18.028 3.811 -0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 647 -17.553 1.121 0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 647 -19.107 1.983 0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 647 -19.050 0.320 -0.125 1.00 0.00 H new ATOM 571 N GLY A 648 -17.921 3.233 -4.627 1.00 0.00 N ATOM 572 CA GLY A 648 -17.288 4.367 -5.307 1.00 0.00 C ATOM 573 C GLY A 648 -17.741 5.719 -4.730 1.00 0.00 C ATOM 574 O GLY A 648 -17.714 6.730 -5.433 1.00 0.00 O ATOM 0 H GLY A 648 -17.255 2.531 -4.303 1.00 0.00 H new ATOM 0 HA2 GLY A 648 -16.205 4.282 -5.220 1.00 0.00 H new ATOM 0 HA3 GLY A 648 -17.526 4.330 -6.370 1.00 0.00 H new ATOM 578 N ASP A 649 -18.202 5.734 -3.478 1.00 0.00 N ATOM 579 CA ASP A 649 -18.710 6.893 -2.757 1.00 0.00 C ATOM 580 C ASP A 649 -17.593 7.605 -2.002 1.00 0.00 C ATOM 581 O ASP A 649 -17.517 8.833 -2.003 1.00 0.00 O ATOM 582 CB ASP A 649 -19.804 6.401 -1.793 1.00 0.00 C ATOM 583 CG ASP A 649 -20.755 7.493 -1.299 1.00 0.00 C ATOM 584 OD1 ASP A 649 -20.742 8.618 -1.839 1.00 0.00 O ATOM 585 OD2 ASP A 649 -21.638 7.156 -0.473 1.00 0.00 O ATOM 0 H ASP A 649 -18.231 4.886 -2.911 1.00 0.00 H new ATOM 0 HA ASP A 649 -19.124 7.618 -3.458 1.00 0.00 H new ATOM 0 HB2 ASP A 649 -20.388 5.627 -2.291 1.00 0.00 H new ATOM 0 HB3 ASP A 649 -19.327 5.935 -0.931 1.00 0.00 H new ATOM 590 N CYS A 650 -16.718 6.836 -1.351 1.00 0.00 N ATOM 591 CA CYS A 650 -15.589 7.344 -0.587 1.00 0.00 C ATOM 592 C CYS A 650 -14.454 7.813 -1.510 1.00 0.00 C ATOM 593 O CYS A 650 -14.521 7.658 -2.734 1.00 0.00 O ATOM 594 CB CYS A 650 -15.115 6.253 0.381 1.00 0.00 C ATOM 595 SG CYS A 650 -16.349 5.756 1.608 1.00 0.00 S ATOM 0 H CYS A 650 -16.781 5.818 -1.344 1.00 0.00 H new ATOM 0 HA CYS A 650 -15.903 8.217 -0.015 1.00 0.00 H new ATOM 0 HB2 CYS A 650 -14.820 5.376 -0.195 1.00 0.00 H new ATOM 0 HB3 CYS A 650 -14.225 6.607 0.901 1.00 0.00 H new ATOM 600 N ASN A 651 -13.397 8.372 -0.911 1.00 0.00 N ATOM 601 CA ASN A 651 -12.211 8.891 -1.589 1.00 0.00 C ATOM 602 C ASN A 651 -10.974 8.270 -0.929 1.00 0.00 C ATOM 603 O ASN A 651 -10.048 8.964 -0.519 1.00 0.00 O ATOM 604 CB ASN A 651 -12.228 10.431 -1.552 1.00 0.00 C ATOM 605 CG ASN A 651 -13.369 10.993 -2.388 1.00 0.00 C ATOM 606 OD1 ASN A 651 -14.453 11.248 -1.872 1.00 0.00 O ATOM 607 ND2 ASN A 651 -13.171 11.161 -3.683 1.00 0.00 N ATOM 0 H ASN A 651 -13.345 8.478 0.102 1.00 0.00 H new ATOM 0 HA ASN A 651 -12.193 8.616 -2.644 1.00 0.00 H new ATOM 0 HB2 ASN A 651 -12.328 10.771 -0.521 1.00 0.00 H new ATOM 0 HB3 ASN A 651 -11.278 10.816 -1.924 1.00 0.00 H new ATOM 0 HD21 ASN A 651 -13.927 11.509 -4.274 1.00 0.00 H new ATOM 0 HD22 ASN A 651 -12.263 10.943 -4.092 1.00 0.00 H new ATOM 614 N GLU A 652 -11.010 6.956 -0.730 1.00 0.00 N ATOM 615 CA GLU A 652 -9.977 6.127 -0.118 1.00 0.00 C ATOM 616 C GLU A 652 -8.723 5.939 -0.986 1.00 0.00 C ATOM 617 O GLU A 652 -8.577 6.511 -2.067 1.00 0.00 O ATOM 618 CB GLU A 652 -10.595 4.757 0.233 1.00 0.00 C ATOM 619 CG GLU A 652 -10.823 3.824 -0.972 1.00 0.00 C ATOM 620 CD GLU A 652 -11.840 4.332 -1.993 1.00 0.00 C ATOM 621 OE1 GLU A 652 -12.816 5.007 -1.592 1.00 0.00 O ATOM 622 OE2 GLU A 652 -11.672 4.053 -3.200 1.00 0.00 O ATOM 0 H GLU A 652 -11.819 6.403 -1.012 1.00 0.00 H new ATOM 0 HA GLU A 652 -9.632 6.648 0.775 1.00 0.00 H new ATOM 0 HB2 GLU A 652 -9.944 4.253 0.947 1.00 0.00 H new ATOM 0 HB3 GLU A 652 -11.549 4.922 0.733 1.00 0.00 H new ATOM 0 HG2 GLU A 652 -9.870 3.667 -1.477 1.00 0.00 H new ATOM 0 HG3 GLU A 652 -11.153 2.853 -0.604 1.00 0.00 H new ATOM 629 N ASP A 653 -7.829 5.083 -0.495 1.00 0.00 N ATOM 630 CA ASP A 653 -6.561 4.674 -1.066 1.00 0.00 C ATOM 631 C ASP A 653 -6.539 3.152 -1.231 1.00 0.00 C ATOM 632 O ASP A 653 -6.962 2.401 -0.343 1.00 0.00 O ATOM 633 CB ASP A 653 -5.384 5.170 -0.207 1.00 0.00 C ATOM 634 CG ASP A 653 -5.390 4.750 1.272 1.00 0.00 C ATOM 635 OD1 ASP A 653 -6.453 4.414 1.853 1.00 0.00 O ATOM 636 OD2 ASP A 653 -4.312 4.827 1.900 1.00 0.00 O ATOM 0 H ASP A 653 -7.997 4.618 0.397 1.00 0.00 H new ATOM 0 HA ASP A 653 -6.449 5.128 -2.050 1.00 0.00 H new ATOM 0 HB2 ASP A 653 -4.458 4.814 -0.659 1.00 0.00 H new ATOM 0 HB3 ASP A 653 -5.363 6.259 -0.252 1.00 0.00 H new ATOM 641 N LEU A 654 -6.078 2.698 -2.399 1.00 0.00 N ATOM 642 CA LEU A 654 -5.942 1.296 -2.802 1.00 0.00 C ATOM 643 C LEU A 654 -4.474 0.966 -3.094 1.00 0.00 C ATOM 644 O LEU A 654 -4.124 -0.208 -3.210 1.00 0.00 O ATOM 645 CB LEU A 654 -6.827 0.969 -4.018 1.00 0.00 C ATOM 646 CG LEU A 654 -8.345 0.933 -3.760 1.00 0.00 C ATOM 647 CD1 LEU A 654 -9.049 0.586 -5.074 1.00 0.00 C ATOM 648 CD2 LEU A 654 -8.756 -0.100 -2.703 1.00 0.00 C ATOM 0 H LEU A 654 -5.771 3.337 -3.132 1.00 0.00 H new ATOM 0 HA LEU A 654 -6.282 0.675 -1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 654 -6.628 1.707 -4.795 1.00 0.00 H new ATOM 0 HB3 LEU A 654 -6.523 -0.000 -4.413 1.00 0.00 H new ATOM 0 HG LEU A 654 -8.633 1.914 -3.383 1.00 0.00 H new ATOM 0 HD11 LEU A 654 -10.127 0.555 -4.912 1.00 0.00 H new ATOM 0 HD12 LEU A 654 -8.816 1.343 -5.823 1.00 0.00 H new ATOM 0 HD13 LEU A 654 -8.707 -0.388 -5.424 1.00 0.00 H new ATOM 0 HD21 LEU A 654 -9.837 -0.073 -2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 654 -8.455 -1.095 -3.031 1.00 0.00 H new ATOM 0 HD23 LEU A 654 -8.268 0.134 -1.757 1.00 0.00 H new ATOM 660 N GLU A 655 -3.609 1.970 -3.219 1.00 0.00 N ATOM 661 CA GLU A 655 -2.173 1.904 -3.449 1.00 0.00 C ATOM 662 C GLU A 655 -1.594 2.952 -2.502 1.00 0.00 C ATOM 663 O GLU A 655 -2.211 3.992 -2.259 1.00 0.00 O ATOM 664 CB GLU A 655 -1.764 2.154 -4.907 1.00 0.00 C ATOM 665 CG GLU A 655 -0.235 2.337 -5.034 1.00 0.00 C ATOM 666 CD GLU A 655 0.273 1.989 -6.433 1.00 0.00 C ATOM 667 OE1 GLU A 655 0.483 0.787 -6.735 1.00 0.00 O ATOM 668 OE2 GLU A 655 0.555 2.930 -7.213 1.00 0.00 O ATOM 0 H GLU A 655 -3.927 2.937 -3.156 1.00 0.00 H new ATOM 0 HA GLU A 655 -1.791 0.901 -3.257 1.00 0.00 H new ATOM 0 HB2 GLU A 655 -2.086 1.317 -5.526 1.00 0.00 H new ATOM 0 HB3 GLU A 655 -2.272 3.042 -5.283 1.00 0.00 H new ATOM 0 HG2 GLU A 655 0.026 3.369 -4.800 1.00 0.00 H new ATOM 0 HG3 GLU A 655 0.267 1.707 -4.300 1.00 0.00 H new ATOM 675 N GLN A 656 -0.431 2.651 -1.942 1.00 0.00 N ATOM 676 CA GLN A 656 0.284 3.488 -1.000 1.00 0.00 C ATOM 677 C GLN A 656 1.787 3.257 -1.196 1.00 0.00 C ATOM 678 O GLN A 656 2.209 2.312 -1.878 1.00 0.00 O ATOM 679 CB GLN A 656 -0.180 3.048 0.415 1.00 0.00 C ATOM 680 CG GLN A 656 -1.304 3.910 1.011 1.00 0.00 C ATOM 681 CD GLN A 656 -0.858 5.275 1.515 1.00 0.00 C ATOM 682 OE1 GLN A 656 0.324 5.614 1.510 1.00 0.00 O ATOM 683 NE2 GLN A 656 -1.785 6.067 2.024 1.00 0.00 N ATOM 0 H GLN A 656 0.058 1.779 -2.143 1.00 0.00 H new ATOM 0 HA GLN A 656 0.087 4.551 -1.140 1.00 0.00 H new ATOM 0 HB2 GLN A 656 -0.519 2.013 0.368 1.00 0.00 H new ATOM 0 HB3 GLN A 656 0.676 3.073 1.089 1.00 0.00 H new ATOM 0 HG2 GLN A 656 -2.075 4.051 0.254 1.00 0.00 H new ATOM 0 HG3 GLN A 656 -1.763 3.365 1.836 1.00 0.00 H new ATOM 0 HE21 GLN A 656 -2.762 5.775 2.022 1.00 0.00 H new ATOM 0 HE22 GLN A 656 -1.523 6.971 2.418 1.00 0.00 H new ATOM 692 N ALA A 657 2.604 4.051 -0.514 1.00 0.00 N ATOM 693 CA ALA A 657 4.064 3.982 -0.526 1.00 0.00 C ATOM 694 C ALA A 657 4.593 4.156 0.900 1.00 0.00 C ATOM 695 O ALA A 657 3.925 4.760 1.742 1.00 0.00 O ATOM 696 CB ALA A 657 4.636 5.059 -1.456 1.00 0.00 C ATOM 0 H ALA A 657 2.253 4.794 0.090 1.00 0.00 H new ATOM 0 HA ALA A 657 4.380 3.009 -0.902 1.00 0.00 H new ATOM 0 HB1 ALA A 657 5.724 4.998 -1.457 1.00 0.00 H new ATOM 0 HB2 ALA A 657 4.263 4.902 -2.468 1.00 0.00 H new ATOM 0 HB3 ALA A 657 4.328 6.044 -1.105 1.00 0.00 H new ATOM 702 N GLU A 658 5.797 3.668 1.180 1.00 0.00 N ATOM 703 CA GLU A 658 6.435 3.738 2.494 1.00 0.00 C ATOM 704 C GLU A 658 7.939 3.904 2.303 1.00 0.00 C ATOM 705 O GLU A 658 8.506 3.401 1.329 1.00 0.00 O ATOM 706 CB GLU A 658 6.109 2.441 3.246 1.00 0.00 C ATOM 707 CG GLU A 658 6.757 2.260 4.615 1.00 0.00 C ATOM 708 CD GLU A 658 6.230 3.281 5.611 1.00 0.00 C ATOM 709 OE1 GLU A 658 6.694 4.441 5.548 1.00 0.00 O ATOM 710 OE2 GLU A 658 5.358 2.912 6.437 1.00 0.00 O ATOM 0 H GLU A 658 6.374 3.199 0.481 1.00 0.00 H new ATOM 0 HA GLU A 658 6.070 4.587 3.072 1.00 0.00 H new ATOM 0 HB2 GLU A 658 5.028 2.383 3.371 1.00 0.00 H new ATOM 0 HB3 GLU A 658 6.402 1.600 2.617 1.00 0.00 H new ATOM 0 HG2 GLU A 658 6.560 1.253 4.983 1.00 0.00 H new ATOM 0 HG3 GLU A 658 7.839 2.361 4.525 1.00 0.00 H new ATOM 717 N LYS A 659 8.591 4.666 3.184 1.00 0.00 N ATOM 718 CA LYS A 659 10.036 4.883 3.103 1.00 0.00 C ATOM 719 C LYS A 659 10.741 3.569 3.429 1.00 0.00 C ATOM 720 O LYS A 659 10.259 2.810 4.265 1.00 0.00 O ATOM 721 CB LYS A 659 10.477 6.063 3.986 1.00 0.00 C ATOM 722 CG LYS A 659 10.003 5.966 5.443 1.00 0.00 C ATOM 723 CD LYS A 659 10.343 7.197 6.290 1.00 0.00 C ATOM 724 CE LYS A 659 9.672 8.459 5.745 1.00 0.00 C ATOM 725 NZ LYS A 659 9.751 9.570 6.708 1.00 0.00 N ATOM 0 H LYS A 659 8.139 5.144 3.964 1.00 0.00 H new ATOM 0 HA LYS A 659 10.322 5.173 2.092 1.00 0.00 H new ATOM 0 HB2 LYS A 659 11.565 6.126 3.972 1.00 0.00 H new ATOM 0 HB3 LYS A 659 10.098 6.989 3.553 1.00 0.00 H new ATOM 0 HG2 LYS A 659 8.923 5.816 5.454 1.00 0.00 H new ATOM 0 HG3 LYS A 659 10.452 5.086 5.903 1.00 0.00 H new ATOM 0 HD2 LYS A 659 10.024 7.030 7.319 1.00 0.00 H new ATOM 0 HD3 LYS A 659 11.424 7.338 6.310 1.00 0.00 H new ATOM 0 HE2 LYS A 659 10.150 8.752 4.810 1.00 0.00 H new ATOM 0 HE3 LYS A 659 8.627 8.247 5.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 659 9.287 10.410 6.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 659 9.274 9.299 7.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 659 10.749 9.787 6.906 1.00 0.00 H new ATOM 739 N CYS A 660 11.861 3.279 2.766 1.00 0.00 N ATOM 740 CA CYS A 660 12.607 2.038 2.990 1.00 0.00 C ATOM 741 C CYS A 660 14.116 2.274 3.119 1.00 0.00 C ATOM 742 O CYS A 660 14.760 1.561 3.873 1.00 0.00 O ATOM 743 CB CYS A 660 12.239 1.036 1.881 1.00 0.00 C ATOM 744 SG CYS A 660 12.937 -0.620 2.117 1.00 0.00 S ATOM 0 H CYS A 660 12.275 3.892 2.064 1.00 0.00 H new ATOM 0 HA CYS A 660 12.319 1.612 3.951 1.00 0.00 H new ATOM 0 HB2 CYS A 660 11.153 0.956 1.824 1.00 0.00 H new ATOM 0 HB3 CYS A 660 12.580 1.429 0.923 1.00 0.00 H new ATOM 749 N MET A 661 14.644 3.284 2.411 1.00 0.00 N ATOM 750 CA MET A 661 16.033 3.751 2.333 1.00 0.00 C ATOM 751 C MET A 661 17.041 2.741 2.883 1.00 0.00 C ATOM 752 O MET A 661 17.473 2.804 4.042 1.00 0.00 O ATOM 753 CB MET A 661 16.232 5.116 2.999 1.00 0.00 C ATOM 754 CG MET A 661 15.112 6.126 2.687 1.00 0.00 C ATOM 755 SD MET A 661 15.183 7.741 3.514 1.00 0.00 S ATOM 756 CE MET A 661 16.913 8.206 3.256 1.00 0.00 C ATOM 0 H MET A 661 14.042 3.853 1.816 1.00 0.00 H new ATOM 0 HA MET A 661 16.231 3.861 1.267 1.00 0.00 H new ATOM 0 HB2 MET A 661 16.294 4.978 4.078 1.00 0.00 H new ATOM 0 HB3 MET A 661 17.186 5.533 2.675 1.00 0.00 H new ATOM 0 HG2 MET A 661 15.106 6.299 1.611 1.00 0.00 H new ATOM 0 HG3 MET A 661 14.159 5.660 2.940 1.00 0.00 H new ATOM 0 HE1 MET A 661 17.066 9.234 3.584 1.00 0.00 H new ATOM 0 HE2 MET A 661 17.558 7.541 3.831 1.00 0.00 H new ATOM 0 HE3 MET A 661 17.158 8.123 2.197 1.00 0.00 H new ATOM 766 N LEU A 662 17.406 1.788 2.041 1.00 0.00 N ATOM 767 CA LEU A 662 18.342 0.735 2.391 1.00 0.00 C ATOM 768 C LEU A 662 19.724 1.315 2.736 1.00 0.00 C ATOM 769 O LEU A 662 19.994 2.476 2.408 1.00 0.00 O ATOM 770 CB LEU A 662 18.470 -0.210 1.176 1.00 0.00 C ATOM 771 CG LEU A 662 17.417 -1.307 0.946 1.00 0.00 C ATOM 772 CD1 LEU A 662 17.578 -2.458 1.936 1.00 0.00 C ATOM 773 CD2 LEU A 662 15.991 -0.771 0.970 1.00 0.00 C ATOM 0 H LEU A 662 17.056 1.724 1.085 1.00 0.00 H new ATOM 0 HA LEU A 662 17.975 0.200 3.267 1.00 0.00 H new ATOM 0 HB2 LEU A 662 18.492 0.412 0.281 1.00 0.00 H new ATOM 0 HB3 LEU A 662 19.441 -0.701 1.247 1.00 0.00 H new ATOM 0 HG LEU A 662 17.597 -1.691 -0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 662 16.817 -3.214 1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 662 18.567 -2.902 1.821 1.00 0.00 H new ATOM 0 HD13 LEU A 662 17.466 -2.082 2.953 1.00 0.00 H new ATOM 0 HD21 LEU A 662 15.292 -1.590 0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 662 15.790 -0.315 1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 662 15.870 -0.024 0.186 1.00 0.00 H new ATOM 785 N PRO A 663 20.613 0.544 3.393 1.00 0.00 N ATOM 786 CA PRO A 663 21.959 1.011 3.717 1.00 0.00 C ATOM 787 C PRO A 663 22.728 1.220 2.401 1.00 0.00 C ATOM 788 O PRO A 663 22.232 0.835 1.343 1.00 0.00 O ATOM 789 CB PRO A 663 22.563 -0.080 4.608 1.00 0.00 C ATOM 790 CG PRO A 663 21.808 -1.345 4.202 1.00 0.00 C ATOM 791 CD PRO A 663 20.420 -0.829 3.835 1.00 0.00 C ATOM 0 HA PRO A 663 21.988 1.964 4.245 1.00 0.00 H new ATOM 0 HB2 PRO A 663 23.635 -0.184 4.441 1.00 0.00 H new ATOM 0 HB3 PRO A 663 22.425 0.146 5.665 1.00 0.00 H new ATOM 0 HG2 PRO A 663 22.286 -1.845 3.360 1.00 0.00 H new ATOM 0 HG3 PRO A 663 21.765 -2.066 5.018 1.00 0.00 H new ATOM 0 HD2 PRO A 663 19.973 -1.435 3.047 1.00 0.00 H new ATOM 0 HD3 PRO A 663 19.747 -0.873 4.691 1.00 0.00 H new ATOM 799 N GLU A 664 23.903 1.854 2.398 1.00 0.00 N ATOM 800 CA GLU A 664 24.612 2.034 1.126 1.00 0.00 C ATOM 801 C GLU A 664 25.089 0.695 0.562 1.00 0.00 C ATOM 802 O GLU A 664 25.271 -0.277 1.301 1.00 0.00 O ATOM 803 CB GLU A 664 25.780 3.014 1.222 1.00 0.00 C ATOM 804 CG GLU A 664 26.774 2.716 2.347 1.00 0.00 C ATOM 805 CD GLU A 664 26.438 3.526 3.603 1.00 0.00 C ATOM 806 OE1 GLU A 664 26.553 4.774 3.596 1.00 0.00 O ATOM 807 OE2 GLU A 664 26.001 2.936 4.616 1.00 0.00 O ATOM 0 H GLU A 664 24.368 2.237 3.221 1.00 0.00 H new ATOM 0 HA GLU A 664 23.886 2.470 0.440 1.00 0.00 H new ATOM 0 HB2 GLU A 664 26.316 3.014 0.273 1.00 0.00 H new ATOM 0 HB3 GLU A 664 25.383 4.019 1.363 1.00 0.00 H new ATOM 0 HG2 GLU A 664 26.756 1.651 2.581 1.00 0.00 H new ATOM 0 HG3 GLU A 664 27.785 2.953 2.016 1.00 0.00 H new ATOM 814 N CYS A 665 25.287 0.661 -0.755 1.00 0.00 N ATOM 815 CA CYS A 665 25.746 -0.540 -1.435 1.00 0.00 C ATOM 816 C CYS A 665 27.227 -0.772 -1.141 1.00 0.00 C ATOM 817 O CYS A 665 28.008 0.158 -1.366 1.00 0.00 O ATOM 818 CB CYS A 665 25.587 -0.425 -2.954 1.00 0.00 C ATOM 819 SG CYS A 665 24.023 -1.051 -3.600 1.00 0.00 S ATOM 0 H CYS A 665 25.134 1.459 -1.372 1.00 0.00 H new ATOM 0 HA CYS A 665 25.138 -1.367 -1.068 1.00 0.00 H new ATOM 0 HB2 CYS A 665 25.688 0.623 -3.238 1.00 0.00 H new ATOM 0 HB3 CYS A 665 26.404 -0.965 -3.433 1.00 0.00 H new ATOM 824 N PRO A 666 27.622 -1.968 -0.673 1.00 0.00 N ATOM 825 CA PRO A 666 29.014 -2.290 -0.406 1.00 0.00 C ATOM 826 C PRO A 666 29.670 -2.734 -1.729 1.00 0.00 C ATOM 827 O PRO A 666 30.657 -3.492 -1.710 1.00 0.00 O ATOM 828 CB PRO A 666 28.938 -3.424 0.623 1.00 0.00 C ATOM 829 CG PRO A 666 27.712 -4.207 0.152 1.00 0.00 C ATOM 830 CD PRO A 666 26.778 -3.115 -0.371 1.00 0.00 C ATOM 0 HA PRO A 666 29.612 -1.462 -0.025 1.00 0.00 H new ATOM 0 HB2 PRO A 666 29.839 -4.038 0.620 1.00 0.00 H new ATOM 0 HB3 PRO A 666 28.814 -3.045 1.638 1.00 0.00 H new ATOM 0 HG2 PRO A 666 27.968 -4.925 -0.627 1.00 0.00 H new ATOM 0 HG3 PRO A 666 27.257 -4.770 0.967 1.00 0.00 H new ATOM 0 HD2 PRO A 666 26.246 -3.451 -1.261 1.00 0.00 H new ATOM 0 HD3 PRO A 666 26.024 -2.858 0.373 1.00 0.00 H new