USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=10 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= 0.0316 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 62:sc= 0.224 USER MOD Single : A 632 LYS NZ :NH3+ -120:sc= 0.482 (180deg=0) USER MOD Single : A 634 MET CE :methyl -175:sc= -0.0725 (180deg=-0.187) USER MOD Single : A 636 THR OG1 : rot 180:sc= 0 USER MOD Single : A 638 GLN : amide:sc= 0 X(o=0,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 170:sc=-0.00127 USER MOD Single : A 651 ASN : amide:sc= 0.233 X(o=0.23,f=0) USER MOD Single : A 656 GLN : amide:sc= 0.133 K(o=0.13,f=-4.7!) USER MOD Single : A 659 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 661 MET CE :methyl -123:sc=-0.00887 (180deg=-0.264) USER MOD ----------------------------------------------------------------- ATOM 38 N PRO A 614 -19.960 1.948 4.509 1.00 0.00 N ATOM 39 CA PRO A 614 -19.993 2.397 3.121 1.00 0.00 C ATOM 40 C PRO A 614 -18.739 2.078 2.279 1.00 0.00 C ATOM 41 O PRO A 614 -18.758 2.339 1.077 1.00 0.00 O ATOM 42 CB PRO A 614 -20.272 3.901 3.178 1.00 0.00 C ATOM 43 CG PRO A 614 -19.891 4.331 4.592 1.00 0.00 C ATOM 44 CD PRO A 614 -20.108 3.076 5.418 1.00 0.00 C ATOM 0 HA PRO A 614 -20.769 1.841 2.595 1.00 0.00 H new ATOM 0 HB2 PRO A 614 -19.685 4.438 2.433 1.00 0.00 H new ATOM 0 HB3 PRO A 614 -21.321 4.114 2.972 1.00 0.00 H new ATOM 0 HG2 PRO A 614 -18.856 4.670 4.643 1.00 0.00 H new ATOM 0 HG3 PRO A 614 -20.514 5.154 4.942 1.00 0.00 H new ATOM 0 HD2 PRO A 614 -19.383 3.017 6.230 1.00 0.00 H new ATOM 0 HD3 PRO A 614 -21.098 3.079 5.874 1.00 0.00 H new ATOM 52 N CYS A 615 -17.673 1.510 2.850 1.00 0.00 N ATOM 53 CA CYS A 615 -16.439 1.150 2.154 1.00 0.00 C ATOM 54 C CYS A 615 -16.097 -0.288 2.530 1.00 0.00 C ATOM 55 O CYS A 615 -15.448 -0.530 3.549 1.00 0.00 O ATOM 56 CB CYS A 615 -15.288 2.120 2.476 1.00 0.00 C ATOM 57 SG CYS A 615 -15.429 3.108 3.990 1.00 0.00 S ATOM 0 H CYS A 615 -17.647 1.281 3.844 1.00 0.00 H new ATOM 0 HA CYS A 615 -16.587 1.227 1.077 1.00 0.00 H new ATOM 0 HB2 CYS A 615 -14.366 1.541 2.536 1.00 0.00 H new ATOM 0 HB3 CYS A 615 -15.180 2.805 1.635 1.00 0.00 H new ATOM 62 N LEU A 616 -16.618 -1.261 1.784 1.00 0.00 N ATOM 63 CA LEU A 616 -16.365 -2.674 2.024 1.00 0.00 C ATOM 64 C LEU A 616 -15.159 -3.073 1.166 1.00 0.00 C ATOM 65 O LEU A 616 -15.285 -3.219 -0.051 1.00 0.00 O ATOM 66 CB LEU A 616 -17.645 -3.478 1.740 1.00 0.00 C ATOM 67 CG LEU A 616 -17.614 -4.949 2.202 1.00 0.00 C ATOM 68 CD1 LEU A 616 -16.526 -5.752 1.493 1.00 0.00 C ATOM 69 CD2 LEU A 616 -17.441 -5.098 3.715 1.00 0.00 C ATOM 0 H LEU A 616 -17.233 -1.085 0.989 1.00 0.00 H new ATOM 0 HA LEU A 616 -16.114 -2.889 3.063 1.00 0.00 H new ATOM 0 HB2 LEU A 616 -18.483 -2.979 2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 616 -17.839 -3.455 0.668 1.00 0.00 H new ATOM 0 HG LEU A 616 -18.590 -5.350 1.929 1.00 0.00 H new ATOM 0 HD11 LEU A 616 -16.542 -6.782 1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 616 -16.706 -5.738 0.418 1.00 0.00 H new ATOM 0 HD13 LEU A 616 -15.552 -5.310 1.704 1.00 0.00 H new ATOM 0 HD21 LEU A 616 -17.427 -6.156 3.977 1.00 0.00 H new ATOM 0 HD22 LEU A 616 -16.503 -4.636 4.021 1.00 0.00 H new ATOM 0 HD23 LEU A 616 -18.270 -4.609 4.226 1.00 0.00 H new ATOM 81 N LEU A 617 -13.973 -3.183 1.759 1.00 0.00 N ATOM 82 CA LEU A 617 -12.715 -3.546 1.101 1.00 0.00 C ATOM 83 C LEU A 617 -11.821 -4.249 2.127 1.00 0.00 C ATOM 84 O LEU A 617 -12.084 -4.193 3.330 1.00 0.00 O ATOM 85 CB LEU A 617 -12.046 -2.333 0.423 1.00 0.00 C ATOM 86 CG LEU A 617 -12.091 -0.978 1.161 1.00 0.00 C ATOM 87 CD1 LEU A 617 -10.988 -0.870 2.215 1.00 0.00 C ATOM 88 CD2 LEU A 617 -11.977 0.174 0.154 1.00 0.00 C ATOM 0 H LEU A 617 -13.854 -3.014 2.758 1.00 0.00 H new ATOM 0 HA LEU A 617 -12.907 -4.239 0.282 1.00 0.00 H new ATOM 0 HB2 LEU A 617 -11.000 -2.583 0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 617 -12.510 -2.198 -0.554 1.00 0.00 H new ATOM 0 HG LEU A 617 -13.048 -0.913 1.678 1.00 0.00 H new ATOM 0 HD11 LEU A 617 -11.053 0.098 2.712 1.00 0.00 H new ATOM 0 HD12 LEU A 617 -11.109 -1.665 2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 617 -10.015 -0.966 1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 617 -12.010 1.126 0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 617 -11.034 0.092 -0.387 1.00 0.00 H new ATOM 0 HD23 LEU A 617 -12.806 0.124 -0.552 1.00 0.00 H new ATOM 100 N SER A 618 -10.801 -4.972 1.671 1.00 0.00 N ATOM 101 CA SER A 618 -9.885 -5.690 2.552 1.00 0.00 C ATOM 102 C SER A 618 -8.857 -4.726 3.164 1.00 0.00 C ATOM 103 O SER A 618 -8.679 -3.613 2.644 1.00 0.00 O ATOM 104 CB SER A 618 -9.195 -6.785 1.715 1.00 0.00 C ATOM 105 OG SER A 618 -8.707 -6.265 0.486 1.00 0.00 O ATOM 0 H SER A 618 -10.587 -5.076 0.679 1.00 0.00 H new ATOM 0 HA SER A 618 -10.427 -6.143 3.382 1.00 0.00 H new ATOM 0 HB2 SER A 618 -8.370 -7.215 2.284 1.00 0.00 H new ATOM 0 HB3 SER A 618 -9.900 -7.592 1.516 1.00 0.00 H new ATOM 0 HG SER A 618 -8.273 -6.981 -0.023 1.00 0.00 H new ATOM 111 N PRO A 619 -8.158 -5.112 4.246 1.00 0.00 N ATOM 112 CA PRO A 619 -7.132 -4.257 4.824 1.00 0.00 C ATOM 113 C PRO A 619 -5.962 -4.194 3.839 1.00 0.00 C ATOM 114 O PRO A 619 -5.967 -4.835 2.779 1.00 0.00 O ATOM 115 CB PRO A 619 -6.711 -4.930 6.137 1.00 0.00 C ATOM 116 CG PRO A 619 -7.021 -6.400 5.898 1.00 0.00 C ATOM 117 CD PRO A 619 -8.248 -6.365 4.987 1.00 0.00 C ATOM 0 HA PRO A 619 -7.476 -3.241 5.015 1.00 0.00 H new ATOM 0 HB2 PRO A 619 -5.653 -4.772 6.348 1.00 0.00 H new ATOM 0 HB3 PRO A 619 -7.268 -4.535 6.987 1.00 0.00 H new ATOM 0 HG2 PRO A 619 -6.185 -6.914 5.425 1.00 0.00 H new ATOM 0 HG3 PRO A 619 -7.229 -6.923 6.831 1.00 0.00 H new ATOM 0 HD2 PRO A 619 -8.257 -7.220 4.310 1.00 0.00 H new ATOM 0 HD3 PRO A 619 -9.168 -6.410 5.569 1.00 0.00 H new ATOM 125 N TRP A 620 -4.975 -3.359 4.146 1.00 0.00 N ATOM 126 CA TRP A 620 -3.810 -3.278 3.290 1.00 0.00 C ATOM 127 C TRP A 620 -3.075 -4.618 3.427 1.00 0.00 C ATOM 128 O TRP A 620 -3.104 -5.243 4.493 1.00 0.00 O ATOM 129 CB TRP A 620 -2.905 -2.137 3.754 1.00 0.00 C ATOM 130 CG TRP A 620 -3.404 -0.742 3.528 1.00 0.00 C ATOM 131 CD1 TRP A 620 -3.874 0.107 4.470 1.00 0.00 C ATOM 132 CD2 TRP A 620 -3.392 0.016 2.286 1.00 0.00 C ATOM 133 NE1 TRP A 620 -4.159 1.328 3.890 1.00 0.00 N ATOM 134 CE2 TRP A 620 -3.885 1.329 2.542 1.00 0.00 C ATOM 135 CE3 TRP A 620 -2.963 -0.261 0.973 1.00 0.00 C ATOM 136 CZ2 TRP A 620 -3.989 2.303 1.540 1.00 0.00 C ATOM 137 CZ3 TRP A 620 -3.051 0.712 -0.036 1.00 0.00 C ATOM 138 CH2 TRP A 620 -3.579 1.984 0.236 1.00 0.00 C ATOM 0 H TRP A 620 -4.961 -2.746 4.961 1.00 0.00 H new ATOM 0 HA TRP A 620 -4.090 -3.086 2.254 1.00 0.00 H new ATOM 0 HB2 TRP A 620 -2.720 -2.263 4.821 1.00 0.00 H new ATOM 0 HB3 TRP A 620 -1.944 -2.240 3.250 1.00 0.00 H new ATOM 0 HD1 TRP A 620 -4.006 -0.133 5.515 1.00 0.00 H new ATOM 0 HE1 TRP A 620 -4.528 2.131 4.399 1.00 0.00 H new ATOM 0 HE3 TRP A 620 -2.561 -1.236 0.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 620 -4.379 3.284 1.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 620 -2.708 0.479 -1.033 1.00 0.00 H new ATOM 0 HH2 TRP A 620 -3.669 2.714 -0.555 1.00 0.00 H new ATOM 149 N SER A 621 -2.482 -5.098 2.342 1.00 0.00 N ATOM 150 CA SER A 621 -1.716 -6.332 2.329 1.00 0.00 C ATOM 151 C SER A 621 -0.377 -6.028 3.015 1.00 0.00 C ATOM 152 O SER A 621 -0.088 -4.880 3.374 1.00 0.00 O ATOM 153 CB SER A 621 -1.512 -6.772 0.871 1.00 0.00 C ATOM 154 OG SER A 621 -1.166 -8.140 0.796 1.00 0.00 O ATOM 0 H SER A 621 -2.522 -4.633 1.435 1.00 0.00 H new ATOM 0 HA SER A 621 -2.224 -7.141 2.853 1.00 0.00 H new ATOM 0 HB2 SER A 621 -2.425 -6.593 0.303 1.00 0.00 H new ATOM 0 HB3 SER A 621 -0.728 -6.170 0.412 1.00 0.00 H new ATOM 0 HG SER A 621 -1.043 -8.395 -0.142 1.00 0.00 H new ATOM 160 N GLU A 622 0.442 -7.042 3.252 1.00 0.00 N ATOM 161 CA GLU A 622 1.736 -6.824 3.872 1.00 0.00 C ATOM 162 C GLU A 622 2.636 -6.121 2.859 1.00 0.00 C ATOM 163 O GLU A 622 2.600 -6.446 1.668 1.00 0.00 O ATOM 164 CB GLU A 622 2.388 -8.153 4.264 1.00 0.00 C ATOM 165 CG GLU A 622 1.670 -8.855 5.417 1.00 0.00 C ATOM 166 CD GLU A 622 0.645 -9.889 4.953 1.00 0.00 C ATOM 167 OE1 GLU A 622 1.051 -11.057 4.778 1.00 0.00 O ATOM 168 OE2 GLU A 622 -0.560 -9.556 4.822 1.00 0.00 O ATOM 0 H GLU A 622 0.234 -8.015 3.026 1.00 0.00 H new ATOM 0 HA GLU A 622 1.603 -6.223 4.772 1.00 0.00 H new ATOM 0 HB2 GLU A 622 2.403 -8.813 3.397 1.00 0.00 H new ATOM 0 HB3 GLU A 622 3.426 -7.973 4.545 1.00 0.00 H new ATOM 0 HG2 GLU A 622 2.409 -9.346 6.051 1.00 0.00 H new ATOM 0 HG3 GLU A 622 1.169 -8.108 6.032 1.00 0.00 H new ATOM 175 N TRP A 623 3.447 -5.167 3.320 1.00 0.00 N ATOM 176 CA TRP A 623 4.384 -4.454 2.464 1.00 0.00 C ATOM 177 C TRP A 623 5.350 -5.459 1.836 1.00 0.00 C ATOM 178 O TRP A 623 5.603 -6.526 2.405 1.00 0.00 O ATOM 179 CB TRP A 623 5.197 -3.455 3.298 1.00 0.00 C ATOM 180 CG TRP A 623 4.500 -2.183 3.648 1.00 0.00 C ATOM 181 CD1 TRP A 623 4.043 -1.832 4.868 1.00 0.00 C ATOM 182 CD2 TRP A 623 4.235 -1.045 2.779 1.00 0.00 C ATOM 183 NE1 TRP A 623 3.514 -0.559 4.806 1.00 0.00 N ATOM 184 CE2 TRP A 623 3.603 -0.020 3.541 1.00 0.00 C ATOM 185 CE3 TRP A 623 4.503 -0.764 1.426 1.00 0.00 C ATOM 186 CZ2 TRP A 623 3.211 1.208 2.978 1.00 0.00 C ATOM 187 CZ3 TRP A 623 4.149 0.471 0.872 1.00 0.00 C ATOM 188 CH2 TRP A 623 3.474 1.439 1.617 1.00 0.00 C ATOM 0 H TRP A 623 3.469 -4.871 4.296 1.00 0.00 H new ATOM 0 HA TRP A 623 3.829 -3.922 1.691 1.00 0.00 H new ATOM 0 HB2 TRP A 623 5.503 -3.946 4.222 1.00 0.00 H new ATOM 0 HB3 TRP A 623 6.107 -3.210 2.751 1.00 0.00 H new ATOM 0 HD1 TRP A 623 4.085 -2.450 5.753 1.00 0.00 H new ATOM 0 HE1 TRP A 623 3.105 -0.073 5.604 1.00 0.00 H new ATOM 0 HE3 TRP A 623 4.986 -1.508 0.810 1.00 0.00 H new ATOM 0 HZ2 TRP A 623 2.718 1.958 3.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 623 4.404 0.680 -0.156 1.00 0.00 H new ATOM 0 HH2 TRP A 623 3.156 2.360 1.151 1.00 0.00 H new ATOM 199 N SER A 624 5.926 -5.086 0.702 1.00 0.00 N ATOM 200 CA SER A 624 6.875 -5.872 -0.055 1.00 0.00 C ATOM 201 C SER A 624 8.166 -5.061 -0.145 1.00 0.00 C ATOM 202 O SER A 624 8.182 -3.852 0.142 1.00 0.00 O ATOM 203 CB SER A 624 6.259 -6.190 -1.426 1.00 0.00 C ATOM 204 OG SER A 624 7.024 -7.112 -2.176 1.00 0.00 O ATOM 0 H SER A 624 5.731 -4.183 0.269 1.00 0.00 H new ATOM 0 HA SER A 624 7.108 -6.827 0.416 1.00 0.00 H new ATOM 0 HB2 SER A 624 5.256 -6.591 -1.283 1.00 0.00 H new ATOM 0 HB3 SER A 624 6.155 -5.266 -1.994 1.00 0.00 H new ATOM 0 HG SER A 624 6.585 -7.278 -3.036 1.00 0.00 H new ATOM 210 N ASP A 625 9.223 -5.727 -0.597 1.00 0.00 N ATOM 211 CA ASP A 625 10.571 -5.213 -0.779 1.00 0.00 C ATOM 212 C ASP A 625 10.565 -3.893 -1.534 1.00 0.00 C ATOM 213 O ASP A 625 9.775 -3.683 -2.461 1.00 0.00 O ATOM 214 CB ASP A 625 11.443 -6.226 -1.533 1.00 0.00 C ATOM 215 CG ASP A 625 11.935 -7.377 -0.661 1.00 0.00 C ATOM 216 OD1 ASP A 625 12.241 -7.158 0.535 1.00 0.00 O ATOM 217 OD2 ASP A 625 12.133 -8.485 -1.209 1.00 0.00 O ATOM 0 H ASP A 625 9.153 -6.709 -0.864 1.00 0.00 H new ATOM 0 HA ASP A 625 10.989 -5.045 0.214 1.00 0.00 H new ATOM 0 HB2 ASP A 625 10.873 -6.632 -2.369 1.00 0.00 H new ATOM 0 HB3 ASP A 625 12.304 -5.708 -1.956 1.00 0.00 H new ATOM 222 N CYS A 626 11.437 -2.990 -1.106 1.00 0.00 N ATOM 223 CA CYS A 626 11.597 -1.672 -1.692 1.00 0.00 C ATOM 224 C CYS A 626 12.197 -1.818 -3.096 1.00 0.00 C ATOM 225 O CYS A 626 12.918 -2.773 -3.378 1.00 0.00 O ATOM 226 CB CYS A 626 12.449 -0.851 -0.734 1.00 0.00 C ATOM 227 SG CYS A 626 11.769 -0.859 0.948 1.00 0.00 S ATOM 0 H CYS A 626 12.067 -3.161 -0.322 1.00 0.00 H new ATOM 0 HA CYS A 626 10.650 -1.149 -1.825 1.00 0.00 H new ATOM 0 HB2 CYS A 626 13.464 -1.249 -0.718 1.00 0.00 H new ATOM 0 HB3 CYS A 626 12.515 0.176 -1.095 1.00 0.00 H new ATOM 232 N SER A 627 11.948 -0.842 -3.968 1.00 0.00 N ATOM 233 CA SER A 627 12.413 -0.881 -5.347 1.00 0.00 C ATOM 234 C SER A 627 13.938 -0.842 -5.513 1.00 0.00 C ATOM 235 O SER A 627 14.425 -1.360 -6.520 1.00 0.00 O ATOM 236 CB SER A 627 11.735 0.256 -6.125 1.00 0.00 C ATOM 237 OG SER A 627 11.655 -0.024 -7.516 1.00 0.00 O ATOM 0 H SER A 627 11.417 -0.003 -3.735 1.00 0.00 H new ATOM 0 HA SER A 627 12.128 -1.851 -5.754 1.00 0.00 H new ATOM 0 HB2 SER A 627 10.732 0.418 -5.730 1.00 0.00 H new ATOM 0 HB3 SER A 627 12.291 1.181 -5.973 1.00 0.00 H new ATOM 0 HG SER A 627 11.216 0.722 -7.975 1.00 0.00 H new ATOM 243 N VAL A 628 14.697 -0.234 -4.597 1.00 0.00 N ATOM 244 CA VAL A 628 16.158 -0.141 -4.690 1.00 0.00 C ATOM 245 C VAL A 628 16.833 -1.335 -4.009 1.00 0.00 C ATOM 246 O VAL A 628 16.237 -1.944 -3.117 1.00 0.00 O ATOM 247 CB VAL A 628 16.604 1.202 -4.067 1.00 0.00 C ATOM 248 CG1 VAL A 628 16.690 1.149 -2.537 1.00 0.00 C ATOM 249 CG2 VAL A 628 17.938 1.695 -4.617 1.00 0.00 C ATOM 0 H VAL A 628 14.313 0.211 -3.764 1.00 0.00 H new ATOM 0 HA VAL A 628 16.464 -0.170 -5.736 1.00 0.00 H new ATOM 0 HB VAL A 628 15.823 1.907 -4.352 1.00 0.00 H new ATOM 0 HG11 VAL A 628 17.008 2.120 -2.157 1.00 0.00 H new ATOM 0 HG12 VAL A 628 15.711 0.901 -2.126 1.00 0.00 H new ATOM 0 HG13 VAL A 628 17.412 0.389 -2.239 1.00 0.00 H new ATOM 0 HG21 VAL A 628 18.200 2.641 -4.143 1.00 0.00 H new ATOM 0 HG22 VAL A 628 18.713 0.958 -4.407 1.00 0.00 H new ATOM 0 HG23 VAL A 628 17.856 1.839 -5.694 1.00 0.00 H new ATOM 259 N THR A 629 18.080 -1.639 -4.379 1.00 0.00 N ATOM 260 CA THR A 629 18.833 -2.728 -3.763 1.00 0.00 C ATOM 261 C THR A 629 19.706 -2.173 -2.625 1.00 0.00 C ATOM 262 O THR A 629 19.923 -2.886 -1.645 1.00 0.00 O ATOM 263 CB THR A 629 19.653 -3.528 -4.789 1.00 0.00 C ATOM 264 OG1 THR A 629 20.592 -2.717 -5.463 1.00 0.00 O ATOM 265 CG2 THR A 629 18.764 -4.211 -5.834 1.00 0.00 C ATOM 0 H THR A 629 18.590 -1.140 -5.108 1.00 0.00 H new ATOM 0 HA THR A 629 18.123 -3.439 -3.340 1.00 0.00 H new ATOM 0 HB THR A 629 20.179 -4.289 -4.212 1.00 0.00 H new ATOM 0 HG1 THR A 629 21.233 -2.353 -4.817 1.00 0.00 H new ATOM 0 HG21 THR A 629 19.387 -4.764 -6.537 1.00 0.00 H new ATOM 0 HG22 THR A 629 18.081 -4.899 -5.336 1.00 0.00 H new ATOM 0 HG23 THR A 629 18.191 -3.457 -6.373 1.00 0.00 H new ATOM 273 N CYS A 630 20.148 -0.909 -2.697 1.00 0.00 N ATOM 274 CA CYS A 630 20.980 -0.273 -1.683 1.00 0.00 C ATOM 275 C CYS A 630 20.675 1.220 -1.555 1.00 0.00 C ATOM 276 O CYS A 630 20.229 1.864 -2.506 1.00 0.00 O ATOM 277 CB CYS A 630 22.477 -0.461 -1.979 1.00 0.00 C ATOM 278 SG CYS A 630 22.974 -0.869 -3.675 1.00 0.00 S ATOM 0 H CYS A 630 19.929 -0.294 -3.480 1.00 0.00 H new ATOM 0 HA CYS A 630 20.741 -0.763 -0.739 1.00 0.00 H new ATOM 0 HB2 CYS A 630 22.990 0.458 -1.694 1.00 0.00 H new ATOM 0 HB3 CYS A 630 22.849 -1.250 -1.325 1.00 0.00 H new ATOM 283 N GLY A 631 20.968 1.772 -0.380 1.00 0.00 N ATOM 284 CA GLY A 631 20.780 3.174 -0.056 1.00 0.00 C ATOM 285 C GLY A 631 19.327 3.654 -0.123 1.00 0.00 C ATOM 286 O GLY A 631 18.381 2.923 0.182 1.00 0.00 O ATOM 0 H GLY A 631 21.355 1.233 0.395 1.00 0.00 H new ATOM 0 HA2 GLY A 631 21.163 3.356 0.948 1.00 0.00 H new ATOM 0 HA3 GLY A 631 21.379 3.775 -0.740 1.00 0.00 H new ATOM 290 N LYS A 632 19.151 4.947 -0.408 1.00 0.00 N ATOM 291 CA LYS A 632 17.857 5.628 -0.504 1.00 0.00 C ATOM 292 C LYS A 632 16.919 4.875 -1.453 1.00 0.00 C ATOM 293 O LYS A 632 17.269 4.632 -2.606 1.00 0.00 O ATOM 294 CB LYS A 632 18.059 7.081 -0.958 1.00 0.00 C ATOM 295 CG LYS A 632 18.605 8.038 0.120 1.00 0.00 C ATOM 296 CD LYS A 632 20.069 7.833 0.562 1.00 0.00 C ATOM 297 CE LYS A 632 20.189 7.192 1.956 1.00 0.00 C ATOM 298 NZ LYS A 632 19.918 8.164 3.041 1.00 0.00 N ATOM 0 H LYS A 632 19.937 5.573 -0.585 1.00 0.00 H new ATOM 0 HA LYS A 632 17.390 5.640 0.481 1.00 0.00 H new ATOM 0 HB2 LYS A 632 18.743 7.087 -1.806 1.00 0.00 H new ATOM 0 HB3 LYS A 632 17.105 7.469 -1.315 1.00 0.00 H new ATOM 0 HG2 LYS A 632 18.502 9.058 -0.249 1.00 0.00 H new ATOM 0 HG3 LYS A 632 17.970 7.953 1.002 1.00 0.00 H new ATOM 0 HD2 LYS A 632 20.579 7.203 -0.167 1.00 0.00 H new ATOM 0 HD3 LYS A 632 20.581 8.795 0.565 1.00 0.00 H new ATOM 0 HE2 LYS A 632 19.490 6.359 2.033 1.00 0.00 H new ATOM 0 HE3 LYS A 632 21.191 6.780 2.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 632 20.756 8.245 3.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 632 19.699 9.093 2.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 632 19.108 7.837 3.606 1.00 0.00 H new ATOM 312 N GLY A 633 15.710 4.546 -0.984 1.00 0.00 N ATOM 313 CA GLY A 633 14.711 3.809 -1.749 1.00 0.00 C ATOM 314 C GLY A 633 13.266 4.192 -1.415 1.00 0.00 C ATOM 315 O GLY A 633 13.016 5.174 -0.707 1.00 0.00 O ATOM 0 H GLY A 633 15.398 4.791 -0.044 1.00 0.00 H new ATOM 0 HA2 GLY A 633 14.885 3.977 -2.812 1.00 0.00 H new ATOM 0 HA3 GLY A 633 14.844 2.742 -1.569 1.00 0.00 H new ATOM 319 N MET A 634 12.303 3.412 -1.917 1.00 0.00 N ATOM 320 CA MET A 634 10.857 3.565 -1.740 1.00 0.00 C ATOM 321 C MET A 634 10.170 2.205 -1.929 1.00 0.00 C ATOM 322 O MET A 634 10.709 1.354 -2.639 1.00 0.00 O ATOM 323 CB MET A 634 10.295 4.467 -2.862 1.00 0.00 C ATOM 324 CG MET A 634 10.628 5.958 -2.749 1.00 0.00 C ATOM 325 SD MET A 634 10.011 6.789 -1.258 1.00 0.00 S ATOM 326 CE MET A 634 8.220 6.602 -1.469 1.00 0.00 C ATOM 0 H MET A 634 12.529 2.603 -2.496 1.00 0.00 H new ATOM 0 HA MET A 634 10.677 3.981 -0.749 1.00 0.00 H new ATOM 0 HB2 MET A 634 10.670 4.102 -3.818 1.00 0.00 H new ATOM 0 HB3 MET A 634 9.211 4.357 -2.882 1.00 0.00 H new ATOM 0 HG2 MET A 634 11.711 6.074 -2.786 1.00 0.00 H new ATOM 0 HG3 MET A 634 10.223 6.470 -3.622 1.00 0.00 H new ATOM 0 HE1 MET A 634 7.702 7.141 -0.676 1.00 0.00 H new ATOM 0 HE2 MET A 634 7.923 7.007 -2.436 1.00 0.00 H new ATOM 0 HE3 MET A 634 7.956 5.545 -1.422 1.00 0.00 H new ATOM 336 N ARG A 635 8.989 2.003 -1.331 1.00 0.00 N ATOM 337 CA ARG A 635 8.170 0.793 -1.465 1.00 0.00 C ATOM 338 C ARG A 635 6.731 1.212 -1.793 1.00 0.00 C ATOM 339 O ARG A 635 6.380 2.370 -1.533 1.00 0.00 O ATOM 340 CB ARG A 635 8.232 -0.056 -0.194 1.00 0.00 C ATOM 341 CG ARG A 635 7.686 0.685 1.025 1.00 0.00 C ATOM 342 CD ARG A 635 7.581 -0.253 2.216 1.00 0.00 C ATOM 343 NE ARG A 635 8.904 -0.489 2.786 1.00 0.00 N ATOM 344 CZ ARG A 635 9.377 -1.670 3.209 1.00 0.00 C ATOM 345 NH1 ARG A 635 8.900 -2.818 2.736 1.00 0.00 N ATOM 346 NH2 ARG A 635 10.343 -1.660 4.113 1.00 0.00 N ATOM 0 H ARG A 635 8.564 2.701 -0.721 1.00 0.00 H new ATOM 0 HA ARG A 635 8.557 0.173 -2.274 1.00 0.00 H new ATOM 0 HB2 ARG A 635 7.662 -0.973 -0.344 1.00 0.00 H new ATOM 0 HB3 ARG A 635 9.265 -0.349 -0.006 1.00 0.00 H new ATOM 0 HG2 ARG A 635 8.339 1.523 1.271 1.00 0.00 H new ATOM 0 HG3 ARG A 635 6.705 1.102 0.795 1.00 0.00 H new ATOM 0 HD2 ARG A 635 6.923 0.177 2.971 1.00 0.00 H new ATOM 0 HD3 ARG A 635 7.136 -1.198 1.906 1.00 0.00 H new ATOM 0 HE ARG A 635 9.524 0.317 2.870 1.00 0.00 H new ATOM 0 HH11 ARG A 635 8.158 -2.812 2.036 1.00 0.00 H new ATOM 0 HH12 ARG A 635 9.276 -3.704 3.073 1.00 0.00 H new ATOM 0 HH21 ARG A 635 10.703 -0.773 4.465 1.00 0.00 H new ATOM 0 HH22 ARG A 635 10.728 -2.539 4.458 1.00 0.00 H new ATOM 360 N THR A 636 5.888 0.300 -2.285 1.00 0.00 N ATOM 361 CA THR A 636 4.495 0.601 -2.639 1.00 0.00 C ATOM 362 C THR A 636 3.630 -0.644 -2.444 1.00 0.00 C ATOM 363 O THR A 636 4.063 -1.730 -2.818 1.00 0.00 O ATOM 364 CB THR A 636 4.375 1.101 -4.081 1.00 0.00 C ATOM 365 OG1 THR A 636 5.151 0.328 -4.980 1.00 0.00 O ATOM 366 CG2 THR A 636 4.792 2.558 -4.251 1.00 0.00 C ATOM 0 H THR A 636 6.152 -0.671 -2.450 1.00 0.00 H new ATOM 0 HA THR A 636 4.146 1.397 -1.981 1.00 0.00 H new ATOM 0 HB THR A 636 3.314 1.003 -4.312 1.00 0.00 H new ATOM 0 HG1 THR A 636 5.045 0.679 -5.889 1.00 0.00 H new ATOM 0 HG21 THR A 636 4.683 2.848 -5.296 1.00 0.00 H new ATOM 0 HG22 THR A 636 4.159 3.192 -3.630 1.00 0.00 H new ATOM 0 HG23 THR A 636 5.832 2.676 -3.948 1.00 0.00 H new ATOM 374 N ARG A 637 2.460 -0.548 -1.799 1.00 0.00 N ATOM 375 CA ARG A 637 1.562 -1.692 -1.583 1.00 0.00 C ATOM 376 C ARG A 637 0.160 -1.289 -2.014 1.00 0.00 C ATOM 377 O ARG A 637 -0.227 -0.136 -1.805 1.00 0.00 O ATOM 378 CB ARG A 637 1.603 -2.236 -0.130 1.00 0.00 C ATOM 379 CG ARG A 637 1.030 -1.327 0.978 1.00 0.00 C ATOM 380 CD ARG A 637 0.709 -2.065 2.289 1.00 0.00 C ATOM 381 NE ARG A 637 0.581 -1.213 3.496 1.00 0.00 N ATOM 382 CZ ARG A 637 0.175 0.056 3.666 1.00 0.00 C ATOM 383 NH1 ARG A 637 -0.296 0.811 2.677 1.00 0.00 N ATOM 384 NH2 ARG A 637 0.250 0.583 4.880 1.00 0.00 N ATOM 0 H ARG A 637 2.108 0.327 -1.411 1.00 0.00 H new ATOM 0 HA ARG A 637 1.905 -2.527 -2.193 1.00 0.00 H new ATOM 0 HB2 ARG A 637 1.060 -3.181 -0.107 1.00 0.00 H new ATOM 0 HB3 ARG A 637 2.641 -2.459 0.118 1.00 0.00 H new ATOM 0 HG2 ARG A 637 1.745 -0.531 1.187 1.00 0.00 H new ATOM 0 HG3 ARG A 637 0.122 -0.851 0.609 1.00 0.00 H new ATOM 0 HD2 ARG A 637 -0.223 -2.615 2.155 1.00 0.00 H new ATOM 0 HD3 ARG A 637 1.491 -2.802 2.469 1.00 0.00 H new ATOM 0 HE ARG A 637 0.853 -1.679 4.362 1.00 0.00 H new ATOM 0 HH11 ARG A 637 -0.363 0.431 1.733 1.00 0.00 H new ATOM 0 HH12 ARG A 637 -0.591 1.770 2.863 1.00 0.00 H new ATOM 0 HH21 ARG A 637 0.609 0.027 5.656 1.00 0.00 H new ATOM 0 HH22 ARG A 637 -0.051 1.545 5.038 1.00 0.00 H new ATOM 398 N GLN A 638 -0.606 -2.229 -2.568 1.00 0.00 N ATOM 399 CA GLN A 638 -1.967 -1.992 -3.020 1.00 0.00 C ATOM 400 C GLN A 638 -2.922 -3.044 -2.478 1.00 0.00 C ATOM 401 O GLN A 638 -2.497 -4.109 -2.022 1.00 0.00 O ATOM 402 CB GLN A 638 -2.036 -1.882 -4.549 1.00 0.00 C ATOM 403 CG GLN A 638 -1.764 -3.195 -5.295 1.00 0.00 C ATOM 404 CD GLN A 638 -1.848 -2.977 -6.800 1.00 0.00 C ATOM 405 OE1 GLN A 638 -2.920 -2.743 -7.355 1.00 0.00 O ATOM 406 NE2 GLN A 638 -0.730 -3.024 -7.495 1.00 0.00 N ATOM 0 H GLN A 638 -0.290 -3.187 -2.715 1.00 0.00 H new ATOM 0 HA GLN A 638 -2.290 -1.032 -2.617 1.00 0.00 H new ATOM 0 HB2 GLN A 638 -3.024 -1.517 -4.830 1.00 0.00 H new ATOM 0 HB3 GLN A 638 -1.314 -1.135 -4.880 1.00 0.00 H new ATOM 0 HG2 GLN A 638 -0.777 -3.573 -5.030 1.00 0.00 H new ATOM 0 HG3 GLN A 638 -2.487 -3.951 -4.990 1.00 0.00 H new ATOM 0 HE21 GLN A 638 0.154 -3.219 -7.026 1.00 0.00 H new ATOM 0 HE22 GLN A 638 -0.749 -2.866 -8.502 1.00 0.00 H new ATOM 415 N ARG A 639 -4.219 -2.773 -2.514 1.00 0.00 N ATOM 416 CA ARG A 639 -5.257 -3.674 -2.041 1.00 0.00 C ATOM 417 C ARG A 639 -6.382 -3.679 -3.048 1.00 0.00 C ATOM 418 O ARG A 639 -6.768 -2.637 -3.570 1.00 0.00 O ATOM 419 CB ARG A 639 -5.754 -3.293 -0.646 1.00 0.00 C ATOM 420 CG ARG A 639 -6.058 -1.805 -0.428 1.00 0.00 C ATOM 421 CD ARG A 639 -6.875 -1.685 0.857 1.00 0.00 C ATOM 422 NE ARG A 639 -7.014 -0.301 1.327 1.00 0.00 N ATOM 423 CZ ARG A 639 -7.320 -0.011 2.601 1.00 0.00 C ATOM 424 NH1 ARG A 639 -7.735 -0.967 3.435 1.00 0.00 N ATOM 425 NH2 ARG A 639 -7.225 1.222 3.069 1.00 0.00 N ATOM 0 H ARG A 639 -4.587 -1.896 -2.883 1.00 0.00 H new ATOM 0 HA ARG A 639 -4.844 -4.678 -1.948 1.00 0.00 H new ATOM 0 HB2 ARG A 639 -6.658 -3.864 -0.435 1.00 0.00 H new ATOM 0 HB3 ARG A 639 -5.005 -3.602 0.083 1.00 0.00 H new ATOM 0 HG2 ARG A 639 -5.134 -1.233 -0.349 1.00 0.00 H new ATOM 0 HG3 ARG A 639 -6.613 -1.399 -1.274 1.00 0.00 H new ATOM 0 HD2 ARG A 639 -7.866 -2.107 0.690 1.00 0.00 H new ATOM 0 HD3 ARG A 639 -6.402 -2.281 1.637 1.00 0.00 H new ATOM 0 HE ARG A 639 -6.874 0.463 0.666 1.00 0.00 H new ATOM 0 HH11 ARG A 639 -7.822 -1.928 3.106 1.00 0.00 H new ATOM 0 HH12 ARG A 639 -7.965 -0.736 4.402 1.00 0.00 H new ATOM 0 HH21 ARG A 639 -6.914 1.977 2.458 1.00 0.00 H new ATOM 0 HH22 ARG A 639 -7.463 1.418 4.041 1.00 0.00 H new ATOM 439 N MET A 640 -6.886 -4.870 -3.317 1.00 0.00 N ATOM 440 CA MET A 640 -7.959 -5.093 -4.264 1.00 0.00 C ATOM 441 C MET A 640 -9.274 -4.607 -3.648 1.00 0.00 C ATOM 442 O MET A 640 -9.535 -4.848 -2.465 1.00 0.00 O ATOM 443 CB MET A 640 -8.057 -6.595 -4.595 1.00 0.00 C ATOM 444 CG MET A 640 -6.727 -7.367 -4.665 1.00 0.00 C ATOM 445 SD MET A 640 -6.907 -9.167 -4.760 1.00 0.00 S ATOM 446 CE MET A 640 -7.204 -9.400 -6.524 1.00 0.00 C ATOM 0 H MET A 640 -6.553 -5.726 -2.873 1.00 0.00 H new ATOM 0 HA MET A 640 -7.761 -4.543 -5.184 1.00 0.00 H new ATOM 0 HB2 MET A 640 -8.689 -7.070 -3.845 1.00 0.00 H new ATOM 0 HB3 MET A 640 -8.565 -6.702 -5.553 1.00 0.00 H new ATOM 0 HG2 MET A 640 -6.168 -7.024 -5.536 1.00 0.00 H new ATOM 0 HG3 MET A 640 -6.131 -7.120 -3.786 1.00 0.00 H new ATOM 0 HE1 MET A 640 -7.334 -10.462 -6.734 1.00 0.00 H new ATOM 0 HE2 MET A 640 -8.104 -8.859 -6.816 1.00 0.00 H new ATOM 0 HE3 MET A 640 -6.353 -9.020 -7.090 1.00 0.00 H new ATOM 456 N LEU A 641 -10.106 -3.905 -4.421 1.00 0.00 N ATOM 457 CA LEU A 641 -11.405 -3.439 -3.936 1.00 0.00 C ATOM 458 C LEU A 641 -12.233 -4.696 -3.716 1.00 0.00 C ATOM 459 O LEU A 641 -12.340 -5.540 -4.607 1.00 0.00 O ATOM 460 CB LEU A 641 -12.076 -2.569 -5.006 1.00 0.00 C ATOM 461 CG LEU A 641 -13.500 -2.102 -4.694 1.00 0.00 C ATOM 462 CD1 LEU A 641 -13.594 -1.343 -3.373 1.00 0.00 C ATOM 463 CD2 LEU A 641 -13.984 -1.205 -5.838 1.00 0.00 C ATOM 0 H LEU A 641 -9.902 -3.647 -5.387 1.00 0.00 H new ATOM 0 HA LEU A 641 -11.309 -2.845 -3.027 1.00 0.00 H new ATOM 0 HB2 LEU A 641 -11.455 -1.689 -5.173 1.00 0.00 H new ATOM 0 HB3 LEU A 641 -12.095 -3.128 -5.941 1.00 0.00 H new ATOM 0 HG LEU A 641 -14.129 -2.987 -4.597 1.00 0.00 H new ATOM 0 HD11 LEU A 641 -14.626 -1.036 -3.203 1.00 0.00 H new ATOM 0 HD12 LEU A 641 -13.269 -1.989 -2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 641 -12.955 -0.461 -3.414 1.00 0.00 H new ATOM 0 HD21 LEU A 641 -14.998 -0.864 -5.629 1.00 0.00 H new ATOM 0 HD22 LEU A 641 -13.323 -0.343 -5.929 1.00 0.00 H new ATOM 0 HD23 LEU A 641 -13.975 -1.769 -6.771 1.00 0.00 H new ATOM 475 N LYS A 642 -12.838 -4.825 -2.540 1.00 0.00 N ATOM 476 CA LYS A 642 -13.647 -5.988 -2.208 1.00 0.00 C ATOM 477 C LYS A 642 -15.133 -5.637 -2.170 1.00 0.00 C ATOM 478 O LYS A 642 -15.900 -6.423 -1.613 1.00 0.00 O ATOM 479 CB LYS A 642 -13.092 -6.630 -0.913 1.00 0.00 C ATOM 480 CG LYS A 642 -12.656 -8.086 -1.115 1.00 0.00 C ATOM 481 CD LYS A 642 -13.839 -9.022 -1.377 1.00 0.00 C ATOM 482 CE LYS A 642 -13.330 -10.458 -1.507 1.00 0.00 C ATOM 483 NZ LYS A 642 -14.443 -11.420 -1.554 1.00 0.00 N ATOM 0 H LYS A 642 -12.781 -4.130 -1.796 1.00 0.00 H new ATOM 0 HA LYS A 642 -13.575 -6.745 -2.988 1.00 0.00 H new ATOM 0 HB2 LYS A 642 -12.243 -6.046 -0.558 1.00 0.00 H new ATOM 0 HB3 LYS A 642 -13.855 -6.588 -0.136 1.00 0.00 H new ATOM 0 HG2 LYS A 642 -11.961 -8.141 -1.953 1.00 0.00 H new ATOM 0 HG3 LYS A 642 -12.117 -8.426 -0.231 1.00 0.00 H new ATOM 0 HD2 LYS A 642 -14.560 -8.952 -0.562 1.00 0.00 H new ATOM 0 HD3 LYS A 642 -14.358 -8.724 -2.288 1.00 0.00 H new ATOM 0 HE2 LYS A 642 -12.728 -10.552 -2.411 1.00 0.00 H new ATOM 0 HE3 LYS A 642 -12.679 -10.693 -0.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 642 -14.065 -12.385 -1.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 642 -15.003 -11.346 -0.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 642 -15.049 -11.210 -2.372 1.00 0.00 H new ATOM 497 N SER A 643 -15.560 -4.488 -2.714 1.00 0.00 N ATOM 498 CA SER A 643 -16.977 -4.131 -2.671 1.00 0.00 C ATOM 499 C SER A 643 -17.842 -5.150 -3.429 1.00 0.00 C ATOM 500 O SER A 643 -17.341 -6.056 -4.102 1.00 0.00 O ATOM 501 CB SER A 643 -17.171 -2.697 -3.175 1.00 0.00 C ATOM 502 OG SER A 643 -16.649 -2.543 -4.472 1.00 0.00 O ATOM 0 H SER A 643 -14.958 -3.808 -3.177 1.00 0.00 H new ATOM 0 HA SER A 643 -17.317 -4.166 -1.636 1.00 0.00 H new ATOM 0 HB2 SER A 643 -18.232 -2.448 -3.174 1.00 0.00 H new ATOM 0 HB3 SER A 643 -16.680 -2.000 -2.496 1.00 0.00 H new ATOM 0 HG SER A 643 -16.924 -1.675 -4.835 1.00 0.00 H new ATOM 508 N LEU A 644 -19.162 -5.026 -3.288 1.00 0.00 N ATOM 509 CA LEU A 644 -20.154 -5.880 -3.934 1.00 0.00 C ATOM 510 C LEU A 644 -21.203 -5.050 -4.670 1.00 0.00 C ATOM 511 O LEU A 644 -21.917 -5.610 -5.504 1.00 0.00 O ATOM 512 CB LEU A 644 -20.853 -6.828 -2.934 1.00 0.00 C ATOM 513 CG LEU A 644 -21.760 -6.126 -1.895 1.00 0.00 C ATOM 514 CD1 LEU A 644 -22.961 -6.985 -1.512 1.00 0.00 C ATOM 515 CD2 LEU A 644 -21.013 -5.801 -0.603 1.00 0.00 C ATOM 0 H LEU A 644 -19.582 -4.305 -2.702 1.00 0.00 H new ATOM 0 HA LEU A 644 -19.609 -6.490 -4.654 1.00 0.00 H new ATOM 0 HB2 LEU A 644 -21.454 -7.544 -3.494 1.00 0.00 H new ATOM 0 HB3 LEU A 644 -20.091 -7.398 -2.403 1.00 0.00 H new ATOM 0 HG LEU A 644 -22.089 -5.208 -2.381 1.00 0.00 H new ATOM 0 HD11 LEU A 644 -23.570 -6.453 -0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 644 -23.558 -7.192 -2.400 1.00 0.00 H new ATOM 0 HD13 LEU A 644 -22.614 -7.924 -1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 644 -21.690 -5.309 0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 644 -20.639 -6.723 -0.157 1.00 0.00 H new ATOM 0 HD23 LEU A 644 -20.176 -5.139 -0.823 1.00 0.00 H new ATOM 527 N ALA A 645 -21.305 -3.750 -4.390 1.00 0.00 N ATOM 528 CA ALA A 645 -22.270 -2.853 -4.995 1.00 0.00 C ATOM 529 C ALA A 645 -21.570 -1.719 -5.735 1.00 0.00 C ATOM 530 O ALA A 645 -21.728 -1.607 -6.949 1.00 0.00 O ATOM 531 CB ALA A 645 -23.208 -2.321 -3.911 1.00 0.00 C ATOM 0 H ALA A 645 -20.697 -3.286 -3.715 1.00 0.00 H new ATOM 0 HA ALA A 645 -22.859 -3.398 -5.733 1.00 0.00 H new ATOM 0 HB1 ALA A 645 -23.936 -1.646 -4.360 1.00 0.00 H new ATOM 0 HB2 ALA A 645 -23.728 -3.154 -3.439 1.00 0.00 H new ATOM 0 HB3 ALA A 645 -22.629 -1.783 -3.160 1.00 0.00 H new ATOM 537 N GLU A 646 -20.825 -0.878 -5.019 1.00 0.00 N ATOM 538 CA GLU A 646 -20.093 0.264 -5.556 1.00 0.00 C ATOM 539 C GLU A 646 -19.107 0.773 -4.502 1.00 0.00 C ATOM 540 O GLU A 646 -19.076 0.255 -3.376 1.00 0.00 O ATOM 541 CB GLU A 646 -21.080 1.385 -5.955 1.00 0.00 C ATOM 542 CG GLU A 646 -21.905 1.939 -4.781 1.00 0.00 C ATOM 543 CD GLU A 646 -22.922 2.960 -5.281 1.00 0.00 C ATOM 544 OE1 GLU A 646 -22.557 4.152 -5.423 1.00 0.00 O ATOM 545 OE2 GLU A 646 -24.080 2.561 -5.545 1.00 0.00 O ATOM 0 H GLU A 646 -20.712 -0.979 -4.010 1.00 0.00 H new ATOM 0 HA GLU A 646 -19.541 -0.042 -6.445 1.00 0.00 H new ATOM 0 HB2 GLU A 646 -20.521 2.202 -6.410 1.00 0.00 H new ATOM 0 HB3 GLU A 646 -21.761 1.002 -6.715 1.00 0.00 H new ATOM 0 HG2 GLU A 646 -22.419 1.123 -4.272 1.00 0.00 H new ATOM 0 HG3 GLU A 646 -21.243 2.403 -4.050 1.00 0.00 H new ATOM 552 N LEU A 647 -18.272 1.750 -4.869 1.00 0.00 N ATOM 553 CA LEU A 647 -17.312 2.365 -3.965 1.00 0.00 C ATOM 554 C LEU A 647 -16.937 3.743 -4.481 1.00 0.00 C ATOM 555 O LEU A 647 -16.414 3.879 -5.588 1.00 0.00 O ATOM 556 CB LEU A 647 -16.049 1.512 -3.771 1.00 0.00 C ATOM 557 CG LEU A 647 -15.164 1.946 -2.580 1.00 0.00 C ATOM 558 CD1 LEU A 647 -14.220 3.128 -2.784 1.00 0.00 C ATOM 559 CD2 LEU A 647 -15.968 2.183 -1.302 1.00 0.00 C ATOM 0 H LEU A 647 -18.248 2.136 -5.813 1.00 0.00 H new ATOM 0 HA LEU A 647 -17.790 2.447 -2.989 1.00 0.00 H new ATOM 0 HB2 LEU A 647 -16.345 0.473 -3.628 1.00 0.00 H new ATOM 0 HB3 LEU A 647 -15.454 1.552 -4.684 1.00 0.00 H new ATOM 0 HG LEU A 647 -14.518 1.073 -2.489 1.00 0.00 H new ATOM 0 HD11 LEU A 647 -13.666 3.314 -1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 647 -13.521 2.901 -3.589 1.00 0.00 H new ATOM 0 HD13 LEU A 647 -14.798 4.014 -3.045 1.00 0.00 H new ATOM 0 HD21 LEU A 647 -15.295 2.485 -0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 647 -16.703 2.969 -1.475 1.00 0.00 H new ATOM 0 HD23 LEU A 647 -16.480 1.264 -1.019 1.00 0.00 H new ATOM 571 N GLY A 648 -17.179 4.754 -3.661 1.00 0.00 N ATOM 572 CA GLY A 648 -16.886 6.149 -3.941 1.00 0.00 C ATOM 573 C GLY A 648 -16.955 6.923 -2.635 1.00 0.00 C ATOM 574 O GLY A 648 -16.005 7.608 -2.274 1.00 0.00 O ATOM 0 H GLY A 648 -17.603 4.618 -2.743 1.00 0.00 H new ATOM 0 HA2 GLY A 648 -15.897 6.247 -4.388 1.00 0.00 H new ATOM 0 HA3 GLY A 648 -17.602 6.551 -4.659 1.00 0.00 H new ATOM 578 N ASP A 649 -18.028 6.696 -1.880 1.00 0.00 N ATOM 579 CA ASP A 649 -18.403 7.275 -0.593 1.00 0.00 C ATOM 580 C ASP A 649 -17.231 7.703 0.295 1.00 0.00 C ATOM 581 O ASP A 649 -16.917 8.892 0.385 1.00 0.00 O ATOM 582 CB ASP A 649 -19.346 6.309 0.144 1.00 0.00 C ATOM 583 CG ASP A 649 -20.599 6.015 -0.671 1.00 0.00 C ATOM 584 OD1 ASP A 649 -20.525 5.141 -1.560 1.00 0.00 O ATOM 585 OD2 ASP A 649 -21.616 6.719 -0.482 1.00 0.00 O ATOM 0 H ASP A 649 -18.733 6.028 -2.191 1.00 0.00 H new ATOM 0 HA ASP A 649 -18.916 8.210 -0.816 1.00 0.00 H new ATOM 0 HB2 ASP A 649 -18.821 5.377 0.354 1.00 0.00 H new ATOM 0 HB3 ASP A 649 -19.629 6.739 1.105 1.00 0.00 H new ATOM 590 N CYS A 650 -16.557 6.738 0.929 1.00 0.00 N ATOM 591 CA CYS A 650 -15.438 6.994 1.830 1.00 0.00 C ATOM 592 C CYS A 650 -14.176 7.538 1.150 1.00 0.00 C ATOM 593 O CYS A 650 -13.258 7.943 1.866 1.00 0.00 O ATOM 594 CB CYS A 650 -15.053 5.697 2.550 1.00 0.00 C ATOM 595 SG CYS A 650 -16.399 4.763 3.316 1.00 0.00 S ATOM 0 H CYS A 650 -16.779 5.748 0.827 1.00 0.00 H new ATOM 0 HA CYS A 650 -15.793 7.765 2.513 1.00 0.00 H new ATOM 0 HB2 CYS A 650 -14.552 5.046 1.834 1.00 0.00 H new ATOM 0 HB3 CYS A 650 -14.325 5.940 3.323 1.00 0.00 H new ATOM 600 N ASN A 651 -14.097 7.543 -0.188 1.00 0.00 N ATOM 601 CA ASN A 651 -12.942 8.001 -0.973 1.00 0.00 C ATOM 602 C ASN A 651 -11.682 7.187 -0.613 1.00 0.00 C ATOM 603 O ASN A 651 -10.561 7.695 -0.682 1.00 0.00 O ATOM 604 CB ASN A 651 -12.741 9.528 -0.851 1.00 0.00 C ATOM 605 CG ASN A 651 -13.512 10.355 -1.867 1.00 0.00 C ATOM 606 OD1 ASN A 651 -12.944 11.240 -2.500 1.00 0.00 O ATOM 607 ND2 ASN A 651 -14.810 10.149 -2.029 1.00 0.00 N ATOM 0 H ASN A 651 -14.864 7.216 -0.775 1.00 0.00 H new ATOM 0 HA ASN A 651 -13.143 7.815 -2.028 1.00 0.00 H new ATOM 0 HB2 ASN A 651 -13.037 9.840 0.151 1.00 0.00 H new ATOM 0 HB3 ASN A 651 -11.679 9.750 -0.954 1.00 0.00 H new ATOM 0 HD21 ASN A 651 -15.341 10.727 -2.681 1.00 0.00 H new ATOM 0 HD22 ASN A 651 -15.279 9.413 -1.502 1.00 0.00 H new ATOM 614 N GLU A 652 -11.855 5.923 -0.206 1.00 0.00 N ATOM 615 CA GLU A 652 -10.758 5.045 0.175 1.00 0.00 C ATOM 616 C GLU A 652 -9.794 4.846 -1.001 1.00 0.00 C ATOM 617 O GLU A 652 -10.161 4.985 -2.169 1.00 0.00 O ATOM 618 CB GLU A 652 -11.313 3.700 0.666 1.00 0.00 C ATOM 619 CG GLU A 652 -10.387 2.974 1.649 1.00 0.00 C ATOM 620 CD GLU A 652 -10.388 3.592 3.042 1.00 0.00 C ATOM 621 OE1 GLU A 652 -11.364 3.405 3.801 1.00 0.00 O ATOM 622 OE2 GLU A 652 -9.381 4.245 3.401 1.00 0.00 O ATOM 0 H GLU A 652 -12.773 5.483 -0.134 1.00 0.00 H new ATOM 0 HA GLU A 652 -10.200 5.507 0.989 1.00 0.00 H new ATOM 0 HB2 GLU A 652 -12.277 3.868 1.145 1.00 0.00 H new ATOM 0 HB3 GLU A 652 -11.493 3.055 -0.194 1.00 0.00 H new ATOM 0 HG2 GLU A 652 -10.691 1.930 1.721 1.00 0.00 H new ATOM 0 HG3 GLU A 652 -9.371 2.983 1.255 1.00 0.00 H new ATOM 629 N ASP A 653 -8.567 4.472 -0.674 1.00 0.00 N ATOM 630 CA ASP A 653 -7.450 4.236 -1.582 1.00 0.00 C ATOM 631 C ASP A 653 -7.446 2.804 -2.111 1.00 0.00 C ATOM 632 O ASP A 653 -8.296 1.969 -1.770 1.00 0.00 O ATOM 633 CB ASP A 653 -6.117 4.458 -0.833 1.00 0.00 C ATOM 634 CG ASP A 653 -6.003 5.789 -0.095 1.00 0.00 C ATOM 635 OD1 ASP A 653 -6.651 5.929 0.967 1.00 0.00 O ATOM 636 OD2 ASP A 653 -5.187 6.649 -0.493 1.00 0.00 O ATOM 0 H ASP A 653 -8.305 4.314 0.299 1.00 0.00 H new ATOM 0 HA ASP A 653 -7.559 4.929 -2.416 1.00 0.00 H new ATOM 0 HB2 ASP A 653 -5.983 3.649 -0.115 1.00 0.00 H new ATOM 0 HB3 ASP A 653 -5.299 4.387 -1.550 1.00 0.00 H new ATOM 641 N LEU A 654 -6.455 2.527 -2.952 1.00 0.00 N ATOM 642 CA LEU A 654 -6.175 1.243 -3.565 1.00 0.00 C ATOM 643 C LEU A 654 -4.686 1.017 -3.396 1.00 0.00 C ATOM 644 O LEU A 654 -4.328 -0.044 -2.905 1.00 0.00 O ATOM 645 CB LEU A 654 -6.540 1.189 -5.061 1.00 0.00 C ATOM 646 CG LEU A 654 -8.018 0.930 -5.384 1.00 0.00 C ATOM 647 CD1 LEU A 654 -8.233 1.034 -6.897 1.00 0.00 C ATOM 648 CD2 LEU A 654 -8.487 -0.464 -4.953 1.00 0.00 C ATOM 0 H LEU A 654 -5.786 3.242 -3.239 1.00 0.00 H new ATOM 0 HA LEU A 654 -6.781 0.474 -3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 654 -6.248 2.134 -5.520 1.00 0.00 H new ATOM 0 HB3 LEU A 654 -5.943 0.408 -5.532 1.00 0.00 H new ATOM 0 HG LEU A 654 -8.591 1.676 -4.834 1.00 0.00 H new ATOM 0 HD11 LEU A 654 -9.282 0.850 -7.129 1.00 0.00 H new ATOM 0 HD12 LEU A 654 -7.956 2.032 -7.236 1.00 0.00 H new ATOM 0 HD13 LEU A 654 -7.614 0.294 -7.404 1.00 0.00 H new ATOM 0 HD21 LEU A 654 -9.540 -0.589 -5.207 1.00 0.00 H new ATOM 0 HD22 LEU A 654 -7.897 -1.222 -5.468 1.00 0.00 H new ATOM 0 HD23 LEU A 654 -8.358 -0.574 -3.876 1.00 0.00 H new ATOM 660 N GLU A 655 -3.832 1.992 -3.725 1.00 0.00 N ATOM 661 CA GLU A 655 -2.378 1.886 -3.592 1.00 0.00 C ATOM 662 C GLU A 655 -1.847 3.048 -2.746 1.00 0.00 C ATOM 663 O GLU A 655 -2.484 4.100 -2.649 1.00 0.00 O ATOM 664 CB GLU A 655 -1.711 1.801 -4.982 1.00 0.00 C ATOM 665 CG GLU A 655 -0.174 1.687 -4.889 1.00 0.00 C ATOM 666 CD GLU A 655 0.493 0.841 -5.978 1.00 0.00 C ATOM 667 OE1 GLU A 655 0.250 1.033 -7.190 1.00 0.00 O ATOM 668 OE2 GLU A 655 1.354 0.004 -5.622 1.00 0.00 O ATOM 0 H GLU A 655 -4.138 2.891 -4.097 1.00 0.00 H new ATOM 0 HA GLU A 655 -2.123 0.964 -3.070 1.00 0.00 H new ATOM 0 HB2 GLU A 655 -2.105 0.938 -5.519 1.00 0.00 H new ATOM 0 HB3 GLU A 655 -1.973 2.685 -5.563 1.00 0.00 H new ATOM 0 HG2 GLU A 655 0.250 2.691 -4.923 1.00 0.00 H new ATOM 0 HG3 GLU A 655 0.083 1.265 -3.917 1.00 0.00 H new ATOM 675 N GLN A 656 -0.697 2.832 -2.105 1.00 0.00 N ATOM 676 CA GLN A 656 0.022 3.777 -1.271 1.00 0.00 C ATOM 677 C GLN A 656 1.516 3.476 -1.373 1.00 0.00 C ATOM 678 O GLN A 656 1.911 2.377 -1.772 1.00 0.00 O ATOM 679 CB GLN A 656 -0.435 3.683 0.199 1.00 0.00 C ATOM 680 CG GLN A 656 -1.267 4.896 0.631 1.00 0.00 C ATOM 681 CD GLN A 656 -0.418 6.156 0.833 1.00 0.00 C ATOM 682 OE1 GLN A 656 0.392 6.539 -0.011 1.00 0.00 O ATOM 683 NE2 GLN A 656 -0.575 6.836 1.955 1.00 0.00 N ATOM 0 H GLN A 656 -0.219 1.933 -2.163 1.00 0.00 H new ATOM 0 HA GLN A 656 -0.185 4.789 -1.618 1.00 0.00 H new ATOM 0 HB2 GLN A 656 -1.022 2.775 0.337 1.00 0.00 H new ATOM 0 HB3 GLN A 656 0.440 3.597 0.844 1.00 0.00 H new ATOM 0 HG2 GLN A 656 -2.030 5.094 -0.122 1.00 0.00 H new ATOM 0 HG3 GLN A 656 -1.788 4.662 1.559 1.00 0.00 H new ATOM 0 HE21 GLN A 656 -1.246 6.518 2.654 1.00 0.00 H new ATOM 0 HE22 GLN A 656 -0.025 7.679 2.122 1.00 0.00 H new ATOM 692 N ALA A 657 2.337 4.450 -0.987 1.00 0.00 N ATOM 693 CA ALA A 657 3.790 4.381 -0.993 1.00 0.00 C ATOM 694 C ALA A 657 4.328 4.665 0.402 1.00 0.00 C ATOM 695 O ALA A 657 3.589 5.131 1.271 1.00 0.00 O ATOM 696 CB ALA A 657 4.340 5.387 -2.005 1.00 0.00 C ATOM 0 H ALA A 657 1.989 5.347 -0.647 1.00 0.00 H new ATOM 0 HA ALA A 657 4.111 3.381 -1.284 1.00 0.00 H new ATOM 0 HB1 ALA A 657 5.429 5.338 -2.012 1.00 0.00 H new ATOM 0 HB2 ALA A 657 3.960 5.149 -2.998 1.00 0.00 H new ATOM 0 HB3 ALA A 657 4.024 6.392 -1.727 1.00 0.00 H new ATOM 702 N GLU A 658 5.605 4.364 0.623 1.00 0.00 N ATOM 703 CA GLU A 658 6.283 4.574 1.892 1.00 0.00 C ATOM 704 C GLU A 658 7.780 4.752 1.625 1.00 0.00 C ATOM 705 O GLU A 658 8.343 4.186 0.678 1.00 0.00 O ATOM 706 CB GLU A 658 5.975 3.384 2.820 1.00 0.00 C ATOM 707 CG GLU A 658 6.896 3.179 4.025 1.00 0.00 C ATOM 708 CD GLU A 658 6.845 4.295 5.071 1.00 0.00 C ATOM 709 OE1 GLU A 658 6.802 5.483 4.693 1.00 0.00 O ATOM 710 OE2 GLU A 658 6.943 3.955 6.276 1.00 0.00 O ATOM 0 H GLU A 658 6.207 3.959 -0.093 1.00 0.00 H new ATOM 0 HA GLU A 658 5.932 5.476 2.393 1.00 0.00 H new ATOM 0 HB2 GLU A 658 4.956 3.499 3.190 1.00 0.00 H new ATOM 0 HB3 GLU A 658 5.996 2.474 2.220 1.00 0.00 H new ATOM 0 HG2 GLU A 658 6.636 2.237 4.507 1.00 0.00 H new ATOM 0 HG3 GLU A 658 7.921 3.082 3.668 1.00 0.00 H new ATOM 717 N LYS A 659 8.409 5.615 2.421 1.00 0.00 N ATOM 718 CA LYS A 659 9.829 5.926 2.354 1.00 0.00 C ATOM 719 C LYS A 659 10.595 4.731 2.903 1.00 0.00 C ATOM 720 O LYS A 659 10.217 4.172 3.933 1.00 0.00 O ATOM 721 CB LYS A 659 10.145 7.237 3.095 1.00 0.00 C ATOM 722 CG LYS A 659 9.595 7.359 4.529 1.00 0.00 C ATOM 723 CD LYS A 659 8.256 8.103 4.587 1.00 0.00 C ATOM 724 CE LYS A 659 8.485 9.602 4.419 1.00 0.00 C ATOM 725 NZ LYS A 659 7.227 10.361 4.488 1.00 0.00 N ATOM 0 H LYS A 659 7.924 6.133 3.154 1.00 0.00 H new ATOM 0 HA LYS A 659 10.139 6.096 1.323 1.00 0.00 H new ATOM 0 HB2 LYS A 659 11.228 7.357 3.132 1.00 0.00 H new ATOM 0 HB3 LYS A 659 9.753 8.066 2.506 1.00 0.00 H new ATOM 0 HG2 LYS A 659 9.471 6.362 4.952 1.00 0.00 H new ATOM 0 HG3 LYS A 659 10.323 7.881 5.150 1.00 0.00 H new ATOM 0 HD2 LYS A 659 7.593 7.738 3.803 1.00 0.00 H new ATOM 0 HD3 LYS A 659 7.762 7.906 5.539 1.00 0.00 H new ATOM 0 HE2 LYS A 659 9.164 9.954 5.195 1.00 0.00 H new ATOM 0 HE3 LYS A 659 8.970 9.790 3.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 659 7.426 11.375 4.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 659 6.588 10.043 3.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 659 6.776 10.203 5.412 1.00 0.00 H new ATOM 739 N CYS A 660 11.665 4.329 2.223 1.00 0.00 N ATOM 740 CA CYS A 660 12.470 3.189 2.625 1.00 0.00 C ATOM 741 C CYS A 660 13.943 3.452 2.339 1.00 0.00 C ATOM 742 O CYS A 660 14.277 4.363 1.581 1.00 0.00 O ATOM 743 CB CYS A 660 11.960 1.995 1.807 1.00 0.00 C ATOM 744 SG CYS A 660 12.861 0.447 2.027 1.00 0.00 S ATOM 0 H CYS A 660 11.996 4.789 1.375 1.00 0.00 H new ATOM 0 HA CYS A 660 12.384 2.997 3.694 1.00 0.00 H new ATOM 0 HB2 CYS A 660 10.914 1.824 2.063 1.00 0.00 H new ATOM 0 HB3 CYS A 660 11.990 2.263 0.751 1.00 0.00 H new ATOM 749 N MET A 661 14.846 2.705 2.962 1.00 0.00 N ATOM 750 CA MET A 661 16.276 2.827 2.743 1.00 0.00 C ATOM 751 C MET A 661 16.889 1.473 3.036 1.00 0.00 C ATOM 752 O MET A 661 16.580 0.838 4.050 1.00 0.00 O ATOM 753 CB MET A 661 16.964 3.875 3.622 1.00 0.00 C ATOM 754 CG MET A 661 16.422 5.296 3.449 1.00 0.00 C ATOM 755 SD MET A 661 17.242 6.528 4.474 1.00 0.00 S ATOM 756 CE MET A 661 16.488 6.051 6.051 1.00 0.00 C ATOM 0 H MET A 661 14.598 1.987 3.643 1.00 0.00 H new ATOM 0 HA MET A 661 16.423 3.156 1.714 1.00 0.00 H new ATOM 0 HB2 MET A 661 16.857 3.583 4.667 1.00 0.00 H new ATOM 0 HB3 MET A 661 18.031 3.876 3.399 1.00 0.00 H new ATOM 0 HG2 MET A 661 16.521 5.586 2.403 1.00 0.00 H new ATOM 0 HG3 MET A 661 15.357 5.297 3.681 1.00 0.00 H new ATOM 0 HE1 MET A 661 15.975 6.910 6.484 1.00 0.00 H new ATOM 0 HE2 MET A 661 15.771 5.247 5.883 1.00 0.00 H new ATOM 0 HE3 MET A 661 17.263 5.708 6.736 1.00 0.00 H new ATOM 766 N LEU A 662 17.676 0.999 2.090 1.00 0.00 N ATOM 767 CA LEU A 662 18.414 -0.253 2.159 1.00 0.00 C ATOM 768 C LEU A 662 19.830 0.095 2.630 1.00 0.00 C ATOM 769 O LEU A 662 20.216 1.267 2.564 1.00 0.00 O ATOM 770 CB LEU A 662 18.499 -0.878 0.756 1.00 0.00 C ATOM 771 CG LEU A 662 17.291 -1.695 0.298 1.00 0.00 C ATOM 772 CD1 LEU A 662 17.018 -2.925 1.163 1.00 0.00 C ATOM 773 CD2 LEU A 662 16.024 -0.857 0.228 1.00 0.00 C ATOM 0 H LEU A 662 17.827 1.496 1.212 1.00 0.00 H new ATOM 0 HA LEU A 662 17.926 -0.957 2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 662 18.662 -0.077 0.035 1.00 0.00 H new ATOM 0 HB3 LEU A 662 19.378 -1.521 0.722 1.00 0.00 H new ATOM 0 HG LEU A 662 17.561 -2.037 -0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 662 16.147 -3.455 0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 662 17.884 -3.586 1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 662 16.828 -2.613 2.190 1.00 0.00 H new ATOM 0 HD21 LEU A 662 15.193 -1.481 -0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 662 15.802 -0.449 1.214 1.00 0.00 H new ATOM 0 HD23 LEU A 662 16.167 -0.040 -0.479 1.00 0.00 H new ATOM 785 N PRO A 663 20.614 -0.889 3.092 1.00 0.00 N ATOM 786 CA PRO A 663 21.978 -0.637 3.518 1.00 0.00 C ATOM 787 C PRO A 663 22.807 -0.300 2.272 1.00 0.00 C ATOM 788 O PRO A 663 22.373 -0.501 1.133 1.00 0.00 O ATOM 789 CB PRO A 663 22.435 -1.930 4.205 1.00 0.00 C ATOM 790 CG PRO A 663 21.602 -3.011 3.520 1.00 0.00 C ATOM 791 CD PRO A 663 20.284 -2.299 3.217 1.00 0.00 C ATOM 0 HA PRO A 663 22.085 0.200 4.209 1.00 0.00 H new ATOM 0 HB2 PRO A 663 23.503 -2.100 4.070 1.00 0.00 H new ATOM 0 HB3 PRO A 663 22.250 -1.901 5.279 1.00 0.00 H new ATOM 0 HG2 PRO A 663 22.082 -3.373 2.611 1.00 0.00 H new ATOM 0 HG3 PRO A 663 21.453 -3.875 4.168 1.00 0.00 H new ATOM 0 HD2 PRO A 663 19.837 -2.679 2.298 1.00 0.00 H new ATOM 0 HD3 PRO A 663 19.559 -2.462 4.015 1.00 0.00 H new ATOM 799 N GLU A 664 24.003 0.242 2.461 1.00 0.00 N ATOM 800 CA GLU A 664 24.873 0.584 1.350 1.00 0.00 C ATOM 801 C GLU A 664 25.512 -0.693 0.810 1.00 0.00 C ATOM 802 O GLU A 664 26.049 -1.502 1.572 1.00 0.00 O ATOM 803 CB GLU A 664 25.882 1.641 1.798 1.00 0.00 C ATOM 804 CG GLU A 664 26.968 1.142 2.761 1.00 0.00 C ATOM 805 CD GLU A 664 27.486 2.235 3.698 1.00 0.00 C ATOM 806 OE1 GLU A 664 27.326 3.449 3.406 1.00 0.00 O ATOM 807 OE2 GLU A 664 27.959 1.884 4.800 1.00 0.00 O ATOM 0 H GLU A 664 24.392 0.454 3.380 1.00 0.00 H new ATOM 0 HA GLU A 664 24.313 1.028 0.527 1.00 0.00 H new ATOM 0 HB2 GLU A 664 26.366 2.056 0.914 1.00 0.00 H new ATOM 0 HB3 GLU A 664 25.341 2.457 2.278 1.00 0.00 H new ATOM 0 HG2 GLU A 664 26.568 0.321 3.356 1.00 0.00 H new ATOM 0 HG3 GLU A 664 27.801 0.741 2.184 1.00 0.00 H new ATOM 814 N CYS A 665 25.387 -0.920 -0.496 1.00 0.00 N ATOM 815 CA CYS A 665 25.968 -2.096 -1.129 1.00 0.00 C ATOM 816 C CYS A 665 27.479 -1.872 -1.286 1.00 0.00 C ATOM 817 O CYS A 665 27.884 -0.748 -1.615 1.00 0.00 O ATOM 818 CB CYS A 665 25.307 -2.358 -2.488 1.00 0.00 C ATOM 819 SG CYS A 665 24.998 -0.896 -3.514 1.00 0.00 S ATOM 0 H CYS A 665 24.887 -0.302 -1.135 1.00 0.00 H new ATOM 0 HA CYS A 665 25.795 -2.975 -0.507 1.00 0.00 H new ATOM 0 HB2 CYS A 665 25.938 -3.046 -3.051 1.00 0.00 H new ATOM 0 HB3 CYS A 665 24.357 -2.865 -2.317 1.00 0.00 H new ATOM 824 N PRO A 666 28.318 -2.899 -1.070 1.00 0.00 N ATOM 825 CA PRO A 666 29.764 -2.782 -1.208 1.00 0.00 C ATOM 826 C PRO A 666 30.110 -2.605 -2.680 1.00 0.00 C ATOM 827 O PRO A 666 31.051 -1.854 -2.995 1.00 0.00 O ATOM 828 CB PRO A 666 30.339 -4.077 -0.632 1.00 0.00 C ATOM 829 CG PRO A 666 29.226 -5.085 -0.906 1.00 0.00 C ATOM 830 CD PRO A 666 27.960 -4.258 -0.691 1.00 0.00 C ATOM 0 HA PRO A 666 30.177 -1.921 -0.682 1.00 0.00 H new ATOM 0 HB2 PRO A 666 31.271 -4.359 -1.121 1.00 0.00 H new ATOM 0 HB3 PRO A 666 30.552 -3.988 0.433 1.00 0.00 H new ATOM 0 HG2 PRO A 666 29.282 -5.484 -1.919 1.00 0.00 H new ATOM 0 HG3 PRO A 666 29.274 -5.935 -0.226 1.00 0.00 H new ATOM 0 HD2 PRO A 666 27.138 -4.632 -1.301 1.00 0.00 H new ATOM 0 HD3 PRO A 666 27.633 -4.303 0.348 1.00 0.00 H new