USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=11 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 94:sc= -0.153 USER MOD Single : A 621 SER OG : rot 96:sc= 0.0111 USER MOD Single : A 624 SER OG : rot 180:sc= 0 USER MOD Single : A 627 SER OG : rot -34:sc= 0.76 USER MOD Single : A 629 THR OG1 : rot 180:sc= 0 USER MOD Single : A 632 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0117) USER MOD Single : A 634 MET CE :methyl 180:sc= 0 (180deg=0) 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 -168:sc= -0.047 (180deg=-0.279) USER MOD Single : A 642 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 643 SER OG : rot 45:sc= 0.0675 USER MOD Single : A 651 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 656 GLN : amide:sc= 0.56 K(o=0.56,f=-2.9!) USER MOD Single : A 659 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0222) USER MOD Single : A 661 MET CE :methyl -114:sc= 0 (180deg=-0.194) USER MOD ----------------------------------------------------------------- ATOM 38 N PRO A 614 -16.913 3.821 5.968 1.00 0.00 N ATOM 39 CA PRO A 614 -17.438 4.584 4.858 1.00 0.00 C ATOM 40 C PRO A 614 -17.278 3.858 3.522 1.00 0.00 C ATOM 41 O PRO A 614 -18.109 4.037 2.631 1.00 0.00 O ATOM 42 CB PRO A 614 -16.679 5.896 4.889 1.00 0.00 C ATOM 43 CG PRO A 614 -15.306 5.503 5.428 1.00 0.00 C ATOM 44 CD PRO A 614 -15.627 4.363 6.399 1.00 0.00 C ATOM 0 HA PRO A 614 -18.513 4.736 4.953 1.00 0.00 H new ATOM 0 HB2 PRO A 614 -16.608 6.342 3.897 1.00 0.00 H new ATOM 0 HB3 PRO A 614 -17.168 6.627 5.533 1.00 0.00 H new ATOM 0 HG2 PRO A 614 -14.638 5.177 4.631 1.00 0.00 H new ATOM 0 HG3 PRO A 614 -14.817 6.337 5.932 1.00 0.00 H new ATOM 0 HD2 PRO A 614 -14.852 3.597 6.373 1.00 0.00 H new ATOM 0 HD3 PRO A 614 -15.681 4.727 7.425 1.00 0.00 H new ATOM 52 N CYS A 615 -16.256 3.008 3.393 1.00 0.00 N ATOM 53 CA CYS A 615 -15.950 2.240 2.196 1.00 0.00 C ATOM 54 C CYS A 615 -15.570 0.808 2.557 1.00 0.00 C ATOM 55 O CYS A 615 -14.641 0.589 3.336 1.00 0.00 O ATOM 56 CB CYS A 615 -14.793 2.894 1.455 1.00 0.00 C ATOM 57 SG CYS A 615 -14.532 2.209 -0.200 1.00 0.00 S ATOM 0 H CYS A 615 -15.597 2.833 4.152 1.00 0.00 H new ATOM 0 HA CYS A 615 -16.836 2.219 1.561 1.00 0.00 H new ATOM 0 HB2 CYS A 615 -14.981 3.965 1.373 1.00 0.00 H new ATOM 0 HB3 CYS A 615 -13.881 2.774 2.039 1.00 0.00 H new ATOM 62 N LEU A 616 -16.296 -0.180 2.027 1.00 0.00 N ATOM 63 CA LEU A 616 -16.025 -1.590 2.296 1.00 0.00 C ATOM 64 C LEU A 616 -14.804 -2.031 1.481 1.00 0.00 C ATOM 65 O LEU A 616 -14.924 -2.653 0.426 1.00 0.00 O ATOM 66 CB LEU A 616 -17.268 -2.449 2.067 1.00 0.00 C ATOM 67 CG LEU A 616 -17.264 -3.646 3.036 1.00 0.00 C ATOM 68 CD1 LEU A 616 -18.675 -4.199 3.108 1.00 0.00 C ATOM 69 CD2 LEU A 616 -16.277 -4.745 2.647 1.00 0.00 C ATOM 0 H LEU A 616 -17.086 -0.023 1.401 1.00 0.00 H new ATOM 0 HA LEU A 616 -15.779 -1.730 3.349 1.00 0.00 H new ATOM 0 HB2 LEU A 616 -18.167 -1.851 2.218 1.00 0.00 H new ATOM 0 HB3 LEU A 616 -17.291 -2.804 1.037 1.00 0.00 H new ATOM 0 HG LEU A 616 -16.930 -3.289 4.010 1.00 0.00 H new ATOM 0 HD11 LEU A 616 -18.698 -5.049 3.789 1.00 0.00 H new ATOM 0 HD12 LEU A 616 -19.351 -3.425 3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 616 -18.991 -4.521 2.116 1.00 0.00 H new ATOM 0 HD21 LEU A 616 -16.329 -5.555 3.374 1.00 0.00 H new ATOM 0 HD22 LEU A 616 -16.530 -5.128 1.658 1.00 0.00 H new ATOM 0 HD23 LEU A 616 -15.266 -4.337 2.630 1.00 0.00 H new ATOM 81 N LEU A 617 -13.615 -1.723 1.983 1.00 0.00 N ATOM 82 CA LEU A 617 -12.338 -2.036 1.349 1.00 0.00 C ATOM 83 C LEU A 617 -11.715 -3.289 1.931 1.00 0.00 C ATOM 84 O LEU A 617 -12.069 -3.710 3.039 1.00 0.00 O ATOM 85 CB LEU A 617 -11.368 -0.883 1.619 1.00 0.00 C ATOM 86 CG LEU A 617 -11.806 0.425 0.954 1.00 0.00 C ATOM 87 CD1 LEU A 617 -11.112 1.607 1.605 1.00 0.00 C ATOM 88 CD2 LEU A 617 -11.526 0.428 -0.551 1.00 0.00 C ATOM 0 H LEU A 617 -13.508 -1.233 2.871 1.00 0.00 H new ATOM 0 HA LEU A 617 -12.520 -2.187 0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 617 -11.284 -0.729 2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 617 -10.376 -1.155 1.258 1.00 0.00 H new ATOM 0 HG LEU A 617 -12.884 0.510 1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 617 -11.434 2.529 1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 617 -11.370 1.643 2.663 1.00 0.00 H new ATOM 0 HD13 LEU A 617 -10.033 1.499 1.499 1.00 0.00 H new ATOM 0 HD21 LEU A 617 -11.853 1.375 -0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 617 -10.457 0.302 -0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 617 -12.068 -0.391 -1.024 1.00 0.00 H new ATOM 100 N SER A 618 -10.782 -3.884 1.194 1.00 0.00 N ATOM 101 CA SER A 618 -10.059 -5.066 1.631 1.00 0.00 C ATOM 102 C SER A 618 -8.899 -4.618 2.530 1.00 0.00 C ATOM 103 O SER A 618 -8.470 -3.457 2.447 1.00 0.00 O ATOM 104 CB SER A 618 -9.462 -5.755 0.398 1.00 0.00 C ATOM 105 OG SER A 618 -10.489 -6.112 -0.500 1.00 0.00 O ATOM 0 H SER A 618 -10.507 -3.554 0.269 1.00 0.00 H new ATOM 0 HA SER A 618 -10.726 -5.742 2.166 1.00 0.00 H new ATOM 0 HB2 SER A 618 -8.753 -5.089 -0.094 1.00 0.00 H new ATOM 0 HB3 SER A 618 -8.907 -6.643 0.701 1.00 0.00 H new ATOM 0 HG SER A 618 -10.606 -5.400 -1.163 1.00 0.00 H new ATOM 111 N PRO A 619 -8.374 -5.500 3.398 1.00 0.00 N ATOM 112 CA PRO A 619 -7.233 -5.136 4.221 1.00 0.00 C ATOM 113 C PRO A 619 -6.042 -5.021 3.253 1.00 0.00 C ATOM 114 O PRO A 619 -6.033 -5.657 2.191 1.00 0.00 O ATOM 115 CB PRO A 619 -7.084 -6.274 5.233 1.00 0.00 C ATOM 116 CG PRO A 619 -7.671 -7.484 4.506 1.00 0.00 C ATOM 117 CD PRO A 619 -8.767 -6.883 3.626 1.00 0.00 C ATOM 0 HA PRO A 619 -7.321 -4.196 4.767 1.00 0.00 H new ATOM 0 HB2 PRO A 619 -6.040 -6.436 5.503 1.00 0.00 H new ATOM 0 HB3 PRO A 619 -7.622 -6.062 6.157 1.00 0.00 H new ATOM 0 HG2 PRO A 619 -6.916 -7.998 3.910 1.00 0.00 H new ATOM 0 HG3 PRO A 619 -8.076 -8.214 5.207 1.00 0.00 H new ATOM 0 HD2 PRO A 619 -8.855 -7.425 2.685 1.00 0.00 H new ATOM 0 HD3 PRO A 619 -9.738 -6.938 4.118 1.00 0.00 H new ATOM 125 N TRP A 620 -5.039 -4.213 3.584 1.00 0.00 N ATOM 126 CA TRP A 620 -3.865 -4.023 2.741 1.00 0.00 C ATOM 127 C TRP A 620 -3.150 -5.342 2.437 1.00 0.00 C ATOM 128 O TRP A 620 -3.124 -6.251 3.280 1.00 0.00 O ATOM 129 CB TRP A 620 -2.873 -3.079 3.425 1.00 0.00 C ATOM 130 CG TRP A 620 -3.321 -1.667 3.612 1.00 0.00 C ATOM 131 CD1 TRP A 620 -3.689 -1.067 4.765 1.00 0.00 C ATOM 132 CD2 TRP A 620 -3.401 -0.643 2.590 1.00 0.00 C ATOM 133 NE1 TRP A 620 -4.079 0.233 4.504 1.00 0.00 N ATOM 134 CE2 TRP A 620 -3.920 0.550 3.171 1.00 0.00 C ATOM 135 CE3 TRP A 620 -3.055 -0.615 1.228 1.00 0.00 C ATOM 136 CZ2 TRP A 620 -4.145 1.708 2.414 1.00 0.00 C ATOM 137 CZ3 TRP A 620 -3.246 0.549 0.472 1.00 0.00 C ATOM 138 CH2 TRP A 620 -3.811 1.695 1.050 1.00 0.00 C ATOM 0 H TRP A 620 -5.018 -3.670 4.447 1.00 0.00 H new ATOM 0 HA TRP A 620 -4.217 -3.597 1.802 1.00 0.00 H new ATOM 0 HB2 TRP A 620 -2.628 -3.492 4.403 1.00 0.00 H new ATOM 0 HB3 TRP A 620 -1.952 -3.071 2.842 1.00 0.00 H new ATOM 0 HD1 TRP A 620 -3.680 -1.531 5.740 1.00 0.00 H new ATOM 0 HE1 TRP A 620 -4.439 0.877 5.208 1.00 0.00 H new ATOM 0 HE3 TRP A 620 -2.639 -1.496 0.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 620 -4.566 2.592 2.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 620 -2.955 0.564 -0.568 1.00 0.00 H new ATOM 0 HH2 TRP A 620 -3.990 2.571 0.444 1.00 0.00 H new ATOM 149 N SER A 621 -2.589 -5.466 1.232 1.00 0.00 N ATOM 150 CA SER A 621 -1.838 -6.656 0.856 1.00 0.00 C ATOM 151 C SER A 621 -0.510 -6.622 1.631 1.00 0.00 C ATOM 152 O SER A 621 -0.197 -5.640 2.315 1.00 0.00 O ATOM 153 CB SER A 621 -1.587 -6.647 -0.652 1.00 0.00 C ATOM 154 OG SER A 621 -2.793 -6.783 -1.383 1.00 0.00 O ATOM 0 H SER A 621 -2.643 -4.755 0.503 1.00 0.00 H new ATOM 0 HA SER A 621 -2.389 -7.565 1.097 1.00 0.00 H new ATOM 0 HB2 SER A 621 -1.093 -5.717 -0.934 1.00 0.00 H new ATOM 0 HB3 SER A 621 -0.909 -7.460 -0.913 1.00 0.00 H new ATOM 0 HG SER A 621 -3.118 -5.897 -1.646 1.00 0.00 H new ATOM 160 N GLU A 622 0.252 -7.712 1.618 1.00 0.00 N ATOM 161 CA GLU A 622 1.535 -7.717 2.311 1.00 0.00 C ATOM 162 C GLU A 622 2.477 -6.763 1.570 1.00 0.00 C ATOM 163 O GLU A 622 2.465 -6.678 0.337 1.00 0.00 O ATOM 164 CB GLU A 622 2.102 -9.134 2.429 1.00 0.00 C ATOM 165 CG GLU A 622 2.345 -9.825 1.082 1.00 0.00 C ATOM 166 CD GLU A 622 2.392 -11.350 1.209 1.00 0.00 C ATOM 167 OE1 GLU A 622 1.598 -11.936 1.984 1.00 0.00 O ATOM 168 OE2 GLU A 622 3.190 -11.982 0.484 1.00 0.00 O ATOM 0 H GLU A 622 0.011 -8.584 1.147 1.00 0.00 H new ATOM 0 HA GLU A 622 1.412 -7.369 3.337 1.00 0.00 H new ATOM 0 HB2 GLU A 622 3.042 -9.093 2.979 1.00 0.00 H new ATOM 0 HB3 GLU A 622 1.414 -9.741 3.018 1.00 0.00 H new ATOM 0 HG2 GLU A 622 1.555 -9.545 0.385 1.00 0.00 H new ATOM 0 HG3 GLU A 622 3.284 -9.469 0.658 1.00 0.00 H new ATOM 175 N TRP A 623 3.257 -6.011 2.339 1.00 0.00 N ATOM 176 CA TRP A 623 4.209 -5.057 1.810 1.00 0.00 C ATOM 177 C TRP A 623 5.258 -5.741 0.940 1.00 0.00 C ATOM 178 O TRP A 623 5.689 -6.861 1.227 1.00 0.00 O ATOM 179 CB TRP A 623 4.938 -4.377 2.971 1.00 0.00 C ATOM 180 CG TRP A 623 4.244 -3.228 3.624 1.00 0.00 C ATOM 181 CD1 TRP A 623 3.631 -3.195 4.826 1.00 0.00 C ATOM 182 CD2 TRP A 623 4.147 -1.880 3.107 1.00 0.00 C ATOM 183 NE1 TRP A 623 3.211 -1.908 5.099 1.00 0.00 N ATOM 184 CE2 TRP A 623 3.450 -1.060 4.037 1.00 0.00 C ATOM 185 CE3 TRP A 623 4.579 -1.283 1.917 1.00 0.00 C ATOM 186 CZ2 TRP A 623 3.134 0.278 3.751 1.00 0.00 C ATOM 187 CZ3 TRP A 623 4.352 0.072 1.668 1.00 0.00 C ATOM 188 CH2 TRP A 623 3.580 0.840 2.542 1.00 0.00 C ATOM 0 H TRP A 623 3.241 -6.052 3.358 1.00 0.00 H new ATOM 0 HA TRP A 623 3.657 -4.335 1.208 1.00 0.00 H new ATOM 0 HB2 TRP A 623 5.138 -5.130 3.733 1.00 0.00 H new ATOM 0 HB3 TRP A 623 5.904 -4.027 2.607 1.00 0.00 H new ATOM 0 HD1 TRP A 623 3.490 -4.046 5.476 1.00 0.00 H new ATOM 0 HE1 TRP A 623 2.778 -1.620 5.977 1.00 0.00 H new ATOM 0 HE3 TRP A 623 5.096 -1.880 1.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 623 2.557 0.866 4.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 623 4.779 0.532 0.789 1.00 0.00 H new ATOM 0 HH2 TRP A 623 3.327 1.859 2.291 1.00 0.00 H new ATOM 199 N SER A 624 5.702 -5.036 -0.096 1.00 0.00 N ATOM 200 CA SER A 624 6.737 -5.507 -0.999 1.00 0.00 C ATOM 201 C SER A 624 8.081 -5.298 -0.268 1.00 0.00 C ATOM 202 O SER A 624 8.100 -4.890 0.896 1.00 0.00 O ATOM 203 CB SER A 624 6.600 -4.694 -2.295 1.00 0.00 C ATOM 204 OG SER A 624 6.769 -5.507 -3.441 1.00 0.00 O ATOM 0 H SER A 624 5.346 -4.110 -0.332 1.00 0.00 H new ATOM 0 HA SER A 624 6.664 -6.561 -1.267 1.00 0.00 H new ATOM 0 HB2 SER A 624 5.619 -4.220 -2.326 1.00 0.00 H new ATOM 0 HB3 SER A 624 7.340 -3.894 -2.303 1.00 0.00 H new ATOM 0 HG SER A 624 6.674 -4.959 -4.248 1.00 0.00 H new ATOM 210 N ASP A 625 9.219 -5.571 -0.899 1.00 0.00 N ATOM 211 CA ASP A 625 10.534 -5.380 -0.277 1.00 0.00 C ATOM 212 C ASP A 625 10.847 -3.883 -0.248 1.00 0.00 C ATOM 213 O ASP A 625 11.029 -3.304 0.824 1.00 0.00 O ATOM 214 CB ASP A 625 11.594 -6.169 -1.035 1.00 0.00 C ATOM 215 CG ASP A 625 12.948 -6.095 -0.338 1.00 0.00 C ATOM 216 OD1 ASP A 625 13.638 -5.054 -0.409 1.00 0.00 O ATOM 217 OD2 ASP A 625 13.373 -7.116 0.245 1.00 0.00 O ATOM 0 H ASP A 625 9.261 -5.930 -1.853 1.00 0.00 H new ATOM 0 HA ASP A 625 10.529 -5.755 0.747 1.00 0.00 H new ATOM 0 HB2 ASP A 625 11.283 -7.210 -1.120 1.00 0.00 H new ATOM 0 HB3 ASP A 625 11.684 -5.780 -2.049 1.00 0.00 H new ATOM 222 N CYS A 626 10.823 -3.255 -1.430 1.00 0.00 N ATOM 223 CA CYS A 626 11.037 -1.849 -1.761 1.00 0.00 C ATOM 224 C CYS A 626 11.074 -1.731 -3.296 1.00 0.00 C ATOM 225 O CYS A 626 10.687 -2.661 -4.004 1.00 0.00 O ATOM 226 CB CYS A 626 12.240 -1.185 -1.050 1.00 0.00 C ATOM 227 SG CYS A 626 12.063 0.624 -1.032 1.00 0.00 S ATOM 0 H CYS A 626 10.629 -3.790 -2.277 1.00 0.00 H new ATOM 0 HA CYS A 626 10.204 -1.268 -1.366 1.00 0.00 H new ATOM 0 HB2 CYS A 626 12.315 -1.558 -0.028 1.00 0.00 H new ATOM 0 HB3 CYS A 626 13.165 -1.459 -1.558 1.00 0.00 H new ATOM 232 N SER A 627 11.491 -0.579 -3.825 1.00 0.00 N ATOM 233 CA SER A 627 11.598 -0.287 -5.246 1.00 0.00 C ATOM 234 C SER A 627 13.059 0.029 -5.619 1.00 0.00 C ATOM 235 O SER A 627 13.305 0.667 -6.637 1.00 0.00 O ATOM 236 CB SER A 627 10.588 0.821 -5.588 1.00 0.00 C ATOM 237 OG SER A 627 10.639 1.186 -6.953 1.00 0.00 O ATOM 0 H SER A 627 11.775 0.209 -3.243 1.00 0.00 H new ATOM 0 HA SER A 627 11.338 -1.151 -5.857 1.00 0.00 H new ATOM 0 HB2 SER A 627 9.582 0.482 -5.341 1.00 0.00 H new ATOM 0 HB3 SER A 627 10.789 1.697 -4.971 1.00 0.00 H new ATOM 0 HG SER A 627 11.560 1.110 -7.278 1.00 0.00 H new ATOM 243 N VAL A 628 14.025 -0.346 -4.781 1.00 0.00 N ATOM 244 CA VAL A 628 15.453 -0.154 -4.976 1.00 0.00 C ATOM 245 C VAL A 628 16.125 -1.360 -4.310 1.00 0.00 C ATOM 246 O VAL A 628 15.464 -2.073 -3.548 1.00 0.00 O ATOM 247 CB VAL A 628 15.881 1.212 -4.395 1.00 0.00 C ATOM 248 CG1 VAL A 628 16.111 1.204 -2.876 1.00 0.00 C ATOM 249 CG2 VAL A 628 17.112 1.753 -5.114 1.00 0.00 C ATOM 0 H VAL A 628 13.816 -0.817 -3.901 1.00 0.00 H new ATOM 0 HA VAL A 628 15.749 -0.116 -6.024 1.00 0.00 H new ATOM 0 HB VAL A 628 15.035 1.877 -4.570 1.00 0.00 H new ATOM 0 HG11 VAL A 628 16.409 2.200 -2.548 1.00 0.00 H new ATOM 0 HG12 VAL A 628 15.190 0.915 -2.370 1.00 0.00 H new ATOM 0 HG13 VAL A 628 16.898 0.491 -2.631 1.00 0.00 H new ATOM 0 HG21 VAL A 628 17.391 2.715 -4.684 1.00 0.00 H new ATOM 0 HG22 VAL A 628 17.938 1.051 -4.999 1.00 0.00 H new ATOM 0 HG23 VAL A 628 16.888 1.880 -6.173 1.00 0.00 H new ATOM 259 N THR A 629 17.414 -1.584 -4.557 1.00 0.00 N ATOM 260 CA THR A 629 18.163 -2.703 -3.974 1.00 0.00 C ATOM 261 C THR A 629 19.369 -2.198 -3.166 1.00 0.00 C ATOM 262 O THR A 629 20.021 -2.969 -2.462 1.00 0.00 O ATOM 263 CB THR A 629 18.485 -3.718 -5.082 1.00 0.00 C ATOM 264 OG1 THR A 629 17.340 -3.888 -5.908 1.00 0.00 O ATOM 265 CG2 THR A 629 18.863 -5.097 -4.551 1.00 0.00 C ATOM 0 H THR A 629 17.974 -0.993 -5.171 1.00 0.00 H new ATOM 0 HA THR A 629 17.562 -3.238 -3.238 1.00 0.00 H new ATOM 0 HB THR A 629 19.339 -3.314 -5.626 1.00 0.00 H new ATOM 0 HG1 THR A 629 17.541 -4.533 -6.617 1.00 0.00 H new ATOM 0 HG21 THR A 629 19.077 -5.763 -5.387 1.00 0.00 H new ATOM 0 HG22 THR A 629 19.746 -5.014 -3.918 1.00 0.00 H new ATOM 0 HG23 THR A 629 18.036 -5.502 -3.968 1.00 0.00 H new ATOM 273 N CYS A 630 19.656 -0.895 -3.236 1.00 0.00 N ATOM 274 CA CYS A 630 20.723 -0.239 -2.516 1.00 0.00 C ATOM 275 C CYS A 630 20.386 1.241 -2.403 1.00 0.00 C ATOM 276 O CYS A 630 19.723 1.802 -3.276 1.00 0.00 O ATOM 277 CB CYS A 630 22.084 -0.442 -3.162 1.00 0.00 C ATOM 278 SG CYS A 630 22.265 -0.056 -4.919 1.00 0.00 S ATOM 0 H CYS A 630 19.123 -0.253 -3.823 1.00 0.00 H new ATOM 0 HA CYS A 630 20.798 -0.688 -1.526 1.00 0.00 H new ATOM 0 HB2 CYS A 630 22.806 0.162 -2.613 1.00 0.00 H new ATOM 0 HB3 CYS A 630 22.367 -1.485 -3.020 1.00 0.00 H new ATOM 283 N GLY A 631 20.871 1.857 -1.333 1.00 0.00 N ATOM 284 CA GLY A 631 20.692 3.254 -1.019 1.00 0.00 C ATOM 285 C GLY A 631 19.248 3.667 -0.778 1.00 0.00 C ATOM 286 O GLY A 631 18.337 2.854 -0.595 1.00 0.00 O ATOM 0 H GLY A 631 21.425 1.366 -0.632 1.00 0.00 H new ATOM 0 HA2 GLY A 631 21.277 3.492 -0.131 1.00 0.00 H new ATOM 0 HA3 GLY A 631 21.096 3.852 -1.836 1.00 0.00 H new ATOM 290 N LYS A 632 19.054 4.987 -0.729 1.00 0.00 N ATOM 291 CA LYS A 632 17.764 5.626 -0.505 1.00 0.00 C ATOM 292 C LYS A 632 16.736 5.056 -1.476 1.00 0.00 C ATOM 293 O LYS A 632 17.013 4.943 -2.668 1.00 0.00 O ATOM 294 CB LYS A 632 17.940 7.146 -0.667 1.00 0.00 C ATOM 295 CG LYS A 632 16.639 7.934 -0.450 1.00 0.00 C ATOM 296 CD LYS A 632 15.895 8.206 -1.768 1.00 0.00 C ATOM 297 CE LYS A 632 14.417 8.444 -1.478 1.00 0.00 C ATOM 298 NZ LYS A 632 13.624 8.609 -2.710 1.00 0.00 N ATOM 0 H LYS A 632 19.815 5.656 -0.848 1.00 0.00 H new ATOM 0 HA LYS A 632 17.398 5.429 0.503 1.00 0.00 H new ATOM 0 HB2 LYS A 632 18.691 7.496 0.041 1.00 0.00 H new ATOM 0 HB3 LYS A 632 18.322 7.356 -1.666 1.00 0.00 H new ATOM 0 HG2 LYS A 632 15.988 7.377 0.224 1.00 0.00 H new ATOM 0 HG3 LYS A 632 16.868 8.882 0.038 1.00 0.00 H new ATOM 0 HD2 LYS A 632 16.323 9.075 -2.267 1.00 0.00 H new ATOM 0 HD3 LYS A 632 16.012 7.360 -2.445 1.00 0.00 H new ATOM 0 HE2 LYS A 632 14.022 7.606 -0.904 1.00 0.00 H new ATOM 0 HE3 LYS A 632 14.310 9.334 -0.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 632 12.633 8.802 -2.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 632 14.003 9.404 -3.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 632 13.676 7.738 -3.276 1.00 0.00 H new ATOM 312 N GLY A 633 15.538 4.773 -0.980 1.00 0.00 N ATOM 313 CA GLY A 633 14.433 4.232 -1.740 1.00 0.00 C ATOM 314 C GLY A 633 13.106 4.685 -1.135 1.00 0.00 C ATOM 315 O GLY A 633 13.060 5.588 -0.291 1.00 0.00 O ATOM 0 H GLY A 633 15.307 4.922 0.002 1.00 0.00 H new ATOM 0 HA2 GLY A 633 14.500 4.561 -2.777 1.00 0.00 H new ATOM 0 HA3 GLY A 633 14.485 3.143 -1.747 1.00 0.00 H new ATOM 319 N MET A 634 12.015 4.089 -1.606 1.00 0.00 N ATOM 320 CA MET A 634 10.633 4.318 -1.210 1.00 0.00 C ATOM 321 C MET A 634 9.848 3.061 -1.572 1.00 0.00 C ATOM 322 O MET A 634 9.870 2.633 -2.729 1.00 0.00 O ATOM 323 CB MET A 634 10.053 5.540 -1.944 1.00 0.00 C ATOM 324 CG MET A 634 10.556 6.841 -1.311 1.00 0.00 C ATOM 325 SD MET A 634 9.475 8.280 -1.456 1.00 0.00 S ATOM 326 CE MET A 634 8.412 8.081 -0.001 1.00 0.00 C ATOM 0 H MET A 634 12.082 3.376 -2.333 1.00 0.00 H new ATOM 0 HA MET A 634 10.570 4.521 -0.141 1.00 0.00 H new ATOM 0 HB2 MET A 634 10.338 5.508 -2.996 1.00 0.00 H new ATOM 0 HB3 MET A 634 8.964 5.509 -1.908 1.00 0.00 H new ATOM 0 HG2 MET A 634 10.738 6.657 -0.252 1.00 0.00 H new ATOM 0 HG3 MET A 634 11.517 7.090 -1.761 1.00 0.00 H new ATOM 0 HE1 MET A 634 7.693 8.900 0.039 1.00 0.00 H new ATOM 0 HE2 MET A 634 7.879 7.133 -0.067 1.00 0.00 H new ATOM 0 HE3 MET A 634 9.024 8.091 0.901 1.00 0.00 H new ATOM 336 N ARG A 635 9.218 2.405 -0.596 1.00 0.00 N ATOM 337 CA ARG A 635 8.432 1.202 -0.804 1.00 0.00 C ATOM 338 C ARG A 635 6.961 1.577 -0.920 1.00 0.00 C ATOM 339 O ARG A 635 6.541 2.616 -0.415 1.00 0.00 O ATOM 340 CB ARG A 635 8.681 0.271 0.399 1.00 0.00 C ATOM 341 CG ARG A 635 7.701 -0.896 0.393 1.00 0.00 C ATOM 342 CD ARG A 635 7.926 -2.021 1.376 1.00 0.00 C ATOM 343 NE ARG A 635 7.986 -1.633 2.789 1.00 0.00 N ATOM 344 CZ ARG A 635 8.225 -2.520 3.767 1.00 0.00 C ATOM 345 NH1 ARG A 635 8.433 -3.805 3.483 1.00 0.00 N ATOM 346 NH2 ARG A 635 8.256 -2.138 5.035 1.00 0.00 N ATOM 0 H ARG A 635 9.245 2.706 0.378 1.00 0.00 H new ATOM 0 HA ARG A 635 8.718 0.691 -1.724 1.00 0.00 H new ATOM 0 HB2 ARG A 635 9.703 -0.107 0.367 1.00 0.00 H new ATOM 0 HB3 ARG A 635 8.578 0.833 1.327 1.00 0.00 H new ATOM 0 HG2 ARG A 635 6.703 -0.494 0.569 1.00 0.00 H new ATOM 0 HG3 ARG A 635 7.699 -1.325 -0.609 1.00 0.00 H new ATOM 0 HD2 ARG A 635 7.126 -2.751 1.253 1.00 0.00 H new ATOM 0 HD3 ARG A 635 8.858 -2.523 1.117 1.00 0.00 H new ATOM 0 HE ARG A 635 7.841 -0.654 3.037 1.00 0.00 H new ATOM 0 HH11 ARG A 635 8.411 -4.123 2.514 1.00 0.00 H new ATOM 0 HH12 ARG A 635 8.614 -4.471 4.234 1.00 0.00 H new ATOM 0 HH21 ARG A 635 8.097 -1.160 5.277 1.00 0.00 H new ATOM 0 HH22 ARG A 635 8.439 -2.822 5.769 1.00 0.00 H new ATOM 360 N THR A 636 6.178 0.722 -1.562 1.00 0.00 N ATOM 361 CA THR A 636 4.752 0.880 -1.756 1.00 0.00 C ATOM 362 C THR A 636 4.084 -0.505 -1.666 1.00 0.00 C ATOM 363 O THR A 636 4.776 -1.526 -1.555 1.00 0.00 O ATOM 364 CB THR A 636 4.485 1.589 -3.087 1.00 0.00 C ATOM 365 OG1 THR A 636 5.334 1.091 -4.113 1.00 0.00 O ATOM 366 CG2 THR A 636 4.737 3.092 -3.014 1.00 0.00 C ATOM 0 H THR A 636 6.539 -0.136 -1.978 1.00 0.00 H new ATOM 0 HA THR A 636 4.318 1.508 -0.977 1.00 0.00 H new ATOM 0 HB THR A 636 3.435 1.396 -3.306 1.00 0.00 H new ATOM 0 HG1 THR A 636 5.142 1.559 -4.952 1.00 0.00 H new ATOM 0 HG21 THR A 636 4.532 3.543 -3.985 1.00 0.00 H new ATOM 0 HG22 THR A 636 4.083 3.535 -2.263 1.00 0.00 H new ATOM 0 HG23 THR A 636 5.777 3.274 -2.742 1.00 0.00 H new ATOM 374 N ARG A 637 2.753 -0.525 -1.585 1.00 0.00 N ATOM 375 CA ARG A 637 1.875 -1.696 -1.537 1.00 0.00 C ATOM 376 C ARG A 637 0.487 -1.202 -1.921 1.00 0.00 C ATOM 377 O ARG A 637 0.234 0.007 -1.855 1.00 0.00 O ATOM 378 CB ARG A 637 1.852 -2.447 -0.190 1.00 0.00 C ATOM 379 CG ARG A 637 1.205 -1.721 1.008 1.00 0.00 C ATOM 380 CD ARG A 637 0.787 -2.720 2.092 1.00 0.00 C ATOM 381 NE ARG A 637 0.437 -2.063 3.363 1.00 0.00 N ATOM 382 CZ ARG A 637 0.214 -2.701 4.522 1.00 0.00 C ATOM 383 NH1 ARG A 637 0.195 -4.028 4.582 1.00 0.00 N ATOM 384 NH2 ARG A 637 -0.012 -2.009 5.631 1.00 0.00 N ATOM 0 H ARG A 637 2.219 0.344 -1.548 1.00 0.00 H new ATOM 0 HA ARG A 637 2.260 -2.445 -2.229 1.00 0.00 H new ATOM 0 HB2 ARG A 637 1.327 -3.391 -0.338 1.00 0.00 H new ATOM 0 HB3 ARG A 637 2.880 -2.693 0.078 1.00 0.00 H new ATOM 0 HG2 ARG A 637 1.908 -1.000 1.424 1.00 0.00 H new ATOM 0 HG3 ARG A 637 0.334 -1.159 0.671 1.00 0.00 H new ATOM 0 HD2 ARG A 637 -0.067 -3.298 1.739 1.00 0.00 H new ATOM 0 HD3 ARG A 637 1.600 -3.425 2.264 1.00 0.00 H new ATOM 0 HE ARG A 637 0.358 -1.046 3.362 1.00 0.00 H new ATOM 0 HH11 ARG A 637 0.352 -4.579 3.738 1.00 0.00 H new ATOM 0 HH12 ARG A 637 0.024 -4.496 5.472 1.00 0.00 H new ATOM 0 HH21 ARG A 637 -0.017 -0.989 5.604 1.00 0.00 H new ATOM 0 HH22 ARG A 637 -0.181 -2.497 6.511 1.00 0.00 H new ATOM 398 N GLN A 638 -0.438 -2.104 -2.235 1.00 0.00 N ATOM 399 CA GLN A 638 -1.783 -1.708 -2.616 1.00 0.00 C ATOM 400 C GLN A 638 -2.823 -2.718 -2.138 1.00 0.00 C ATOM 401 O GLN A 638 -2.517 -3.646 -1.380 1.00 0.00 O ATOM 402 CB GLN A 638 -1.820 -1.442 -4.135 1.00 0.00 C ATOM 403 CG GLN A 638 -1.735 -2.688 -5.030 1.00 0.00 C ATOM 404 CD GLN A 638 -1.239 -2.342 -6.431 1.00 0.00 C ATOM 405 OE1 GLN A 638 -0.280 -2.940 -6.923 1.00 0.00 O ATOM 406 NE2 GLN A 638 -1.848 -1.385 -7.109 1.00 0.00 N ATOM 0 H GLN A 638 -0.278 -3.111 -2.232 1.00 0.00 H new ATOM 0 HA GLN A 638 -2.052 -0.778 -2.116 1.00 0.00 H new ATOM 0 HB2 GLN A 638 -2.742 -0.910 -4.370 1.00 0.00 H new ATOM 0 HB3 GLN A 638 -0.995 -0.777 -4.389 1.00 0.00 H new ATOM 0 HG2 GLN A 638 -1.064 -3.417 -4.576 1.00 0.00 H new ATOM 0 HG3 GLN A 638 -2.717 -3.156 -5.097 1.00 0.00 H new ATOM 0 HE21 GLN A 638 -2.641 -0.894 -6.697 1.00 0.00 H new ATOM 0 HE22 GLN A 638 -1.525 -1.138 -8.044 1.00 0.00 H new ATOM 415 N ARG A 639 -4.070 -2.491 -2.538 1.00 0.00 N ATOM 416 CA ARG A 639 -5.248 -3.296 -2.253 1.00 0.00 C ATOM 417 C ARG A 639 -6.349 -2.885 -3.228 1.00 0.00 C ATOM 418 O ARG A 639 -6.151 -2.000 -4.052 1.00 0.00 O ATOM 419 CB ARG A 639 -5.705 -3.077 -0.805 1.00 0.00 C ATOM 420 CG ARG A 639 -6.032 -1.603 -0.530 1.00 0.00 C ATOM 421 CD ARG A 639 -6.685 -1.462 0.832 1.00 0.00 C ATOM 422 NE ARG A 639 -6.859 -0.053 1.186 1.00 0.00 N ATOM 423 CZ ARG A 639 -7.533 0.387 2.245 1.00 0.00 C ATOM 424 NH1 ARG A 639 -8.175 -0.470 3.039 1.00 0.00 N ATOM 425 NH2 ARG A 639 -7.555 1.693 2.473 1.00 0.00 N ATOM 0 H ARG A 639 -4.298 -1.679 -3.112 1.00 0.00 H new ATOM 0 HA ARG A 639 -5.018 -4.355 -2.373 1.00 0.00 H new ATOM 0 HB2 ARG A 639 -6.585 -3.688 -0.605 1.00 0.00 H new ATOM 0 HB3 ARG A 639 -4.923 -3.410 -0.122 1.00 0.00 H new ATOM 0 HG2 ARG A 639 -5.121 -1.006 -0.569 1.00 0.00 H new ATOM 0 HG3 ARG A 639 -6.698 -1.219 -1.303 1.00 0.00 H new ATOM 0 HD2 ARG A 639 -7.653 -1.962 0.829 1.00 0.00 H new ATOM 0 HD3 ARG A 639 -6.073 -1.957 1.586 1.00 0.00 H new ATOM 0 HE ARG A 639 -6.432 0.643 0.575 1.00 0.00 H new ATOM 0 HH11 ARG A 639 -8.151 -1.469 2.836 1.00 0.00 H new ATOM 0 HH12 ARG A 639 -8.690 -0.126 3.850 1.00 0.00 H new ATOM 0 HH21 ARG A 639 -7.064 2.329 1.845 1.00 0.00 H new ATOM 0 HH22 ARG A 639 -8.063 2.062 3.277 1.00 0.00 H new ATOM 439 N MET A 640 -7.526 -3.480 -3.084 1.00 0.00 N ATOM 440 CA MET A 640 -8.711 -3.222 -3.885 1.00 0.00 C ATOM 441 C MET A 640 -9.918 -3.166 -2.954 1.00 0.00 C ATOM 442 O MET A 640 -9.820 -3.426 -1.749 1.00 0.00 O ATOM 443 CB MET A 640 -8.889 -4.351 -4.910 1.00 0.00 C ATOM 444 CG MET A 640 -7.826 -4.353 -6.010 1.00 0.00 C ATOM 445 SD MET A 640 -7.730 -2.858 -7.028 1.00 0.00 S ATOM 446 CE MET A 640 -9.406 -2.807 -7.700 1.00 0.00 C ATOM 0 H MET A 640 -7.686 -4.190 -2.370 1.00 0.00 H new ATOM 0 HA MET A 640 -8.612 -2.276 -4.418 1.00 0.00 H new ATOM 0 HB2 MET A 640 -8.864 -5.309 -4.391 1.00 0.00 H new ATOM 0 HB3 MET A 640 -9.874 -4.262 -5.368 1.00 0.00 H new ATOM 0 HG2 MET A 640 -6.853 -4.515 -5.546 1.00 0.00 H new ATOM 0 HG3 MET A 640 -8.013 -5.203 -6.666 1.00 0.00 H new ATOM 0 HE1 MET A 640 -9.452 -2.076 -8.507 1.00 0.00 H new ATOM 0 HE2 MET A 640 -9.673 -3.791 -8.086 1.00 0.00 H new ATOM 0 HE3 MET A 640 -10.105 -2.524 -6.913 1.00 0.00 H new ATOM 456 N LEU A 641 -11.067 -2.796 -3.517 1.00 0.00 N ATOM 457 CA LEU A 641 -12.320 -2.728 -2.782 1.00 0.00 C ATOM 458 C LEU A 641 -12.851 -4.149 -2.532 1.00 0.00 C ATOM 459 O LEU A 641 -12.468 -5.109 -3.214 1.00 0.00 O ATOM 460 CB LEU A 641 -13.319 -1.807 -3.509 1.00 0.00 C ATOM 461 CG LEU A 641 -14.134 -2.436 -4.658 1.00 0.00 C ATOM 462 CD1 LEU A 641 -15.016 -1.355 -5.294 1.00 0.00 C ATOM 463 CD2 LEU A 641 -13.261 -3.030 -5.772 1.00 0.00 C ATOM 0 H LEU A 641 -11.151 -2.535 -4.499 1.00 0.00 H new ATOM 0 HA LEU A 641 -12.161 -2.279 -1.802 1.00 0.00 H new ATOM 0 HB2 LEU A 641 -14.019 -1.415 -2.771 1.00 0.00 H new ATOM 0 HB3 LEU A 641 -12.768 -0.956 -3.909 1.00 0.00 H new ATOM 0 HG LEU A 641 -14.716 -3.245 -4.217 1.00 0.00 H new ATOM 0 HD11 LEU A 641 -15.596 -1.791 -6.108 1.00 0.00 H new ATOM 0 HD12 LEU A 641 -15.693 -0.949 -4.542 1.00 0.00 H new ATOM 0 HD13 LEU A 641 -14.387 -0.555 -5.685 1.00 0.00 H new ATOM 0 HD21 LEU A 641 -13.899 -3.455 -6.547 1.00 0.00 H new ATOM 0 HD22 LEU A 641 -12.639 -2.246 -6.204 1.00 0.00 H new ATOM 0 HD23 LEU A 641 -12.624 -3.811 -5.358 1.00 0.00 H new ATOM 475 N LYS A 642 -13.783 -4.285 -1.588 1.00 0.00 N ATOM 476 CA LYS A 642 -14.393 -5.561 -1.202 1.00 0.00 C ATOM 477 C LYS A 642 -15.924 -5.495 -1.200 1.00 0.00 C ATOM 478 O LYS A 642 -16.581 -6.500 -0.929 1.00 0.00 O ATOM 479 CB LYS A 642 -13.828 -5.932 0.184 1.00 0.00 C ATOM 480 CG LYS A 642 -13.916 -7.412 0.576 1.00 0.00 C ATOM 481 CD LYS A 642 -12.915 -8.265 -0.206 1.00 0.00 C ATOM 482 CE LYS A 642 -13.163 -9.751 0.017 1.00 0.00 C ATOM 483 NZ LYS A 642 -12.114 -10.549 -0.643 1.00 0.00 N ATOM 0 H LYS A 642 -14.144 -3.493 -1.057 1.00 0.00 H new ATOM 0 HA LYS A 642 -14.145 -6.332 -1.932 1.00 0.00 H new ATOM 0 HB2 LYS A 642 -12.781 -5.630 0.220 1.00 0.00 H new ATOM 0 HB3 LYS A 642 -14.355 -5.346 0.937 1.00 0.00 H new ATOM 0 HG2 LYS A 642 -13.727 -7.517 1.644 1.00 0.00 H new ATOM 0 HG3 LYS A 642 -14.927 -7.777 0.393 1.00 0.00 H new ATOM 0 HD2 LYS A 642 -12.991 -8.037 -1.269 1.00 0.00 H new ATOM 0 HD3 LYS A 642 -11.900 -8.013 0.102 1.00 0.00 H new ATOM 0 HE2 LYS A 642 -13.177 -9.968 1.085 1.00 0.00 H new ATOM 0 HE3 LYS A 642 -14.141 -10.027 -0.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 642 -12.295 -11.561 -0.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 642 -12.120 -10.353 -1.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 642 -11.186 -10.297 -0.248 1.00 0.00 H new ATOM 497 N SER A 643 -16.505 -4.330 -1.470 1.00 0.00 N ATOM 498 CA SER A 643 -17.934 -4.079 -1.514 1.00 0.00 C ATOM 499 C SER A 643 -18.633 -5.029 -2.480 1.00 0.00 C ATOM 500 O SER A 643 -18.285 -5.078 -3.658 1.00 0.00 O ATOM 501 CB SER A 643 -18.145 -2.615 -1.916 1.00 0.00 C ATOM 502 OG SER A 643 -17.154 -2.183 -2.834 1.00 0.00 O ATOM 0 H SER A 643 -15.958 -3.493 -1.674 1.00 0.00 H new ATOM 0 HA SER A 643 -18.374 -4.259 -0.533 1.00 0.00 H new ATOM 0 HB2 SER A 643 -19.133 -2.497 -2.362 1.00 0.00 H new ATOM 0 HB3 SER A 643 -18.119 -1.985 -1.027 1.00 0.00 H new ATOM 0 HG SER A 643 -17.027 -2.867 -3.524 1.00 0.00 H new ATOM 508 N LEU A 644 -19.624 -5.776 -1.991 1.00 0.00 N ATOM 509 CA LEU A 644 -20.383 -6.710 -2.812 1.00 0.00 C ATOM 510 C LEU A 644 -21.510 -6.000 -3.568 1.00 0.00 C ATOM 511 O LEU A 644 -21.804 -6.384 -4.696 1.00 0.00 O ATOM 512 CB LEU A 644 -20.886 -7.904 -1.975 1.00 0.00 C ATOM 513 CG LEU A 644 -22.073 -7.676 -1.012 1.00 0.00 C ATOM 514 CD1 LEU A 644 -22.399 -9.002 -0.320 1.00 0.00 C ATOM 515 CD2 LEU A 644 -21.806 -6.631 0.084 1.00 0.00 C ATOM 0 H LEU A 644 -19.920 -5.748 -1.015 1.00 0.00 H new ATOM 0 HA LEU A 644 -19.714 -7.119 -3.569 1.00 0.00 H new ATOM 0 HB2 LEU A 644 -21.166 -8.699 -2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 644 -20.047 -8.274 -1.386 1.00 0.00 H new ATOM 0 HG LEU A 644 -22.894 -7.300 -1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 644 -23.235 -8.859 0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 644 -22.666 -9.747 -1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 644 -21.528 -9.345 0.238 1.00 0.00 H new ATOM 0 HD21 LEU A 644 -22.689 -6.532 0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 644 -20.959 -6.949 0.692 1.00 0.00 H new ATOM 0 HD23 LEU A 644 -21.580 -5.669 -0.377 1.00 0.00 H new ATOM 527 N ALA A 645 -22.119 -4.972 -2.961 1.00 0.00 N ATOM 528 CA ALA A 645 -23.207 -4.200 -3.542 1.00 0.00 C ATOM 529 C ALA A 645 -22.651 -3.201 -4.560 1.00 0.00 C ATOM 530 O ALA A 645 -22.456 -3.574 -5.711 1.00 0.00 O ATOM 531 CB ALA A 645 -24.042 -3.547 -2.432 1.00 0.00 C ATOM 0 H ALA A 645 -21.856 -4.653 -2.029 1.00 0.00 H new ATOM 0 HA ALA A 645 -23.885 -4.855 -4.089 1.00 0.00 H new ATOM 0 HB1 ALA A 645 -24.853 -2.972 -2.878 1.00 0.00 H new ATOM 0 HB2 ALA A 645 -24.458 -4.321 -1.786 1.00 0.00 H new ATOM 0 HB3 ALA A 645 -23.409 -2.884 -1.842 1.00 0.00 H new ATOM 537 N GLU A 646 -22.317 -1.968 -4.168 1.00 0.00 N ATOM 538 CA GLU A 646 -21.802 -0.947 -5.065 1.00 0.00 C ATOM 539 C GLU A 646 -21.049 0.117 -4.263 1.00 0.00 C ATOM 540 O GLU A 646 -21.572 0.581 -3.249 1.00 0.00 O ATOM 541 CB GLU A 646 -23.028 -0.318 -5.738 1.00 0.00 C ATOM 542 CG GLU A 646 -22.671 0.925 -6.546 1.00 0.00 C ATOM 543 CD GLU A 646 -23.871 1.813 -6.847 1.00 0.00 C ATOM 544 OE1 GLU A 646 -24.573 2.195 -5.885 1.00 0.00 O ATOM 545 OE2 GLU A 646 -24.043 2.217 -8.023 1.00 0.00 O ATOM 0 H GLU A 646 -22.401 -1.653 -3.201 1.00 0.00 H new ATOM 0 HA GLU A 646 -21.112 -1.367 -5.797 1.00 0.00 H new ATOM 0 HB2 GLU A 646 -23.497 -1.052 -6.393 1.00 0.00 H new ATOM 0 HB3 GLU A 646 -23.763 -0.055 -4.977 1.00 0.00 H new ATOM 0 HG2 GLU A 646 -21.927 1.504 -5.999 1.00 0.00 H new ATOM 0 HG3 GLU A 646 -22.209 0.619 -7.485 1.00 0.00 H new ATOM 552 N LEU A 647 -19.853 0.501 -4.716 1.00 0.00 N ATOM 553 CA LEU A 647 -18.957 1.516 -4.157 1.00 0.00 C ATOM 554 C LEU A 647 -17.778 1.657 -5.129 1.00 0.00 C ATOM 555 O LEU A 647 -17.551 0.753 -5.938 1.00 0.00 O ATOM 556 CB LEU A 647 -18.408 1.084 -2.781 1.00 0.00 C ATOM 557 CG LEU A 647 -19.083 1.692 -1.538 1.00 0.00 C ATOM 558 CD1 LEU A 647 -18.380 1.109 -0.310 1.00 0.00 C ATOM 559 CD2 LEU A 647 -19.020 3.224 -1.512 1.00 0.00 C ATOM 0 H LEU A 647 -19.454 0.075 -5.552 1.00 0.00 H new ATOM 0 HA LEU A 647 -19.501 2.451 -4.026 1.00 0.00 H new ATOM 0 HB2 LEU A 647 -18.484 -0.001 -2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 647 -17.347 1.332 -2.746 1.00 0.00 H new ATOM 0 HG LEU A 647 -20.143 1.440 -1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 647 -18.831 1.517 0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 647 -18.486 0.024 -0.311 1.00 0.00 H new ATOM 0 HD13 LEU A 647 -17.322 1.371 -0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 647 -19.512 3.593 -0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 647 -17.978 3.545 -1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 647 -19.525 3.624 -2.392 1.00 0.00 H new ATOM 571 N GLY A 648 -17.001 2.740 -5.026 1.00 0.00 N ATOM 572 CA GLY A 648 -15.838 2.970 -5.878 1.00 0.00 C ATOM 573 C GLY A 648 -15.238 4.361 -5.689 1.00 0.00 C ATOM 574 O GLY A 648 -14.018 4.518 -5.615 1.00 0.00 O ATOM 0 H GLY A 648 -17.165 3.482 -4.346 1.00 0.00 H new ATOM 0 HA2 GLY A 648 -15.079 2.218 -5.661 1.00 0.00 H new ATOM 0 HA3 GLY A 648 -16.125 2.841 -6.921 1.00 0.00 H new ATOM 578 N ASP A 649 -16.072 5.393 -5.592 1.00 0.00 N ATOM 579 CA ASP A 649 -15.662 6.790 -5.414 1.00 0.00 C ATOM 580 C ASP A 649 -15.307 7.118 -3.953 1.00 0.00 C ATOM 581 O ASP A 649 -15.432 8.256 -3.491 1.00 0.00 O ATOM 582 CB ASP A 649 -16.730 7.730 -5.996 1.00 0.00 C ATOM 583 CG ASP A 649 -16.247 9.181 -6.069 1.00 0.00 C ATOM 584 OD1 ASP A 649 -15.041 9.418 -6.318 1.00 0.00 O ATOM 585 OD2 ASP A 649 -17.065 10.101 -5.844 1.00 0.00 O ATOM 0 H ASP A 649 -17.085 5.280 -5.636 1.00 0.00 H new ATOM 0 HA ASP A 649 -14.739 6.949 -5.972 1.00 0.00 H new ATOM 0 HB2 ASP A 649 -17.005 7.390 -6.994 1.00 0.00 H new ATOM 0 HB3 ASP A 649 -17.630 7.679 -5.383 1.00 0.00 H new ATOM 590 N CYS A 650 -14.901 6.111 -3.179 1.00 0.00 N ATOM 591 CA CYS A 650 -14.526 6.266 -1.783 1.00 0.00 C ATOM 592 C CYS A 650 -13.370 7.247 -1.637 1.00 0.00 C ATOM 593 O CYS A 650 -12.457 7.250 -2.461 1.00 0.00 O ATOM 594 CB CYS A 650 -14.099 4.920 -1.215 1.00 0.00 C ATOM 595 SG CYS A 650 -15.338 3.623 -1.380 1.00 0.00 S ATOM 0 H CYS A 650 -14.824 5.151 -3.515 1.00 0.00 H new ATOM 0 HA CYS A 650 -15.390 6.649 -1.240 1.00 0.00 H new ATOM 0 HB2 CYS A 650 -13.185 4.600 -1.716 1.00 0.00 H new ATOM 0 HB3 CYS A 650 -13.857 5.044 -0.159 1.00 0.00 H new ATOM 600 N ASN A 651 -13.378 7.995 -0.534 1.00 0.00 N ATOM 601 CA ASN A 651 -12.374 9.004 -0.201 1.00 0.00 C ATOM 602 C ASN A 651 -11.069 8.400 0.331 1.00 0.00 C ATOM 603 O ASN A 651 -10.167 9.135 0.736 1.00 0.00 O ATOM 604 CB ASN A 651 -12.936 9.957 0.871 1.00 0.00 C ATOM 605 CG ASN A 651 -14.292 10.530 0.500 1.00 0.00 C ATOM 606 OD1 ASN A 651 -14.434 11.232 -0.492 1.00 0.00 O ATOM 607 ND2 ASN A 651 -15.324 10.192 1.254 1.00 0.00 N ATOM 0 H ASN A 651 -14.107 7.912 0.175 1.00 0.00 H new ATOM 0 HA ASN A 651 -12.146 9.533 -1.127 1.00 0.00 H new ATOM 0 HB2 ASN A 651 -13.020 9.422 1.817 1.00 0.00 H new ATOM 0 HB3 ASN A 651 -12.232 10.775 1.028 1.00 0.00 H new ATOM 0 HD21 ASN A 651 -16.260 10.517 1.013 1.00 0.00 H new ATOM 0 HD22 ASN A 651 -15.184 9.606 2.077 1.00 0.00 H new ATOM 614 N GLU A 652 -11.000 7.080 0.481 1.00 0.00 N ATOM 615 CA GLU A 652 -9.848 6.344 0.980 1.00 0.00 C ATOM 616 C GLU A 652 -8.868 6.052 -0.171 1.00 0.00 C ATOM 617 O GLU A 652 -9.143 6.411 -1.318 1.00 0.00 O ATOM 618 CB GLU A 652 -10.393 5.048 1.601 1.00 0.00 C ATOM 619 CG GLU A 652 -9.546 4.503 2.753 1.00 0.00 C ATOM 620 CD GLU A 652 -9.670 5.312 4.044 1.00 0.00 C ATOM 621 OE1 GLU A 652 -10.765 5.342 4.652 1.00 0.00 O ATOM 622 OE2 GLU A 652 -8.637 5.858 4.503 1.00 0.00 O ATOM 0 H GLU A 652 -11.782 6.469 0.247 1.00 0.00 H new ATOM 0 HA GLU A 652 -9.295 6.916 1.725 1.00 0.00 H new ATOM 0 HB2 GLU A 652 -11.405 5.229 1.962 1.00 0.00 H new ATOM 0 HB3 GLU A 652 -10.463 4.287 0.824 1.00 0.00 H new ATOM 0 HG2 GLU A 652 -9.839 3.472 2.951 1.00 0.00 H new ATOM 0 HG3 GLU A 652 -8.500 4.484 2.446 1.00 0.00 H new ATOM 629 N ASP A 653 -7.736 5.403 0.126 1.00 0.00 N ATOM 630 CA ASP A 653 -6.724 5.045 -0.866 1.00 0.00 C ATOM 631 C ASP A 653 -6.648 3.532 -1.024 1.00 0.00 C ATOM 632 O ASP A 653 -6.907 2.764 -0.084 1.00 0.00 O ATOM 633 CB ASP A 653 -5.290 5.432 -0.450 1.00 0.00 C ATOM 634 CG ASP A 653 -5.040 6.876 -0.056 1.00 0.00 C ATOM 635 OD1 ASP A 653 -5.183 7.783 -0.902 1.00 0.00 O ATOM 636 OD2 ASP A 653 -4.580 7.084 1.096 1.00 0.00 O ATOM 0 H ASP A 653 -7.497 5.110 1.073 1.00 0.00 H new ATOM 0 HA ASP A 653 -7.030 5.576 -1.767 1.00 0.00 H new ATOM 0 HB2 ASP A 653 -5.001 4.800 0.389 1.00 0.00 H new ATOM 0 HB3 ASP A 653 -4.623 5.189 -1.277 1.00 0.00 H new ATOM 641 N LEU A 654 -6.215 3.120 -2.210 1.00 0.00 N ATOM 642 CA LEU A 654 -5.982 1.752 -2.632 1.00 0.00 C ATOM 643 C LEU A 654 -4.464 1.536 -2.689 1.00 0.00 C ATOM 644 O LEU A 654 -4.041 0.386 -2.686 1.00 0.00 O ATOM 645 CB LEU A 654 -6.643 1.443 -3.988 1.00 0.00 C ATOM 646 CG LEU A 654 -8.184 1.360 -3.989 1.00 0.00 C ATOM 647 CD1 LEU A 654 -8.676 0.882 -5.359 1.00 0.00 C ATOM 648 CD2 LEU A 654 -8.733 0.420 -2.910 1.00 0.00 C ATOM 0 H LEU A 654 -6.003 3.786 -2.953 1.00 0.00 H new ATOM 0 HA LEU A 654 -6.437 1.066 -1.918 1.00 0.00 H new ATOM 0 HB2 LEU A 654 -6.340 2.211 -4.700 1.00 0.00 H new ATOM 0 HB3 LEU A 654 -6.248 0.495 -4.354 1.00 0.00 H new ATOM 0 HG LEU A 654 -8.551 2.363 -3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 654 -9.764 0.825 -5.355 1.00 0.00 H new ATOM 0 HD12 LEU A 654 -8.352 1.584 -6.127 1.00 0.00 H new ATOM 0 HD13 LEU A 654 -8.262 -0.104 -5.571 1.00 0.00 H new ATOM 0 HD21 LEU A 654 -9.822 0.404 -2.961 1.00 0.00 H new ATOM 0 HD22 LEU A 654 -8.347 -0.586 -3.073 1.00 0.00 H new ATOM 0 HD23 LEU A 654 -8.421 0.773 -1.927 1.00 0.00 H new ATOM 660 N GLU A 655 -3.645 2.599 -2.684 1.00 0.00 N ATOM 661 CA GLU A 655 -2.182 2.594 -2.710 1.00 0.00 C ATOM 662 C GLU A 655 -1.664 3.139 -1.369 1.00 0.00 C ATOM 663 O GLU A 655 -2.281 4.017 -0.756 1.00 0.00 O ATOM 664 CB GLU A 655 -1.668 3.455 -3.889 1.00 0.00 C ATOM 665 CG GLU A 655 -0.163 3.787 -3.788 1.00 0.00 C ATOM 666 CD GLU A 655 0.437 4.436 -5.037 1.00 0.00 C ATOM 667 OE1 GLU A 655 0.525 3.769 -6.090 1.00 0.00 O ATOM 668 OE2 GLU A 655 1.008 5.550 -4.938 1.00 0.00 O ATOM 0 H GLU A 655 -4.018 3.548 -2.660 1.00 0.00 H new ATOM 0 HA GLU A 655 -1.814 1.578 -2.853 1.00 0.00 H new ATOM 0 HB2 GLU A 655 -1.855 2.928 -4.824 1.00 0.00 H new ATOM 0 HB3 GLU A 655 -2.237 4.384 -3.927 1.00 0.00 H new ATOM 0 HG2 GLU A 655 -0.009 4.454 -2.940 1.00 0.00 H new ATOM 0 HG3 GLU A 655 0.384 2.868 -3.575 1.00 0.00 H new ATOM 675 N GLN A 656 -0.526 2.616 -0.909 1.00 0.00 N ATOM 676 CA GLN A 656 0.152 3.007 0.320 1.00 0.00 C ATOM 677 C GLN A 656 1.643 3.101 0.021 1.00 0.00 C ATOM 678 O GLN A 656 2.147 2.434 -0.887 1.00 0.00 O ATOM 679 CB GLN A 656 -0.131 2.015 1.461 1.00 0.00 C ATOM 680 CG GLN A 656 -0.748 2.710 2.681 1.00 0.00 C ATOM 681 CD GLN A 656 0.294 3.524 3.451 1.00 0.00 C ATOM 682 OE1 GLN A 656 0.629 4.636 3.052 1.00 0.00 O ATOM 683 NE2 GLN A 656 0.820 3.025 4.555 1.00 0.00 N ATOM 0 H GLN A 656 -0.033 1.876 -1.408 1.00 0.00 H new ATOM 0 HA GLN A 656 -0.222 3.973 0.658 1.00 0.00 H new ATOM 0 HB2 GLN A 656 -0.806 1.236 1.106 1.00 0.00 H new ATOM 0 HB3 GLN A 656 0.797 1.523 1.754 1.00 0.00 H new ATOM 0 HG2 GLN A 656 -1.556 3.366 2.357 1.00 0.00 H new ATOM 0 HG3 GLN A 656 -1.189 1.963 3.342 1.00 0.00 H new ATOM 0 HE21 GLN A 656 0.538 2.101 4.882 1.00 0.00 H new ATOM 0 HE22 GLN A 656 1.508 3.564 5.081 1.00 0.00 H new ATOM 692 N ALA A 657 2.356 3.891 0.821 1.00 0.00 N ATOM 693 CA ALA A 657 3.783 4.133 0.694 1.00 0.00 C ATOM 694 C ALA A 657 4.462 4.196 2.061 1.00 0.00 C ATOM 695 O ALA A 657 3.809 4.514 3.054 1.00 0.00 O ATOM 696 CB ALA A 657 3.944 5.468 -0.038 1.00 0.00 C ATOM 0 H ALA A 657 1.937 4.396 1.602 1.00 0.00 H new ATOM 0 HA ALA A 657 4.255 3.319 0.144 1.00 0.00 H new ATOM 0 HB1 ALA A 657 5.004 5.692 -0.157 1.00 0.00 H new ATOM 0 HB2 ALA A 657 3.475 5.404 -1.020 1.00 0.00 H new ATOM 0 HB3 ALA A 657 3.468 6.260 0.541 1.00 0.00 H new ATOM 702 N GLU A 658 5.758 3.885 2.100 1.00 0.00 N ATOM 703 CA GLU A 658 6.602 3.892 3.292 1.00 0.00 C ATOM 704 C GLU A 658 8.055 4.121 2.867 1.00 0.00 C ATOM 705 O GLU A 658 8.465 3.673 1.790 1.00 0.00 O ATOM 706 CB GLU A 658 6.485 2.541 4.018 1.00 0.00 C ATOM 707 CG GLU A 658 7.121 2.545 5.414 1.00 0.00 C ATOM 708 CD GLU A 658 6.624 3.706 6.274 1.00 0.00 C ATOM 709 OE1 GLU A 658 5.565 3.553 6.928 1.00 0.00 O ATOM 710 OE2 GLU A 658 7.283 4.772 6.246 1.00 0.00 O ATOM 0 H GLU A 658 6.270 3.609 1.262 1.00 0.00 H new ATOM 0 HA GLU A 658 6.282 4.687 3.966 1.00 0.00 H new ATOM 0 HB2 GLU A 658 5.432 2.274 4.107 1.00 0.00 H new ATOM 0 HB3 GLU A 658 6.959 1.769 3.412 1.00 0.00 H new ATOM 0 HG2 GLU A 658 6.898 1.603 5.915 1.00 0.00 H new ATOM 0 HG3 GLU A 658 8.205 2.606 5.317 1.00 0.00 H new ATOM 717 N LYS A 659 8.864 4.819 3.660 1.00 0.00 N ATOM 718 CA LYS A 659 10.258 5.063 3.290 1.00 0.00 C ATOM 719 C LYS A 659 11.089 3.801 3.433 1.00 0.00 C ATOM 720 O LYS A 659 10.729 2.877 4.166 1.00 0.00 O ATOM 721 CB LYS A 659 10.892 6.136 4.179 1.00 0.00 C ATOM 722 CG LYS A 659 10.146 7.459 4.061 1.00 0.00 C ATOM 723 CD LYS A 659 10.847 8.608 4.804 1.00 0.00 C ATOM 724 CE LYS A 659 12.269 8.916 4.305 1.00 0.00 C ATOM 725 NZ LYS A 659 12.322 9.160 2.848 1.00 0.00 N ATOM 0 H LYS A 659 8.584 5.222 4.554 1.00 0.00 H new ATOM 0 HA LYS A 659 10.248 5.396 2.252 1.00 0.00 H new ATOM 0 HB2 LYS A 659 10.885 5.803 5.217 1.00 0.00 H new ATOM 0 HB3 LYS A 659 11.935 6.277 3.896 1.00 0.00 H new ATOM 0 HG2 LYS A 659 10.046 7.721 3.008 1.00 0.00 H new ATOM 0 HG3 LYS A 659 9.138 7.339 4.457 1.00 0.00 H new ATOM 0 HD2 LYS A 659 10.240 9.508 4.711 1.00 0.00 H new ATOM 0 HD3 LYS A 659 10.893 8.363 5.865 1.00 0.00 H new ATOM 0 HE2 LYS A 659 12.652 9.791 4.830 1.00 0.00 H new ATOM 0 HE3 LYS A 659 12.925 8.082 4.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 659 13.293 9.412 2.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 659 12.031 8.300 2.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 659 11.679 9.940 2.603 1.00 0.00 H new ATOM 739 N CYS A 660 12.214 3.752 2.732 1.00 0.00 N ATOM 740 CA CYS A 660 13.143 2.644 2.792 1.00 0.00 C ATOM 741 C CYS A 660 14.501 3.200 2.386 1.00 0.00 C ATOM 742 O CYS A 660 14.565 4.183 1.642 1.00 0.00 O ATOM 743 CB CYS A 660 12.672 1.510 1.884 1.00 0.00 C ATOM 744 SG CYS A 660 13.426 1.416 0.239 1.00 0.00 S ATOM 0 H CYS A 660 12.506 4.495 2.097 1.00 0.00 H new ATOM 0 HA CYS A 660 13.208 2.214 3.792 1.00 0.00 H new ATOM 0 HB2 CYS A 660 12.855 0.566 2.396 1.00 0.00 H new ATOM 0 HB3 CYS A 660 11.593 1.601 1.759 1.00 0.00 H new ATOM 749 N MET A 661 15.589 2.629 2.882 1.00 0.00 N ATOM 750 CA MET A 661 16.935 3.047 2.548 1.00 0.00 C ATOM 751 C MET A 661 17.777 1.796 2.690 1.00 0.00 C ATOM 752 O MET A 661 18.158 1.395 3.799 1.00 0.00 O ATOM 753 CB MET A 661 17.487 4.186 3.413 1.00 0.00 C ATOM 754 CG MET A 661 16.553 5.398 3.569 1.00 0.00 C ATOM 755 SD MET A 661 17.223 6.869 4.400 1.00 0.00 S ATOM 756 CE MET A 661 18.462 7.381 3.188 1.00 0.00 C ATOM 0 H MET A 661 15.556 1.849 3.539 1.00 0.00 H new ATOM 0 HA MET A 661 16.950 3.467 1.542 1.00 0.00 H new ATOM 0 HB2 MET A 661 17.714 3.792 4.404 1.00 0.00 H new ATOM 0 HB3 MET A 661 18.429 4.526 2.982 1.00 0.00 H new ATOM 0 HG2 MET A 661 16.219 5.696 2.575 1.00 0.00 H new ATOM 0 HG3 MET A 661 15.669 5.074 4.119 1.00 0.00 H new ATOM 0 HE1 MET A 661 19.458 7.272 3.617 1.00 0.00 H new ATOM 0 HE2 MET A 661 18.380 6.757 2.298 1.00 0.00 H new ATOM 0 HE3 MET A 661 18.296 8.424 2.916 1.00 0.00 H new ATOM 766 N LEU A 662 17.946 1.105 1.573 1.00 0.00 N ATOM 767 CA LEU A 662 18.738 -0.106 1.531 1.00 0.00 C ATOM 768 C LEU A 662 20.205 0.263 1.828 1.00 0.00 C ATOM 769 O LEU A 662 20.555 1.453 1.796 1.00 0.00 O ATOM 770 CB LEU A 662 18.587 -0.742 0.132 1.00 0.00 C ATOM 771 CG LEU A 662 17.408 -1.695 -0.124 1.00 0.00 C ATOM 772 CD1 LEU A 662 17.659 -3.047 0.537 1.00 0.00 C ATOM 773 CD2 LEU A 662 16.049 -1.126 0.291 1.00 0.00 C ATOM 0 H LEU A 662 17.538 1.370 0.676 1.00 0.00 H new ATOM 0 HA LEU A 662 18.404 -0.829 2.276 1.00 0.00 H new ATOM 0 HB2 LEU A 662 18.520 0.069 -0.594 1.00 0.00 H new ATOM 0 HB3 LEU A 662 19.506 -1.288 -0.084 1.00 0.00 H new ATOM 0 HG LEU A 662 17.354 -1.826 -1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 662 16.814 -3.708 0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 662 18.567 -3.490 0.127 1.00 0.00 H new ATOM 0 HD13 LEU A 662 17.776 -2.910 1.612 1.00 0.00 H new ATOM 0 HD21 LEU A 662 15.269 -1.857 0.079 1.00 0.00 H new ATOM 0 HD22 LEU A 662 16.058 -0.904 1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 662 15.851 -0.211 -0.268 1.00 0.00 H new ATOM 785 N PRO A 663 21.069 -0.719 2.135 1.00 0.00 N ATOM 786 CA PRO A 663 22.475 -0.455 2.398 1.00 0.00 C ATOM 787 C PRO A 663 23.168 -0.076 1.081 1.00 0.00 C ATOM 788 O PRO A 663 22.531 0.050 0.034 1.00 0.00 O ATOM 789 CB PRO A 663 23.011 -1.755 2.997 1.00 0.00 C ATOM 790 CG PRO A 663 22.165 -2.823 2.310 1.00 0.00 C ATOM 791 CD PRO A 663 20.798 -2.149 2.220 1.00 0.00 C ATOM 0 HA PRO A 663 22.649 0.376 3.082 1.00 0.00 H new ATOM 0 HB2 PRO A 663 24.073 -1.887 2.791 1.00 0.00 H new ATOM 0 HB3 PRO A 663 22.891 -1.780 4.080 1.00 0.00 H new ATOM 0 HG2 PRO A 663 22.557 -3.081 1.326 1.00 0.00 H new ATOM 0 HG3 PRO A 663 22.126 -3.745 2.889 1.00 0.00 H new ATOM 0 HD2 PRO A 663 20.247 -2.496 1.346 1.00 0.00 H new ATOM 0 HD3 PRO A 663 20.189 -2.381 3.093 1.00 0.00 H new ATOM 799 N GLU A 664 24.469 0.186 1.119 1.00 0.00 N ATOM 800 CA GLU A 664 25.204 0.537 -0.091 1.00 0.00 C ATOM 801 C GLU A 664 25.182 -0.634 -1.075 1.00 0.00 C ATOM 802 O GLU A 664 25.070 -1.803 -0.685 1.00 0.00 O ATOM 803 CB GLU A 664 26.624 0.991 0.261 1.00 0.00 C ATOM 804 CG GLU A 664 27.453 -0.189 0.781 1.00 0.00 C ATOM 805 CD GLU A 664 28.784 0.207 1.400 1.00 0.00 C ATOM 806 OE1 GLU A 664 28.866 1.287 2.035 1.00 0.00 O ATOM 807 OE2 GLU A 664 29.669 -0.680 1.412 1.00 0.00 O ATOM 0 H GLU A 664 25.034 0.163 1.968 1.00 0.00 H new ATOM 0 HA GLU A 664 24.719 1.379 -0.585 1.00 0.00 H new ATOM 0 HB2 GLU A 664 27.103 1.420 -0.619 1.00 0.00 H new ATOM 0 HB3 GLU A 664 26.584 1.776 1.016 1.00 0.00 H new ATOM 0 HG2 GLU A 664 26.867 -0.731 1.524 1.00 0.00 H new ATOM 0 HG3 GLU A 664 27.639 -0.878 -0.043 1.00 0.00 H new ATOM 814 N CYS A 665 25.304 -0.298 -2.357 1.00 0.00 N ATOM 815 CA CYS A 665 25.293 -1.278 -3.426 1.00 0.00 C ATOM 816 C CYS A 665 26.442 -2.293 -3.269 1.00 0.00 C ATOM 817 O CYS A 665 27.541 -1.902 -2.860 1.00 0.00 O ATOM 818 CB CYS A 665 25.311 -0.562 -4.775 1.00 0.00 C ATOM 819 SG CYS A 665 24.116 0.785 -5.012 1.00 0.00 S ATOM 0 H CYS A 665 25.413 0.664 -2.678 1.00 0.00 H new ATOM 0 HA CYS A 665 24.374 -1.862 -3.373 1.00 0.00 H new ATOM 0 HB2 CYS A 665 26.311 -0.158 -4.930 1.00 0.00 H new ATOM 0 HB3 CYS A 665 25.143 -1.305 -5.555 1.00 0.00 H new ATOM 824 N PRO A 666 26.191 -3.575 -3.590 1.00 0.00 N ATOM 825 CA PRO A 666 27.162 -4.657 -3.479 1.00 0.00 C ATOM 826 C PRO A 666 28.162 -4.684 -4.633 1.00 0.00 C ATOM 827 O PRO A 666 29.055 -5.557 -4.594 1.00 0.00 O ATOM 828 CB PRO A 666 26.302 -5.922 -3.484 1.00 0.00 C ATOM 829 CG PRO A 666 25.192 -5.552 -4.457 1.00 0.00 C ATOM 830 CD PRO A 666 24.922 -4.102 -4.083 1.00 0.00 C ATOM 0 HA PRO A 666 27.776 -4.547 -2.585 1.00 0.00 H new ATOM 0 HB2 PRO A 666 26.863 -6.794 -3.819 1.00 0.00 H new ATOM 0 HB3 PRO A 666 25.914 -6.154 -2.492 1.00 0.00 H new ATOM 0 HG2 PRO A 666 25.507 -5.655 -5.495 1.00 0.00 H new ATOM 0 HG3 PRO A 666 24.310 -6.179 -4.328 1.00 0.00 H new ATOM 0 HD2 PRO A 666 24.572 -3.535 -4.945 1.00 0.00 H new ATOM 0 HD3 PRO A 666 24.147 -4.033 -3.320 1.00 0.00 H new