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 -114:sc= 1.27 USER MOD Single : A 621 SER OG : rot 180:sc= 0 USER MOD Single : A 624 SER OG : rot 180:sc= 0.0317 USER MOD Single : A 627 SER OG : rot 180:sc= 0 USER MOD Single : A 629 THR OG1 : rot 180:sc= 0.00225 USER MOD Single : A 632 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 634 MET CE :methyl -167:sc= -0.054 (180deg=-0.298) 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 170:sc= 0 (180deg=-0.107) USER MOD Single : A 642 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0223) USER MOD Single : A 643 SER OG : rot -100:sc= -0.137 USER MOD Single : A 651 ASN : amide:sc= -0.423 K(o=-0.42,f=-1.5!) USER MOD Single : A 656 GLN : amide:sc= 0.12 K(o=0.12,f=-1.6) USER MOD Single : A 659 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 661 MET CE :methyl -166:sc= -0.015 (180deg=-0.301) USER MOD ----------------------------------------------------------------- ATOM 38 N PRO A 614 -21.211 3.473 3.960 1.00 0.00 N ATOM 39 CA PRO A 614 -19.800 3.772 3.969 1.00 0.00 C ATOM 40 C PRO A 614 -19.035 2.852 3.014 1.00 0.00 C ATOM 41 O PRO A 614 -19.559 1.857 2.485 1.00 0.00 O ATOM 42 CB PRO A 614 -19.344 3.589 5.414 1.00 0.00 C ATOM 43 CG PRO A 614 -20.262 2.467 5.863 1.00 0.00 C ATOM 44 CD PRO A 614 -21.587 2.847 5.218 1.00 0.00 C ATOM 0 HA PRO A 614 -19.603 4.787 3.623 1.00 0.00 H new ATOM 0 HB2 PRO A 614 -18.291 3.314 5.483 1.00 0.00 H new ATOM 0 HB3 PRO A 614 -19.477 4.494 6.007 1.00 0.00 H new ATOM 0 HG2 PRO A 614 -19.909 1.493 5.522 1.00 0.00 H new ATOM 0 HG3 PRO A 614 -20.339 2.416 6.949 1.00 0.00 H new ATOM 0 HD2 PRO A 614 -22.215 1.971 5.054 1.00 0.00 H new ATOM 0 HD3 PRO A 614 -22.154 3.532 5.849 1.00 0.00 H new ATOM 52 N CYS A 615 -17.765 3.188 2.800 1.00 0.00 N ATOM 53 CA CYS A 615 -16.909 2.406 1.930 1.00 0.00 C ATOM 54 C CYS A 615 -16.639 1.025 2.543 1.00 0.00 C ATOM 55 O CYS A 615 -16.664 0.871 3.764 1.00 0.00 O ATOM 56 CB CYS A 615 -15.621 3.179 1.661 1.00 0.00 C ATOM 57 SG CYS A 615 -15.892 4.828 0.962 1.00 0.00 S ATOM 0 H CYS A 615 -17.311 3.999 3.221 1.00 0.00 H new ATOM 0 HA CYS A 615 -17.407 2.236 0.975 1.00 0.00 H new ATOM 0 HB2 CYS A 615 -15.065 3.277 2.593 1.00 0.00 H new ATOM 0 HB3 CYS A 615 -14.998 2.602 0.977 1.00 0.00 H new ATOM 62 N LEU A 616 -16.349 0.017 1.713 1.00 0.00 N ATOM 63 CA LEU A 616 -16.076 -1.350 2.157 1.00 0.00 C ATOM 64 C LEU A 616 -14.970 -1.911 1.276 1.00 0.00 C ATOM 65 O LEU A 616 -15.187 -2.206 0.098 1.00 0.00 O ATOM 66 CB LEU A 616 -17.367 -2.186 2.096 1.00 0.00 C ATOM 67 CG LEU A 616 -17.356 -3.553 2.808 1.00 0.00 C ATOM 68 CD1 LEU A 616 -16.374 -4.573 2.222 1.00 0.00 C ATOM 69 CD2 LEU A 616 -17.091 -3.404 4.308 1.00 0.00 C ATOM 0 H LEU A 616 -16.297 0.132 0.701 1.00 0.00 H new ATOM 0 HA LEU A 616 -15.741 -1.375 3.194 1.00 0.00 H new ATOM 0 HB2 LEU A 616 -18.175 -1.591 2.521 1.00 0.00 H new ATOM 0 HB3 LEU A 616 -17.612 -2.354 1.047 1.00 0.00 H new ATOM 0 HG LEU A 616 -18.358 -3.949 2.640 1.00 0.00 H new ATOM 0 HD11 LEU A 616 -16.436 -5.503 2.786 1.00 0.00 H new ATOM 0 HD12 LEU A 616 -16.627 -4.764 1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 616 -15.360 -4.178 2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 616 -17.090 -4.388 4.777 1.00 0.00 H new ATOM 0 HD22 LEU A 616 -16.122 -2.929 4.461 1.00 0.00 H new ATOM 0 HD23 LEU A 616 -17.872 -2.789 4.756 1.00 0.00 H new ATOM 81 N LEU A 617 -13.769 -2.044 1.837 1.00 0.00 N ATOM 82 CA LEU A 617 -12.599 -2.545 1.141 1.00 0.00 C ATOM 83 C LEU A 617 -11.798 -3.514 2.015 1.00 0.00 C ATOM 84 O LEU A 617 -12.093 -3.707 3.201 1.00 0.00 O ATOM 85 CB LEU A 617 -11.704 -1.386 0.655 1.00 0.00 C ATOM 86 CG LEU A 617 -12.299 0.023 0.476 1.00 0.00 C ATOM 87 CD1 LEU A 617 -12.459 0.779 1.802 1.00 0.00 C ATOM 88 CD2 LEU A 617 -11.359 0.822 -0.432 1.00 0.00 C ATOM 0 H LEU A 617 -13.585 -1.799 2.810 1.00 0.00 H new ATOM 0 HA LEU A 617 -12.951 -3.095 0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 617 -10.874 -1.301 1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 617 -11.281 -1.684 -0.304 1.00 0.00 H new ATOM 0 HG LEU A 617 -13.294 -0.087 0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 617 -12.883 1.765 1.610 1.00 0.00 H new ATOM 0 HD12 LEU A 617 -13.123 0.221 2.461 1.00 0.00 H new ATOM 0 HD13 LEU A 617 -11.485 0.889 2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 617 -11.758 1.826 -0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 617 -10.374 0.886 0.030 1.00 0.00 H new ATOM 0 HD23 LEU A 617 -11.275 0.324 -1.398 1.00 0.00 H new ATOM 100 N SER A 618 -10.795 -4.146 1.410 1.00 0.00 N ATOM 101 CA SER A 618 -9.905 -5.100 2.056 1.00 0.00 C ATOM 102 C SER A 618 -8.760 -4.370 2.774 1.00 0.00 C ATOM 103 O SER A 618 -8.499 -3.206 2.443 1.00 0.00 O ATOM 104 CB SER A 618 -9.343 -6.012 0.960 1.00 0.00 C ATOM 105 OG SER A 618 -8.558 -5.310 0.019 1.00 0.00 O ATOM 0 H SER A 618 -10.575 -4.002 0.425 1.00 0.00 H new ATOM 0 HA SER A 618 -10.447 -5.679 2.804 1.00 0.00 H new ATOM 0 HB2 SER A 618 -8.740 -6.796 1.418 1.00 0.00 H new ATOM 0 HB3 SER A 618 -10.167 -6.505 0.444 1.00 0.00 H new ATOM 0 HG SER A 618 -8.999 -5.332 -0.856 1.00 0.00 H new ATOM 111 N PRO A 619 -8.053 -5.013 3.719 1.00 0.00 N ATOM 112 CA PRO A 619 -6.927 -4.397 4.413 1.00 0.00 C ATOM 113 C PRO A 619 -5.696 -4.344 3.493 1.00 0.00 C ATOM 114 O PRO A 619 -5.650 -4.996 2.444 1.00 0.00 O ATOM 115 CB PRO A 619 -6.670 -5.301 5.620 1.00 0.00 C ATOM 116 CG PRO A 619 -7.091 -6.680 5.123 1.00 0.00 C ATOM 117 CD PRO A 619 -8.271 -6.369 4.208 1.00 0.00 C ATOM 0 HA PRO A 619 -7.134 -3.369 4.712 1.00 0.00 H new ATOM 0 HB2 PRO A 619 -5.622 -5.284 5.919 1.00 0.00 H new ATOM 0 HB3 PRO A 619 -7.254 -4.990 6.487 1.00 0.00 H new ATOM 0 HG2 PRO A 619 -6.284 -7.179 4.586 1.00 0.00 H new ATOM 0 HG3 PRO A 619 -7.379 -7.335 5.945 1.00 0.00 H new ATOM 0 HD2 PRO A 619 -8.322 -7.078 3.382 1.00 0.00 H new ATOM 0 HD3 PRO A 619 -9.214 -6.442 4.749 1.00 0.00 H new ATOM 125 N TRP A 620 -4.685 -3.573 3.894 1.00 0.00 N ATOM 126 CA TRP A 620 -3.441 -3.425 3.158 1.00 0.00 C ATOM 127 C TRP A 620 -2.684 -4.747 3.156 1.00 0.00 C ATOM 128 O TRP A 620 -2.466 -5.326 4.225 1.00 0.00 O ATOM 129 CB TRP A 620 -2.558 -2.354 3.805 1.00 0.00 C ATOM 130 CG TRP A 620 -3.115 -0.976 3.766 1.00 0.00 C ATOM 131 CD1 TRP A 620 -3.609 -0.265 4.802 1.00 0.00 C ATOM 132 CD2 TRP A 620 -3.288 -0.153 2.586 1.00 0.00 C ATOM 133 NE1 TRP A 620 -4.150 0.911 4.324 1.00 0.00 N ATOM 134 CE2 TRP A 620 -4.035 0.999 2.956 1.00 0.00 C ATOM 135 CE3 TRP A 620 -2.935 -0.305 1.232 1.00 0.00 C ATOM 136 CZ2 TRP A 620 -4.488 1.919 2.007 1.00 0.00 C ATOM 137 CZ3 TRP A 620 -3.345 0.643 0.282 1.00 0.00 C ATOM 138 CH2 TRP A 620 -4.145 1.731 0.661 1.00 0.00 C ATOM 0 H TRP A 620 -4.714 -3.027 4.755 1.00 0.00 H new ATOM 0 HA TRP A 620 -3.680 -3.128 2.137 1.00 0.00 H new ATOM 0 HB2 TRP A 620 -2.381 -2.629 4.845 1.00 0.00 H new ATOM 0 HB3 TRP A 620 -1.589 -2.353 3.306 1.00 0.00 H new ATOM 0 HD1 TRP A 620 -3.585 -0.568 5.838 1.00 0.00 H new ATOM 0 HE1 TRP A 620 -4.581 1.625 4.911 1.00 0.00 H new ATOM 0 HE3 TRP A 620 -2.346 -1.155 0.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 620 -5.093 2.762 2.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 620 -3.042 0.534 -0.749 1.00 0.00 H new ATOM 0 HH2 TRP A 620 -4.498 2.426 -0.087 1.00 0.00 H new ATOM 149 N SER A 621 -2.305 -5.226 1.972 1.00 0.00 N ATOM 150 CA SER A 621 -1.553 -6.464 1.854 1.00 0.00 C ATOM 151 C SER A 621 -0.115 -6.201 2.319 1.00 0.00 C ATOM 152 O SER A 621 0.291 -5.060 2.563 1.00 0.00 O ATOM 153 CB SER A 621 -1.587 -6.931 0.388 1.00 0.00 C ATOM 154 OG SER A 621 -1.180 -8.284 0.256 1.00 0.00 O ATOM 0 H SER A 621 -2.509 -4.771 1.082 1.00 0.00 H new ATOM 0 HA SER A 621 -1.987 -7.249 2.474 1.00 0.00 H new ATOM 0 HB2 SER A 621 -2.596 -6.815 -0.007 1.00 0.00 H new ATOM 0 HB3 SER A 621 -0.935 -6.295 -0.211 1.00 0.00 H new ATOM 0 HG SER A 621 -1.216 -8.546 -0.688 1.00 0.00 H new ATOM 160 N GLU A 622 0.655 -7.266 2.492 1.00 0.00 N ATOM 161 CA GLU A 622 2.055 -7.192 2.883 1.00 0.00 C ATOM 162 C GLU A 622 2.796 -6.553 1.701 1.00 0.00 C ATOM 163 O GLU A 622 2.535 -6.886 0.540 1.00 0.00 O ATOM 164 CB GLU A 622 2.579 -8.588 3.252 1.00 0.00 C ATOM 165 CG GLU A 622 2.424 -9.627 2.124 1.00 0.00 C ATOM 166 CD GLU A 622 2.086 -11.026 2.624 1.00 0.00 C ATOM 167 OE1 GLU A 622 1.184 -11.147 3.486 1.00 0.00 O ATOM 168 OE2 GLU A 622 2.631 -12.002 2.059 1.00 0.00 O ATOM 0 H GLU A 622 0.319 -8.220 2.363 1.00 0.00 H new ATOM 0 HA GLU A 622 2.209 -6.585 3.775 1.00 0.00 H new ATOM 0 HB2 GLU A 622 3.633 -8.511 3.521 1.00 0.00 H new ATOM 0 HB3 GLU A 622 2.049 -8.943 4.136 1.00 0.00 H new ATOM 0 HG2 GLU A 622 1.642 -9.296 1.441 1.00 0.00 H new ATOM 0 HG3 GLU A 622 3.350 -9.669 1.551 1.00 0.00 H new ATOM 175 N TRP A 623 3.687 -5.613 2.004 1.00 0.00 N ATOM 176 CA TRP A 623 4.481 -4.873 1.040 1.00 0.00 C ATOM 177 C TRP A 623 5.351 -5.759 0.153 1.00 0.00 C ATOM 178 O TRP A 623 5.719 -6.877 0.541 1.00 0.00 O ATOM 179 CB TRP A 623 5.443 -3.954 1.803 1.00 0.00 C ATOM 180 CG TRP A 623 4.852 -2.938 2.720 1.00 0.00 C ATOM 181 CD1 TRP A 623 4.390 -3.135 3.973 1.00 0.00 C ATOM 182 CD2 TRP A 623 4.715 -1.518 2.468 1.00 0.00 C ATOM 183 NE1 TRP A 623 3.952 -1.932 4.487 1.00 0.00 N ATOM 184 CE2 TRP A 623 4.046 -0.910 3.567 1.00 0.00 C ATOM 185 CE3 TRP A 623 5.111 -0.688 1.410 1.00 0.00 C ATOM 186 CZ2 TRP A 623 3.632 0.433 3.536 1.00 0.00 C ATOM 187 CZ3 TRP A 623 4.768 0.666 1.411 1.00 0.00 C ATOM 188 CH2 TRP A 623 3.953 1.206 2.405 1.00 0.00 C ATOM 0 H TRP A 623 3.880 -5.339 2.967 1.00 0.00 H new ATOM 0 HA TRP A 623 3.772 -4.338 0.408 1.00 0.00 H new ATOM 0 HB2 TRP A 623 6.114 -4.583 2.388 1.00 0.00 H new ATOM 0 HB3 TRP A 623 6.056 -3.428 1.071 1.00 0.00 H new ATOM 0 HD1 TRP A 623 4.367 -4.083 4.490 1.00 0.00 H new ATOM 0 HE1 TRP A 623 3.600 -1.813 5.437 1.00 0.00 H new ATOM 0 HE3 TRP A 623 5.684 -1.097 0.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 623 3.081 0.861 4.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 623 5.141 1.307 0.626 1.00 0.00 H new ATOM 0 HH2 TRP A 623 3.570 2.211 2.307 1.00 0.00 H new ATOM 199 N SER A 624 5.709 -5.210 -1.007 1.00 0.00 N ATOM 200 CA SER A 624 6.575 -5.839 -1.986 1.00 0.00 C ATOM 201 C SER A 624 7.985 -5.288 -1.709 1.00 0.00 C ATOM 202 O SER A 624 8.233 -4.612 -0.698 1.00 0.00 O ATOM 203 CB SER A 624 6.068 -5.471 -3.388 1.00 0.00 C ATOM 204 OG SER A 624 6.715 -6.166 -4.436 1.00 0.00 O ATOM 0 H SER A 624 5.390 -4.285 -1.294 1.00 0.00 H new ATOM 0 HA SER A 624 6.587 -6.927 -1.925 1.00 0.00 H new ATOM 0 HB2 SER A 624 4.998 -5.671 -3.440 1.00 0.00 H new ATOM 0 HB3 SER A 624 6.200 -4.400 -3.541 1.00 0.00 H new ATOM 0 HG SER A 624 6.341 -5.883 -5.296 1.00 0.00 H new ATOM 210 N ASP A 625 8.931 -5.608 -2.586 1.00 0.00 N ATOM 211 CA ASP A 625 10.301 -5.137 -2.463 1.00 0.00 C ATOM 212 C ASP A 625 10.350 -3.644 -2.780 1.00 0.00 C ATOM 213 O ASP A 625 9.537 -3.141 -3.567 1.00 0.00 O ATOM 214 CB ASP A 625 11.213 -5.886 -3.432 1.00 0.00 C ATOM 215 CG ASP A 625 12.677 -5.529 -3.175 1.00 0.00 C ATOM 216 OD1 ASP A 625 13.062 -5.466 -1.984 1.00 0.00 O ATOM 217 OD2 ASP A 625 13.441 -5.372 -4.154 1.00 0.00 O ATOM 0 H ASP A 625 8.767 -6.200 -3.400 1.00 0.00 H new ATOM 0 HA ASP A 625 10.645 -5.316 -1.444 1.00 0.00 H new ATOM 0 HB2 ASP A 625 11.069 -6.961 -3.319 1.00 0.00 H new ATOM 0 HB3 ASP A 625 10.946 -5.635 -4.459 1.00 0.00 H new ATOM 222 N CYS A 626 11.281 -2.922 -2.165 1.00 0.00 N ATOM 223 CA CYS A 626 11.446 -1.494 -2.379 1.00 0.00 C ATOM 224 C CYS A 626 12.015 -1.230 -3.780 1.00 0.00 C ATOM 225 O CYS A 626 12.615 -2.109 -4.401 1.00 0.00 O ATOM 226 CB CYS A 626 12.361 -0.948 -1.285 1.00 0.00 C ATOM 227 SG CYS A 626 11.894 -1.423 0.403 1.00 0.00 S ATOM 0 H CYS A 626 11.946 -3.317 -1.500 1.00 0.00 H new ATOM 0 HA CYS A 626 10.484 -0.985 -2.324 1.00 0.00 H new ATOM 0 HB2 CYS A 626 13.378 -1.291 -1.476 1.00 0.00 H new ATOM 0 HB3 CYS A 626 12.374 0.140 -1.351 1.00 0.00 H new ATOM 232 N SER A 627 11.871 0.006 -4.264 1.00 0.00 N ATOM 233 CA SER A 627 12.341 0.407 -5.582 1.00 0.00 C ATOM 234 C SER A 627 13.869 0.269 -5.725 1.00 0.00 C ATOM 235 O SER A 627 14.346 -0.469 -6.587 1.00 0.00 O ATOM 236 CB SER A 627 11.834 1.827 -5.858 1.00 0.00 C ATOM 237 OG SER A 627 12.272 2.295 -7.117 1.00 0.00 O ATOM 0 H SER A 627 11.421 0.759 -3.744 1.00 0.00 H new ATOM 0 HA SER A 627 11.936 -0.265 -6.339 1.00 0.00 H new ATOM 0 HB2 SER A 627 10.745 1.839 -5.822 1.00 0.00 H new ATOM 0 HB3 SER A 627 12.186 2.499 -5.076 1.00 0.00 H new ATOM 0 HG SER A 627 11.932 3.202 -7.265 1.00 0.00 H new ATOM 243 N VAL A 628 14.647 0.983 -4.908 1.00 0.00 N ATOM 244 CA VAL A 628 16.113 0.962 -4.951 1.00 0.00 C ATOM 245 C VAL A 628 16.675 -0.447 -4.692 1.00 0.00 C ATOM 246 O VAL A 628 16.006 -1.279 -4.073 1.00 0.00 O ATOM 247 CB VAL A 628 16.633 2.012 -3.938 1.00 0.00 C ATOM 248 CG1 VAL A 628 16.731 1.472 -2.509 1.00 0.00 C ATOM 249 CG2 VAL A 628 17.963 2.648 -4.341 1.00 0.00 C ATOM 0 H VAL A 628 14.272 1.601 -4.188 1.00 0.00 H new ATOM 0 HA VAL A 628 16.463 1.224 -5.949 1.00 0.00 H new ATOM 0 HB VAL A 628 15.873 2.793 -3.958 1.00 0.00 H new ATOM 0 HG11 VAL A 628 17.101 2.256 -1.848 1.00 0.00 H new ATOM 0 HG12 VAL A 628 15.745 1.150 -2.173 1.00 0.00 H new ATOM 0 HG13 VAL A 628 17.416 0.625 -2.486 1.00 0.00 H new ATOM 0 HG21 VAL A 628 18.264 3.372 -3.584 1.00 0.00 H new ATOM 0 HG22 VAL A 628 18.726 1.874 -4.426 1.00 0.00 H new ATOM 0 HG23 VAL A 628 17.849 3.152 -5.301 1.00 0.00 H new ATOM 259 N THR A 629 17.924 -0.693 -5.102 1.00 0.00 N ATOM 260 CA THR A 629 18.600 -1.976 -4.896 1.00 0.00 C ATOM 261 C THR A 629 19.576 -1.915 -3.712 1.00 0.00 C ATOM 262 O THR A 629 20.007 -2.966 -3.237 1.00 0.00 O ATOM 263 CB THR A 629 19.298 -2.445 -6.186 1.00 0.00 C ATOM 264 OG1 THR A 629 19.841 -1.377 -6.937 1.00 0.00 O ATOM 265 CG2 THR A 629 18.298 -3.154 -7.095 1.00 0.00 C ATOM 0 H THR A 629 18.496 -0.003 -5.589 1.00 0.00 H new ATOM 0 HA THR A 629 17.840 -2.716 -4.645 1.00 0.00 H new ATOM 0 HB THR A 629 20.103 -3.106 -5.865 1.00 0.00 H new ATOM 0 HG1 THR A 629 20.273 -1.730 -7.743 1.00 0.00 H new ATOM 0 HG21 THR A 629 18.802 -3.482 -8.004 1.00 0.00 H new ATOM 0 HG22 THR A 629 17.885 -4.020 -6.577 1.00 0.00 H new ATOM 0 HG23 THR A 629 17.492 -2.468 -7.354 1.00 0.00 H new ATOM 273 N CYS A 630 19.935 -0.717 -3.241 1.00 0.00 N ATOM 274 CA CYS A 630 20.836 -0.507 -2.117 1.00 0.00 C ATOM 275 C CYS A 630 20.709 0.915 -1.594 1.00 0.00 C ATOM 276 O CYS A 630 20.405 1.834 -2.361 1.00 0.00 O ATOM 277 CB CYS A 630 22.289 -0.767 -2.494 1.00 0.00 C ATOM 278 SG CYS A 630 22.821 -0.314 -4.171 1.00 0.00 S ATOM 0 H CYS A 630 19.594 0.155 -3.647 1.00 0.00 H new ATOM 0 HA CYS A 630 20.548 -1.218 -1.343 1.00 0.00 H new ATOM 0 HB2 CYS A 630 22.920 -0.231 -1.786 1.00 0.00 H new ATOM 0 HB3 CYS A 630 22.486 -1.830 -2.355 1.00 0.00 H new ATOM 283 N GLY A 631 21.014 1.112 -0.314 1.00 0.00 N ATOM 284 CA GLY A 631 20.959 2.412 0.328 1.00 0.00 C ATOM 285 C GLY A 631 19.524 2.942 0.476 1.00 0.00 C ATOM 286 O GLY A 631 18.544 2.193 0.452 1.00 0.00 O ATOM 0 H GLY A 631 21.309 0.361 0.310 1.00 0.00 H new ATOM 0 HA2 GLY A 631 21.420 2.346 1.313 1.00 0.00 H new ATOM 0 HA3 GLY A 631 21.547 3.124 -0.252 1.00 0.00 H new ATOM 290 N LYS A 632 19.396 4.257 0.671 1.00 0.00 N ATOM 291 CA LYS A 632 18.128 4.983 0.829 1.00 0.00 C ATOM 292 C LYS A 632 17.186 4.669 -0.329 1.00 0.00 C ATOM 293 O LYS A 632 17.566 4.814 -1.497 1.00 0.00 O ATOM 294 CB LYS A 632 18.442 6.488 0.911 1.00 0.00 C ATOM 295 CG LYS A 632 17.282 7.477 0.670 1.00 0.00 C ATOM 296 CD LYS A 632 16.636 7.997 1.951 1.00 0.00 C ATOM 297 CE LYS A 632 16.075 6.890 2.847 1.00 0.00 C ATOM 298 NZ LYS A 632 15.395 7.472 4.016 1.00 0.00 N ATOM 0 H LYS A 632 20.207 4.874 0.726 1.00 0.00 H new ATOM 0 HA LYS A 632 17.623 4.671 1.743 1.00 0.00 H new ATOM 0 HB2 LYS A 632 18.856 6.691 1.899 1.00 0.00 H new ATOM 0 HB3 LYS A 632 19.226 6.707 0.186 1.00 0.00 H new ATOM 0 HG2 LYS A 632 17.653 8.324 0.093 1.00 0.00 H new ATOM 0 HG3 LYS A 632 16.520 6.987 0.064 1.00 0.00 H new ATOM 0 HD2 LYS A 632 17.374 8.569 2.514 1.00 0.00 H new ATOM 0 HD3 LYS A 632 15.831 8.684 1.689 1.00 0.00 H new ATOM 0 HE2 LYS A 632 15.376 6.274 2.281 1.00 0.00 H new ATOM 0 HE3 LYS A 632 16.882 6.236 3.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 632 15.020 6.709 4.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 632 16.072 8.041 4.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 632 14.613 8.078 3.696 1.00 0.00 H new ATOM 312 N GLY A 633 15.939 4.331 -0.008 1.00 0.00 N ATOM 313 CA GLY A 633 14.894 3.994 -0.955 1.00 0.00 C ATOM 314 C GLY A 633 13.505 4.315 -0.425 1.00 0.00 C ATOM 315 O GLY A 633 13.326 5.004 0.581 1.00 0.00 O ATOM 0 H GLY A 633 15.622 4.284 0.961 1.00 0.00 H new ATOM 0 HA2 GLY A 633 15.060 4.539 -1.884 1.00 0.00 H new ATOM 0 HA3 GLY A 633 14.952 2.932 -1.193 1.00 0.00 H new ATOM 319 N MET A 634 12.506 3.810 -1.139 1.00 0.00 N ATOM 320 CA MET A 634 11.091 3.958 -0.855 1.00 0.00 C ATOM 321 C MET A 634 10.387 2.706 -1.357 1.00 0.00 C ATOM 322 O MET A 634 10.857 2.066 -2.308 1.00 0.00 O ATOM 323 CB MET A 634 10.527 5.148 -1.651 1.00 0.00 C ATOM 324 CG MET A 634 10.858 6.514 -1.048 1.00 0.00 C ATOM 325 SD MET A 634 10.081 6.892 0.550 1.00 0.00 S ATOM 326 CE MET A 634 8.319 6.810 0.135 1.00 0.00 C ATOM 0 H MET A 634 12.676 3.256 -1.978 1.00 0.00 H new ATOM 0 HA MET A 634 10.941 4.113 0.213 1.00 0.00 H new ATOM 0 HB2 MET A 634 10.916 5.108 -2.669 1.00 0.00 H new ATOM 0 HB3 MET A 634 9.444 5.045 -1.719 1.00 0.00 H new ATOM 0 HG2 MET A 634 11.939 6.583 -0.929 1.00 0.00 H new ATOM 0 HG3 MET A 634 10.566 7.284 -1.762 1.00 0.00 H new ATOM 0 HE1 MET A 634 7.733 7.241 0.947 1.00 0.00 H new ATOM 0 HE2 MET A 634 8.135 7.370 -0.782 1.00 0.00 H new ATOM 0 HE3 MET A 634 8.027 5.770 -0.010 1.00 0.00 H new ATOM 336 N ARG A 635 9.255 2.374 -0.742 1.00 0.00 N ATOM 337 CA ARG A 635 8.421 1.244 -1.130 1.00 0.00 C ATOM 338 C ARG A 635 6.978 1.704 -1.183 1.00 0.00 C ATOM 339 O ARG A 635 6.650 2.785 -0.684 1.00 0.00 O ATOM 340 CB ARG A 635 8.566 0.074 -0.161 1.00 0.00 C ATOM 341 CG ARG A 635 8.499 0.490 1.306 1.00 0.00 C ATOM 342 CD ARG A 635 8.632 -0.765 2.148 1.00 0.00 C ATOM 343 NE ARG A 635 9.040 -0.429 3.508 1.00 0.00 N ATOM 344 CZ ARG A 635 9.697 -1.250 4.340 1.00 0.00 C ATOM 345 NH1 ARG A 635 10.248 -2.378 3.896 1.00 0.00 N ATOM 346 NH2 ARG A 635 9.769 -0.940 5.623 1.00 0.00 N ATOM 0 H ARG A 635 8.886 2.894 0.055 1.00 0.00 H new ATOM 0 HA ARG A 635 8.743 0.891 -2.110 1.00 0.00 H new ATOM 0 HB2 ARG A 635 7.779 -0.653 -0.361 1.00 0.00 H new ATOM 0 HB3 ARG A 635 9.517 -0.426 -0.346 1.00 0.00 H new ATOM 0 HG2 ARG A 635 9.297 1.194 1.541 1.00 0.00 H new ATOM 0 HG3 ARG A 635 7.556 0.994 1.518 1.00 0.00 H new ATOM 0 HD2 ARG A 635 7.682 -1.298 2.169 1.00 0.00 H new ATOM 0 HD3 ARG A 635 9.364 -1.436 1.698 1.00 0.00 H new ATOM 0 HE ARG A 635 8.807 0.502 3.852 1.00 0.00 H new ATOM 0 HH11 ARG A 635 10.174 -2.628 2.910 1.00 0.00 H new ATOM 0 HH12 ARG A 635 10.744 -2.992 4.542 1.00 0.00 H new ATOM 0 HH21 ARG A 635 9.328 -0.087 5.967 1.00 0.00 H new ATOM 0 HH22 ARG A 635 10.265 -1.554 6.269 1.00 0.00 H new ATOM 360 N THR A 636 6.119 0.885 -1.771 1.00 0.00 N ATOM 361 CA THR A 636 4.697 1.137 -1.906 1.00 0.00 C ATOM 362 C THR A 636 3.973 -0.196 -1.735 1.00 0.00 C ATOM 363 O THR A 636 4.601 -1.260 -1.719 1.00 0.00 O ATOM 364 CB THR A 636 4.377 1.813 -3.242 1.00 0.00 C ATOM 365 OG1 THR A 636 4.875 1.061 -4.327 1.00 0.00 O ATOM 366 CG2 THR A 636 5.006 3.200 -3.374 1.00 0.00 C ATOM 0 H THR A 636 6.406 -0.004 -2.181 1.00 0.00 H new ATOM 0 HA THR A 636 4.356 1.832 -1.139 1.00 0.00 H new ATOM 0 HB THR A 636 3.290 1.888 -3.261 1.00 0.00 H new ATOM 0 HG1 THR A 636 4.655 1.514 -5.168 1.00 0.00 H new ATOM 0 HG21 THR A 636 4.743 3.628 -4.341 1.00 0.00 H new ATOM 0 HG22 THR A 636 4.634 3.846 -2.579 1.00 0.00 H new ATOM 0 HG23 THR A 636 6.090 3.117 -3.296 1.00 0.00 H new ATOM 374 N ARG A 637 2.666 -0.154 -1.506 1.00 0.00 N ATOM 375 CA ARG A 637 1.829 -1.339 -1.368 1.00 0.00 C ATOM 376 C ARG A 637 0.429 -0.935 -1.761 1.00 0.00 C ATOM 377 O ARG A 637 0.101 0.257 -1.707 1.00 0.00 O ATOM 378 CB ARG A 637 1.871 -1.991 0.016 1.00 0.00 C ATOM 379 CG ARG A 637 1.277 -1.154 1.153 1.00 0.00 C ATOM 380 CD ARG A 637 0.986 -2.101 2.313 1.00 0.00 C ATOM 381 NE ARG A 637 0.838 -1.415 3.601 1.00 0.00 N ATOM 382 CZ ARG A 637 0.861 -2.073 4.764 1.00 0.00 C ATOM 383 NH1 ARG A 637 0.736 -3.396 4.792 1.00 0.00 N ATOM 384 NH2 ARG A 637 1.041 -1.401 5.891 1.00 0.00 N ATOM 0 H ARG A 637 2.149 0.720 -1.409 1.00 0.00 H new ATOM 0 HA ARG A 637 2.217 -2.119 -2.022 1.00 0.00 H new ATOM 0 HB2 ARG A 637 1.337 -2.940 -0.031 1.00 0.00 H new ATOM 0 HB3 ARG A 637 2.908 -2.221 0.260 1.00 0.00 H new ATOM 0 HG2 ARG A 637 1.974 -0.374 1.460 1.00 0.00 H new ATOM 0 HG3 ARG A 637 0.364 -0.656 0.826 1.00 0.00 H new ATOM 0 HD2 ARG A 637 0.073 -2.657 2.099 1.00 0.00 H new ATOM 0 HD3 ARG A 637 1.793 -2.830 2.388 1.00 0.00 H new ATOM 0 HE ARG A 637 0.713 -0.403 3.609 1.00 0.00 H new ATOM 0 HH11 ARG A 637 0.622 -3.916 3.922 1.00 0.00 H new ATOM 0 HH12 ARG A 637 0.755 -3.891 5.684 1.00 0.00 H new ATOM 0 HH21 ARG A 637 1.161 -0.388 5.867 1.00 0.00 H new ATOM 0 HH22 ARG A 637 1.060 -1.896 6.783 1.00 0.00 H new ATOM 398 N GLN A 638 -0.414 -1.912 -2.052 1.00 0.00 N ATOM 399 CA GLN A 638 -1.776 -1.673 -2.463 1.00 0.00 C ATOM 400 C GLN A 638 -2.737 -2.636 -1.779 1.00 0.00 C ATOM 401 O GLN A 638 -2.381 -3.409 -0.880 1.00 0.00 O ATOM 402 CB GLN A 638 -1.823 -1.702 -4.004 1.00 0.00 C ATOM 403 CG GLN A 638 -1.726 -3.104 -4.615 1.00 0.00 C ATOM 404 CD GLN A 638 -1.310 -3.073 -6.082 1.00 0.00 C ATOM 405 OE1 GLN A 638 -2.009 -2.536 -6.943 1.00 0.00 O ATOM 406 NE2 GLN A 638 -0.175 -3.662 -6.415 1.00 0.00 N ATOM 0 H GLN A 638 -0.164 -2.900 -2.007 1.00 0.00 H new ATOM 0 HA GLN A 638 -2.117 -0.688 -2.143 1.00 0.00 H new ATOM 0 HB2 GLN A 638 -2.752 -1.238 -4.336 1.00 0.00 H new ATOM 0 HB3 GLN A 638 -1.006 -1.093 -4.392 1.00 0.00 H new ATOM 0 HG2 GLN A 638 -1.006 -3.695 -4.049 1.00 0.00 H new ATOM 0 HG3 GLN A 638 -2.690 -3.604 -4.524 1.00 0.00 H new ATOM 0 HE21 GLN A 638 0.399 -4.105 -5.698 1.00 0.00 H new ATOM 0 HE22 GLN A 638 0.127 -3.674 -7.389 1.00 0.00 H new ATOM 415 N ARG A 639 -4.000 -2.511 -2.157 1.00 0.00 N ATOM 416 CA ARG A 639 -5.119 -3.308 -1.701 1.00 0.00 C ATOM 417 C ARG A 639 -6.128 -3.303 -2.838 1.00 0.00 C ATOM 418 O ARG A 639 -6.067 -2.426 -3.700 1.00 0.00 O ATOM 419 CB ARG A 639 -5.676 -2.769 -0.381 1.00 0.00 C ATOM 420 CG ARG A 639 -6.137 -1.296 -0.393 1.00 0.00 C ATOM 421 CD ARG A 639 -6.505 -0.910 1.046 1.00 0.00 C ATOM 422 NE ARG A 639 -7.302 0.325 1.171 1.00 0.00 N ATOM 423 CZ ARG A 639 -8.200 0.578 2.136 1.00 0.00 C ATOM 424 NH1 ARG A 639 -8.667 -0.398 2.914 1.00 0.00 N ATOM 425 NH2 ARG A 639 -8.654 1.810 2.318 1.00 0.00 N ATOM 0 H ARG A 639 -4.284 -1.803 -2.834 1.00 0.00 H new ATOM 0 HA ARG A 639 -4.831 -4.334 -1.474 1.00 0.00 H new ATOM 0 HB2 ARG A 639 -6.521 -3.391 -0.085 1.00 0.00 H new ATOM 0 HB3 ARG A 639 -4.911 -2.883 0.387 1.00 0.00 H new ATOM 0 HG2 ARG A 639 -5.344 -0.650 -0.771 1.00 0.00 H new ATOM 0 HG3 ARG A 639 -6.994 -1.169 -1.054 1.00 0.00 H new ATOM 0 HD2 ARG A 639 -7.061 -1.732 1.497 1.00 0.00 H new ATOM 0 HD3 ARG A 639 -5.587 -0.793 1.622 1.00 0.00 H new ATOM 0 HE ARG A 639 -7.159 1.047 0.465 1.00 0.00 H new ATOM 0 HH11 ARG A 639 -8.342 -1.356 2.781 1.00 0.00 H new ATOM 0 HH12 ARG A 639 -9.349 -0.187 3.642 1.00 0.00 H new ATOM 0 HH21 ARG A 639 -8.321 2.569 1.724 1.00 0.00 H new ATOM 0 HH22 ARG A 639 -9.336 1.999 3.052 1.00 0.00 H new ATOM 439 N MET A 640 -7.059 -4.249 -2.835 1.00 0.00 N ATOM 440 CA MET A 640 -8.070 -4.366 -3.875 1.00 0.00 C ATOM 441 C MET A 640 -9.467 -4.197 -3.296 1.00 0.00 C ATOM 442 O MET A 640 -9.791 -4.776 -2.253 1.00 0.00 O ATOM 443 CB MET A 640 -7.918 -5.716 -4.586 1.00 0.00 C ATOM 444 CG MET A 640 -6.629 -5.813 -5.414 1.00 0.00 C ATOM 445 SD MET A 640 -6.436 -7.363 -6.346 1.00 0.00 S ATOM 446 CE MET A 640 -7.707 -7.126 -7.621 1.00 0.00 C ATOM 0 H MET A 640 -7.133 -4.959 -2.107 1.00 0.00 H new ATOM 0 HA MET A 640 -7.926 -3.569 -4.605 1.00 0.00 H new ATOM 0 HB2 MET A 640 -7.928 -6.515 -3.844 1.00 0.00 H new ATOM 0 HB3 MET A 640 -8.776 -5.876 -5.239 1.00 0.00 H new ATOM 0 HG2 MET A 640 -6.600 -4.978 -6.114 1.00 0.00 H new ATOM 0 HG3 MET A 640 -5.775 -5.698 -4.746 1.00 0.00 H new ATOM 0 HE1 MET A 640 -7.607 -7.899 -8.383 1.00 0.00 H new ATOM 0 HE2 MET A 640 -8.695 -7.191 -7.166 1.00 0.00 H new ATOM 0 HE3 MET A 640 -7.583 -6.145 -8.081 1.00 0.00 H new ATOM 456 N LEU A 641 -10.304 -3.414 -3.985 1.00 0.00 N ATOM 457 CA LEU A 641 -11.677 -3.167 -3.574 1.00 0.00 C ATOM 458 C LEU A 641 -12.385 -4.512 -3.505 1.00 0.00 C ATOM 459 O LEU A 641 -12.350 -5.293 -4.465 1.00 0.00 O ATOM 460 CB LEU A 641 -12.406 -2.246 -4.565 1.00 0.00 C ATOM 461 CG LEU A 641 -13.814 -1.833 -4.102 1.00 0.00 C ATOM 462 CD1 LEU A 641 -13.774 -0.973 -2.836 1.00 0.00 C ATOM 463 CD2 LEU A 641 -14.534 -1.088 -5.228 1.00 0.00 C ATOM 0 H LEU A 641 -10.040 -2.935 -4.846 1.00 0.00 H new ATOM 0 HA LEU A 641 -11.682 -2.668 -2.605 1.00 0.00 H new ATOM 0 HB2 LEU A 641 -11.807 -1.349 -4.722 1.00 0.00 H new ATOM 0 HB3 LEU A 641 -12.483 -2.751 -5.528 1.00 0.00 H new ATOM 0 HG LEU A 641 -14.363 -2.742 -3.857 1.00 0.00 H new ATOM 0 HD11 LEU A 641 -14.790 -0.705 -2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 641 -13.303 -1.535 -2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 641 -13.201 -0.066 -3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 641 -15.530 -0.798 -4.894 1.00 0.00 H new ATOM 0 HD22 LEU A 641 -13.967 -0.196 -5.495 1.00 0.00 H new ATOM 0 HD23 LEU A 641 -14.618 -1.738 -6.099 1.00 0.00 H new ATOM 475 N LYS A 642 -13.029 -4.768 -2.374 1.00 0.00 N ATOM 476 CA LYS A 642 -13.775 -5.987 -2.078 1.00 0.00 C ATOM 477 C LYS A 642 -15.201 -5.606 -1.682 1.00 0.00 C ATOM 478 O LYS A 642 -15.767 -6.200 -0.763 1.00 0.00 O ATOM 479 CB LYS A 642 -13.015 -6.775 -0.989 1.00 0.00 C ATOM 480 CG LYS A 642 -11.877 -7.645 -1.540 1.00 0.00 C ATOM 481 CD LYS A 642 -12.350 -8.979 -2.145 1.00 0.00 C ATOM 482 CE LYS A 642 -13.011 -9.921 -1.135 1.00 0.00 C ATOM 483 NZ LYS A 642 -12.130 -10.284 -0.007 1.00 0.00 N ATOM 0 H LYS A 642 -13.047 -4.102 -1.602 1.00 0.00 H new ATOM 0 HA LYS A 642 -13.855 -6.641 -2.946 1.00 0.00 H new ATOM 0 HB2 LYS A 642 -12.605 -6.072 -0.264 1.00 0.00 H new ATOM 0 HB3 LYS A 642 -13.720 -7.411 -0.454 1.00 0.00 H new ATOM 0 HG2 LYS A 642 -11.339 -7.082 -2.302 1.00 0.00 H new ATOM 0 HG3 LYS A 642 -11.169 -7.852 -0.737 1.00 0.00 H new ATOM 0 HD2 LYS A 642 -13.056 -8.771 -2.949 1.00 0.00 H new ATOM 0 HD3 LYS A 642 -11.496 -9.486 -2.594 1.00 0.00 H new ATOM 0 HE2 LYS A 642 -13.912 -9.448 -0.745 1.00 0.00 H new ATOM 0 HE3 LYS A 642 -13.324 -10.830 -1.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 642 -12.613 -10.975 0.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 642 -11.250 -10.701 -0.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 642 -11.905 -9.432 0.546 1.00 0.00 H new ATOM 497 N SER A 643 -15.747 -4.556 -2.303 1.00 0.00 N ATOM 498 CA SER A 643 -17.097 -4.119 -1.997 1.00 0.00 C ATOM 499 C SER A 643 -18.063 -5.213 -2.449 1.00 0.00 C ATOM 500 O SER A 643 -18.277 -5.390 -3.647 1.00 0.00 O ATOM 501 CB SER A 643 -17.404 -2.772 -2.651 1.00 0.00 C ATOM 502 OG SER A 643 -18.662 -2.352 -2.172 1.00 0.00 O ATOM 0 H SER A 643 -15.272 -4.001 -3.015 1.00 0.00 H new ATOM 0 HA SER A 643 -17.208 -3.963 -0.924 1.00 0.00 H new ATOM 0 HB2 SER A 643 -16.635 -2.040 -2.404 1.00 0.00 H new ATOM 0 HB3 SER A 643 -17.418 -2.866 -3.737 1.00 0.00 H new ATOM 0 HG SER A 643 -19.349 -2.548 -2.842 1.00 0.00 H new ATOM 508 N LEU A 644 -18.614 -5.975 -1.507 1.00 0.00 N ATOM 509 CA LEU A 644 -19.549 -7.041 -1.828 1.00 0.00 C ATOM 510 C LEU A 644 -20.928 -6.493 -2.188 1.00 0.00 C ATOM 511 O LEU A 644 -21.531 -7.005 -3.131 1.00 0.00 O ATOM 512 CB LEU A 644 -19.624 -8.097 -0.710 1.00 0.00 C ATOM 513 CG LEU A 644 -20.281 -7.722 0.637 1.00 0.00 C ATOM 514 CD1 LEU A 644 -20.372 -8.993 1.487 1.00 0.00 C ATOM 515 CD2 LEU A 644 -19.490 -6.667 1.424 1.00 0.00 C ATOM 0 H LEU A 644 -18.425 -5.870 -0.510 1.00 0.00 H new ATOM 0 HA LEU A 644 -19.165 -7.547 -2.714 1.00 0.00 H new ATOM 0 HB2 LEU A 644 -20.160 -8.959 -1.108 1.00 0.00 H new ATOM 0 HB3 LEU A 644 -18.606 -8.424 -0.499 1.00 0.00 H new ATOM 0 HG LEU A 644 -21.260 -7.294 0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 644 -20.833 -8.757 2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 644 -20.976 -9.736 0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 644 -19.371 -9.392 1.654 1.00 0.00 H new ATOM 0 HD21 LEU A 644 -20.005 -6.449 2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 644 -18.492 -7.047 1.640 1.00 0.00 H new ATOM 0 HD23 LEU A 644 -19.411 -5.755 0.832 1.00 0.00 H new ATOM 527 N ALA A 645 -21.402 -5.461 -1.478 1.00 0.00 N ATOM 528 CA ALA A 645 -22.709 -4.866 -1.698 1.00 0.00 C ATOM 529 C ALA A 645 -22.680 -3.761 -2.752 1.00 0.00 C ATOM 530 O ALA A 645 -23.183 -3.972 -3.853 1.00 0.00 O ATOM 531 CB ALA A 645 -23.286 -4.381 -0.362 1.00 0.00 C ATOM 0 H ALA A 645 -20.875 -5.016 -0.727 1.00 0.00 H new ATOM 0 HA ALA A 645 -23.369 -5.633 -2.103 1.00 0.00 H new ATOM 0 HB1 ALA A 645 -24.266 -3.935 -0.530 1.00 0.00 H new ATOM 0 HB2 ALA A 645 -23.383 -5.225 0.320 1.00 0.00 H new ATOM 0 HB3 ALA A 645 -22.619 -3.637 0.074 1.00 0.00 H new ATOM 537 N GLU A 646 -22.167 -2.569 -2.434 1.00 0.00 N ATOM 538 CA GLU A 646 -22.116 -1.451 -3.376 1.00 0.00 C ATOM 539 C GLU A 646 -21.077 -0.406 -2.950 1.00 0.00 C ATOM 540 O GLU A 646 -20.696 -0.333 -1.773 1.00 0.00 O ATOM 541 CB GLU A 646 -23.517 -0.811 -3.526 1.00 0.00 C ATOM 542 CG GLU A 646 -24.132 -0.293 -2.213 1.00 0.00 C ATOM 543 CD GLU A 646 -25.581 0.190 -2.355 1.00 0.00 C ATOM 544 OE1 GLU A 646 -26.048 0.466 -3.486 1.00 0.00 O ATOM 545 OE2 GLU A 646 -26.262 0.342 -1.314 1.00 0.00 O ATOM 0 H GLU A 646 -21.776 -2.354 -1.517 1.00 0.00 H new ATOM 0 HA GLU A 646 -21.807 -1.840 -4.346 1.00 0.00 H new ATOM 0 HB2 GLU A 646 -23.449 0.017 -4.231 1.00 0.00 H new ATOM 0 HB3 GLU A 646 -24.193 -1.547 -3.962 1.00 0.00 H new ATOM 0 HG2 GLU A 646 -24.095 -1.087 -1.468 1.00 0.00 H new ATOM 0 HG3 GLU A 646 -23.521 0.527 -1.835 1.00 0.00 H new ATOM 552 N LEU A 647 -20.572 0.362 -3.920 1.00 0.00 N ATOM 553 CA LEU A 647 -19.589 1.435 -3.771 1.00 0.00 C ATOM 554 C LEU A 647 -19.532 2.270 -5.062 1.00 0.00 C ATOM 555 O LEU A 647 -19.973 1.816 -6.122 1.00 0.00 O ATOM 556 CB LEU A 647 -18.188 0.854 -3.507 1.00 0.00 C ATOM 557 CG LEU A 647 -17.253 1.854 -2.794 1.00 0.00 C ATOM 558 CD1 LEU A 647 -16.908 1.339 -1.395 1.00 0.00 C ATOM 559 CD2 LEU A 647 -15.977 2.094 -3.599 1.00 0.00 C ATOM 0 H LEU A 647 -20.858 0.242 -4.892 1.00 0.00 H new ATOM 0 HA LEU A 647 -19.890 2.057 -2.928 1.00 0.00 H new ATOM 0 HB2 LEU A 647 -18.281 -0.046 -2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 647 -17.739 0.555 -4.454 1.00 0.00 H new ATOM 0 HG LEU A 647 -17.777 2.806 -2.708 1.00 0.00 H new ATOM 0 HD11 LEU A 647 -16.248 2.050 -0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 647 -17.823 1.225 -0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 647 -16.407 0.374 -1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 647 -15.341 2.803 -3.069 1.00 0.00 H new ATOM 0 HD22 LEU A 647 -15.444 1.152 -3.725 1.00 0.00 H new ATOM 0 HD23 LEU A 647 -16.235 2.499 -4.578 1.00 0.00 H new ATOM 571 N GLY A 648 -18.903 3.442 -5.002 1.00 0.00 N ATOM 572 CA GLY A 648 -18.706 4.388 -6.078 1.00 0.00 C ATOM 573 C GLY A 648 -18.581 5.755 -5.421 1.00 0.00 C ATOM 574 O GLY A 648 -19.333 6.027 -4.483 1.00 0.00 O ATOM 0 H GLY A 648 -18.490 3.772 -4.130 1.00 0.00 H new ATOM 0 HA2 GLY A 648 -17.810 4.147 -6.650 1.00 0.00 H new ATOM 0 HA3 GLY A 648 -19.544 4.366 -6.775 1.00 0.00 H new ATOM 578 N ASP A 649 -17.674 6.603 -5.901 1.00 0.00 N ATOM 579 CA ASP A 649 -17.441 7.951 -5.361 1.00 0.00 C ATOM 580 C ASP A 649 -17.102 7.912 -3.862 1.00 0.00 C ATOM 581 O ASP A 649 -17.654 8.653 -3.041 1.00 0.00 O ATOM 582 CB ASP A 649 -18.635 8.844 -5.712 1.00 0.00 C ATOM 583 CG ASP A 649 -18.443 10.301 -5.296 1.00 0.00 C ATOM 584 OD1 ASP A 649 -17.309 10.830 -5.381 1.00 0.00 O ATOM 585 OD2 ASP A 649 -19.459 10.930 -4.930 1.00 0.00 O ATOM 0 H ASP A 649 -17.068 6.374 -6.689 1.00 0.00 H new ATOM 0 HA ASP A 649 -16.560 8.392 -5.826 1.00 0.00 H new ATOM 0 HB2 ASP A 649 -18.809 8.800 -6.787 1.00 0.00 H new ATOM 0 HB3 ASP A 649 -19.529 8.450 -5.228 1.00 0.00 H new ATOM 590 N CYS A 650 -16.219 6.978 -3.491 1.00 0.00 N ATOM 591 CA CYS A 650 -15.756 6.769 -2.125 1.00 0.00 C ATOM 592 C CYS A 650 -14.614 7.722 -1.750 1.00 0.00 C ATOM 593 O CYS A 650 -14.677 8.369 -0.705 1.00 0.00 O ATOM 594 CB CYS A 650 -15.288 5.316 -1.985 1.00 0.00 C ATOM 595 SG CYS A 650 -14.432 4.965 -0.433 1.00 0.00 S ATOM 0 H CYS A 650 -15.798 6.330 -4.157 1.00 0.00 H new ATOM 0 HA CYS A 650 -16.583 6.976 -1.446 1.00 0.00 H new ATOM 0 HB2 CYS A 650 -16.152 4.657 -2.068 1.00 0.00 H new ATOM 0 HB3 CYS A 650 -14.624 5.077 -2.816 1.00 0.00 H new ATOM 600 N ASN A 651 -13.576 7.799 -2.585 1.00 0.00 N ATOM 601 CA ASN A 651 -12.356 8.605 -2.465 1.00 0.00 C ATOM 602 C ASN A 651 -11.300 8.000 -1.519 1.00 0.00 C ATOM 603 O ASN A 651 -10.448 8.716 -1.001 1.00 0.00 O ATOM 604 CB ASN A 651 -12.649 10.090 -2.175 1.00 0.00 C ATOM 605 CG ASN A 651 -11.441 10.957 -2.513 1.00 0.00 C ATOM 606 OD1 ASN A 651 -10.781 10.717 -3.528 1.00 0.00 O ATOM 607 ND2 ASN A 651 -11.142 11.968 -1.722 1.00 0.00 N ATOM 0 H ASN A 651 -13.566 7.248 -3.443 1.00 0.00 H new ATOM 0 HA ASN A 651 -11.895 8.575 -3.452 1.00 0.00 H new ATOM 0 HB2 ASN A 651 -13.510 10.416 -2.758 1.00 0.00 H new ATOM 0 HB3 ASN A 651 -12.909 10.215 -1.124 1.00 0.00 H new ATOM 0 HD21 ASN A 651 -10.350 12.572 -1.943 1.00 0.00 H new ATOM 0 HD22 ASN A 651 -11.702 12.147 -0.889 1.00 0.00 H new ATOM 614 N GLU A 652 -11.358 6.692 -1.270 1.00 0.00 N ATOM 615 CA GLU A 652 -10.428 5.975 -0.392 1.00 0.00 C ATOM 616 C GLU A 652 -9.013 5.862 -0.976 1.00 0.00 C ATOM 617 O GLU A 652 -8.771 6.163 -2.147 1.00 0.00 O ATOM 618 CB GLU A 652 -10.924 4.522 -0.221 1.00 0.00 C ATOM 619 CG GLU A 652 -11.197 4.015 1.199 1.00 0.00 C ATOM 620 CD GLU A 652 -10.388 4.615 2.347 1.00 0.00 C ATOM 621 OE1 GLU A 652 -9.143 4.590 2.283 1.00 0.00 O ATOM 622 OE2 GLU A 652 -10.978 4.925 3.406 1.00 0.00 O ATOM 0 H GLU A 652 -12.068 6.086 -1.681 1.00 0.00 H new ATOM 0 HA GLU A 652 -10.392 6.539 0.540 1.00 0.00 H new ATOM 0 HB2 GLU A 652 -11.843 4.414 -0.796 1.00 0.00 H new ATOM 0 HB3 GLU A 652 -10.185 3.862 -0.674 1.00 0.00 H new ATOM 0 HG2 GLU A 652 -12.253 4.179 1.414 1.00 0.00 H new ATOM 0 HG3 GLU A 652 -11.035 2.937 1.205 1.00 0.00 H new ATOM 629 N ASP A 653 -8.099 5.333 -0.164 1.00 0.00 N ATOM 630 CA ASP A 653 -6.716 5.066 -0.501 1.00 0.00 C ATOM 631 C ASP A 653 -6.679 3.637 -1.044 1.00 0.00 C ATOM 632 O ASP A 653 -7.136 2.708 -0.363 1.00 0.00 O ATOM 633 CB ASP A 653 -5.796 5.040 0.736 1.00 0.00 C ATOM 634 CG ASP A 653 -5.404 6.352 1.405 1.00 0.00 C ATOM 635 OD1 ASP A 653 -4.901 7.277 0.732 1.00 0.00 O ATOM 636 OD2 ASP A 653 -5.443 6.369 2.660 1.00 0.00 O ATOM 0 H ASP A 653 -8.323 5.068 0.795 1.00 0.00 H new ATOM 0 HA ASP A 653 -6.378 5.842 -1.188 1.00 0.00 H new ATOM 0 HB2 ASP A 653 -6.280 4.420 1.491 1.00 0.00 H new ATOM 0 HB3 ASP A 653 -4.876 4.532 0.448 1.00 0.00 H new ATOM 641 N LEU A 654 -6.114 3.429 -2.238 1.00 0.00 N ATOM 642 CA LEU A 654 -5.986 2.098 -2.847 1.00 0.00 C ATOM 643 C LEU A 654 -4.511 1.669 -2.932 1.00 0.00 C ATOM 644 O LEU A 654 -4.234 0.492 -3.171 1.00 0.00 O ATOM 645 CB LEU A 654 -6.652 2.019 -4.231 1.00 0.00 C ATOM 646 CG LEU A 654 -8.131 1.585 -4.236 1.00 0.00 C ATOM 647 CD1 LEU A 654 -8.579 1.486 -5.696 1.00 0.00 C ATOM 648 CD2 LEU A 654 -8.415 0.231 -3.565 1.00 0.00 C ATOM 0 H LEU A 654 -5.731 4.180 -2.812 1.00 0.00 H new ATOM 0 HA LEU A 654 -6.515 1.403 -2.195 1.00 0.00 H new ATOM 0 HB2 LEU A 654 -6.578 2.997 -4.706 1.00 0.00 H new ATOM 0 HB3 LEU A 654 -6.085 1.321 -4.847 1.00 0.00 H new ATOM 0 HG LEU A 654 -8.674 2.332 -3.657 1.00 0.00 H new ATOM 0 HD11 LEU A 654 -9.624 1.180 -5.736 1.00 0.00 H new ATOM 0 HD12 LEU A 654 -8.467 2.457 -6.178 1.00 0.00 H new ATOM 0 HD13 LEU A 654 -7.966 0.750 -6.216 1.00 0.00 H new ATOM 0 HD21 LEU A 654 -9.482 0.015 -3.620 1.00 0.00 H new ATOM 0 HD22 LEU A 654 -7.859 -0.553 -4.078 1.00 0.00 H new ATOM 0 HD23 LEU A 654 -8.106 0.271 -2.520 1.00 0.00 H new ATOM 660 N GLU A 655 -3.573 2.601 -2.749 1.00 0.00 N ATOM 661 CA GLU A 655 -2.120 2.421 -2.752 1.00 0.00 C ATOM 662 C GLU A 655 -1.556 3.347 -1.660 1.00 0.00 C ATOM 663 O GLU A 655 -2.170 4.375 -1.363 1.00 0.00 O ATOM 664 CB GLU A 655 -1.512 2.690 -4.149 1.00 0.00 C ATOM 665 CG GLU A 655 0.005 2.968 -4.072 1.00 0.00 C ATOM 666 CD GLU A 655 0.778 2.953 -5.393 1.00 0.00 C ATOM 667 OE1 GLU A 655 0.359 2.330 -6.393 1.00 0.00 O ATOM 668 OE2 GLU A 655 1.862 3.581 -5.414 1.00 0.00 O ATOM 0 H GLU A 655 -3.829 3.574 -2.582 1.00 0.00 H new ATOM 0 HA GLU A 655 -1.852 1.388 -2.532 1.00 0.00 H new ATOM 0 HB2 GLU A 655 -1.691 1.830 -4.795 1.00 0.00 H new ATOM 0 HB3 GLU A 655 -2.015 3.542 -4.606 1.00 0.00 H new ATOM 0 HG2 GLU A 655 0.148 3.943 -3.606 1.00 0.00 H new ATOM 0 HG3 GLU A 655 0.453 2.228 -3.408 1.00 0.00 H new ATOM 675 N GLN A 656 -0.407 2.986 -1.078 1.00 0.00 N ATOM 676 CA GLN A 656 0.328 3.694 -0.033 1.00 0.00 C ATOM 677 C GLN A 656 1.821 3.758 -0.380 1.00 0.00 C ATOM 678 O GLN A 656 2.260 3.199 -1.388 1.00 0.00 O ATOM 679 CB GLN A 656 0.118 2.972 1.314 1.00 0.00 C ATOM 680 CG GLN A 656 -1.309 3.137 1.842 1.00 0.00 C ATOM 681 CD GLN A 656 -1.616 4.509 2.428 1.00 0.00 C ATOM 682 OE1 GLN A 656 -0.849 5.459 2.289 1.00 0.00 O ATOM 683 NE2 GLN A 656 -2.747 4.646 3.097 1.00 0.00 N ATOM 0 H GLN A 656 0.067 2.124 -1.349 1.00 0.00 H new ATOM 0 HA GLN A 656 -0.046 4.715 0.044 1.00 0.00 H new ATOM 0 HB2 GLN A 656 0.339 1.911 1.194 1.00 0.00 H new ATOM 0 HB3 GLN A 656 0.823 3.363 2.048 1.00 0.00 H new ATOM 0 HG2 GLN A 656 -2.008 2.940 1.029 1.00 0.00 H new ATOM 0 HG3 GLN A 656 -1.488 2.382 2.607 1.00 0.00 H new ATOM 0 HE21 GLN A 656 -3.375 3.850 3.205 1.00 0.00 H new ATOM 0 HE22 GLN A 656 -2.992 5.548 3.505 1.00 0.00 H new ATOM 692 N ALA A 657 2.610 4.443 0.452 1.00 0.00 N ATOM 693 CA ALA A 657 4.056 4.627 0.331 1.00 0.00 C ATOM 694 C ALA A 657 4.690 4.700 1.723 1.00 0.00 C ATOM 695 O ALA A 657 4.089 5.269 2.636 1.00 0.00 O ATOM 696 CB ALA A 657 4.366 5.921 -0.421 1.00 0.00 C ATOM 0 H ALA A 657 2.233 4.911 1.276 1.00 0.00 H new ATOM 0 HA ALA A 657 4.466 3.780 -0.220 1.00 0.00 H new ATOM 0 HB1 ALA A 657 5.446 6.044 -0.503 1.00 0.00 H new ATOM 0 HB2 ALA A 657 3.929 5.876 -1.419 1.00 0.00 H new ATOM 0 HB3 ALA A 657 3.944 6.767 0.122 1.00 0.00 H new ATOM 702 N GLU A 658 5.895 4.153 1.886 1.00 0.00 N ATOM 703 CA GLU A 658 6.642 4.129 3.143 1.00 0.00 C ATOM 704 C GLU A 658 8.136 4.180 2.823 1.00 0.00 C ATOM 705 O GLU A 658 8.566 3.721 1.758 1.00 0.00 O ATOM 706 CB GLU A 658 6.303 2.831 3.905 1.00 0.00 C ATOM 707 CG GLU A 658 6.900 2.702 5.312 1.00 0.00 C ATOM 708 CD GLU A 658 6.612 1.348 5.951 1.00 0.00 C ATOM 709 OE1 GLU A 658 5.468 1.117 6.410 1.00 0.00 O ATOM 710 OE2 GLU A 658 7.550 0.536 6.060 1.00 0.00 O ATOM 0 H GLU A 658 6.394 3.699 1.121 1.00 0.00 H new ATOM 0 HA GLU A 658 6.375 4.984 3.764 1.00 0.00 H new ATOM 0 HB2 GLU A 658 5.219 2.752 3.983 1.00 0.00 H new ATOM 0 HB3 GLU A 658 6.642 1.984 3.309 1.00 0.00 H new ATOM 0 HG2 GLU A 658 7.978 2.853 5.260 1.00 0.00 H new ATOM 0 HG3 GLU A 658 6.498 3.492 5.947 1.00 0.00 H new ATOM 717 N LYS A 659 8.933 4.756 3.726 1.00 0.00 N ATOM 718 CA LYS A 659 10.375 4.841 3.556 1.00 0.00 C ATOM 719 C LYS A 659 10.967 3.444 3.697 1.00 0.00 C ATOM 720 O LYS A 659 10.381 2.567 4.339 1.00 0.00 O ATOM 721 CB LYS A 659 10.997 5.799 4.587 1.00 0.00 C ATOM 722 CG LYS A 659 10.748 7.276 4.248 1.00 0.00 C ATOM 723 CD LYS A 659 9.378 7.844 4.631 1.00 0.00 C ATOM 724 CE LYS A 659 9.289 8.052 6.143 1.00 0.00 C ATOM 725 NZ LYS A 659 7.932 8.452 6.544 1.00 0.00 N ATOM 0 H LYS A 659 8.592 5.174 4.592 1.00 0.00 H new ATOM 0 HA LYS A 659 10.599 5.238 2.566 1.00 0.00 H new ATOM 0 HB2 LYS A 659 10.586 5.582 5.573 1.00 0.00 H new ATOM 0 HB3 LYS A 659 12.071 5.619 4.643 1.00 0.00 H new ATOM 0 HG2 LYS A 659 11.515 7.873 4.741 1.00 0.00 H new ATOM 0 HG3 LYS A 659 10.884 7.407 3.174 1.00 0.00 H new ATOM 0 HD2 LYS A 659 9.214 8.791 4.117 1.00 0.00 H new ATOM 0 HD3 LYS A 659 8.591 7.164 4.304 1.00 0.00 H new ATOM 0 HE2 LYS A 659 9.567 7.132 6.657 1.00 0.00 H new ATOM 0 HE3 LYS A 659 10.003 8.816 6.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 659 7.900 8.586 7.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 659 7.679 9.343 6.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 659 7.256 7.710 6.271 1.00 0.00 H new ATOM 739 N CYS A 660 12.123 3.240 3.079 1.00 0.00 N ATOM 740 CA CYS A 660 12.850 1.987 3.107 1.00 0.00 C ATOM 741 C CYS A 660 14.328 2.302 2.895 1.00 0.00 C ATOM 742 O CYS A 660 14.665 3.331 2.310 1.00 0.00 O ATOM 743 CB CYS A 660 12.285 1.112 1.982 1.00 0.00 C ATOM 744 SG CYS A 660 13.161 -0.420 1.625 1.00 0.00 S ATOM 0 H CYS A 660 12.589 3.963 2.531 1.00 0.00 H new ATOM 0 HA CYS A 660 12.746 1.456 4.053 1.00 0.00 H new ATOM 0 HB2 CYS A 660 11.253 0.863 2.231 1.00 0.00 H new ATOM 0 HB3 CYS A 660 12.258 1.708 1.070 1.00 0.00 H new ATOM 749 N MET A 661 15.235 1.458 3.374 1.00 0.00 N ATOM 750 CA MET A 661 16.666 1.646 3.190 1.00 0.00 C ATOM 751 C MET A 661 17.268 0.263 3.091 1.00 0.00 C ATOM 752 O MET A 661 17.283 -0.491 4.069 1.00 0.00 O ATOM 753 CB MET A 661 17.355 2.417 4.313 1.00 0.00 C ATOM 754 CG MET A 661 16.684 3.743 4.678 1.00 0.00 C ATOM 755 SD MET A 661 17.725 4.913 5.581 1.00 0.00 S ATOM 756 CE MET A 661 18.364 3.809 6.869 1.00 0.00 C ATOM 0 H MET A 661 14.995 0.620 3.904 1.00 0.00 H new ATOM 0 HA MET A 661 16.816 2.251 2.296 1.00 0.00 H new ATOM 0 HB2 MET A 661 17.390 1.786 5.201 1.00 0.00 H new ATOM 0 HB3 MET A 661 18.386 2.615 4.021 1.00 0.00 H new ATOM 0 HG2 MET A 661 16.339 4.221 3.761 1.00 0.00 H new ATOM 0 HG3 MET A 661 15.800 3.530 5.279 1.00 0.00 H new ATOM 0 HE1 MET A 661 18.823 4.401 7.661 1.00 0.00 H new ATOM 0 HE2 MET A 661 17.545 3.221 7.284 1.00 0.00 H new ATOM 0 HE3 MET A 661 19.109 3.140 6.438 1.00 0.00 H new ATOM 766 N LEU A 662 17.643 -0.106 1.881 1.00 0.00 N ATOM 767 CA LEU A 662 18.256 -1.386 1.602 1.00 0.00 C ATOM 768 C LEU A 662 19.671 -1.378 2.187 1.00 0.00 C ATOM 769 O LEU A 662 20.174 -0.304 2.550 1.00 0.00 O ATOM 770 CB LEU A 662 18.390 -1.530 0.069 1.00 0.00 C ATOM 771 CG LEU A 662 17.209 -2.043 -0.753 1.00 0.00 C ATOM 772 CD1 LEU A 662 16.948 -3.527 -0.528 1.00 0.00 C ATOM 773 CD2 LEU A 662 15.945 -1.236 -0.507 1.00 0.00 C ATOM 0 H LEU A 662 17.528 0.483 1.056 1.00 0.00 H new ATOM 0 HA LEU A 662 17.660 -2.195 2.025 1.00 0.00 H new ATOM 0 HB2 LEU A 662 18.660 -0.551 -0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 662 19.232 -2.195 -0.122 1.00 0.00 H new ATOM 0 HG LEU A 662 17.492 -1.911 -1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 662 16.099 -3.843 -1.134 1.00 0.00 H new ATOM 0 HD12 LEU A 662 17.831 -4.099 -0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 662 16.727 -3.702 0.525 1.00 0.00 H new ATOM 0 HD21 LEU A 662 15.133 -1.638 -1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 662 15.675 -1.296 0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 662 16.119 -0.195 -0.779 1.00 0.00 H new ATOM 785 N PRO A 663 20.337 -2.540 2.274 1.00 0.00 N ATOM 786 CA PRO A 663 21.704 -2.589 2.758 1.00 0.00 C ATOM 787 C PRO A 663 22.596 -1.915 1.694 1.00 0.00 C ATOM 788 O PRO A 663 22.121 -1.390 0.679 1.00 0.00 O ATOM 789 CB PRO A 663 22.013 -4.084 2.926 1.00 0.00 C ATOM 790 CG PRO A 663 21.113 -4.758 1.893 1.00 0.00 C ATOM 791 CD PRO A 663 19.870 -3.873 1.903 1.00 0.00 C ATOM 0 HA PRO A 663 21.872 -2.070 3.701 1.00 0.00 H new ATOM 0 HB2 PRO A 663 23.066 -4.299 2.741 1.00 0.00 H new ATOM 0 HB3 PRO A 663 21.790 -4.428 3.936 1.00 0.00 H new ATOM 0 HG2 PRO A 663 21.580 -4.790 0.908 1.00 0.00 H new ATOM 0 HG3 PRO A 663 20.880 -5.787 2.168 1.00 0.00 H new ATOM 0 HD2 PRO A 663 19.390 -3.861 0.925 1.00 0.00 H new ATOM 0 HD3 PRO A 663 19.132 -4.242 2.616 1.00 0.00 H new ATOM 799 N GLU A 664 23.896 -1.847 1.950 1.00 0.00 N ATOM 800 CA GLU A 664 24.842 -1.267 1.007 1.00 0.00 C ATOM 801 C GLU A 664 24.835 -2.129 -0.260 1.00 0.00 C ATOM 802 O GLU A 664 24.497 -3.316 -0.218 1.00 0.00 O ATOM 803 CB GLU A 664 26.240 -1.131 1.628 1.00 0.00 C ATOM 804 CG GLU A 664 26.782 -2.409 2.286 1.00 0.00 C ATOM 805 CD GLU A 664 26.355 -2.547 3.749 1.00 0.00 C ATOM 806 OE1 GLU A 664 25.284 -3.141 4.015 1.00 0.00 O ATOM 807 OE2 GLU A 664 27.072 -2.065 4.658 1.00 0.00 O ATOM 0 H GLU A 664 24.322 -2.190 2.811 1.00 0.00 H new ATOM 0 HA GLU A 664 24.544 -0.252 0.745 1.00 0.00 H new ATOM 0 HB2 GLU A 664 26.937 -0.815 0.852 1.00 0.00 H new ATOM 0 HB3 GLU A 664 26.214 -0.338 2.375 1.00 0.00 H new ATOM 0 HG2 GLU A 664 26.433 -3.277 1.727 1.00 0.00 H new ATOM 0 HG3 GLU A 664 27.870 -2.409 2.228 1.00 0.00 H new ATOM 814 N CYS A 665 25.205 -1.524 -1.384 1.00 0.00 N ATOM 815 CA CYS A 665 25.242 -2.185 -2.684 1.00 0.00 C ATOM 816 C CYS A 665 26.075 -3.471 -2.650 1.00 0.00 C ATOM 817 O CYS A 665 27.278 -3.393 -2.373 1.00 0.00 O ATOM 818 CB CYS A 665 25.736 -1.205 -3.747 1.00 0.00 C ATOM 819 SG CYS A 665 24.746 0.311 -3.909 1.00 0.00 S ATOM 0 H CYS A 665 25.492 -0.546 -1.418 1.00 0.00 H new ATOM 0 HA CYS A 665 24.230 -2.492 -2.946 1.00 0.00 H new ATOM 0 HB2 CYS A 665 26.764 -0.927 -3.515 1.00 0.00 H new ATOM 0 HB3 CYS A 665 25.754 -1.715 -4.710 1.00 0.00 H new ATOM 824 N PRO A 666 25.471 -4.644 -2.920 1.00 0.00 N ATOM 825 CA PRO A 666 26.182 -5.911 -2.924 1.00 0.00 C ATOM 826 C PRO A 666 27.113 -6.003 -4.134 1.00 0.00 C ATOM 827 O PRO A 666 28.007 -6.875 -4.108 1.00 0.00 O ATOM 828 CB PRO A 666 25.093 -6.990 -2.949 1.00 0.00 C ATOM 829 CG PRO A 666 23.940 -6.319 -3.682 1.00 0.00 C ATOM 830 CD PRO A 666 24.065 -4.860 -3.249 1.00 0.00 C ATOM 0 HA PRO A 666 26.823 -6.028 -2.051 1.00 0.00 H new ATOM 0 HB2 PRO A 666 25.430 -7.887 -3.468 1.00 0.00 H new ATOM 0 HB3 PRO A 666 24.806 -7.293 -1.942 1.00 0.00 H new ATOM 0 HG2 PRO A 666 24.029 -6.429 -4.763 1.00 0.00 H new ATOM 0 HG3 PRO A 666 22.978 -6.744 -3.397 1.00 0.00 H new ATOM 0 HD2 PRO A 666 23.746 -4.190 -4.047 1.00 0.00 H new ATOM 0 HD3 PRO A 666 23.429 -4.655 -2.388 1.00 0.00 H new