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 180:sc= 0 USER MOD Single : A 621 SER OG : rot 103:sc= 1.22 USER MOD Single : A 624 SER OG : rot -93:sc= 0.795 USER MOD Single : A 627 SER OG : rot 180:sc= 0 USER MOD Single : A 629 THR OG1 : rot 180:sc= 0 USER MOD Single : A 632 LYS NZ :NH3+ 166:sc= -0.0221 (180deg=-0.177) USER MOD Single : A 634 MET CE :methyl -169:sc= -0.729 (180deg=-0.936) USER MOD Single : A 636 THR OG1 : rot 180:sc= 0 USER MOD Single : A 638 GLN : amide:sc= 0.202 X(o=0.2,f=0) USER MOD Single : A 640 MET CE :methyl 166:sc=-0.00262 (180deg=-0.214) USER MOD Single : A 642 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 643 SER OG : rot 110:sc= 0.166 USER MOD Single : A 651 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 656 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 659 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 661 MET CE :methyl 167:sc= -0.0553 (180deg=-0.297) USER MOD ----------------------------------------------------------------- ATOM 38 N PRO A 614 -19.079 1.861 7.339 1.00 0.00 N ATOM 39 CA PRO A 614 -17.638 1.744 7.274 1.00 0.00 C ATOM 40 C PRO A 614 -17.221 1.677 5.799 1.00 0.00 C ATOM 41 O PRO A 614 -18.040 1.389 4.917 1.00 0.00 O ATOM 42 CB PRO A 614 -17.323 0.411 7.960 1.00 0.00 C ATOM 43 CG PRO A 614 -18.546 -0.437 7.626 1.00 0.00 C ATOM 44 CD PRO A 614 -19.674 0.586 7.717 1.00 0.00 C ATOM 0 HA PRO A 614 -17.118 2.579 7.744 1.00 0.00 H new ATOM 0 HB2 PRO A 614 -16.405 -0.034 7.577 1.00 0.00 H new ATOM 0 HB3 PRO A 614 -17.195 0.530 9.036 1.00 0.00 H new ATOM 0 HG2 PRO A 614 -18.476 -0.881 6.633 1.00 0.00 H new ATOM 0 HG3 PRO A 614 -18.680 -1.256 8.332 1.00 0.00 H new ATOM 0 HD2 PRO A 614 -20.495 0.324 7.050 1.00 0.00 H new ATOM 0 HD3 PRO A 614 -20.084 0.629 8.726 1.00 0.00 H new ATOM 52 N CYS A 615 -15.937 1.913 5.520 1.00 0.00 N ATOM 53 CA CYS A 615 -15.443 1.835 4.156 1.00 0.00 C ATOM 54 C CYS A 615 -15.385 0.343 3.834 1.00 0.00 C ATOM 55 O CYS A 615 -14.506 -0.351 4.360 1.00 0.00 O ATOM 56 CB CYS A 615 -14.059 2.481 4.023 1.00 0.00 C ATOM 57 SG CYS A 615 -13.898 4.124 4.752 1.00 0.00 S ATOM 0 H CYS A 615 -15.232 2.157 6.216 1.00 0.00 H new ATOM 0 HA CYS A 615 -16.090 2.375 3.465 1.00 0.00 H new ATOM 0 HB2 CYS A 615 -13.324 1.823 4.486 1.00 0.00 H new ATOM 0 HB3 CYS A 615 -13.807 2.546 2.964 1.00 0.00 H new ATOM 62 N LEU A 616 -16.320 -0.173 3.029 1.00 0.00 N ATOM 63 CA LEU A 616 -16.327 -1.585 2.674 1.00 0.00 C ATOM 64 C LEU A 616 -15.202 -1.829 1.677 1.00 0.00 C ATOM 65 O LEU A 616 -15.353 -1.673 0.465 1.00 0.00 O ATOM 66 CB LEU A 616 -17.702 -2.057 2.178 1.00 0.00 C ATOM 67 CG LEU A 616 -17.868 -3.592 2.140 1.00 0.00 C ATOM 68 CD1 LEU A 616 -17.143 -4.288 0.989 1.00 0.00 C ATOM 69 CD2 LEU A 616 -17.438 -4.272 3.448 1.00 0.00 C ATOM 0 H LEU A 616 -17.078 0.370 2.615 1.00 0.00 H new ATOM 0 HA LEU A 616 -16.144 -2.192 3.561 1.00 0.00 H new ATOM 0 HB2 LEU A 616 -18.473 -1.635 2.823 1.00 0.00 H new ATOM 0 HB3 LEU A 616 -17.871 -1.660 1.177 1.00 0.00 H new ATOM 0 HG LEU A 616 -18.941 -3.711 1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 616 -17.318 -5.362 1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 616 -17.520 -3.909 0.039 1.00 0.00 H new ATOM 0 HD13 LEU A 616 -16.073 -4.090 1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 616 -17.578 -5.350 3.361 1.00 0.00 H new ATOM 0 HD22 LEU A 616 -16.387 -4.057 3.642 1.00 0.00 H new ATOM 0 HD23 LEU A 616 -18.044 -3.893 4.271 1.00 0.00 H new ATOM 81 N LEU A 617 -14.052 -2.201 2.217 1.00 0.00 N ATOM 82 CA LEU A 617 -12.821 -2.482 1.509 1.00 0.00 C ATOM 83 C LEU A 617 -12.270 -3.791 2.085 1.00 0.00 C ATOM 84 O LEU A 617 -12.907 -4.448 2.908 1.00 0.00 O ATOM 85 CB LEU A 617 -11.823 -1.321 1.723 1.00 0.00 C ATOM 86 CG LEU A 617 -12.357 0.125 1.576 1.00 0.00 C ATOM 87 CD1 LEU A 617 -11.332 1.082 2.172 1.00 0.00 C ATOM 88 CD2 LEU A 617 -12.685 0.573 0.148 1.00 0.00 C ATOM 0 H LEU A 617 -13.951 -2.321 3.225 1.00 0.00 H new ATOM 0 HA LEU A 617 -12.986 -2.579 0.436 1.00 0.00 H new ATOM 0 HB2 LEU A 617 -11.401 -1.422 2.723 1.00 0.00 H new ATOM 0 HB3 LEU A 617 -11.003 -1.449 1.016 1.00 0.00 H new ATOM 0 HG LEU A 617 -13.310 0.141 2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 617 -11.692 2.106 2.077 1.00 0.00 H new ATOM 0 HD12 LEU A 617 -11.183 0.846 3.226 1.00 0.00 H new ATOM 0 HD13 LEU A 617 -10.386 0.979 1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 617 -13.050 1.600 0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 617 -11.786 0.517 -0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 617 -13.452 -0.078 -0.271 1.00 0.00 H new ATOM 100 N SER A 618 -11.103 -4.206 1.616 1.00 0.00 N ATOM 101 CA SER A 618 -10.400 -5.403 2.054 1.00 0.00 C ATOM 102 C SER A 618 -9.170 -4.919 2.820 1.00 0.00 C ATOM 103 O SER A 618 -8.800 -3.743 2.685 1.00 0.00 O ATOM 104 CB SER A 618 -9.976 -6.245 0.830 1.00 0.00 C ATOM 105 OG SER A 618 -8.985 -5.594 0.052 1.00 0.00 O ATOM 0 H SER A 618 -10.599 -3.697 0.890 1.00 0.00 H new ATOM 0 HA SER A 618 -11.032 -6.032 2.681 1.00 0.00 H new ATOM 0 HB2 SER A 618 -9.596 -7.209 1.168 1.00 0.00 H new ATOM 0 HB3 SER A 618 -10.849 -6.447 0.209 1.00 0.00 H new ATOM 0 HG SER A 618 -8.744 -6.160 -0.711 1.00 0.00 H new ATOM 111 N PRO A 619 -8.515 -5.786 3.602 1.00 0.00 N ATOM 112 CA PRO A 619 -7.316 -5.375 4.293 1.00 0.00 C ATOM 113 C PRO A 619 -6.253 -5.152 3.213 1.00 0.00 C ATOM 114 O PRO A 619 -6.320 -5.729 2.121 1.00 0.00 O ATOM 115 CB PRO A 619 -6.970 -6.522 5.245 1.00 0.00 C ATOM 116 CG PRO A 619 -7.581 -7.745 4.565 1.00 0.00 C ATOM 117 CD PRO A 619 -8.818 -7.178 3.878 1.00 0.00 C ATOM 0 HA PRO A 619 -7.409 -4.457 4.873 1.00 0.00 H new ATOM 0 HB2 PRO A 619 -5.892 -6.629 5.370 1.00 0.00 H new ATOM 0 HB3 PRO A 619 -7.392 -6.362 6.237 1.00 0.00 H new ATOM 0 HG2 PRO A 619 -6.893 -8.194 3.849 1.00 0.00 H new ATOM 0 HG3 PRO A 619 -7.840 -8.520 5.287 1.00 0.00 H new ATOM 0 HD2 PRO A 619 -9.037 -7.720 2.958 1.00 0.00 H new ATOM 0 HD3 PRO A 619 -9.696 -7.268 4.518 1.00 0.00 H new ATOM 125 N TRP A 620 -5.297 -4.276 3.501 1.00 0.00 N ATOM 126 CA TRP A 620 -4.225 -3.994 2.567 1.00 0.00 C ATOM 127 C TRP A 620 -3.318 -5.219 2.500 1.00 0.00 C ATOM 128 O TRP A 620 -3.083 -5.867 3.528 1.00 0.00 O ATOM 129 CB TRP A 620 -3.451 -2.784 3.070 1.00 0.00 C ATOM 130 CG TRP A 620 -4.129 -1.474 2.865 1.00 0.00 C ATOM 131 CD1 TRP A 620 -4.981 -0.868 3.717 1.00 0.00 C ATOM 132 CD2 TRP A 620 -4.002 -0.587 1.728 1.00 0.00 C ATOM 133 NE1 TRP A 620 -5.410 0.329 3.176 1.00 0.00 N ATOM 134 CE2 TRP A 620 -4.827 0.554 1.950 1.00 0.00 C ATOM 135 CE3 TRP A 620 -3.260 -0.640 0.534 1.00 0.00 C ATOM 136 CZ2 TRP A 620 -4.918 1.594 1.020 1.00 0.00 C ATOM 137 CZ3 TRP A 620 -3.350 0.397 -0.401 1.00 0.00 C ATOM 138 CH2 TRP A 620 -4.185 1.501 -0.172 1.00 0.00 C ATOM 0 H TRP A 620 -5.247 -3.752 4.374 1.00 0.00 H new ATOM 0 HA TRP A 620 -4.614 -3.778 1.572 1.00 0.00 H new ATOM 0 HB2 TRP A 620 -3.257 -2.913 4.135 1.00 0.00 H new ATOM 0 HB3 TRP A 620 -2.483 -2.757 2.570 1.00 0.00 H new ATOM 0 HD1 TRP A 620 -5.283 -1.259 4.677 1.00 0.00 H new ATOM 0 HE1 TRP A 620 -6.071 0.962 3.626 1.00 0.00 H new ATOM 0 HE3 TRP A 620 -2.617 -1.486 0.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 620 -5.542 2.454 1.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 620 -2.769 0.347 -1.310 1.00 0.00 H new ATOM 0 HH2 TRP A 620 -4.263 2.281 -0.915 1.00 0.00 H new ATOM 149 N SER A 621 -2.802 -5.526 1.310 1.00 0.00 N ATOM 150 CA SER A 621 -1.910 -6.662 1.148 1.00 0.00 C ATOM 151 C SER A 621 -0.623 -6.409 1.939 1.00 0.00 C ATOM 152 O SER A 621 -0.329 -5.272 2.317 1.00 0.00 O ATOM 153 CB SER A 621 -1.605 -6.888 -0.333 1.00 0.00 C ATOM 154 OG SER A 621 -2.786 -6.864 -1.126 1.00 0.00 O ATOM 0 H SER A 621 -2.988 -5.005 0.453 1.00 0.00 H new ATOM 0 HA SER A 621 -2.390 -7.562 1.532 1.00 0.00 H new ATOM 0 HB2 SER A 621 -0.916 -6.119 -0.684 1.00 0.00 H new ATOM 0 HB3 SER A 621 -1.103 -7.847 -0.458 1.00 0.00 H new ATOM 0 HG SER A 621 -2.851 -6.003 -1.590 1.00 0.00 H new ATOM 160 N GLU A 622 0.138 -7.465 2.227 1.00 0.00 N ATOM 161 CA GLU A 622 1.380 -7.303 2.969 1.00 0.00 C ATOM 162 C GLU A 622 2.397 -6.482 2.174 1.00 0.00 C ATOM 163 O GLU A 622 2.373 -6.453 0.940 1.00 0.00 O ATOM 164 CB GLU A 622 1.956 -8.664 3.385 1.00 0.00 C ATOM 165 CG GLU A 622 2.363 -9.597 2.233 1.00 0.00 C ATOM 166 CD GLU A 622 2.635 -11.005 2.768 1.00 0.00 C ATOM 167 OE1 GLU A 622 3.686 -11.232 3.409 1.00 0.00 O ATOM 168 OE2 GLU A 622 1.755 -11.885 2.636 1.00 0.00 O ATOM 0 H GLU A 622 -0.082 -8.425 1.961 1.00 0.00 H new ATOM 0 HA GLU A 622 1.155 -6.749 3.880 1.00 0.00 H new ATOM 0 HB2 GLU A 622 2.829 -8.491 4.014 1.00 0.00 H new ATOM 0 HB3 GLU A 622 1.217 -9.178 4.000 1.00 0.00 H new ATOM 0 HG2 GLU A 622 1.571 -9.631 1.485 1.00 0.00 H new ATOM 0 HG3 GLU A 622 3.253 -9.209 1.738 1.00 0.00 H new ATOM 175 N TRP A 623 3.252 -5.769 2.902 1.00 0.00 N ATOM 176 CA TRP A 623 4.319 -4.953 2.361 1.00 0.00 C ATOM 177 C TRP A 623 5.479 -5.875 1.943 1.00 0.00 C ATOM 178 O TRP A 623 5.497 -7.077 2.227 1.00 0.00 O ATOM 179 CB TRP A 623 4.855 -4.050 3.492 1.00 0.00 C ATOM 180 CG TRP A 623 4.095 -2.813 3.850 1.00 0.00 C ATOM 181 CD1 TRP A 623 3.516 -2.521 5.039 1.00 0.00 C ATOM 182 CD2 TRP A 623 3.998 -1.594 3.066 1.00 0.00 C ATOM 183 NE1 TRP A 623 3.045 -1.223 5.028 1.00 0.00 N ATOM 184 CE2 TRP A 623 3.291 -0.615 3.820 1.00 0.00 C ATOM 185 CE3 TRP A 623 4.495 -1.205 1.809 1.00 0.00 C ATOM 186 CZ2 TRP A 623 3.004 0.658 3.311 1.00 0.00 C ATOM 187 CZ3 TRP A 623 4.269 0.092 1.330 1.00 0.00 C ATOM 188 CH2 TRP A 623 3.485 1.006 2.042 1.00 0.00 C ATOM 0 H TRP A 623 3.214 -5.747 3.921 1.00 0.00 H new ATOM 0 HA TRP A 623 3.951 -4.369 1.517 1.00 0.00 H new ATOM 0 HB2 TRP A 623 4.934 -4.660 4.392 1.00 0.00 H new ATOM 0 HB3 TRP A 623 5.867 -3.748 3.222 1.00 0.00 H new ATOM 0 HD1 TRP A 623 3.435 -3.203 5.873 1.00 0.00 H new ATOM 0 HE1 TRP A 623 2.575 -0.774 5.814 1.00 0.00 H new ATOM 0 HE3 TRP A 623 5.053 -1.909 1.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 623 2.421 1.360 3.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 623 4.710 0.393 0.391 1.00 0.00 H new ATOM 0 HH2 TRP A 623 3.253 1.971 1.617 1.00 0.00 H new ATOM 199 N SER A 624 6.471 -5.293 1.277 1.00 0.00 N ATOM 200 CA SER A 624 7.696 -5.954 0.863 1.00 0.00 C ATOM 201 C SER A 624 8.828 -5.096 1.417 1.00 0.00 C ATOM 202 O SER A 624 8.588 -4.112 2.123 1.00 0.00 O ATOM 203 CB SER A 624 7.776 -6.202 -0.651 1.00 0.00 C ATOM 204 OG SER A 624 8.757 -7.202 -0.936 1.00 0.00 O ATOM 0 H SER A 624 6.439 -4.311 1.002 1.00 0.00 H new ATOM 0 HA SER A 624 7.754 -6.967 1.262 1.00 0.00 H new ATOM 0 HB2 SER A 624 6.803 -6.519 -1.027 1.00 0.00 H new ATOM 0 HB3 SER A 624 8.030 -5.275 -1.166 1.00 0.00 H new ATOM 0 HG SER A 624 9.616 -6.772 -1.130 1.00 0.00 H new ATOM 210 N ASP A 625 10.053 -5.531 1.158 1.00 0.00 N ATOM 211 CA ASP A 625 11.324 -4.935 1.522 1.00 0.00 C ATOM 212 C ASP A 625 11.329 -3.486 1.038 1.00 0.00 C ATOM 213 O ASP A 625 10.891 -2.609 1.780 1.00 0.00 O ATOM 214 CB ASP A 625 12.482 -5.811 0.990 1.00 0.00 C ATOM 215 CG ASP A 625 12.514 -6.004 -0.531 1.00 0.00 C ATOM 216 OD1 ASP A 625 11.435 -6.238 -1.134 1.00 0.00 O ATOM 217 OD2 ASP A 625 13.602 -5.817 -1.122 1.00 0.00 O ATOM 0 H ASP A 625 10.191 -6.396 0.636 1.00 0.00 H new ATOM 0 HA ASP A 625 11.471 -4.901 2.601 1.00 0.00 H new ATOM 0 HB2 ASP A 625 13.426 -5.365 1.303 1.00 0.00 H new ATOM 0 HB3 ASP A 625 12.421 -6.791 1.463 1.00 0.00 H new ATOM 222 N CYS A 626 11.776 -3.230 -0.188 1.00 0.00 N ATOM 223 CA CYS A 626 11.870 -1.952 -0.858 1.00 0.00 C ATOM 224 C CYS A 626 12.154 -2.263 -2.325 1.00 0.00 C ATOM 225 O CYS A 626 12.761 -3.293 -2.627 1.00 0.00 O ATOM 226 CB CYS A 626 13.063 -1.181 -0.305 1.00 0.00 C ATOM 227 SG CYS A 626 12.948 -0.517 1.377 1.00 0.00 S ATOM 0 H CYS A 626 12.110 -3.986 -0.786 1.00 0.00 H new ATOM 0 HA CYS A 626 10.961 -1.367 -0.722 1.00 0.00 H new ATOM 0 HB2 CYS A 626 13.932 -1.838 -0.345 1.00 0.00 H new ATOM 0 HB3 CYS A 626 13.262 -0.348 -0.979 1.00 0.00 H new ATOM 232 N SER A 627 11.768 -1.374 -3.238 1.00 0.00 N ATOM 233 CA SER A 627 12.005 -1.554 -4.662 1.00 0.00 C ATOM 234 C SER A 627 13.519 -1.635 -4.899 1.00 0.00 C ATOM 235 O SER A 627 14.016 -2.589 -5.500 1.00 0.00 O ATOM 236 CB SER A 627 11.341 -0.402 -5.428 1.00 0.00 C ATOM 237 OG SER A 627 11.684 -0.446 -6.793 1.00 0.00 O ATOM 0 H SER A 627 11.281 -0.508 -3.007 1.00 0.00 H new ATOM 0 HA SER A 627 11.564 -2.481 -5.029 1.00 0.00 H new ATOM 0 HB2 SER A 627 10.258 -0.463 -5.318 1.00 0.00 H new ATOM 0 HB3 SER A 627 11.652 0.551 -5.001 1.00 0.00 H new ATOM 0 HG SER A 627 11.249 0.296 -7.264 1.00 0.00 H new ATOM 243 N VAL A 628 14.272 -0.640 -4.431 1.00 0.00 N ATOM 244 CA VAL A 628 15.722 -0.592 -4.572 1.00 0.00 C ATOM 245 C VAL A 628 16.366 -1.560 -3.562 1.00 0.00 C ATOM 246 O VAL A 628 15.722 -1.967 -2.587 1.00 0.00 O ATOM 247 CB VAL A 628 16.159 0.879 -4.357 1.00 0.00 C ATOM 248 CG1 VAL A 628 16.461 1.200 -2.891 1.00 0.00 C ATOM 249 CG2 VAL A 628 17.361 1.291 -5.200 1.00 0.00 C ATOM 0 H VAL A 628 13.885 0.164 -3.937 1.00 0.00 H new ATOM 0 HA VAL A 628 16.049 -0.912 -5.561 1.00 0.00 H new ATOM 0 HB VAL A 628 15.294 1.456 -4.684 1.00 0.00 H new ATOM 0 HG11 VAL A 628 16.762 2.244 -2.802 1.00 0.00 H new ATOM 0 HG12 VAL A 628 15.569 1.027 -2.289 1.00 0.00 H new ATOM 0 HG13 VAL A 628 17.268 0.558 -2.537 1.00 0.00 H new ATOM 0 HG21 VAL A 628 17.609 2.333 -4.996 1.00 0.00 H new ATOM 0 HG22 VAL A 628 18.214 0.660 -4.951 1.00 0.00 H new ATOM 0 HG23 VAL A 628 17.121 1.175 -6.257 1.00 0.00 H new ATOM 259 N THR A 629 17.657 -1.849 -3.742 1.00 0.00 N ATOM 260 CA THR A 629 18.411 -2.720 -2.846 1.00 0.00 C ATOM 261 C THR A 629 19.425 -1.898 -2.035 1.00 0.00 C ATOM 262 O THR A 629 19.866 -2.354 -0.980 1.00 0.00 O ATOM 263 CB THR A 629 19.044 -3.880 -3.629 1.00 0.00 C ATOM 264 OG1 THR A 629 19.918 -3.406 -4.639 1.00 0.00 O ATOM 265 CG2 THR A 629 17.974 -4.747 -4.296 1.00 0.00 C ATOM 0 H THR A 629 18.208 -1.482 -4.518 1.00 0.00 H new ATOM 0 HA THR A 629 17.736 -3.177 -2.122 1.00 0.00 H new ATOM 0 HB THR A 629 19.604 -4.472 -2.906 1.00 0.00 H new ATOM 0 HG1 THR A 629 20.307 -4.167 -5.119 1.00 0.00 H new ATOM 0 HG21 THR A 629 18.453 -5.559 -4.843 1.00 0.00 H new ATOM 0 HG22 THR A 629 17.314 -5.162 -3.534 1.00 0.00 H new ATOM 0 HG23 THR A 629 17.392 -4.138 -4.988 1.00 0.00 H new ATOM 273 N CYS A 630 19.766 -0.678 -2.471 1.00 0.00 N ATOM 274 CA CYS A 630 20.700 0.218 -1.808 1.00 0.00 C ATOM 275 C CYS A 630 20.311 1.678 -2.053 1.00 0.00 C ATOM 276 O CYS A 630 19.695 2.001 -3.072 1.00 0.00 O ATOM 277 CB CYS A 630 22.119 -0.050 -2.288 1.00 0.00 C ATOM 278 SG CYS A 630 22.359 -0.037 -4.081 1.00 0.00 S ATOM 0 H CYS A 630 19.380 -0.281 -3.328 1.00 0.00 H new ATOM 0 HA CYS A 630 20.658 0.032 -0.735 1.00 0.00 H new ATOM 0 HB2 CYS A 630 22.779 0.697 -1.847 1.00 0.00 H new ATOM 0 HB3 CYS A 630 22.435 -1.020 -1.905 1.00 0.00 H new ATOM 283 N GLY A 631 20.712 2.573 -1.151 1.00 0.00 N ATOM 284 CA GLY A 631 20.440 4.002 -1.216 1.00 0.00 C ATOM 285 C GLY A 631 18.945 4.360 -1.241 1.00 0.00 C ATOM 286 O GLY A 631 18.106 3.638 -0.697 1.00 0.00 O ATOM 0 H GLY A 631 21.254 2.310 -0.328 1.00 0.00 H new ATOM 0 HA2 GLY A 631 20.904 4.488 -0.358 1.00 0.00 H new ATOM 0 HA3 GLY A 631 20.915 4.410 -2.108 1.00 0.00 H new ATOM 290 N LYS A 632 18.615 5.514 -1.838 1.00 0.00 N ATOM 291 CA LYS A 632 17.255 6.053 -1.976 1.00 0.00 C ATOM 292 C LYS A 632 16.286 5.005 -2.532 1.00 0.00 C ATOM 293 O LYS A 632 16.502 4.459 -3.619 1.00 0.00 O ATOM 294 CB LYS A 632 17.267 7.328 -2.852 1.00 0.00 C ATOM 295 CG LYS A 632 17.564 7.033 -4.331 1.00 0.00 C ATOM 296 CD LYS A 632 17.887 8.233 -5.213 1.00 0.00 C ATOM 297 CE LYS A 632 18.015 7.736 -6.660 1.00 0.00 C ATOM 298 NZ LYS A 632 16.725 7.371 -7.283 1.00 0.00 N ATOM 0 H LYS A 632 19.319 6.123 -2.256 1.00 0.00 H new ATOM 0 HA LYS A 632 16.897 6.323 -0.982 1.00 0.00 H new ATOM 0 HB2 LYS A 632 16.301 7.827 -2.773 1.00 0.00 H new ATOM 0 HB3 LYS A 632 18.016 8.020 -2.467 1.00 0.00 H new ATOM 0 HG2 LYS A 632 18.403 6.339 -4.378 1.00 0.00 H new ATOM 0 HG3 LYS A 632 16.702 6.520 -4.756 1.00 0.00 H new ATOM 0 HD2 LYS A 632 17.102 8.985 -5.136 1.00 0.00 H new ATOM 0 HD3 LYS A 632 18.814 8.706 -4.889 1.00 0.00 H new ATOM 0 HE2 LYS A 632 18.491 8.512 -7.260 1.00 0.00 H new ATOM 0 HE3 LYS A 632 18.675 6.869 -6.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 632 16.851 7.275 -8.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 632 16.392 6.468 -6.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 632 16.023 8.113 -7.088 1.00 0.00 H new ATOM 312 N GLY A 633 15.181 4.758 -1.838 1.00 0.00 N ATOM 313 CA GLY A 633 14.186 3.785 -2.263 1.00 0.00 C ATOM 314 C GLY A 633 12.853 3.981 -1.557 1.00 0.00 C ATOM 315 O GLY A 633 12.641 4.964 -0.837 1.00 0.00 O ATOM 0 H GLY A 633 14.951 5.229 -0.963 1.00 0.00 H new ATOM 0 HA2 GLY A 633 14.040 3.864 -3.340 1.00 0.00 H new ATOM 0 HA3 GLY A 633 14.556 2.779 -2.065 1.00 0.00 H new ATOM 319 N MET A 634 11.907 3.091 -1.835 1.00 0.00 N ATOM 320 CA MET A 634 10.563 3.069 -1.281 1.00 0.00 C ATOM 321 C MET A 634 9.929 1.721 -1.612 1.00 0.00 C ATOM 322 O MET A 634 10.409 1.030 -2.515 1.00 0.00 O ATOM 323 CB MET A 634 9.725 4.223 -1.854 1.00 0.00 C ATOM 324 CG MET A 634 9.588 4.252 -3.378 1.00 0.00 C ATOM 325 SD MET A 634 8.915 5.822 -3.988 1.00 0.00 S ATOM 326 CE MET A 634 7.331 5.847 -3.115 1.00 0.00 C ATOM 0 H MET A 634 12.068 2.325 -2.489 1.00 0.00 H new ATOM 0 HA MET A 634 10.603 3.200 -0.200 1.00 0.00 H new ATOM 0 HB2 MET A 634 8.727 4.173 -1.419 1.00 0.00 H new ATOM 0 HB3 MET A 634 10.168 5.165 -1.530 1.00 0.00 H new ATOM 0 HG2 MET A 634 10.565 4.079 -3.830 1.00 0.00 H new ATOM 0 HG3 MET A 634 8.940 3.435 -3.697 1.00 0.00 H new ATOM 0 HE1 MET A 634 6.705 6.642 -3.520 1.00 0.00 H new ATOM 0 HE2 MET A 634 6.829 4.888 -3.244 1.00 0.00 H new ATOM 0 HE3 MET A 634 7.503 6.026 -2.054 1.00 0.00 H new ATOM 336 N ARG A 635 8.863 1.359 -0.899 1.00 0.00 N ATOM 337 CA ARG A 635 8.091 0.135 -1.081 1.00 0.00 C ATOM 338 C ARG A 635 6.651 0.547 -1.359 1.00 0.00 C ATOM 339 O ARG A 635 6.276 1.697 -1.091 1.00 0.00 O ATOM 340 CB ARG A 635 8.182 -0.768 0.166 1.00 0.00 C ATOM 341 CG ARG A 635 7.927 -0.058 1.504 1.00 0.00 C ATOM 342 CD ARG A 635 7.917 -1.079 2.642 1.00 0.00 C ATOM 343 NE ARG A 635 7.432 -0.487 3.892 1.00 0.00 N ATOM 344 CZ ARG A 635 7.017 -1.175 4.966 1.00 0.00 C ATOM 345 NH1 ARG A 635 7.321 -2.461 5.116 1.00 0.00 N ATOM 346 NH2 ARG A 635 6.293 -0.575 5.898 1.00 0.00 N ATOM 0 H ARG A 635 8.499 1.940 -0.144 1.00 0.00 H new ATOM 0 HA ARG A 635 8.487 -0.446 -1.914 1.00 0.00 H new ATOM 0 HB2 ARG A 635 7.463 -1.580 0.061 1.00 0.00 H new ATOM 0 HB3 ARG A 635 9.173 -1.221 0.196 1.00 0.00 H new ATOM 0 HG2 ARG A 635 8.700 0.690 1.682 1.00 0.00 H new ATOM 0 HG3 ARG A 635 6.974 0.470 1.469 1.00 0.00 H new ATOM 0 HD2 ARG A 635 7.284 -1.923 2.369 1.00 0.00 H new ATOM 0 HD3 ARG A 635 8.924 -1.470 2.790 1.00 0.00 H new ATOM 0 HE ARG A 635 7.408 0.531 3.950 1.00 0.00 H new ATOM 0 HH11 ARG A 635 7.878 -2.939 4.408 1.00 0.00 H new ATOM 0 HH12 ARG A 635 6.997 -2.969 5.939 1.00 0.00 H new ATOM 0 HH21 ARG A 635 6.051 0.411 5.799 1.00 0.00 H new ATOM 0 HH22 ARG A 635 5.978 -1.099 6.715 1.00 0.00 H new ATOM 360 N THR A 636 5.825 -0.371 -1.855 1.00 0.00 N ATOM 361 CA THR A 636 4.418 -0.125 -2.147 1.00 0.00 C ATOM 362 C THR A 636 3.623 -1.403 -1.857 1.00 0.00 C ATOM 363 O THR A 636 4.196 -2.489 -1.734 1.00 0.00 O ATOM 364 CB THR A 636 4.228 0.341 -3.599 1.00 0.00 C ATOM 365 OG1 THR A 636 4.639 -0.669 -4.487 1.00 0.00 O ATOM 366 CG2 THR A 636 4.971 1.628 -3.978 1.00 0.00 C ATOM 0 H THR A 636 6.122 -1.323 -2.069 1.00 0.00 H new ATOM 0 HA THR A 636 4.047 0.678 -1.509 1.00 0.00 H new ATOM 0 HB THR A 636 3.162 0.557 -3.677 1.00 0.00 H new ATOM 0 HG1 THR A 636 4.513 -0.364 -5.410 1.00 0.00 H new ATOM 0 HG21 THR A 636 4.771 1.870 -5.022 1.00 0.00 H new ATOM 0 HG22 THR A 636 4.629 2.446 -3.344 1.00 0.00 H new ATOM 0 HG23 THR A 636 6.042 1.484 -3.838 1.00 0.00 H new ATOM 374 N ARG A 637 2.307 -1.276 -1.690 1.00 0.00 N ATOM 375 CA ARG A 637 1.356 -2.363 -1.454 1.00 0.00 C ATOM 376 C ARG A 637 0.022 -1.842 -1.976 1.00 0.00 C ATOM 377 O ARG A 637 -0.197 -0.624 -1.996 1.00 0.00 O ATOM 378 CB ARG A 637 1.300 -2.854 0.013 1.00 0.00 C ATOM 379 CG ARG A 637 0.966 -1.757 1.031 1.00 0.00 C ATOM 380 CD ARG A 637 0.508 -2.276 2.393 1.00 0.00 C ATOM 381 NE ARG A 637 0.160 -1.152 3.272 1.00 0.00 N ATOM 382 CZ ARG A 637 -0.595 -1.243 4.367 1.00 0.00 C ATOM 383 NH1 ARG A 637 -0.826 -2.415 4.948 1.00 0.00 N ATOM 384 NH2 ARG A 637 -1.134 -0.146 4.871 1.00 0.00 N ATOM 0 H ARG A 637 1.851 -0.364 -1.717 1.00 0.00 H new ATOM 0 HA ARG A 637 1.664 -3.268 -1.978 1.00 0.00 H new ATOM 0 HB2 ARG A 637 0.555 -3.646 0.091 1.00 0.00 H new ATOM 0 HB3 ARG A 637 2.262 -3.295 0.274 1.00 0.00 H new ATOM 0 HG2 ARG A 637 1.846 -1.130 1.172 1.00 0.00 H new ATOM 0 HG3 ARG A 637 0.184 -1.120 0.617 1.00 0.00 H new ATOM 0 HD2 ARG A 637 -0.354 -2.931 2.270 1.00 0.00 H new ATOM 0 HD3 ARG A 637 1.299 -2.872 2.848 1.00 0.00 H new ATOM 0 HE ARG A 637 0.524 -0.231 3.026 1.00 0.00 H new ATOM 0 HH11 ARG A 637 -0.423 -3.266 4.557 1.00 0.00 H new ATOM 0 HH12 ARG A 637 -1.406 -2.464 5.785 1.00 0.00 H new ATOM 0 HH21 ARG A 637 -0.970 0.755 4.422 1.00 0.00 H new ATOM 0 HH22 ARG A 637 -1.714 -0.201 5.708 1.00 0.00 H new ATOM 398 N GLN A 638 -0.871 -2.735 -2.391 1.00 0.00 N ATOM 399 CA GLN A 638 -2.173 -2.360 -2.924 1.00 0.00 C ATOM 400 C GLN A 638 -3.238 -3.374 -2.502 1.00 0.00 C ATOM 401 O GLN A 638 -2.942 -4.334 -1.781 1.00 0.00 O ATOM 402 CB GLN A 638 -2.071 -2.136 -4.450 1.00 0.00 C ATOM 403 CG GLN A 638 -1.401 -3.283 -5.218 1.00 0.00 C ATOM 404 CD GLN A 638 -1.534 -3.137 -6.733 1.00 0.00 C ATOM 405 OE1 GLN A 638 -2.211 -3.942 -7.368 1.00 0.00 O ATOM 406 NE2 GLN A 638 -0.929 -2.149 -7.365 1.00 0.00 N ATOM 0 H GLN A 638 -0.710 -3.742 -2.366 1.00 0.00 H new ATOM 0 HA GLN A 638 -2.497 -1.409 -2.501 1.00 0.00 H new ATOM 0 HB2 GLN A 638 -3.074 -1.985 -4.850 1.00 0.00 H new ATOM 0 HB3 GLN A 638 -1.513 -1.218 -4.633 1.00 0.00 H new ATOM 0 HG2 GLN A 638 -0.345 -3.324 -4.953 1.00 0.00 H new ATOM 0 HG3 GLN A 638 -1.844 -4.229 -4.908 1.00 0.00 H new ATOM 0 HE21 GLN A 638 -0.366 -1.478 -6.842 1.00 0.00 H new ATOM 0 HE22 GLN A 638 -1.025 -2.056 -8.376 1.00 0.00 H new ATOM 415 N ARG A 639 -4.485 -3.139 -2.900 1.00 0.00 N ATOM 416 CA ARG A 639 -5.659 -3.956 -2.630 1.00 0.00 C ATOM 417 C ARG A 639 -6.665 -3.716 -3.749 1.00 0.00 C ATOM 418 O ARG A 639 -6.662 -2.651 -4.361 1.00 0.00 O ATOM 419 CB ARG A 639 -6.288 -3.560 -1.279 1.00 0.00 C ATOM 420 CG ARG A 639 -6.612 -2.054 -1.183 1.00 0.00 C ATOM 421 CD ARG A 639 -7.429 -1.655 0.047 1.00 0.00 C ATOM 422 NE ARG A 639 -7.942 -0.284 -0.123 1.00 0.00 N ATOM 423 CZ ARG A 639 -9.059 0.087 -0.768 1.00 0.00 C ATOM 424 NH1 ARG A 639 -9.903 -0.799 -1.285 1.00 0.00 N ATOM 425 NH2 ARG A 639 -9.338 1.371 -0.905 1.00 0.00 N ATOM 0 H ARG A 639 -4.715 -2.316 -3.457 1.00 0.00 H new ATOM 0 HA ARG A 639 -5.377 -5.008 -2.583 1.00 0.00 H new ATOM 0 HB2 ARG A 639 -7.203 -4.133 -1.129 1.00 0.00 H new ATOM 0 HB3 ARG A 639 -5.606 -3.831 -0.473 1.00 0.00 H new ATOM 0 HG2 ARG A 639 -5.677 -1.494 -1.179 1.00 0.00 H new ATOM 0 HG3 ARG A 639 -7.158 -1.756 -2.078 1.00 0.00 H new ATOM 0 HD2 ARG A 639 -8.258 -2.349 0.186 1.00 0.00 H new ATOM 0 HD3 ARG A 639 -6.810 -1.714 0.942 1.00 0.00 H new ATOM 0 HE ARG A 639 -7.388 0.464 0.295 1.00 0.00 H new ATOM 0 HH11 ARG A 639 -9.711 -1.797 -1.198 1.00 0.00 H new ATOM 0 HH12 ARG A 639 -10.743 -0.481 -1.769 1.00 0.00 H new ATOM 0 HH21 ARG A 639 -8.706 2.074 -0.522 1.00 0.00 H new ATOM 0 HH22 ARG A 639 -10.185 1.659 -1.394 1.00 0.00 H new ATOM 439 N MET A 640 -7.560 -4.670 -3.976 1.00 0.00 N ATOM 440 CA MET A 640 -8.601 -4.548 -4.997 1.00 0.00 C ATOM 441 C MET A 640 -9.891 -4.285 -4.237 1.00 0.00 C ATOM 442 O MET A 640 -10.134 -4.942 -3.216 1.00 0.00 O ATOM 443 CB MET A 640 -8.731 -5.814 -5.834 1.00 0.00 C ATOM 444 CG MET A 640 -7.465 -6.136 -6.629 1.00 0.00 C ATOM 445 SD MET A 640 -7.649 -7.576 -7.711 1.00 0.00 S ATOM 446 CE MET A 640 -8.718 -6.871 -8.990 1.00 0.00 C ATOM 0 H MET A 640 -7.587 -5.550 -3.460 1.00 0.00 H new ATOM 0 HA MET A 640 -8.361 -3.748 -5.697 1.00 0.00 H new ATOM 0 HB2 MET A 640 -8.966 -6.653 -5.180 1.00 0.00 H new ATOM 0 HB3 MET A 640 -9.568 -5.703 -6.523 1.00 0.00 H new ATOM 0 HG2 MET A 640 -7.192 -5.270 -7.231 1.00 0.00 H new ATOM 0 HG3 MET A 640 -6.643 -6.314 -5.935 1.00 0.00 H new ATOM 0 HE1 MET A 640 -8.732 -7.531 -9.857 1.00 0.00 H new ATOM 0 HE2 MET A 640 -9.730 -6.763 -8.600 1.00 0.00 H new ATOM 0 HE3 MET A 640 -8.337 -5.893 -9.285 1.00 0.00 H new ATOM 456 N LEU A 641 -10.694 -3.317 -4.675 1.00 0.00 N ATOM 457 CA LEU A 641 -11.954 -2.913 -4.054 1.00 0.00 C ATOM 458 C LEU A 641 -12.853 -4.107 -3.732 1.00 0.00 C ATOM 459 O LEU A 641 -13.377 -4.788 -4.604 1.00 0.00 O ATOM 460 CB LEU A 641 -12.677 -1.898 -4.950 1.00 0.00 C ATOM 461 CG LEU A 641 -13.771 -1.099 -4.227 1.00 0.00 C ATOM 462 CD1 LEU A 641 -13.198 -0.204 -3.124 1.00 0.00 C ATOM 463 CD2 LEU A 641 -14.503 -0.211 -5.226 1.00 0.00 C ATOM 0 H LEU A 641 -10.475 -2.770 -5.507 1.00 0.00 H new ATOM 0 HA LEU A 641 -11.719 -2.440 -3.101 1.00 0.00 H new ATOM 0 HB2 LEU A 641 -11.944 -1.203 -5.360 1.00 0.00 H new ATOM 0 HB3 LEU A 641 -13.123 -2.425 -5.793 1.00 0.00 H new ATOM 0 HG LEU A 641 -14.449 -1.822 -3.773 1.00 0.00 H new ATOM 0 HD11 LEU A 641 -14.008 0.342 -2.641 1.00 0.00 H new ATOM 0 HD12 LEU A 641 -12.684 -0.820 -2.386 1.00 0.00 H new ATOM 0 HD13 LEU A 641 -12.493 0.504 -3.560 1.00 0.00 H new ATOM 0 HD21 LEU A 641 -15.279 0.355 -4.710 1.00 0.00 H new ATOM 0 HD22 LEU A 641 -13.796 0.479 -5.686 1.00 0.00 H new ATOM 0 HD23 LEU A 641 -14.959 -0.831 -5.998 1.00 0.00 H new ATOM 475 N LYS A 642 -13.041 -4.352 -2.436 1.00 0.00 N ATOM 476 CA LYS A 642 -13.864 -5.448 -1.919 1.00 0.00 C ATOM 477 C LYS A 642 -15.354 -5.182 -2.171 1.00 0.00 C ATOM 478 O LYS A 642 -16.183 -6.081 -2.022 1.00 0.00 O ATOM 479 CB LYS A 642 -13.549 -5.596 -0.420 1.00 0.00 C ATOM 480 CG LYS A 642 -13.513 -7.017 0.160 1.00 0.00 C ATOM 481 CD LYS A 642 -14.867 -7.721 0.185 1.00 0.00 C ATOM 482 CE LYS A 642 -14.787 -8.995 1.030 1.00 0.00 C ATOM 483 NZ LYS A 642 -16.063 -9.737 0.980 1.00 0.00 N ATOM 0 H LYS A 642 -12.618 -3.785 -1.701 1.00 0.00 H new ATOM 0 HA LYS A 642 -13.633 -6.380 -2.435 1.00 0.00 H new ATOM 0 HB2 LYS A 642 -12.581 -5.132 -0.232 1.00 0.00 H new ATOM 0 HB3 LYS A 642 -14.291 -5.024 0.138 1.00 0.00 H new ATOM 0 HG2 LYS A 642 -12.815 -7.617 -0.424 1.00 0.00 H new ATOM 0 HG3 LYS A 642 -13.121 -6.972 1.176 1.00 0.00 H new ATOM 0 HD2 LYS A 642 -15.625 -7.052 0.593 1.00 0.00 H new ATOM 0 HD3 LYS A 642 -15.175 -7.969 -0.831 1.00 0.00 H new ATOM 0 HE2 LYS A 642 -13.978 -9.628 0.666 1.00 0.00 H new ATOM 0 HE3 LYS A 642 -14.551 -8.738 2.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 642 -15.987 -10.597 1.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 642 -16.828 -9.137 1.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 642 -16.273 -10.000 -0.004 1.00 0.00 H new ATOM 497 N SER A 643 -15.729 -3.939 -2.460 1.00 0.00 N ATOM 498 CA SER A 643 -17.099 -3.576 -2.725 1.00 0.00 C ATOM 499 C SER A 643 -17.385 -3.842 -4.192 1.00 0.00 C ATOM 500 O SER A 643 -17.024 -3.042 -5.053 1.00 0.00 O ATOM 501 CB SER A 643 -17.359 -2.115 -2.345 1.00 0.00 C ATOM 502 OG SER A 643 -18.716 -1.776 -2.553 1.00 0.00 O ATOM 0 H SER A 643 -15.078 -3.156 -2.515 1.00 0.00 H new ATOM 0 HA SER A 643 -17.774 -4.177 -2.116 1.00 0.00 H new ATOM 0 HB2 SER A 643 -17.095 -1.954 -1.300 1.00 0.00 H new ATOM 0 HB3 SER A 643 -16.721 -1.461 -2.939 1.00 0.00 H new ATOM 0 HG SER A 643 -19.158 -1.650 -1.688 1.00 0.00 H new ATOM 508 N LEU A 644 -18.026 -4.975 -4.483 1.00 0.00 N ATOM 509 CA LEU A 644 -18.419 -5.330 -5.846 1.00 0.00 C ATOM 510 C LEU A 644 -19.417 -4.291 -6.372 1.00 0.00 C ATOM 511 O LEU A 644 -19.537 -4.085 -7.576 1.00 0.00 O ATOM 512 CB LEU A 644 -19.032 -6.738 -5.891 1.00 0.00 C ATOM 513 CG LEU A 644 -20.406 -6.945 -5.211 1.00 0.00 C ATOM 514 CD1 LEU A 644 -20.826 -8.394 -5.448 1.00 0.00 C ATOM 515 CD2 LEU A 644 -20.415 -6.709 -3.692 1.00 0.00 C ATOM 0 H LEU A 644 -18.286 -5.670 -3.783 1.00 0.00 H new ATOM 0 HA LEU A 644 -17.533 -5.334 -6.481 1.00 0.00 H new ATOM 0 HB2 LEU A 644 -19.128 -7.029 -6.937 1.00 0.00 H new ATOM 0 HB3 LEU A 644 -18.323 -7.427 -5.432 1.00 0.00 H new ATOM 0 HG LEU A 644 -21.081 -6.210 -5.648 1.00 0.00 H new ATOM 0 HD11 LEU A 644 -21.794 -8.574 -4.980 1.00 0.00 H new ATOM 0 HD12 LEU A 644 -20.901 -8.581 -6.519 1.00 0.00 H new ATOM 0 HD13 LEU A 644 -20.083 -9.064 -5.014 1.00 0.00 H new ATOM 0 HD21 LEU A 644 -21.419 -6.877 -3.304 1.00 0.00 H new ATOM 0 HD22 LEU A 644 -19.720 -7.399 -3.213 1.00 0.00 H new ATOM 0 HD23 LEU A 644 -20.112 -5.683 -3.481 1.00 0.00 H new ATOM 527 N ALA A 645 -20.121 -3.638 -5.444 1.00 0.00 N ATOM 528 CA ALA A 645 -21.099 -2.603 -5.681 1.00 0.00 C ATOM 529 C ALA A 645 -20.417 -1.235 -5.871 1.00 0.00 C ATOM 530 O ALA A 645 -21.119 -0.244 -6.061 1.00 0.00 O ATOM 531 CB ALA A 645 -22.062 -2.584 -4.491 1.00 0.00 C ATOM 0 H ALA A 645 -20.008 -3.839 -4.450 1.00 0.00 H new ATOM 0 HA ALA A 645 -21.650 -2.809 -6.599 1.00 0.00 H new ATOM 0 HB1 ALA A 645 -22.814 -1.809 -4.643 1.00 0.00 H new ATOM 0 HB2 ALA A 645 -22.553 -3.554 -4.404 1.00 0.00 H new ATOM 0 HB3 ALA A 645 -21.506 -2.375 -3.577 1.00 0.00 H new ATOM 537 N GLU A 646 -19.084 -1.164 -5.782 1.00 0.00 N ATOM 538 CA GLU A 646 -18.234 0.008 -5.947 1.00 0.00 C ATOM 539 C GLU A 646 -18.796 1.236 -5.229 1.00 0.00 C ATOM 540 O GLU A 646 -19.008 2.289 -5.824 1.00 0.00 O ATOM 541 CB GLU A 646 -17.992 0.149 -7.449 1.00 0.00 C ATOM 542 CG GLU A 646 -16.797 1.010 -7.861 1.00 0.00 C ATOM 543 CD GLU A 646 -16.266 0.537 -9.220 1.00 0.00 C ATOM 544 OE1 GLU A 646 -16.979 0.729 -10.236 1.00 0.00 O ATOM 545 OE2 GLU A 646 -15.187 -0.101 -9.267 1.00 0.00 O ATOM 0 H GLU A 646 -18.532 -1.997 -5.576 1.00 0.00 H new ATOM 0 HA GLU A 646 -17.266 -0.103 -5.458 1.00 0.00 H new ATOM 0 HB2 GLU A 646 -17.858 -0.848 -7.870 1.00 0.00 H new ATOM 0 HB3 GLU A 646 -18.890 0.569 -7.903 1.00 0.00 H new ATOM 0 HG2 GLU A 646 -17.094 2.057 -7.920 1.00 0.00 H new ATOM 0 HG3 GLU A 646 -16.011 0.943 -7.109 1.00 0.00 H new ATOM 552 N LEU A 647 -18.979 1.074 -3.916 1.00 0.00 N ATOM 553 CA LEU A 647 -19.535 2.082 -3.005 1.00 0.00 C ATOM 554 C LEU A 647 -18.995 3.503 -3.180 1.00 0.00 C ATOM 555 O LEU A 647 -19.792 4.431 -3.265 1.00 0.00 O ATOM 556 CB LEU A 647 -19.572 1.607 -1.535 1.00 0.00 C ATOM 557 CG LEU A 647 -18.366 1.949 -0.635 1.00 0.00 C ATOM 558 CD1 LEU A 647 -18.721 1.665 0.826 1.00 0.00 C ATOM 559 CD2 LEU A 647 -17.088 1.185 -0.992 1.00 0.00 C ATOM 0 H LEU A 647 -18.736 0.206 -3.439 1.00 0.00 H new ATOM 0 HA LEU A 647 -20.573 2.178 -3.322 1.00 0.00 H new ATOM 0 HB2 LEU A 647 -20.465 2.025 -1.071 1.00 0.00 H new ATOM 0 HB3 LEU A 647 -19.691 0.524 -1.537 1.00 0.00 H new ATOM 0 HG LEU A 647 -18.157 3.007 -0.797 1.00 0.00 H new ATOM 0 HD11 LEU A 647 -17.869 1.907 1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 647 -19.576 2.275 1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 647 -18.972 0.610 0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 647 -16.286 1.480 -0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 647 -17.266 0.114 -0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 647 -16.800 1.416 -2.018 1.00 0.00 H new ATOM 571 N GLY A 648 -17.672 3.703 -3.216 1.00 0.00 N ATOM 572 CA GLY A 648 -17.054 5.020 -3.372 1.00 0.00 C ATOM 573 C GLY A 648 -17.556 6.068 -2.366 1.00 0.00 C ATOM 574 O GLY A 648 -17.674 7.243 -2.710 1.00 0.00 O ATOM 0 H GLY A 648 -16.995 2.944 -3.136 1.00 0.00 H new ATOM 0 HA2 GLY A 648 -15.974 4.918 -3.267 1.00 0.00 H new ATOM 0 HA3 GLY A 648 -17.243 5.382 -4.383 1.00 0.00 H new ATOM 578 N ASP A 649 -17.892 5.638 -1.146 1.00 0.00 N ATOM 579 CA ASP A 649 -18.370 6.499 -0.062 1.00 0.00 C ATOM 580 C ASP A 649 -17.154 7.220 0.520 1.00 0.00 C ATOM 581 O ASP A 649 -17.105 8.451 0.598 1.00 0.00 O ATOM 582 CB ASP A 649 -19.093 5.652 1.001 1.00 0.00 C ATOM 583 CG ASP A 649 -19.698 6.513 2.114 1.00 0.00 C ATOM 584 OD1 ASP A 649 -20.354 7.526 1.798 1.00 0.00 O ATOM 585 OD2 ASP A 649 -19.600 6.142 3.305 1.00 0.00 O ATOM 0 H ASP A 649 -17.837 4.655 -0.879 1.00 0.00 H new ATOM 0 HA ASP A 649 -19.088 7.233 -0.427 1.00 0.00 H new ATOM 0 HB2 ASP A 649 -19.882 5.070 0.524 1.00 0.00 H new ATOM 0 HB3 ASP A 649 -18.391 4.941 1.435 1.00 0.00 H new ATOM 590 N CYS A 650 -16.158 6.435 0.937 1.00 0.00 N ATOM 591 CA CYS A 650 -14.903 6.914 1.490 1.00 0.00 C ATOM 592 C CYS A 650 -13.942 7.147 0.332 1.00 0.00 C ATOM 593 O CYS A 650 -13.890 6.323 -0.586 1.00 0.00 O ATOM 594 CB CYS A 650 -14.264 5.847 2.378 1.00 0.00 C ATOM 595 SG CYS A 650 -15.260 5.252 3.758 1.00 0.00 S ATOM 0 H CYS A 650 -16.211 5.417 0.895 1.00 0.00 H new ATOM 0 HA CYS A 650 -15.094 7.818 2.069 1.00 0.00 H new ATOM 0 HB2 CYS A 650 -14.002 4.994 1.752 1.00 0.00 H new ATOM 0 HB3 CYS A 650 -13.332 6.248 2.777 1.00 0.00 H new ATOM 600 N ASN A 651 -13.134 8.205 0.393 1.00 0.00 N ATOM 601 CA ASN A 651 -12.156 8.507 -0.650 1.00 0.00 C ATOM 602 C ASN A 651 -10.837 7.807 -0.314 1.00 0.00 C ATOM 603 O ASN A 651 -9.774 8.427 -0.362 1.00 0.00 O ATOM 604 CB ASN A 651 -12.004 10.021 -0.894 1.00 0.00 C ATOM 605 CG ASN A 651 -13.279 10.604 -1.485 1.00 0.00 C ATOM 606 OD1 ASN A 651 -13.546 10.447 -2.673 1.00 0.00 O ATOM 607 ND2 ASN A 651 -14.111 11.225 -0.668 1.00 0.00 N ATOM 0 H ASN A 651 -13.139 8.874 1.163 1.00 0.00 H new ATOM 0 HA ASN A 651 -12.514 8.116 -1.602 1.00 0.00 H new ATOM 0 HB2 ASN A 651 -11.770 10.523 0.045 1.00 0.00 H new ATOM 0 HB3 ASN A 651 -11.168 10.203 -1.570 1.00 0.00 H new ATOM 0 HD21 ASN A 651 -14.997 11.586 -1.021 1.00 0.00 H new ATOM 0 HD22 ASN A 651 -13.867 11.343 0.315 1.00 0.00 H new ATOM 614 N GLU A 652 -10.904 6.558 0.163 1.00 0.00 N ATOM 615 CA GLU A 652 -9.717 5.777 0.483 1.00 0.00 C ATOM 616 C GLU A 652 -9.108 5.369 -0.857 1.00 0.00 C ATOM 617 O GLU A 652 -9.765 5.436 -1.903 1.00 0.00 O ATOM 618 CB GLU A 652 -10.091 4.574 1.362 1.00 0.00 C ATOM 619 CG GLU A 652 -8.981 3.630 1.864 1.00 0.00 C ATOM 620 CD GLU A 652 -7.864 4.233 2.715 1.00 0.00 C ATOM 621 OE1 GLU A 652 -7.676 5.468 2.726 1.00 0.00 O ATOM 622 OE2 GLU A 652 -7.097 3.436 3.313 1.00 0.00 O ATOM 0 H GLU A 652 -11.782 6.068 0.335 1.00 0.00 H new ATOM 0 HA GLU A 652 -8.989 6.344 1.062 1.00 0.00 H new ATOM 0 HB2 GLU A 652 -10.614 4.959 2.238 1.00 0.00 H new ATOM 0 HB3 GLU A 652 -10.806 3.970 0.803 1.00 0.00 H new ATOM 0 HG2 GLU A 652 -9.453 2.837 2.444 1.00 0.00 H new ATOM 0 HG3 GLU A 652 -8.523 3.160 0.994 1.00 0.00 H new ATOM 629 N ASP A 653 -7.886 4.862 -0.821 1.00 0.00 N ATOM 630 CA ASP A 653 -7.155 4.477 -2.029 1.00 0.00 C ATOM 631 C ASP A 653 -6.857 2.996 -2.130 1.00 0.00 C ATOM 632 O ASP A 653 -6.864 2.305 -1.112 1.00 0.00 O ATOM 633 CB ASP A 653 -5.867 5.312 -2.114 1.00 0.00 C ATOM 634 CG ASP A 653 -5.912 6.239 -3.313 1.00 0.00 C ATOM 635 OD1 ASP A 653 -6.779 7.134 -3.358 1.00 0.00 O ATOM 636 OD2 ASP A 653 -5.114 6.030 -4.251 1.00 0.00 O ATOM 0 H ASP A 653 -7.369 4.704 0.044 1.00 0.00 H new ATOM 0 HA ASP A 653 -7.803 4.685 -2.881 1.00 0.00 H new ATOM 0 HB2 ASP A 653 -5.744 5.895 -1.201 1.00 0.00 H new ATOM 0 HB3 ASP A 653 -5.003 4.652 -2.190 1.00 0.00 H new ATOM 641 N LEU A 654 -6.648 2.507 -3.357 1.00 0.00 N ATOM 642 CA LEU A 654 -6.362 1.111 -3.675 1.00 0.00 C ATOM 643 C LEU A 654 -4.874 0.811 -3.580 1.00 0.00 C ATOM 644 O LEU A 654 -4.509 -0.334 -3.323 1.00 0.00 O ATOM 645 CB LEU A 654 -6.807 0.789 -5.116 1.00 0.00 C ATOM 646 CG LEU A 654 -8.311 0.955 -5.396 1.00 0.00 C ATOM 647 CD1 LEU A 654 -8.595 0.735 -6.882 1.00 0.00 C ATOM 648 CD2 LEU A 654 -9.153 -0.035 -4.589 1.00 0.00 C ATOM 0 H LEU A 654 -6.675 3.100 -4.186 1.00 0.00 H new ATOM 0 HA LEU A 654 -6.907 0.504 -2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 654 -6.254 1.432 -5.801 1.00 0.00 H new ATOM 0 HB3 LEU A 654 -6.524 -0.238 -5.345 1.00 0.00 H new ATOM 0 HG LEU A 654 -8.583 1.968 -5.100 1.00 0.00 H new ATOM 0 HD11 LEU A 654 -9.662 0.855 -7.070 1.00 0.00 H new ATOM 0 HD12 LEU A 654 -8.039 1.465 -7.471 1.00 0.00 H new ATOM 0 HD13 LEU A 654 -8.287 -0.271 -7.166 1.00 0.00 H new ATOM 0 HD21 LEU A 654 -10.208 0.116 -4.816 1.00 0.00 H new ATOM 0 HD22 LEU A 654 -8.867 -1.054 -4.851 1.00 0.00 H new ATOM 0 HD23 LEU A 654 -8.984 0.127 -3.524 1.00 0.00 H new ATOM 660 N GLU A 655 -4.014 1.814 -3.757 1.00 0.00 N ATOM 661 CA GLU A 655 -2.573 1.661 -3.705 1.00 0.00 C ATOM 662 C GLU A 655 -1.960 2.678 -2.742 1.00 0.00 C ATOM 663 O GLU A 655 -2.451 3.800 -2.605 1.00 0.00 O ATOM 664 CB GLU A 655 -2.018 1.753 -5.131 1.00 0.00 C ATOM 665 CG GLU A 655 -0.483 1.775 -5.077 1.00 0.00 C ATOM 666 CD GLU A 655 0.236 1.316 -6.336 1.00 0.00 C ATOM 667 OE1 GLU A 655 -0.348 0.599 -7.174 1.00 0.00 O ATOM 668 OE2 GLU A 655 1.459 1.589 -6.404 1.00 0.00 O ATOM 0 H GLU A 655 -4.312 2.771 -3.944 1.00 0.00 H new ATOM 0 HA GLU A 655 -2.301 0.683 -3.309 1.00 0.00 H new ATOM 0 HB2 GLU A 655 -2.361 0.904 -5.722 1.00 0.00 H new ATOM 0 HB3 GLU A 655 -2.389 2.653 -5.621 1.00 0.00 H new ATOM 0 HG2 GLU A 655 -0.162 2.792 -4.850 1.00 0.00 H new ATOM 0 HG3 GLU A 655 -0.160 1.146 -4.248 1.00 0.00 H new ATOM 675 N GLN A 656 -0.871 2.273 -2.084 1.00 0.00 N ATOM 676 CA GLN A 656 -0.106 3.045 -1.125 1.00 0.00 C ATOM 677 C GLN A 656 1.390 2.871 -1.389 1.00 0.00 C ATOM 678 O GLN A 656 1.819 1.977 -2.126 1.00 0.00 O ATOM 679 CB GLN A 656 -0.484 2.566 0.289 1.00 0.00 C ATOM 680 CG GLN A 656 -1.711 3.321 0.820 1.00 0.00 C ATOM 681 CD GLN A 656 -1.391 4.711 1.353 1.00 0.00 C ATOM 682 OE1 GLN A 656 -0.233 5.109 1.457 1.00 0.00 O ATOM 683 NE2 GLN A 656 -2.400 5.445 1.777 1.00 0.00 N ATOM 0 H GLN A 656 -0.483 1.339 -2.221 1.00 0.00 H new ATOM 0 HA GLN A 656 -0.334 4.107 -1.218 1.00 0.00 H new ATOM 0 HB2 GLN A 656 -0.692 1.496 0.270 1.00 0.00 H new ATOM 0 HB3 GLN A 656 0.359 2.715 0.964 1.00 0.00 H new ATOM 0 HG2 GLN A 656 -2.447 3.409 0.021 1.00 0.00 H new ATOM 0 HG3 GLN A 656 -2.172 2.734 1.614 1.00 0.00 H new ATOM 0 HE21 GLN A 656 -3.356 5.101 1.684 1.00 0.00 H new ATOM 0 HE22 GLN A 656 -2.225 6.357 2.198 1.00 0.00 H new ATOM 692 N ALA A 657 2.185 3.737 -0.767 1.00 0.00 N ATOM 693 CA ALA A 657 3.639 3.773 -0.850 1.00 0.00 C ATOM 694 C ALA A 657 4.234 4.181 0.492 1.00 0.00 C ATOM 695 O ALA A 657 3.529 4.746 1.329 1.00 0.00 O ATOM 696 CB ALA A 657 4.068 4.802 -1.898 1.00 0.00 C ATOM 0 H ALA A 657 1.812 4.468 -0.162 1.00 0.00 H new ATOM 0 HA ALA A 657 3.994 2.780 -1.124 1.00 0.00 H new ATOM 0 HB1 ALA A 657 5.156 4.828 -1.959 1.00 0.00 H new ATOM 0 HB2 ALA A 657 3.657 4.526 -2.869 1.00 0.00 H new ATOM 0 HB3 ALA A 657 3.697 5.787 -1.614 1.00 0.00 H new ATOM 702 N GLU A 658 5.527 3.930 0.690 1.00 0.00 N ATOM 703 CA GLU A 658 6.251 4.275 1.904 1.00 0.00 C ATOM 704 C GLU A 658 7.743 4.343 1.573 1.00 0.00 C ATOM 705 O GLU A 658 8.301 3.399 1.012 1.00 0.00 O ATOM 706 CB GLU A 658 5.977 3.241 3.002 1.00 0.00 C ATOM 707 CG GLU A 658 6.476 3.716 4.370 1.00 0.00 C ATOM 708 CD GLU A 658 6.547 2.529 5.322 1.00 0.00 C ATOM 709 OE1 GLU A 658 5.499 2.104 5.860 1.00 0.00 O ATOM 710 OE2 GLU A 658 7.630 1.913 5.429 1.00 0.00 O ATOM 0 H GLU A 658 6.111 3.470 -0.008 1.00 0.00 H new ATOM 0 HA GLU A 658 5.917 5.243 2.277 1.00 0.00 H new ATOM 0 HB2 GLU A 658 4.907 3.042 3.055 1.00 0.00 H new ATOM 0 HB3 GLU A 658 6.464 2.300 2.745 1.00 0.00 H new ATOM 0 HG2 GLU A 658 7.459 4.176 4.271 1.00 0.00 H new ATOM 0 HG3 GLU A 658 5.806 4.477 4.770 1.00 0.00 H new ATOM 717 N LYS A 659 8.378 5.482 1.851 1.00 0.00 N ATOM 718 CA LYS A 659 9.798 5.719 1.625 1.00 0.00 C ATOM 719 C LYS A 659 10.619 4.764 2.493 1.00 0.00 C ATOM 720 O LYS A 659 10.234 4.495 3.630 1.00 0.00 O ATOM 721 CB LYS A 659 10.128 7.192 1.950 1.00 0.00 C ATOM 722 CG LYS A 659 10.122 7.522 3.460 1.00 0.00 C ATOM 723 CD LYS A 659 10.242 9.015 3.785 1.00 0.00 C ATOM 724 CE LYS A 659 8.908 9.749 3.597 1.00 0.00 C ATOM 725 NZ LYS A 659 8.981 11.144 4.079 1.00 0.00 N ATOM 0 H LYS A 659 7.900 6.289 2.252 1.00 0.00 H new ATOM 0 HA LYS A 659 10.049 5.532 0.581 1.00 0.00 H new ATOM 0 HB2 LYS A 659 11.109 7.432 1.541 1.00 0.00 H new ATOM 0 HB3 LYS A 659 9.406 7.835 1.446 1.00 0.00 H new ATOM 0 HG2 LYS A 659 9.200 7.141 3.899 1.00 0.00 H new ATOM 0 HG3 LYS A 659 10.946 6.992 3.938 1.00 0.00 H new ATOM 0 HD2 LYS A 659 10.582 9.137 4.813 1.00 0.00 H new ATOM 0 HD3 LYS A 659 10.999 9.467 3.144 1.00 0.00 H new ATOM 0 HE2 LYS A 659 8.634 9.742 2.542 1.00 0.00 H new ATOM 0 HE3 LYS A 659 8.122 9.219 4.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 659 8.062 11.609 3.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 659 9.218 11.149 5.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 659 9.714 11.657 3.549 1.00 0.00 H new ATOM 739 N CYS A 660 11.747 4.278 1.986 1.00 0.00 N ATOM 740 CA CYS A 660 12.619 3.390 2.733 1.00 0.00 C ATOM 741 C CYS A 660 14.011 3.503 2.114 1.00 0.00 C ATOM 742 O CYS A 660 14.193 3.197 0.936 1.00 0.00 O ATOM 743 CB CYS A 660 12.072 1.957 2.789 1.00 0.00 C ATOM 744 SG CYS A 660 11.725 1.093 1.236 1.00 0.00 S ATOM 0 H CYS A 660 12.079 4.491 1.045 1.00 0.00 H new ATOM 0 HA CYS A 660 12.673 3.684 3.781 1.00 0.00 H new ATOM 0 HB2 CYS A 660 12.785 1.353 3.350 1.00 0.00 H new ATOM 0 HB3 CYS A 660 11.149 1.979 3.368 1.00 0.00 H new ATOM 749 N MET A 661 14.975 4.056 2.851 1.00 0.00 N ATOM 750 CA MET A 661 16.336 4.232 2.363 1.00 0.00 C ATOM 751 C MET A 661 17.161 3.037 2.803 1.00 0.00 C ATOM 752 O MET A 661 17.280 2.735 3.996 1.00 0.00 O ATOM 753 CB MET A 661 16.989 5.531 2.844 1.00 0.00 C ATOM 754 CG MET A 661 16.157 6.804 2.627 1.00 0.00 C ATOM 755 SD MET A 661 14.665 7.038 3.650 1.00 0.00 S ATOM 756 CE MET A 661 15.384 7.018 5.317 1.00 0.00 C ATOM 0 H MET A 661 14.830 4.393 3.803 1.00 0.00 H new ATOM 0 HA MET A 661 16.295 4.302 1.276 1.00 0.00 H new ATOM 0 HB2 MET A 661 17.207 5.436 3.908 1.00 0.00 H new ATOM 0 HB3 MET A 661 17.944 5.649 2.332 1.00 0.00 H new ATOM 0 HG2 MET A 661 16.810 7.661 2.789 1.00 0.00 H new ATOM 0 HG3 MET A 661 15.852 6.829 1.581 1.00 0.00 H new ATOM 0 HE1 MET A 661 14.647 7.376 6.036 1.00 0.00 H new ATOM 0 HE2 MET A 661 15.677 6.000 5.575 1.00 0.00 H new ATOM 0 HE3 MET A 661 16.260 7.666 5.343 1.00 0.00 H new ATOM 766 N LEU A 662 17.741 2.348 1.839 1.00 0.00 N ATOM 767 CA LEU A 662 18.563 1.170 2.046 1.00 0.00 C ATOM 768 C LEU A 662 20.003 1.601 2.306 1.00 0.00 C ATOM 769 O LEU A 662 20.358 2.761 2.043 1.00 0.00 O ATOM 770 CB LEU A 662 18.498 0.303 0.775 1.00 0.00 C ATOM 771 CG LEU A 662 17.223 -0.513 0.555 1.00 0.00 C ATOM 772 CD1 LEU A 662 16.980 -1.560 1.646 1.00 0.00 C ATOM 773 CD2 LEU A 662 16.029 0.417 0.414 1.00 0.00 C ATOM 0 H LEU A 662 17.650 2.602 0.855 1.00 0.00 H new ATOM 0 HA LEU A 662 18.203 0.600 2.902 1.00 0.00 H new ATOM 0 HB2 LEU A 662 18.636 0.955 -0.087 1.00 0.00 H new ATOM 0 HB3 LEU A 662 19.342 -0.386 0.791 1.00 0.00 H new ATOM 0 HG LEU A 662 17.357 -1.073 -0.371 1.00 0.00 H new ATOM 0 HD11 LEU A 662 16.060 -2.104 1.430 1.00 0.00 H new ATOM 0 HD12 LEU A 662 17.816 -2.258 1.673 1.00 0.00 H new ATOM 0 HD13 LEU A 662 16.890 -1.064 2.613 1.00 0.00 H new ATOM 0 HD21 LEU A 662 15.125 -0.172 0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 662 15.922 1.012 1.321 1.00 0.00 H new ATOM 0 HD23 LEU A 662 16.182 1.079 -0.438 1.00 0.00 H new ATOM 785 N PRO A 663 20.850 0.703 2.829 1.00 0.00 N ATOM 786 CA PRO A 663 22.242 1.022 3.077 1.00 0.00 C ATOM 787 C PRO A 663 22.970 1.169 1.730 1.00 0.00 C ATOM 788 O PRO A 663 22.377 1.089 0.654 1.00 0.00 O ATOM 789 CB PRO A 663 22.767 -0.110 3.966 1.00 0.00 C ATOM 790 CG PRO A 663 21.902 -1.303 3.566 1.00 0.00 C ATOM 791 CD PRO A 663 20.561 -0.676 3.197 1.00 0.00 C ATOM 0 HA PRO A 663 22.401 1.971 3.590 1.00 0.00 H new ATOM 0 HB2 PRO A 663 23.825 -0.303 3.788 1.00 0.00 H new ATOM 0 HB3 PRO A 663 22.660 0.127 5.024 1.00 0.00 H new ATOM 0 HG2 PRO A 663 22.334 -1.846 2.725 1.00 0.00 H new ATOM 0 HG3 PRO A 663 21.799 -2.014 4.385 1.00 0.00 H new ATOM 0 HD2 PRO A 663 20.095 -1.211 2.370 1.00 0.00 H new ATOM 0 HD3 PRO A 663 19.866 -0.719 4.036 1.00 0.00 H new ATOM 799 N GLU A 664 24.260 1.440 1.794 1.00 0.00 N ATOM 800 CA GLU A 664 25.161 1.636 0.675 1.00 0.00 C ATOM 801 C GLU A 664 25.147 0.456 -0.304 1.00 0.00 C ATOM 802 O GLU A 664 24.936 -0.695 0.086 1.00 0.00 O ATOM 803 CB GLU A 664 26.589 1.880 1.212 1.00 0.00 C ATOM 804 CG GLU A 664 27.091 0.840 2.242 1.00 0.00 C ATOM 805 CD GLU A 664 26.705 1.121 3.709 1.00 0.00 C ATOM 806 OE1 GLU A 664 25.831 1.978 3.994 1.00 0.00 O ATOM 807 OE2 GLU A 664 27.279 0.488 4.625 1.00 0.00 O ATOM 0 H GLU A 664 24.738 1.535 2.690 1.00 0.00 H new ATOM 0 HA GLU A 664 24.819 2.506 0.115 1.00 0.00 H new ATOM 0 HB2 GLU A 664 27.280 1.895 0.369 1.00 0.00 H new ATOM 0 HB3 GLU A 664 26.624 2.868 1.671 1.00 0.00 H new ATOM 0 HG2 GLU A 664 26.702 -0.139 1.963 1.00 0.00 H new ATOM 0 HG3 GLU A 664 28.177 0.782 2.175 1.00 0.00 H new ATOM 814 N CYS A 665 25.375 0.756 -1.585 1.00 0.00 N ATOM 815 CA CYS A 665 25.422 -0.252 -2.639 1.00 0.00 C ATOM 816 C CYS A 665 26.722 -1.063 -2.518 1.00 0.00 C ATOM 817 O CYS A 665 27.784 -0.434 -2.505 1.00 0.00 O ATOM 818 CB CYS A 665 25.340 0.423 -4.012 1.00 0.00 C ATOM 819 SG CYS A 665 23.820 1.360 -4.323 1.00 0.00 S ATOM 0 H CYS A 665 25.532 1.707 -1.918 1.00 0.00 H new ATOM 0 HA CYS A 665 24.573 -0.927 -2.533 1.00 0.00 H new ATOM 0 HB2 CYS A 665 26.191 1.096 -4.119 1.00 0.00 H new ATOM 0 HB3 CYS A 665 25.440 -0.342 -4.782 1.00 0.00 H new ATOM 824 N PRO A 666 26.665 -2.407 -2.436 1.00 0.00 N ATOM 825 CA PRO A 666 27.840 -3.263 -2.322 1.00 0.00 C ATOM 826 C PRO A 666 28.597 -3.287 -3.647 1.00 0.00 C ATOM 827 O PRO A 666 29.765 -2.858 -3.678 1.00 0.00 O ATOM 828 CB PRO A 666 27.309 -4.645 -1.928 1.00 0.00 C ATOM 829 CG PRO A 666 25.906 -4.678 -2.530 1.00 0.00 C ATOM 830 CD PRO A 666 25.456 -3.221 -2.441 1.00 0.00 C ATOM 0 HA PRO A 666 28.550 -2.905 -1.576 1.00 0.00 H new ATOM 0 HB2 PRO A 666 27.935 -5.443 -2.327 1.00 0.00 H new ATOM 0 HB3 PRO A 666 27.283 -4.771 -0.846 1.00 0.00 H new ATOM 0 HG2 PRO A 666 25.918 -5.034 -3.560 1.00 0.00 H new ATOM 0 HG3 PRO A 666 25.243 -5.339 -1.972 1.00 0.00 H new ATOM 0 HD2 PRO A 666 24.818 -2.961 -3.286 1.00 0.00 H new ATOM 0 HD3 PRO A 666 24.872 -3.051 -1.537 1.00 0.00 H new