USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 492 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 Set 1.1: C 575 ASN : amide:sc= -5.81! C(o=-4.6!,f=-8.2!) USER MOD Set 1.2: C 627 THR OG1 : rot -124:sc= 1.19 USER MOD Set 2.1: C 579 SER OG : rot 180:sc= 0 USER MOD Set 2.2: C 623 SER OG : rot 180:sc= 0 USER MOD Set 3.1: C 599 GLN : amide:sc= -5.5! C(o=-4.3!,f=-13!) USER MOD Set 3.2: C 600 SER OG : rot -82:sc= 1.24 USER MOD Single : C 563 SER OG : rot 26:sc= 0.935 USER MOD Single : C 577 THR OG1 : rot 180:sc= 0 USER MOD Single : C 578 TYR OH : rot 180:sc= -1.82! USER MOD Single : C 581 SER OG : rot 180:sc= 0 USER MOD Single : C 585 SER OG : rot 42:sc= 0.155 USER MOD Single : C 589 THR OG1 : rot 180:sc= 0 USER MOD Single : C 593 ASN : amide:sc= -1.06! C(o=-1.1!,f=-6.8!) USER MOD Single : C 596 GLN : amide:sc= -1.79 K(o=-1.8,f=-4.6!) USER MOD Single : C 597 SER OG : rot 180:sc= 0 USER MOD Single : C 601 SER OG : rot 100:sc= -1.85 USER MOD Single : C 603 ASN : amide:sc= -0.337 X(o=-0.34,f=-0.24) USER MOD Single : C 607 THR OG1 : rot 180:sc= 0 USER MOD Single : C 609 SER OG : rot 180:sc= -0.437 USER MOD Single : C 610 SER OG : rot 46:sc= -0.257 USER MOD Single : C 612 THR OG1 : rot 180:sc= 0 USER MOD Single : C 614 THR OG1 : rot 180:sc= 0 USER MOD Single : C 618 ASN : amide:sc= -1.25 X(o=-1.3,f=-1.2) USER MOD Single : C 620 SER OG : rot 67:sc= 1.21 USER MOD Single : C 622 ASN : amide:sc= -0.49 X(o=-0.49,f=-0.0067) USER MOD Single : C 629 TYR OH : rot 180:sc= 0 USER MOD Single : C 630 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 636 THR OG1 : rot -19:sc= 0.862 USER MOD Single : C 640 THR OG1 : rot 109:sc= 0.76 USER MOD Single : C 641 CYS SG : rot 30:sc= -5.16! USER MOD ----------------------------------------------------------------- ATOM 56 N VAL C 562 6.695 8.075 -1.026 1.00 0.00 N ATOM 57 CA VAL C 562 6.316 6.888 -0.213 1.00 0.00 C ATOM 58 C VAL C 562 7.537 6.008 0.040 1.00 0.00 C ATOM 59 O VAL C 562 8.617 6.256 -0.459 1.00 0.00 O ATOM 60 CB VAL C 562 5.256 6.066 -0.954 1.00 0.00 C ATOM 61 CG1 VAL C 562 3.870 6.443 -0.438 1.00 0.00 C ATOM 62 CG2 VAL C 562 5.336 6.339 -2.461 1.00 0.00 C ATOM 0 HA VAL C 562 5.916 7.235 0.740 1.00 0.00 H new ATOM 0 HB VAL C 562 5.437 5.006 -0.776 1.00 0.00 H new ATOM 0 HG11 VAL C 562 3.115 5.859 -0.964 1.00 0.00 H new ATOM 0 HG12 VAL C 562 3.810 6.235 0.630 1.00 0.00 H new ATOM 0 HG13 VAL C 562 3.694 7.505 -0.611 1.00 0.00 H new ATOM 0 HG21 VAL C 562 4.579 5.750 -2.978 1.00 0.00 H new ATOM 0 HG22 VAL C 562 5.162 7.399 -2.649 1.00 0.00 H new ATOM 0 HG23 VAL C 562 6.324 6.063 -2.829 1.00 0.00 H new ATOM 72 N SER C 563 7.360 4.975 0.813 1.00 0.00 N ATOM 73 CA SER C 563 8.492 4.055 1.113 1.00 0.00 C ATOM 74 C SER C 563 7.929 2.719 1.599 1.00 0.00 C ATOM 75 O SER C 563 6.805 2.642 2.052 1.00 0.00 O ATOM 76 CB SER C 563 9.373 4.665 2.203 1.00 0.00 C ATOM 77 OG SER C 563 10.318 5.544 1.606 1.00 0.00 O ATOM 0 H SER C 563 6.474 4.726 1.253 1.00 0.00 H new ATOM 0 HA SER C 563 9.090 3.900 0.215 1.00 0.00 H new ATOM 0 HB2 SER C 563 8.759 5.207 2.922 1.00 0.00 H new ATOM 0 HB3 SER C 563 9.888 3.878 2.753 1.00 0.00 H new ATOM 0 HG SER C 563 9.959 5.885 0.760 1.00 0.00 H new ATOM 83 N ALA C 564 8.692 1.666 1.506 1.00 0.00 N ATOM 84 CA ALA C 564 8.182 0.344 1.967 1.00 0.00 C ATOM 85 C ALA C 564 9.297 -0.417 2.688 1.00 0.00 C ATOM 86 O ALA C 564 9.985 -1.232 2.104 1.00 0.00 O ATOM 87 CB ALA C 564 7.706 -0.470 0.762 1.00 0.00 C ATOM 0 H ALA C 564 9.641 1.662 1.133 1.00 0.00 H new ATOM 0 HA ALA C 564 7.349 0.500 2.653 1.00 0.00 H new ATOM 0 HB1 ALA C 564 7.333 -1.437 1.100 1.00 0.00 H new ATOM 0 HB2 ALA C 564 6.907 0.068 0.252 1.00 0.00 H new ATOM 0 HB3 ALA C 564 8.538 -0.622 0.074 1.00 0.00 H new ATOM 93 N VAL C 565 9.475 -0.162 3.954 1.00 0.00 N ATOM 94 CA VAL C 565 10.537 -0.874 4.717 1.00 0.00 C ATOM 95 C VAL C 565 10.031 -2.262 5.097 1.00 0.00 C ATOM 96 O VAL C 565 8.851 -2.535 5.018 1.00 0.00 O ATOM 97 CB VAL C 565 10.856 -0.100 5.992 1.00 0.00 C ATOM 98 CG1 VAL C 565 12.283 -0.419 6.442 1.00 0.00 C ATOM 99 CG2 VAL C 565 10.730 1.399 5.719 1.00 0.00 C ATOM 0 H VAL C 565 8.930 0.510 4.494 1.00 0.00 H new ATOM 0 HA VAL C 565 11.434 -0.955 4.103 1.00 0.00 H new ATOM 0 HB VAL C 565 10.157 -0.388 6.777 1.00 0.00 H new ATOM 0 HG11 VAL C 565 12.510 0.135 7.353 1.00 0.00 H new ATOM 0 HG12 VAL C 565 12.373 -1.488 6.635 1.00 0.00 H new ATOM 0 HG13 VAL C 565 12.984 -0.131 5.659 1.00 0.00 H new ATOM 0 HG21 VAL C 565 10.957 1.955 6.629 1.00 0.00 H new ATOM 0 HG22 VAL C 565 11.430 1.686 4.934 1.00 0.00 H new ATOM 0 HG23 VAL C 565 9.713 1.626 5.400 1.00 0.00 H new ATOM 109 N ARG C 566 10.910 -3.131 5.526 1.00 0.00 N ATOM 110 CA ARG C 566 10.473 -4.499 5.931 1.00 0.00 C ATOM 111 C ARG C 566 9.978 -4.448 7.375 1.00 0.00 C ATOM 112 O ARG C 566 10.516 -5.086 8.259 1.00 0.00 O ATOM 113 CB ARG C 566 11.650 -5.470 5.821 1.00 0.00 C ATOM 114 CG ARG C 566 11.676 -6.081 4.419 1.00 0.00 C ATOM 115 CD ARG C 566 12.989 -5.714 3.725 1.00 0.00 C ATOM 116 NE ARG C 566 12.718 -4.725 2.643 1.00 0.00 N ATOM 117 CZ ARG C 566 12.699 -5.111 1.396 1.00 0.00 C ATOM 118 NH1 ARG C 566 13.628 -4.707 0.574 1.00 0.00 N ATOM 119 NH2 ARG C 566 11.752 -5.902 0.973 1.00 0.00 N ATOM 0 H ARG C 566 11.910 -2.952 5.613 1.00 0.00 H new ATOM 0 HA ARG C 566 9.671 -4.842 5.277 1.00 0.00 H new ATOM 0 HB2 ARG C 566 12.586 -4.948 6.019 1.00 0.00 H new ATOM 0 HB3 ARG C 566 11.558 -6.256 6.571 1.00 0.00 H new ATOM 0 HG2 ARG C 566 11.576 -7.165 4.481 1.00 0.00 H new ATOM 0 HG3 ARG C 566 10.830 -5.716 3.836 1.00 0.00 H new ATOM 0 HD2 ARG C 566 13.690 -5.296 4.447 1.00 0.00 H new ATOM 0 HD3 ARG C 566 13.455 -6.607 3.308 1.00 0.00 H new ATOM 0 HE ARG C 566 12.547 -3.747 2.877 1.00 0.00 H new ATOM 0 HH11 ARG C 566 14.369 -4.090 0.906 1.00 0.00 H new ATOM 0 HH12 ARG C 566 13.613 -5.009 -0.400 1.00 0.00 H new ATOM 0 HH21 ARG C 566 11.027 -6.219 1.616 1.00 0.00 H new ATOM 0 HH22 ARG C 566 11.737 -6.204 -0.001 1.00 0.00 H new ATOM 133 N GLY C 567 8.954 -3.682 7.605 1.00 0.00 N ATOM 134 CA GLY C 567 8.380 -3.544 8.968 1.00 0.00 C ATOM 135 C GLY C 567 8.393 -4.901 9.676 1.00 0.00 C ATOM 136 O GLY C 567 8.398 -5.940 9.048 1.00 0.00 O ATOM 0 H GLY C 567 8.479 -3.133 6.889 1.00 0.00 H new ATOM 0 HA2 GLY C 567 8.955 -2.818 9.543 1.00 0.00 H new ATOM 0 HA3 GLY C 567 7.360 -3.166 8.906 1.00 0.00 H new ATOM 140 N GLU C 568 8.410 -4.899 10.982 1.00 0.00 N ATOM 141 CA GLU C 568 8.433 -6.186 11.734 1.00 0.00 C ATOM 142 C GLU C 568 7.426 -7.165 11.123 1.00 0.00 C ATOM 143 O GLU C 568 6.623 -6.805 10.287 1.00 0.00 O ATOM 144 CB GLU C 568 8.069 -5.927 13.197 1.00 0.00 C ATOM 145 CG GLU C 568 9.340 -5.627 13.994 1.00 0.00 C ATOM 146 CD GLU C 568 8.970 -4.928 15.302 1.00 0.00 C ATOM 147 OE1 GLU C 568 7.786 -4.794 15.566 1.00 0.00 O ATOM 148 OE2 GLU C 568 9.876 -4.537 16.019 1.00 0.00 O ATOM 0 H GLU C 568 8.409 -4.059 11.561 1.00 0.00 H new ATOM 0 HA GLU C 568 9.432 -6.618 11.676 1.00 0.00 H new ATOM 0 HB2 GLU C 568 7.376 -5.088 13.267 1.00 0.00 H new ATOM 0 HB3 GLU C 568 7.561 -6.796 13.616 1.00 0.00 H new ATOM 0 HG2 GLU C 568 9.877 -6.552 14.203 1.00 0.00 H new ATOM 0 HG3 GLU C 568 10.008 -4.996 13.409 1.00 0.00 H new ATOM 155 N GLU C 569 7.466 -8.402 11.539 1.00 0.00 N ATOM 156 CA GLU C 569 6.514 -9.408 10.988 1.00 0.00 C ATOM 157 C GLU C 569 6.055 -10.340 12.111 1.00 0.00 C ATOM 158 O GLU C 569 6.221 -10.048 13.279 1.00 0.00 O ATOM 159 CB GLU C 569 7.212 -10.226 9.899 1.00 0.00 C ATOM 160 CG GLU C 569 8.012 -9.291 8.991 1.00 0.00 C ATOM 161 CD GLU C 569 8.759 -10.114 7.940 1.00 0.00 C ATOM 162 OE1 GLU C 569 9.780 -10.687 8.282 1.00 0.00 O ATOM 163 OE2 GLU C 569 8.297 -10.158 6.812 1.00 0.00 O ATOM 0 H GLU C 569 8.118 -8.759 12.237 1.00 0.00 H new ATOM 0 HA GLU C 569 5.650 -8.898 10.562 1.00 0.00 H new ATOM 0 HB2 GLU C 569 7.874 -10.964 10.352 1.00 0.00 H new ATOM 0 HB3 GLU C 569 6.475 -10.776 9.314 1.00 0.00 H new ATOM 0 HG2 GLU C 569 7.344 -8.581 8.504 1.00 0.00 H new ATOM 0 HG3 GLU C 569 8.719 -8.710 9.583 1.00 0.00 H new ATOM 170 N TRP C 570 5.480 -11.462 11.771 1.00 0.00 N ATOM 171 CA TRP C 570 5.016 -12.408 12.825 1.00 0.00 C ATOM 172 C TRP C 570 5.304 -13.849 12.386 1.00 0.00 C ATOM 173 O TRP C 570 6.416 -14.324 12.495 1.00 0.00 O ATOM 174 CB TRP C 570 3.513 -12.220 13.050 1.00 0.00 C ATOM 175 CG TRP C 570 3.251 -10.833 13.542 1.00 0.00 C ATOM 176 CD1 TRP C 570 3.463 -10.404 14.807 1.00 0.00 C ATOM 177 CD2 TRP C 570 2.731 -9.690 12.803 1.00 0.00 C ATOM 178 NE1 TRP C 570 3.108 -9.069 14.892 1.00 0.00 N ATOM 179 CE2 TRP C 570 2.651 -8.584 13.683 1.00 0.00 C ATOM 180 CE3 TRP C 570 2.326 -9.508 11.469 1.00 0.00 C ATOM 181 CZ2 TRP C 570 2.185 -7.341 13.253 1.00 0.00 C ATOM 182 CZ3 TRP C 570 1.857 -8.257 11.033 1.00 0.00 C ATOM 183 CH2 TRP C 570 1.786 -7.177 11.923 1.00 0.00 C ATOM 0 H TRP C 570 5.312 -11.764 10.811 1.00 0.00 H new ATOM 0 HA TRP C 570 5.546 -12.208 13.756 1.00 0.00 H new ATOM 0 HB2 TRP C 570 2.971 -12.396 12.121 1.00 0.00 H new ATOM 0 HB3 TRP C 570 3.149 -12.949 13.774 1.00 0.00 H new ATOM 0 HD1 TRP C 570 3.847 -11.005 15.618 1.00 0.00 H new ATOM 0 HE1 TRP C 570 3.176 -8.512 15.744 1.00 0.00 H new ATOM 0 HE3 TRP C 570 2.376 -10.334 10.775 1.00 0.00 H new ATOM 0 HZ2 TRP C 570 2.133 -6.511 13.943 1.00 0.00 H new ATOM 0 HZ3 TRP C 570 1.549 -8.127 10.006 1.00 0.00 H new ATOM 0 HH2 TRP C 570 1.423 -6.219 11.582 1.00 0.00 H new ATOM 194 N ALA C 571 4.317 -14.552 11.894 1.00 0.00 N ATOM 195 CA ALA C 571 4.549 -15.957 11.459 1.00 0.00 C ATOM 196 C ALA C 571 3.710 -16.252 10.214 1.00 0.00 C ATOM 197 O ALA C 571 4.227 -16.391 9.124 1.00 0.00 O ATOM 198 CB ALA C 571 4.140 -16.905 12.585 1.00 0.00 C ATOM 0 H ALA C 571 3.362 -14.212 11.776 1.00 0.00 H new ATOM 0 HA ALA C 571 5.604 -16.098 11.225 1.00 0.00 H new ATOM 0 HB1 ALA C 571 4.308 -17.936 12.272 1.00 0.00 H new ATOM 0 HB2 ALA C 571 4.736 -16.694 13.473 1.00 0.00 H new ATOM 0 HB3 ALA C 571 3.084 -16.763 12.815 1.00 0.00 H new ATOM 204 N ASP C 572 2.417 -16.350 10.369 1.00 0.00 N ATOM 205 CA ASP C 572 1.545 -16.638 9.194 1.00 0.00 C ATOM 206 C ASP C 572 1.315 -15.350 8.402 1.00 0.00 C ATOM 207 O ASP C 572 0.808 -15.371 7.298 1.00 0.00 O ATOM 208 CB ASP C 572 0.201 -17.185 9.681 1.00 0.00 C ATOM 209 CG ASP C 572 0.441 -18.338 10.656 1.00 0.00 C ATOM 210 OD1 ASP C 572 0.845 -18.067 11.775 1.00 0.00 O ATOM 211 OD2 ASP C 572 0.217 -19.473 10.268 1.00 0.00 O ATOM 0 H ASP C 572 1.927 -16.243 11.257 1.00 0.00 H new ATOM 0 HA ASP C 572 2.028 -17.376 8.554 1.00 0.00 H new ATOM 0 HB2 ASP C 572 -0.369 -16.395 10.169 1.00 0.00 H new ATOM 0 HB3 ASP C 572 -0.392 -17.529 8.834 1.00 0.00 H new ATOM 216 N ARG C 573 1.686 -14.228 8.955 1.00 0.00 N ATOM 217 CA ARG C 573 1.489 -12.938 8.231 1.00 0.00 C ATOM 218 C ARG C 573 2.662 -12.006 8.536 1.00 0.00 C ATOM 219 O ARG C 573 3.200 -12.007 9.625 1.00 0.00 O ATOM 220 CB ARG C 573 0.180 -12.265 8.673 1.00 0.00 C ATOM 221 CG ARG C 573 -0.520 -13.106 9.748 1.00 0.00 C ATOM 222 CD ARG C 573 -1.600 -12.266 10.432 1.00 0.00 C ATOM 223 NE ARG C 573 -0.993 -11.496 11.554 1.00 0.00 N ATOM 224 CZ ARG C 573 -1.662 -11.324 12.662 1.00 0.00 C ATOM 225 NH1 ARG C 573 -2.063 -12.358 13.350 1.00 0.00 N ATOM 226 NH2 ARG C 573 -1.930 -10.117 13.081 1.00 0.00 N ATOM 0 H ARG C 573 2.117 -14.148 9.876 1.00 0.00 H new ATOM 0 HA ARG C 573 1.437 -13.139 7.161 1.00 0.00 H new ATOM 0 HB2 ARG C 573 0.390 -11.269 9.062 1.00 0.00 H new ATOM 0 HB3 ARG C 573 -0.479 -12.140 7.814 1.00 0.00 H new ATOM 0 HG2 ARG C 573 -0.965 -13.993 9.298 1.00 0.00 H new ATOM 0 HG3 ARG C 573 0.206 -13.452 10.483 1.00 0.00 H new ATOM 0 HD2 ARG C 573 -2.055 -11.585 9.713 1.00 0.00 H new ATOM 0 HD3 ARG C 573 -2.394 -12.911 10.807 1.00 0.00 H new ATOM 0 HE ARG C 573 -0.056 -11.104 11.457 1.00 0.00 H new ATOM 0 HH11 ARG C 573 -1.854 -13.301 13.022 1.00 0.00 H new ATOM 0 HH12 ARG C 573 -2.586 -12.223 14.216 1.00 0.00 H new ATOM 0 HH21 ARG C 573 -1.617 -9.309 12.543 1.00 0.00 H new ATOM 0 HH22 ARG C 573 -2.453 -9.982 13.946 1.00 0.00 H new ATOM 240 N PHE C 574 3.065 -11.210 7.583 1.00 0.00 N ATOM 241 CA PHE C 574 4.204 -10.280 7.822 1.00 0.00 C ATOM 242 C PHE C 574 3.689 -8.840 7.846 1.00 0.00 C ATOM 243 O PHE C 574 2.629 -8.541 7.333 1.00 0.00 O ATOM 244 CB PHE C 574 5.235 -10.436 6.704 1.00 0.00 C ATOM 245 CG PHE C 574 4.630 -9.996 5.392 1.00 0.00 C ATOM 246 CD1 PHE C 574 3.910 -10.908 4.613 1.00 0.00 C ATOM 247 CD2 PHE C 574 4.791 -8.676 4.956 1.00 0.00 C ATOM 248 CE1 PHE C 574 3.349 -10.501 3.397 1.00 0.00 C ATOM 249 CE2 PHE C 574 4.230 -8.267 3.740 1.00 0.00 C ATOM 250 CZ PHE C 574 3.509 -9.180 2.960 1.00 0.00 C ATOM 0 H PHE C 574 2.655 -11.164 6.650 1.00 0.00 H new ATOM 0 HA PHE C 574 4.670 -10.515 8.779 1.00 0.00 H new ATOM 0 HB2 PHE C 574 6.120 -9.840 6.926 1.00 0.00 H new ATOM 0 HB3 PHE C 574 5.559 -11.475 6.637 1.00 0.00 H new ATOM 0 HD1 PHE C 574 3.787 -11.927 4.950 1.00 0.00 H new ATOM 0 HD2 PHE C 574 5.348 -7.973 5.557 1.00 0.00 H new ATOM 0 HE1 PHE C 574 2.793 -11.205 2.796 1.00 0.00 H new ATOM 0 HE2 PHE C 574 4.353 -7.248 3.404 1.00 0.00 H new ATOM 0 HZ PHE C 574 3.076 -8.865 2.022 1.00 0.00 H new ATOM 260 N ASN C 575 4.429 -7.944 8.439 1.00 0.00 N ATOM 261 CA ASN C 575 3.979 -6.525 8.495 1.00 0.00 C ATOM 262 C ASN C 575 4.960 -5.646 7.720 1.00 0.00 C ATOM 263 O ASN C 575 6.022 -6.081 7.323 1.00 0.00 O ATOM 264 CB ASN C 575 3.932 -6.059 9.951 1.00 0.00 C ATOM 265 CG ASN C 575 2.839 -5.000 10.113 1.00 0.00 C ATOM 266 OD1 ASN C 575 2.135 -4.689 9.172 1.00 0.00 O ATOM 267 ND2 ASN C 575 2.667 -4.428 11.273 1.00 0.00 N ATOM 0 H ASN C 575 5.326 -8.133 8.887 1.00 0.00 H new ATOM 0 HA ASN C 575 2.986 -6.446 8.052 1.00 0.00 H new ATOM 0 HB2 ASN C 575 3.733 -6.905 10.609 1.00 0.00 H new ATOM 0 HB3 ASN C 575 4.898 -5.648 10.244 1.00 0.00 H new ATOM 0 HD21 ASN C 575 1.942 -3.720 11.390 1.00 0.00 H new ATOM 0 HD22 ASN C 575 3.258 -4.689 12.063 1.00 0.00 H new ATOM 274 N VAL C 576 4.613 -4.408 7.510 1.00 0.00 N ATOM 275 CA VAL C 576 5.523 -3.493 6.770 1.00 0.00 C ATOM 276 C VAL C 576 5.307 -2.063 7.258 1.00 0.00 C ATOM 277 O VAL C 576 4.266 -1.724 7.788 1.00 0.00 O ATOM 278 CB VAL C 576 5.221 -3.564 5.273 1.00 0.00 C ATOM 279 CG1 VAL C 576 6.422 -3.056 4.477 1.00 0.00 C ATOM 280 CG2 VAL C 576 4.933 -5.011 4.877 1.00 0.00 C ATOM 0 H VAL C 576 3.736 -3.990 7.820 1.00 0.00 H new ATOM 0 HA VAL C 576 6.556 -3.792 6.946 1.00 0.00 H new ATOM 0 HB VAL C 576 4.352 -2.943 5.056 1.00 0.00 H new ATOM 0 HG11 VAL C 576 6.201 -3.109 3.411 1.00 0.00 H new ATOM 0 HG12 VAL C 576 6.631 -2.022 4.753 1.00 0.00 H new ATOM 0 HG13 VAL C 576 7.293 -3.674 4.698 1.00 0.00 H new ATOM 0 HG21 VAL C 576 4.718 -5.060 3.810 1.00 0.00 H new ATOM 0 HG22 VAL C 576 5.802 -5.629 5.101 1.00 0.00 H new ATOM 0 HG23 VAL C 576 4.073 -5.377 5.438 1.00 0.00 H new ATOM 290 N THR C 577 6.281 -1.222 7.081 1.00 0.00 N ATOM 291 CA THR C 577 6.143 0.192 7.529 1.00 0.00 C ATOM 292 C THR C 577 6.342 1.127 6.334 1.00 0.00 C ATOM 293 O THR C 577 7.449 1.362 5.895 1.00 0.00 O ATOM 294 CB THR C 577 7.198 0.496 8.595 1.00 0.00 C ATOM 295 OG1 THR C 577 6.878 -0.206 9.789 1.00 0.00 O ATOM 296 CG2 THR C 577 7.224 1.999 8.876 1.00 0.00 C ATOM 0 H THR C 577 7.173 -1.451 6.643 1.00 0.00 H new ATOM 0 HA THR C 577 5.149 0.344 7.949 1.00 0.00 H new ATOM 0 HB THR C 577 8.178 0.179 8.238 1.00 0.00 H new ATOM 0 HG1 THR C 577 7.554 -0.014 10.472 1.00 0.00 H new ATOM 0 HG21 THR C 577 7.976 2.214 9.635 1.00 0.00 H new ATOM 0 HG22 THR C 577 7.469 2.536 7.960 1.00 0.00 H new ATOM 0 HG23 THR C 577 6.245 2.319 9.233 1.00 0.00 H new ATOM 304 N TYR C 578 5.276 1.662 5.802 1.00 0.00 N ATOM 305 CA TYR C 578 5.408 2.580 4.635 1.00 0.00 C ATOM 306 C TYR C 578 5.597 4.015 5.132 1.00 0.00 C ATOM 307 O TYR C 578 4.894 4.475 6.011 1.00 0.00 O ATOM 308 CB TYR C 578 4.143 2.496 3.776 1.00 0.00 C ATOM 309 CG TYR C 578 4.022 1.110 3.189 1.00 0.00 C ATOM 310 CD1 TYR C 578 3.348 0.106 3.897 1.00 0.00 C ATOM 311 CD2 TYR C 578 4.586 0.826 1.939 1.00 0.00 C ATOM 312 CE1 TYR C 578 3.236 -1.179 3.353 1.00 0.00 C ATOM 313 CE2 TYR C 578 4.474 -0.459 1.395 1.00 0.00 C ATOM 314 CZ TYR C 578 3.800 -1.462 2.103 1.00 0.00 C ATOM 315 OH TYR C 578 3.689 -2.728 1.566 1.00 0.00 O ATOM 0 H TYR C 578 4.321 1.503 6.125 1.00 0.00 H new ATOM 0 HA TYR C 578 6.272 2.288 4.038 1.00 0.00 H new ATOM 0 HB2 TYR C 578 3.265 2.724 4.380 1.00 0.00 H new ATOM 0 HB3 TYR C 578 4.183 3.238 2.978 1.00 0.00 H new ATOM 0 HD1 TYR C 578 2.915 0.324 4.862 1.00 0.00 H new ATOM 0 HD2 TYR C 578 5.108 1.599 1.394 1.00 0.00 H new ATOM 0 HE1 TYR C 578 2.714 -1.952 3.898 1.00 0.00 H new ATOM 0 HE2 TYR C 578 4.907 -0.677 0.430 1.00 0.00 H new ATOM 0 HH TYR C 578 4.135 -2.753 0.693 1.00 0.00 H new ATOM 325 N SER C 579 6.542 4.725 4.578 1.00 0.00 N ATOM 326 CA SER C 579 6.780 6.129 5.023 1.00 0.00 C ATOM 327 C SER C 579 6.456 7.097 3.881 1.00 0.00 C ATOM 328 O SER C 579 6.642 6.790 2.720 1.00 0.00 O ATOM 329 CB SER C 579 8.244 6.292 5.429 1.00 0.00 C ATOM 330 OG SER C 579 8.407 5.875 6.778 1.00 0.00 O ATOM 0 H SER C 579 7.160 4.394 3.837 1.00 0.00 H new ATOM 0 HA SER C 579 6.137 6.351 5.875 1.00 0.00 H new ATOM 0 HB2 SER C 579 8.883 5.700 4.774 1.00 0.00 H new ATOM 0 HB3 SER C 579 8.550 7.332 5.318 1.00 0.00 H new ATOM 0 HG SER C 579 9.346 5.977 7.041 1.00 0.00 H new ATOM 336 N VAL C 580 5.967 8.264 4.206 1.00 0.00 N ATOM 337 CA VAL C 580 5.623 9.257 3.151 1.00 0.00 C ATOM 338 C VAL C 580 6.273 10.602 3.481 1.00 0.00 C ATOM 339 O VAL C 580 6.573 10.894 4.621 1.00 0.00 O ATOM 340 CB VAL C 580 4.104 9.421 3.102 1.00 0.00 C ATOM 341 CG1 VAL C 580 3.730 10.649 2.271 1.00 0.00 C ATOM 342 CG2 VAL C 580 3.494 8.177 2.468 1.00 0.00 C ATOM 0 H VAL C 580 5.791 8.572 5.162 1.00 0.00 H new ATOM 0 HA VAL C 580 5.989 8.911 2.184 1.00 0.00 H new ATOM 0 HB VAL C 580 3.723 9.553 4.115 1.00 0.00 H new ATOM 0 HG11 VAL C 580 2.645 10.754 2.244 1.00 0.00 H new ATOM 0 HG12 VAL C 580 4.170 11.540 2.720 1.00 0.00 H new ATOM 0 HG13 VAL C 580 4.108 10.530 1.256 1.00 0.00 H new ATOM 0 HG21 VAL C 580 2.410 8.283 2.428 1.00 0.00 H new ATOM 0 HG22 VAL C 580 3.884 8.055 1.458 1.00 0.00 H new ATOM 0 HG23 VAL C 580 3.751 7.301 3.064 1.00 0.00 H new ATOM 352 N SER C 581 6.490 11.427 2.492 1.00 0.00 N ATOM 353 CA SER C 581 7.116 12.753 2.756 1.00 0.00 C ATOM 354 C SER C 581 6.034 13.831 2.722 1.00 0.00 C ATOM 355 O SER C 581 6.188 14.860 2.095 1.00 0.00 O ATOM 356 CB SER C 581 8.166 13.048 1.683 1.00 0.00 C ATOM 357 OG SER C 581 9.030 11.927 1.549 1.00 0.00 O ATOM 0 H SER C 581 6.261 11.240 1.516 1.00 0.00 H new ATOM 0 HA SER C 581 7.596 12.744 3.734 1.00 0.00 H new ATOM 0 HB2 SER C 581 7.680 13.262 0.731 1.00 0.00 H new ATOM 0 HB3 SER C 581 8.740 13.934 1.954 1.00 0.00 H new ATOM 0 HG SER C 581 9.703 12.113 0.861 1.00 0.00 H new ATOM 392 N SER C 585 -1.295 14.418 -0.561 1.00 0.00 N ATOM 393 CA SER C 585 -2.417 13.827 -1.342 1.00 0.00 C ATOM 394 C SER C 585 -2.199 12.318 -1.471 1.00 0.00 C ATOM 395 O SER C 585 -1.476 11.859 -2.334 1.00 0.00 O ATOM 396 CB SER C 585 -2.461 14.458 -2.733 1.00 0.00 C ATOM 397 OG SER C 585 -2.549 15.872 -2.605 1.00 0.00 O ATOM 0 HA SER C 585 -3.360 14.019 -0.830 1.00 0.00 H new ATOM 0 HB2 SER C 585 -1.568 14.187 -3.296 1.00 0.00 H new ATOM 0 HB3 SER C 585 -3.317 14.078 -3.291 1.00 0.00 H new ATOM 0 HG SER C 585 -1.948 16.174 -1.892 1.00 0.00 H new ATOM 403 N TRP C 586 -2.813 11.544 -0.622 1.00 0.00 N ATOM 404 CA TRP C 586 -2.634 10.067 -0.699 1.00 0.00 C ATOM 405 C TRP C 586 -3.313 9.509 -1.946 1.00 0.00 C ATOM 406 O TRP C 586 -4.495 9.687 -2.162 1.00 0.00 O ATOM 407 CB TRP C 586 -3.233 9.406 0.541 1.00 0.00 C ATOM 408 CG TRP C 586 -2.170 9.234 1.573 1.00 0.00 C ATOM 409 CD1 TRP C 586 -2.039 9.969 2.701 1.00 0.00 C ATOM 410 CD2 TRP C 586 -1.083 8.267 1.587 1.00 0.00 C ATOM 411 NE1 TRP C 586 -0.938 9.507 3.403 1.00 0.00 N ATOM 412 CE2 TRP C 586 -0.321 8.462 2.758 1.00 0.00 C ATOM 413 CE3 TRP C 586 -0.691 7.249 0.704 1.00 0.00 C ATOM 414 CZ2 TRP C 586 0.789 7.677 3.048 1.00 0.00 C ATOM 415 CZ3 TRP C 586 0.430 6.453 0.990 1.00 0.00 C ATOM 416 CH2 TRP C 586 1.168 6.666 2.162 1.00 0.00 C ATOM 0 H TRP C 586 -3.431 11.869 0.122 1.00 0.00 H new ATOM 0 HA TRP C 586 -1.567 9.852 -0.750 1.00 0.00 H new ATOM 0 HB2 TRP C 586 -4.044 10.017 0.937 1.00 0.00 H new ATOM 0 HB3 TRP C 586 -3.662 8.438 0.280 1.00 0.00 H new ATOM 0 HD1 TRP C 586 -2.685 10.780 3.004 1.00 0.00 H new ATOM 0 HE1 TRP C 586 -0.623 9.896 4.292 1.00 0.00 H new ATOM 0 HE3 TRP C 586 -1.255 7.077 -0.201 1.00 0.00 H new ATOM 0 HZ2 TRP C 586 1.354 7.848 3.952 1.00 0.00 H new ATOM 0 HZ3 TRP C 586 0.725 5.673 0.304 1.00 0.00 H new ATOM 0 HH2 TRP C 586 2.028 6.050 2.380 1.00 0.00 H new ATOM 427 N VAL C 587 -2.565 8.817 -2.760 1.00 0.00 N ATOM 428 CA VAL C 587 -3.143 8.220 -3.994 1.00 0.00 C ATOM 429 C VAL C 587 -2.228 7.091 -4.471 1.00 0.00 C ATOM 430 O VAL C 587 -2.114 6.828 -5.652 1.00 0.00 O ATOM 431 CB VAL C 587 -3.250 9.281 -5.090 1.00 0.00 C ATOM 432 CG1 VAL C 587 -4.035 8.709 -6.272 1.00 0.00 C ATOM 433 CG2 VAL C 587 -3.980 10.512 -4.545 1.00 0.00 C ATOM 0 H VAL C 587 -1.570 8.639 -2.621 1.00 0.00 H new ATOM 0 HA VAL C 587 -4.139 7.832 -3.778 1.00 0.00 H new ATOM 0 HB VAL C 587 -2.250 9.568 -5.416 1.00 0.00 H new ATOM 0 HG11 VAL C 587 -4.113 9.463 -7.056 1.00 0.00 H new ATOM 0 HG12 VAL C 587 -3.518 7.832 -6.662 1.00 0.00 H new ATOM 0 HG13 VAL C 587 -5.034 8.424 -5.942 1.00 0.00 H new ATOM 0 HG21 VAL C 587 -4.055 11.267 -5.328 1.00 0.00 H new ATOM 0 HG22 VAL C 587 -4.980 10.227 -4.219 1.00 0.00 H new ATOM 0 HG23 VAL C 587 -3.425 10.920 -3.700 1.00 0.00 H new ATOM 443 N VAL C 588 -1.572 6.420 -3.561 1.00 0.00 N ATOM 444 CA VAL C 588 -0.664 5.311 -3.967 1.00 0.00 C ATOM 445 C VAL C 588 -1.483 4.071 -4.261 1.00 0.00 C ATOM 446 O VAL C 588 -2.500 3.825 -3.643 1.00 0.00 O ATOM 447 CB VAL C 588 0.287 4.954 -2.830 1.00 0.00 C ATOM 448 CG1 VAL C 588 -0.538 4.637 -1.586 1.00 0.00 C ATOM 449 CG2 VAL C 588 1.093 3.705 -3.218 1.00 0.00 C ATOM 0 H VAL C 588 -1.626 6.592 -2.557 1.00 0.00 H new ATOM 0 HA VAL C 588 -0.104 5.639 -4.843 1.00 0.00 H new ATOM 0 HB VAL C 588 0.964 5.786 -2.636 1.00 0.00 H new ATOM 0 HG11 VAL C 588 0.129 4.379 -0.763 1.00 0.00 H new ATOM 0 HG12 VAL C 588 -1.133 5.508 -1.312 1.00 0.00 H new ATOM 0 HG13 VAL C 588 -1.200 3.796 -1.793 1.00 0.00 H new ATOM 0 HG21 VAL C 588 1.775 3.446 -2.408 1.00 0.00 H new ATOM 0 HG22 VAL C 588 0.411 2.874 -3.399 1.00 0.00 H new ATOM 0 HG23 VAL C 588 1.666 3.908 -4.123 1.00 0.00 H new ATOM 459 N THR C 589 -1.025 3.273 -5.172 1.00 0.00 N ATOM 460 CA THR C 589 -1.752 2.021 -5.484 1.00 0.00 C ATOM 461 C THR C 589 -0.911 0.831 -5.015 1.00 0.00 C ATOM 462 O THR C 589 0.175 0.596 -5.503 1.00 0.00 O ATOM 463 CB THR C 589 -1.998 1.924 -6.991 1.00 0.00 C ATOM 464 OG1 THR C 589 -2.659 3.100 -7.437 1.00 0.00 O ATOM 465 CG2 THR C 589 -2.869 0.703 -7.291 1.00 0.00 C ATOM 0 H THR C 589 -0.177 3.433 -5.716 1.00 0.00 H new ATOM 0 HA THR C 589 -2.714 2.016 -4.972 1.00 0.00 H new ATOM 0 HB THR C 589 -1.044 1.823 -7.509 1.00 0.00 H new ATOM 0 HG1 THR C 589 -2.816 3.041 -8.403 1.00 0.00 H new ATOM 0 HG21 THR C 589 -3.043 0.635 -8.365 1.00 0.00 H new ATOM 0 HG22 THR C 589 -2.362 -0.199 -6.948 1.00 0.00 H new ATOM 0 HG23 THR C 589 -3.824 0.801 -6.774 1.00 0.00 H new ATOM 473 N LEU C 590 -1.401 0.085 -4.063 1.00 0.00 N ATOM 474 CA LEU C 590 -0.627 -1.081 -3.556 1.00 0.00 C ATOM 475 C LEU C 590 -0.791 -2.258 -4.517 1.00 0.00 C ATOM 476 O LEU C 590 -1.892 -2.645 -4.857 1.00 0.00 O ATOM 477 CB LEU C 590 -1.147 -1.477 -2.173 1.00 0.00 C ATOM 478 CG LEU C 590 -0.484 -0.603 -1.108 1.00 0.00 C ATOM 479 CD1 LEU C 590 -1.545 0.258 -0.421 1.00 0.00 C ATOM 480 CD2 LEU C 590 0.198 -1.496 -0.069 1.00 0.00 C ATOM 0 H LEU C 590 -2.305 0.234 -3.615 1.00 0.00 H new ATOM 0 HA LEU C 590 0.427 -0.813 -3.485 1.00 0.00 H new ATOM 0 HB2 LEU C 590 -2.230 -1.359 -2.133 1.00 0.00 H new ATOM 0 HB3 LEU C 590 -0.934 -2.528 -1.980 1.00 0.00 H new ATOM 0 HG LEU C 590 0.258 0.042 -1.578 1.00 0.00 H new ATOM 0 HD11 LEU C 590 -1.072 0.881 0.338 1.00 0.00 H new ATOM 0 HD12 LEU C 590 -2.032 0.894 -1.160 1.00 0.00 H new ATOM 0 HD13 LEU C 590 -2.288 -0.386 0.049 1.00 0.00 H new ATOM 0 HD21 LEU C 590 0.671 -0.874 0.691 1.00 0.00 H new ATOM 0 HD22 LEU C 590 -0.545 -2.141 0.401 1.00 0.00 H new ATOM 0 HD23 LEU C 590 0.954 -2.110 -0.558 1.00 0.00 H new ATOM 492 N GLY C 591 0.297 -2.830 -4.957 1.00 0.00 N ATOM 493 CA GLY C 591 0.205 -3.983 -5.895 1.00 0.00 C ATOM 494 C GLY C 591 0.584 -5.269 -5.161 1.00 0.00 C ATOM 495 O GLY C 591 1.685 -5.767 -5.287 1.00 0.00 O ATOM 0 H GLY C 591 1.245 -2.548 -4.707 1.00 0.00 H new ATOM 0 HA2 GLY C 591 -0.807 -4.063 -6.292 1.00 0.00 H new ATOM 0 HA3 GLY C 591 0.869 -3.828 -6.745 1.00 0.00 H new ATOM 499 N LEU C 592 -0.321 -5.814 -4.392 1.00 0.00 N ATOM 500 CA LEU C 592 -0.015 -7.062 -3.650 1.00 0.00 C ATOM 501 C LEU C 592 0.203 -8.204 -4.645 1.00 0.00 C ATOM 502 O LEU C 592 0.237 -7.999 -5.842 1.00 0.00 O ATOM 503 CB LEU C 592 -1.187 -7.403 -2.728 1.00 0.00 C ATOM 504 CG LEU C 592 -1.853 -6.122 -2.211 1.00 0.00 C ATOM 505 CD1 LEU C 592 -2.700 -6.452 -0.979 1.00 0.00 C ATOM 506 CD2 LEU C 592 -0.780 -5.098 -1.826 1.00 0.00 C ATOM 0 H LEU C 592 -1.261 -5.444 -4.248 1.00 0.00 H new ATOM 0 HA LEU C 592 0.887 -6.923 -3.055 1.00 0.00 H new ATOM 0 HB2 LEU C 592 -1.917 -8.008 -3.266 1.00 0.00 H new ATOM 0 HB3 LEU C 592 -0.835 -8.001 -1.888 1.00 0.00 H new ATOM 0 HG LEU C 592 -2.486 -5.705 -2.994 1.00 0.00 H new ATOM 0 HD11 LEU C 592 -3.175 -5.543 -0.610 1.00 0.00 H new ATOM 0 HD12 LEU C 592 -3.467 -7.178 -1.249 1.00 0.00 H new ATOM 0 HD13 LEU C 592 -2.062 -6.870 -0.200 1.00 0.00 H new ATOM 0 HD21 LEU C 592 -1.259 -4.190 -1.459 1.00 0.00 H new ATOM 0 HD22 LEU C 592 -0.144 -5.514 -1.045 1.00 0.00 H new ATOM 0 HD23 LEU C 592 -0.173 -4.861 -2.700 1.00 0.00 H new ATOM 518 N ASN C 593 0.352 -9.405 -4.160 1.00 0.00 N ATOM 519 CA ASN C 593 0.569 -10.558 -5.078 1.00 0.00 C ATOM 520 C ASN C 593 -0.780 -11.181 -5.444 1.00 0.00 C ATOM 521 O ASN C 593 -1.822 -10.584 -5.254 1.00 0.00 O ATOM 522 CB ASN C 593 1.444 -11.604 -4.383 1.00 0.00 C ATOM 523 CG ASN C 593 2.736 -10.944 -3.897 1.00 0.00 C ATOM 524 OD1 ASN C 593 2.836 -9.734 -3.860 1.00 0.00 O ATOM 525 ND2 ASN C 593 3.736 -11.694 -3.518 1.00 0.00 N ATOM 0 H ASN C 593 0.333 -9.638 -3.167 1.00 0.00 H new ATOM 0 HA ASN C 593 1.066 -10.213 -5.985 1.00 0.00 H new ATOM 0 HB2 ASN C 593 0.907 -12.042 -3.541 1.00 0.00 H new ATOM 0 HB3 ASN C 593 1.675 -12.417 -5.072 1.00 0.00 H new ATOM 0 HD21 ASN C 593 4.601 -11.264 -3.191 1.00 0.00 H new ATOM 0 HD22 ASN C 593 3.652 -12.710 -3.549 1.00 0.00 H new ATOM 532 N GLY C 594 -0.771 -12.376 -5.970 1.00 0.00 N ATOM 533 CA GLY C 594 -2.053 -13.034 -6.349 1.00 0.00 C ATOM 534 C GLY C 594 -2.575 -13.860 -5.173 1.00 0.00 C ATOM 535 O GLY C 594 -2.590 -15.074 -5.214 1.00 0.00 O ATOM 0 H GLY C 594 0.069 -12.925 -6.153 1.00 0.00 H new ATOM 0 HA2 GLY C 594 -2.789 -12.282 -6.633 1.00 0.00 H new ATOM 0 HA3 GLY C 594 -1.901 -13.675 -7.217 1.00 0.00 H new ATOM 539 N GLY C 595 -3.002 -13.212 -4.124 1.00 0.00 N ATOM 540 CA GLY C 595 -3.523 -13.962 -2.946 1.00 0.00 C ATOM 541 C GLY C 595 -3.273 -13.153 -1.673 1.00 0.00 C ATOM 542 O GLY C 595 -4.006 -13.252 -0.709 1.00 0.00 O ATOM 0 H GLY C 595 -3.013 -12.196 -4.032 1.00 0.00 H new ATOM 0 HA2 GLY C 595 -4.590 -14.151 -3.065 1.00 0.00 H new ATOM 0 HA3 GLY C 595 -3.033 -14.933 -2.874 1.00 0.00 H new ATOM 546 N GLN C 596 -2.244 -12.351 -1.661 1.00 0.00 N ATOM 547 CA GLN C 596 -1.948 -11.536 -0.450 1.00 0.00 C ATOM 548 C GLN C 596 -3.113 -10.583 -0.177 1.00 0.00 C ATOM 549 O GLN C 596 -3.618 -9.932 -1.070 1.00 0.00 O ATOM 550 CB GLN C 596 -0.670 -10.727 -0.681 1.00 0.00 C ATOM 551 CG GLN C 596 0.549 -11.590 -0.349 1.00 0.00 C ATOM 552 CD GLN C 596 1.751 -10.688 -0.064 1.00 0.00 C ATOM 553 OE1 GLN C 596 2.628 -11.046 0.695 1.00 0.00 O ATOM 554 NE2 GLN C 596 1.828 -9.522 -0.646 1.00 0.00 N ATOM 0 H GLN C 596 -1.595 -12.225 -2.438 1.00 0.00 H new ATOM 0 HA GLN C 596 -1.812 -12.196 0.407 1.00 0.00 H new ATOM 0 HB2 GLN C 596 -0.621 -10.393 -1.717 1.00 0.00 H new ATOM 0 HB3 GLN C 596 -0.676 -9.833 -0.058 1.00 0.00 H new ATOM 0 HG2 GLN C 596 0.338 -12.218 0.517 1.00 0.00 H new ATOM 0 HG3 GLN C 596 0.772 -12.259 -1.181 1.00 0.00 H new ATOM 0 HE21 GLN C 596 1.091 -9.221 -1.284 1.00 0.00 H new ATOM 0 HE22 GLN C 596 2.625 -8.912 -0.463 1.00 0.00 H new ATOM 563 N SER C 597 -3.544 -10.495 1.052 1.00 0.00 N ATOM 564 CA SER C 597 -4.677 -9.584 1.381 1.00 0.00 C ATOM 565 C SER C 597 -4.280 -8.682 2.551 1.00 0.00 C ATOM 566 O SER C 597 -3.340 -8.959 3.270 1.00 0.00 O ATOM 567 CB SER C 597 -5.902 -10.413 1.767 1.00 0.00 C ATOM 568 OG SER C 597 -5.481 -11.700 2.198 1.00 0.00 O ATOM 0 H SER C 597 -3.161 -11.014 1.842 1.00 0.00 H new ATOM 0 HA SER C 597 -4.915 -8.969 0.513 1.00 0.00 H new ATOM 0 HB2 SER C 597 -6.457 -9.914 2.561 1.00 0.00 H new ATOM 0 HB3 SER C 597 -6.577 -10.505 0.916 1.00 0.00 H new ATOM 0 HG SER C 597 -6.264 -12.234 2.448 1.00 0.00 H new ATOM 574 N VAL C 598 -4.990 -7.604 2.749 1.00 0.00 N ATOM 575 CA VAL C 598 -4.652 -6.687 3.873 1.00 0.00 C ATOM 576 C VAL C 598 -5.336 -7.175 5.152 1.00 0.00 C ATOM 577 O VAL C 598 -6.534 -7.375 5.188 1.00 0.00 O ATOM 578 CB VAL C 598 -5.136 -5.274 3.542 1.00 0.00 C ATOM 579 CG1 VAL C 598 -5.014 -4.388 4.782 1.00 0.00 C ATOM 580 CG2 VAL C 598 -4.278 -4.694 2.415 1.00 0.00 C ATOM 0 H VAL C 598 -5.788 -7.320 2.181 1.00 0.00 H new ATOM 0 HA VAL C 598 -3.572 -6.675 4.020 1.00 0.00 H new ATOM 0 HB VAL C 598 -6.178 -5.312 3.225 1.00 0.00 H new ATOM 0 HG11 VAL C 598 -5.359 -3.381 4.545 1.00 0.00 H new ATOM 0 HG12 VAL C 598 -5.624 -4.801 5.586 1.00 0.00 H new ATOM 0 HG13 VAL C 598 -3.972 -4.349 5.100 1.00 0.00 H new ATOM 0 HG21 VAL C 598 -4.621 -3.687 2.178 1.00 0.00 H new ATOM 0 HG22 VAL C 598 -3.236 -4.657 2.733 1.00 0.00 H new ATOM 0 HG23 VAL C 598 -4.365 -5.325 1.530 1.00 0.00 H new ATOM 590 N GLN C 599 -4.584 -7.367 6.201 1.00 0.00 N ATOM 591 CA GLN C 599 -5.193 -7.842 7.476 1.00 0.00 C ATOM 592 C GLN C 599 -5.596 -6.638 8.330 1.00 0.00 C ATOM 593 O GLN C 599 -6.667 -6.604 8.906 1.00 0.00 O ATOM 594 CB GLN C 599 -4.177 -8.692 8.241 1.00 0.00 C ATOM 595 CG GLN C 599 -4.726 -9.018 9.632 1.00 0.00 C ATOM 596 CD GLN C 599 -4.273 -7.944 10.623 1.00 0.00 C ATOM 597 OE1 GLN C 599 -3.296 -7.260 10.392 1.00 0.00 O ATOM 598 NE2 GLN C 599 -4.946 -7.767 11.727 1.00 0.00 N ATOM 0 H GLN C 599 -3.576 -7.216 6.231 1.00 0.00 H new ATOM 0 HA GLN C 599 -6.076 -8.442 7.255 1.00 0.00 H new ATOM 0 HB2 GLN C 599 -3.973 -9.613 7.694 1.00 0.00 H new ATOM 0 HB3 GLN C 599 -3.232 -8.157 8.328 1.00 0.00 H new ATOM 0 HG2 GLN C 599 -5.815 -9.066 9.603 1.00 0.00 H new ATOM 0 HG3 GLN C 599 -4.373 -9.998 9.954 1.00 0.00 H new ATOM 0 HE21 GLN C 599 -5.766 -8.341 11.922 1.00 0.00 H new ATOM 0 HE22 GLN C 599 -4.652 -7.055 12.395 1.00 0.00 H new ATOM 607 N SER C 600 -4.749 -5.650 8.418 1.00 0.00 N ATOM 608 CA SER C 600 -5.088 -4.451 9.237 1.00 0.00 C ATOM 609 C SER C 600 -4.154 -3.297 8.867 1.00 0.00 C ATOM 610 O SER C 600 -3.184 -3.472 8.157 1.00 0.00 O ATOM 611 CB SER C 600 -4.923 -4.784 10.719 1.00 0.00 C ATOM 612 OG SER C 600 -3.540 -4.784 11.050 1.00 0.00 O ATOM 0 H SER C 600 -3.838 -5.620 7.959 1.00 0.00 H new ATOM 0 HA SER C 600 -6.120 -4.159 9.042 1.00 0.00 H new ATOM 0 HB2 SER C 600 -5.455 -4.054 11.329 1.00 0.00 H new ATOM 0 HB3 SER C 600 -5.360 -5.759 10.935 1.00 0.00 H new ATOM 0 HG SER C 600 -3.143 -5.643 10.795 1.00 0.00 H new ATOM 618 N SER C 601 -4.439 -2.116 9.346 1.00 0.00 N ATOM 619 CA SER C 601 -3.569 -0.950 9.025 1.00 0.00 C ATOM 620 C SER C 601 -3.825 0.166 10.041 1.00 0.00 C ATOM 621 O SER C 601 -4.798 0.144 10.768 1.00 0.00 O ATOM 622 CB SER C 601 -3.890 -0.445 7.619 1.00 0.00 C ATOM 623 OG SER C 601 -5.281 -0.606 7.370 1.00 0.00 O ATOM 0 H SER C 601 -5.237 -1.909 9.946 1.00 0.00 H new ATOM 0 HA SER C 601 -2.522 -1.251 9.070 1.00 0.00 H new ATOM 0 HB2 SER C 601 -3.611 0.604 7.524 1.00 0.00 H new ATOM 0 HB3 SER C 601 -3.310 -0.998 6.880 1.00 0.00 H new ATOM 0 HG SER C 601 -5.738 0.251 7.502 1.00 0.00 H new ATOM 629 N TRP C 602 -2.961 1.143 10.097 1.00 0.00 N ATOM 630 CA TRP C 602 -3.161 2.255 11.069 1.00 0.00 C ATOM 631 C TRP C 602 -2.382 3.488 10.607 1.00 0.00 C ATOM 632 O TRP C 602 -1.453 3.393 9.829 1.00 0.00 O ATOM 633 CB TRP C 602 -2.662 1.822 12.449 1.00 0.00 C ATOM 634 CG TRP C 602 -1.170 1.734 12.435 1.00 0.00 C ATOM 635 CD1 TRP C 602 -0.328 2.769 12.663 1.00 0.00 C ATOM 636 CD2 TRP C 602 -0.329 0.571 12.186 1.00 0.00 C ATOM 637 NE1 TRP C 602 0.973 2.316 12.569 1.00 0.00 N ATOM 638 CE2 TRP C 602 1.026 0.969 12.277 1.00 0.00 C ATOM 639 CE3 TRP C 602 -0.607 -0.776 11.891 1.00 0.00 C ATOM 640 CZ2 TRP C 602 2.068 0.061 12.084 1.00 0.00 C ATOM 641 CZ3 TRP C 602 0.440 -1.692 11.696 1.00 0.00 C ATOM 642 CH2 TRP C 602 1.775 -1.274 11.793 1.00 0.00 C ATOM 0 H TRP C 602 -2.128 1.219 9.514 1.00 0.00 H new ATOM 0 HA TRP C 602 -4.222 2.499 11.126 1.00 0.00 H new ATOM 0 HB2 TRP C 602 -2.988 2.536 13.206 1.00 0.00 H new ATOM 0 HB3 TRP C 602 -3.091 0.856 12.716 1.00 0.00 H new ATOM 0 HD1 TRP C 602 -0.625 3.784 12.883 1.00 0.00 H new ATOM 0 HE1 TRP C 602 1.795 2.906 12.700 1.00 0.00 H new ATOM 0 HE3 TRP C 602 -1.632 -1.108 11.814 1.00 0.00 H new ATOM 0 HZ2 TRP C 602 3.095 0.388 12.159 1.00 0.00 H new ATOM 0 HZ3 TRP C 602 0.216 -2.724 11.470 1.00 0.00 H new ATOM 0 HH2 TRP C 602 2.576 -1.983 11.643 1.00 0.00 H new ATOM 653 N ASN C 603 -2.754 4.646 11.083 1.00 0.00 N ATOM 654 CA ASN C 603 -2.036 5.887 10.676 1.00 0.00 C ATOM 655 C ASN C 603 -2.460 6.283 9.260 1.00 0.00 C ATOM 656 O ASN C 603 -1.759 6.996 8.569 1.00 0.00 O ATOM 657 CB ASN C 603 -0.526 5.639 10.706 1.00 0.00 C ATOM 658 CG ASN C 603 0.145 6.674 11.610 1.00 0.00 C ATOM 659 OD1 ASN C 603 0.901 6.327 12.495 1.00 0.00 O ATOM 660 ND2 ASN C 603 -0.101 7.942 11.422 1.00 0.00 N ATOM 0 H ASN C 603 -3.525 4.786 11.736 1.00 0.00 H new ATOM 0 HA ASN C 603 -2.285 6.692 11.368 1.00 0.00 H new ATOM 0 HB2 ASN C 603 -0.319 4.633 11.072 1.00 0.00 H new ATOM 0 HB3 ASN C 603 -0.117 5.702 9.698 1.00 0.00 H new ATOM 0 HD21 ASN C 603 0.342 8.641 12.018 1.00 0.00 H new ATOM 0 HD22 ASN C 603 -0.736 8.234 10.679 1.00 0.00 H new ATOM 667 N ALA C 604 -3.602 5.829 8.822 1.00 0.00 N ATOM 668 CA ALA C 604 -4.068 6.181 7.451 1.00 0.00 C ATOM 669 C ALA C 604 -5.195 5.235 7.033 1.00 0.00 C ATOM 670 O ALA C 604 -5.462 4.246 7.687 1.00 0.00 O ATOM 671 CB ALA C 604 -2.903 6.051 6.468 1.00 0.00 C ATOM 0 H ALA C 604 -4.233 5.229 9.354 1.00 0.00 H new ATOM 0 HA ALA C 604 -4.436 7.207 7.446 1.00 0.00 H new ATOM 0 HB1 ALA C 604 -3.243 6.308 5.465 1.00 0.00 H new ATOM 0 HB2 ALA C 604 -2.100 6.727 6.764 1.00 0.00 H new ATOM 0 HB3 ALA C 604 -2.534 5.025 6.474 1.00 0.00 H new ATOM 677 N ALA C 605 -5.857 5.529 5.949 1.00 0.00 N ATOM 678 CA ALA C 605 -6.965 4.645 5.488 1.00 0.00 C ATOM 679 C ALA C 605 -6.546 3.930 4.202 1.00 0.00 C ATOM 680 O ALA C 605 -5.509 4.211 3.635 1.00 0.00 O ATOM 681 CB ALA C 605 -8.214 5.489 5.220 1.00 0.00 C ATOM 0 H ALA C 605 -5.679 6.344 5.362 1.00 0.00 H new ATOM 0 HA ALA C 605 -7.185 3.906 6.259 1.00 0.00 H new ATOM 0 HB1 ALA C 605 -9.024 4.843 4.883 1.00 0.00 H new ATOM 0 HB2 ALA C 605 -8.513 5.998 6.137 1.00 0.00 H new ATOM 0 HB3 ALA C 605 -7.995 6.228 4.450 1.00 0.00 H new ATOM 687 N LEU C 606 -7.343 3.008 3.738 1.00 0.00 N ATOM 688 CA LEU C 606 -6.986 2.277 2.489 1.00 0.00 C ATOM 689 C LEU C 606 -8.265 1.820 1.782 1.00 0.00 C ATOM 690 O LEU C 606 -9.297 1.645 2.398 1.00 0.00 O ATOM 691 CB LEU C 606 -6.133 1.055 2.839 1.00 0.00 C ATOM 692 CG LEU C 606 -6.974 0.056 3.637 1.00 0.00 C ATOM 693 CD1 LEU C 606 -7.559 -0.998 2.690 1.00 0.00 C ATOM 694 CD2 LEU C 606 -6.094 -0.639 4.682 1.00 0.00 C ATOM 0 H LEU C 606 -8.225 2.729 4.168 1.00 0.00 H new ATOM 0 HA LEU C 606 -6.422 2.937 1.830 1.00 0.00 H new ATOM 0 HB2 LEU C 606 -5.759 0.586 1.929 1.00 0.00 H new ATOM 0 HB3 LEU C 606 -5.263 1.360 3.420 1.00 0.00 H new ATOM 0 HG LEU C 606 -7.784 0.589 4.136 1.00 0.00 H new ATOM 0 HD11 LEU C 606 -8.157 -1.708 3.261 1.00 0.00 H new ATOM 0 HD12 LEU C 606 -8.188 -0.509 1.946 1.00 0.00 H new ATOM 0 HD13 LEU C 606 -6.748 -1.527 2.189 1.00 0.00 H new ATOM 0 HD21 LEU C 606 -6.695 -1.350 5.249 1.00 0.00 H new ATOM 0 HD22 LEU C 606 -5.283 -1.168 4.181 1.00 0.00 H new ATOM 0 HD23 LEU C 606 -5.677 0.106 5.360 1.00 0.00 H new ATOM 706 N THR C 607 -8.203 1.625 0.494 1.00 0.00 N ATOM 707 CA THR C 607 -9.413 1.179 -0.251 1.00 0.00 C ATOM 708 C THR C 607 -9.128 -0.164 -0.926 1.00 0.00 C ATOM 709 O THR C 607 -8.371 -0.245 -1.873 1.00 0.00 O ATOM 710 CB THR C 607 -9.770 2.220 -1.315 1.00 0.00 C ATOM 711 OG1 THR C 607 -9.637 3.522 -0.764 1.00 0.00 O ATOM 712 CG2 THR C 607 -11.212 2.005 -1.778 1.00 0.00 C ATOM 0 H THR C 607 -7.366 1.755 -0.075 1.00 0.00 H new ATOM 0 HA THR C 607 -10.247 1.068 0.442 1.00 0.00 H new ATOM 0 HB THR C 607 -9.098 2.115 -2.167 1.00 0.00 H new ATOM 0 HG1 THR C 607 -9.864 4.190 -1.444 1.00 0.00 H new ATOM 0 HG21 THR C 607 -11.465 2.747 -2.536 1.00 0.00 H new ATOM 0 HG22 THR C 607 -11.313 1.005 -2.201 1.00 0.00 H new ATOM 0 HG23 THR C 607 -11.886 2.110 -0.928 1.00 0.00 H new ATOM 720 N GLY C 608 -9.725 -1.220 -0.444 1.00 0.00 N ATOM 721 CA GLY C 608 -9.488 -2.556 -1.058 1.00 0.00 C ATOM 722 C GLY C 608 -8.822 -3.477 -0.033 1.00 0.00 C ATOM 723 O GLY C 608 -8.550 -3.083 1.084 1.00 0.00 O ATOM 0 H GLY C 608 -10.367 -1.214 0.349 1.00 0.00 H new ATOM 0 HA2 GLY C 608 -10.432 -2.987 -1.392 1.00 0.00 H new ATOM 0 HA3 GLY C 608 -8.854 -2.456 -1.939 1.00 0.00 H new ATOM 727 N SER C 609 -8.560 -4.701 -0.401 1.00 0.00 N ATOM 728 CA SER C 609 -7.914 -5.644 0.555 1.00 0.00 C ATOM 729 C SER C 609 -7.160 -6.723 -0.226 1.00 0.00 C ATOM 730 O SER C 609 -6.878 -7.789 0.285 1.00 0.00 O ATOM 731 CB SER C 609 -8.985 -6.300 1.427 1.00 0.00 C ATOM 732 OG SER C 609 -10.033 -5.369 1.662 1.00 0.00 O ATOM 0 H SER C 609 -8.765 -5.089 -1.322 1.00 0.00 H new ATOM 0 HA SER C 609 -7.215 -5.098 1.189 1.00 0.00 H new ATOM 0 HB2 SER C 609 -9.377 -7.190 0.934 1.00 0.00 H new ATOM 0 HB3 SER C 609 -8.552 -6.624 2.373 1.00 0.00 H new ATOM 0 HG SER C 609 -10.722 -5.786 2.220 1.00 0.00 H new ATOM 738 N SER C 610 -6.832 -6.456 -1.460 1.00 0.00 N ATOM 739 CA SER C 610 -6.096 -7.467 -2.271 1.00 0.00 C ATOM 740 C SER C 610 -6.180 -7.093 -3.752 1.00 0.00 C ATOM 741 O SER C 610 -7.247 -7.049 -4.332 1.00 0.00 O ATOM 742 CB SER C 610 -6.723 -8.845 -2.058 1.00 0.00 C ATOM 743 OG SER C 610 -8.138 -8.714 -2.003 1.00 0.00 O ATOM 0 H SER C 610 -7.042 -5.582 -1.942 1.00 0.00 H new ATOM 0 HA SER C 610 -5.051 -7.490 -1.961 1.00 0.00 H new ATOM 0 HB2 SER C 610 -6.440 -9.516 -2.869 1.00 0.00 H new ATOM 0 HB3 SER C 610 -6.351 -9.288 -1.134 1.00 0.00 H new ATOM 0 HG SER C 610 -8.442 -8.138 -2.735 1.00 0.00 H new ATOM 749 N GLY C 611 -5.062 -6.823 -4.369 1.00 0.00 N ATOM 750 CA GLY C 611 -5.078 -6.452 -5.812 1.00 0.00 C ATOM 751 C GLY C 611 -4.626 -4.999 -5.973 1.00 0.00 C ATOM 752 O GLY C 611 -3.449 -4.701 -5.970 1.00 0.00 O ATOM 0 H GLY C 611 -4.139 -6.843 -3.936 1.00 0.00 H new ATOM 0 HA2 GLY C 611 -4.419 -7.113 -6.375 1.00 0.00 H new ATOM 0 HA3 GLY C 611 -6.081 -6.579 -6.219 1.00 0.00 H new ATOM 756 N THR C 612 -5.555 -4.092 -6.113 1.00 0.00 N ATOM 757 CA THR C 612 -5.178 -2.660 -6.274 1.00 0.00 C ATOM 758 C THR C 612 -5.831 -1.834 -5.164 1.00 0.00 C ATOM 759 O THR C 612 -7.005 -1.523 -5.216 1.00 0.00 O ATOM 760 CB THR C 612 -5.661 -2.156 -7.636 1.00 0.00 C ATOM 761 OG1 THR C 612 -5.010 -2.885 -8.667 1.00 0.00 O ATOM 762 CG2 THR C 612 -5.336 -0.668 -7.777 1.00 0.00 C ATOM 0 H THR C 612 -6.557 -4.281 -6.123 1.00 0.00 H new ATOM 0 HA THR C 612 -4.094 -2.560 -6.213 1.00 0.00 H new ATOM 0 HB THR C 612 -6.739 -2.298 -7.715 1.00 0.00 H new ATOM 0 HG1 THR C 612 -5.320 -2.565 -9.540 1.00 0.00 H new ATOM 0 HG21 THR C 612 -5.681 -0.311 -8.747 1.00 0.00 H new ATOM 0 HG22 THR C 612 -5.837 -0.110 -6.986 1.00 0.00 H new ATOM 0 HG23 THR C 612 -4.259 -0.522 -7.698 1.00 0.00 H new ATOM 770 N VAL C 613 -5.081 -1.475 -4.159 1.00 0.00 N ATOM 771 CA VAL C 613 -5.652 -0.674 -3.048 1.00 0.00 C ATOM 772 C VAL C 613 -5.146 0.770 -3.163 1.00 0.00 C ATOM 773 O VAL C 613 -4.211 1.053 -3.881 1.00 0.00 O ATOM 774 CB VAL C 613 -5.209 -1.310 -1.719 1.00 0.00 C ATOM 775 CG1 VAL C 613 -5.071 -0.244 -0.633 1.00 0.00 C ATOM 776 CG2 VAL C 613 -6.251 -2.341 -1.282 1.00 0.00 C ATOM 0 H VAL C 613 -4.092 -1.705 -4.062 1.00 0.00 H new ATOM 0 HA VAL C 613 -6.741 -0.661 -3.092 1.00 0.00 H new ATOM 0 HB VAL C 613 -4.242 -1.791 -1.865 1.00 0.00 H new ATOM 0 HG11 VAL C 613 -4.757 -0.713 0.299 1.00 0.00 H new ATOM 0 HG12 VAL C 613 -4.327 0.492 -0.938 1.00 0.00 H new ATOM 0 HG13 VAL C 613 -6.031 0.251 -0.485 1.00 0.00 H new ATOM 0 HG21 VAL C 613 -5.941 -2.795 -0.340 1.00 0.00 H new ATOM 0 HG22 VAL C 613 -7.215 -1.850 -1.149 1.00 0.00 H new ATOM 0 HG23 VAL C 613 -6.340 -3.114 -2.045 1.00 0.00 H new ATOM 786 N THR C 614 -5.758 1.684 -2.460 1.00 0.00 N ATOM 787 CA THR C 614 -5.305 3.103 -2.533 1.00 0.00 C ATOM 788 C THR C 614 -5.335 3.723 -1.135 1.00 0.00 C ATOM 789 O THR C 614 -6.267 3.525 -0.379 1.00 0.00 O ATOM 790 CB THR C 614 -6.230 3.893 -3.464 1.00 0.00 C ATOM 791 OG1 THR C 614 -6.425 3.162 -4.666 1.00 0.00 O ATOM 792 CG2 THR C 614 -5.598 5.249 -3.784 1.00 0.00 C ATOM 0 H THR C 614 -6.549 1.511 -1.840 1.00 0.00 H new ATOM 0 HA THR C 614 -4.288 3.136 -2.923 1.00 0.00 H new ATOM 0 HB THR C 614 -7.191 4.050 -2.975 1.00 0.00 H new ATOM 0 HG1 THR C 614 -7.018 3.665 -5.262 1.00 0.00 H new ATOM 0 HG21 THR C 614 -6.257 5.810 -4.446 1.00 0.00 H new ATOM 0 HG22 THR C 614 -5.450 5.808 -2.860 1.00 0.00 H new ATOM 0 HG23 THR C 614 -4.636 5.096 -4.274 1.00 0.00 H new ATOM 800 N ALA C 615 -4.326 4.474 -0.781 1.00 0.00 N ATOM 801 CA ALA C 615 -4.312 5.102 0.575 1.00 0.00 C ATOM 802 C ALA C 615 -5.203 6.344 0.570 1.00 0.00 C ATOM 803 O ALA C 615 -5.186 7.131 -0.354 1.00 0.00 O ATOM 804 CB ALA C 615 -2.882 5.504 0.953 1.00 0.00 C ATOM 0 H ALA C 615 -3.516 4.679 -1.366 1.00 0.00 H new ATOM 0 HA ALA C 615 -4.686 4.383 1.304 1.00 0.00 H new ATOM 0 HB1 ALA C 615 -2.882 5.961 1.943 1.00 0.00 H new ATOM 0 HB2 ALA C 615 -2.246 4.619 0.962 1.00 0.00 H new ATOM 0 HB3 ALA C 615 -2.500 6.218 0.224 1.00 0.00 H new ATOM 810 N ARG C 616 -5.987 6.526 1.600 1.00 0.00 N ATOM 811 CA ARG C 616 -6.883 7.714 1.657 1.00 0.00 C ATOM 812 C ARG C 616 -6.426 8.641 2.791 1.00 0.00 C ATOM 813 O ARG C 616 -6.039 8.178 3.845 1.00 0.00 O ATOM 814 CB ARG C 616 -8.317 7.251 1.923 1.00 0.00 C ATOM 815 CG ARG C 616 -9.295 8.370 1.559 1.00 0.00 C ATOM 816 CD ARG C 616 -10.730 7.878 1.760 1.00 0.00 C ATOM 817 NE ARG C 616 -10.875 7.311 3.129 1.00 0.00 N ATOM 818 CZ ARG C 616 -12.006 6.772 3.498 1.00 0.00 C ATOM 819 NH1 ARG C 616 -12.783 6.217 2.608 1.00 0.00 N ATOM 820 NH2 ARG C 616 -12.359 6.789 4.753 1.00 0.00 N ATOM 0 H ARG C 616 -6.044 5.901 2.404 1.00 0.00 H new ATOM 0 HA ARG C 616 -6.842 8.251 0.710 1.00 0.00 H new ATOM 0 HB2 ARG C 616 -8.536 6.358 1.337 1.00 0.00 H new ATOM 0 HB3 ARG C 616 -8.433 6.980 2.972 1.00 0.00 H new ATOM 0 HG2 ARG C 616 -9.109 9.246 2.180 1.00 0.00 H new ATOM 0 HG3 ARG C 616 -9.146 8.676 0.523 1.00 0.00 H new ATOM 0 HD2 ARG C 616 -11.431 8.701 1.620 1.00 0.00 H new ATOM 0 HD3 ARG C 616 -10.974 7.122 1.014 1.00 0.00 H new ATOM 0 HE ARG C 616 -10.090 7.344 3.780 1.00 0.00 H new ATOM 0 HH11 ARG C 616 -12.506 6.205 1.626 1.00 0.00 H new ATOM 0 HH12 ARG C 616 -13.667 5.796 2.894 1.00 0.00 H new ATOM 0 HH21 ARG C 616 -11.752 7.224 5.448 1.00 0.00 H new ATOM 0 HH22 ARG C 616 -13.243 6.368 5.040 1.00 0.00 H new ATOM 834 N PRO C 617 -6.488 9.927 2.543 1.00 0.00 N ATOM 835 CA PRO C 617 -6.087 10.943 3.533 1.00 0.00 C ATOM 836 C PRO C 617 -7.185 11.125 4.585 1.00 0.00 C ATOM 837 O PRO C 617 -8.359 11.152 4.273 1.00 0.00 O ATOM 838 CB PRO C 617 -5.916 12.213 2.696 1.00 0.00 C ATOM 839 CG PRO C 617 -6.759 12.007 1.416 1.00 0.00 C ATOM 840 CD PRO C 617 -6.959 10.488 1.260 1.00 0.00 C ATOM 0 HA PRO C 617 -5.183 10.676 4.081 1.00 0.00 H new ATOM 0 HB2 PRO C 617 -6.254 13.090 3.247 1.00 0.00 H new ATOM 0 HB3 PRO C 617 -4.867 12.377 2.448 1.00 0.00 H new ATOM 0 HG2 PRO C 617 -7.719 12.518 1.498 1.00 0.00 H new ATOM 0 HG3 PRO C 617 -6.250 12.422 0.546 1.00 0.00 H new ATOM 0 HD2 PRO C 617 -8.005 10.241 1.077 1.00 0.00 H new ATOM 0 HD3 PRO C 617 -6.387 10.095 0.420 1.00 0.00 H new ATOM 848 N ASN C 618 -6.812 11.248 5.830 1.00 0.00 N ATOM 849 CA ASN C 618 -7.836 11.427 6.899 1.00 0.00 C ATOM 850 C ASN C 618 -7.669 12.805 7.541 1.00 0.00 C ATOM 851 O ASN C 618 -8.511 13.256 8.292 1.00 0.00 O ATOM 852 CB ASN C 618 -7.655 10.343 7.963 1.00 0.00 C ATOM 853 CG ASN C 618 -7.777 8.964 7.313 1.00 0.00 C ATOM 854 OD1 ASN C 618 -6.817 8.220 7.253 1.00 0.00 O ATOM 855 ND2 ASN C 618 -8.925 8.587 6.820 1.00 0.00 N ATOM 0 H ASN C 618 -5.845 11.232 6.153 1.00 0.00 H new ATOM 0 HA ASN C 618 -8.833 11.348 6.465 1.00 0.00 H new ATOM 0 HB2 ASN C 618 -6.681 10.447 8.441 1.00 0.00 H new ATOM 0 HB3 ASN C 618 -8.407 10.456 8.744 1.00 0.00 H new ATOM 0 HD21 ASN C 618 -9.016 7.669 6.385 1.00 0.00 H new ATOM 0 HD22 ASN C 618 -9.731 9.210 6.870 1.00 0.00 H new ATOM 862 N GLY C 619 -6.590 13.479 7.253 1.00 0.00 N ATOM 863 CA GLY C 619 -6.371 14.828 7.848 1.00 0.00 C ATOM 864 C GLY C 619 -4.967 14.903 8.450 1.00 0.00 C ATOM 865 O GLY C 619 -4.551 15.929 8.952 1.00 0.00 O ATOM 0 H GLY C 619 -5.850 13.154 6.631 1.00 0.00 H new ATOM 0 HA2 GLY C 619 -6.492 15.597 7.085 1.00 0.00 H new ATOM 0 HA3 GLY C 619 -7.118 15.023 8.617 1.00 0.00 H new ATOM 869 N SER C 620 -4.230 13.826 8.405 1.00 0.00 N ATOM 870 CA SER C 620 -2.854 13.840 8.975 1.00 0.00 C ATOM 871 C SER C 620 -2.338 12.405 9.097 1.00 0.00 C ATOM 872 O SER C 620 -2.973 11.555 9.687 1.00 0.00 O ATOM 873 CB SER C 620 -2.883 14.492 10.358 1.00 0.00 C ATOM 874 OG SER C 620 -2.391 15.822 10.261 1.00 0.00 O ATOM 0 H SER C 620 -4.522 12.938 7.998 1.00 0.00 H new ATOM 0 HA SER C 620 -2.194 14.408 8.319 1.00 0.00 H new ATOM 0 HB2 SER C 620 -3.900 14.496 10.749 1.00 0.00 H new ATOM 0 HB3 SER C 620 -2.275 13.917 11.056 1.00 0.00 H new ATOM 0 HG SER C 620 -3.014 16.363 9.733 1.00 0.00 H new ATOM 880 N GLY C 621 -1.188 12.131 8.543 1.00 0.00 N ATOM 881 CA GLY C 621 -0.631 10.750 8.627 1.00 0.00 C ATOM 882 C GLY C 621 0.188 10.454 7.370 1.00 0.00 C ATOM 883 O GLY C 621 -0.339 10.374 6.278 1.00 0.00 O ATOM 0 H GLY C 621 -0.611 12.802 8.037 1.00 0.00 H new ATOM 0 HA2 GLY C 621 -0.005 10.652 9.514 1.00 0.00 H new ATOM 0 HA3 GLY C 621 -1.439 10.026 8.726 1.00 0.00 H new ATOM 887 N ASN C 622 1.475 10.291 7.514 1.00 0.00 N ATOM 888 CA ASN C 622 2.326 10.001 6.327 1.00 0.00 C ATOM 889 C ASN C 622 2.941 8.607 6.468 1.00 0.00 C ATOM 890 O ASN C 622 3.391 8.014 5.507 1.00 0.00 O ATOM 891 CB ASN C 622 3.441 11.046 6.232 1.00 0.00 C ATOM 892 CG ASN C 622 2.834 12.412 5.910 1.00 0.00 C ATOM 893 OD1 ASN C 622 3.180 13.403 6.521 1.00 0.00 O ATOM 894 ND2 ASN C 622 1.935 12.508 4.969 1.00 0.00 N ATOM 0 H ASN C 622 1.973 10.346 8.402 1.00 0.00 H new ATOM 0 HA ASN C 622 1.716 10.038 5.424 1.00 0.00 H new ATOM 0 HB2 ASN C 622 3.991 11.093 7.172 1.00 0.00 H new ATOM 0 HB3 ASN C 622 4.155 10.762 5.459 1.00 0.00 H new ATOM 0 HD21 ASN C 622 1.524 13.415 4.747 1.00 0.00 H new ATOM 0 HD22 ASN C 622 1.644 11.676 4.455 1.00 0.00 H new ATOM 901 N SER C 623 2.963 8.077 7.660 1.00 0.00 N ATOM 902 CA SER C 623 3.546 6.721 7.863 1.00 0.00 C ATOM 903 C SER C 623 2.451 5.771 8.349 1.00 0.00 C ATOM 904 O SER C 623 1.955 5.892 9.451 1.00 0.00 O ATOM 905 CB SER C 623 4.659 6.795 8.909 1.00 0.00 C ATOM 906 OG SER C 623 5.657 7.705 8.469 1.00 0.00 O ATOM 0 H SER C 623 2.602 8.525 8.502 1.00 0.00 H new ATOM 0 HA SER C 623 3.958 6.355 6.923 1.00 0.00 H new ATOM 0 HB2 SER C 623 4.252 7.119 9.867 1.00 0.00 H new ATOM 0 HB3 SER C 623 5.094 5.808 9.064 1.00 0.00 H new ATOM 0 HG SER C 623 6.371 7.756 9.138 1.00 0.00 H new ATOM 912 N PHE C 624 2.066 4.828 7.534 1.00 0.00 N ATOM 913 CA PHE C 624 0.999 3.876 7.952 1.00 0.00 C ATOM 914 C PHE C 624 1.526 2.443 7.861 1.00 0.00 C ATOM 915 O PHE C 624 2.269 2.099 6.965 1.00 0.00 O ATOM 916 CB PHE C 624 -0.215 4.038 7.035 1.00 0.00 C ATOM 917 CG PHE C 624 0.094 3.458 5.675 1.00 0.00 C ATOM 918 CD1 PHE C 624 0.775 4.227 4.723 1.00 0.00 C ATOM 919 CD2 PHE C 624 -0.301 2.151 5.366 1.00 0.00 C ATOM 920 CE1 PHE C 624 1.060 3.687 3.462 1.00 0.00 C ATOM 921 CE2 PHE C 624 -0.016 1.612 4.106 1.00 0.00 C ATOM 922 CZ PHE C 624 0.664 2.380 3.154 1.00 0.00 C ATOM 0 H PHE C 624 2.443 4.676 6.599 1.00 0.00 H new ATOM 0 HA PHE C 624 0.706 4.086 8.981 1.00 0.00 H new ATOM 0 HB2 PHE C 624 -1.080 3.535 7.468 1.00 0.00 H new ATOM 0 HB3 PHE C 624 -0.474 5.093 6.941 1.00 0.00 H new ATOM 0 HD1 PHE C 624 1.080 5.235 4.961 1.00 0.00 H new ATOM 0 HD2 PHE C 624 -0.826 1.558 6.100 1.00 0.00 H new ATOM 0 HE1 PHE C 624 1.585 4.279 2.727 1.00 0.00 H new ATOM 0 HE2 PHE C 624 -0.321 0.604 3.869 1.00 0.00 H new ATOM 0 HZ PHE C 624 0.883 1.964 2.182 1.00 0.00 H new ATOM 932 N GLY C 625 1.142 1.603 8.784 1.00 0.00 N ATOM 933 CA GLY C 625 1.617 0.192 8.752 1.00 0.00 C ATOM 934 C GLY C 625 0.503 -0.706 8.212 1.00 0.00 C ATOM 935 O GLY C 625 -0.666 -0.390 8.319 1.00 0.00 O ATOM 0 H GLY C 625 0.520 1.834 9.559 1.00 0.00 H new ATOM 0 HA2 GLY C 625 2.503 0.109 8.123 1.00 0.00 H new ATOM 0 HA3 GLY C 625 1.905 -0.129 9.753 1.00 0.00 H new ATOM 939 N VAL C 626 0.851 -1.820 7.631 1.00 0.00 N ATOM 940 CA VAL C 626 -0.194 -2.732 7.086 1.00 0.00 C ATOM 941 C VAL C 626 0.296 -4.178 7.160 1.00 0.00 C ATOM 942 O VAL C 626 1.453 -4.466 6.928 1.00 0.00 O ATOM 943 CB VAL C 626 -0.480 -2.364 5.629 1.00 0.00 C ATOM 944 CG1 VAL C 626 -1.583 -3.270 5.079 1.00 0.00 C ATOM 945 CG2 VAL C 626 -0.935 -0.904 5.553 1.00 0.00 C ATOM 0 H VAL C 626 1.812 -2.139 7.510 1.00 0.00 H new ATOM 0 HA VAL C 626 -1.106 -2.630 7.674 1.00 0.00 H new ATOM 0 HB VAL C 626 0.426 -2.496 5.037 1.00 0.00 H new ATOM 0 HG11 VAL C 626 -1.786 -3.007 4.041 1.00 0.00 H new ATOM 0 HG12 VAL C 626 -1.261 -4.310 5.134 1.00 0.00 H new ATOM 0 HG13 VAL C 626 -2.489 -3.140 5.670 1.00 0.00 H new ATOM 0 HG21 VAL C 626 -1.139 -0.640 4.515 1.00 0.00 H new ATOM 0 HG22 VAL C 626 -1.841 -0.774 6.146 1.00 0.00 H new ATOM 0 HG23 VAL C 626 -0.150 -0.257 5.944 1.00 0.00 H new ATOM 955 N THR C 627 -0.579 -5.093 7.480 1.00 0.00 N ATOM 956 CA THR C 627 -0.168 -6.521 7.566 1.00 0.00 C ATOM 957 C THR C 627 -0.630 -7.258 6.308 1.00 0.00 C ATOM 958 O THR C 627 -1.435 -6.758 5.547 1.00 0.00 O ATOM 959 CB THR C 627 -0.809 -7.164 8.799 1.00 0.00 C ATOM 960 OG1 THR C 627 -0.217 -6.628 9.974 1.00 0.00 O ATOM 961 CG2 THR C 627 -0.592 -8.679 8.759 1.00 0.00 C ATOM 0 H THR C 627 -1.561 -4.911 7.686 1.00 0.00 H new ATOM 0 HA THR C 627 0.917 -6.584 7.648 1.00 0.00 H new ATOM 0 HB THR C 627 -1.878 -6.953 8.804 1.00 0.00 H new ATOM 0 HG1 THR C 627 0.144 -7.357 10.520 1.00 0.00 H new ATOM 0 HG21 THR C 627 -1.049 -9.135 9.637 1.00 0.00 H new ATOM 0 HG22 THR C 627 -1.049 -9.088 7.858 1.00 0.00 H new ATOM 0 HG23 THR C 627 0.477 -8.893 8.753 1.00 0.00 H new ATOM 969 N PHE C 628 -0.126 -8.439 6.079 1.00 0.00 N ATOM 970 CA PHE C 628 -0.539 -9.199 4.866 1.00 0.00 C ATOM 971 C PHE C 628 -0.619 -10.690 5.198 1.00 0.00 C ATOM 972 O PHE C 628 0.328 -11.281 5.681 1.00 0.00 O ATOM 973 CB PHE C 628 0.487 -8.976 3.753 1.00 0.00 C ATOM 974 CG PHE C 628 0.537 -7.508 3.401 1.00 0.00 C ATOM 975 CD1 PHE C 628 -0.384 -6.974 2.491 1.00 0.00 C ATOM 976 CD2 PHE C 628 1.502 -6.681 3.987 1.00 0.00 C ATOM 977 CE1 PHE C 628 -0.337 -5.613 2.166 1.00 0.00 C ATOM 978 CE2 PHE C 628 1.549 -5.320 3.662 1.00 0.00 C ATOM 979 CZ PHE C 628 0.629 -4.786 2.752 1.00 0.00 C ATOM 0 H PHE C 628 0.552 -8.910 6.678 1.00 0.00 H new ATOM 0 HA PHE C 628 -1.517 -8.851 4.534 1.00 0.00 H new ATOM 0 HB2 PHE C 628 1.470 -9.317 4.077 1.00 0.00 H new ATOM 0 HB3 PHE C 628 0.219 -9.563 2.874 1.00 0.00 H new ATOM 0 HD1 PHE C 628 -1.130 -7.612 2.040 1.00 0.00 H new ATOM 0 HD2 PHE C 628 2.211 -7.093 4.690 1.00 0.00 H new ATOM 0 HE1 PHE C 628 -1.046 -5.201 1.463 1.00 0.00 H new ATOM 0 HE2 PHE C 628 2.295 -4.682 4.113 1.00 0.00 H new ATOM 0 HZ PHE C 628 0.664 -3.736 2.502 1.00 0.00 H new ATOM 989 N TYR C 629 -1.743 -11.304 4.943 1.00 0.00 N ATOM 990 CA TYR C 629 -1.886 -12.757 5.242 1.00 0.00 C ATOM 991 C TYR C 629 -1.258 -13.575 4.113 1.00 0.00 C ATOM 992 O TYR C 629 -1.568 -13.388 2.952 1.00 0.00 O ATOM 993 CB TYR C 629 -3.371 -13.110 5.357 1.00 0.00 C ATOM 994 CG TYR C 629 -3.822 -12.943 6.787 1.00 0.00 C ATOM 995 CD1 TYR C 629 -3.358 -13.820 7.774 1.00 0.00 C ATOM 996 CD2 TYR C 629 -4.707 -11.912 7.126 1.00 0.00 C ATOM 997 CE1 TYR C 629 -3.778 -13.666 9.101 1.00 0.00 C ATOM 998 CE2 TYR C 629 -5.127 -11.759 8.452 1.00 0.00 C ATOM 999 CZ TYR C 629 -4.662 -12.635 9.440 1.00 0.00 C ATOM 1000 OH TYR C 629 -5.076 -12.484 10.747 1.00 0.00 O ATOM 0 H TYR C 629 -2.569 -10.861 4.540 1.00 0.00 H new ATOM 0 HA TYR C 629 -1.382 -12.985 6.181 1.00 0.00 H new ATOM 0 HB2 TYR C 629 -3.960 -12.467 4.702 1.00 0.00 H new ATOM 0 HB3 TYR C 629 -3.537 -14.136 5.030 1.00 0.00 H new ATOM 0 HD1 TYR C 629 -2.676 -14.616 7.512 1.00 0.00 H new ATOM 0 HD2 TYR C 629 -5.065 -11.235 6.364 1.00 0.00 H new ATOM 0 HE1 TYR C 629 -3.420 -14.343 9.863 1.00 0.00 H new ATOM 0 HE2 TYR C 629 -5.810 -10.965 8.713 1.00 0.00 H new ATOM 0 HH TYR C 629 -5.687 -11.720 10.810 1.00 0.00 H new ATOM 1010 N LYS C 630 -0.380 -14.482 4.440 1.00 0.00 N ATOM 1011 CA LYS C 630 0.263 -15.312 3.382 1.00 0.00 C ATOM 1012 C LYS C 630 1.341 -16.207 4.015 1.00 0.00 C ATOM 1013 O LYS C 630 1.613 -17.291 3.538 1.00 0.00 O ATOM 1014 CB LYS C 630 0.863 -14.382 2.306 1.00 0.00 C ATOM 1015 CG LYS C 630 2.391 -14.325 2.410 1.00 0.00 C ATOM 1016 CD LYS C 630 2.987 -15.562 1.739 1.00 0.00 C ATOM 1017 CE LYS C 630 3.331 -15.238 0.284 1.00 0.00 C ATOM 1018 NZ LYS C 630 2.501 -16.083 -0.622 1.00 0.00 N ATOM 0 H LYS C 630 -0.080 -14.685 5.393 1.00 0.00 H new ATOM 0 HA LYS C 630 -0.475 -15.959 2.907 1.00 0.00 H new ATOM 0 HB2 LYS C 630 0.577 -14.736 1.316 1.00 0.00 H new ATOM 0 HB3 LYS C 630 0.451 -13.379 2.418 1.00 0.00 H new ATOM 0 HG2 LYS C 630 2.766 -13.421 1.931 1.00 0.00 H new ATOM 0 HG3 LYS C 630 2.695 -14.282 3.456 1.00 0.00 H new ATOM 0 HD2 LYS C 630 3.882 -15.883 2.273 1.00 0.00 H new ATOM 0 HD3 LYS C 630 2.278 -16.389 1.781 1.00 0.00 H new ATOM 0 HE2 LYS C 630 3.149 -14.182 0.082 1.00 0.00 H new ATOM 0 HE3 LYS C 630 4.390 -15.420 0.100 1.00 0.00 H new ATOM 0 HZ1 LYS C 630 2.734 -15.864 -1.612 1.00 0.00 H new ATOM 0 HZ2 LYS C 630 2.696 -17.087 -0.435 1.00 0.00 H new ATOM 0 HZ3 LYS C 630 1.494 -15.888 -0.452 1.00 0.00 H new ATOM 1085 N THR C 636 7.573 -9.243 -0.859 1.00 0.00 N ATOM 1086 CA THR C 636 6.687 -8.383 -0.035 1.00 0.00 C ATOM 1087 C THR C 636 5.882 -7.455 -0.950 1.00 0.00 C ATOM 1088 O THR C 636 6.067 -7.463 -2.151 1.00 0.00 O ATOM 1089 CB THR C 636 7.533 -7.542 0.929 1.00 0.00 C ATOM 1090 OG1 THR C 636 8.913 -7.782 0.690 1.00 0.00 O ATOM 1091 CG2 THR C 636 7.190 -7.918 2.371 1.00 0.00 C ATOM 0 HA THR C 636 6.006 -9.012 0.538 1.00 0.00 H new ATOM 0 HB THR C 636 7.319 -6.485 0.769 1.00 0.00 H new ATOM 0 HG1 THR C 636 9.018 -8.624 0.200 1.00 0.00 H new ATOM 0 HG21 THR C 636 7.791 -7.320 3.056 1.00 0.00 H new ATOM 0 HG22 THR C 636 6.133 -7.727 2.555 1.00 0.00 H new ATOM 0 HG23 THR C 636 7.401 -8.975 2.531 1.00 0.00 H new ATOM 1099 N PRO C 637 5.011 -6.681 -0.353 1.00 0.00 N ATOM 1100 CA PRO C 637 4.161 -5.730 -1.089 1.00 0.00 C ATOM 1101 C PRO C 637 4.960 -4.475 -1.450 1.00 0.00 C ATOM 1102 O PRO C 637 6.075 -4.292 -1.005 1.00 0.00 O ATOM 1103 CB PRO C 637 3.045 -5.403 -0.093 1.00 0.00 C ATOM 1104 CG PRO C 637 3.607 -5.719 1.313 1.00 0.00 C ATOM 1105 CD PRO C 637 4.793 -6.681 1.108 1.00 0.00 C ATOM 0 HA PRO C 637 3.780 -6.129 -2.029 1.00 0.00 H new ATOM 0 HB2 PRO C 637 2.753 -4.356 -0.168 1.00 0.00 H new ATOM 0 HB3 PRO C 637 2.155 -5.998 -0.298 1.00 0.00 H new ATOM 0 HG2 PRO C 637 3.930 -4.807 1.815 1.00 0.00 H new ATOM 0 HG3 PRO C 637 2.843 -6.175 1.942 1.00 0.00 H new ATOM 0 HD2 PRO C 637 5.679 -6.340 1.643 1.00 0.00 H new ATOM 0 HD3 PRO C 637 4.563 -7.681 1.476 1.00 0.00 H new ATOM 1113 N GLY C 638 4.404 -3.613 -2.255 1.00 0.00 N ATOM 1114 CA GLY C 638 5.141 -2.376 -2.640 1.00 0.00 C ATOM 1115 C GLY C 638 4.153 -1.229 -2.857 1.00 0.00 C ATOM 1116 O GLY C 638 3.093 -1.406 -3.427 1.00 0.00 O ATOM 0 H GLY C 638 3.474 -3.711 -2.662 1.00 0.00 H new ATOM 0 HA2 GLY C 638 5.855 -2.110 -1.861 1.00 0.00 H new ATOM 0 HA3 GLY C 638 5.714 -2.552 -3.551 1.00 0.00 H new ATOM 1120 N ALA C 639 4.497 -0.050 -2.411 1.00 0.00 N ATOM 1121 CA ALA C 639 3.587 1.115 -2.594 1.00 0.00 C ATOM 1122 C ALA C 639 3.967 1.852 -3.879 1.00 0.00 C ATOM 1123 O ALA C 639 5.122 2.129 -4.130 1.00 0.00 O ATOM 1124 CB ALA C 639 3.720 2.064 -1.404 1.00 0.00 C ATOM 0 H ALA C 639 5.371 0.155 -1.927 1.00 0.00 H new ATOM 0 HA ALA C 639 2.557 0.766 -2.661 1.00 0.00 H new ATOM 0 HB1 ALA C 639 3.053 2.915 -1.541 1.00 0.00 H new ATOM 0 HB2 ALA C 639 3.453 1.538 -0.487 1.00 0.00 H new ATOM 0 HB3 ALA C 639 4.749 2.417 -1.333 1.00 0.00 H new ATOM 1130 N THR C 640 3.003 2.157 -4.700 1.00 0.00 N ATOM 1131 CA THR C 640 3.306 2.861 -5.979 1.00 0.00 C ATOM 1132 C THR C 640 3.056 4.365 -5.853 1.00 0.00 C ATOM 1133 O THR C 640 2.118 4.810 -5.227 1.00 0.00 O ATOM 1134 CB THR C 640 2.396 2.334 -7.067 1.00 0.00 C ATOM 1135 OG1 THR C 640 2.064 0.979 -6.798 1.00 0.00 O ATOM 1136 CG2 THR C 640 3.094 2.438 -8.424 1.00 0.00 C ATOM 0 H THR C 640 2.017 1.950 -4.542 1.00 0.00 H new ATOM 0 HA THR C 640 4.355 2.685 -6.219 1.00 0.00 H new ATOM 0 HB THR C 640 1.483 2.929 -7.090 1.00 0.00 H new ATOM 0 HG1 THR C 640 1.126 0.921 -6.521 1.00 0.00 H new ATOM 0 HG21 THR C 640 2.434 2.057 -9.203 1.00 0.00 H new ATOM 0 HG22 THR C 640 3.335 3.481 -8.630 1.00 0.00 H new ATOM 0 HG23 THR C 640 4.012 1.850 -8.407 1.00 0.00 H new ATOM 1144 N CYS C 641 3.875 5.139 -6.490 1.00 0.00 N ATOM 1145 CA CYS C 641 3.708 6.621 -6.456 1.00 0.00 C ATOM 1146 C CYS C 641 4.462 7.248 -7.631 1.00 0.00 C ATOM 1147 O CYS C 641 5.598 7.657 -7.504 1.00 0.00 O ATOM 1148 CB CYS C 641 4.255 7.175 -5.138 1.00 0.00 C ATOM 1149 SG CYS C 641 2.919 7.272 -3.922 1.00 0.00 S ATOM 0 H CYS C 641 4.667 4.810 -7.043 1.00 0.00 H new ATOM 0 HA CYS C 641 2.649 6.865 -6.534 1.00 0.00 H new ATOM 0 HB2 CYS C 641 5.054 6.534 -4.766 1.00 0.00 H new ATOM 0 HB3 CYS C 641 4.687 8.163 -5.298 1.00 0.00 H new ATOM 0 HG CYS C 641 2.045 6.341 -4.163 1.00 0.00 H new