USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 570 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= -0.383 K(o=-0.098,f=0.48) USER MOD Set 1.2: C 627 THR OG1 : rot 180:sc= 0.285 USER MOD Set 2.1: C 618 ASN : amide:sc= -1.91 K(o=-2.4,f=-4.6!) USER MOD Set 2.2: C 620 SER OG : rot 0:sc= -0.524 USER MOD Single : C 557 THR OG1 : rot 28:sc= 0.0666 USER MOD Single : C 559 SER OG : rot 180:sc= -0.205 USER MOD Single : C 561 SER OG : rot 180:sc= 0 USER MOD Single : C 563 SER OG : rot 180:sc= -0.254 USER MOD Single : C 577 THR OG1 : rot 180:sc= 0 USER MOD Single : C 578 TYR OH : rot 178:sc= -0.398 USER MOD Single : C 579 SER OG : rot 18:sc= 0.00515 USER MOD Single : C 581 SER OG : rot 42:sc= 0.215 USER MOD Single : C 583 SER OG : rot 180:sc= -0.936 USER MOD Single : C 584 SER OG : rot 180:sc= 0.0347 USER MOD Single : C 585 SER OG : rot 180:sc= 0 USER MOD Single : C 589 THR OG1 : rot 180:sc= -1.73! USER MOD Single : C 593 ASN : amide:sc= -0.0565 K(o=-0.057,f=-1.2!) USER MOD Single : C 596 GLN : amide:sc= -1.87! C(o=-1.9!,f=-6.4!) USER MOD Single : C 597 SER OG : rot 180:sc= 0 USER MOD Single : C 599 GLN : amide:sc= -0.783 K(o=-0.78,f=-5.5!) USER MOD Single : C 600 SER OG : rot 37:sc= 1.2 USER MOD Single : C 601 SER OG : rot 130:sc= -0.221 USER MOD Single : C 603 ASN : amide:sc= -1.31 K(o=-1.3,f=-0.61) USER MOD Single : C 607 THR OG1 : rot 174:sc= -6.69! USER MOD Single : C 609 SER OG : rot 180:sc= 0 USER MOD Single : C 610 SER OG : rot 68:sc= 0.997 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 622 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 623 SER OG : rot 27:sc= 0.808! USER MOD Single : C 629 TYR OH : rot -139:sc= -1.15! USER MOD Single : C 630 LYS NZ :NH3+ -160:sc= -0.0212 (180deg=-0.448) USER MOD Single : C 631 ASN : amide:sc= -0.904! C(o=-0.9!,f=-1.3!) USER MOD Single : C 633 SER OG : rot -170:sc= -1.83! USER MOD Single : C 634 SER OG : rot 180:sc= 0 USER MOD Single : C 636 THR OG1 : rot -130:sc= 0 USER MOD Single : C 640 THR OG1 : rot 49:sc= -0.666 USER MOD Single : C 643 THR OG1 : rot 11:sc= 0.992 USER MOD ----------------------------------------------------------------- ATOM 1 N THR C 557 11.580 9.738 -10.333 1.00 0.00 N ATOM 2 CA THR C 557 11.671 11.210 -10.547 1.00 0.00 C ATOM 3 C THR C 557 10.287 11.761 -10.898 1.00 0.00 C ATOM 4 O THR C 557 9.488 11.101 -11.532 1.00 0.00 O ATOM 5 CB THR C 557 12.641 11.500 -11.696 1.00 0.00 C ATOM 6 OG1 THR C 557 13.937 11.033 -11.347 1.00 0.00 O ATOM 7 CG2 THR C 557 12.692 13.006 -11.956 1.00 0.00 C ATOM 0 HA THR C 557 12.033 11.687 -9.636 1.00 0.00 H new ATOM 0 HB THR C 557 12.301 10.990 -12.597 1.00 0.00 H new ATOM 0 HG1 THR C 557 13.857 10.280 -10.725 1.00 0.00 H new ATOM 0 HG21 THR C 557 13.383 13.211 -12.774 1.00 0.00 H new ATOM 0 HG22 THR C 557 11.697 13.363 -12.223 1.00 0.00 H new ATOM 0 HG23 THR C 557 13.032 13.519 -11.057 1.00 0.00 H new ATOM 17 N GLY C 558 9.997 12.966 -10.488 1.00 0.00 N ATOM 18 CA GLY C 558 8.664 13.557 -10.798 1.00 0.00 C ATOM 19 C GLY C 558 7.563 12.583 -10.377 1.00 0.00 C ATOM 20 O GLY C 558 6.904 11.982 -11.201 1.00 0.00 O ATOM 0 H GLY C 558 10.625 13.566 -9.953 1.00 0.00 H new ATOM 0 HA2 GLY C 558 8.544 14.506 -10.275 1.00 0.00 H new ATOM 0 HA3 GLY C 558 8.588 13.770 -11.864 1.00 0.00 H new ATOM 24 N SER C 559 7.358 12.423 -9.098 1.00 0.00 N ATOM 25 CA SER C 559 6.299 11.488 -8.625 1.00 0.00 C ATOM 26 C SER C 559 6.129 11.632 -7.111 1.00 0.00 C ATOM 27 O SER C 559 6.899 12.302 -6.451 1.00 0.00 O ATOM 28 CB SER C 559 6.702 10.051 -8.958 1.00 0.00 C ATOM 29 OG SER C 559 8.089 10.014 -9.267 1.00 0.00 O ATOM 0 H SER C 559 7.878 12.899 -8.361 1.00 0.00 H new ATOM 0 HA SER C 559 5.358 11.726 -9.120 1.00 0.00 H new ATOM 0 HB2 SER C 559 6.488 9.396 -8.114 1.00 0.00 H new ATOM 0 HB3 SER C 559 6.119 9.684 -9.803 1.00 0.00 H new ATOM 0 HG SER C 559 8.352 9.094 -9.480 1.00 0.00 H new ATOM 35 N CYS C 560 5.126 11.007 -6.557 1.00 0.00 N ATOM 36 CA CYS C 560 4.908 11.108 -5.087 1.00 0.00 C ATOM 37 C CYS C 560 6.146 10.563 -4.362 1.00 0.00 C ATOM 38 O CYS C 560 7.019 9.970 -4.963 1.00 0.00 O ATOM 39 CB CYS C 560 3.623 10.323 -4.721 1.00 0.00 C ATOM 40 SG CYS C 560 3.888 9.157 -3.351 1.00 0.00 S ATOM 0 H CYS C 560 4.449 10.432 -7.058 1.00 0.00 H new ATOM 0 HA CYS C 560 4.770 12.144 -4.777 1.00 0.00 H new ATOM 0 HB2 CYS C 560 2.836 11.026 -4.448 1.00 0.00 H new ATOM 0 HB3 CYS C 560 3.273 9.777 -5.597 1.00 0.00 H new ATOM 45 N SER C 561 6.226 10.766 -3.076 1.00 0.00 N ATOM 46 CA SER C 561 7.405 10.264 -2.314 1.00 0.00 C ATOM 47 C SER C 561 6.949 9.190 -1.328 1.00 0.00 C ATOM 48 O SER C 561 6.060 9.407 -0.529 1.00 0.00 O ATOM 49 CB SER C 561 8.048 11.422 -1.549 1.00 0.00 C ATOM 50 OG SER C 561 8.507 12.399 -2.473 1.00 0.00 O ATOM 0 H SER C 561 5.527 11.258 -2.520 1.00 0.00 H new ATOM 0 HA SER C 561 8.133 9.839 -3.005 1.00 0.00 H new ATOM 0 HB2 SER C 561 7.326 11.865 -0.863 1.00 0.00 H new ATOM 0 HB3 SER C 561 8.879 11.057 -0.945 1.00 0.00 H new ATOM 0 HG SER C 561 8.918 13.143 -1.985 1.00 0.00 H new ATOM 56 N VAL C 562 7.545 8.030 -1.377 1.00 0.00 N ATOM 57 CA VAL C 562 7.132 6.949 -0.442 1.00 0.00 C ATOM 58 C VAL C 562 8.347 6.126 -0.013 1.00 0.00 C ATOM 59 O VAL C 562 9.454 6.340 -0.468 1.00 0.00 O ATOM 60 CB VAL C 562 6.125 6.034 -1.142 1.00 0.00 C ATOM 61 CG1 VAL C 562 5.068 6.884 -1.843 1.00 0.00 C ATOM 62 CG2 VAL C 562 6.849 5.171 -2.179 1.00 0.00 C ATOM 0 H VAL C 562 8.297 7.786 -2.022 1.00 0.00 H new ATOM 0 HA VAL C 562 6.678 7.398 0.441 1.00 0.00 H new ATOM 0 HB VAL C 562 5.647 5.391 -0.403 1.00 0.00 H new ATOM 0 HG11 VAL C 562 4.350 6.233 -2.342 1.00 0.00 H new ATOM 0 HG12 VAL C 562 4.550 7.500 -1.108 1.00 0.00 H new ATOM 0 HG13 VAL C 562 5.549 7.527 -2.580 1.00 0.00 H new ATOM 0 HG21 VAL C 562 6.130 4.520 -2.676 1.00 0.00 H new ATOM 0 HG22 VAL C 562 7.328 5.814 -2.917 1.00 0.00 H new ATOM 0 HG23 VAL C 562 7.606 4.563 -1.682 1.00 0.00 H new ATOM 72 N SER C 563 8.138 5.179 0.858 1.00 0.00 N ATOM 73 CA SER C 563 9.258 4.320 1.328 1.00 0.00 C ATOM 74 C SER C 563 8.685 2.980 1.784 1.00 0.00 C ATOM 75 O SER C 563 7.660 2.925 2.434 1.00 0.00 O ATOM 76 CB SER C 563 9.972 4.998 2.498 1.00 0.00 C ATOM 77 OG SER C 563 10.362 6.310 2.115 1.00 0.00 O ATOM 0 H SER C 563 7.230 4.962 1.268 1.00 0.00 H new ATOM 0 HA SER C 563 9.973 4.165 0.520 1.00 0.00 H new ATOM 0 HB2 SER C 563 9.313 5.041 3.365 1.00 0.00 H new ATOM 0 HB3 SER C 563 10.847 4.417 2.791 1.00 0.00 H new ATOM 0 HG SER C 563 10.819 6.747 2.864 1.00 0.00 H new ATOM 83 N ALA C 564 9.324 1.895 1.446 1.00 0.00 N ATOM 84 CA ALA C 564 8.789 0.569 1.860 1.00 0.00 C ATOM 85 C ALA C 564 9.808 -0.160 2.736 1.00 0.00 C ATOM 86 O ALA C 564 10.641 -0.900 2.252 1.00 0.00 O ATOM 87 CB ALA C 564 8.490 -0.273 0.619 1.00 0.00 C ATOM 0 H ALA C 564 10.188 1.869 0.905 1.00 0.00 H new ATOM 0 HA ALA C 564 7.872 0.720 2.430 1.00 0.00 H new ATOM 0 HB1 ALA C 564 8.098 -1.244 0.924 1.00 0.00 H new ATOM 0 HB2 ALA C 564 7.752 0.239 0.001 1.00 0.00 H new ATOM 0 HB3 ALA C 564 9.406 -0.415 0.046 1.00 0.00 H new ATOM 93 N VAL C 565 9.735 0.028 4.024 1.00 0.00 N ATOM 94 CA VAL C 565 10.685 -0.669 4.932 1.00 0.00 C ATOM 95 C VAL C 565 10.199 -2.098 5.134 1.00 0.00 C ATOM 96 O VAL C 565 9.024 -2.372 5.022 1.00 0.00 O ATOM 97 CB VAL C 565 10.714 0.030 6.287 1.00 0.00 C ATOM 98 CG1 VAL C 565 12.047 -0.257 6.982 1.00 0.00 C ATOM 99 CG2 VAL C 565 10.559 1.537 6.082 1.00 0.00 C ATOM 0 H VAL C 565 9.058 0.635 4.486 1.00 0.00 H new ATOM 0 HA VAL C 565 11.684 -0.657 4.495 1.00 0.00 H new ATOM 0 HB VAL C 565 9.897 -0.340 6.906 1.00 0.00 H new ATOM 0 HG11 VAL C 565 12.067 0.243 7.950 1.00 0.00 H new ATOM 0 HG12 VAL C 565 12.158 -1.332 7.126 1.00 0.00 H new ATOM 0 HG13 VAL C 565 12.866 0.113 6.365 1.00 0.00 H new ATOM 0 HG21 VAL C 565 10.579 2.040 7.049 1.00 0.00 H new ATOM 0 HG22 VAL C 565 11.377 1.906 5.464 1.00 0.00 H new ATOM 0 HG23 VAL C 565 9.610 1.741 5.587 1.00 0.00 H new ATOM 109 N ARG C 566 11.083 -3.008 5.441 1.00 0.00 N ATOM 110 CA ARG C 566 10.651 -4.415 5.659 1.00 0.00 C ATOM 111 C ARG C 566 10.127 -4.560 7.088 1.00 0.00 C ATOM 112 O ARG C 566 10.689 -5.265 7.903 1.00 0.00 O ATOM 113 CB ARG C 566 11.837 -5.357 5.446 1.00 0.00 C ATOM 114 CG ARG C 566 12.125 -5.479 3.948 1.00 0.00 C ATOM 115 CD ARG C 566 12.230 -6.957 3.566 1.00 0.00 C ATOM 116 NE ARG C 566 13.502 -7.518 4.101 1.00 0.00 N ATOM 117 CZ ARG C 566 14.598 -6.812 4.053 1.00 0.00 C ATOM 118 NH1 ARG C 566 15.178 -6.431 5.159 1.00 0.00 N ATOM 119 NH2 ARG C 566 15.115 -6.485 2.900 1.00 0.00 N ATOM 0 H ARG C 566 12.083 -2.837 5.550 1.00 0.00 H new ATOM 0 HA ARG C 566 9.862 -4.671 4.951 1.00 0.00 H new ATOM 0 HB2 ARG C 566 12.716 -4.977 5.967 1.00 0.00 H new ATOM 0 HB3 ARG C 566 11.617 -6.338 5.867 1.00 0.00 H new ATOM 0 HG2 ARG C 566 11.332 -5.000 3.374 1.00 0.00 H new ATOM 0 HG3 ARG C 566 13.053 -4.962 3.702 1.00 0.00 H new ATOM 0 HD2 ARG C 566 11.380 -7.509 3.967 1.00 0.00 H new ATOM 0 HD3 ARG C 566 12.199 -7.067 2.482 1.00 0.00 H new ATOM 0 HE ARG C 566 13.516 -8.454 4.505 1.00 0.00 H new ATOM 0 HH11 ARG C 566 14.774 -6.685 6.060 1.00 0.00 H new ATOM 0 HH12 ARG C 566 16.035 -5.879 5.122 1.00 0.00 H new ATOM 0 HH21 ARG C 566 14.662 -6.781 2.036 1.00 0.00 H new ATOM 0 HH22 ARG C 566 15.972 -5.933 2.863 1.00 0.00 H new ATOM 133 N GLY C 567 9.049 -3.895 7.389 1.00 0.00 N ATOM 134 CA GLY C 567 8.466 -3.977 8.746 1.00 0.00 C ATOM 135 C GLY C 567 8.259 -5.449 9.102 1.00 0.00 C ATOM 136 O GLY C 567 8.295 -6.308 8.244 1.00 0.00 O ATOM 0 H GLY C 567 8.544 -3.291 6.741 1.00 0.00 H new ATOM 0 HA2 GLY C 567 9.127 -3.502 9.471 1.00 0.00 H new ATOM 0 HA3 GLY C 567 7.517 -3.442 8.783 1.00 0.00 H new ATOM 140 N GLU C 568 8.057 -5.752 10.352 1.00 0.00 N ATOM 141 CA GLU C 568 7.862 -7.176 10.750 1.00 0.00 C ATOM 142 C GLU C 568 6.944 -7.878 9.744 1.00 0.00 C ATOM 143 O GLU C 568 6.110 -7.262 9.112 1.00 0.00 O ATOM 144 CB GLU C 568 7.228 -7.233 12.141 1.00 0.00 C ATOM 145 CG GLU C 568 8.281 -6.890 13.197 1.00 0.00 C ATOM 146 CD GLU C 568 7.805 -5.693 14.022 1.00 0.00 C ATOM 147 OE1 GLU C 568 7.103 -4.861 13.472 1.00 0.00 O ATOM 148 OE2 GLU C 568 8.151 -5.628 15.190 1.00 0.00 O ATOM 0 H GLU C 568 8.018 -5.078 11.116 1.00 0.00 H new ATOM 0 HA GLU C 568 8.829 -7.679 10.765 1.00 0.00 H new ATOM 0 HB2 GLU C 568 6.395 -6.532 12.202 1.00 0.00 H new ATOM 0 HB3 GLU C 568 6.822 -8.227 12.327 1.00 0.00 H new ATOM 0 HG2 GLU C 568 8.453 -7.748 13.847 1.00 0.00 H new ATOM 0 HG3 GLU C 568 9.232 -6.659 12.716 1.00 0.00 H new ATOM 155 N GLU C 569 7.087 -9.166 9.595 1.00 0.00 N ATOM 156 CA GLU C 569 6.214 -9.905 8.638 1.00 0.00 C ATOM 157 C GLU C 569 6.224 -11.390 9.000 1.00 0.00 C ATOM 158 O GLU C 569 7.115 -12.128 8.627 1.00 0.00 O ATOM 159 CB GLU C 569 6.711 -9.728 7.196 1.00 0.00 C ATOM 160 CG GLU C 569 7.616 -8.497 7.096 1.00 0.00 C ATOM 161 CD GLU C 569 8.331 -8.498 5.743 1.00 0.00 C ATOM 162 OE1 GLU C 569 8.673 -9.572 5.277 1.00 0.00 O ATOM 163 OE2 GLU C 569 8.524 -7.424 5.197 1.00 0.00 O ATOM 0 H GLU C 569 7.769 -9.738 10.093 1.00 0.00 H new ATOM 0 HA GLU C 569 5.202 -9.506 8.705 1.00 0.00 H new ATOM 0 HB2 GLU C 569 7.257 -10.617 6.880 1.00 0.00 H new ATOM 0 HB3 GLU C 569 5.862 -9.620 6.522 1.00 0.00 H new ATOM 0 HG2 GLU C 569 7.025 -7.588 7.206 1.00 0.00 H new ATOM 0 HG3 GLU C 569 8.346 -8.503 7.905 1.00 0.00 H new ATOM 170 N TRP C 570 5.238 -11.829 9.729 1.00 0.00 N ATOM 171 CA TRP C 570 5.175 -13.262 10.128 1.00 0.00 C ATOM 172 C TRP C 570 5.189 -14.143 8.877 1.00 0.00 C ATOM 173 O TRP C 570 5.006 -13.672 7.773 1.00 0.00 O ATOM 174 CB TRP C 570 3.883 -13.513 10.908 1.00 0.00 C ATOM 175 CG TRP C 570 3.772 -12.532 12.032 1.00 0.00 C ATOM 176 CD1 TRP C 570 4.186 -12.759 13.299 1.00 0.00 C ATOM 177 CD2 TRP C 570 3.218 -11.181 12.019 1.00 0.00 C ATOM 178 NE1 TRP C 570 3.921 -11.639 14.066 1.00 0.00 N ATOM 179 CE2 TRP C 570 3.324 -10.640 13.323 1.00 0.00 C ATOM 180 CE3 TRP C 570 2.636 -10.378 11.016 1.00 0.00 C ATOM 181 CZ2 TRP C 570 2.873 -9.354 13.622 1.00 0.00 C ATOM 182 CZ3 TRP C 570 2.182 -9.083 11.315 1.00 0.00 C ATOM 183 CH2 TRP C 570 2.300 -8.573 12.616 1.00 0.00 C ATOM 0 H TRP C 570 4.468 -11.253 10.068 1.00 0.00 H new ATOM 0 HA TRP C 570 6.035 -13.504 10.752 1.00 0.00 H new ATOM 0 HB2 TRP C 570 3.023 -13.419 10.245 1.00 0.00 H new ATOM 0 HB3 TRP C 570 3.875 -14.530 11.299 1.00 0.00 H new ATOM 0 HD1 TRP C 570 4.649 -13.668 13.655 1.00 0.00 H new ATOM 0 HE1 TRP C 570 4.140 -11.561 15.059 1.00 0.00 H new ATOM 0 HE3 TRP C 570 2.539 -10.762 10.011 1.00 0.00 H new ATOM 0 HZ2 TRP C 570 2.966 -8.965 14.625 1.00 0.00 H new ATOM 0 HZ3 TRP C 570 1.740 -8.477 10.539 1.00 0.00 H new ATOM 0 HH2 TRP C 570 1.948 -7.577 12.840 1.00 0.00 H new ATOM 194 N ALA C 571 5.398 -15.421 9.043 1.00 0.00 N ATOM 195 CA ALA C 571 5.415 -16.330 7.863 1.00 0.00 C ATOM 196 C ALA C 571 4.011 -16.396 7.260 1.00 0.00 C ATOM 197 O ALA C 571 3.838 -16.679 6.092 1.00 0.00 O ATOM 198 CB ALA C 571 5.849 -17.730 8.304 1.00 0.00 C ATOM 0 H ALA C 571 5.557 -15.874 9.943 1.00 0.00 H new ATOM 0 HA ALA C 571 6.116 -15.953 7.118 1.00 0.00 H new ATOM 0 HB1 ALA C 571 5.862 -18.396 7.441 1.00 0.00 H new ATOM 0 HB2 ALA C 571 6.847 -17.681 8.739 1.00 0.00 H new ATOM 0 HB3 ALA C 571 5.148 -18.111 9.046 1.00 0.00 H new ATOM 204 N ASP C 572 3.006 -16.133 8.051 1.00 0.00 N ATOM 205 CA ASP C 572 1.612 -16.175 7.528 1.00 0.00 C ATOM 206 C ASP C 572 1.015 -14.766 7.561 1.00 0.00 C ATOM 207 O ASP C 572 -0.066 -14.528 7.060 1.00 0.00 O ATOM 208 CB ASP C 572 0.769 -17.109 8.399 1.00 0.00 C ATOM 209 CG ASP C 572 1.523 -18.420 8.622 1.00 0.00 C ATOM 210 OD1 ASP C 572 1.622 -19.191 7.682 1.00 0.00 O ATOM 211 OD2 ASP C 572 1.990 -18.631 9.730 1.00 0.00 O ATOM 0 H ASP C 572 3.091 -15.891 9.038 1.00 0.00 H new ATOM 0 HA ASP C 572 1.617 -16.544 6.502 1.00 0.00 H new ATOM 0 HB2 ASP C 572 0.553 -16.634 9.356 1.00 0.00 H new ATOM 0 HB3 ASP C 572 -0.189 -17.306 7.918 1.00 0.00 H new ATOM 216 N ARG C 573 1.711 -13.829 8.146 1.00 0.00 N ATOM 217 CA ARG C 573 1.186 -12.436 8.209 1.00 0.00 C ATOM 218 C ARG C 573 2.295 -11.456 7.837 1.00 0.00 C ATOM 219 O ARG C 573 3.461 -11.799 7.819 1.00 0.00 O ATOM 220 CB ARG C 573 0.707 -12.126 9.630 1.00 0.00 C ATOM 221 CG ARG C 573 -0.721 -12.624 9.805 1.00 0.00 C ATOM 222 CD ARG C 573 -1.510 -11.629 10.660 1.00 0.00 C ATOM 223 NE ARG C 573 -2.381 -12.374 11.610 1.00 0.00 N ATOM 224 CZ ARG C 573 -1.849 -13.064 12.583 1.00 0.00 C ATOM 225 NH1 ARG C 573 -0.590 -12.902 12.884 1.00 0.00 N ATOM 226 NH2 ARG C 573 -2.576 -13.916 13.252 1.00 0.00 N ATOM 0 H ARG C 573 2.622 -13.969 8.583 1.00 0.00 H new ATOM 0 HA ARG C 573 0.354 -12.338 7.512 1.00 0.00 H new ATOM 0 HB2 ARG C 573 1.362 -12.604 10.358 1.00 0.00 H new ATOM 0 HB3 ARG C 573 0.754 -11.053 9.815 1.00 0.00 H new ATOM 0 HG2 ARG C 573 -1.198 -12.741 8.832 1.00 0.00 H new ATOM 0 HG3 ARG C 573 -0.719 -13.605 10.279 1.00 0.00 H new ATOM 0 HD2 ARG C 573 -0.826 -10.981 11.208 1.00 0.00 H new ATOM 0 HD3 ARG C 573 -2.116 -10.985 10.022 1.00 0.00 H new ATOM 0 HE ARG C 573 -3.395 -12.346 11.501 1.00 0.00 H new ATOM 0 HH11 ARG C 573 -0.022 -12.237 12.360 1.00 0.00 H new ATOM 0 HH12 ARG C 573 -0.174 -13.441 13.644 1.00 0.00 H new ATOM 0 HH21 ARG C 573 -3.560 -14.043 13.015 1.00 0.00 H new ATOM 0 HH22 ARG C 573 -2.160 -14.455 14.012 1.00 0.00 H new ATOM 240 N PHE C 574 1.943 -10.238 7.540 1.00 0.00 N ATOM 241 CA PHE C 574 2.976 -9.239 7.170 1.00 0.00 C ATOM 242 C PHE C 574 2.816 -7.963 7.999 1.00 0.00 C ATOM 243 O PHE C 574 1.785 -7.717 8.591 1.00 0.00 O ATOM 244 CB PHE C 574 2.815 -8.887 5.699 1.00 0.00 C ATOM 245 CG PHE C 574 4.060 -9.249 4.943 1.00 0.00 C ATOM 246 CD1 PHE C 574 4.313 -10.583 4.623 1.00 0.00 C ATOM 247 CD2 PHE C 574 4.947 -8.248 4.548 1.00 0.00 C ATOM 248 CE1 PHE C 574 5.466 -10.918 3.900 1.00 0.00 C ATOM 249 CE2 PHE C 574 6.099 -8.577 3.833 1.00 0.00 C ATOM 250 CZ PHE C 574 6.360 -9.912 3.506 1.00 0.00 C ATOM 0 H PHE C 574 0.983 -9.893 7.538 1.00 0.00 H new ATOM 0 HA PHE C 574 3.961 -9.665 7.361 1.00 0.00 H new ATOM 0 HB2 PHE C 574 1.959 -9.418 5.282 1.00 0.00 H new ATOM 0 HB3 PHE C 574 2.612 -7.821 5.592 1.00 0.00 H new ATOM 0 HD1 PHE C 574 3.623 -11.355 4.931 1.00 0.00 H new ATOM 0 HD2 PHE C 574 4.742 -7.217 4.796 1.00 0.00 H new ATOM 0 HE1 PHE C 574 5.666 -11.949 3.647 1.00 0.00 H new ATOM 0 HE2 PHE C 574 6.788 -7.802 3.532 1.00 0.00 H new ATOM 0 HZ PHE C 574 7.250 -10.168 2.950 1.00 0.00 H new ATOM 260 N ASN C 575 3.833 -7.140 8.023 1.00 0.00 N ATOM 261 CA ASN C 575 3.759 -5.864 8.791 1.00 0.00 C ATOM 262 C ASN C 575 4.779 -4.888 8.222 1.00 0.00 C ATOM 263 O ASN C 575 5.750 -4.549 8.866 1.00 0.00 O ATOM 264 CB ASN C 575 4.109 -6.113 10.250 1.00 0.00 C ATOM 265 CG ASN C 575 3.337 -5.136 11.138 1.00 0.00 C ATOM 266 OD1 ASN C 575 3.896 -4.547 12.042 1.00 0.00 O ATOM 267 ND2 ASN C 575 2.068 -4.940 10.917 1.00 0.00 N ATOM 0 H ASN C 575 4.717 -7.300 7.540 1.00 0.00 H new ATOM 0 HA ASN C 575 2.749 -5.462 8.716 1.00 0.00 H new ATOM 0 HB2 ASN C 575 3.864 -7.139 10.523 1.00 0.00 H new ATOM 0 HB3 ASN C 575 5.181 -5.990 10.403 1.00 0.00 H new ATOM 0 HD21 ASN C 575 1.542 -4.291 11.503 1.00 0.00 H new ATOM 0 HD22 ASN C 575 1.600 -5.435 10.158 1.00 0.00 H new ATOM 274 N VAL C 576 4.574 -4.438 7.026 1.00 0.00 N ATOM 275 CA VAL C 576 5.550 -3.487 6.428 1.00 0.00 C ATOM 276 C VAL C 576 5.296 -2.087 6.971 1.00 0.00 C ATOM 277 O VAL C 576 4.194 -1.738 7.350 1.00 0.00 O ATOM 278 CB VAL C 576 5.400 -3.458 4.909 1.00 0.00 C ATOM 279 CG1 VAL C 576 6.656 -2.866 4.278 1.00 0.00 C ATOM 280 CG2 VAL C 576 5.196 -4.877 4.381 1.00 0.00 C ATOM 0 H VAL C 576 3.779 -4.682 6.435 1.00 0.00 H new ATOM 0 HA VAL C 576 6.557 -3.814 6.687 1.00 0.00 H new ATOM 0 HB VAL C 576 4.537 -2.845 4.651 1.00 0.00 H new ATOM 0 HG11 VAL C 576 6.544 -2.847 3.194 1.00 0.00 H new ATOM 0 HG12 VAL C 576 6.804 -1.850 4.645 1.00 0.00 H new ATOM 0 HG13 VAL C 576 7.519 -3.477 4.543 1.00 0.00 H new ATOM 0 HG21 VAL C 576 5.090 -4.850 3.297 1.00 0.00 H new ATOM 0 HG22 VAL C 576 6.057 -5.491 4.646 1.00 0.00 H new ATOM 0 HG23 VAL C 576 4.296 -5.304 4.823 1.00 0.00 H new ATOM 290 N THR C 577 6.313 -1.284 7.001 1.00 0.00 N ATOM 291 CA THR C 577 6.158 0.109 7.506 1.00 0.00 C ATOM 292 C THR C 577 6.362 1.088 6.348 1.00 0.00 C ATOM 293 O THR C 577 7.467 1.503 6.062 1.00 0.00 O ATOM 294 CB THR C 577 7.204 0.377 8.593 1.00 0.00 C ATOM 295 OG1 THR C 577 6.998 -0.519 9.676 1.00 0.00 O ATOM 296 CG2 THR C 577 7.069 1.818 9.087 1.00 0.00 C ATOM 0 H THR C 577 7.255 -1.530 6.696 1.00 0.00 H new ATOM 0 HA THR C 577 5.160 0.239 7.925 1.00 0.00 H new ATOM 0 HB THR C 577 8.203 0.228 8.183 1.00 0.00 H new ATOM 0 HG1 THR C 577 7.667 -0.350 10.372 1.00 0.00 H new ATOM 0 HG21 THR C 577 7.813 2.009 9.860 1.00 0.00 H new ATOM 0 HG22 THR C 577 7.226 2.504 8.255 1.00 0.00 H new ATOM 0 HG23 THR C 577 6.071 1.970 9.498 1.00 0.00 H new ATOM 304 N TYR C 578 5.306 1.457 5.677 1.00 0.00 N ATOM 305 CA TYR C 578 5.443 2.405 4.535 1.00 0.00 C ATOM 306 C TYR C 578 5.407 3.843 5.056 1.00 0.00 C ATOM 307 O TYR C 578 4.792 4.132 6.063 1.00 0.00 O ATOM 308 CB TYR C 578 4.293 2.182 3.551 1.00 0.00 C ATOM 309 CG TYR C 578 4.273 0.732 3.128 1.00 0.00 C ATOM 310 CD1 TYR C 578 5.281 0.235 2.292 1.00 0.00 C ATOM 311 CD2 TYR C 578 3.253 -0.117 3.574 1.00 0.00 C ATOM 312 CE1 TYR C 578 5.268 -1.110 1.903 1.00 0.00 C ATOM 313 CE2 TYR C 578 3.240 -1.461 3.184 1.00 0.00 C ATOM 314 CZ TYR C 578 4.248 -1.958 2.349 1.00 0.00 C ATOM 315 OH TYR C 578 4.236 -3.285 1.965 1.00 0.00 O ATOM 0 H TYR C 578 4.355 1.144 5.870 1.00 0.00 H new ATOM 0 HA TYR C 578 6.392 2.232 4.028 1.00 0.00 H new ATOM 0 HB2 TYR C 578 3.344 2.450 4.016 1.00 0.00 H new ATOM 0 HB3 TYR C 578 4.415 2.825 2.680 1.00 0.00 H new ATOM 0 HD1 TYR C 578 6.068 0.889 1.947 1.00 0.00 H new ATOM 0 HD2 TYR C 578 2.476 0.265 4.219 1.00 0.00 H new ATOM 0 HE1 TYR C 578 6.045 -1.493 1.259 1.00 0.00 H new ATOM 0 HE2 TYR C 578 2.452 -2.115 3.527 1.00 0.00 H new ATOM 0 HH TYR C 578 3.479 -3.741 2.389 1.00 0.00 H new ATOM 325 N SER C 579 6.067 4.746 4.383 1.00 0.00 N ATOM 326 CA SER C 579 6.071 6.162 4.847 1.00 0.00 C ATOM 327 C SER C 579 5.913 7.102 3.650 1.00 0.00 C ATOM 328 O SER C 579 6.592 6.973 2.650 1.00 0.00 O ATOM 329 CB SER C 579 7.394 6.460 5.555 1.00 0.00 C ATOM 330 OG SER C 579 7.321 6.000 6.898 1.00 0.00 O ATOM 0 H SER C 579 6.602 4.565 3.534 1.00 0.00 H new ATOM 0 HA SER C 579 5.241 6.316 5.537 1.00 0.00 H new ATOM 0 HB2 SER C 579 8.217 5.970 5.035 1.00 0.00 H new ATOM 0 HB3 SER C 579 7.597 7.531 5.536 1.00 0.00 H new ATOM 0 HG SER C 579 6.584 5.360 6.985 1.00 0.00 H new ATOM 336 N VAL C 580 5.019 8.047 3.747 1.00 0.00 N ATOM 337 CA VAL C 580 4.808 9.002 2.623 1.00 0.00 C ATOM 338 C VAL C 580 5.398 10.364 3.004 1.00 0.00 C ATOM 339 O VAL C 580 5.527 10.692 4.166 1.00 0.00 O ATOM 340 CB VAL C 580 3.299 9.122 2.352 1.00 0.00 C ATOM 341 CG1 VAL C 580 2.961 10.476 1.720 1.00 0.00 C ATOM 342 CG2 VAL C 580 2.881 8.009 1.395 1.00 0.00 C ATOM 0 H VAL C 580 4.423 8.199 4.560 1.00 0.00 H new ATOM 0 HA VAL C 580 5.304 8.646 1.720 1.00 0.00 H new ATOM 0 HB VAL C 580 2.765 9.038 3.299 1.00 0.00 H new ATOM 0 HG11 VAL C 580 1.888 10.535 1.539 1.00 0.00 H new ATOM 0 HG12 VAL C 580 3.259 11.278 2.396 1.00 0.00 H new ATOM 0 HG13 VAL C 580 3.495 10.580 0.775 1.00 0.00 H new ATOM 0 HG21 VAL C 580 1.812 8.083 1.195 1.00 0.00 H new ATOM 0 HG22 VAL C 580 3.433 8.107 0.460 1.00 0.00 H new ATOM 0 HG23 VAL C 580 3.099 7.041 1.846 1.00 0.00 H new ATOM 352 N SER C 581 5.758 11.159 2.032 1.00 0.00 N ATOM 353 CA SER C 581 6.340 12.495 2.343 1.00 0.00 C ATOM 354 C SER C 581 6.168 13.419 1.137 1.00 0.00 C ATOM 355 O SER C 581 7.129 13.851 0.532 1.00 0.00 O ATOM 356 CB SER C 581 7.828 12.343 2.662 1.00 0.00 C ATOM 357 OG SER C 581 8.012 12.374 4.070 1.00 0.00 O ATOM 0 H SER C 581 5.674 10.941 1.039 1.00 0.00 H new ATOM 0 HA SER C 581 5.827 12.923 3.204 1.00 0.00 H new ATOM 0 HB2 SER C 581 8.205 11.405 2.255 1.00 0.00 H new ATOM 0 HB3 SER C 581 8.396 13.145 2.192 1.00 0.00 H new ATOM 0 HG SER C 581 7.305 11.851 4.504 1.00 0.00 H new ATOM 363 N GLY C 582 4.951 13.728 0.783 1.00 0.00 N ATOM 364 CA GLY C 582 4.720 14.624 -0.385 1.00 0.00 C ATOM 365 C GLY C 582 3.292 14.439 -0.899 1.00 0.00 C ATOM 366 O GLY C 582 2.722 15.325 -1.505 1.00 0.00 O ATOM 0 H GLY C 582 4.107 13.399 1.252 1.00 0.00 H new ATOM 0 HA2 GLY C 582 4.882 15.663 -0.097 1.00 0.00 H new ATOM 0 HA3 GLY C 582 5.434 14.398 -1.177 1.00 0.00 H new ATOM 370 N SER C 583 2.708 13.296 -0.664 1.00 0.00 N ATOM 371 CA SER C 583 1.317 13.060 -1.143 1.00 0.00 C ATOM 372 C SER C 583 0.323 13.537 -0.083 1.00 0.00 C ATOM 373 O SER C 583 -0.168 12.761 0.714 1.00 0.00 O ATOM 374 CB SER C 583 1.113 11.567 -1.399 1.00 0.00 C ATOM 375 OG SER C 583 1.367 11.287 -2.769 1.00 0.00 O ATOM 0 H SER C 583 3.133 12.517 -0.162 1.00 0.00 H new ATOM 0 HA SER C 583 1.153 13.613 -2.068 1.00 0.00 H new ATOM 0 HB2 SER C 583 1.782 10.983 -0.766 1.00 0.00 H new ATOM 0 HB3 SER C 583 0.095 11.277 -1.139 1.00 0.00 H new ATOM 0 HG SER C 583 1.239 10.330 -2.937 1.00 0.00 H new ATOM 381 N SER C 584 0.017 14.807 -0.067 1.00 0.00 N ATOM 382 CA SER C 584 -0.949 15.328 0.942 1.00 0.00 C ATOM 383 C SER C 584 -2.143 14.377 1.033 1.00 0.00 C ATOM 384 O SER C 584 -2.273 13.615 1.970 1.00 0.00 O ATOM 385 CB SER C 584 -1.432 16.715 0.518 1.00 0.00 C ATOM 386 OG SER C 584 -1.258 16.864 -0.886 1.00 0.00 O ATOM 0 H SER C 584 0.394 15.505 -0.708 1.00 0.00 H new ATOM 0 HA SER C 584 -0.461 15.398 1.914 1.00 0.00 H new ATOM 0 HB2 SER C 584 -2.482 16.844 0.782 1.00 0.00 H new ATOM 0 HB3 SER C 584 -0.873 17.486 1.049 1.00 0.00 H new ATOM 0 HG SER C 584 -1.568 17.752 -1.162 1.00 0.00 H new ATOM 392 N SER C 585 -3.012 14.408 0.060 1.00 0.00 N ATOM 393 CA SER C 585 -4.192 13.498 0.088 1.00 0.00 C ATOM 394 C SER C 585 -3.759 12.109 -0.381 1.00 0.00 C ATOM 395 O SER C 585 -3.109 11.962 -1.397 1.00 0.00 O ATOM 396 CB SER C 585 -5.277 14.038 -0.844 1.00 0.00 C ATOM 397 OG SER C 585 -6.484 13.320 -0.624 1.00 0.00 O ATOM 0 H SER C 585 -2.956 15.023 -0.752 1.00 0.00 H new ATOM 0 HA SER C 585 -4.588 13.438 1.102 1.00 0.00 H new ATOM 0 HB2 SER C 585 -5.434 15.101 -0.661 1.00 0.00 H new ATOM 0 HB3 SER C 585 -4.964 13.936 -1.883 1.00 0.00 H new ATOM 0 HG SER C 585 -7.183 13.665 -1.219 1.00 0.00 H new ATOM 403 N TRP C 586 -4.105 11.086 0.351 1.00 0.00 N ATOM 404 CA TRP C 586 -3.700 9.712 -0.058 1.00 0.00 C ATOM 405 C TRP C 586 -4.450 9.258 -1.307 1.00 0.00 C ATOM 406 O TRP C 586 -5.660 9.333 -1.397 1.00 0.00 O ATOM 407 CB TRP C 586 -3.965 8.724 1.077 1.00 0.00 C ATOM 408 CG TRP C 586 -2.719 8.553 1.880 1.00 0.00 C ATOM 409 CD1 TRP C 586 -2.414 9.220 3.016 1.00 0.00 C ATOM 410 CD2 TRP C 586 -1.601 7.654 1.621 1.00 0.00 C ATOM 411 NE1 TRP C 586 -1.179 8.785 3.467 1.00 0.00 N ATOM 412 CE2 TRP C 586 -0.643 7.822 2.643 1.00 0.00 C ATOM 413 CE3 TRP C 586 -1.330 6.718 0.608 1.00 0.00 C ATOM 414 CZ2 TRP C 586 0.540 7.092 2.666 1.00 0.00 C ATOM 415 CZ3 TRP C 586 -0.137 5.978 0.624 1.00 0.00 C ATOM 416 CH2 TRP C 586 0.796 6.164 1.652 1.00 0.00 C ATOM 0 H TRP C 586 -4.649 11.142 1.212 1.00 0.00 H new ATOM 0 HA TRP C 586 -2.634 9.737 -0.284 1.00 0.00 H new ATOM 0 HB2 TRP C 586 -4.773 9.088 1.711 1.00 0.00 H new ATOM 0 HB3 TRP C 586 -4.286 7.764 0.672 1.00 0.00 H new ATOM 0 HD1 TRP C 586 -3.031 9.968 3.492 1.00 0.00 H new ATOM 0 HE1 TRP C 586 -0.722 9.136 4.308 1.00 0.00 H new ATOM 0 HE3 TRP C 586 -2.044 6.567 -0.188 1.00 0.00 H new ATOM 0 HZ2 TRP C 586 1.256 7.241 3.461 1.00 0.00 H new ATOM 0 HZ3 TRP C 586 0.062 5.262 -0.160 1.00 0.00 H new ATOM 0 HH2 TRP C 586 1.712 5.591 1.661 1.00 0.00 H new ATOM 427 N VAL C 587 -3.715 8.763 -2.258 1.00 0.00 N ATOM 428 CA VAL C 587 -4.314 8.256 -3.519 1.00 0.00 C ATOM 429 C VAL C 587 -3.300 7.301 -4.144 1.00 0.00 C ATOM 430 O VAL C 587 -3.211 7.157 -5.347 1.00 0.00 O ATOM 431 CB VAL C 587 -4.590 9.416 -4.479 1.00 0.00 C ATOM 432 CG1 VAL C 587 -5.699 9.012 -5.452 1.00 0.00 C ATOM 433 CG2 VAL C 587 -5.035 10.645 -3.683 1.00 0.00 C ATOM 0 H VAL C 587 -2.699 8.687 -2.213 1.00 0.00 H new ATOM 0 HA VAL C 587 -5.259 7.751 -3.319 1.00 0.00 H new ATOM 0 HB VAL C 587 -3.683 9.654 -5.034 1.00 0.00 H new ATOM 0 HG11 VAL C 587 -5.899 9.835 -6.138 1.00 0.00 H new ATOM 0 HG12 VAL C 587 -5.384 8.136 -6.019 1.00 0.00 H new ATOM 0 HG13 VAL C 587 -6.605 8.777 -4.894 1.00 0.00 H new ATOM 0 HG21 VAL C 587 -5.231 11.470 -4.367 1.00 0.00 H new ATOM 0 HG22 VAL C 587 -5.943 10.410 -3.128 1.00 0.00 H new ATOM 0 HG23 VAL C 587 -4.248 10.931 -2.986 1.00 0.00 H new ATOM 443 N VAL C 588 -2.522 6.662 -3.312 1.00 0.00 N ATOM 444 CA VAL C 588 -1.483 5.722 -3.810 1.00 0.00 C ATOM 445 C VAL C 588 -2.120 4.390 -4.179 1.00 0.00 C ATOM 446 O VAL C 588 -3.227 4.080 -3.786 1.00 0.00 O ATOM 447 CB VAL C 588 -0.448 5.483 -2.698 1.00 0.00 C ATOM 448 CG1 VAL C 588 0.143 4.062 -2.802 1.00 0.00 C ATOM 449 CG2 VAL C 588 0.673 6.509 -2.826 1.00 0.00 C ATOM 0 H VAL C 588 -2.565 6.754 -2.297 1.00 0.00 H new ATOM 0 HA VAL C 588 -1.004 6.152 -4.690 1.00 0.00 H new ATOM 0 HB VAL C 588 -0.940 5.586 -1.731 1.00 0.00 H new ATOM 0 HG11 VAL C 588 0.873 3.912 -2.007 1.00 0.00 H new ATOM 0 HG12 VAL C 588 -0.656 3.327 -2.704 1.00 0.00 H new ATOM 0 HG13 VAL C 588 0.630 3.941 -3.769 1.00 0.00 H new ATOM 0 HG21 VAL C 588 1.409 6.343 -2.040 1.00 0.00 H new ATOM 0 HG22 VAL C 588 1.152 6.405 -3.799 1.00 0.00 H new ATOM 0 HG23 VAL C 588 0.260 7.513 -2.731 1.00 0.00 H new ATOM 459 N THR C 589 -1.391 3.589 -4.898 1.00 0.00 N ATOM 460 CA THR C 589 -1.905 2.248 -5.268 1.00 0.00 C ATOM 461 C THR C 589 -1.102 1.188 -4.511 1.00 0.00 C ATOM 462 O THR C 589 0.008 1.431 -4.081 1.00 0.00 O ATOM 463 CB THR C 589 -1.762 2.032 -6.777 1.00 0.00 C ATOM 464 OG1 THR C 589 -0.850 2.985 -7.304 1.00 0.00 O ATOM 465 CG2 THR C 589 -3.125 2.199 -7.450 1.00 0.00 C ATOM 0 H THR C 589 -0.457 3.807 -5.246 1.00 0.00 H new ATOM 0 HA THR C 589 -2.960 2.171 -5.004 1.00 0.00 H new ATOM 0 HB THR C 589 -1.388 1.026 -6.968 1.00 0.00 H new ATOM 0 HG1 THR C 589 -0.755 2.848 -8.270 1.00 0.00 H new ATOM 0 HG21 THR C 589 -3.022 2.045 -8.524 1.00 0.00 H new ATOM 0 HG22 THR C 589 -3.823 1.467 -7.044 1.00 0.00 H new ATOM 0 HG23 THR C 589 -3.503 3.204 -7.262 1.00 0.00 H new ATOM 473 N LEU C 590 -1.652 0.020 -4.333 1.00 0.00 N ATOM 474 CA LEU C 590 -0.913 -1.043 -3.593 1.00 0.00 C ATOM 475 C LEU C 590 -0.752 -2.273 -4.486 1.00 0.00 C ATOM 476 O LEU C 590 -1.691 -2.726 -5.109 1.00 0.00 O ATOM 477 CB LEU C 590 -1.696 -1.426 -2.334 1.00 0.00 C ATOM 478 CG LEU C 590 -1.250 -0.544 -1.168 1.00 0.00 C ATOM 479 CD1 LEU C 590 -2.223 0.626 -1.009 1.00 0.00 C ATOM 480 CD2 LEU C 590 -1.237 -1.371 0.120 1.00 0.00 C ATOM 0 H LEU C 590 -2.579 -0.245 -4.666 1.00 0.00 H new ATOM 0 HA LEU C 590 0.071 -0.670 -3.311 1.00 0.00 H new ATOM 0 HB2 LEU C 590 -2.765 -1.305 -2.507 1.00 0.00 H new ATOM 0 HB3 LEU C 590 -1.529 -2.476 -2.094 1.00 0.00 H new ATOM 0 HG LEU C 590 -0.249 -0.160 -1.367 1.00 0.00 H new ATOM 0 HD11 LEU C 590 -1.904 1.254 -0.177 1.00 0.00 H new ATOM 0 HD12 LEU C 590 -2.235 1.216 -1.925 1.00 0.00 H new ATOM 0 HD13 LEU C 590 -3.224 0.243 -0.811 1.00 0.00 H new ATOM 0 HD21 LEU C 590 -0.919 -0.743 0.952 1.00 0.00 H new ATOM 0 HD22 LEU C 590 -2.238 -1.754 0.316 1.00 0.00 H new ATOM 0 HD23 LEU C 590 -0.544 -2.205 0.010 1.00 0.00 H new ATOM 492 N GLY C 591 0.435 -2.816 -4.552 1.00 0.00 N ATOM 493 CA GLY C 591 0.656 -4.018 -5.406 1.00 0.00 C ATOM 494 C GLY C 591 0.975 -5.224 -4.523 1.00 0.00 C ATOM 495 O GLY C 591 2.113 -5.632 -4.399 1.00 0.00 O ATOM 0 H GLY C 591 1.258 -2.480 -4.053 1.00 0.00 H new ATOM 0 HA2 GLY C 591 -0.232 -4.219 -6.006 1.00 0.00 H new ATOM 0 HA3 GLY C 591 1.476 -3.837 -6.101 1.00 0.00 H new ATOM 499 N LEU C 592 -0.021 -5.800 -3.906 1.00 0.00 N ATOM 500 CA LEU C 592 0.219 -6.975 -3.036 1.00 0.00 C ATOM 501 C LEU C 592 0.882 -8.088 -3.850 1.00 0.00 C ATOM 502 O LEU C 592 0.605 -8.264 -5.019 1.00 0.00 O ATOM 503 CB LEU C 592 -1.121 -7.468 -2.488 1.00 0.00 C ATOM 504 CG LEU C 592 -1.993 -6.278 -2.072 1.00 0.00 C ATOM 505 CD1 LEU C 592 -3.123 -6.771 -1.166 1.00 0.00 C ATOM 506 CD2 LEU C 592 -1.145 -5.255 -1.311 1.00 0.00 C ATOM 0 H LEU C 592 -0.994 -5.502 -3.971 1.00 0.00 H new ATOM 0 HA LEU C 592 0.875 -6.697 -2.211 1.00 0.00 H new ATOM 0 HB2 LEU C 592 -1.637 -8.059 -3.245 1.00 0.00 H new ATOM 0 HB3 LEU C 592 -0.954 -8.122 -1.632 1.00 0.00 H new ATOM 0 HG LEU C 592 -2.411 -5.809 -2.963 1.00 0.00 H new ATOM 0 HD11 LEU C 592 -3.745 -5.927 -0.868 1.00 0.00 H new ATOM 0 HD12 LEU C 592 -3.731 -7.498 -1.705 1.00 0.00 H new ATOM 0 HD13 LEU C 592 -2.699 -7.240 -0.278 1.00 0.00 H new ATOM 0 HD21 LEU C 592 -1.769 -4.411 -1.018 1.00 0.00 H new ATOM 0 HD22 LEU C 592 -0.724 -5.722 -0.421 1.00 0.00 H new ATOM 0 HD23 LEU C 592 -0.337 -4.903 -1.952 1.00 0.00 H new ATOM 518 N ASN C 593 1.756 -8.841 -3.241 1.00 0.00 N ATOM 519 CA ASN C 593 2.435 -9.942 -3.981 1.00 0.00 C ATOM 520 C ASN C 593 1.885 -11.290 -3.510 1.00 0.00 C ATOM 521 O ASN C 593 1.962 -11.630 -2.346 1.00 0.00 O ATOM 522 CB ASN C 593 3.941 -9.885 -3.713 1.00 0.00 C ATOM 523 CG ASN C 593 4.546 -8.692 -4.455 1.00 0.00 C ATOM 524 OD1 ASN C 593 4.144 -8.382 -5.559 1.00 0.00 O ATOM 525 ND2 ASN C 593 5.502 -8.006 -3.891 1.00 0.00 N ATOM 0 H ASN C 593 2.029 -8.742 -2.263 1.00 0.00 H new ATOM 0 HA ASN C 593 2.251 -9.828 -5.049 1.00 0.00 H new ATOM 0 HB2 ASN C 593 4.128 -9.794 -2.643 1.00 0.00 H new ATOM 0 HB3 ASN C 593 4.415 -10.810 -4.042 1.00 0.00 H new ATOM 0 HD21 ASN C 593 5.913 -7.209 -4.377 1.00 0.00 H new ATOM 0 HD22 ASN C 593 5.839 -8.267 -2.964 1.00 0.00 H new ATOM 532 N GLY C 594 1.329 -12.060 -4.404 1.00 0.00 N ATOM 533 CA GLY C 594 0.774 -13.385 -4.007 1.00 0.00 C ATOM 534 C GLY C 594 -0.685 -13.221 -3.579 1.00 0.00 C ATOM 535 O GLY C 594 -1.167 -13.913 -2.705 1.00 0.00 O ATOM 0 H GLY C 594 1.235 -11.829 -5.393 1.00 0.00 H new ATOM 0 HA2 GLY C 594 0.843 -14.084 -4.840 1.00 0.00 H new ATOM 0 HA3 GLY C 594 1.359 -13.805 -3.189 1.00 0.00 H new ATOM 539 N GLY C 595 -1.393 -12.310 -4.189 1.00 0.00 N ATOM 540 CA GLY C 595 -2.820 -12.103 -3.817 1.00 0.00 C ATOM 541 C GLY C 595 -2.939 -11.963 -2.299 1.00 0.00 C ATOM 542 O GLY C 595 -3.795 -12.560 -1.675 1.00 0.00 O ATOM 0 H GLY C 595 -1.044 -11.700 -4.929 1.00 0.00 H new ATOM 0 HA2 GLY C 595 -3.208 -11.210 -4.306 1.00 0.00 H new ATOM 0 HA3 GLY C 595 -3.422 -12.943 -4.163 1.00 0.00 H new ATOM 546 N GLN C 596 -2.086 -11.180 -1.697 1.00 0.00 N ATOM 547 CA GLN C 596 -2.150 -11.003 -0.219 1.00 0.00 C ATOM 548 C GLN C 596 -3.318 -10.081 0.134 1.00 0.00 C ATOM 549 O GLN C 596 -3.773 -9.301 -0.679 1.00 0.00 O ATOM 550 CB GLN C 596 -0.842 -10.384 0.278 1.00 0.00 C ATOM 551 CG GLN C 596 0.320 -11.331 -0.026 1.00 0.00 C ATOM 552 CD GLN C 596 1.645 -10.615 0.243 1.00 0.00 C ATOM 553 OE1 GLN C 596 2.218 -10.019 -0.646 1.00 0.00 O ATOM 554 NE2 GLN C 596 2.160 -10.651 1.442 1.00 0.00 N ATOM 0 H GLN C 596 -1.347 -10.655 -2.165 1.00 0.00 H new ATOM 0 HA GLN C 596 -2.296 -11.973 0.257 1.00 0.00 H new ATOM 0 HB2 GLN C 596 -0.676 -9.421 -0.206 1.00 0.00 H new ATOM 0 HB3 GLN C 596 -0.901 -10.196 1.350 1.00 0.00 H new ATOM 0 HG2 GLN C 596 0.246 -12.225 0.592 1.00 0.00 H new ATOM 0 HG3 GLN C 596 0.275 -11.657 -1.065 1.00 0.00 H new ATOM 0 HE21 GLN C 596 1.679 -11.152 2.189 1.00 0.00 H new ATOM 0 HE22 GLN C 596 3.044 -10.178 1.632 1.00 0.00 H new ATOM 563 N SER C 597 -3.807 -10.162 1.341 1.00 0.00 N ATOM 564 CA SER C 597 -4.946 -9.290 1.744 1.00 0.00 C ATOM 565 C SER C 597 -4.496 -8.350 2.865 1.00 0.00 C ATOM 566 O SER C 597 -3.430 -8.505 3.428 1.00 0.00 O ATOM 567 CB SER C 597 -6.102 -10.158 2.241 1.00 0.00 C ATOM 568 OG SER C 597 -6.108 -11.386 1.526 1.00 0.00 O ATOM 0 H SER C 597 -3.467 -10.794 2.065 1.00 0.00 H new ATOM 0 HA SER C 597 -5.275 -8.703 0.887 1.00 0.00 H new ATOM 0 HB2 SER C 597 -5.997 -10.347 3.309 1.00 0.00 H new ATOM 0 HB3 SER C 597 -7.049 -9.637 2.101 1.00 0.00 H new ATOM 0 HG SER C 597 -6.847 -11.946 1.843 1.00 0.00 H new ATOM 574 N VAL C 598 -5.299 -7.375 3.192 1.00 0.00 N ATOM 575 CA VAL C 598 -4.916 -6.426 4.276 1.00 0.00 C ATOM 576 C VAL C 598 -5.583 -6.853 5.586 1.00 0.00 C ATOM 577 O VAL C 598 -6.790 -6.952 5.676 1.00 0.00 O ATOM 578 CB VAL C 598 -5.378 -5.016 3.905 1.00 0.00 C ATOM 579 CG1 VAL C 598 -4.979 -4.040 5.013 1.00 0.00 C ATOM 580 CG2 VAL C 598 -4.718 -4.594 2.591 1.00 0.00 C ATOM 0 H VAL C 598 -6.203 -7.194 2.756 1.00 0.00 H new ATOM 0 HA VAL C 598 -3.833 -6.433 4.400 1.00 0.00 H new ATOM 0 HB VAL C 598 -6.462 -5.007 3.787 1.00 0.00 H new ATOM 0 HG11 VAL C 598 -5.308 -3.035 4.749 1.00 0.00 H new ATOM 0 HG12 VAL C 598 -5.448 -4.341 5.950 1.00 0.00 H new ATOM 0 HG13 VAL C 598 -3.895 -4.047 5.132 1.00 0.00 H new ATOM 0 HG21 VAL C 598 -5.046 -3.589 2.325 1.00 0.00 H new ATOM 0 HG22 VAL C 598 -3.634 -4.602 2.709 1.00 0.00 H new ATOM 0 HG23 VAL C 598 -5.002 -5.289 1.801 1.00 0.00 H new ATOM 590 N GLN C 599 -4.804 -7.108 6.602 1.00 0.00 N ATOM 591 CA GLN C 599 -5.394 -7.527 7.904 1.00 0.00 C ATOM 592 C GLN C 599 -5.789 -6.287 8.709 1.00 0.00 C ATOM 593 O GLN C 599 -6.899 -6.174 9.188 1.00 0.00 O ATOM 594 CB GLN C 599 -4.364 -8.339 8.692 1.00 0.00 C ATOM 595 CG GLN C 599 -5.009 -8.881 9.969 1.00 0.00 C ATOM 596 CD GLN C 599 -4.087 -8.615 11.160 1.00 0.00 C ATOM 597 OE1 GLN C 599 -2.981 -9.116 11.212 1.00 0.00 O ATOM 598 NE2 GLN C 599 -4.497 -7.840 12.126 1.00 0.00 N ATOM 0 H GLN C 599 -3.786 -7.044 6.586 1.00 0.00 H new ATOM 0 HA GLN C 599 -6.278 -8.138 7.722 1.00 0.00 H new ATOM 0 HB2 GLN C 599 -3.991 -9.162 8.083 1.00 0.00 H new ATOM 0 HB3 GLN C 599 -3.507 -7.714 8.942 1.00 0.00 H new ATOM 0 HG2 GLN C 599 -5.976 -8.405 10.131 1.00 0.00 H new ATOM 0 HG3 GLN C 599 -5.193 -9.951 9.870 1.00 0.00 H new ATOM 0 HE21 GLN C 599 -5.425 -7.419 12.083 1.00 0.00 H new ATOM 0 HE22 GLN C 599 -3.889 -7.655 12.924 1.00 0.00 H new ATOM 607 N SER C 600 -4.888 -5.355 8.861 1.00 0.00 N ATOM 608 CA SER C 600 -5.213 -4.124 9.634 1.00 0.00 C ATOM 609 C SER C 600 -4.143 -3.061 9.373 1.00 0.00 C ATOM 610 O SER C 600 -3.021 -3.369 9.024 1.00 0.00 O ATOM 611 CB SER C 600 -5.249 -4.454 11.126 1.00 0.00 C ATOM 612 OG SER C 600 -6.565 -4.851 11.487 1.00 0.00 O ATOM 0 H SER C 600 -3.941 -5.393 8.483 1.00 0.00 H new ATOM 0 HA SER C 600 -6.186 -3.745 9.322 1.00 0.00 H new ATOM 0 HB2 SER C 600 -4.541 -5.252 11.351 1.00 0.00 H new ATOM 0 HB3 SER C 600 -4.946 -3.585 11.710 1.00 0.00 H new ATOM 0 HG SER C 600 -6.960 -5.376 10.759 1.00 0.00 H new ATOM 618 N SER C 601 -4.481 -1.811 9.540 1.00 0.00 N ATOM 619 CA SER C 601 -3.483 -0.731 9.301 1.00 0.00 C ATOM 620 C SER C 601 -3.763 0.439 10.247 1.00 0.00 C ATOM 621 O SER C 601 -4.871 0.623 10.710 1.00 0.00 O ATOM 622 CB SER C 601 -3.587 -0.253 7.853 1.00 0.00 C ATOM 623 OG SER C 601 -4.730 0.582 7.715 1.00 0.00 O ATOM 0 H SER C 601 -5.405 -1.492 9.831 1.00 0.00 H new ATOM 0 HA SER C 601 -2.480 -1.115 9.485 1.00 0.00 H new ATOM 0 HB2 SER C 601 -2.687 0.294 7.573 1.00 0.00 H new ATOM 0 HB3 SER C 601 -3.663 -1.107 7.180 1.00 0.00 H new ATOM 0 HG SER C 601 -4.474 1.415 7.267 1.00 0.00 H new ATOM 629 N TRP C 602 -2.767 1.230 10.537 1.00 0.00 N ATOM 630 CA TRP C 602 -2.977 2.386 11.453 1.00 0.00 C ATOM 631 C TRP C 602 -2.252 3.614 10.898 1.00 0.00 C ATOM 632 O TRP C 602 -1.288 3.500 10.168 1.00 0.00 O ATOM 633 CB TRP C 602 -2.421 2.048 12.838 1.00 0.00 C ATOM 634 CG TRP C 602 -0.929 1.988 12.775 1.00 0.00 C ATOM 635 CD1 TRP C 602 -0.102 3.048 12.930 1.00 0.00 C ATOM 636 CD2 TRP C 602 -0.072 0.833 12.544 1.00 0.00 C ATOM 637 NE1 TRP C 602 1.204 2.617 12.809 1.00 0.00 N ATOM 638 CE2 TRP C 602 1.276 1.259 12.570 1.00 0.00 C ATOM 639 CE3 TRP C 602 -0.333 -0.531 12.316 1.00 0.00 C ATOM 640 CZ2 TRP C 602 2.330 0.366 12.378 1.00 0.00 C ATOM 641 CZ3 TRP C 602 0.727 -1.434 12.121 1.00 0.00 C ATOM 642 CH2 TRP C 602 2.055 -0.986 12.152 1.00 0.00 C ATOM 0 H TRP C 602 -1.817 1.126 10.179 1.00 0.00 H new ATOM 0 HA TRP C 602 -4.043 2.598 11.532 1.00 0.00 H new ATOM 0 HB2 TRP C 602 -2.735 2.801 13.561 1.00 0.00 H new ATOM 0 HB3 TRP C 602 -2.820 1.093 13.179 1.00 0.00 H new ATOM 0 HD1 TRP C 602 -0.413 4.065 13.118 1.00 0.00 H new ATOM 0 HE1 TRP C 602 2.017 3.228 12.887 1.00 0.00 H new ATOM 0 HE3 TRP C 602 -1.353 -0.886 12.291 1.00 0.00 H new ATOM 0 HZ2 TRP C 602 3.351 0.716 12.404 1.00 0.00 H new ATOM 0 HZ3 TRP C 602 0.517 -2.479 11.946 1.00 0.00 H new ATOM 0 HH2 TRP C 602 2.865 -1.685 12.001 1.00 0.00 H new ATOM 653 N ASN C 603 -2.711 4.788 11.239 1.00 0.00 N ATOM 654 CA ASN C 603 -2.050 6.024 10.734 1.00 0.00 C ATOM 655 C ASN C 603 -2.447 6.253 9.273 1.00 0.00 C ATOM 656 O ASN C 603 -1.695 6.807 8.496 1.00 0.00 O ATOM 657 CB ASN C 603 -0.531 5.868 10.830 1.00 0.00 C ATOM 658 CG ASN C 603 0.075 7.132 11.440 1.00 0.00 C ATOM 659 OD1 ASN C 603 1.037 7.063 12.181 1.00 0.00 O ATOM 660 ND2 ASN C 603 -0.449 8.294 11.160 1.00 0.00 N ATOM 0 H ASN C 603 -3.516 4.944 11.846 1.00 0.00 H new ATOM 0 HA ASN C 603 -2.366 6.876 11.336 1.00 0.00 H new ATOM 0 HB2 ASN C 603 -0.282 5.001 11.442 1.00 0.00 H new ATOM 0 HB3 ASN C 603 -0.110 5.691 9.840 1.00 0.00 H new ATOM 0 HD21 ASN C 603 -0.052 9.143 11.562 1.00 0.00 H new ATOM 0 HD22 ASN C 603 -1.256 8.353 10.539 1.00 0.00 H new ATOM 667 N ALA C 604 -3.622 5.832 8.895 1.00 0.00 N ATOM 668 CA ALA C 604 -4.067 6.027 7.486 1.00 0.00 C ATOM 669 C ALA C 604 -5.264 5.118 7.199 1.00 0.00 C ATOM 670 O ALA C 604 -5.364 4.024 7.718 1.00 0.00 O ATOM 671 CB ALA C 604 -2.920 5.675 6.536 1.00 0.00 C ATOM 0 H ALA C 604 -4.294 5.361 9.501 1.00 0.00 H new ATOM 0 HA ALA C 604 -4.357 7.067 7.337 1.00 0.00 H new ATOM 0 HB1 ALA C 604 -3.245 5.817 5.505 1.00 0.00 H new ATOM 0 HB2 ALA C 604 -2.067 6.322 6.740 1.00 0.00 H new ATOM 0 HB3 ALA C 604 -2.631 4.635 6.685 1.00 0.00 H new ATOM 677 N ALA C 605 -6.174 5.562 6.375 1.00 0.00 N ATOM 678 CA ALA C 605 -7.362 4.723 6.055 1.00 0.00 C ATOM 679 C ALA C 605 -7.023 3.777 4.901 1.00 0.00 C ATOM 680 O ALA C 605 -6.027 3.940 4.225 1.00 0.00 O ATOM 681 CB ALA C 605 -8.530 5.624 5.649 1.00 0.00 C ATOM 0 H ALA C 605 -6.145 6.469 5.910 1.00 0.00 H new ATOM 0 HA ALA C 605 -7.641 4.140 6.933 1.00 0.00 H new ATOM 0 HB1 ALA C 605 -9.399 5.009 5.415 1.00 0.00 H new ATOM 0 HB2 ALA C 605 -8.773 6.298 6.471 1.00 0.00 H new ATOM 0 HB3 ALA C 605 -8.251 6.208 4.772 1.00 0.00 H new ATOM 687 N LEU C 606 -7.843 2.789 4.669 1.00 0.00 N ATOM 688 CA LEU C 606 -7.566 1.835 3.559 1.00 0.00 C ATOM 689 C LEU C 606 -8.732 1.855 2.566 1.00 0.00 C ATOM 690 O LEU C 606 -9.852 2.172 2.916 1.00 0.00 O ATOM 691 CB LEU C 606 -7.406 0.423 4.127 1.00 0.00 C ATOM 692 CG LEU C 606 -6.070 0.319 4.871 1.00 0.00 C ATOM 693 CD1 LEU C 606 -5.810 -1.140 5.261 1.00 0.00 C ATOM 694 CD2 LEU C 606 -4.937 0.810 3.964 1.00 0.00 C ATOM 0 H LEU C 606 -8.693 2.601 5.201 1.00 0.00 H new ATOM 0 HA LEU C 606 -6.648 2.128 3.049 1.00 0.00 H new ATOM 0 HB2 LEU C 606 -8.230 0.196 4.804 1.00 0.00 H new ATOM 0 HB3 LEU C 606 -7.444 -0.311 3.322 1.00 0.00 H new ATOM 0 HG LEU C 606 -6.111 0.935 5.770 1.00 0.00 H new ATOM 0 HD11 LEU C 606 -4.860 -1.211 5.790 1.00 0.00 H new ATOM 0 HD12 LEU C 606 -6.613 -1.492 5.909 1.00 0.00 H new ATOM 0 HD13 LEU C 606 -5.772 -1.756 4.362 1.00 0.00 H new ATOM 0 HD21 LEU C 606 -3.988 0.735 4.495 1.00 0.00 H new ATOM 0 HD22 LEU C 606 -4.899 0.196 3.064 1.00 0.00 H new ATOM 0 HD23 LEU C 606 -5.117 1.849 3.687 1.00 0.00 H new ATOM 706 N THR C 607 -8.477 1.518 1.332 1.00 0.00 N ATOM 707 CA THR C 607 -9.570 1.518 0.319 1.00 0.00 C ATOM 708 C THR C 607 -9.507 0.226 -0.499 1.00 0.00 C ATOM 709 O THR C 607 -9.094 0.223 -1.641 1.00 0.00 O ATOM 710 CB THR C 607 -9.403 2.721 -0.613 1.00 0.00 C ATOM 711 OG1 THR C 607 -9.408 3.916 0.153 1.00 0.00 O ATOM 712 CG2 THR C 607 -10.554 2.752 -1.621 1.00 0.00 C ATOM 0 H THR C 607 -7.560 1.243 0.981 1.00 0.00 H new ATOM 0 HA THR C 607 -10.534 1.582 0.824 1.00 0.00 H new ATOM 0 HB THR C 607 -8.457 2.638 -1.149 1.00 0.00 H new ATOM 0 HG1 THR C 607 -9.204 4.678 -0.428 1.00 0.00 H new ATOM 0 HG21 THR C 607 -10.434 3.609 -2.284 1.00 0.00 H new ATOM 0 HG22 THR C 607 -10.547 1.834 -2.209 1.00 0.00 H new ATOM 0 HG23 THR C 607 -11.502 2.835 -1.089 1.00 0.00 H new ATOM 720 N GLY C 608 -9.914 -0.872 0.077 1.00 0.00 N ATOM 721 CA GLY C 608 -9.877 -2.162 -0.670 1.00 0.00 C ATOM 722 C GLY C 608 -9.330 -3.263 0.240 1.00 0.00 C ATOM 723 O GLY C 608 -9.324 -3.138 1.449 1.00 0.00 O ATOM 0 H GLY C 608 -10.270 -0.932 1.031 1.00 0.00 H new ATOM 0 HA2 GLY C 608 -10.877 -2.424 -1.014 1.00 0.00 H new ATOM 0 HA3 GLY C 608 -9.250 -2.063 -1.556 1.00 0.00 H new ATOM 727 N SER C 609 -8.870 -4.343 -0.331 1.00 0.00 N ATOM 728 CA SER C 609 -8.324 -5.451 0.502 1.00 0.00 C ATOM 729 C SER C 609 -7.805 -6.565 -0.410 1.00 0.00 C ATOM 730 O SER C 609 -7.907 -7.735 -0.098 1.00 0.00 O ATOM 731 CB SER C 609 -9.428 -6.003 1.402 1.00 0.00 C ATOM 732 OG SER C 609 -10.575 -6.296 0.614 1.00 0.00 O ATOM 0 H SER C 609 -8.849 -4.505 -1.338 1.00 0.00 H new ATOM 0 HA SER C 609 -7.507 -5.075 1.118 1.00 0.00 H new ATOM 0 HB2 SER C 609 -9.082 -6.903 1.910 1.00 0.00 H new ATOM 0 HB3 SER C 609 -9.680 -5.277 2.175 1.00 0.00 H new ATOM 0 HG SER C 609 -11.284 -6.652 1.189 1.00 0.00 H new ATOM 738 N SER C 610 -7.247 -6.212 -1.536 1.00 0.00 N ATOM 739 CA SER C 610 -6.722 -7.251 -2.466 1.00 0.00 C ATOM 740 C SER C 610 -6.444 -6.621 -3.831 1.00 0.00 C ATOM 741 O SER C 610 -7.146 -5.730 -4.268 1.00 0.00 O ATOM 742 CB SER C 610 -7.757 -8.367 -2.620 1.00 0.00 C ATOM 743 OG SER C 610 -7.341 -9.500 -1.869 1.00 0.00 O ATOM 0 H SER C 610 -7.132 -5.249 -1.852 1.00 0.00 H new ATOM 0 HA SER C 610 -5.798 -7.665 -2.063 1.00 0.00 H new ATOM 0 HB2 SER C 610 -8.732 -8.025 -2.274 1.00 0.00 H new ATOM 0 HB3 SER C 610 -7.868 -8.634 -3.671 1.00 0.00 H new ATOM 0 HG SER C 610 -7.385 -9.292 -0.912 1.00 0.00 H new ATOM 749 N GLY C 611 -5.427 -7.075 -4.510 1.00 0.00 N ATOM 750 CA GLY C 611 -5.105 -6.501 -5.847 1.00 0.00 C ATOM 751 C GLY C 611 -4.611 -5.062 -5.681 1.00 0.00 C ATOM 752 O GLY C 611 -3.867 -4.753 -4.771 1.00 0.00 O ATOM 0 H GLY C 611 -4.804 -7.820 -4.196 1.00 0.00 H new ATOM 0 HA2 GLY C 611 -4.342 -7.104 -6.339 1.00 0.00 H new ATOM 0 HA3 GLY C 611 -5.988 -6.522 -6.485 1.00 0.00 H new ATOM 756 N THR C 612 -5.020 -4.180 -6.552 1.00 0.00 N ATOM 757 CA THR C 612 -4.573 -2.763 -6.442 1.00 0.00 C ATOM 758 C THR C 612 -5.409 -2.048 -5.378 1.00 0.00 C ATOM 759 O THR C 612 -6.568 -1.748 -5.584 1.00 0.00 O ATOM 760 CB THR C 612 -4.756 -2.063 -7.790 1.00 0.00 C ATOM 761 OG1 THR C 612 -4.372 -2.946 -8.836 1.00 0.00 O ATOM 762 CG2 THR C 612 -3.888 -0.805 -7.837 1.00 0.00 C ATOM 0 H THR C 612 -5.644 -4.379 -7.334 1.00 0.00 H new ATOM 0 HA THR C 612 -3.521 -2.734 -6.159 1.00 0.00 H new ATOM 0 HB THR C 612 -5.802 -1.783 -7.915 1.00 0.00 H new ATOM 0 HG1 THR C 612 -4.490 -2.500 -9.701 1.00 0.00 H new ATOM 0 HG21 THR C 612 -4.020 -0.308 -8.798 1.00 0.00 H new ATOM 0 HG22 THR C 612 -4.184 -0.129 -7.035 1.00 0.00 H new ATOM 0 HG23 THR C 612 -2.841 -1.081 -7.712 1.00 0.00 H new ATOM 770 N VAL C 613 -4.830 -1.771 -4.242 1.00 0.00 N ATOM 771 CA VAL C 613 -5.585 -1.080 -3.168 1.00 0.00 C ATOM 772 C VAL C 613 -5.154 0.392 -3.126 1.00 0.00 C ATOM 773 O VAL C 613 -4.080 0.747 -3.568 1.00 0.00 O ATOM 774 CB VAL C 613 -5.280 -1.780 -1.835 1.00 0.00 C ATOM 775 CG1 VAL C 613 -5.348 -0.784 -0.680 1.00 0.00 C ATOM 776 CG2 VAL C 613 -6.306 -2.891 -1.603 1.00 0.00 C ATOM 0 H VAL C 613 -3.862 -1.996 -4.014 1.00 0.00 H new ATOM 0 HA VAL C 613 -6.658 -1.121 -3.354 1.00 0.00 H new ATOM 0 HB VAL C 613 -4.275 -2.200 -1.880 1.00 0.00 H new ATOM 0 HG11 VAL C 613 -5.129 -1.297 0.256 1.00 0.00 H new ATOM 0 HG12 VAL C 613 -4.616 0.008 -0.839 1.00 0.00 H new ATOM 0 HG13 VAL C 613 -6.347 -0.351 -0.632 1.00 0.00 H new ATOM 0 HG21 VAL C 613 -6.094 -3.391 -0.658 1.00 0.00 H new ATOM 0 HG22 VAL C 613 -7.307 -2.461 -1.569 1.00 0.00 H new ATOM 0 HG23 VAL C 613 -6.249 -3.614 -2.417 1.00 0.00 H new ATOM 786 N THR C 614 -5.984 1.251 -2.597 1.00 0.00 N ATOM 787 CA THR C 614 -5.615 2.693 -2.530 1.00 0.00 C ATOM 788 C THR C 614 -5.632 3.161 -1.074 1.00 0.00 C ATOM 789 O THR C 614 -6.505 2.804 -0.309 1.00 0.00 O ATOM 790 CB THR C 614 -6.614 3.518 -3.345 1.00 0.00 C ATOM 791 OG1 THR C 614 -7.043 2.764 -4.470 1.00 0.00 O ATOM 792 CG2 THR C 614 -5.945 4.811 -3.820 1.00 0.00 C ATOM 0 H THR C 614 -6.898 1.017 -2.210 1.00 0.00 H new ATOM 0 HA THR C 614 -4.615 2.828 -2.941 1.00 0.00 H new ATOM 0 HB THR C 614 -7.474 3.764 -2.723 1.00 0.00 H new ATOM 0 HG1 THR C 614 -7.684 3.291 -4.992 1.00 0.00 H new ATOM 0 HG21 THR C 614 -6.657 5.397 -4.400 1.00 0.00 H new ATOM 0 HG22 THR C 614 -5.617 5.389 -2.956 1.00 0.00 H new ATOM 0 HG23 THR C 614 -5.084 4.568 -4.442 1.00 0.00 H new ATOM 800 N ALA C 615 -4.674 3.958 -0.685 1.00 0.00 N ATOM 801 CA ALA C 615 -4.642 4.446 0.726 1.00 0.00 C ATOM 802 C ALA C 615 -5.441 5.747 0.834 1.00 0.00 C ATOM 803 O ALA C 615 -5.667 6.431 -0.144 1.00 0.00 O ATOM 804 CB ALA C 615 -3.195 4.701 1.157 1.00 0.00 C ATOM 0 H ALA C 615 -3.915 4.292 -1.279 1.00 0.00 H new ATOM 0 HA ALA C 615 -5.082 3.690 1.376 1.00 0.00 H new ATOM 0 HB1 ALA C 615 -3.180 5.057 2.187 1.00 0.00 H new ATOM 0 HB2 ALA C 615 -2.625 3.775 1.084 1.00 0.00 H new ATOM 0 HB3 ALA C 615 -2.749 5.453 0.507 1.00 0.00 H new ATOM 810 N ARG C 616 -5.870 6.093 2.017 1.00 0.00 N ATOM 811 CA ARG C 616 -6.653 7.349 2.188 1.00 0.00 C ATOM 812 C ARG C 616 -6.090 8.144 3.371 1.00 0.00 C ATOM 813 O ARG C 616 -5.513 7.578 4.278 1.00 0.00 O ATOM 814 CB ARG C 616 -8.119 7.003 2.459 1.00 0.00 C ATOM 815 CG ARG C 616 -8.673 6.178 1.297 1.00 0.00 C ATOM 816 CD ARG C 616 -10.180 5.989 1.477 1.00 0.00 C ATOM 817 NE ARG C 616 -10.884 6.376 0.223 1.00 0.00 N ATOM 818 CZ ARG C 616 -12.087 6.877 0.278 1.00 0.00 C ATOM 819 NH1 ARG C 616 -13.096 6.208 -0.212 1.00 0.00 N ATOM 820 NH2 ARG C 616 -12.283 8.046 0.823 1.00 0.00 N ATOM 0 H ARG C 616 -5.712 5.560 2.872 1.00 0.00 H new ATOM 0 HA ARG C 616 -6.582 7.948 1.280 1.00 0.00 H new ATOM 0 HB2 ARG C 616 -8.205 6.443 3.390 1.00 0.00 H new ATOM 0 HB3 ARG C 616 -8.702 7.916 2.581 1.00 0.00 H new ATOM 0 HG2 ARG C 616 -8.469 6.680 0.351 1.00 0.00 H new ATOM 0 HG3 ARG C 616 -8.177 5.208 1.257 1.00 0.00 H new ATOM 0 HD2 ARG C 616 -10.400 4.950 1.724 1.00 0.00 H new ATOM 0 HD3 ARG C 616 -10.536 6.597 2.309 1.00 0.00 H new ATOM 0 HE ARG C 616 -10.425 6.249 -0.679 1.00 0.00 H new ATOM 0 HH11 ARG C 616 -12.943 5.294 -0.638 1.00 0.00 H new ATOM 0 HH12 ARG C 616 -14.037 6.600 -0.169 1.00 0.00 H new ATOM 0 HH21 ARG C 616 -11.495 8.569 1.206 1.00 0.00 H new ATOM 0 HH22 ARG C 616 -13.224 8.437 0.866 1.00 0.00 H new ATOM 834 N PRO C 617 -6.275 9.439 3.320 1.00 0.00 N ATOM 835 CA PRO C 617 -5.796 10.350 4.374 1.00 0.00 C ATOM 836 C PRO C 617 -6.727 10.299 5.590 1.00 0.00 C ATOM 837 O PRO C 617 -7.926 10.457 5.472 1.00 0.00 O ATOM 838 CB PRO C 617 -5.845 11.728 3.706 1.00 0.00 C ATOM 839 CG PRO C 617 -6.859 11.613 2.544 1.00 0.00 C ATOM 840 CD PRO C 617 -6.979 10.114 2.210 1.00 0.00 C ATOM 0 HA PRO C 617 -4.802 10.095 4.743 1.00 0.00 H new ATOM 0 HB2 PRO C 617 -6.154 12.494 4.417 1.00 0.00 H new ATOM 0 HB3 PRO C 617 -4.861 12.016 3.336 1.00 0.00 H new ATOM 0 HG2 PRO C 617 -7.826 12.024 2.832 1.00 0.00 H new ATOM 0 HG3 PRO C 617 -6.519 12.177 1.676 1.00 0.00 H new ATOM 0 HD2 PRO C 617 -8.021 9.801 2.151 1.00 0.00 H new ATOM 0 HD3 PRO C 617 -6.521 9.882 1.248 1.00 0.00 H new ATOM 848 N ASN C 618 -6.184 10.080 6.756 1.00 0.00 N ATOM 849 CA ASN C 618 -7.037 10.019 7.975 1.00 0.00 C ATOM 850 C ASN C 618 -6.639 11.144 8.933 1.00 0.00 C ATOM 851 O ASN C 618 -7.009 11.148 10.089 1.00 0.00 O ATOM 852 CB ASN C 618 -6.841 8.668 8.667 1.00 0.00 C ATOM 853 CG ASN C 618 -5.434 8.598 9.264 1.00 0.00 C ATOM 854 OD1 ASN C 618 -4.467 8.933 8.608 1.00 0.00 O ATOM 855 ND2 ASN C 618 -5.277 8.173 10.486 1.00 0.00 N ATOM 0 H ASN C 618 -5.186 9.941 6.917 1.00 0.00 H new ATOM 0 HA ASN C 618 -8.083 10.135 7.692 1.00 0.00 H new ATOM 0 HB2 ASN C 618 -7.587 8.538 9.451 1.00 0.00 H new ATOM 0 HB3 ASN C 618 -6.985 7.857 7.953 1.00 0.00 H new ATOM 0 HD21 ASN C 618 -4.343 8.121 10.892 1.00 0.00 H new ATOM 0 HD22 ASN C 618 -6.088 7.892 11.036 1.00 0.00 H new ATOM 862 N GLY C 619 -5.888 12.100 8.458 1.00 0.00 N ATOM 863 CA GLY C 619 -5.467 13.225 9.342 1.00 0.00 C ATOM 864 C GLY C 619 -4.662 12.675 10.521 1.00 0.00 C ATOM 865 O GLY C 619 -5.125 12.654 11.644 1.00 0.00 O ATOM 0 H GLY C 619 -5.548 12.151 7.498 1.00 0.00 H new ATOM 0 HA2 GLY C 619 -4.865 13.938 8.779 1.00 0.00 H new ATOM 0 HA3 GLY C 619 -6.343 13.763 9.705 1.00 0.00 H new ATOM 869 N SER C 620 -3.461 12.231 10.275 1.00 0.00 N ATOM 870 CA SER C 620 -2.627 11.683 11.383 1.00 0.00 C ATOM 871 C SER C 620 -1.147 11.817 11.021 1.00 0.00 C ATOM 872 O SER C 620 -0.326 12.168 11.845 1.00 0.00 O ATOM 873 CB SER C 620 -2.969 10.208 11.596 1.00 0.00 C ATOM 874 OG SER C 620 -4.320 10.096 12.024 1.00 0.00 O ATOM 0 H SER C 620 -3.020 12.224 9.355 1.00 0.00 H new ATOM 0 HA SER C 620 -2.828 12.238 12.299 1.00 0.00 H new ATOM 0 HB2 SER C 620 -2.821 9.651 10.671 1.00 0.00 H new ATOM 0 HB3 SER C 620 -2.302 9.772 12.340 1.00 0.00 H new ATOM 0 HG SER C 620 -4.720 10.989 12.083 1.00 0.00 H new ATOM 880 N GLY C 621 -0.799 11.540 9.794 1.00 0.00 N ATOM 881 CA GLY C 621 0.629 11.651 9.381 1.00 0.00 C ATOM 882 C GLY C 621 0.826 10.957 8.032 1.00 0.00 C ATOM 883 O GLY C 621 -0.123 10.617 7.353 1.00 0.00 O ATOM 0 H GLY C 621 -1.441 11.242 9.060 1.00 0.00 H new ATOM 0 HA2 GLY C 621 0.917 12.700 9.308 1.00 0.00 H new ATOM 0 HA3 GLY C 621 1.273 11.196 10.134 1.00 0.00 H new ATOM 887 N ASN C 622 2.052 10.744 7.638 1.00 0.00 N ATOM 888 CA ASN C 622 2.308 10.071 6.333 1.00 0.00 C ATOM 889 C ASN C 622 2.810 8.649 6.582 1.00 0.00 C ATOM 890 O ASN C 622 2.727 7.791 5.726 1.00 0.00 O ATOM 891 CB ASN C 622 3.366 10.856 5.554 1.00 0.00 C ATOM 892 CG ASN C 622 2.928 12.317 5.428 1.00 0.00 C ATOM 893 OD1 ASN C 622 3.480 13.186 6.073 1.00 0.00 O ATOM 894 ND2 ASN C 622 1.952 12.625 4.619 1.00 0.00 N ATOM 0 H ASN C 622 2.886 11.007 8.163 1.00 0.00 H new ATOM 0 HA ASN C 622 1.384 10.034 5.756 1.00 0.00 H new ATOM 0 HB2 ASN C 622 4.327 10.796 6.064 1.00 0.00 H new ATOM 0 HB3 ASN C 622 3.503 10.420 4.565 1.00 0.00 H new ATOM 0 HD21 ASN C 622 1.652 13.596 4.528 1.00 0.00 H new ATOM 0 HD22 ASN C 622 1.489 11.895 4.078 1.00 0.00 H new ATOM 901 N SER C 623 3.333 8.390 7.750 1.00 0.00 N ATOM 902 CA SER C 623 3.840 7.021 8.053 1.00 0.00 C ATOM 903 C SER C 623 2.670 6.123 8.459 1.00 0.00 C ATOM 904 O SER C 623 1.961 6.402 9.405 1.00 0.00 O ATOM 905 CB SER C 623 4.849 7.094 9.198 1.00 0.00 C ATOM 906 OG SER C 623 4.181 7.492 10.388 1.00 0.00 O ATOM 0 H SER C 623 3.431 9.067 8.507 1.00 0.00 H new ATOM 0 HA SER C 623 4.325 6.608 7.168 1.00 0.00 H new ATOM 0 HB2 SER C 623 5.325 6.124 9.341 1.00 0.00 H new ATOM 0 HB3 SER C 623 5.640 7.804 8.956 1.00 0.00 H new ATOM 0 HG SER C 623 3.238 7.229 10.338 1.00 0.00 H new ATOM 912 N PHE C 624 2.463 5.046 7.752 1.00 0.00 N ATOM 913 CA PHE C 624 1.339 4.132 8.100 1.00 0.00 C ATOM 914 C PHE C 624 1.809 2.680 7.994 1.00 0.00 C ATOM 915 O PHE C 624 2.578 2.327 7.120 1.00 0.00 O ATOM 916 CB PHE C 624 0.174 4.365 7.135 1.00 0.00 C ATOM 917 CG PHE C 624 0.643 4.147 5.716 1.00 0.00 C ATOM 918 CD1 PHE C 624 1.602 5.000 5.156 1.00 0.00 C ATOM 919 CD2 PHE C 624 0.118 3.092 4.959 1.00 0.00 C ATOM 920 CE1 PHE C 624 2.035 4.799 3.840 1.00 0.00 C ATOM 921 CE2 PHE C 624 0.552 2.890 3.644 1.00 0.00 C ATOM 922 CZ PHE C 624 1.511 3.743 3.085 1.00 0.00 C ATOM 0 H PHE C 624 3.023 4.760 6.949 1.00 0.00 H new ATOM 0 HA PHE C 624 1.011 4.332 9.120 1.00 0.00 H new ATOM 0 HB2 PHE C 624 -0.646 3.685 7.367 1.00 0.00 H new ATOM 0 HB3 PHE C 624 -0.210 5.378 7.250 1.00 0.00 H new ATOM 0 HD1 PHE C 624 2.008 5.813 5.740 1.00 0.00 H new ATOM 0 HD2 PHE C 624 -0.622 2.434 5.390 1.00 0.00 H new ATOM 0 HE1 PHE C 624 2.773 5.458 3.407 1.00 0.00 H new ATOM 0 HE2 PHE C 624 0.147 2.076 3.061 1.00 0.00 H new ATOM 0 HZ PHE C 624 1.847 3.586 2.071 1.00 0.00 H new ATOM 932 N GLY C 625 1.352 1.834 8.876 1.00 0.00 N ATOM 933 CA GLY C 625 1.772 0.405 8.827 1.00 0.00 C ATOM 934 C GLY C 625 0.618 -0.444 8.289 1.00 0.00 C ATOM 935 O GLY C 625 -0.530 -0.226 8.619 1.00 0.00 O ATOM 0 H GLY C 625 0.706 2.071 9.629 1.00 0.00 H new ATOM 0 HA2 GLY C 625 2.649 0.294 8.189 1.00 0.00 H new ATOM 0 HA3 GLY C 625 2.057 0.063 9.822 1.00 0.00 H new ATOM 939 N VAL C 626 0.913 -1.408 7.461 1.00 0.00 N ATOM 940 CA VAL C 626 -0.169 -2.265 6.903 1.00 0.00 C ATOM 941 C VAL C 626 0.246 -3.734 6.984 1.00 0.00 C ATOM 942 O VAL C 626 1.348 -4.100 6.625 1.00 0.00 O ATOM 943 CB VAL C 626 -0.420 -1.886 5.443 1.00 0.00 C ATOM 944 CG1 VAL C 626 -1.350 -2.917 4.800 1.00 0.00 C ATOM 945 CG2 VAL C 626 -1.073 -0.503 5.381 1.00 0.00 C ATOM 0 H VAL C 626 1.856 -1.639 7.147 1.00 0.00 H new ATOM 0 HA VAL C 626 -1.082 -2.115 7.480 1.00 0.00 H new ATOM 0 HB VAL C 626 0.528 -1.866 4.905 1.00 0.00 H new ATOM 0 HG11 VAL C 626 -1.529 -2.647 3.759 1.00 0.00 H new ATOM 0 HG12 VAL C 626 -0.887 -3.903 4.844 1.00 0.00 H new ATOM 0 HG13 VAL C 626 -2.298 -2.937 5.338 1.00 0.00 H new ATOM 0 HG21 VAL C 626 -1.252 -0.232 4.341 1.00 0.00 H new ATOM 0 HG22 VAL C 626 -2.021 -0.524 5.919 1.00 0.00 H new ATOM 0 HG23 VAL C 626 -0.412 0.233 5.839 1.00 0.00 H new ATOM 955 N THR C 627 -0.631 -4.581 7.451 1.00 0.00 N ATOM 956 CA THR C 627 -0.292 -6.028 7.551 1.00 0.00 C ATOM 957 C THR C 627 -0.806 -6.753 6.306 1.00 0.00 C ATOM 958 O THR C 627 -1.839 -6.416 5.763 1.00 0.00 O ATOM 959 CB THR C 627 -0.954 -6.622 8.797 1.00 0.00 C ATOM 960 OG1 THR C 627 -0.374 -6.048 9.960 1.00 0.00 O ATOM 961 CG2 THR C 627 -0.745 -8.137 8.815 1.00 0.00 C ATOM 0 H THR C 627 -1.568 -4.332 7.768 1.00 0.00 H new ATOM 0 HA THR C 627 0.789 -6.147 7.624 1.00 0.00 H new ATOM 0 HB THR C 627 -2.022 -6.405 8.779 1.00 0.00 H new ATOM 0 HG1 THR C 627 -0.798 -6.427 10.758 1.00 0.00 H new ATOM 0 HG21 THR C 627 -1.217 -8.559 9.703 1.00 0.00 H new ATOM 0 HG22 THR C 627 -1.192 -8.577 7.923 1.00 0.00 H new ATOM 0 HG23 THR C 627 0.322 -8.357 8.832 1.00 0.00 H new ATOM 969 N PHE C 628 -0.095 -7.746 5.848 1.00 0.00 N ATOM 970 CA PHE C 628 -0.551 -8.487 4.638 1.00 0.00 C ATOM 971 C PHE C 628 -0.602 -9.985 4.942 1.00 0.00 C ATOM 972 O PHE C 628 0.214 -10.508 5.675 1.00 0.00 O ATOM 973 CB PHE C 628 0.421 -8.233 3.483 1.00 0.00 C ATOM 974 CG PHE C 628 0.501 -6.751 3.203 1.00 0.00 C ATOM 975 CD1 PHE C 628 -0.467 -6.137 2.398 1.00 0.00 C ATOM 976 CD2 PHE C 628 1.544 -5.991 3.746 1.00 0.00 C ATOM 977 CE1 PHE C 628 -0.392 -4.765 2.137 1.00 0.00 C ATOM 978 CE2 PHE C 628 1.618 -4.619 3.485 1.00 0.00 C ATOM 979 CZ PHE C 628 0.652 -4.005 2.680 1.00 0.00 C ATOM 0 H PHE C 628 0.779 -8.076 6.257 1.00 0.00 H new ATOM 0 HA PHE C 628 -1.546 -8.140 4.357 1.00 0.00 H new ATOM 0 HB2 PHE C 628 1.409 -8.619 3.734 1.00 0.00 H new ATOM 0 HB3 PHE C 628 0.088 -8.764 2.591 1.00 0.00 H new ATOM 0 HD1 PHE C 628 -1.271 -6.723 1.979 1.00 0.00 H new ATOM 0 HD2 PHE C 628 2.291 -6.464 4.366 1.00 0.00 H new ATOM 0 HE1 PHE C 628 -1.139 -4.292 1.517 1.00 0.00 H new ATOM 0 HE2 PHE C 628 2.422 -4.033 3.905 1.00 0.00 H new ATOM 0 HZ PHE C 628 0.711 -2.946 2.477 1.00 0.00 H new ATOM 989 N TYR C 629 -1.555 -10.680 4.383 1.00 0.00 N ATOM 990 CA TYR C 629 -1.659 -12.144 4.639 1.00 0.00 C ATOM 991 C TYR C 629 -0.998 -12.908 3.490 1.00 0.00 C ATOM 992 O TYR C 629 -1.185 -12.592 2.332 1.00 0.00 O ATOM 993 CB TYR C 629 -3.134 -12.542 4.733 1.00 0.00 C ATOM 994 CG TYR C 629 -3.602 -12.406 6.162 1.00 0.00 C ATOM 995 CD1 TYR C 629 -3.067 -13.234 7.156 1.00 0.00 C ATOM 996 CD2 TYR C 629 -4.573 -11.453 6.493 1.00 0.00 C ATOM 997 CE1 TYR C 629 -3.503 -13.108 8.481 1.00 0.00 C ATOM 998 CE2 TYR C 629 -5.009 -11.328 7.816 1.00 0.00 C ATOM 999 CZ TYR C 629 -4.473 -12.155 8.811 1.00 0.00 C ATOM 1000 OH TYR C 629 -4.903 -12.031 10.117 1.00 0.00 O ATOM 0 H TYR C 629 -2.266 -10.297 3.760 1.00 0.00 H new ATOM 0 HA TYR C 629 -1.157 -12.387 5.576 1.00 0.00 H new ATOM 0 HB2 TYR C 629 -3.735 -11.909 4.080 1.00 0.00 H new ATOM 0 HB3 TYR C 629 -3.267 -13.569 4.392 1.00 0.00 H new ATOM 0 HD1 TYR C 629 -2.318 -13.970 6.901 1.00 0.00 H new ATOM 0 HD2 TYR C 629 -4.986 -10.814 5.726 1.00 0.00 H new ATOM 0 HE1 TYR C 629 -3.090 -13.746 9.248 1.00 0.00 H new ATOM 0 HE2 TYR C 629 -5.759 -10.594 8.070 1.00 0.00 H new ATOM 0 HH TYR C 629 -5.874 -11.896 10.130 1.00 0.00 H new ATOM 1010 N LYS C 630 -0.225 -13.913 3.800 1.00 0.00 N ATOM 1011 CA LYS C 630 0.446 -14.695 2.724 1.00 0.00 C ATOM 1012 C LYS C 630 0.411 -16.183 3.076 1.00 0.00 C ATOM 1013 O LYS C 630 0.184 -17.026 2.231 1.00 0.00 O ATOM 1014 CB LYS C 630 1.901 -14.236 2.593 1.00 0.00 C ATOM 1015 CG LYS C 630 2.574 -14.274 3.965 1.00 0.00 C ATOM 1016 CD LYS C 630 4.007 -13.753 3.846 1.00 0.00 C ATOM 1017 CE LYS C 630 4.670 -13.756 5.223 1.00 0.00 C ATOM 1018 NZ LYS C 630 6.143 -13.917 5.066 1.00 0.00 N ATOM 0 H LYS C 630 -0.030 -14.226 4.751 1.00 0.00 H new ATOM 0 HA LYS C 630 -0.074 -14.533 1.780 1.00 0.00 H new ATOM 0 HB2 LYS C 630 2.436 -14.881 1.896 1.00 0.00 H new ATOM 0 HB3 LYS C 630 1.939 -13.226 2.185 1.00 0.00 H new ATOM 0 HG2 LYS C 630 2.012 -13.666 4.674 1.00 0.00 H new ATOM 0 HG3 LYS C 630 2.577 -15.293 4.352 1.00 0.00 H new ATOM 0 HD2 LYS C 630 4.575 -14.377 3.156 1.00 0.00 H new ATOM 0 HD3 LYS C 630 4.005 -12.744 3.435 1.00 0.00 H new ATOM 0 HE2 LYS C 630 4.449 -12.826 5.747 1.00 0.00 H new ATOM 0 HE3 LYS C 630 4.268 -14.567 5.830 1.00 0.00 H new ATOM 0 HZ1 LYS C 630 6.553 -14.254 5.960 1.00 0.00 H new ATOM 0 HZ2 LYS C 630 6.338 -14.608 4.313 1.00 0.00 H new ATOM 0 HZ3 LYS C 630 6.567 -13.001 4.814 1.00 0.00 H new ATOM 1032 N ASN C 631 0.636 -16.513 4.318 1.00 0.00 N ATOM 1033 CA ASN C 631 0.617 -17.947 4.724 1.00 0.00 C ATOM 1034 C ASN C 631 1.881 -18.644 4.212 1.00 0.00 C ATOM 1035 O ASN C 631 2.064 -19.830 4.399 1.00 0.00 O ATOM 1036 CB ASN C 631 -0.618 -18.629 4.130 1.00 0.00 C ATOM 1037 CG ASN C 631 -1.827 -17.702 4.265 1.00 0.00 C ATOM 1038 OD1 ASN C 631 -1.987 -17.036 5.269 1.00 0.00 O ATOM 1039 ND2 ASN C 631 -2.693 -17.633 3.291 1.00 0.00 N ATOM 0 H ASN C 631 0.832 -15.852 5.069 1.00 0.00 H new ATOM 0 HA ASN C 631 0.583 -18.014 5.811 1.00 0.00 H new ATOM 0 HB2 ASN C 631 -0.445 -18.868 3.081 1.00 0.00 H new ATOM 0 HB3 ASN C 631 -0.809 -19.571 4.644 1.00 0.00 H new ATOM 0 HD21 ASN C 631 -3.504 -17.020 3.372 1.00 0.00 H new ATOM 0 HD22 ASN C 631 -2.559 -18.192 2.448 1.00 0.00 H new ATOM 1046 N GLY C 632 2.754 -17.918 3.568 1.00 0.00 N ATOM 1047 CA GLY C 632 4.004 -18.544 3.048 1.00 0.00 C ATOM 1048 C GLY C 632 4.458 -17.811 1.783 1.00 0.00 C ATOM 1049 O GLY C 632 4.261 -18.278 0.680 1.00 0.00 O ATOM 0 H GLY C 632 2.656 -16.920 3.380 1.00 0.00 H new ATOM 0 HA2 GLY C 632 4.786 -18.501 3.806 1.00 0.00 H new ATOM 0 HA3 GLY C 632 3.831 -19.597 2.828 1.00 0.00 H new ATOM 1053 N SER C 633 5.065 -16.666 1.935 1.00 0.00 N ATOM 1054 CA SER C 633 5.534 -15.906 0.742 1.00 0.00 C ATOM 1055 C SER C 633 6.920 -15.323 1.021 1.00 0.00 C ATOM 1056 O SER C 633 7.246 -14.979 2.141 1.00 0.00 O ATOM 1057 CB SER C 633 4.554 -14.771 0.442 1.00 0.00 C ATOM 1058 OG SER C 633 3.303 -15.323 0.050 1.00 0.00 O ATOM 0 H SER C 633 5.256 -16.224 2.834 1.00 0.00 H new ATOM 0 HA SER C 633 5.588 -16.575 -0.117 1.00 0.00 H new ATOM 0 HB2 SER C 633 4.427 -14.142 1.323 1.00 0.00 H new ATOM 0 HB3 SER C 633 4.948 -14.134 -0.350 1.00 0.00 H new ATOM 0 HG SER C 633 2.724 -14.611 -0.293 1.00 0.00 H new ATOM 1064 N SER C 634 7.741 -15.209 0.013 1.00 0.00 N ATOM 1065 CA SER C 634 9.105 -14.650 0.223 1.00 0.00 C ATOM 1066 C SER C 634 9.209 -13.282 -0.456 1.00 0.00 C ATOM 1067 O SER C 634 10.188 -12.579 -0.308 1.00 0.00 O ATOM 1068 CB SER C 634 10.144 -15.597 -0.379 1.00 0.00 C ATOM 1069 OG SER C 634 11.295 -15.622 0.454 1.00 0.00 O ATOM 0 H SER C 634 7.525 -15.479 -0.947 1.00 0.00 H new ATOM 0 HA SER C 634 9.289 -14.540 1.292 1.00 0.00 H new ATOM 0 HB2 SER C 634 9.727 -16.600 -0.473 1.00 0.00 H new ATOM 0 HB3 SER C 634 10.414 -15.268 -1.383 1.00 0.00 H new ATOM 0 HG SER C 634 11.962 -16.229 0.072 1.00 0.00 H new ATOM 1075 N ALA C 635 8.209 -12.900 -1.201 1.00 0.00 N ATOM 1076 CA ALA C 635 8.253 -11.578 -1.887 1.00 0.00 C ATOM 1077 C ALA C 635 7.680 -10.504 -0.961 1.00 0.00 C ATOM 1078 O ALA C 635 6.647 -10.687 -0.348 1.00 0.00 O ATOM 1079 CB ALA C 635 7.424 -11.640 -3.170 1.00 0.00 C ATOM 0 H ALA C 635 7.363 -13.446 -1.365 1.00 0.00 H new ATOM 0 HA ALA C 635 9.286 -11.332 -2.134 1.00 0.00 H new ATOM 0 HB1 ALA C 635 7.457 -10.673 -3.671 1.00 0.00 H new ATOM 0 HB2 ALA C 635 7.832 -12.405 -3.830 1.00 0.00 H new ATOM 0 HB3 ALA C 635 6.391 -11.887 -2.924 1.00 0.00 H new ATOM 1085 N THR C 636 8.342 -9.384 -0.853 1.00 0.00 N ATOM 1086 CA THR C 636 7.834 -8.302 0.034 1.00 0.00 C ATOM 1087 C THR C 636 6.909 -7.377 -0.768 1.00 0.00 C ATOM 1088 O THR C 636 7.184 -7.076 -1.912 1.00 0.00 O ATOM 1089 CB THR C 636 9.015 -7.493 0.576 1.00 0.00 C ATOM 1090 OG1 THR C 636 9.773 -8.303 1.464 1.00 0.00 O ATOM 1091 CG2 THR C 636 8.495 -6.264 1.323 1.00 0.00 C ATOM 0 H THR C 636 9.212 -9.173 -1.341 1.00 0.00 H new ATOM 0 HA THR C 636 7.280 -8.741 0.864 1.00 0.00 H new ATOM 0 HB THR C 636 9.646 -7.171 -0.253 1.00 0.00 H new ATOM 0 HG1 THR C 636 9.924 -7.817 2.302 1.00 0.00 H new ATOM 0 HG21 THR C 636 9.337 -5.689 1.708 1.00 0.00 H new ATOM 0 HG22 THR C 636 7.913 -5.643 0.642 1.00 0.00 H new ATOM 0 HG23 THR C 636 7.863 -6.583 2.152 1.00 0.00 H new ATOM 1099 N PRO C 637 5.839 -6.950 -0.142 1.00 0.00 N ATOM 1100 CA PRO C 637 4.858 -6.053 -0.778 1.00 0.00 C ATOM 1101 C PRO C 637 5.373 -4.611 -0.748 1.00 0.00 C ATOM 1102 O PRO C 637 6.363 -4.313 -0.111 1.00 0.00 O ATOM 1103 CB PRO C 637 3.610 -6.210 0.096 1.00 0.00 C ATOM 1104 CG PRO C 637 4.102 -6.721 1.472 1.00 0.00 C ATOM 1105 CD PRO C 637 5.506 -7.317 1.249 1.00 0.00 C ATOM 0 HA PRO C 637 4.666 -6.289 -1.825 1.00 0.00 H new ATOM 0 HB2 PRO C 637 3.086 -5.260 0.199 1.00 0.00 H new ATOM 0 HB3 PRO C 637 2.908 -6.914 -0.352 1.00 0.00 H new ATOM 0 HG2 PRO C 637 4.138 -5.907 2.196 1.00 0.00 H new ATOM 0 HG3 PRO C 637 3.422 -7.473 1.871 1.00 0.00 H new ATOM 0 HD2 PRO C 637 6.229 -6.906 1.953 1.00 0.00 H new ATOM 0 HD3 PRO C 637 5.506 -8.398 1.386 1.00 0.00 H new ATOM 1113 N GLY C 638 4.715 -3.712 -1.430 1.00 0.00 N ATOM 1114 CA GLY C 638 5.189 -2.299 -1.427 1.00 0.00 C ATOM 1115 C GLY C 638 4.083 -1.365 -1.925 1.00 0.00 C ATOM 1116 O GLY C 638 3.182 -1.769 -2.638 1.00 0.00 O ATOM 0 H GLY C 638 3.878 -3.893 -1.984 1.00 0.00 H new ATOM 0 HA2 GLY C 638 5.490 -2.012 -0.420 1.00 0.00 H new ATOM 0 HA3 GLY C 638 6.069 -2.202 -2.063 1.00 0.00 H new ATOM 1120 N ALA C 639 4.154 -0.112 -1.559 1.00 0.00 N ATOM 1121 CA ALA C 639 3.127 0.864 -2.009 1.00 0.00 C ATOM 1122 C ALA C 639 3.461 1.319 -3.425 1.00 0.00 C ATOM 1123 O ALA C 639 4.440 0.900 -4.009 1.00 0.00 O ATOM 1124 CB ALA C 639 3.125 2.072 -1.070 1.00 0.00 C ATOM 0 H ALA C 639 4.886 0.276 -0.964 1.00 0.00 H new ATOM 0 HA ALA C 639 2.142 0.397 -1.995 1.00 0.00 H new ATOM 0 HB1 ALA C 639 2.372 2.788 -1.400 1.00 0.00 H new ATOM 0 HB2 ALA C 639 2.895 1.744 -0.056 1.00 0.00 H new ATOM 0 HB3 ALA C 639 4.107 2.546 -1.084 1.00 0.00 H new ATOM 1130 N THR C 640 2.651 2.165 -3.987 1.00 0.00 N ATOM 1131 CA THR C 640 2.923 2.633 -5.375 1.00 0.00 C ATOM 1132 C THR C 640 2.853 4.157 -5.466 1.00 0.00 C ATOM 1133 O THR C 640 1.995 4.801 -4.892 1.00 0.00 O ATOM 1134 CB THR C 640 1.885 2.064 -6.320 1.00 0.00 C ATOM 1135 OG1 THR C 640 1.419 0.815 -5.826 1.00 0.00 O ATOM 1136 CG2 THR C 640 2.500 1.871 -7.707 1.00 0.00 C ATOM 0 H THR C 640 1.815 2.553 -3.550 1.00 0.00 H new ATOM 0 HA THR C 640 3.923 2.296 -5.647 1.00 0.00 H new ATOM 0 HB THR C 640 1.047 2.758 -6.391 1.00 0.00 H new ATOM 0 HG1 THR C 640 1.187 0.904 -4.878 1.00 0.00 H new ATOM 0 HG21 THR C 640 1.750 1.462 -8.384 1.00 0.00 H new ATOM 0 HG22 THR C 640 2.847 2.832 -8.088 1.00 0.00 H new ATOM 0 HG23 THR C 640 3.342 1.182 -7.639 1.00 0.00 H new ATOM 1144 N CYS C 641 3.745 4.715 -6.229 1.00 0.00 N ATOM 1145 CA CYS C 641 3.791 6.193 -6.437 1.00 0.00 C ATOM 1146 C CYS C 641 4.585 6.504 -7.706 1.00 0.00 C ATOM 1147 O CYS C 641 5.682 7.023 -7.652 1.00 0.00 O ATOM 1148 CB CYS C 641 4.461 6.866 -5.234 1.00 0.00 C ATOM 1149 SG CYS C 641 3.196 7.392 -4.057 1.00 0.00 S ATOM 0 H CYS C 641 4.465 4.198 -6.733 1.00 0.00 H new ATOM 0 HA CYS C 641 2.775 6.574 -6.540 1.00 0.00 H new ATOM 0 HB2 CYS C 641 5.153 6.173 -4.755 1.00 0.00 H new ATOM 0 HB3 CYS C 641 5.046 7.725 -5.563 1.00 0.00 H new ATOM 1154 N ALA C 642 4.041 6.189 -8.850 1.00 0.00 N ATOM 1155 CA ALA C 642 4.765 6.467 -10.122 1.00 0.00 C ATOM 1156 C ALA C 642 3.789 7.027 -11.156 1.00 0.00 C ATOM 1157 O ALA C 642 2.588 6.993 -10.973 1.00 0.00 O ATOM 1158 CB ALA C 642 5.368 5.168 -10.660 1.00 0.00 C ATOM 0 H ALA C 642 3.126 5.751 -8.958 1.00 0.00 H new ATOM 0 HA ALA C 642 5.557 7.192 -9.933 1.00 0.00 H new ATOM 0 HB1 ALA C 642 5.898 5.371 -11.591 1.00 0.00 H new ATOM 0 HB2 ALA C 642 6.064 4.759 -9.928 1.00 0.00 H new ATOM 0 HB3 ALA C 642 4.572 4.447 -10.845 1.00 0.00 H new ATOM 1164 N THR C 643 4.295 7.533 -12.245 1.00 0.00 N ATOM 1165 CA THR C 643 3.394 8.083 -13.293 1.00 0.00 C ATOM 1166 C THR C 643 3.541 7.260 -14.571 1.00 0.00 C ATOM 1167 O THR C 643 4.518 7.366 -15.284 1.00 0.00 O ATOM 1168 CB THR C 643 3.758 9.536 -13.584 1.00 0.00 C ATOM 1169 OG1 THR C 643 5.041 9.589 -14.193 1.00 0.00 O ATOM 1170 CG2 THR C 643 3.776 10.334 -12.280 1.00 0.00 C ATOM 0 H THR C 643 5.292 7.589 -12.454 1.00 0.00 H new ATOM 0 HA THR C 643 2.364 8.035 -12.939 1.00 0.00 H new ATOM 0 HB THR C 643 3.017 9.967 -14.258 1.00 0.00 H new ATOM 0 HG1 THR C 643 5.323 8.684 -14.442 1.00 0.00 H new ATOM 0 HG21 THR C 643 4.036 11.371 -12.492 1.00 0.00 H new ATOM 0 HG22 THR C 643 2.791 10.295 -11.816 1.00 0.00 H new ATOM 0 HG23 THR C 643 4.514 9.906 -11.602 1.00 0.00 H new ATOM 1178 N GLY C 644 2.574 6.440 -14.861 1.00 0.00 N ATOM 1179 CA GLY C 644 2.647 5.603 -16.092 1.00 0.00 C ATOM 1180 C GLY C 644 2.630 6.505 -17.327 1.00 0.00 C ATOM 1181 O GLY C 644 3.688 6.978 -17.706 1.00 0.00 O ATOM 1182 OXT GLY C 644 1.558 6.709 -17.873 1.00 0.00 O ATOM 0 H GLY C 644 1.733 6.311 -14.299 1.00 0.00 H new ATOM 0 HA2 GLY C 644 3.556 5.001 -16.081 1.00 0.00 H new ATOM 0 HA3 GLY C 644 1.806 4.910 -16.123 1.00 0.00 H new TER 1186 GLY C 644