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 599 GLN : amide:sc= -4.55 K(o=-6.4,f=-18!) USER MOD Set 1.2: C 600 SER OG : rot 180:sc= -0.42 USER MOD Set 1.3: C 629 TYR OH : rot 38:sc= -1.39! USER MOD Set 2.1: C 575 ASN : amide:sc= -1.2! C(o=0.035!,f=-8.2!) USER MOD Set 2.2: C 627 THR OG1 : rot 3:sc= 1.23 USER MOD Set 3.1: C 589 THR OG1 : rot 180:sc= 0.0124 USER MOD Set 3.2: C 640 THR OG1 : rot 83:sc= 1.24 USER MOD Single : C 557 THR OG1 : rot 15:sc= 0.804 USER MOD Single : C 559 SER OG : rot 180:sc= 0 USER MOD Single : C 561 SER OG : rot 171:sc= 1.15 USER MOD Single : C 563 SER OG : rot 180:sc= 0 USER MOD Single : C 577 THR OG1 : rot 180:sc= 0 USER MOD Single : C 578 TYR OH : rot -22:sc= 0.239 USER MOD Single : C 579 SER OG : rot 180:sc= 0 USER MOD Single : C 581 SER OG : rot 180:sc= -0.464 USER MOD Single : C 583 SER OG : rot -40:sc= -3.6! USER MOD Single : C 584 SER OG : rot 180:sc= 0 USER MOD Single : C 585 SER OG : rot 180:sc= 0 USER MOD Single : C 593 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 596 GLN : amide:sc= -3.47! C(o=-3.5!,f=-10!) USER MOD Single : C 597 SER OG : rot 180:sc=-0.000627 USER MOD Single : C 601 SER OG : rot 169:sc= -3.08! USER MOD Single : C 603 ASN : amide:sc= -0.356 K(o=-0.36,f=-1.9!) USER MOD Single : C 607 THR OG1 : rot 180:sc= 0 USER MOD Single : C 609 SER OG : rot 180:sc= 0.00029 USER MOD Single : C 610 SER OG : rot 71:sc= 0.246 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= -0.374 K(o=-0.37,f=-2.7!) USER MOD Single : C 620 SER OG : rot 180:sc= 0 USER MOD Single : C 622 ASN : amide:sc= -0.137 X(o=-0.14,f=0) USER MOD Single : C 623 SER OG : rot 180:sc= 0 USER MOD Single : C 630 LYS NZ :NH3+ -162:sc= 0.0676 (180deg=0.0202) USER MOD Single : C 631 ASN : amide:sc= -0.274 K(o=-0.27,f=-1.2) USER MOD Single : C 633 SER OG : rot 28:sc= 0.155 USER MOD Single : C 634 SER OG : rot -7:sc= 0.84 USER MOD Single : C 636 THR OG1 : rot 180:sc= 0.00245 USER MOD Single : C 643 THR OG1 : rot 25:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 1 N THR C 557 11.831 14.145 -14.984 1.00 0.00 N ATOM 2 CA THR C 557 12.026 13.487 -13.661 1.00 0.00 C ATOM 3 C THR C 557 10.665 13.241 -13.009 1.00 0.00 C ATOM 4 O THR C 557 9.644 13.229 -13.667 1.00 0.00 O ATOM 5 CB THR C 557 12.867 14.395 -12.759 1.00 0.00 C ATOM 6 OG1 THR C 557 13.204 15.580 -13.468 1.00 0.00 O ATOM 7 CG2 THR C 557 14.144 13.665 -12.344 1.00 0.00 C ATOM 0 HA THR C 557 12.540 12.536 -13.800 1.00 0.00 H new ATOM 0 HB THR C 557 12.295 14.654 -11.868 1.00 0.00 H new ATOM 0 HG1 THR C 557 12.636 15.658 -14.263 1.00 0.00 H new ATOM 0 HG21 THR C 557 14.741 14.313 -11.702 1.00 0.00 H new ATOM 0 HG22 THR C 557 13.884 12.756 -11.801 1.00 0.00 H new ATOM 0 HG23 THR C 557 14.719 13.404 -13.232 1.00 0.00 H new ATOM 17 N GLY C 558 10.640 13.044 -11.719 1.00 0.00 N ATOM 18 CA GLY C 558 9.344 12.800 -11.028 1.00 0.00 C ATOM 19 C GLY C 558 9.489 11.615 -10.072 1.00 0.00 C ATOM 20 O GLY C 558 9.713 10.495 -10.486 1.00 0.00 O ATOM 0 H GLY C 558 11.462 13.042 -11.114 1.00 0.00 H new ATOM 0 HA2 GLY C 558 9.041 13.690 -10.477 1.00 0.00 H new ATOM 0 HA3 GLY C 558 8.562 12.597 -11.760 1.00 0.00 H new ATOM 24 N SER C 559 9.362 11.853 -8.795 1.00 0.00 N ATOM 25 CA SER C 559 9.493 10.740 -7.814 1.00 0.00 C ATOM 26 C SER C 559 8.596 11.019 -6.605 1.00 0.00 C ATOM 27 O SER C 559 8.192 12.140 -6.367 1.00 0.00 O ATOM 28 CB SER C 559 10.947 10.631 -7.355 1.00 0.00 C ATOM 29 OG SER C 559 11.755 10.220 -8.449 1.00 0.00 O ATOM 0 H SER C 559 9.173 12.770 -8.389 1.00 0.00 H new ATOM 0 HA SER C 559 9.191 9.804 -8.284 1.00 0.00 H new ATOM 0 HB2 SER C 559 11.293 11.592 -6.973 1.00 0.00 H new ATOM 0 HB3 SER C 559 11.030 9.915 -6.538 1.00 0.00 H new ATOM 0 HG SER C 559 12.688 10.151 -8.158 1.00 0.00 H new ATOM 35 N CYS C 560 8.283 10.009 -5.842 1.00 0.00 N ATOM 36 CA CYS C 560 7.414 10.216 -4.651 1.00 0.00 C ATOM 37 C CYS C 560 8.210 9.908 -3.382 1.00 0.00 C ATOM 38 O CYS C 560 9.224 9.240 -3.421 1.00 0.00 O ATOM 39 CB CYS C 560 6.205 9.280 -4.733 1.00 0.00 C ATOM 40 SG CYS C 560 6.740 7.568 -4.471 1.00 0.00 S ATOM 0 H CYS C 560 8.592 9.049 -5.992 1.00 0.00 H new ATOM 0 HA CYS C 560 7.072 11.251 -4.625 1.00 0.00 H new ATOM 0 HB2 CYS C 560 5.465 9.559 -3.983 1.00 0.00 H new ATOM 0 HB3 CYS C 560 5.724 9.376 -5.706 1.00 0.00 H new ATOM 45 N SER C 561 7.754 10.376 -2.252 1.00 0.00 N ATOM 46 CA SER C 561 8.484 10.094 -0.987 1.00 0.00 C ATOM 47 C SER C 561 7.802 8.941 -0.282 1.00 0.00 C ATOM 48 O SER C 561 7.771 8.840 0.928 1.00 0.00 O ATOM 49 CB SER C 561 8.455 11.318 -0.095 1.00 0.00 C ATOM 50 OG SER C 561 9.588 12.132 -0.367 1.00 0.00 O ATOM 0 H SER C 561 6.910 10.940 -2.152 1.00 0.00 H new ATOM 0 HA SER C 561 9.521 9.839 -1.207 1.00 0.00 H new ATOM 0 HB2 SER C 561 7.539 11.883 -0.266 1.00 0.00 H new ATOM 0 HB3 SER C 561 8.454 11.017 0.953 1.00 0.00 H new ATOM 0 HG SER C 561 9.494 12.989 0.099 1.00 0.00 H new ATOM 56 N VAL C 562 7.264 8.081 -1.060 1.00 0.00 N ATOM 57 CA VAL C 562 6.556 6.890 -0.518 1.00 0.00 C ATOM 58 C VAL C 562 7.514 5.698 -0.510 1.00 0.00 C ATOM 59 O VAL C 562 8.003 5.277 -1.539 1.00 0.00 O ATOM 60 CB VAL C 562 5.347 6.566 -1.400 1.00 0.00 C ATOM 61 CG1 VAL C 562 4.338 5.741 -0.601 1.00 0.00 C ATOM 62 CG2 VAL C 562 4.687 7.868 -1.866 1.00 0.00 C ATOM 0 H VAL C 562 7.277 8.141 -2.078 1.00 0.00 H new ATOM 0 HA VAL C 562 6.217 7.097 0.497 1.00 0.00 H new ATOM 0 HB VAL C 562 5.676 5.996 -2.269 1.00 0.00 H new ATOM 0 HG11 VAL C 562 3.478 5.511 -1.229 1.00 0.00 H new ATOM 0 HG12 VAL C 562 4.806 4.813 -0.272 1.00 0.00 H new ATOM 0 HG13 VAL C 562 4.010 6.310 0.269 1.00 0.00 H new ATOM 0 HG21 VAL C 562 3.827 7.635 -2.494 1.00 0.00 H new ATOM 0 HG22 VAL C 562 4.359 8.440 -0.998 1.00 0.00 H new ATOM 0 HG23 VAL C 562 5.405 8.456 -2.438 1.00 0.00 H new ATOM 72 N SER C 563 7.790 5.151 0.641 1.00 0.00 N ATOM 73 CA SER C 563 8.720 3.990 0.709 1.00 0.00 C ATOM 74 C SER C 563 8.017 2.807 1.372 1.00 0.00 C ATOM 75 O SER C 563 6.964 2.948 1.961 1.00 0.00 O ATOM 76 CB SER C 563 9.955 4.373 1.526 1.00 0.00 C ATOM 77 OG SER C 563 10.073 5.789 1.564 1.00 0.00 O ATOM 0 H SER C 563 7.412 5.458 1.537 1.00 0.00 H new ATOM 0 HA SER C 563 9.023 3.710 -0.300 1.00 0.00 H new ATOM 0 HB2 SER C 563 9.873 3.976 2.538 1.00 0.00 H new ATOM 0 HB3 SER C 563 10.849 3.934 1.083 1.00 0.00 H new ATOM 0 HG SER C 563 10.863 6.037 2.088 1.00 0.00 H new ATOM 83 N ALA C 564 8.592 1.639 1.284 1.00 0.00 N ATOM 84 CA ALA C 564 7.958 0.446 1.911 1.00 0.00 C ATOM 85 C ALA C 564 9.005 -0.323 2.717 1.00 0.00 C ATOM 86 O ALA C 564 9.702 -1.173 2.198 1.00 0.00 O ATOM 87 CB ALA C 564 7.385 -0.463 0.820 1.00 0.00 C ATOM 0 H ALA C 564 9.474 1.460 0.804 1.00 0.00 H new ATOM 0 HA ALA C 564 7.154 0.769 2.573 1.00 0.00 H new ATOM 0 HB1 ALA C 564 6.921 -1.336 1.280 1.00 0.00 H new ATOM 0 HB2 ALA C 564 6.638 0.085 0.246 1.00 0.00 H new ATOM 0 HB3 ALA C 564 8.188 -0.786 0.157 1.00 0.00 H new ATOM 93 N VAL C 565 9.119 -0.037 3.984 1.00 0.00 N ATOM 94 CA VAL C 565 10.118 -0.754 4.824 1.00 0.00 C ATOM 95 C VAL C 565 9.559 -2.118 5.213 1.00 0.00 C ATOM 96 O VAL C 565 8.367 -2.344 5.146 1.00 0.00 O ATOM 97 CB VAL C 565 10.385 0.047 6.096 1.00 0.00 C ATOM 98 CG1 VAL C 565 11.774 -0.299 6.635 1.00 0.00 C ATOM 99 CG2 VAL C 565 10.319 1.540 5.777 1.00 0.00 C ATOM 0 H VAL C 565 8.563 0.663 4.474 1.00 0.00 H new ATOM 0 HA VAL C 565 11.044 -0.874 4.261 1.00 0.00 H new ATOM 0 HB VAL C 565 9.634 -0.199 6.847 1.00 0.00 H new ATOM 0 HG11 VAL C 565 11.965 0.273 7.543 1.00 0.00 H new ATOM 0 HG12 VAL C 565 11.822 -1.364 6.860 1.00 0.00 H new ATOM 0 HG13 VAL C 565 12.527 -0.052 5.886 1.00 0.00 H new ATOM 0 HG21 VAL C 565 10.509 2.115 6.684 1.00 0.00 H new ATOM 0 HG22 VAL C 565 11.071 1.785 5.027 1.00 0.00 H new ATOM 0 HG23 VAL C 565 9.329 1.786 5.392 1.00 0.00 H new ATOM 109 N ARG C 566 10.409 -3.021 5.634 1.00 0.00 N ATOM 110 CA ARG C 566 9.927 -4.371 6.047 1.00 0.00 C ATOM 111 C ARG C 566 9.440 -4.295 7.493 1.00 0.00 C ATOM 112 O ARG C 566 9.967 -4.936 8.380 1.00 0.00 O ATOM 113 CB ARG C 566 11.071 -5.382 5.941 1.00 0.00 C ATOM 114 CG ARG C 566 11.424 -5.597 4.468 1.00 0.00 C ATOM 115 CD ARG C 566 11.603 -7.091 4.197 1.00 0.00 C ATOM 116 NE ARG C 566 10.940 -7.445 2.912 1.00 0.00 N ATOM 117 CZ ARG C 566 11.414 -6.986 1.786 1.00 0.00 C ATOM 118 NH1 ARG C 566 12.186 -7.739 1.049 1.00 0.00 N ATOM 119 NH2 ARG C 566 11.117 -5.778 1.396 1.00 0.00 N ATOM 0 H ARG C 566 11.416 -2.880 5.709 1.00 0.00 H new ATOM 0 HA ARG C 566 9.112 -4.690 5.397 1.00 0.00 H new ATOM 0 HB2 ARG C 566 11.943 -5.020 6.486 1.00 0.00 H new ATOM 0 HB3 ARG C 566 10.779 -6.327 6.398 1.00 0.00 H new ATOM 0 HG2 ARG C 566 10.636 -5.193 3.832 1.00 0.00 H new ATOM 0 HG3 ARG C 566 12.340 -5.060 4.221 1.00 0.00 H new ATOM 0 HD2 ARG C 566 12.663 -7.339 4.152 1.00 0.00 H new ATOM 0 HD3 ARG C 566 11.174 -7.673 5.012 1.00 0.00 H new ATOM 0 HE ARG C 566 10.116 -8.046 2.912 1.00 0.00 H new ATOM 0 HH11 ARG C 566 12.418 -8.684 1.354 1.00 0.00 H new ATOM 0 HH12 ARG C 566 12.557 -7.382 0.169 1.00 0.00 H new ATOM 0 HH21 ARG C 566 10.513 -5.190 1.971 1.00 0.00 H new ATOM 0 HH22 ARG C 566 11.488 -5.421 0.516 1.00 0.00 H new ATOM 133 N GLY C 567 8.438 -3.497 7.719 1.00 0.00 N ATOM 134 CA GLY C 567 7.874 -3.326 9.084 1.00 0.00 C ATOM 135 C GLY C 567 7.888 -4.664 9.827 1.00 0.00 C ATOM 136 O GLY C 567 7.926 -5.719 9.226 1.00 0.00 O ATOM 0 H GLY C 567 7.975 -2.943 6.998 1.00 0.00 H new ATOM 0 HA2 GLY C 567 8.455 -2.588 9.637 1.00 0.00 H new ATOM 0 HA3 GLY C 567 6.854 -2.947 9.020 1.00 0.00 H new ATOM 140 N GLU C 568 7.869 -4.624 11.132 1.00 0.00 N ATOM 141 CA GLU C 568 7.893 -5.885 11.930 1.00 0.00 C ATOM 142 C GLU C 568 7.008 -6.945 11.270 1.00 0.00 C ATOM 143 O GLU C 568 6.144 -6.640 10.472 1.00 0.00 O ATOM 144 CB GLU C 568 7.379 -5.601 13.342 1.00 0.00 C ATOM 145 CG GLU C 568 8.529 -5.094 14.213 1.00 0.00 C ATOM 146 CD GLU C 568 8.041 -4.920 15.653 1.00 0.00 C ATOM 147 OE1 GLU C 568 7.048 -4.236 15.842 1.00 0.00 O ATOM 148 OE2 GLU C 568 8.667 -5.475 16.541 1.00 0.00 O ATOM 0 H GLU C 568 7.838 -3.767 11.684 1.00 0.00 H new ATOM 0 HA GLU C 568 8.917 -6.257 11.977 1.00 0.00 H new ATOM 0 HB2 GLU C 568 6.581 -4.859 13.307 1.00 0.00 H new ATOM 0 HB3 GLU C 568 6.954 -6.507 13.774 1.00 0.00 H new ATOM 0 HG2 GLU C 568 9.360 -5.798 14.182 1.00 0.00 H new ATOM 0 HG3 GLU C 568 8.901 -4.145 13.827 1.00 0.00 H new ATOM 155 N GLU C 569 7.219 -8.191 11.602 1.00 0.00 N ATOM 156 CA GLU C 569 6.395 -9.277 11.002 1.00 0.00 C ATOM 157 C GLU C 569 6.216 -10.402 12.025 1.00 0.00 C ATOM 158 O GLU C 569 6.449 -10.222 13.203 1.00 0.00 O ATOM 159 CB GLU C 569 7.097 -9.826 9.757 1.00 0.00 C ATOM 160 CG GLU C 569 7.871 -8.701 9.067 1.00 0.00 C ATOM 161 CD GLU C 569 9.206 -8.483 9.783 1.00 0.00 C ATOM 162 OE1 GLU C 569 9.634 -9.387 10.483 1.00 0.00 O ATOM 163 OE2 GLU C 569 9.776 -7.418 9.618 1.00 0.00 O ATOM 0 H GLU C 569 7.929 -8.503 12.265 1.00 0.00 H new ATOM 0 HA GLU C 569 5.420 -8.880 10.721 1.00 0.00 H new ATOM 0 HB2 GLU C 569 7.777 -10.631 10.036 1.00 0.00 H new ATOM 0 HB3 GLU C 569 6.364 -10.251 9.071 1.00 0.00 H new ATOM 0 HG2 GLU C 569 8.045 -8.954 8.021 1.00 0.00 H new ATOM 0 HG3 GLU C 569 7.285 -7.782 9.080 1.00 0.00 H new ATOM 170 N TRP C 570 5.805 -11.560 11.584 1.00 0.00 N ATOM 171 CA TRP C 570 5.615 -12.690 12.536 1.00 0.00 C ATOM 172 C TRP C 570 6.075 -13.997 11.880 1.00 0.00 C ATOM 173 O TRP C 570 7.246 -14.321 11.879 1.00 0.00 O ATOM 174 CB TRP C 570 4.135 -12.793 12.914 1.00 0.00 C ATOM 175 CG TRP C 570 3.781 -11.690 13.860 1.00 0.00 C ATOM 176 CD1 TRP C 570 3.970 -11.726 15.199 1.00 0.00 C ATOM 177 CD2 TRP C 570 3.182 -10.395 13.565 1.00 0.00 C ATOM 178 NE1 TRP C 570 3.525 -10.535 15.745 1.00 0.00 N ATOM 179 CE2 TRP C 570 3.030 -9.682 14.778 1.00 0.00 C ATOM 180 CE3 TRP C 570 2.759 -9.774 12.375 1.00 0.00 C ATOM 181 CZ2 TRP C 570 2.479 -8.401 14.810 1.00 0.00 C ATOM 182 CZ3 TRP C 570 2.204 -8.484 12.403 1.00 0.00 C ATOM 183 CH2 TRP C 570 2.064 -7.799 13.619 1.00 0.00 C ATOM 0 H TRP C 570 5.593 -11.771 10.609 1.00 0.00 H new ATOM 0 HA TRP C 570 6.206 -12.513 13.435 1.00 0.00 H new ATOM 0 HB2 TRP C 570 3.516 -12.731 12.019 1.00 0.00 H new ATOM 0 HB3 TRP C 570 3.933 -13.760 13.375 1.00 0.00 H new ATOM 0 HD1 TRP C 570 4.398 -12.549 15.751 1.00 0.00 H new ATOM 0 HE1 TRP C 570 3.558 -10.314 16.740 1.00 0.00 H new ATOM 0 HE3 TRP C 570 2.862 -10.293 11.434 1.00 0.00 H new ATOM 0 HZ2 TRP C 570 2.374 -7.878 15.749 1.00 0.00 H new ATOM 0 HZ3 TRP C 570 1.883 -8.017 11.483 1.00 0.00 H new ATOM 0 HH2 TRP C 570 1.636 -6.808 13.635 1.00 0.00 H new ATOM 194 N ALA C 571 5.166 -14.753 11.322 1.00 0.00 N ATOM 195 CA ALA C 571 5.559 -16.034 10.671 1.00 0.00 C ATOM 196 C ALA C 571 4.770 -16.206 9.372 1.00 0.00 C ATOM 197 O ALA C 571 5.302 -16.064 8.289 1.00 0.00 O ATOM 198 CB ALA C 571 5.249 -17.198 11.613 1.00 0.00 C ATOM 0 H ALA C 571 4.170 -14.538 11.290 1.00 0.00 H new ATOM 0 HA ALA C 571 6.626 -16.019 10.450 1.00 0.00 H new ATOM 0 HB1 ALA C 571 5.536 -18.136 11.138 1.00 0.00 H new ATOM 0 HB2 ALA C 571 5.808 -17.074 12.540 1.00 0.00 H new ATOM 0 HB3 ALA C 571 4.181 -17.214 11.833 1.00 0.00 H new ATOM 204 N ASP C 572 3.503 -16.504 9.470 1.00 0.00 N ATOM 205 CA ASP C 572 2.681 -16.678 8.239 1.00 0.00 C ATOM 206 C ASP C 572 2.291 -15.299 7.706 1.00 0.00 C ATOM 207 O ASP C 572 2.247 -15.072 6.513 1.00 0.00 O ATOM 208 CB ASP C 572 1.419 -17.475 8.573 1.00 0.00 C ATOM 209 CG ASP C 572 0.545 -16.671 9.537 1.00 0.00 C ATOM 210 OD1 ASP C 572 0.812 -16.718 10.727 1.00 0.00 O ATOM 211 OD2 ASP C 572 -0.375 -16.020 9.070 1.00 0.00 O ATOM 0 H ASP C 572 3.002 -16.634 10.349 1.00 0.00 H new ATOM 0 HA ASP C 572 3.254 -17.217 7.485 1.00 0.00 H new ATOM 0 HB2 ASP C 572 0.864 -17.696 7.661 1.00 0.00 H new ATOM 0 HB3 ASP C 572 1.689 -18.431 9.022 1.00 0.00 H new ATOM 216 N ARG C 573 2.016 -14.374 8.584 1.00 0.00 N ATOM 217 CA ARG C 573 1.639 -13.006 8.134 1.00 0.00 C ATOM 218 C ARG C 573 2.772 -12.037 8.481 1.00 0.00 C ATOM 219 O ARG C 573 3.489 -12.227 9.443 1.00 0.00 O ATOM 220 CB ARG C 573 0.351 -12.574 8.834 1.00 0.00 C ATOM 221 CG ARG C 573 0.661 -12.263 10.292 1.00 0.00 C ATOM 222 CD ARG C 573 -0.592 -11.728 10.987 1.00 0.00 C ATOM 223 NE ARG C 573 -0.371 -11.702 12.459 1.00 0.00 N ATOM 224 CZ ARG C 573 -1.359 -11.423 13.264 1.00 0.00 C ATOM 225 NH1 ARG C 573 -1.328 -10.333 13.982 1.00 0.00 N ATOM 226 NH2 ARG C 573 -2.379 -12.232 13.350 1.00 0.00 N ATOM 0 H ARG C 573 2.036 -14.508 9.595 1.00 0.00 H new ATOM 0 HA ARG C 573 1.475 -13.002 7.056 1.00 0.00 H new ATOM 0 HB2 ARG C 573 -0.069 -11.696 8.343 1.00 0.00 H new ATOM 0 HB3 ARG C 573 -0.397 -13.364 8.768 1.00 0.00 H new ATOM 0 HG2 ARG C 573 1.012 -13.162 10.798 1.00 0.00 H new ATOM 0 HG3 ARG C 573 1.464 -11.528 10.354 1.00 0.00 H new ATOM 0 HD2 ARG C 573 -0.821 -10.726 10.625 1.00 0.00 H new ATOM 0 HD3 ARG C 573 -1.450 -12.357 10.748 1.00 0.00 H new ATOM 0 HE ARG C 573 0.554 -11.903 12.839 1.00 0.00 H new ATOM 0 HH11 ARG C 573 -0.531 -9.700 13.913 1.00 0.00 H new ATOM 0 HH12 ARG C 573 -2.100 -10.115 14.611 1.00 0.00 H new ATOM 0 HH21 ARG C 573 -2.404 -13.083 12.788 1.00 0.00 H new ATOM 0 HH22 ARG C 573 -3.151 -12.014 13.979 1.00 0.00 H new ATOM 240 N PHE C 574 2.941 -11.002 7.706 1.00 0.00 N ATOM 241 CA PHE C 574 4.031 -10.030 7.998 1.00 0.00 C ATOM 242 C PHE C 574 3.465 -8.610 7.990 1.00 0.00 C ATOM 243 O PHE C 574 2.474 -8.329 7.346 1.00 0.00 O ATOM 244 CB PHE C 574 5.125 -10.152 6.933 1.00 0.00 C ATOM 245 CG PHE C 574 4.611 -9.617 5.618 1.00 0.00 C ATOM 246 CD1 PHE C 574 3.630 -10.322 4.911 1.00 0.00 C ATOM 247 CD2 PHE C 574 5.117 -8.417 5.106 1.00 0.00 C ATOM 248 CE1 PHE C 574 3.153 -9.826 3.692 1.00 0.00 C ATOM 249 CE2 PHE C 574 4.640 -7.921 3.886 1.00 0.00 C ATOM 250 CZ PHE C 574 3.659 -8.626 3.179 1.00 0.00 C ATOM 0 H PHE C 574 2.374 -10.788 6.886 1.00 0.00 H new ATOM 0 HA PHE C 574 4.455 -10.245 8.979 1.00 0.00 H new ATOM 0 HB2 PHE C 574 6.011 -9.597 7.242 1.00 0.00 H new ATOM 0 HB3 PHE C 574 5.424 -11.194 6.822 1.00 0.00 H new ATOM 0 HD1 PHE C 574 3.241 -11.249 5.306 1.00 0.00 H new ATOM 0 HD2 PHE C 574 5.875 -7.874 5.651 1.00 0.00 H new ATOM 0 HE1 PHE C 574 2.395 -10.369 3.147 1.00 0.00 H new ATOM 0 HE2 PHE C 574 5.029 -6.994 3.491 1.00 0.00 H new ATOM 0 HZ PHE C 574 3.292 -8.244 2.238 1.00 0.00 H new ATOM 260 N ASN C 575 4.090 -7.711 8.699 1.00 0.00 N ATOM 261 CA ASN C 575 3.591 -6.309 8.735 1.00 0.00 C ATOM 262 C ASN C 575 4.544 -5.416 7.940 1.00 0.00 C ATOM 263 O ASN C 575 5.599 -5.841 7.514 1.00 0.00 O ATOM 264 CB ASN C 575 3.534 -5.824 10.186 1.00 0.00 C ATOM 265 CG ASN C 575 2.407 -4.803 10.340 1.00 0.00 C ATOM 266 OD1 ASN C 575 1.664 -4.556 9.411 1.00 0.00 O ATOM 267 ND2 ASN C 575 2.246 -4.194 11.482 1.00 0.00 N ATOM 0 H ASN C 575 4.926 -7.888 9.256 1.00 0.00 H new ATOM 0 HA ASN C 575 2.593 -6.265 8.298 1.00 0.00 H new ATOM 0 HB2 ASN C 575 3.368 -6.668 10.856 1.00 0.00 H new ATOM 0 HB3 ASN C 575 4.486 -5.375 10.468 1.00 0.00 H new ATOM 0 HD21 ASN C 575 1.497 -3.511 11.595 1.00 0.00 H new ATOM 0 HD22 ASN C 575 2.869 -4.401 12.263 1.00 0.00 H new ATOM 274 N VAL C 576 4.182 -4.180 7.739 1.00 0.00 N ATOM 275 CA VAL C 576 5.070 -3.262 6.974 1.00 0.00 C ATOM 276 C VAL C 576 4.871 -1.830 7.468 1.00 0.00 C ATOM 277 O VAL C 576 3.852 -1.489 8.036 1.00 0.00 O ATOM 278 CB VAL C 576 4.725 -3.333 5.486 1.00 0.00 C ATOM 279 CG1 VAL C 576 5.918 -2.861 4.657 1.00 0.00 C ATOM 280 CG2 VAL C 576 4.388 -4.776 5.108 1.00 0.00 C ATOM 0 H VAL C 576 3.311 -3.766 8.071 1.00 0.00 H new ATOM 0 HA VAL C 576 6.108 -3.561 7.122 1.00 0.00 H new ATOM 0 HB VAL C 576 3.867 -2.691 5.286 1.00 0.00 H new ATOM 0 HG11 VAL C 576 5.668 -2.913 3.597 1.00 0.00 H new ATOM 0 HG12 VAL C 576 6.161 -1.832 4.922 1.00 0.00 H new ATOM 0 HG13 VAL C 576 6.777 -3.501 4.859 1.00 0.00 H new ATOM 0 HG21 VAL C 576 4.142 -4.826 4.047 1.00 0.00 H new ATOM 0 HG22 VAL C 576 5.247 -5.416 5.312 1.00 0.00 H new ATOM 0 HG23 VAL C 576 3.535 -5.116 5.695 1.00 0.00 H new ATOM 290 N THR C 577 5.841 -0.990 7.249 1.00 0.00 N ATOM 291 CA THR C 577 5.721 0.426 7.696 1.00 0.00 C ATOM 292 C THR C 577 6.040 1.356 6.523 1.00 0.00 C ATOM 293 O THR C 577 7.185 1.668 6.259 1.00 0.00 O ATOM 294 CB THR C 577 6.707 0.688 8.838 1.00 0.00 C ATOM 295 OG1 THR C 577 6.511 -0.280 9.861 1.00 0.00 O ATOM 296 CG2 THR C 577 6.475 2.088 9.406 1.00 0.00 C ATOM 0 H THR C 577 6.715 -1.223 6.778 1.00 0.00 H new ATOM 0 HA THR C 577 4.705 0.613 8.045 1.00 0.00 H new ATOM 0 HB THR C 577 7.727 0.618 8.461 1.00 0.00 H new ATOM 0 HG1 THR C 577 7.142 -0.115 10.592 1.00 0.00 H new ATOM 0 HG21 THR C 577 7.178 2.272 10.219 1.00 0.00 H new ATOM 0 HG22 THR C 577 6.626 2.829 8.621 1.00 0.00 H new ATOM 0 HG23 THR C 577 5.455 2.163 9.784 1.00 0.00 H new ATOM 304 N TYR C 578 5.037 1.798 5.814 1.00 0.00 N ATOM 305 CA TYR C 578 5.282 2.703 4.657 1.00 0.00 C ATOM 306 C TYR C 578 5.507 4.131 5.162 1.00 0.00 C ATOM 307 O TYR C 578 4.820 4.603 6.047 1.00 0.00 O ATOM 308 CB TYR C 578 4.069 2.676 3.725 1.00 0.00 C ATOM 309 CG TYR C 578 3.856 1.269 3.216 1.00 0.00 C ATOM 310 CD1 TYR C 578 4.526 0.832 2.068 1.00 0.00 C ATOM 311 CD2 TYR C 578 2.990 0.402 3.894 1.00 0.00 C ATOM 312 CE1 TYR C 578 4.330 -0.472 1.597 1.00 0.00 C ATOM 313 CE2 TYR C 578 2.794 -0.901 3.423 1.00 0.00 C ATOM 314 CZ TYR C 578 3.464 -1.338 2.274 1.00 0.00 C ATOM 315 OH TYR C 578 3.271 -2.623 1.809 1.00 0.00 O ATOM 0 H TYR C 578 4.058 1.571 5.987 1.00 0.00 H new ATOM 0 HA TYR C 578 6.166 2.368 4.114 1.00 0.00 H new ATOM 0 HB2 TYR C 578 3.181 3.020 4.256 1.00 0.00 H new ATOM 0 HB3 TYR C 578 4.225 3.357 2.888 1.00 0.00 H new ATOM 0 HD1 TYR C 578 5.194 1.500 1.545 1.00 0.00 H new ATOM 0 HD2 TYR C 578 2.473 0.739 4.780 1.00 0.00 H new ATOM 0 HE1 TYR C 578 4.847 -0.809 0.711 1.00 0.00 H new ATOM 0 HE2 TYR C 578 2.126 -1.569 3.946 1.00 0.00 H new ATOM 0 HH TYR C 578 3.499 -2.664 0.857 1.00 0.00 H new ATOM 325 N SER C 579 6.469 4.822 4.608 1.00 0.00 N ATOM 326 CA SER C 579 6.742 6.217 5.060 1.00 0.00 C ATOM 327 C SER C 579 6.572 7.183 3.884 1.00 0.00 C ATOM 328 O SER C 579 7.234 7.069 2.871 1.00 0.00 O ATOM 329 CB SER C 579 8.172 6.310 5.591 1.00 0.00 C ATOM 330 OG SER C 579 8.450 5.170 6.395 1.00 0.00 O ATOM 0 H SER C 579 7.076 4.480 3.863 1.00 0.00 H new ATOM 0 HA SER C 579 6.041 6.483 5.851 1.00 0.00 H new ATOM 0 HB2 SER C 579 8.877 6.365 4.762 1.00 0.00 H new ATOM 0 HB3 SER C 579 8.296 7.221 6.176 1.00 0.00 H new ATOM 0 HG SER C 579 9.367 5.226 6.736 1.00 0.00 H new ATOM 336 N VAL C 580 5.690 8.135 4.015 1.00 0.00 N ATOM 337 CA VAL C 580 5.470 9.115 2.913 1.00 0.00 C ATOM 338 C VAL C 580 6.032 10.477 3.332 1.00 0.00 C ATOM 339 O VAL C 580 5.937 10.873 4.478 1.00 0.00 O ATOM 340 CB VAL C 580 3.963 9.213 2.635 1.00 0.00 C ATOM 341 CG1 VAL C 580 3.605 10.568 2.015 1.00 0.00 C ATOM 342 CG2 VAL C 580 3.570 8.097 1.669 1.00 0.00 C ATOM 0 H VAL C 580 5.109 8.277 4.841 1.00 0.00 H new ATOM 0 HA VAL C 580 5.980 8.792 2.005 1.00 0.00 H new ATOM 0 HB VAL C 580 3.423 9.114 3.577 1.00 0.00 H new ATOM 0 HG11 VAL C 580 2.532 10.611 1.828 1.00 0.00 H new ATOM 0 HG12 VAL C 580 3.886 11.367 2.701 1.00 0.00 H new ATOM 0 HG13 VAL C 580 4.142 10.691 1.074 1.00 0.00 H new ATOM 0 HG21 VAL C 580 2.501 8.154 1.462 1.00 0.00 H new ATOM 0 HG22 VAL C 580 4.126 8.209 0.738 1.00 0.00 H new ATOM 0 HG23 VAL C 580 3.802 7.130 2.116 1.00 0.00 H new ATOM 352 N SER C 581 6.615 11.197 2.413 1.00 0.00 N ATOM 353 CA SER C 581 7.183 12.531 2.761 1.00 0.00 C ATOM 354 C SER C 581 7.284 13.386 1.497 1.00 0.00 C ATOM 355 O SER C 581 8.339 13.876 1.149 1.00 0.00 O ATOM 356 CB SER C 581 8.573 12.351 3.369 1.00 0.00 C ATOM 357 OG SER C 581 8.721 11.010 3.815 1.00 0.00 O ATOM 0 H SER C 581 6.723 10.920 1.437 1.00 0.00 H new ATOM 0 HA SER C 581 6.534 13.026 3.483 1.00 0.00 H new ATOM 0 HB2 SER C 581 9.339 12.587 2.630 1.00 0.00 H new ATOM 0 HB3 SER C 581 8.710 13.041 4.202 1.00 0.00 H new ATOM 0 HG SER C 581 9.613 10.891 4.204 1.00 0.00 H new ATOM 363 N GLY C 582 6.192 13.567 0.807 1.00 0.00 N ATOM 364 CA GLY C 582 6.223 14.390 -0.435 1.00 0.00 C ATOM 365 C GLY C 582 4.959 14.121 -1.252 1.00 0.00 C ATOM 366 O GLY C 582 4.484 14.971 -1.978 1.00 0.00 O ATOM 0 H GLY C 582 5.280 13.181 1.049 1.00 0.00 H new ATOM 0 HA2 GLY C 582 6.288 15.448 -0.182 1.00 0.00 H new ATOM 0 HA3 GLY C 582 7.108 14.148 -1.023 1.00 0.00 H new ATOM 370 N SER C 583 4.409 12.944 -1.137 1.00 0.00 N ATOM 371 CA SER C 583 3.176 12.620 -1.906 1.00 0.00 C ATOM 372 C SER C 583 2.086 13.642 -1.577 1.00 0.00 C ATOM 373 O SER C 583 1.436 14.172 -2.455 1.00 0.00 O ATOM 374 CB SER C 583 2.691 11.220 -1.526 1.00 0.00 C ATOM 375 OG SER C 583 3.797 10.326 -1.519 1.00 0.00 O ATOM 0 H SER C 583 4.761 12.193 -0.543 1.00 0.00 H new ATOM 0 HA SER C 583 3.395 12.652 -2.973 1.00 0.00 H new ATOM 0 HB2 SER C 583 2.219 11.240 -0.544 1.00 0.00 H new ATOM 0 HB3 SER C 583 1.937 10.879 -2.235 1.00 0.00 H new ATOM 0 HG SER C 583 4.385 10.527 -2.277 1.00 0.00 H new ATOM 381 N SER C 584 1.883 13.921 -0.318 1.00 0.00 N ATOM 382 CA SER C 584 0.834 14.908 0.069 1.00 0.00 C ATOM 383 C SER C 584 -0.546 14.269 -0.094 1.00 0.00 C ATOM 384 O SER C 584 -1.140 13.801 0.858 1.00 0.00 O ATOM 385 CB SER C 584 0.937 16.143 -0.827 1.00 0.00 C ATOM 386 OG SER C 584 1.170 17.290 -0.019 1.00 0.00 O ATOM 0 H SER C 584 2.398 13.508 0.460 1.00 0.00 H new ATOM 0 HA SER C 584 0.978 15.205 1.108 1.00 0.00 H new ATOM 0 HB2 SER C 584 1.747 16.019 -1.545 1.00 0.00 H new ATOM 0 HB3 SER C 584 0.019 16.268 -1.401 1.00 0.00 H new ATOM 0 HG SER C 584 1.238 18.084 -0.590 1.00 0.00 H new ATOM 392 N SER C 585 -1.060 14.242 -1.292 1.00 0.00 N ATOM 393 CA SER C 585 -2.399 13.629 -1.516 1.00 0.00 C ATOM 394 C SER C 585 -2.253 12.109 -1.583 1.00 0.00 C ATOM 395 O SER C 585 -1.605 11.577 -2.462 1.00 0.00 O ATOM 396 CB SER C 585 -2.983 14.146 -2.831 1.00 0.00 C ATOM 397 OG SER C 585 -4.316 14.588 -2.611 1.00 0.00 O ATOM 0 H SER C 585 -0.610 14.618 -2.127 1.00 0.00 H new ATOM 0 HA SER C 585 -3.066 13.895 -0.696 1.00 0.00 H new ATOM 0 HB2 SER C 585 -2.375 14.965 -3.215 1.00 0.00 H new ATOM 0 HB3 SER C 585 -2.969 13.358 -3.584 1.00 0.00 H new ATOM 0 HG SER C 585 -4.693 14.922 -3.452 1.00 0.00 H new ATOM 403 N TRP C 586 -2.851 11.403 -0.663 1.00 0.00 N ATOM 404 CA TRP C 586 -2.741 9.917 -0.681 1.00 0.00 C ATOM 405 C TRP C 586 -3.514 9.345 -1.865 1.00 0.00 C ATOM 406 O TRP C 586 -4.708 9.530 -1.998 1.00 0.00 O ATOM 407 CB TRP C 586 -3.302 9.334 0.612 1.00 0.00 C ATOM 408 CG TRP C 586 -2.195 9.153 1.598 1.00 0.00 C ATOM 409 CD1 TRP C 586 -2.035 9.858 2.739 1.00 0.00 C ATOM 410 CD2 TRP C 586 -1.094 8.203 1.546 1.00 0.00 C ATOM 411 NE1 TRP C 586 -0.903 9.396 3.389 1.00 0.00 N ATOM 412 CE2 TRP C 586 -0.294 8.379 2.695 1.00 0.00 C ATOM 413 CE3 TRP C 586 -0.720 7.214 0.623 1.00 0.00 C ATOM 414 CZ2 TRP C 586 0.838 7.604 2.924 1.00 0.00 C ATOM 415 CZ3 TRP C 586 0.423 6.428 0.849 1.00 0.00 C ATOM 416 CH2 TRP C 586 1.199 6.622 1.999 1.00 0.00 C ATOM 0 H TRP C 586 -3.409 11.789 0.098 1.00 0.00 H new ATOM 0 HA TRP C 586 -1.688 9.651 -0.774 1.00 0.00 H new ATOM 0 HB2 TRP C 586 -4.064 9.997 1.022 1.00 0.00 H new ATOM 0 HB3 TRP C 586 -3.786 8.378 0.413 1.00 0.00 H new ATOM 0 HD1 TRP C 586 -2.682 10.650 3.086 1.00 0.00 H new ATOM 0 HE1 TRP C 586 -0.562 9.766 4.276 1.00 0.00 H new ATOM 0 HE3 TRP C 586 -1.314 7.056 -0.265 1.00 0.00 H new ATOM 0 HZ2 TRP C 586 1.434 7.761 3.811 1.00 0.00 H new ATOM 0 HZ3 TRP C 586 0.704 5.671 0.132 1.00 0.00 H new ATOM 0 HH2 TRP C 586 2.075 6.013 2.170 1.00 0.00 H new ATOM 427 N VAL C 587 -2.832 8.643 -2.721 1.00 0.00 N ATOM 428 CA VAL C 587 -3.500 8.041 -3.900 1.00 0.00 C ATOM 429 C VAL C 587 -2.620 6.918 -4.449 1.00 0.00 C ATOM 430 O VAL C 587 -2.598 6.656 -5.636 1.00 0.00 O ATOM 431 CB VAL C 587 -3.699 9.112 -4.963 1.00 0.00 C ATOM 432 CG1 VAL C 587 -2.338 9.603 -5.459 1.00 0.00 C ATOM 433 CG2 VAL C 587 -4.496 8.527 -6.131 1.00 0.00 C ATOM 0 H VAL C 587 -1.831 8.460 -2.652 1.00 0.00 H new ATOM 0 HA VAL C 587 -4.471 7.634 -3.616 1.00 0.00 H new ATOM 0 HB VAL C 587 -4.247 9.952 -4.536 1.00 0.00 H new ATOM 0 HG11 VAL C 587 -2.483 10.370 -6.220 1.00 0.00 H new ATOM 0 HG12 VAL C 587 -1.776 10.022 -4.624 1.00 0.00 H new ATOM 0 HG13 VAL C 587 -1.784 8.768 -5.887 1.00 0.00 H new ATOM 0 HG21 VAL C 587 -4.639 9.293 -6.893 1.00 0.00 H new ATOM 0 HG22 VAL C 587 -3.950 7.686 -6.559 1.00 0.00 H new ATOM 0 HG23 VAL C 587 -5.467 8.185 -5.774 1.00 0.00 H new ATOM 443 N VAL C 588 -1.890 6.256 -3.595 1.00 0.00 N ATOM 444 CA VAL C 588 -1.008 5.152 -4.068 1.00 0.00 C ATOM 445 C VAL C 588 -1.835 3.903 -4.294 1.00 0.00 C ATOM 446 O VAL C 588 -2.813 3.661 -3.616 1.00 0.00 O ATOM 447 CB VAL C 588 0.039 4.816 -3.006 1.00 0.00 C ATOM 448 CG1 VAL C 588 -0.666 4.607 -1.668 1.00 0.00 C ATOM 449 CG2 VAL C 588 0.758 3.513 -3.394 1.00 0.00 C ATOM 0 H VAL C 588 -1.866 6.431 -2.590 1.00 0.00 H new ATOM 0 HA VAL C 588 -0.524 5.476 -4.990 1.00 0.00 H new ATOM 0 HB VAL C 588 0.761 5.629 -2.931 1.00 0.00 H new ATOM 0 HG11 VAL C 588 0.071 4.367 -0.902 1.00 0.00 H new ATOM 0 HG12 VAL C 588 -1.195 5.518 -1.389 1.00 0.00 H new ATOM 0 HG13 VAL C 588 -1.378 3.787 -1.756 1.00 0.00 H new ATOM 0 HG21 VAL C 588 1.505 3.271 -2.638 1.00 0.00 H new ATOM 0 HG22 VAL C 588 0.032 2.702 -3.459 1.00 0.00 H new ATOM 0 HG23 VAL C 588 1.247 3.641 -4.360 1.00 0.00 H new ATOM 459 N THR C 589 -1.420 3.091 -5.214 1.00 0.00 N ATOM 460 CA THR C 589 -2.149 1.828 -5.463 1.00 0.00 C ATOM 461 C THR C 589 -1.257 0.656 -5.051 1.00 0.00 C ATOM 462 O THR C 589 -0.202 0.436 -5.615 1.00 0.00 O ATOM 463 CB THR C 589 -2.509 1.715 -6.946 1.00 0.00 C ATOM 464 OG1 THR C 589 -1.645 2.550 -7.706 1.00 0.00 O ATOM 465 CG2 THR C 589 -3.959 2.153 -7.155 1.00 0.00 C ATOM 0 H THR C 589 -0.605 3.248 -5.806 1.00 0.00 H new ATOM 0 HA THR C 589 -3.070 1.813 -4.881 1.00 0.00 H new ATOM 0 HB THR C 589 -2.394 0.681 -7.271 1.00 0.00 H new ATOM 0 HG1 THR C 589 -1.873 2.478 -8.656 1.00 0.00 H new ATOM 0 HG21 THR C 589 -4.215 2.072 -8.211 1.00 0.00 H new ATOM 0 HG22 THR C 589 -4.620 1.512 -6.572 1.00 0.00 H new ATOM 0 HG23 THR C 589 -4.077 3.187 -6.831 1.00 0.00 H new ATOM 473 N LEU C 590 -1.665 -0.091 -4.061 1.00 0.00 N ATOM 474 CA LEU C 590 -0.838 -1.241 -3.603 1.00 0.00 C ATOM 475 C LEU C 590 -1.088 -2.444 -4.512 1.00 0.00 C ATOM 476 O LEU C 590 -2.216 -2.828 -4.753 1.00 0.00 O ATOM 477 CB LEU C 590 -1.221 -1.604 -2.165 1.00 0.00 C ATOM 478 CG LEU C 590 -0.475 -0.690 -1.191 1.00 0.00 C ATOM 479 CD1 LEU C 590 -1.202 0.652 -1.090 1.00 0.00 C ATOM 480 CD2 LEU C 590 -0.429 -1.349 0.190 1.00 0.00 C ATOM 0 H LEU C 590 -2.537 0.047 -3.550 1.00 0.00 H new ATOM 0 HA LEU C 590 0.216 -0.967 -3.643 1.00 0.00 H new ATOM 0 HB2 LEU C 590 -2.297 -1.499 -2.027 1.00 0.00 H new ATOM 0 HB3 LEU C 590 -0.974 -2.646 -1.964 1.00 0.00 H new ATOM 0 HG LEU C 590 0.540 -0.526 -1.552 1.00 0.00 H new ATOM 0 HD11 LEU C 590 -0.670 1.303 -0.396 1.00 0.00 H new ATOM 0 HD12 LEU C 590 -1.237 1.122 -2.073 1.00 0.00 H new ATOM 0 HD13 LEU C 590 -2.218 0.489 -0.729 1.00 0.00 H new ATOM 0 HD21 LEU C 590 0.102 -0.699 0.886 1.00 0.00 H new ATOM 0 HD22 LEU C 590 -1.445 -1.512 0.549 1.00 0.00 H new ATOM 0 HD23 LEU C 590 0.089 -2.306 0.120 1.00 0.00 H new ATOM 492 N GLY C 591 -0.044 -3.041 -5.020 1.00 0.00 N ATOM 493 CA GLY C 591 -0.221 -4.220 -5.915 1.00 0.00 C ATOM 494 C GLY C 591 0.065 -5.505 -5.134 1.00 0.00 C ATOM 495 O GLY C 591 1.179 -5.989 -5.102 1.00 0.00 O ATOM 0 H GLY C 591 0.923 -2.763 -4.854 1.00 0.00 H new ATOM 0 HA2 GLY C 591 -1.237 -4.241 -6.309 1.00 0.00 H new ATOM 0 HA3 GLY C 591 0.451 -4.145 -6.770 1.00 0.00 H new ATOM 499 N LEU C 592 -0.934 -6.062 -4.504 1.00 0.00 N ATOM 500 CA LEU C 592 -0.725 -7.310 -3.729 1.00 0.00 C ATOM 501 C LEU C 592 -0.591 -8.493 -4.690 1.00 0.00 C ATOM 502 O LEU C 592 -1.472 -8.764 -5.483 1.00 0.00 O ATOM 503 CB LEU C 592 -1.927 -7.526 -2.811 1.00 0.00 C ATOM 504 CG LEU C 592 -1.668 -6.860 -1.459 1.00 0.00 C ATOM 505 CD1 LEU C 592 -1.391 -5.370 -1.667 1.00 0.00 C ATOM 506 CD2 LEU C 592 -2.898 -7.029 -0.564 1.00 0.00 C ATOM 0 H LEU C 592 -1.888 -5.702 -4.495 1.00 0.00 H new ATOM 0 HA LEU C 592 0.185 -7.230 -3.134 1.00 0.00 H new ATOM 0 HB2 LEU C 592 -2.825 -7.109 -3.267 1.00 0.00 H new ATOM 0 HB3 LEU C 592 -2.105 -8.593 -2.674 1.00 0.00 H new ATOM 0 HG LEU C 592 -0.805 -7.327 -0.984 1.00 0.00 H new ATOM 0 HD11 LEU C 592 -1.207 -4.896 -0.703 1.00 0.00 H new ATOM 0 HD12 LEU C 592 -0.515 -5.248 -2.305 1.00 0.00 H new ATOM 0 HD13 LEU C 592 -2.253 -4.902 -2.142 1.00 0.00 H new ATOM 0 HD21 LEU C 592 -2.714 -6.555 0.400 1.00 0.00 H new ATOM 0 HD22 LEU C 592 -3.761 -6.563 -1.040 1.00 0.00 H new ATOM 0 HD23 LEU C 592 -3.096 -8.090 -0.414 1.00 0.00 H new ATOM 518 N ASN C 593 0.503 -9.200 -4.628 1.00 0.00 N ATOM 519 CA ASN C 593 0.692 -10.365 -5.540 1.00 0.00 C ATOM 520 C ASN C 593 0.659 -11.661 -4.728 1.00 0.00 C ATOM 521 O ASN C 593 1.215 -11.744 -3.650 1.00 0.00 O ATOM 522 CB ASN C 593 2.041 -10.242 -6.251 1.00 0.00 C ATOM 523 CG ASN C 593 2.189 -8.835 -6.830 1.00 0.00 C ATOM 524 OD1 ASN C 593 1.541 -8.493 -7.799 1.00 0.00 O ATOM 525 ND2 ASN C 593 3.020 -7.997 -6.273 1.00 0.00 N ATOM 0 H ASN C 593 1.275 -9.022 -3.986 1.00 0.00 H new ATOM 0 HA ASN C 593 -0.109 -10.381 -6.280 1.00 0.00 H new ATOM 0 HB2 ASN C 593 2.852 -10.446 -5.552 1.00 0.00 H new ATOM 0 HB3 ASN C 593 2.113 -10.983 -7.047 1.00 0.00 H new ATOM 0 HD21 ASN C 593 3.125 -7.056 -6.651 1.00 0.00 H new ATOM 0 HD22 ASN C 593 3.564 -8.283 -5.459 1.00 0.00 H new ATOM 532 N GLY C 594 0.013 -12.675 -5.237 1.00 0.00 N ATOM 533 CA GLY C 594 -0.053 -13.966 -4.495 1.00 0.00 C ATOM 534 C GLY C 594 -1.364 -14.040 -3.711 1.00 0.00 C ATOM 535 O GLY C 594 -1.436 -14.644 -2.660 1.00 0.00 O ATOM 0 H GLY C 594 -0.472 -12.665 -6.134 1.00 0.00 H new ATOM 0 HA2 GLY C 594 0.013 -14.801 -5.192 1.00 0.00 H new ATOM 0 HA3 GLY C 594 0.795 -14.050 -3.815 1.00 0.00 H new ATOM 539 N GLY C 595 -2.403 -13.431 -4.213 1.00 0.00 N ATOM 540 CA GLY C 595 -3.708 -13.468 -3.495 1.00 0.00 C ATOM 541 C GLY C 595 -3.537 -12.877 -2.095 1.00 0.00 C ATOM 542 O GLY C 595 -4.335 -13.114 -1.209 1.00 0.00 O ATOM 0 H GLY C 595 -2.405 -12.909 -5.090 1.00 0.00 H new ATOM 0 HA2 GLY C 595 -4.457 -12.904 -4.051 1.00 0.00 H new ATOM 0 HA3 GLY C 595 -4.068 -14.494 -3.426 1.00 0.00 H new ATOM 546 N GLN C 596 -2.503 -12.110 -1.887 1.00 0.00 N ATOM 547 CA GLN C 596 -2.280 -11.504 -0.545 1.00 0.00 C ATOM 548 C GLN C 596 -3.553 -10.788 -0.089 1.00 0.00 C ATOM 549 O GLN C 596 -4.378 -10.397 -0.889 1.00 0.00 O ATOM 550 CB GLN C 596 -1.130 -10.498 -0.624 1.00 0.00 C ATOM 551 CG GLN C 596 0.081 -11.157 -1.288 1.00 0.00 C ATOM 552 CD GLN C 596 1.208 -11.303 -0.264 1.00 0.00 C ATOM 553 OE1 GLN C 596 1.232 -12.246 0.501 1.00 0.00 O ATOM 554 NE2 GLN C 596 2.150 -10.401 -0.217 1.00 0.00 N ATOM 0 H GLN C 596 -1.802 -11.876 -2.590 1.00 0.00 H new ATOM 0 HA GLN C 596 -2.029 -12.288 0.169 1.00 0.00 H new ATOM 0 HB2 GLN C 596 -1.438 -9.621 -1.194 1.00 0.00 H new ATOM 0 HB3 GLN C 596 -0.866 -10.152 0.375 1.00 0.00 H new ATOM 0 HG2 GLN C 596 -0.195 -12.135 -1.683 1.00 0.00 H new ATOM 0 HG3 GLN C 596 0.418 -10.556 -2.132 1.00 0.00 H new ATOM 0 HE21 GLN C 596 2.130 -9.609 -0.859 1.00 0.00 H new ATOM 0 HE22 GLN C 596 2.906 -10.488 0.462 1.00 0.00 H new ATOM 563 N SER C 597 -3.719 -10.615 1.194 1.00 0.00 N ATOM 564 CA SER C 597 -4.938 -9.924 1.701 1.00 0.00 C ATOM 565 C SER C 597 -4.562 -9.029 2.884 1.00 0.00 C ATOM 566 O SER C 597 -3.594 -9.273 3.576 1.00 0.00 O ATOM 567 CB SER C 597 -5.963 -10.965 2.155 1.00 0.00 C ATOM 568 OG SER C 597 -5.605 -12.235 1.629 1.00 0.00 O ATOM 0 H SER C 597 -3.063 -10.922 1.913 1.00 0.00 H new ATOM 0 HA SER C 597 -5.367 -9.314 0.906 1.00 0.00 H new ATOM 0 HB2 SER C 597 -5.999 -11.006 3.244 1.00 0.00 H new ATOM 0 HB3 SER C 597 -6.959 -10.685 1.813 1.00 0.00 H new ATOM 0 HG SER C 597 -6.259 -12.905 1.919 1.00 0.00 H new ATOM 574 N VAL C 598 -5.319 -7.993 3.120 1.00 0.00 N ATOM 575 CA VAL C 598 -5.004 -7.084 4.257 1.00 0.00 C ATOM 576 C VAL C 598 -5.542 -7.685 5.556 1.00 0.00 C ATOM 577 O VAL C 598 -6.619 -8.249 5.591 1.00 0.00 O ATOM 578 CB VAL C 598 -5.657 -5.721 4.017 1.00 0.00 C ATOM 579 CG1 VAL C 598 -5.319 -4.781 5.174 1.00 0.00 C ATOM 580 CG2 VAL C 598 -5.131 -5.129 2.707 1.00 0.00 C ATOM 0 H VAL C 598 -6.142 -7.737 2.574 1.00 0.00 H new ATOM 0 HA VAL C 598 -3.924 -6.961 4.334 1.00 0.00 H new ATOM 0 HB VAL C 598 -6.738 -5.842 3.954 1.00 0.00 H new ATOM 0 HG11 VAL C 598 -5.784 -3.810 5.002 1.00 0.00 H new ATOM 0 HG12 VAL C 598 -5.693 -5.203 6.107 1.00 0.00 H new ATOM 0 HG13 VAL C 598 -4.238 -4.658 5.239 1.00 0.00 H new ATOM 0 HG21 VAL C 598 -5.595 -4.158 2.534 1.00 0.00 H new ATOM 0 HG22 VAL C 598 -4.050 -5.008 2.771 1.00 0.00 H new ATOM 0 HG23 VAL C 598 -5.373 -5.799 1.882 1.00 0.00 H new ATOM 590 N GLN C 599 -4.804 -7.567 6.625 1.00 0.00 N ATOM 591 CA GLN C 599 -5.275 -8.131 7.921 1.00 0.00 C ATOM 592 C GLN C 599 -5.643 -6.987 8.869 1.00 0.00 C ATOM 593 O GLN C 599 -6.644 -7.033 9.555 1.00 0.00 O ATOM 594 CB GLN C 599 -4.162 -8.973 8.546 1.00 0.00 C ATOM 595 CG GLN C 599 -4.604 -9.457 9.929 1.00 0.00 C ATOM 596 CD GLN C 599 -3.374 -9.831 10.757 1.00 0.00 C ATOM 597 OE1 GLN C 599 -3.209 -10.971 11.142 1.00 0.00 O ATOM 598 NE2 GLN C 599 -2.497 -8.910 11.050 1.00 0.00 N ATOM 0 H GLN C 599 -3.895 -7.105 6.657 1.00 0.00 H new ATOM 0 HA GLN C 599 -6.150 -8.758 7.749 1.00 0.00 H new ATOM 0 HB2 GLN C 599 -3.934 -9.826 7.906 1.00 0.00 H new ATOM 0 HB3 GLN C 599 -3.249 -8.384 8.630 1.00 0.00 H new ATOM 0 HG2 GLN C 599 -5.172 -8.676 10.435 1.00 0.00 H new ATOM 0 HG3 GLN C 599 -5.265 -10.318 9.830 1.00 0.00 H new ATOM 0 HE21 GLN C 599 -2.636 -7.953 10.727 1.00 0.00 H new ATOM 0 HE22 GLN C 599 -1.673 -9.148 11.602 1.00 0.00 H new ATOM 607 N SER C 600 -4.838 -5.959 8.912 1.00 0.00 N ATOM 608 CA SER C 600 -5.140 -4.813 9.815 1.00 0.00 C ATOM 609 C SER C 600 -4.179 -3.662 9.515 1.00 0.00 C ATOM 610 O SER C 600 -3.131 -3.850 8.931 1.00 0.00 O ATOM 611 CB SER C 600 -4.970 -5.253 11.270 1.00 0.00 C ATOM 612 OG SER C 600 -4.338 -6.525 11.305 1.00 0.00 O ATOM 0 H SER C 600 -3.985 -5.864 8.361 1.00 0.00 H new ATOM 0 HA SER C 600 -6.166 -4.482 9.653 1.00 0.00 H new ATOM 0 HB2 SER C 600 -4.373 -4.522 11.816 1.00 0.00 H new ATOM 0 HB3 SER C 600 -5.941 -5.303 11.763 1.00 0.00 H new ATOM 0 HG SER C 600 -4.226 -6.809 12.236 1.00 0.00 H new ATOM 618 N SER C 601 -4.528 -2.467 9.910 1.00 0.00 N ATOM 619 CA SER C 601 -3.635 -1.305 9.645 1.00 0.00 C ATOM 620 C SER C 601 -3.986 -0.164 10.603 1.00 0.00 C ATOM 621 O SER C 601 -5.033 -0.156 11.216 1.00 0.00 O ATOM 622 CB SER C 601 -3.827 -0.834 8.203 1.00 0.00 C ATOM 623 OG SER C 601 -4.188 -1.944 7.393 1.00 0.00 O ATOM 0 H SER C 601 -5.393 -2.247 10.404 1.00 0.00 H new ATOM 0 HA SER C 601 -2.597 -1.602 9.796 1.00 0.00 H new ATOM 0 HB2 SER C 601 -4.602 -0.069 8.158 1.00 0.00 H new ATOM 0 HB3 SER C 601 -2.909 -0.380 7.831 1.00 0.00 H new ATOM 0 HG SER C 601 -4.483 -1.626 6.514 1.00 0.00 H new ATOM 629 N TRP C 602 -3.117 0.801 10.734 1.00 0.00 N ATOM 630 CA TRP C 602 -3.404 1.939 11.651 1.00 0.00 C ATOM 631 C TRP C 602 -2.656 3.185 11.174 1.00 0.00 C ATOM 632 O TRP C 602 -1.826 3.123 10.289 1.00 0.00 O ATOM 633 CB TRP C 602 -2.950 1.580 13.068 1.00 0.00 C ATOM 634 CG TRP C 602 -1.457 1.501 13.111 1.00 0.00 C ATOM 635 CD1 TRP C 602 -0.646 2.431 13.665 1.00 0.00 C ATOM 636 CD2 TRP C 602 -0.585 0.457 12.590 1.00 0.00 C ATOM 637 NE1 TRP C 602 0.664 2.025 13.520 1.00 0.00 N ATOM 638 CE2 TRP C 602 0.756 0.813 12.864 1.00 0.00 C ATOM 639 CE3 TRP C 602 -0.825 -0.754 11.915 1.00 0.00 C ATOM 640 CZ2 TRP C 602 1.822 -0.001 12.481 1.00 0.00 C ATOM 641 CZ3 TRP C 602 0.246 -1.576 11.528 1.00 0.00 C ATOM 642 CH2 TRP C 602 1.567 -1.201 11.811 1.00 0.00 C ATOM 0 H TRP C 602 -2.222 0.850 10.246 1.00 0.00 H new ATOM 0 HA TRP C 602 -4.475 2.140 11.653 1.00 0.00 H new ATOM 0 HB2 TRP C 602 -3.305 2.329 13.775 1.00 0.00 H new ATOM 0 HB3 TRP C 602 -3.384 0.626 13.369 1.00 0.00 H new ATOM 0 HD1 TRP C 602 -0.971 3.343 14.143 1.00 0.00 H new ATOM 0 HE1 TRP C 602 1.468 2.556 13.856 1.00 0.00 H new ATOM 0 HE3 TRP C 602 -1.839 -1.053 11.693 1.00 0.00 H new ATOM 0 HZ2 TRP C 602 2.837 0.294 12.701 1.00 0.00 H new ATOM 0 HZ3 TRP C 602 0.051 -2.503 11.009 1.00 0.00 H new ATOM 0 HH2 TRP C 602 2.386 -1.838 11.512 1.00 0.00 H new ATOM 653 N ASN C 603 -2.946 4.319 11.753 1.00 0.00 N ATOM 654 CA ASN C 603 -2.253 5.570 11.334 1.00 0.00 C ATOM 655 C ASN C 603 -2.836 6.056 10.005 1.00 0.00 C ATOM 656 O ASN C 603 -2.285 6.922 9.355 1.00 0.00 O ATOM 657 CB ASN C 603 -0.757 5.294 11.166 1.00 0.00 C ATOM 658 CG ASN C 603 0.046 6.433 11.794 1.00 0.00 C ATOM 659 OD1 ASN C 603 -0.466 7.518 11.990 1.00 0.00 O ATOM 660 ND2 ASN C 603 1.293 6.233 12.122 1.00 0.00 N ATOM 0 H ASN C 603 -3.633 4.433 12.498 1.00 0.00 H new ATOM 0 HA ASN C 603 -2.397 6.337 12.095 1.00 0.00 H new ATOM 0 HB2 ASN C 603 -0.496 4.347 11.639 1.00 0.00 H new ATOM 0 HB3 ASN C 603 -0.510 5.201 10.108 1.00 0.00 H new ATOM 0 HD21 ASN C 603 1.837 6.987 12.542 1.00 0.00 H new ATOM 0 HD22 ASN C 603 1.724 5.323 11.958 1.00 0.00 H new ATOM 667 N ALA C 604 -3.948 5.509 9.597 1.00 0.00 N ATOM 668 CA ALA C 604 -4.565 5.941 8.311 1.00 0.00 C ATOM 669 C ALA C 604 -5.624 4.922 7.886 1.00 0.00 C ATOM 670 O ALA C 604 -5.777 3.881 8.492 1.00 0.00 O ATOM 671 CB ALA C 604 -3.484 6.034 7.232 1.00 0.00 C ATOM 0 H ALA C 604 -4.456 4.781 10.099 1.00 0.00 H new ATOM 0 HA ALA C 604 -5.032 6.917 8.442 1.00 0.00 H new ATOM 0 HB1 ALA C 604 -3.935 6.350 6.291 1.00 0.00 H new ATOM 0 HB2 ALA C 604 -2.729 6.760 7.535 1.00 0.00 H new ATOM 0 HB3 ALA C 604 -3.016 5.058 7.100 1.00 0.00 H new ATOM 677 N ALA C 605 -6.358 5.214 6.846 1.00 0.00 N ATOM 678 CA ALA C 605 -7.407 4.261 6.382 1.00 0.00 C ATOM 679 C ALA C 605 -7.128 3.865 4.931 1.00 0.00 C ATOM 680 O ALA C 605 -6.739 4.681 4.121 1.00 0.00 O ATOM 681 CB ALA C 605 -8.780 4.931 6.473 1.00 0.00 C ATOM 0 H ALA C 605 -6.277 6.071 6.298 1.00 0.00 H new ATOM 0 HA ALA C 605 -7.395 3.371 7.011 1.00 0.00 H new ATOM 0 HB1 ALA C 605 -9.548 4.235 6.134 1.00 0.00 H new ATOM 0 HB2 ALA C 605 -8.978 5.215 7.506 1.00 0.00 H new ATOM 0 HB3 ALA C 605 -8.793 5.821 5.843 1.00 0.00 H new ATOM 687 N LEU C 606 -7.320 2.618 4.597 1.00 0.00 N ATOM 688 CA LEU C 606 -7.062 2.177 3.196 1.00 0.00 C ATOM 689 C LEU C 606 -8.377 1.750 2.540 1.00 0.00 C ATOM 690 O LEU C 606 -9.363 1.503 3.206 1.00 0.00 O ATOM 691 CB LEU C 606 -6.088 0.996 3.204 1.00 0.00 C ATOM 692 CG LEU C 606 -4.661 1.514 3.413 1.00 0.00 C ATOM 693 CD1 LEU C 606 -4.420 1.772 4.903 1.00 0.00 C ATOM 694 CD2 LEU C 606 -3.657 0.470 2.910 1.00 0.00 C ATOM 0 H LEU C 606 -7.643 1.887 5.231 1.00 0.00 H new ATOM 0 HA LEU C 606 -6.629 3.003 2.631 1.00 0.00 H new ATOM 0 HB2 LEU C 606 -6.353 0.297 3.998 1.00 0.00 H new ATOM 0 HB3 LEU C 606 -6.154 0.450 2.263 1.00 0.00 H new ATOM 0 HG LEU C 606 -4.531 2.443 2.858 1.00 0.00 H new ATOM 0 HD11 LEU C 606 -3.405 2.140 5.049 1.00 0.00 H new ATOM 0 HD12 LEU C 606 -5.131 2.516 5.263 1.00 0.00 H new ATOM 0 HD13 LEU C 606 -4.553 0.844 5.459 1.00 0.00 H new ATOM 0 HD21 LEU C 606 -2.642 0.839 3.059 1.00 0.00 H new ATOM 0 HD22 LEU C 606 -3.790 -0.459 3.464 1.00 0.00 H new ATOM 0 HD23 LEU C 606 -3.824 0.286 1.849 1.00 0.00 H new ATOM 706 N THR C 607 -8.398 1.662 1.238 1.00 0.00 N ATOM 707 CA THR C 607 -9.649 1.253 0.537 1.00 0.00 C ATOM 708 C THR C 607 -9.389 -0.022 -0.267 1.00 0.00 C ATOM 709 O THR C 607 -8.737 0.001 -1.293 1.00 0.00 O ATOM 710 CB THR C 607 -10.091 2.372 -0.410 1.00 0.00 C ATOM 711 OG1 THR C 607 -10.251 3.577 0.325 1.00 0.00 O ATOM 712 CG2 THR C 607 -11.419 1.993 -1.068 1.00 0.00 C ATOM 0 H THR C 607 -7.603 1.856 0.629 1.00 0.00 H new ATOM 0 HA THR C 607 -10.433 1.066 1.271 1.00 0.00 H new ATOM 0 HB THR C 607 -9.334 2.514 -1.182 1.00 0.00 H new ATOM 0 HG1 THR C 607 -10.532 4.295 -0.280 1.00 0.00 H new ATOM 0 HG21 THR C 607 -11.732 2.791 -1.742 1.00 0.00 H new ATOM 0 HG22 THR C 607 -11.295 1.069 -1.633 1.00 0.00 H new ATOM 0 HG23 THR C 607 -12.178 1.849 -0.299 1.00 0.00 H new ATOM 720 N GLY C 608 -9.893 -1.136 0.189 1.00 0.00 N ATOM 721 CA GLY C 608 -9.675 -2.412 -0.550 1.00 0.00 C ATOM 722 C GLY C 608 -9.182 -3.489 0.418 1.00 0.00 C ATOM 723 O GLY C 608 -8.481 -3.207 1.369 1.00 0.00 O ATOM 0 H GLY C 608 -10.447 -1.218 1.042 1.00 0.00 H new ATOM 0 HA2 GLY C 608 -10.603 -2.732 -1.024 1.00 0.00 H new ATOM 0 HA3 GLY C 608 -8.945 -2.263 -1.346 1.00 0.00 H new ATOM 727 N SER C 609 -9.544 -4.721 0.185 1.00 0.00 N ATOM 728 CA SER C 609 -9.096 -5.814 1.094 1.00 0.00 C ATOM 729 C SER C 609 -8.203 -6.789 0.322 1.00 0.00 C ATOM 730 O SER C 609 -7.634 -7.702 0.887 1.00 0.00 O ATOM 731 CB SER C 609 -10.316 -6.559 1.635 1.00 0.00 C ATOM 732 OG SER C 609 -11.250 -6.758 0.582 1.00 0.00 O ATOM 0 H SER C 609 -10.130 -5.018 -0.595 1.00 0.00 H new ATOM 0 HA SER C 609 -8.533 -5.387 1.924 1.00 0.00 H new ATOM 0 HB2 SER C 609 -10.014 -7.519 2.055 1.00 0.00 H new ATOM 0 HB3 SER C 609 -10.776 -5.989 2.442 1.00 0.00 H new ATOM 0 HG SER C 609 -12.033 -7.237 0.925 1.00 0.00 H new ATOM 738 N SER C 610 -8.077 -6.605 -0.964 1.00 0.00 N ATOM 739 CA SER C 610 -7.222 -7.523 -1.767 1.00 0.00 C ATOM 740 C SER C 610 -7.112 -6.997 -3.200 1.00 0.00 C ATOM 741 O SER C 610 -8.103 -6.783 -3.870 1.00 0.00 O ATOM 742 CB SER C 610 -7.847 -8.919 -1.783 1.00 0.00 C ATOM 743 OG SER C 610 -6.984 -9.812 -2.472 1.00 0.00 O ATOM 0 H SER C 610 -8.529 -5.859 -1.493 1.00 0.00 H new ATOM 0 HA SER C 610 -6.228 -7.575 -1.322 1.00 0.00 H new ATOM 0 HB2 SER C 610 -8.011 -9.268 -0.764 1.00 0.00 H new ATOM 0 HB3 SER C 610 -8.821 -8.888 -2.270 1.00 0.00 H new ATOM 0 HG SER C 610 -6.184 -9.978 -1.930 1.00 0.00 H new ATOM 749 N GLY C 611 -5.915 -6.786 -3.674 1.00 0.00 N ATOM 750 CA GLY C 611 -5.744 -6.273 -5.063 1.00 0.00 C ATOM 751 C GLY C 611 -5.165 -4.858 -5.016 1.00 0.00 C ATOM 752 O GLY C 611 -4.127 -4.620 -4.432 1.00 0.00 O ATOM 0 H GLY C 611 -5.049 -6.946 -3.160 1.00 0.00 H new ATOM 0 HA2 GLY C 611 -5.081 -6.930 -5.626 1.00 0.00 H new ATOM 0 HA3 GLY C 611 -6.703 -6.268 -5.581 1.00 0.00 H new ATOM 756 N THR C 612 -5.829 -3.914 -5.626 1.00 0.00 N ATOM 757 CA THR C 612 -5.317 -2.516 -5.615 1.00 0.00 C ATOM 758 C THR C 612 -5.886 -1.776 -4.402 1.00 0.00 C ATOM 759 O THR C 612 -7.050 -1.428 -4.366 1.00 0.00 O ATOM 760 CB THR C 612 -5.750 -1.802 -6.897 1.00 0.00 C ATOM 761 OG1 THR C 612 -5.227 -2.497 -8.021 1.00 0.00 O ATOM 762 CG2 THR C 612 -5.220 -0.368 -6.889 1.00 0.00 C ATOM 0 H THR C 612 -6.704 -4.052 -6.131 1.00 0.00 H new ATOM 0 HA THR C 612 -4.229 -2.528 -5.557 1.00 0.00 H new ATOM 0 HB THR C 612 -6.838 -1.783 -6.954 1.00 0.00 H new ATOM 0 HG1 THR C 612 -5.504 -2.043 -8.844 1.00 0.00 H new ATOM 0 HG21 THR C 612 -5.529 0.139 -7.803 1.00 0.00 H new ATOM 0 HG22 THR C 612 -5.621 0.163 -6.026 1.00 0.00 H new ATOM 0 HG23 THR C 612 -4.132 -0.383 -6.833 1.00 0.00 H new ATOM 770 N VAL C 613 -5.076 -1.532 -3.410 1.00 0.00 N ATOM 771 CA VAL C 613 -5.564 -0.819 -2.204 1.00 0.00 C ATOM 772 C VAL C 613 -5.077 0.635 -2.252 1.00 0.00 C ATOM 773 O VAL C 613 -3.892 0.902 -2.246 1.00 0.00 O ATOM 774 CB VAL C 613 -5.019 -1.540 -0.963 1.00 0.00 C ATOM 775 CG1 VAL C 613 -4.807 -0.551 0.180 1.00 0.00 C ATOM 776 CG2 VAL C 613 -6.017 -2.613 -0.523 1.00 0.00 C ATOM 0 H VAL C 613 -4.092 -1.799 -3.386 1.00 0.00 H new ATOM 0 HA VAL C 613 -6.653 -0.816 -2.165 1.00 0.00 H new ATOM 0 HB VAL C 613 -4.063 -1.999 -1.214 1.00 0.00 H new ATOM 0 HG11 VAL C 613 -4.420 -1.079 1.051 1.00 0.00 H new ATOM 0 HG12 VAL C 613 -4.093 0.213 -0.128 1.00 0.00 H new ATOM 0 HG13 VAL C 613 -5.756 -0.079 0.434 1.00 0.00 H new ATOM 0 HG21 VAL C 613 -5.633 -3.127 0.358 1.00 0.00 H new ATOM 0 HG22 VAL C 613 -6.972 -2.145 -0.283 1.00 0.00 H new ATOM 0 HG23 VAL C 613 -6.158 -3.332 -1.330 1.00 0.00 H new ATOM 786 N THR C 614 -5.981 1.576 -2.300 1.00 0.00 N ATOM 787 CA THR C 614 -5.561 3.004 -2.351 1.00 0.00 C ATOM 788 C THR C 614 -5.439 3.555 -0.929 1.00 0.00 C ATOM 789 O THR C 614 -6.271 3.299 -0.080 1.00 0.00 O ATOM 790 CB THR C 614 -6.600 3.820 -3.127 1.00 0.00 C ATOM 791 OG1 THR C 614 -6.964 3.118 -4.307 1.00 0.00 O ATOM 792 CG2 THR C 614 -6.006 5.181 -3.501 1.00 0.00 C ATOM 0 H THR C 614 -6.989 1.418 -2.306 1.00 0.00 H new ATOM 0 HA THR C 614 -4.596 3.076 -2.852 1.00 0.00 H new ATOM 0 HB THR C 614 -7.484 3.971 -2.507 1.00 0.00 H new ATOM 0 HG1 THR C 614 -7.630 3.637 -4.804 1.00 0.00 H new ATOM 0 HG21 THR C 614 -6.745 5.761 -4.053 1.00 0.00 H new ATOM 0 HG22 THR C 614 -5.727 5.718 -2.594 1.00 0.00 H new ATOM 0 HG23 THR C 614 -5.123 5.034 -4.122 1.00 0.00 H new ATOM 800 N ALA C 615 -4.410 4.315 -0.660 1.00 0.00 N ATOM 801 CA ALA C 615 -4.248 4.881 0.713 1.00 0.00 C ATOM 802 C ALA C 615 -5.165 6.094 0.867 1.00 0.00 C ATOM 803 O ALA C 615 -5.399 6.829 -0.071 1.00 0.00 O ATOM 804 CB ALA C 615 -2.793 5.310 0.935 1.00 0.00 C ATOM 0 H ALA C 615 -3.679 4.567 -1.326 1.00 0.00 H new ATOM 0 HA ALA C 615 -4.511 4.122 1.449 1.00 0.00 H new ATOM 0 HB1 ALA C 615 -2.684 5.721 1.938 1.00 0.00 H new ATOM 0 HB2 ALA C 615 -2.138 4.446 0.824 1.00 0.00 H new ATOM 0 HB3 ALA C 615 -2.521 6.068 0.201 1.00 0.00 H new ATOM 810 N ARG C 616 -5.691 6.306 2.041 1.00 0.00 N ATOM 811 CA ARG C 616 -6.598 7.468 2.251 1.00 0.00 C ATOM 812 C ARG C 616 -6.168 8.230 3.510 1.00 0.00 C ATOM 813 O ARG C 616 -5.742 7.630 4.477 1.00 0.00 O ATOM 814 CB ARG C 616 -8.033 6.965 2.426 1.00 0.00 C ATOM 815 CG ARG C 616 -8.941 7.633 1.393 1.00 0.00 C ATOM 816 CD ARG C 616 -10.325 7.860 2.004 1.00 0.00 C ATOM 817 NE ARG C 616 -11.354 7.843 0.928 1.00 0.00 N ATOM 818 CZ ARG C 616 -11.426 8.830 0.077 1.00 0.00 C ATOM 819 NH1 ARG C 616 -11.484 10.060 0.510 1.00 0.00 N ATOM 820 NH2 ARG C 616 -11.439 8.588 -1.205 1.00 0.00 N ATOM 0 H ARG C 616 -5.532 5.725 2.864 1.00 0.00 H new ATOM 0 HA ARG C 616 -6.546 8.132 1.388 1.00 0.00 H new ATOM 0 HB2 ARG C 616 -8.066 5.882 2.308 1.00 0.00 H new ATOM 0 HB3 ARG C 616 -8.386 7.187 3.433 1.00 0.00 H new ATOM 0 HG2 ARG C 616 -8.511 8.583 1.075 1.00 0.00 H new ATOM 0 HG3 ARG C 616 -9.022 7.007 0.505 1.00 0.00 H new ATOM 0 HD2 ARG C 616 -10.541 7.085 2.740 1.00 0.00 H new ATOM 0 HD3 ARG C 616 -10.350 8.814 2.530 1.00 0.00 H new ATOM 0 HE ARG C 616 -12.003 7.059 0.856 1.00 0.00 H new ATOM 0 HH11 ARG C 616 -11.473 10.249 1.512 1.00 0.00 H new ATOM 0 HH12 ARG C 616 -11.540 10.832 -0.154 1.00 0.00 H new ATOM 0 HH21 ARG C 616 -11.393 7.627 -1.543 1.00 0.00 H new ATOM 0 HH22 ARG C 616 -11.495 9.360 -1.869 1.00 0.00 H new ATOM 834 N PRO C 617 -6.296 9.533 3.460 1.00 0.00 N ATOM 835 CA PRO C 617 -5.929 10.407 4.588 1.00 0.00 C ATOM 836 C PRO C 617 -7.024 10.382 5.658 1.00 0.00 C ATOM 837 O PRO C 617 -8.174 10.108 5.377 1.00 0.00 O ATOM 838 CB PRO C 617 -5.825 11.794 3.948 1.00 0.00 C ATOM 839 CG PRO C 617 -6.674 11.743 2.655 1.00 0.00 C ATOM 840 CD PRO C 617 -6.814 10.256 2.280 1.00 0.00 C ATOM 0 HA PRO C 617 -5.008 10.103 5.086 1.00 0.00 H new ATOM 0 HB2 PRO C 617 -6.195 12.563 4.626 1.00 0.00 H new ATOM 0 HB3 PRO C 617 -4.788 12.041 3.722 1.00 0.00 H new ATOM 0 HG2 PRO C 617 -7.652 12.196 2.816 1.00 0.00 H new ATOM 0 HG3 PRO C 617 -6.192 12.301 1.853 1.00 0.00 H new ATOM 0 HD2 PRO C 617 -7.852 9.993 2.076 1.00 0.00 H new ATOM 0 HD3 PRO C 617 -6.242 10.016 1.384 1.00 0.00 H new ATOM 848 N ASN C 618 -6.675 10.669 6.881 1.00 0.00 N ATOM 849 CA ASN C 618 -7.696 10.664 7.966 1.00 0.00 C ATOM 850 C ASN C 618 -7.360 11.757 8.982 1.00 0.00 C ATOM 851 O ASN C 618 -7.609 11.621 10.162 1.00 0.00 O ATOM 852 CB ASN C 618 -7.695 9.301 8.662 1.00 0.00 C ATOM 853 CG ASN C 618 -6.432 9.160 9.513 1.00 0.00 C ATOM 854 OD1 ASN C 618 -5.339 9.414 9.045 1.00 0.00 O ATOM 855 ND2 ASN C 618 -6.535 8.763 10.751 1.00 0.00 N ATOM 0 H ASN C 618 -5.728 10.907 7.176 1.00 0.00 H new ATOM 0 HA ASN C 618 -8.682 10.852 7.541 1.00 0.00 H new ATOM 0 HB2 ASN C 618 -8.581 9.201 9.289 1.00 0.00 H new ATOM 0 HB3 ASN C 618 -7.737 8.503 7.921 1.00 0.00 H new ATOM 0 HD21 ASN C 618 -5.699 8.666 11.327 1.00 0.00 H new ATOM 0 HD22 ASN C 618 -7.452 8.550 11.144 1.00 0.00 H new ATOM 862 N GLY C 619 -6.793 12.842 8.529 1.00 0.00 N ATOM 863 CA GLY C 619 -6.439 13.945 9.466 1.00 0.00 C ATOM 864 C GLY C 619 -4.918 14.032 9.599 1.00 0.00 C ATOM 865 O GLY C 619 -4.371 13.935 10.679 1.00 0.00 O ATOM 0 H GLY C 619 -6.560 13.012 7.551 1.00 0.00 H new ATOM 0 HA2 GLY C 619 -6.837 14.891 9.099 1.00 0.00 H new ATOM 0 HA3 GLY C 619 -6.891 13.767 10.442 1.00 0.00 H new ATOM 869 N SER C 620 -4.226 14.212 8.506 1.00 0.00 N ATOM 870 CA SER C 620 -2.741 14.305 8.570 1.00 0.00 C ATOM 871 C SER C 620 -2.161 12.941 8.954 1.00 0.00 C ATOM 872 O SER C 620 -2.464 12.399 9.999 1.00 0.00 O ATOM 873 CB SER C 620 -2.341 15.343 9.618 1.00 0.00 C ATOM 874 OG SER C 620 -1.693 16.433 8.975 1.00 0.00 O ATOM 0 H SER C 620 -4.626 14.299 7.572 1.00 0.00 H new ATOM 0 HA SER C 620 -2.352 14.604 7.596 1.00 0.00 H new ATOM 0 HB2 SER C 620 -3.223 15.694 10.154 1.00 0.00 H new ATOM 0 HB3 SER C 620 -1.677 14.894 10.356 1.00 0.00 H new ATOM 0 HG SER C 620 -1.436 17.102 9.644 1.00 0.00 H new ATOM 880 N GLY C 621 -1.329 12.382 8.119 1.00 0.00 N ATOM 881 CA GLY C 621 -0.730 11.055 8.437 1.00 0.00 C ATOM 882 C GLY C 621 -0.072 10.475 7.183 1.00 0.00 C ATOM 883 O GLY C 621 -0.728 9.910 6.331 1.00 0.00 O ATOM 0 H GLY C 621 -1.038 12.787 7.229 1.00 0.00 H new ATOM 0 HA2 GLY C 621 0.008 11.159 9.232 1.00 0.00 H new ATOM 0 HA3 GLY C 621 -1.500 10.376 8.803 1.00 0.00 H new ATOM 887 N ASN C 622 1.221 10.611 7.063 1.00 0.00 N ATOM 888 CA ASN C 622 1.919 10.069 5.863 1.00 0.00 C ATOM 889 C ASN C 622 2.525 8.702 6.194 1.00 0.00 C ATOM 890 O ASN C 622 3.138 8.067 5.360 1.00 0.00 O ATOM 891 CB ASN C 622 3.032 11.033 5.445 1.00 0.00 C ATOM 892 CG ASN C 622 2.444 12.427 5.223 1.00 0.00 C ATOM 893 OD1 ASN C 622 2.447 13.249 6.119 1.00 0.00 O ATOM 894 ND2 ASN C 622 1.934 12.731 4.061 1.00 0.00 N ATOM 0 H ASN C 622 1.823 11.074 7.744 1.00 0.00 H new ATOM 0 HA ASN C 622 1.205 9.959 5.047 1.00 0.00 H new ATOM 0 HB2 ASN C 622 3.803 11.070 6.215 1.00 0.00 H new ATOM 0 HB3 ASN C 622 3.510 10.679 4.532 1.00 0.00 H new ATOM 0 HD21 ASN C 622 1.538 13.658 3.905 1.00 0.00 H new ATOM 0 HD22 ASN C 622 1.931 12.042 3.309 1.00 0.00 H new ATOM 901 N SER C 623 2.360 8.242 7.403 1.00 0.00 N ATOM 902 CA SER C 623 2.929 6.918 7.778 1.00 0.00 C ATOM 903 C SER C 623 1.794 5.962 8.146 1.00 0.00 C ATOM 904 O SER C 623 0.961 6.263 8.976 1.00 0.00 O ATOM 905 CB SER C 623 3.863 7.087 8.977 1.00 0.00 C ATOM 906 OG SER C 623 5.157 7.455 8.516 1.00 0.00 O ATOM 0 H SER C 623 1.856 8.725 8.147 1.00 0.00 H new ATOM 0 HA SER C 623 3.489 6.510 6.936 1.00 0.00 H new ATOM 0 HB2 SER C 623 3.474 7.850 9.651 1.00 0.00 H new ATOM 0 HB3 SER C 623 3.917 6.158 9.544 1.00 0.00 H new ATOM 0 HG SER C 623 5.758 7.566 9.282 1.00 0.00 H new ATOM 912 N PHE C 624 1.754 4.810 7.533 1.00 0.00 N ATOM 913 CA PHE C 624 0.670 3.838 7.850 1.00 0.00 C ATOM 914 C PHE C 624 1.234 2.415 7.820 1.00 0.00 C ATOM 915 O PHE C 624 2.058 2.080 6.993 1.00 0.00 O ATOM 916 CB PHE C 624 -0.452 3.969 6.816 1.00 0.00 C ATOM 917 CG PHE C 624 0.000 3.388 5.498 1.00 0.00 C ATOM 918 CD1 PHE C 624 -0.065 2.006 5.283 1.00 0.00 C ATOM 919 CD2 PHE C 624 0.484 4.231 4.490 1.00 0.00 C ATOM 920 CE1 PHE C 624 0.352 1.466 4.061 1.00 0.00 C ATOM 921 CE2 PHE C 624 0.901 3.691 3.267 1.00 0.00 C ATOM 922 CZ PHE C 624 0.836 2.309 3.053 1.00 0.00 C ATOM 0 H PHE C 624 2.423 4.501 6.828 1.00 0.00 H new ATOM 0 HA PHE C 624 0.273 4.048 8.843 1.00 0.00 H new ATOM 0 HB2 PHE C 624 -1.345 3.450 7.166 1.00 0.00 H new ATOM 0 HB3 PHE C 624 -0.722 5.017 6.689 1.00 0.00 H new ATOM 0 HD1 PHE C 624 -0.437 1.356 6.061 1.00 0.00 H new ATOM 0 HD2 PHE C 624 0.536 5.297 4.656 1.00 0.00 H new ATOM 0 HE1 PHE C 624 0.301 0.400 3.896 1.00 0.00 H new ATOM 0 HE2 PHE C 624 1.273 4.341 2.489 1.00 0.00 H new ATOM 0 HZ PHE C 624 1.159 1.893 2.110 1.00 0.00 H new ATOM 932 N GLY C 625 0.796 1.575 8.719 1.00 0.00 N ATOM 933 CA GLY C 625 1.307 0.176 8.742 1.00 0.00 C ATOM 934 C GLY C 625 0.204 -0.781 8.288 1.00 0.00 C ATOM 935 O GLY C 625 -0.955 -0.604 8.607 1.00 0.00 O ATOM 0 H GLY C 625 0.107 1.798 9.437 1.00 0.00 H new ATOM 0 HA2 GLY C 625 2.174 0.084 8.088 1.00 0.00 H new ATOM 0 HA3 GLY C 625 1.637 -0.085 9.748 1.00 0.00 H new ATOM 939 N VAL C 626 0.554 -1.797 7.547 1.00 0.00 N ATOM 940 CA VAL C 626 -0.475 -2.767 7.074 1.00 0.00 C ATOM 941 C VAL C 626 0.093 -4.186 7.141 1.00 0.00 C ATOM 942 O VAL C 626 1.290 -4.388 7.116 1.00 0.00 O ATOM 943 CB VAL C 626 -0.858 -2.441 5.629 1.00 0.00 C ATOM 944 CG1 VAL C 626 -2.184 -3.123 5.286 1.00 0.00 C ATOM 945 CG2 VAL C 626 -1.009 -0.925 5.472 1.00 0.00 C ATOM 0 H VAL C 626 1.509 -1.998 7.248 1.00 0.00 H new ATOM 0 HA VAL C 626 -1.358 -2.697 7.709 1.00 0.00 H new ATOM 0 HB VAL C 626 -0.080 -2.801 4.956 1.00 0.00 H new ATOM 0 HG11 VAL C 626 -2.457 -2.891 4.257 1.00 0.00 H new ATOM 0 HG12 VAL C 626 -2.078 -4.202 5.399 1.00 0.00 H new ATOM 0 HG13 VAL C 626 -2.963 -2.763 5.958 1.00 0.00 H new ATOM 0 HG21 VAL C 626 -1.282 -0.691 4.443 1.00 0.00 H new ATOM 0 HG22 VAL C 626 -1.788 -0.565 6.145 1.00 0.00 H new ATOM 0 HG23 VAL C 626 -0.065 -0.438 5.717 1.00 0.00 H new ATOM 955 N THR C 627 -0.760 -5.171 7.228 1.00 0.00 N ATOM 956 CA THR C 627 -0.268 -6.576 7.297 1.00 0.00 C ATOM 957 C THR C 627 -0.850 -7.379 6.132 1.00 0.00 C ATOM 958 O THR C 627 -1.996 -7.215 5.764 1.00 0.00 O ATOM 959 CB THR C 627 -0.711 -7.205 8.621 1.00 0.00 C ATOM 960 OG1 THR C 627 -0.107 -6.506 9.701 1.00 0.00 O ATOM 961 CG2 THR C 627 -0.286 -8.673 8.658 1.00 0.00 C ATOM 0 H THR C 627 -1.774 -5.063 7.254 1.00 0.00 H new ATOM 0 HA THR C 627 0.820 -6.584 7.235 1.00 0.00 H new ATOM 0 HB THR C 627 -1.796 -7.142 8.709 1.00 0.00 H new ATOM 0 HG1 THR C 627 0.413 -5.752 9.353 1.00 0.00 H new ATOM 0 HG21 THR C 627 -0.602 -9.120 9.601 1.00 0.00 H new ATOM 0 HG22 THR C 627 -0.751 -9.207 7.830 1.00 0.00 H new ATOM 0 HG23 THR C 627 0.798 -8.740 8.570 1.00 0.00 H new ATOM 969 N PHE C 628 -0.069 -8.247 5.549 1.00 0.00 N ATOM 970 CA PHE C 628 -0.579 -9.059 4.410 1.00 0.00 C ATOM 971 C PHE C 628 -0.224 -10.530 4.632 1.00 0.00 C ATOM 972 O PHE C 628 0.847 -10.856 5.103 1.00 0.00 O ATOM 973 CB PHE C 628 0.060 -8.572 3.107 1.00 0.00 C ATOM 974 CG PHE C 628 -0.015 -7.067 3.039 1.00 0.00 C ATOM 975 CD1 PHE C 628 0.994 -6.288 3.617 1.00 0.00 C ATOM 976 CD2 PHE C 628 -1.094 -6.448 2.396 1.00 0.00 C ATOM 977 CE1 PHE C 628 0.925 -4.891 3.553 1.00 0.00 C ATOM 978 CE2 PHE C 628 -1.164 -5.051 2.331 1.00 0.00 C ATOM 979 CZ PHE C 628 -0.154 -4.273 2.911 1.00 0.00 C ATOM 0 H PHE C 628 0.900 -8.428 5.813 1.00 0.00 H new ATOM 0 HA PHE C 628 -1.662 -8.952 4.346 1.00 0.00 H new ATOM 0 HB2 PHE C 628 1.099 -8.897 3.056 1.00 0.00 H new ATOM 0 HB3 PHE C 628 -0.454 -9.011 2.252 1.00 0.00 H new ATOM 0 HD1 PHE C 628 1.827 -6.765 4.113 1.00 0.00 H new ATOM 0 HD2 PHE C 628 -1.873 -7.049 1.950 1.00 0.00 H new ATOM 0 HE1 PHE C 628 1.704 -4.291 3.999 1.00 0.00 H new ATOM 0 HE2 PHE C 628 -1.996 -4.574 1.834 1.00 0.00 H new ATOM 0 HZ PHE C 628 -0.208 -3.195 2.863 1.00 0.00 H new ATOM 989 N TYR C 629 -1.115 -11.423 4.296 1.00 0.00 N ATOM 990 CA TYR C 629 -0.827 -12.872 4.488 1.00 0.00 C ATOM 991 C TYR C 629 -0.083 -13.410 3.263 1.00 0.00 C ATOM 992 O TYR C 629 -0.547 -13.298 2.145 1.00 0.00 O ATOM 993 CB TYR C 629 -2.142 -13.635 4.662 1.00 0.00 C ATOM 994 CG TYR C 629 -2.761 -13.274 5.990 1.00 0.00 C ATOM 995 CD1 TYR C 629 -2.125 -13.641 7.182 1.00 0.00 C ATOM 996 CD2 TYR C 629 -3.972 -12.572 6.031 1.00 0.00 C ATOM 997 CE1 TYR C 629 -2.699 -13.306 8.415 1.00 0.00 C ATOM 998 CE2 TYR C 629 -4.546 -12.237 7.263 1.00 0.00 C ATOM 999 CZ TYR C 629 -3.909 -12.605 8.455 1.00 0.00 C ATOM 1000 OH TYR C 629 -4.475 -12.274 9.670 1.00 0.00 O ATOM 0 H TYR C 629 -2.030 -11.211 3.897 1.00 0.00 H new ATOM 0 HA TYR C 629 -0.210 -13.006 5.376 1.00 0.00 H new ATOM 0 HB2 TYR C 629 -2.827 -13.390 3.851 1.00 0.00 H new ATOM 0 HB3 TYR C 629 -1.961 -14.709 4.613 1.00 0.00 H new ATOM 0 HD1 TYR C 629 -1.191 -14.183 7.151 1.00 0.00 H new ATOM 0 HD2 TYR C 629 -4.463 -12.289 5.112 1.00 0.00 H new ATOM 0 HE1 TYR C 629 -2.208 -13.589 9.334 1.00 0.00 H new ATOM 0 HE2 TYR C 629 -5.480 -11.695 7.294 1.00 0.00 H new ATOM 0 HH TYR C 629 -3.769 -12.022 10.302 1.00 0.00 H new ATOM 1010 N LYS C 630 1.068 -13.990 3.464 1.00 0.00 N ATOM 1011 CA LYS C 630 1.839 -14.530 2.310 1.00 0.00 C ATOM 1012 C LYS C 630 2.172 -16.002 2.562 1.00 0.00 C ATOM 1013 O LYS C 630 2.213 -16.804 1.650 1.00 0.00 O ATOM 1014 CB LYS C 630 3.136 -13.735 2.146 1.00 0.00 C ATOM 1015 CG LYS C 630 3.680 -13.356 3.524 1.00 0.00 C ATOM 1016 CD LYS C 630 5.205 -13.244 3.459 1.00 0.00 C ATOM 1017 CE LYS C 630 5.592 -11.973 2.702 1.00 0.00 C ATOM 1018 NZ LYS C 630 6.323 -12.340 1.457 1.00 0.00 N ATOM 0 H LYS C 630 1.507 -14.113 4.376 1.00 0.00 H new ATOM 0 HA LYS C 630 1.242 -14.443 1.402 1.00 0.00 H new ATOM 0 HB2 LYS C 630 3.872 -14.328 1.603 1.00 0.00 H new ATOM 0 HB3 LYS C 630 2.952 -12.837 1.556 1.00 0.00 H new ATOM 0 HG2 LYS C 630 3.249 -12.409 3.849 1.00 0.00 H new ATOM 0 HG3 LYS C 630 3.391 -14.107 4.260 1.00 0.00 H new ATOM 0 HD2 LYS C 630 5.622 -13.221 4.466 1.00 0.00 H new ATOM 0 HD3 LYS C 630 5.623 -14.118 2.961 1.00 0.00 H new ATOM 0 HE2 LYS C 630 4.700 -11.397 2.456 1.00 0.00 H new ATOM 0 HE3 LYS C 630 6.217 -11.339 3.330 1.00 0.00 H new ATOM 0 HZ1 LYS C 630 6.844 -11.512 1.104 1.00 0.00 H new ATOM 0 HZ2 LYS C 630 6.992 -13.109 1.661 1.00 0.00 H new ATOM 0 HZ3 LYS C 630 5.643 -12.655 0.735 1.00 0.00 H new ATOM 1032 N ASN C 631 2.412 -16.364 3.792 1.00 0.00 N ATOM 1033 CA ASN C 631 2.743 -17.785 4.099 1.00 0.00 C ATOM 1034 C ASN C 631 4.087 -18.141 3.461 1.00 0.00 C ATOM 1035 O ASN C 631 4.376 -19.293 3.203 1.00 0.00 O ATOM 1036 CB ASN C 631 1.651 -18.695 3.533 1.00 0.00 C ATOM 1037 CG ASN C 631 0.277 -18.151 3.927 1.00 0.00 C ATOM 1038 OD1 ASN C 631 0.141 -17.484 4.933 1.00 0.00 O ATOM 1039 ND2 ASN C 631 -0.755 -18.410 3.172 1.00 0.00 N ATOM 0 H ASN C 631 2.393 -15.738 4.597 1.00 0.00 H new ATOM 0 HA ASN C 631 2.805 -17.922 5.179 1.00 0.00 H new ATOM 0 HB2 ASN C 631 1.735 -18.749 2.448 1.00 0.00 H new ATOM 0 HB3 ASN C 631 1.775 -19.709 3.913 1.00 0.00 H new ATOM 0 HD21 ASN C 631 -1.676 -18.052 3.427 1.00 0.00 H new ATOM 0 HD22 ASN C 631 -0.641 -18.970 2.327 1.00 0.00 H new ATOM 1046 N GLY C 632 4.911 -17.162 3.205 1.00 0.00 N ATOM 1047 CA GLY C 632 6.235 -17.446 2.584 1.00 0.00 C ATOM 1048 C GLY C 632 6.033 -17.917 1.144 1.00 0.00 C ATOM 1049 O GLY C 632 6.770 -18.743 0.641 1.00 0.00 O ATOM 0 H GLY C 632 4.724 -16.178 3.399 1.00 0.00 H new ATOM 0 HA2 GLY C 632 6.856 -16.550 2.601 1.00 0.00 H new ATOM 0 HA3 GLY C 632 6.761 -18.210 3.157 1.00 0.00 H new ATOM 1053 N SER C 633 5.038 -17.402 0.474 1.00 0.00 N ATOM 1054 CA SER C 633 4.791 -17.823 -0.933 1.00 0.00 C ATOM 1055 C SER C 633 4.199 -16.653 -1.722 1.00 0.00 C ATOM 1056 O SER C 633 3.316 -16.825 -2.537 1.00 0.00 O ATOM 1057 CB SER C 633 3.810 -18.996 -0.949 1.00 0.00 C ATOM 1058 OG SER C 633 4.537 -20.216 -0.879 1.00 0.00 O ATOM 0 H SER C 633 4.386 -16.708 0.841 1.00 0.00 H new ATOM 0 HA SER C 633 5.732 -18.129 -1.390 1.00 0.00 H new ATOM 0 HB2 SER C 633 3.121 -18.921 -0.108 1.00 0.00 H new ATOM 0 HB3 SER C 633 3.208 -18.969 -1.857 1.00 0.00 H new ATOM 0 HG SER C 633 5.383 -20.066 -0.407 1.00 0.00 H new ATOM 1064 N SER C 634 4.679 -15.462 -1.485 1.00 0.00 N ATOM 1065 CA SER C 634 4.142 -14.284 -2.223 1.00 0.00 C ATOM 1066 C SER C 634 5.184 -13.164 -2.225 1.00 0.00 C ATOM 1067 O SER C 634 6.097 -13.150 -1.423 1.00 0.00 O ATOM 1068 CB SER C 634 2.868 -13.789 -1.541 1.00 0.00 C ATOM 1069 OG SER C 634 1.839 -14.757 -1.708 1.00 0.00 O ATOM 0 H SER C 634 5.418 -15.255 -0.814 1.00 0.00 H new ATOM 0 HA SER C 634 3.916 -14.574 -3.249 1.00 0.00 H new ATOM 0 HB2 SER C 634 3.053 -13.617 -0.481 1.00 0.00 H new ATOM 0 HB3 SER C 634 2.559 -12.836 -1.970 1.00 0.00 H new ATOM 0 HG SER C 634 2.148 -15.461 -2.316 1.00 0.00 H new ATOM 1075 N ALA C 635 5.054 -12.224 -3.120 1.00 0.00 N ATOM 1076 CA ALA C 635 6.034 -11.105 -3.174 1.00 0.00 C ATOM 1077 C ALA C 635 5.554 -9.958 -2.280 1.00 0.00 C ATOM 1078 O ALA C 635 4.415 -9.924 -1.857 1.00 0.00 O ATOM 1079 CB ALA C 635 6.159 -10.607 -4.615 1.00 0.00 C ATOM 0 H ALA C 635 4.310 -12.183 -3.817 1.00 0.00 H new ATOM 0 HA ALA C 635 7.004 -11.457 -2.823 1.00 0.00 H new ATOM 0 HB1 ALA C 635 6.876 -9.787 -4.656 1.00 0.00 H new ATOM 0 HB2 ALA C 635 6.502 -11.422 -5.253 1.00 0.00 H new ATOM 0 HB3 ALA C 635 5.188 -10.257 -4.964 1.00 0.00 H new ATOM 1085 N THR C 636 6.412 -9.019 -1.994 1.00 0.00 N ATOM 1086 CA THR C 636 6.007 -7.874 -1.133 1.00 0.00 C ATOM 1087 C THR C 636 5.145 -6.907 -1.953 1.00 0.00 C ATOM 1088 O THR C 636 5.409 -6.686 -3.118 1.00 0.00 O ATOM 1089 CB THR C 636 7.263 -7.149 -0.640 1.00 0.00 C ATOM 1090 OG1 THR C 636 8.269 -8.104 -0.335 1.00 0.00 O ATOM 1091 CG2 THR C 636 6.932 -6.336 0.612 1.00 0.00 C ATOM 0 H THR C 636 7.378 -8.995 -2.320 1.00 0.00 H new ATOM 0 HA THR C 636 5.435 -8.236 -0.279 1.00 0.00 H new ATOM 0 HB THR C 636 7.622 -6.477 -1.419 1.00 0.00 H new ATOM 0 HG1 THR C 636 9.074 -7.642 -0.021 1.00 0.00 H new ATOM 0 HG21 THR C 636 7.828 -5.822 0.959 1.00 0.00 H new ATOM 0 HG22 THR C 636 6.161 -5.602 0.376 1.00 0.00 H new ATOM 0 HG23 THR C 636 6.570 -7.003 1.394 1.00 0.00 H new ATOM 1099 N PRO C 637 4.137 -6.358 -1.323 1.00 0.00 N ATOM 1100 CA PRO C 637 3.219 -5.409 -1.977 1.00 0.00 C ATOM 1101 C PRO C 637 3.872 -4.029 -2.092 1.00 0.00 C ATOM 1102 O PRO C 637 3.866 -3.249 -1.160 1.00 0.00 O ATOM 1103 CB PRO C 637 2.011 -5.368 -1.037 1.00 0.00 C ATOM 1104 CG PRO C 637 2.522 -5.831 0.348 1.00 0.00 C ATOM 1105 CD PRO C 637 3.817 -6.627 0.095 1.00 0.00 C ATOM 0 HA PRO C 637 2.950 -5.702 -2.992 1.00 0.00 H new ATOM 0 HB2 PRO C 637 1.596 -4.362 -0.982 1.00 0.00 H new ATOM 0 HB3 PRO C 637 1.216 -6.022 -1.397 1.00 0.00 H new ATOM 0 HG2 PRO C 637 2.713 -4.976 0.996 1.00 0.00 H new ATOM 0 HG3 PRO C 637 1.778 -6.450 0.848 1.00 0.00 H new ATOM 0 HD2 PRO C 637 4.621 -6.299 0.754 1.00 0.00 H new ATOM 0 HD3 PRO C 637 3.671 -7.692 0.275 1.00 0.00 H new ATOM 1113 N GLY C 638 4.438 -3.723 -3.227 1.00 0.00 N ATOM 1114 CA GLY C 638 5.093 -2.396 -3.400 1.00 0.00 C ATOM 1115 C GLY C 638 4.027 -1.303 -3.484 1.00 0.00 C ATOM 1116 O GLY C 638 2.910 -1.540 -3.905 1.00 0.00 O ATOM 0 H GLY C 638 4.475 -4.335 -4.042 1.00 0.00 H new ATOM 0 HA2 GLY C 638 5.764 -2.199 -2.564 1.00 0.00 H new ATOM 0 HA3 GLY C 638 5.701 -2.395 -4.305 1.00 0.00 H new ATOM 1120 N ALA C 639 4.363 -0.105 -3.088 1.00 0.00 N ATOM 1121 CA ALA C 639 3.372 1.006 -3.145 1.00 0.00 C ATOM 1122 C ALA C 639 3.654 1.881 -4.367 1.00 0.00 C ATOM 1123 O ALA C 639 4.781 2.244 -4.640 1.00 0.00 O ATOM 1124 CB ALA C 639 3.479 1.853 -1.878 1.00 0.00 C ATOM 0 H ALA C 639 5.282 0.152 -2.727 1.00 0.00 H new ATOM 0 HA ALA C 639 2.367 0.590 -3.220 1.00 0.00 H new ATOM 0 HB1 ALA C 639 2.754 2.665 -1.921 1.00 0.00 H new ATOM 0 HB2 ALA C 639 3.276 1.231 -1.006 1.00 0.00 H new ATOM 0 HB3 ALA C 639 4.484 2.268 -1.801 1.00 0.00 H new ATOM 1130 N THR C 640 2.637 2.207 -5.113 1.00 0.00 N ATOM 1131 CA THR C 640 2.835 3.043 -6.333 1.00 0.00 C ATOM 1132 C THR C 640 2.484 4.508 -6.063 1.00 0.00 C ATOM 1133 O THR C 640 1.568 4.823 -5.337 1.00 0.00 O ATOM 1134 CB THR C 640 1.914 2.546 -7.426 1.00 0.00 C ATOM 1135 OG1 THR C 640 1.685 1.153 -7.264 1.00 0.00 O ATOM 1136 CG2 THR C 640 2.537 2.815 -8.796 1.00 0.00 C ATOM 0 H THR C 640 1.672 1.930 -4.931 1.00 0.00 H new ATOM 0 HA THR C 640 3.882 2.969 -6.626 1.00 0.00 H new ATOM 0 HB THR C 640 0.963 3.075 -7.360 1.00 0.00 H new ATOM 0 HG1 THR C 640 0.969 1.013 -6.610 1.00 0.00 H new ATOM 0 HG21 THR C 640 1.868 2.454 -9.577 1.00 0.00 H new ATOM 0 HG22 THR C 640 2.695 3.886 -8.920 1.00 0.00 H new ATOM 0 HG23 THR C 640 3.493 2.296 -8.869 1.00 0.00 H new ATOM 1144 N CYS C 641 3.181 5.407 -6.685 1.00 0.00 N ATOM 1145 CA CYS C 641 2.874 6.854 -6.487 1.00 0.00 C ATOM 1146 C CYS C 641 2.472 7.473 -7.828 1.00 0.00 C ATOM 1147 O CYS C 641 3.305 7.923 -8.588 1.00 0.00 O ATOM 1148 CB CYS C 641 4.106 7.589 -5.938 1.00 0.00 C ATOM 1149 SG CYS C 641 5.114 6.466 -4.939 1.00 0.00 S ATOM 0 H CYS C 641 3.951 5.209 -7.323 1.00 0.00 H new ATOM 0 HA CYS C 641 2.056 6.949 -5.772 1.00 0.00 H new ATOM 0 HB2 CYS C 641 4.699 7.985 -6.762 1.00 0.00 H new ATOM 0 HB3 CYS C 641 3.791 8.440 -5.334 1.00 0.00 H new ATOM 1154 N ALA C 642 1.201 7.498 -8.124 1.00 0.00 N ATOM 1155 CA ALA C 642 0.749 8.087 -9.416 1.00 0.00 C ATOM 1156 C ALA C 642 0.061 9.427 -9.156 1.00 0.00 C ATOM 1157 O ALA C 642 -0.418 9.689 -8.071 1.00 0.00 O ATOM 1158 CB ALA C 642 -0.244 7.141 -10.090 1.00 0.00 C ATOM 0 H ALA C 642 0.457 7.136 -7.527 1.00 0.00 H new ATOM 0 HA ALA C 642 1.613 8.236 -10.063 1.00 0.00 H new ATOM 0 HB1 ALA C 642 -0.574 7.573 -11.035 1.00 0.00 H new ATOM 0 HB2 ALA C 642 0.238 6.182 -10.278 1.00 0.00 H new ATOM 0 HB3 ALA C 642 -1.105 6.993 -9.438 1.00 0.00 H new ATOM 1164 N THR C 643 0.000 10.273 -10.146 1.00 0.00 N ATOM 1165 CA THR C 643 -0.669 11.588 -9.955 1.00 0.00 C ATOM 1166 C THR C 643 -1.912 11.656 -10.839 1.00 0.00 C ATOM 1167 O THR C 643 -1.827 11.810 -12.042 1.00 0.00 O ATOM 1168 CB THR C 643 0.285 12.717 -10.338 1.00 0.00 C ATOM 1169 OG1 THR C 643 0.549 12.661 -11.733 1.00 0.00 O ATOM 1170 CG2 THR C 643 1.594 12.570 -9.560 1.00 0.00 C ATOM 0 H THR C 643 0.384 10.111 -11.077 1.00 0.00 H new ATOM 0 HA THR C 643 -0.953 11.697 -8.908 1.00 0.00 H new ATOM 0 HB THR C 643 -0.172 13.676 -10.094 1.00 0.00 H new ATOM 0 HG1 THR C 643 -0.196 12.218 -12.189 1.00 0.00 H new ATOM 0 HG21 THR C 643 2.273 13.377 -9.835 1.00 0.00 H new ATOM 0 HG22 THR C 643 1.389 12.617 -8.491 1.00 0.00 H new ATOM 0 HG23 THR C 643 2.054 11.611 -9.799 1.00 0.00 H new ATOM 1178 N GLY C 644 -3.066 11.544 -10.250 1.00 0.00 N ATOM 1179 CA GLY C 644 -4.324 11.601 -11.047 1.00 0.00 C ATOM 1180 C GLY C 644 -4.471 10.315 -11.862 1.00 0.00 C ATOM 1181 O GLY C 644 -3.714 9.390 -11.616 1.00 0.00 O ATOM 1182 OXT GLY C 644 -5.339 10.277 -12.719 1.00 0.00 O ATOM 0 H GLY C 644 -3.195 11.415 -9.247 1.00 0.00 H new ATOM 0 HA2 GLY C 644 -5.181 11.724 -10.385 1.00 0.00 H new ATOM 0 HA3 GLY C 644 -4.307 12.465 -11.711 1.00 0.00 H new TER 1186 GLY C 644