USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 845 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: A 591 GLN : amide:sc= -0.794 X(o=-0.79,f=-0.77) USER MOD Set 1.2: A 624 MET CE :methyl 176:sc= 0 (180deg=0) USER MOD Set 2.1: A 547 HIS : no HD1:sc= -3.67 K(o=-3.8,f=-1.6) USER MOD Set 2.2: A 587 GLN : amide:sc= -0.171 X(o=-3.8,f=-4.3!) USER MOD Single : A 530 SER OG : rot 180:sc= 0 USER MOD Single : A 531 SER OG : rot 180:sc= 0 USER MOD Single : A 533 SER OG : rot -129:sc= -0.928 USER MOD Single : A 534 SER OG : rot -57:sc= 0.532 USER MOD Single : A 540 ASN : amide:sc= -1.95 K(o=-1.9,f=-0.021!) USER MOD Single : A 541 SER OG : rot 180:sc= 0 USER MOD Single : A 543 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 545 CYS SG : rot -123:sc= -2.49 USER MOD Single : A 549 THR OG1 : rot 180:sc= 0 USER MOD Single : A 550 ASN : amide:sc= -0.68 K(o=-0.68,f=-1.4) USER MOD Single : A 554 SER OG : rot 180:sc= 0 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 557 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 558 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 562 GLN : amide:sc= -1.22 K(o=-1.2,f=-2.7!) USER MOD Single : A 572 ASN : amide:sc= -0.215 X(o=-0.22,f=-0.32) USER MOD Single : A 575 HIS : no HD1:sc= -1.18 K(o=-1.2,f=-0.17) USER MOD Single : A 580 ASN : amide:sc= -0.0428 K(o=-0.043,f=-0.87) USER MOD Single : A 581 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 583 GLN : amide:sc= -0.16 K(o=-0.16,f=-1.8!) USER MOD Single : A 593 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 594 ASN : amide:sc= -0.0258 X(o=-0.026,f=-0.026) USER MOD Single : A 600 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 601 SER OG : rot -58:sc= -1.3 USER MOD Single : A 605 HIS : no HD1:sc= -0.647 K(o=-0.65,f=-4.5!) USER MOD Single : A 607 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 608 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 610 ASN : amide:sc= -0.144 K(o=-0.14,f=-1.9!) USER MOD Single : A 617 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 620 THR OG1 : rot -78:sc= 0.78 USER MOD Single : A 629 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 630 ASN : amide:sc= -0.216 X(o=-0.22,f=-0.42) USER MOD Single : A 634 GLN : amide:sc= -0.175 K(o=-0.18,f=-1.7!) USER MOD Single : A 636 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 637 SER OG : rot 180:sc= 0 USER MOD Single : A 640 SER OG : rot 180:sc= 0 USER MOD Single : A 641 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 529 -0.464 9.456 -14.433 1.00 0.00 N ATOM 2 CA GLY A 529 0.036 9.995 -15.685 1.00 0.00 C ATOM 3 C GLY A 529 -0.837 11.110 -16.225 1.00 0.00 C ATOM 4 O GLY A 529 -1.244 11.082 -17.386 1.00 0.00 O ATOM 0 HA2 GLY A 529 1.049 10.370 -15.537 1.00 0.00 H new ATOM 0 HA3 GLY A 529 0.097 9.195 -16.423 1.00 0.00 H new ATOM 8 N SER A 530 -1.126 12.096 -15.380 1.00 0.00 N ATOM 9 CA SER A 530 -1.961 13.222 -15.778 1.00 0.00 C ATOM 10 C SER A 530 -1.460 14.519 -15.149 1.00 0.00 C ATOM 11 O SER A 530 -1.594 14.730 -13.944 1.00 0.00 O ATOM 12 CB SER A 530 -3.416 12.975 -15.372 1.00 0.00 C ATOM 13 OG SER A 530 -4.286 13.890 -16.015 1.00 0.00 O ATOM 0 H SER A 530 -0.794 12.137 -14.416 1.00 0.00 H new ATOM 0 HA SER A 530 -1.905 13.318 -16.862 1.00 0.00 H new ATOM 0 HB2 SER A 530 -3.701 11.955 -15.630 1.00 0.00 H new ATOM 0 HB3 SER A 530 -3.517 13.071 -14.291 1.00 0.00 H new ATOM 0 HG SER A 530 -5.210 13.711 -15.741 1.00 0.00 H new ATOM 19 N SER A 531 -0.881 15.385 -15.975 1.00 0.00 N ATOM 20 CA SER A 531 -0.355 16.659 -15.500 1.00 0.00 C ATOM 21 C SER A 531 -1.236 17.233 -14.395 1.00 0.00 C ATOM 22 O SER A 531 -2.336 17.720 -14.653 1.00 0.00 O ATOM 23 CB SER A 531 -0.254 17.656 -16.657 1.00 0.00 C ATOM 24 OG SER A 531 0.997 17.549 -17.315 1.00 0.00 O ATOM 0 H SER A 531 -0.764 15.227 -16.976 1.00 0.00 H new ATOM 0 HA SER A 531 0.641 16.484 -15.092 1.00 0.00 H new ATOM 0 HB2 SER A 531 -1.059 17.475 -17.369 1.00 0.00 H new ATOM 0 HB3 SER A 531 -0.384 18.670 -16.280 1.00 0.00 H new ATOM 0 HG SER A 531 1.036 18.195 -18.051 1.00 0.00 H new ATOM 30 N GLY A 532 -0.744 17.172 -13.162 1.00 0.00 N ATOM 31 CA GLY A 532 -1.498 17.689 -12.035 1.00 0.00 C ATOM 32 C GLY A 532 -0.616 18.014 -10.846 1.00 0.00 C ATOM 33 O GLY A 532 -0.172 17.116 -10.130 1.00 0.00 O ATOM 0 H GLY A 532 0.164 16.773 -12.923 1.00 0.00 H new ATOM 0 HA2 GLY A 532 -2.034 18.587 -12.342 1.00 0.00 H new ATOM 0 HA3 GLY A 532 -2.248 16.956 -11.737 1.00 0.00 H new ATOM 37 N SER A 533 -0.359 19.301 -10.637 1.00 0.00 N ATOM 38 CA SER A 533 0.481 19.743 -9.529 1.00 0.00 C ATOM 39 C SER A 533 -0.110 20.979 -8.859 1.00 0.00 C ATOM 40 O SER A 533 -0.518 21.927 -9.529 1.00 0.00 O ATOM 41 CB SER A 533 1.897 20.044 -10.024 1.00 0.00 C ATOM 42 OG SER A 533 1.899 21.132 -10.932 1.00 0.00 O ATOM 0 H SER A 533 -0.720 20.056 -11.220 1.00 0.00 H new ATOM 0 HA SER A 533 0.524 18.939 -8.794 1.00 0.00 H new ATOM 0 HB2 SER A 533 2.541 20.273 -9.175 1.00 0.00 H new ATOM 0 HB3 SER A 533 2.312 19.160 -10.509 1.00 0.00 H new ATOM 0 HG SER A 533 2.383 20.878 -11.745 1.00 0.00 H new ATOM 48 N SER A 534 -0.152 20.960 -7.530 1.00 0.00 N ATOM 49 CA SER A 534 -0.695 22.078 -6.767 1.00 0.00 C ATOM 50 C SER A 534 0.424 22.928 -6.176 1.00 0.00 C ATOM 51 O SER A 534 0.354 23.354 -5.024 1.00 0.00 O ATOM 52 CB SER A 534 -1.607 21.565 -5.650 1.00 0.00 C ATOM 53 OG SER A 534 -2.264 22.636 -4.995 1.00 0.00 O ATOM 0 H SER A 534 0.183 20.183 -6.960 1.00 0.00 H new ATOM 0 HA SER A 534 -1.278 22.700 -7.446 1.00 0.00 H new ATOM 0 HB2 SER A 534 -2.346 20.881 -6.066 1.00 0.00 H new ATOM 0 HB3 SER A 534 -1.019 20.999 -4.928 1.00 0.00 H new ATOM 0 HG SER A 534 -1.598 23.262 -4.643 1.00 0.00 H new ATOM 59 N GLY A 535 1.460 23.170 -6.974 1.00 0.00 N ATOM 60 CA GLY A 535 2.581 23.968 -6.513 1.00 0.00 C ATOM 61 C GLY A 535 3.916 23.304 -6.786 1.00 0.00 C ATOM 62 O GLY A 535 4.533 22.745 -5.880 1.00 0.00 O ATOM 0 H GLY A 535 1.543 22.828 -7.931 1.00 0.00 H new ATOM 0 HA2 GLY A 535 2.556 24.941 -7.003 1.00 0.00 H new ATOM 0 HA3 GLY A 535 2.480 24.147 -5.443 1.00 0.00 H new ATOM 66 N GLU A 536 4.361 23.364 -8.037 1.00 0.00 N ATOM 67 CA GLU A 536 5.630 22.761 -8.426 1.00 0.00 C ATOM 68 C GLU A 536 6.799 23.471 -7.750 1.00 0.00 C ATOM 69 O GLU A 536 7.188 24.568 -8.149 1.00 0.00 O ATOM 70 CB GLU A 536 5.798 22.810 -9.946 1.00 0.00 C ATOM 71 CG GLU A 536 4.843 21.895 -10.694 1.00 0.00 C ATOM 72 CD GLU A 536 5.089 21.894 -12.190 1.00 0.00 C ATOM 73 OE1 GLU A 536 6.270 21.888 -12.597 1.00 0.00 O ATOM 74 OE2 GLU A 536 4.100 21.898 -12.954 1.00 0.00 O ATOM 0 H GLU A 536 3.862 23.824 -8.798 1.00 0.00 H new ATOM 0 HA GLU A 536 5.624 21.720 -8.102 1.00 0.00 H new ATOM 0 HB2 GLU A 536 5.648 23.834 -10.287 1.00 0.00 H new ATOM 0 HB3 GLU A 536 6.822 22.537 -10.199 1.00 0.00 H new ATOM 0 HG2 GLU A 536 4.945 20.879 -10.312 1.00 0.00 H new ATOM 0 HG3 GLU A 536 3.817 22.208 -10.498 1.00 0.00 H new ATOM 81 N GLY A 537 7.356 22.837 -6.722 1.00 0.00 N ATOM 82 CA GLY A 537 8.475 23.422 -6.007 1.00 0.00 C ATOM 83 C GLY A 537 8.744 22.731 -4.685 1.00 0.00 C ATOM 84 O GLY A 537 9.356 21.664 -4.649 1.00 0.00 O ATOM 0 H GLY A 537 7.052 21.929 -6.372 1.00 0.00 H new ATOM 0 HA2 GLY A 537 9.368 23.368 -6.630 1.00 0.00 H new ATOM 0 HA3 GLY A 537 8.275 24.478 -5.827 1.00 0.00 H new ATOM 88 N ASP A 538 8.284 23.340 -3.597 1.00 0.00 N ATOM 89 CA ASP A 538 8.479 22.776 -2.267 1.00 0.00 C ATOM 90 C ASP A 538 7.974 21.339 -2.206 1.00 0.00 C ATOM 91 O ASP A 538 7.350 20.849 -3.148 1.00 0.00 O ATOM 92 CB ASP A 538 7.760 23.628 -1.219 1.00 0.00 C ATOM 93 CG ASP A 538 8.282 23.384 0.183 1.00 0.00 C ATOM 94 OD1 ASP A 538 9.511 23.228 0.340 1.00 0.00 O ATOM 95 OD2 ASP A 538 7.461 23.348 1.123 1.00 0.00 O ATOM 0 H ASP A 538 7.774 24.223 -3.610 1.00 0.00 H new ATOM 0 HA ASP A 538 9.548 22.775 -2.053 1.00 0.00 H new ATOM 0 HB2 ASP A 538 7.878 24.682 -1.469 1.00 0.00 H new ATOM 0 HB3 ASP A 538 6.692 23.411 -1.249 1.00 0.00 H new ATOM 100 N VAL A 539 8.248 20.667 -1.092 1.00 0.00 N ATOM 101 CA VAL A 539 7.823 19.285 -0.909 1.00 0.00 C ATOM 102 C VAL A 539 6.907 19.149 0.302 1.00 0.00 C ATOM 103 O VAL A 539 7.354 18.806 1.396 1.00 0.00 O ATOM 104 CB VAL A 539 9.029 18.343 -0.735 1.00 0.00 C ATOM 105 CG1 VAL A 539 8.562 16.917 -0.486 1.00 0.00 C ATOM 106 CG2 VAL A 539 9.937 18.411 -1.954 1.00 0.00 C ATOM 0 H VAL A 539 8.763 21.058 -0.303 1.00 0.00 H new ATOM 0 HA VAL A 539 7.278 19.000 -1.809 1.00 0.00 H new ATOM 0 HB VAL A 539 9.600 18.669 0.134 1.00 0.00 H new ATOM 0 HG11 VAL A 539 9.428 16.266 -0.366 1.00 0.00 H new ATOM 0 HG12 VAL A 539 7.956 16.886 0.419 1.00 0.00 H new ATOM 0 HG13 VAL A 539 7.967 16.576 -1.333 1.00 0.00 H new ATOM 0 HG21 VAL A 539 10.784 17.739 -1.815 1.00 0.00 H new ATOM 0 HG22 VAL A 539 9.379 18.111 -2.841 1.00 0.00 H new ATOM 0 HG23 VAL A 539 10.300 19.431 -2.081 1.00 0.00 H new ATOM 116 N ASN A 540 5.621 19.419 0.099 1.00 0.00 N ATOM 117 CA ASN A 540 4.641 19.326 1.175 1.00 0.00 C ATOM 118 C ASN A 540 3.748 18.102 0.995 1.00 0.00 C ATOM 119 O ASN A 540 3.594 17.294 1.910 1.00 0.00 O ATOM 120 CB ASN A 540 3.785 20.593 1.223 1.00 0.00 C ATOM 121 CG ASN A 540 4.580 21.842 0.898 1.00 0.00 C ATOM 122 OD1 ASN A 540 5.366 22.321 1.715 1.00 0.00 O ATOM 123 ND2 ASN A 540 4.380 22.376 -0.302 1.00 0.00 N ATOM 0 H ASN A 540 5.234 19.704 -0.801 1.00 0.00 H new ATOM 0 HA ASN A 540 5.181 19.224 2.116 1.00 0.00 H new ATOM 0 HB2 ASN A 540 2.960 20.497 0.517 1.00 0.00 H new ATOM 0 HB3 ASN A 540 3.346 20.694 2.215 1.00 0.00 H new ATOM 0 HD21 ASN A 540 4.888 23.217 -0.577 1.00 0.00 H new ATOM 0 HD22 ASN A 540 3.718 21.945 -0.948 1.00 0.00 H new ATOM 130 N SER A 541 3.165 17.971 -0.193 1.00 0.00 N ATOM 131 CA SER A 541 2.286 16.848 -0.493 1.00 0.00 C ATOM 132 C SER A 541 2.909 15.937 -1.546 1.00 0.00 C ATOM 133 O SER A 541 2.543 15.988 -2.720 1.00 0.00 O ATOM 134 CB SER A 541 0.925 17.353 -0.978 1.00 0.00 C ATOM 135 OG SER A 541 0.238 18.037 0.056 1.00 0.00 O ATOM 0 H SER A 541 3.286 18.629 -0.963 1.00 0.00 H new ATOM 0 HA SER A 541 2.146 16.273 0.422 1.00 0.00 H new ATOM 0 HB2 SER A 541 1.063 18.019 -1.830 1.00 0.00 H new ATOM 0 HB3 SER A 541 0.324 16.512 -1.324 1.00 0.00 H new ATOM 0 HG SER A 541 -0.628 18.351 -0.279 1.00 0.00 H new ATOM 141 N ALA A 542 3.851 15.105 -1.117 1.00 0.00 N ATOM 142 CA ALA A 542 4.524 14.181 -2.022 1.00 0.00 C ATOM 143 C ALA A 542 3.951 12.773 -1.896 1.00 0.00 C ATOM 144 O ALA A 542 3.588 12.335 -0.804 1.00 0.00 O ATOM 145 CB ALA A 542 6.020 14.171 -1.749 1.00 0.00 C ATOM 0 H ALA A 542 4.166 15.051 -0.148 1.00 0.00 H new ATOM 0 HA ALA A 542 4.355 14.523 -3.043 1.00 0.00 H new ATOM 0 HB1 ALA A 542 6.510 13.477 -2.432 1.00 0.00 H new ATOM 0 HB2 ALA A 542 6.424 15.172 -1.898 1.00 0.00 H new ATOM 0 HB3 ALA A 542 6.200 13.857 -0.721 1.00 0.00 H new ATOM 151 N LYS A 543 3.872 12.069 -3.020 1.00 0.00 N ATOM 152 CA LYS A 543 3.343 10.710 -3.036 1.00 0.00 C ATOM 153 C LYS A 543 4.451 9.693 -2.778 1.00 0.00 C ATOM 154 O LYS A 543 5.071 9.187 -3.713 1.00 0.00 O ATOM 155 CB LYS A 543 2.670 10.419 -4.378 1.00 0.00 C ATOM 156 CG LYS A 543 1.251 10.953 -4.477 1.00 0.00 C ATOM 157 CD LYS A 543 0.845 11.194 -5.921 1.00 0.00 C ATOM 158 CE LYS A 543 -0.484 11.929 -6.011 1.00 0.00 C ATOM 159 NZ LYS A 543 -1.174 11.671 -7.304 1.00 0.00 N ATOM 0 H LYS A 543 4.168 12.417 -3.932 1.00 0.00 H new ATOM 0 HA LYS A 543 2.603 10.624 -2.240 1.00 0.00 H new ATOM 0 HB2 LYS A 543 3.270 10.855 -5.177 1.00 0.00 H new ATOM 0 HB3 LYS A 543 2.656 9.341 -4.541 1.00 0.00 H new ATOM 0 HG2 LYS A 543 0.562 10.244 -4.018 1.00 0.00 H new ATOM 0 HG3 LYS A 543 1.172 11.884 -3.916 1.00 0.00 H new ATOM 0 HD2 LYS A 543 1.618 11.774 -6.425 1.00 0.00 H new ATOM 0 HD3 LYS A 543 0.771 10.240 -6.443 1.00 0.00 H new ATOM 0 HE2 LYS A 543 -1.127 11.618 -5.188 1.00 0.00 H new ATOM 0 HE3 LYS A 543 -0.315 13.000 -5.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 543 -2.075 12.189 -7.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 543 -0.571 11.991 -8.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 543 -1.358 10.652 -7.402 1.00 0.00 H new ATOM 173 N VAL A 544 4.691 9.397 -1.505 1.00 0.00 N ATOM 174 CA VAL A 544 5.722 8.437 -1.125 1.00 0.00 C ATOM 175 C VAL A 544 5.122 7.255 -0.375 1.00 0.00 C ATOM 176 O VAL A 544 5.754 6.687 0.517 1.00 0.00 O ATOM 177 CB VAL A 544 6.803 9.094 -0.247 1.00 0.00 C ATOM 178 CG1 VAL A 544 7.448 10.262 -0.977 1.00 0.00 C ATOM 179 CG2 VAL A 544 6.210 9.546 1.079 1.00 0.00 C ATOM 0 H VAL A 544 4.186 9.807 -0.719 1.00 0.00 H new ATOM 0 HA VAL A 544 6.181 8.082 -2.048 1.00 0.00 H new ATOM 0 HB VAL A 544 7.577 8.354 -0.040 1.00 0.00 H new ATOM 0 HG11 VAL A 544 8.209 10.713 -0.340 1.00 0.00 H new ATOM 0 HG12 VAL A 544 7.910 9.905 -1.898 1.00 0.00 H new ATOM 0 HG13 VAL A 544 6.688 11.006 -1.217 1.00 0.00 H new ATOM 0 HG21 VAL A 544 6.988 10.008 1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 544 5.416 10.270 0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 544 5.801 8.685 1.607 1.00 0.00 H new ATOM 189 N CYS A 545 3.899 6.888 -0.741 1.00 0.00 N ATOM 190 CA CYS A 545 3.212 5.771 -0.102 1.00 0.00 C ATOM 191 C CYS A 545 2.288 5.064 -1.088 1.00 0.00 C ATOM 192 O CYS A 545 1.855 5.651 -2.079 1.00 0.00 O ATOM 193 CB CYS A 545 2.409 6.262 1.104 1.00 0.00 C ATOM 194 SG CYS A 545 3.427 6.804 2.497 1.00 0.00 S ATOM 0 H CYS A 545 3.363 7.348 -1.477 1.00 0.00 H new ATOM 0 HA CYS A 545 3.965 5.060 0.236 1.00 0.00 H new ATOM 0 HB2 CYS A 545 1.771 7.089 0.790 1.00 0.00 H new ATOM 0 HB3 CYS A 545 1.750 5.461 1.439 1.00 0.00 H new ATOM 0 HG CYS A 545 3.099 6.133 3.561 1.00 0.00 H new ATOM 200 N ALA A 546 1.993 3.798 -0.811 1.00 0.00 N ATOM 201 CA ALA A 546 1.121 3.011 -1.675 1.00 0.00 C ATOM 202 C ALA A 546 0.295 2.019 -0.862 1.00 0.00 C ATOM 203 O ALA A 546 0.841 1.199 -0.123 1.00 0.00 O ATOM 204 CB ALA A 546 1.940 2.281 -2.727 1.00 0.00 C ATOM 0 H ALA A 546 2.345 3.296 0.004 1.00 0.00 H new ATOM 0 HA ALA A 546 0.434 3.693 -2.175 1.00 0.00 H new ATOM 0 HB1 ALA A 546 1.276 1.698 -3.365 1.00 0.00 H new ATOM 0 HB2 ALA A 546 2.482 3.006 -3.334 1.00 0.00 H new ATOM 0 HB3 ALA A 546 2.650 1.615 -2.237 1.00 0.00 H new ATOM 210 N HIS A 547 -1.025 2.099 -1.004 1.00 0.00 N ATOM 211 CA HIS A 547 -1.927 1.208 -0.283 1.00 0.00 C ATOM 212 C HIS A 547 -2.269 -0.017 -1.126 1.00 0.00 C ATOM 213 O HIS A 547 -2.626 0.106 -2.298 1.00 0.00 O ATOM 214 CB HIS A 547 -3.206 1.948 0.107 1.00 0.00 C ATOM 215 CG HIS A 547 -4.011 1.242 1.154 1.00 0.00 C ATOM 216 ND1 HIS A 547 -5.385 1.331 1.234 1.00 0.00 N ATOM 217 CD2 HIS A 547 -3.629 0.429 2.167 1.00 0.00 C ATOM 218 CE1 HIS A 547 -5.813 0.606 2.252 1.00 0.00 C ATOM 219 NE2 HIS A 547 -4.767 0.048 2.834 1.00 0.00 N ATOM 0 H HIS A 547 -1.493 2.771 -1.612 1.00 0.00 H new ATOM 0 HA HIS A 547 -1.421 0.874 0.623 1.00 0.00 H new ATOM 0 HB2 HIS A 547 -2.944 2.942 0.470 1.00 0.00 H new ATOM 0 HB3 HIS A 547 -3.822 2.085 -0.782 1.00 0.00 H new ATOM 0 HD2 HIS A 547 -2.618 0.135 2.406 1.00 0.00 H new ATOM 0 HE1 HIS A 547 -6.843 0.489 2.556 1.00 0.00 H new ATOM 0 HE2 HIS A 547 -4.799 -0.567 3.647 1.00 0.00 H new ATOM 227 N ILE A 548 -2.160 -1.195 -0.522 1.00 0.00 N ATOM 228 CA ILE A 548 -2.459 -2.440 -1.218 1.00 0.00 C ATOM 229 C ILE A 548 -3.773 -3.040 -0.729 1.00 0.00 C ATOM 230 O ILE A 548 -3.948 -3.294 0.463 1.00 0.00 O ATOM 231 CB ILE A 548 -1.333 -3.475 -1.030 1.00 0.00 C ATOM 232 CG1 ILE A 548 0.025 -2.843 -1.339 1.00 0.00 C ATOM 233 CG2 ILE A 548 -1.575 -4.687 -1.917 1.00 0.00 C ATOM 234 CD1 ILE A 548 1.195 -3.623 -0.780 1.00 0.00 C ATOM 0 H ILE A 548 -1.867 -1.314 0.448 1.00 0.00 H new ATOM 0 HA ILE A 548 -2.544 -2.197 -2.277 1.00 0.00 H new ATOM 0 HB ILE A 548 -1.331 -3.805 0.009 1.00 0.00 H new ATOM 0 HG12 ILE A 548 0.139 -2.757 -2.420 1.00 0.00 H new ATOM 0 HG13 ILE A 548 0.046 -1.831 -0.934 1.00 0.00 H new ATOM 0 HG21 ILE A 548 -0.771 -5.409 -1.773 1.00 0.00 H new ATOM 0 HG22 ILE A 548 -2.528 -5.147 -1.653 1.00 0.00 H new ATOM 0 HG23 ILE A 548 -1.600 -4.375 -2.961 1.00 0.00 H new ATOM 0 HD11 ILE A 548 2.126 -3.117 -1.037 1.00 0.00 H new ATOM 0 HD12 ILE A 548 1.105 -3.687 0.304 1.00 0.00 H new ATOM 0 HD13 ILE A 548 1.199 -4.627 -1.204 1.00 0.00 H new ATOM 246 N THR A 549 -4.695 -3.268 -1.659 1.00 0.00 N ATOM 247 CA THR A 549 -5.994 -3.841 -1.325 1.00 0.00 C ATOM 248 C THR A 549 -6.353 -4.979 -2.272 1.00 0.00 C ATOM 249 O THR A 549 -5.652 -5.230 -3.250 1.00 0.00 O ATOM 250 CB THR A 549 -7.105 -2.775 -1.373 1.00 0.00 C ATOM 251 OG1 THR A 549 -7.362 -2.397 -2.730 1.00 0.00 O ATOM 252 CG2 THR A 549 -6.715 -1.548 -0.564 1.00 0.00 C ATOM 0 H THR A 549 -4.566 -3.065 -2.650 1.00 0.00 H new ATOM 0 HA THR A 549 -5.918 -4.230 -0.310 1.00 0.00 H new ATOM 0 HB THR A 549 -8.008 -3.204 -0.938 1.00 0.00 H new ATOM 0 HG1 THR A 549 -8.071 -1.720 -2.753 1.00 0.00 H new ATOM 0 HG21 THR A 549 -7.516 -0.810 -0.614 1.00 0.00 H new ATOM 0 HG22 THR A 549 -6.549 -1.835 0.475 1.00 0.00 H new ATOM 0 HG23 THR A 549 -5.800 -1.119 -0.972 1.00 0.00 H new ATOM 260 N ASN A 550 -7.452 -5.665 -1.975 1.00 0.00 N ATOM 261 CA ASN A 550 -7.907 -6.777 -2.801 1.00 0.00 C ATOM 262 C ASN A 550 -6.918 -7.938 -2.740 1.00 0.00 C ATOM 263 O ASN A 550 -6.545 -8.504 -3.768 1.00 0.00 O ATOM 264 CB ASN A 550 -8.087 -6.322 -4.251 1.00 0.00 C ATOM 265 CG ASN A 550 -8.742 -7.384 -5.113 1.00 0.00 C ATOM 266 OD1 ASN A 550 -9.429 -8.273 -4.608 1.00 0.00 O ATOM 267 ND2 ASN A 550 -8.531 -7.297 -6.421 1.00 0.00 N ATOM 0 H ASN A 550 -8.044 -5.470 -1.168 1.00 0.00 H new ATOM 0 HA ASN A 550 -8.867 -7.118 -2.413 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -8.693 -5.416 -4.272 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -7.115 -6.065 -4.672 1.00 0.00 H new ATOM 0 HD21 ASN A 550 -8.945 -7.984 -7.051 1.00 0.00 H new ATOM 0 HD22 ASN A 550 -7.955 -6.543 -6.796 1.00 0.00 H new ATOM 274 N ILE A 551 -6.499 -8.289 -1.529 1.00 0.00 N ATOM 275 CA ILE A 551 -5.556 -9.383 -1.334 1.00 0.00 C ATOM 276 C ILE A 551 -6.011 -10.306 -0.209 1.00 0.00 C ATOM 277 O ILE A 551 -6.708 -9.897 0.720 1.00 0.00 O ATOM 278 CB ILE A 551 -4.144 -8.859 -1.014 1.00 0.00 C ATOM 279 CG1 ILE A 551 -4.220 -7.698 -0.019 1.00 0.00 C ATOM 280 CG2 ILE A 551 -3.438 -8.424 -2.290 1.00 0.00 C ATOM 281 CD1 ILE A 551 -2.905 -7.406 0.671 1.00 0.00 C ATOM 0 H ILE A 551 -6.798 -7.831 -0.668 1.00 0.00 H new ATOM 0 HA ILE A 551 -5.523 -9.942 -2.269 1.00 0.00 H new ATOM 0 HB ILE A 551 -3.568 -9.665 -0.560 1.00 0.00 H new ATOM 0 HG12 ILE A 551 -4.553 -6.802 -0.543 1.00 0.00 H new ATOM 0 HG13 ILE A 551 -4.974 -7.925 0.735 1.00 0.00 H new ATOM 0 HG21 ILE A 551 -2.441 -8.056 -2.047 1.00 0.00 H new ATOM 0 HG22 ILE A 551 -3.356 -9.273 -2.968 1.00 0.00 H new ATOM 0 HG23 ILE A 551 -4.011 -7.630 -2.770 1.00 0.00 H new ATOM 0 HD11 ILE A 551 -3.034 -6.572 1.361 1.00 0.00 H new ATOM 0 HD12 ILE A 551 -2.580 -8.288 1.224 1.00 0.00 H new ATOM 0 HD13 ILE A 551 -2.153 -7.147 -0.074 1.00 0.00 H new ATOM 293 N PRO A 552 -5.606 -11.582 -0.291 1.00 0.00 N ATOM 294 CA PRO A 552 -5.958 -12.590 0.714 1.00 0.00 C ATOM 295 C PRO A 552 -5.757 -12.084 2.138 1.00 0.00 C ATOM 296 O PRO A 552 -4.698 -11.557 2.477 1.00 0.00 O ATOM 297 CB PRO A 552 -4.993 -13.740 0.414 1.00 0.00 C ATOM 298 CG PRO A 552 -4.689 -13.612 -1.038 1.00 0.00 C ATOM 299 CD PRO A 552 -4.773 -12.139 -1.369 1.00 0.00 C ATOM 0 HA PRO A 552 -7.010 -12.871 0.659 1.00 0.00 H new ATOM 0 HB2 PRO A 552 -4.088 -13.664 1.016 1.00 0.00 H new ATOM 0 HB3 PRO A 552 -5.446 -14.705 0.640 1.00 0.00 H new ATOM 0 HG2 PRO A 552 -3.697 -14.003 -1.262 1.00 0.00 H new ATOM 0 HG3 PRO A 552 -5.400 -14.184 -1.634 1.00 0.00 H new ATOM 0 HD2 PRO A 552 -3.786 -11.677 -1.391 1.00 0.00 H new ATOM 0 HD3 PRO A 552 -5.223 -11.974 -2.348 1.00 0.00 H new ATOM 307 N PHE A 553 -6.782 -12.248 2.968 1.00 0.00 N ATOM 308 CA PHE A 553 -6.718 -11.806 4.358 1.00 0.00 C ATOM 309 C PHE A 553 -6.181 -12.916 5.256 1.00 0.00 C ATOM 310 O PHE A 553 -6.520 -12.991 6.438 1.00 0.00 O ATOM 311 CB PHE A 553 -8.103 -11.369 4.840 1.00 0.00 C ATOM 312 CG PHE A 553 -9.205 -12.298 4.419 1.00 0.00 C ATOM 313 CD1 PHE A 553 -9.429 -13.483 5.102 1.00 0.00 C ATOM 314 CD2 PHE A 553 -10.018 -11.988 3.340 1.00 0.00 C ATOM 315 CE1 PHE A 553 -10.442 -14.341 4.719 1.00 0.00 C ATOM 316 CE2 PHE A 553 -11.033 -12.841 2.952 1.00 0.00 C ATOM 317 CZ PHE A 553 -11.245 -14.020 3.642 1.00 0.00 C ATOM 0 H PHE A 553 -7.666 -12.683 2.704 1.00 0.00 H new ATOM 0 HA PHE A 553 -6.037 -10.957 4.413 1.00 0.00 H new ATOM 0 HB2 PHE A 553 -8.095 -11.298 5.928 1.00 0.00 H new ATOM 0 HB3 PHE A 553 -8.314 -10.371 4.457 1.00 0.00 H new ATOM 0 HD1 PHE A 553 -8.804 -13.739 5.944 1.00 0.00 H new ATOM 0 HD2 PHE A 553 -9.856 -11.069 2.796 1.00 0.00 H new ATOM 0 HE1 PHE A 553 -10.606 -15.261 5.261 1.00 0.00 H new ATOM 0 HE2 PHE A 553 -11.660 -12.587 2.110 1.00 0.00 H new ATOM 0 HZ PHE A 553 -12.037 -14.689 3.339 1.00 0.00 H new ATOM 327 N SER A 554 -5.342 -13.777 4.688 1.00 0.00 N ATOM 328 CA SER A 554 -4.762 -14.886 5.436 1.00 0.00 C ATOM 329 C SER A 554 -3.243 -14.760 5.503 1.00 0.00 C ATOM 330 O SER A 554 -2.590 -15.410 6.319 1.00 0.00 O ATOM 331 CB SER A 554 -5.146 -16.220 4.792 1.00 0.00 C ATOM 332 OG SER A 554 -4.562 -16.353 3.508 1.00 0.00 O ATOM 0 H SER A 554 -5.049 -13.728 3.712 1.00 0.00 H new ATOM 0 HA SER A 554 -5.158 -14.853 6.451 1.00 0.00 H new ATOM 0 HB2 SER A 554 -4.821 -17.042 5.430 1.00 0.00 H new ATOM 0 HB3 SER A 554 -6.231 -16.289 4.711 1.00 0.00 H new ATOM 0 HG SER A 554 -4.821 -17.214 3.118 1.00 0.00 H new ATOM 338 N ILE A 555 -2.687 -13.917 4.638 1.00 0.00 N ATOM 339 CA ILE A 555 -1.245 -13.704 4.599 1.00 0.00 C ATOM 340 C ILE A 555 -0.807 -12.712 5.669 1.00 0.00 C ATOM 341 O ILE A 555 -1.630 -12.003 6.250 1.00 0.00 O ATOM 342 CB ILE A 555 -0.789 -13.190 3.220 1.00 0.00 C ATOM 343 CG1 ILE A 555 -1.232 -11.740 3.021 1.00 0.00 C ATOM 344 CG2 ILE A 555 -1.346 -14.075 2.115 1.00 0.00 C ATOM 345 CD1 ILE A 555 -0.595 -11.073 1.823 1.00 0.00 C ATOM 0 H ILE A 555 -3.213 -13.371 3.956 1.00 0.00 H new ATOM 0 HA ILE A 555 -0.778 -14.670 4.790 1.00 0.00 H new ATOM 0 HB ILE A 555 0.299 -13.228 3.176 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -2.316 -11.712 2.909 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -0.989 -11.168 3.917 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -1.015 -13.699 1.147 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -0.987 -15.095 2.250 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -2.435 -14.065 2.155 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -0.955 -10.047 1.744 1.00 0.00 H new ATOM 0 HD12 ILE A 555 0.488 -11.069 1.942 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -0.859 -11.621 0.918 1.00 0.00 H new ATOM 357 N THR A 556 0.497 -12.663 5.927 1.00 0.00 N ATOM 358 CA THR A 556 1.045 -11.756 6.926 1.00 0.00 C ATOM 359 C THR A 556 2.129 -10.867 6.327 1.00 0.00 C ATOM 360 O THR A 556 2.546 -11.063 5.186 1.00 0.00 O ATOM 361 CB THR A 556 1.634 -12.529 8.123 1.00 0.00 C ATOM 362 OG1 THR A 556 2.588 -13.493 7.661 1.00 0.00 O ATOM 363 CG2 THR A 556 0.536 -13.230 8.908 1.00 0.00 C ATOM 0 H THR A 556 1.193 -13.242 5.457 1.00 0.00 H new ATOM 0 HA THR A 556 0.221 -11.134 7.274 1.00 0.00 H new ATOM 0 HB THR A 556 2.129 -11.815 8.781 1.00 0.00 H new ATOM 0 HG1 THR A 556 2.959 -13.979 8.427 1.00 0.00 H new ATOM 0 HG21 THR A 556 0.976 -13.769 9.747 1.00 0.00 H new ATOM 0 HG22 THR A 556 -0.172 -12.491 9.282 1.00 0.00 H new ATOM 0 HG23 THR A 556 0.016 -13.934 8.258 1.00 0.00 H new ATOM 371 N LYS A 557 2.581 -9.890 7.105 1.00 0.00 N ATOM 372 CA LYS A 557 3.619 -8.970 6.652 1.00 0.00 C ATOM 373 C LYS A 557 4.707 -9.714 5.884 1.00 0.00 C ATOM 374 O LYS A 557 5.101 -9.301 4.794 1.00 0.00 O ATOM 375 CB LYS A 557 4.234 -8.235 7.846 1.00 0.00 C ATOM 376 CG LYS A 557 4.793 -6.867 7.495 1.00 0.00 C ATOM 377 CD LYS A 557 4.903 -5.978 8.722 1.00 0.00 C ATOM 378 CE LYS A 557 6.015 -6.443 9.649 1.00 0.00 C ATOM 379 NZ LYS A 557 6.258 -5.473 10.754 1.00 0.00 N ATOM 0 H LYS A 557 2.246 -9.714 8.052 1.00 0.00 H new ATOM 0 HA LYS A 557 3.159 -8.243 5.983 1.00 0.00 H new ATOM 0 HB2 LYS A 557 3.476 -8.121 8.621 1.00 0.00 H new ATOM 0 HB3 LYS A 557 5.031 -8.847 8.267 1.00 0.00 H new ATOM 0 HG2 LYS A 557 5.776 -6.981 7.038 1.00 0.00 H new ATOM 0 HG3 LYS A 557 4.151 -6.389 6.755 1.00 0.00 H new ATOM 0 HD2 LYS A 557 5.092 -4.950 8.412 1.00 0.00 H new ATOM 0 HD3 LYS A 557 3.955 -5.979 9.260 1.00 0.00 H new ATOM 0 HE2 LYS A 557 5.755 -7.415 10.069 1.00 0.00 H new ATOM 0 HE3 LYS A 557 6.932 -6.578 9.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 7.023 -5.826 11.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 6.531 -4.552 10.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 5.390 -5.363 11.316 1.00 0.00 H new ATOM 393 N MET A 558 5.187 -10.811 6.459 1.00 0.00 N ATOM 394 CA MET A 558 6.227 -11.613 5.826 1.00 0.00 C ATOM 395 C MET A 558 5.893 -11.881 4.362 1.00 0.00 C ATOM 396 O MET A 558 6.761 -11.804 3.493 1.00 0.00 O ATOM 397 CB MET A 558 6.405 -12.937 6.571 1.00 0.00 C ATOM 398 CG MET A 558 7.604 -13.744 6.100 1.00 0.00 C ATOM 399 SD MET A 558 9.168 -13.081 6.706 1.00 0.00 S ATOM 400 CE MET A 558 10.123 -13.027 5.192 1.00 0.00 C ATOM 0 H MET A 558 4.872 -11.165 7.362 1.00 0.00 H new ATOM 0 HA MET A 558 7.160 -11.051 5.870 1.00 0.00 H new ATOM 0 HB2 MET A 558 6.511 -12.733 7.637 1.00 0.00 H new ATOM 0 HB3 MET A 558 5.503 -13.537 6.449 1.00 0.00 H new ATOM 0 HG2 MET A 558 7.497 -14.776 6.435 1.00 0.00 H new ATOM 0 HG3 MET A 558 7.619 -13.762 5.010 1.00 0.00 H new ATOM 0 HE1 MET A 558 11.119 -12.637 5.404 1.00 0.00 H new ATOM 0 HE2 MET A 558 10.207 -14.032 4.779 1.00 0.00 H new ATOM 0 HE3 MET A 558 9.625 -12.379 4.471 1.00 0.00 H new ATOM 410 N ASP A 559 4.629 -12.195 4.096 1.00 0.00 N ATOM 411 CA ASP A 559 4.180 -12.473 2.738 1.00 0.00 C ATOM 412 C ASP A 559 4.293 -11.229 1.862 1.00 0.00 C ATOM 413 O ASP A 559 4.812 -11.286 0.747 1.00 0.00 O ATOM 414 CB ASP A 559 2.735 -12.976 2.748 1.00 0.00 C ATOM 415 CG ASP A 559 2.641 -14.460 3.041 1.00 0.00 C ATOM 416 OD1 ASP A 559 2.957 -15.263 2.139 1.00 0.00 O ATOM 417 OD2 ASP A 559 2.249 -14.818 4.172 1.00 0.00 O ATOM 0 H ASP A 559 3.898 -12.263 4.804 1.00 0.00 H new ATOM 0 HA ASP A 559 4.823 -13.248 2.321 1.00 0.00 H new ATOM 0 HB2 ASP A 559 2.166 -12.424 3.496 1.00 0.00 H new ATOM 0 HB3 ASP A 559 2.275 -12.769 1.782 1.00 0.00 H new ATOM 422 N VAL A 560 3.802 -10.105 2.376 1.00 0.00 N ATOM 423 CA VAL A 560 3.849 -8.846 1.640 1.00 0.00 C ATOM 424 C VAL A 560 5.279 -8.488 1.251 1.00 0.00 C ATOM 425 O VAL A 560 5.538 -8.058 0.126 1.00 0.00 O ATOM 426 CB VAL A 560 3.249 -7.693 2.466 1.00 0.00 C ATOM 427 CG1 VAL A 560 3.553 -6.353 1.813 1.00 0.00 C ATOM 428 CG2 VAL A 560 1.749 -7.883 2.638 1.00 0.00 C ATOM 0 H VAL A 560 3.368 -10.040 3.297 1.00 0.00 H new ATOM 0 HA VAL A 560 3.255 -8.985 0.736 1.00 0.00 H new ATOM 0 HB VAL A 560 3.708 -7.701 3.454 1.00 0.00 H new ATOM 0 HG11 VAL A 560 3.121 -5.551 2.411 1.00 0.00 H new ATOM 0 HG12 VAL A 560 4.632 -6.216 1.748 1.00 0.00 H new ATOM 0 HG13 VAL A 560 3.124 -6.331 0.811 1.00 0.00 H new ATOM 0 HG21 VAL A 560 1.343 -7.059 3.224 1.00 0.00 H new ATOM 0 HG22 VAL A 560 1.270 -7.903 1.659 1.00 0.00 H new ATOM 0 HG23 VAL A 560 1.558 -8.824 3.154 1.00 0.00 H new ATOM 438 N LEU A 561 6.203 -8.668 2.188 1.00 0.00 N ATOM 439 CA LEU A 561 7.609 -8.366 1.943 1.00 0.00 C ATOM 440 C LEU A 561 8.110 -9.077 0.689 1.00 0.00 C ATOM 441 O LEU A 561 8.950 -8.551 -0.039 1.00 0.00 O ATOM 442 CB LEU A 561 8.456 -8.776 3.148 1.00 0.00 C ATOM 443 CG LEU A 561 8.110 -8.098 4.475 1.00 0.00 C ATOM 444 CD1 LEU A 561 8.892 -8.728 5.616 1.00 0.00 C ATOM 445 CD2 LEU A 561 8.385 -6.604 4.398 1.00 0.00 C ATOM 0 H LEU A 561 6.004 -9.021 3.124 1.00 0.00 H new ATOM 0 HA LEU A 561 7.702 -7.291 1.789 1.00 0.00 H new ATOM 0 HB2 LEU A 561 8.366 -9.854 3.280 1.00 0.00 H new ATOM 0 HB3 LEU A 561 9.501 -8.569 2.919 1.00 0.00 H new ATOM 0 HG LEU A 561 7.047 -8.242 4.668 1.00 0.00 H new ATOM 0 HD11 LEU A 561 8.633 -8.233 6.552 1.00 0.00 H new ATOM 0 HD12 LEU A 561 8.645 -9.787 5.685 1.00 0.00 H new ATOM 0 HD13 LEU A 561 9.960 -8.616 5.430 1.00 0.00 H new ATOM 0 HD21 LEU A 561 8.133 -6.138 5.351 1.00 0.00 H new ATOM 0 HD22 LEU A 561 9.440 -6.439 4.181 1.00 0.00 H new ATOM 0 HD23 LEU A 561 7.779 -6.163 3.607 1.00 0.00 H new ATOM 457 N GLN A 562 7.583 -10.272 0.445 1.00 0.00 N ATOM 458 CA GLN A 562 7.977 -11.055 -0.722 1.00 0.00 C ATOM 459 C GLN A 562 7.318 -10.514 -1.986 1.00 0.00 C ATOM 460 O GLN A 562 7.973 -10.342 -3.015 1.00 0.00 O ATOM 461 CB GLN A 562 7.600 -12.524 -0.527 1.00 0.00 C ATOM 462 CG GLN A 562 7.885 -13.392 -1.743 1.00 0.00 C ATOM 463 CD GLN A 562 9.367 -13.533 -2.025 1.00 0.00 C ATOM 464 OE1 GLN A 562 10.011 -12.601 -2.508 1.00 0.00 O ATOM 465 NE2 GLN A 562 9.917 -14.705 -1.726 1.00 0.00 N ATOM 0 H GLN A 562 6.884 -10.719 1.038 1.00 0.00 H new ATOM 0 HA GLN A 562 9.058 -10.976 -0.834 1.00 0.00 H new ATOM 0 HB2 GLN A 562 8.147 -12.920 0.328 1.00 0.00 H new ATOM 0 HB3 GLN A 562 6.539 -12.589 -0.285 1.00 0.00 H new ATOM 0 HG2 GLN A 562 7.453 -14.381 -1.588 1.00 0.00 H new ATOM 0 HG3 GLN A 562 7.392 -12.962 -2.615 1.00 0.00 H new ATOM 0 HE21 GLN A 562 9.345 -15.450 -1.327 1.00 0.00 H new ATOM 0 HE22 GLN A 562 10.911 -14.860 -1.895 1.00 0.00 H new ATOM 474 N PHE A 563 6.020 -10.245 -1.904 1.00 0.00 N ATOM 475 CA PHE A 563 5.273 -9.724 -3.043 1.00 0.00 C ATOM 476 C PHE A 563 5.934 -8.466 -3.598 1.00 0.00 C ATOM 477 O PHE A 563 5.808 -8.156 -4.783 1.00 0.00 O ATOM 478 CB PHE A 563 3.829 -9.418 -2.636 1.00 0.00 C ATOM 479 CG PHE A 563 3.078 -8.612 -3.656 1.00 0.00 C ATOM 480 CD1 PHE A 563 2.985 -9.045 -4.970 1.00 0.00 C ATOM 481 CD2 PHE A 563 2.462 -7.422 -3.302 1.00 0.00 C ATOM 482 CE1 PHE A 563 2.293 -8.306 -5.911 1.00 0.00 C ATOM 483 CE2 PHE A 563 1.769 -6.679 -4.238 1.00 0.00 C ATOM 484 CZ PHE A 563 1.685 -7.120 -5.545 1.00 0.00 C ATOM 0 H PHE A 563 5.463 -10.379 -1.060 1.00 0.00 H new ATOM 0 HA PHE A 563 5.270 -10.486 -3.823 1.00 0.00 H new ATOM 0 HB2 PHE A 563 3.301 -10.356 -2.466 1.00 0.00 H new ATOM 0 HB3 PHE A 563 3.833 -8.878 -1.689 1.00 0.00 H new ATOM 0 HD1 PHE A 563 3.459 -9.971 -5.262 1.00 0.00 H new ATOM 0 HD2 PHE A 563 2.525 -7.071 -2.282 1.00 0.00 H new ATOM 0 HE1 PHE A 563 2.227 -8.655 -6.931 1.00 0.00 H new ATOM 0 HE2 PHE A 563 1.293 -5.754 -3.948 1.00 0.00 H new ATOM 0 HZ PHE A 563 1.146 -6.539 -6.279 1.00 0.00 H new ATOM 494 N LEU A 564 6.639 -7.745 -2.732 1.00 0.00 N ATOM 495 CA LEU A 564 7.321 -6.519 -3.135 1.00 0.00 C ATOM 496 C LEU A 564 8.814 -6.765 -3.326 1.00 0.00 C ATOM 497 O LEU A 564 9.629 -5.859 -3.152 1.00 0.00 O ATOM 498 CB LEU A 564 7.101 -5.425 -2.089 1.00 0.00 C ATOM 499 CG LEU A 564 5.682 -4.865 -1.990 1.00 0.00 C ATOM 500 CD1 LEU A 564 5.523 -4.031 -0.729 1.00 0.00 C ATOM 501 CD2 LEU A 564 5.347 -4.039 -3.224 1.00 0.00 C ATOM 0 H LEU A 564 6.753 -7.988 -1.748 1.00 0.00 H new ATOM 0 HA LEU A 564 6.902 -6.193 -4.087 1.00 0.00 H new ATOM 0 HB2 LEU A 564 7.382 -5.822 -1.113 1.00 0.00 H new ATOM 0 HB3 LEU A 564 7.781 -4.601 -2.306 1.00 0.00 H new ATOM 0 HG LEU A 564 4.985 -5.702 -1.937 1.00 0.00 H new ATOM 0 HD11 LEU A 564 4.506 -3.641 -0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 564 5.719 -4.652 0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 564 6.229 -3.201 -0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 564 4.333 -3.648 -3.136 1.00 0.00 H new ATOM 0 HD22 LEU A 564 6.049 -3.210 -3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 564 5.418 -4.667 -4.112 1.00 0.00 H new ATOM 513 N GLU A 565 9.165 -7.996 -3.685 1.00 0.00 N ATOM 514 CA GLU A 565 10.561 -8.359 -3.900 1.00 0.00 C ATOM 515 C GLU A 565 11.234 -7.385 -4.863 1.00 0.00 C ATOM 516 O GLU A 565 10.608 -6.888 -5.798 1.00 0.00 O ATOM 517 CB GLU A 565 10.661 -9.785 -4.447 1.00 0.00 C ATOM 518 CG GLU A 565 12.088 -10.233 -4.719 1.00 0.00 C ATOM 519 CD GLU A 565 12.175 -11.696 -5.109 1.00 0.00 C ATOM 520 OE1 GLU A 565 11.452 -12.516 -4.506 1.00 0.00 O ATOM 521 OE2 GLU A 565 12.967 -12.020 -6.020 1.00 0.00 O ATOM 0 H GLU A 565 8.503 -8.758 -3.833 1.00 0.00 H new ATOM 0 HA GLU A 565 11.076 -8.308 -2.940 1.00 0.00 H new ATOM 0 HB2 GLU A 565 10.203 -10.471 -3.735 1.00 0.00 H new ATOM 0 HB3 GLU A 565 10.085 -9.852 -5.370 1.00 0.00 H new ATOM 0 HG2 GLU A 565 12.511 -9.622 -5.517 1.00 0.00 H new ATOM 0 HG3 GLU A 565 12.695 -10.061 -3.830 1.00 0.00 H new ATOM 528 N GLY A 566 12.515 -7.116 -4.625 1.00 0.00 N ATOM 529 CA GLY A 566 13.252 -6.203 -5.478 1.00 0.00 C ATOM 530 C GLY A 566 13.369 -4.816 -4.878 1.00 0.00 C ATOM 531 O GLY A 566 14.389 -4.146 -5.041 1.00 0.00 O ATOM 0 H GLY A 566 13.055 -7.514 -3.857 1.00 0.00 H new ATOM 0 HA2 GLY A 566 14.250 -6.603 -5.657 1.00 0.00 H new ATOM 0 HA3 GLY A 566 12.757 -6.136 -6.447 1.00 0.00 H new ATOM 535 N ILE A 567 12.321 -4.383 -4.184 1.00 0.00 N ATOM 536 CA ILE A 567 12.312 -3.066 -3.559 1.00 0.00 C ATOM 537 C ILE A 567 12.976 -3.105 -2.187 1.00 0.00 C ATOM 538 O ILE A 567 12.508 -3.770 -1.262 1.00 0.00 O ATOM 539 CB ILE A 567 10.877 -2.526 -3.407 1.00 0.00 C ATOM 540 CG1 ILE A 567 10.231 -2.343 -4.783 1.00 0.00 C ATOM 541 CG2 ILE A 567 10.884 -1.213 -2.641 1.00 0.00 C ATOM 542 CD1 ILE A 567 8.720 -2.270 -4.735 1.00 0.00 C ATOM 0 H ILE A 567 11.469 -4.924 -4.041 1.00 0.00 H new ATOM 0 HA ILE A 567 12.875 -2.401 -4.214 1.00 0.00 H new ATOM 0 HB ILE A 567 10.289 -3.250 -2.843 1.00 0.00 H new ATOM 0 HG12 ILE A 567 10.617 -1.431 -5.238 1.00 0.00 H new ATOM 0 HG13 ILE A 567 10.527 -3.171 -5.428 1.00 0.00 H new ATOM 0 HG21 ILE A 567 9.863 -0.844 -2.542 1.00 0.00 H new ATOM 0 HG22 ILE A 567 11.310 -1.372 -1.650 1.00 0.00 H new ATOM 0 HG23 ILE A 567 11.484 -0.480 -3.181 1.00 0.00 H new ATOM 0 HD11 ILE A 567 8.330 -2.140 -5.744 1.00 0.00 H new ATOM 0 HD12 ILE A 567 8.325 -3.192 -4.309 1.00 0.00 H new ATOM 0 HD13 ILE A 567 8.416 -1.425 -4.117 1.00 0.00 H new ATOM 554 N PRO A 568 14.090 -2.372 -2.048 1.00 0.00 N ATOM 555 CA PRO A 568 14.842 -2.304 -0.791 1.00 0.00 C ATOM 556 C PRO A 568 14.171 -1.398 0.236 1.00 0.00 C ATOM 557 O PRO A 568 14.528 -0.228 0.373 1.00 0.00 O ATOM 558 CB PRO A 568 16.192 -1.723 -1.216 1.00 0.00 C ATOM 559 CG PRO A 568 15.890 -0.910 -2.428 1.00 0.00 C ATOM 560 CD PRO A 568 14.703 -1.554 -3.108 1.00 0.00 C ATOM 0 HA PRO A 568 14.916 -3.278 -0.306 1.00 0.00 H new ATOM 0 HB2 PRO A 568 16.625 -1.110 -0.426 1.00 0.00 H new ATOM 0 HB3 PRO A 568 16.911 -2.512 -1.438 1.00 0.00 H new ATOM 0 HG2 PRO A 568 15.665 0.121 -2.155 1.00 0.00 H new ATOM 0 HG3 PRO A 568 16.750 -0.882 -3.098 1.00 0.00 H new ATOM 0 HD2 PRO A 568 14.007 -0.807 -3.489 1.00 0.00 H new ATOM 0 HD3 PRO A 568 15.011 -2.165 -3.956 1.00 0.00 H new ATOM 568 N VAL A 569 13.197 -1.946 0.957 1.00 0.00 N ATOM 569 CA VAL A 569 12.478 -1.187 1.973 1.00 0.00 C ATOM 570 C VAL A 569 12.350 -1.984 3.266 1.00 0.00 C ATOM 571 O VAL A 569 12.096 -3.188 3.242 1.00 0.00 O ATOM 572 CB VAL A 569 11.072 -0.790 1.486 1.00 0.00 C ATOM 573 CG1 VAL A 569 10.238 -2.028 1.194 1.00 0.00 C ATOM 574 CG2 VAL A 569 10.383 0.096 2.513 1.00 0.00 C ATOM 0 H VAL A 569 12.888 -2.913 0.856 1.00 0.00 H new ATOM 0 HA VAL A 569 13.057 -0.283 2.163 1.00 0.00 H new ATOM 0 HB VAL A 569 11.174 -0.223 0.560 1.00 0.00 H new ATOM 0 HG11 VAL A 569 9.248 -1.727 0.851 1.00 0.00 H new ATOM 0 HG12 VAL A 569 10.725 -2.621 0.420 1.00 0.00 H new ATOM 0 HG13 VAL A 569 10.142 -2.624 2.101 1.00 0.00 H new ATOM 0 HG21 VAL A 569 9.391 0.367 2.152 1.00 0.00 H new ATOM 0 HG22 VAL A 569 10.292 -0.443 3.456 1.00 0.00 H new ATOM 0 HG23 VAL A 569 10.972 1.000 2.667 1.00 0.00 H new ATOM 584 N ASP A 570 12.529 -1.304 4.394 1.00 0.00 N ATOM 585 CA ASP A 570 12.432 -1.949 5.699 1.00 0.00 C ATOM 586 C ASP A 570 11.050 -2.562 5.900 1.00 0.00 C ATOM 587 O ASP A 570 10.074 -2.131 5.287 1.00 0.00 O ATOM 588 CB ASP A 570 12.724 -0.941 6.811 1.00 0.00 C ATOM 589 CG ASP A 570 14.208 -0.789 7.080 1.00 0.00 C ATOM 590 OD1 ASP A 570 15.004 -0.957 6.132 1.00 0.00 O ATOM 591 OD2 ASP A 570 14.574 -0.501 8.238 1.00 0.00 O ATOM 0 H ASP A 570 12.742 -0.307 4.431 1.00 0.00 H new ATOM 0 HA ASP A 570 13.173 -2.748 5.739 1.00 0.00 H new ATOM 0 HB2 ASP A 570 12.306 0.028 6.538 1.00 0.00 H new ATOM 0 HB3 ASP A 570 12.223 -1.258 7.725 1.00 0.00 H new ATOM 596 N GLU A 571 10.976 -3.571 6.762 1.00 0.00 N ATOM 597 CA GLU A 571 9.713 -4.246 7.041 1.00 0.00 C ATOM 598 C GLU A 571 8.821 -3.382 7.929 1.00 0.00 C ATOM 599 O GLU A 571 7.647 -3.687 8.130 1.00 0.00 O ATOM 600 CB GLU A 571 9.969 -5.595 7.717 1.00 0.00 C ATOM 601 CG GLU A 571 10.462 -5.476 9.149 1.00 0.00 C ATOM 602 CD GLU A 571 11.956 -5.228 9.232 1.00 0.00 C ATOM 603 OE1 GLU A 571 12.729 -6.164 8.942 1.00 0.00 O ATOM 604 OE2 GLU A 571 12.352 -4.098 9.588 1.00 0.00 O ATOM 0 H GLU A 571 11.775 -3.939 7.279 1.00 0.00 H new ATOM 0 HA GLU A 571 9.202 -4.414 6.093 1.00 0.00 H new ATOM 0 HB2 GLU A 571 9.048 -6.177 7.706 1.00 0.00 H new ATOM 0 HB3 GLU A 571 10.704 -6.150 7.134 1.00 0.00 H new ATOM 0 HG2 GLU A 571 9.934 -4.661 9.645 1.00 0.00 H new ATOM 0 HG3 GLU A 571 10.218 -6.390 9.691 1.00 0.00 H new ATOM 611 N ASN A 572 9.388 -2.301 8.456 1.00 0.00 N ATOM 612 CA ASN A 572 8.645 -1.393 9.322 1.00 0.00 C ATOM 613 C ASN A 572 7.865 -0.373 8.498 1.00 0.00 C ATOM 614 O ASN A 572 6.932 0.258 8.995 1.00 0.00 O ATOM 615 CB ASN A 572 9.598 -0.674 10.278 1.00 0.00 C ATOM 616 CG ASN A 572 8.920 0.458 11.027 1.00 0.00 C ATOM 617 OD1 ASN A 572 7.872 0.268 11.645 1.00 0.00 O ATOM 618 ND2 ASN A 572 9.517 1.643 10.975 1.00 0.00 N ATOM 0 H ASN A 572 10.359 -2.033 8.298 1.00 0.00 H new ATOM 0 HA ASN A 572 7.935 -1.982 9.903 1.00 0.00 H new ATOM 0 HB2 ASN A 572 9.999 -1.391 10.994 1.00 0.00 H new ATOM 0 HB3 ASN A 572 10.443 -0.279 9.715 1.00 0.00 H new ATOM 0 HD21 ASN A 572 9.108 2.442 11.460 1.00 0.00 H new ATOM 0 HD22 ASN A 572 10.385 1.754 10.451 1.00 0.00 H new ATOM 625 N ALA A 573 8.256 -0.215 7.238 1.00 0.00 N ATOM 626 CA ALA A 573 7.592 0.727 6.345 1.00 0.00 C ATOM 627 C ALA A 573 6.221 0.211 5.922 1.00 0.00 C ATOM 628 O ALA A 573 5.393 0.963 5.408 1.00 0.00 O ATOM 629 CB ALA A 573 8.457 0.994 5.123 1.00 0.00 C ATOM 0 H ALA A 573 9.029 -0.727 6.812 1.00 0.00 H new ATOM 0 HA ALA A 573 7.447 1.662 6.886 1.00 0.00 H new ATOM 0 HB1 ALA A 573 7.949 1.699 4.465 1.00 0.00 H new ATOM 0 HB2 ALA A 573 9.412 1.415 5.438 1.00 0.00 H new ATOM 0 HB3 ALA A 573 8.631 0.060 4.589 1.00 0.00 H new ATOM 635 N VAL A 574 5.987 -1.081 6.141 1.00 0.00 N ATOM 636 CA VAL A 574 4.716 -1.698 5.781 1.00 0.00 C ATOM 637 C VAL A 574 3.835 -1.896 7.011 1.00 0.00 C ATOM 638 O VAL A 574 4.219 -2.581 7.960 1.00 0.00 O ATOM 639 CB VAL A 574 4.929 -3.058 5.091 1.00 0.00 C ATOM 640 CG1 VAL A 574 3.606 -3.796 4.947 1.00 0.00 C ATOM 641 CG2 VAL A 574 5.594 -2.870 3.737 1.00 0.00 C ATOM 0 H VAL A 574 6.661 -1.719 6.565 1.00 0.00 H new ATOM 0 HA VAL A 574 4.219 -1.021 5.086 1.00 0.00 H new ATOM 0 HB VAL A 574 5.589 -3.662 5.713 1.00 0.00 H new ATOM 0 HG11 VAL A 574 3.776 -4.755 4.457 1.00 0.00 H new ATOM 0 HG12 VAL A 574 3.174 -3.964 5.933 1.00 0.00 H new ATOM 0 HG13 VAL A 574 2.920 -3.199 4.347 1.00 0.00 H new ATOM 0 HG21 VAL A 574 5.737 -3.841 3.264 1.00 0.00 H new ATOM 0 HG22 VAL A 574 4.961 -2.248 3.104 1.00 0.00 H new ATOM 0 HG23 VAL A 574 6.561 -2.386 3.871 1.00 0.00 H new ATOM 651 N HIS A 575 2.652 -1.291 6.986 1.00 0.00 N ATOM 652 CA HIS A 575 1.715 -1.402 8.099 1.00 0.00 C ATOM 653 C HIS A 575 0.473 -2.186 7.686 1.00 0.00 C ATOM 654 O HIS A 575 -0.327 -1.720 6.875 1.00 0.00 O ATOM 655 CB HIS A 575 1.313 -0.013 8.594 1.00 0.00 C ATOM 656 CG HIS A 575 2.453 0.770 9.170 1.00 0.00 C ATOM 657 ND1 HIS A 575 2.316 1.618 10.250 1.00 0.00 N ATOM 658 CD2 HIS A 575 3.757 0.831 8.810 1.00 0.00 C ATOM 659 CE1 HIS A 575 3.486 2.165 10.528 1.00 0.00 C ATOM 660 NE2 HIS A 575 4.377 1.704 9.669 1.00 0.00 N ATOM 0 H HIS A 575 2.319 -0.720 6.209 1.00 0.00 H new ATOM 0 HA HIS A 575 2.211 -1.939 8.908 1.00 0.00 H new ATOM 0 HB2 HIS A 575 0.880 0.548 7.766 1.00 0.00 H new ATOM 0 HB3 HIS A 575 0.535 -0.117 9.350 1.00 0.00 H new ATOM 0 HD2 HIS A 575 4.223 0.293 7.998 1.00 0.00 H new ATOM 0 HE1 HIS A 575 3.681 2.870 11.323 1.00 0.00 H new ATOM 0 HE2 HIS A 575 5.365 1.956 9.647 1.00 0.00 H new ATOM 668 N VAL A 576 0.318 -3.380 8.250 1.00 0.00 N ATOM 669 CA VAL A 576 -0.827 -4.228 7.942 1.00 0.00 C ATOM 670 C VAL A 576 -2.033 -3.856 8.796 1.00 0.00 C ATOM 671 O VAL A 576 -1.913 -3.652 10.005 1.00 0.00 O ATOM 672 CB VAL A 576 -0.497 -5.717 8.161 1.00 0.00 C ATOM 673 CG1 VAL A 576 -1.699 -6.586 7.826 1.00 0.00 C ATOM 674 CG2 VAL A 576 0.711 -6.122 7.330 1.00 0.00 C ATOM 0 H VAL A 576 0.971 -3.782 8.923 1.00 0.00 H new ATOM 0 HA VAL A 576 -1.066 -4.066 6.891 1.00 0.00 H new ATOM 0 HB VAL A 576 -0.253 -5.866 9.213 1.00 0.00 H new ATOM 0 HG11 VAL A 576 -1.446 -7.634 7.987 1.00 0.00 H new ATOM 0 HG12 VAL A 576 -2.536 -6.312 8.468 1.00 0.00 H new ATOM 0 HG13 VAL A 576 -1.977 -6.436 6.783 1.00 0.00 H new ATOM 0 HG21 VAL A 576 0.930 -7.177 7.497 1.00 0.00 H new ATOM 0 HG22 VAL A 576 0.497 -5.958 6.274 1.00 0.00 H new ATOM 0 HG23 VAL A 576 1.572 -5.522 7.623 1.00 0.00 H new ATOM 684 N LEU A 577 -3.197 -3.770 8.161 1.00 0.00 N ATOM 685 CA LEU A 577 -4.427 -3.422 8.864 1.00 0.00 C ATOM 686 C LEU A 577 -4.929 -4.597 9.698 1.00 0.00 C ATOM 687 O LEU A 577 -4.891 -5.745 9.258 1.00 0.00 O ATOM 688 CB LEU A 577 -5.505 -2.997 7.864 1.00 0.00 C ATOM 689 CG LEU A 577 -5.389 -1.572 7.319 1.00 0.00 C ATOM 690 CD1 LEU A 577 -6.499 -1.293 6.318 1.00 0.00 C ATOM 691 CD2 LEU A 577 -5.427 -0.561 8.457 1.00 0.00 C ATOM 0 H LEU A 577 -3.315 -3.936 7.162 1.00 0.00 H new ATOM 0 HA LEU A 577 -4.211 -2.590 9.534 1.00 0.00 H new ATOM 0 HB2 LEU A 577 -5.485 -3.689 7.022 1.00 0.00 H new ATOM 0 HB3 LEU A 577 -6.479 -3.104 8.342 1.00 0.00 H new ATOM 0 HG LEU A 577 -4.432 -1.475 6.806 1.00 0.00 H new ATOM 0 HD11 LEU A 577 -6.401 -0.275 5.941 1.00 0.00 H new ATOM 0 HD12 LEU A 577 -6.426 -1.996 5.488 1.00 0.00 H new ATOM 0 HD13 LEU A 577 -7.467 -1.407 6.806 1.00 0.00 H new ATOM 0 HD21 LEU A 577 -5.343 0.447 8.051 1.00 0.00 H new ATOM 0 HD22 LEU A 577 -6.368 -0.657 8.998 1.00 0.00 H new ATOM 0 HD23 LEU A 577 -4.597 -0.748 9.138 1.00 0.00 H new ATOM 703 N VAL A 578 -5.398 -4.300 10.906 1.00 0.00 N ATOM 704 CA VAL A 578 -5.910 -5.329 11.802 1.00 0.00 C ATOM 705 C VAL A 578 -7.015 -4.780 12.698 1.00 0.00 C ATOM 706 O VAL A 578 -7.145 -3.567 12.867 1.00 0.00 O ATOM 707 CB VAL A 578 -4.790 -5.912 12.686 1.00 0.00 C ATOM 708 CG1 VAL A 578 -3.770 -6.654 11.835 1.00 0.00 C ATOM 709 CG2 VAL A 578 -4.123 -4.809 13.494 1.00 0.00 C ATOM 0 H VAL A 578 -5.434 -3.354 11.286 1.00 0.00 H new ATOM 0 HA VAL A 578 -6.317 -6.121 11.173 1.00 0.00 H new ATOM 0 HB VAL A 578 -5.232 -6.624 13.382 1.00 0.00 H new ATOM 0 HG11 VAL A 578 -2.987 -7.059 12.476 1.00 0.00 H new ATOM 0 HG12 VAL A 578 -4.262 -7.469 11.305 1.00 0.00 H new ATOM 0 HG13 VAL A 578 -3.329 -5.966 11.113 1.00 0.00 H new ATOM 0 HG21 VAL A 578 -3.335 -5.237 14.113 1.00 0.00 H new ATOM 0 HG22 VAL A 578 -3.692 -4.071 12.817 1.00 0.00 H new ATOM 0 HG23 VAL A 578 -4.864 -4.327 14.132 1.00 0.00 H new ATOM 719 N ASP A 579 -7.809 -5.680 13.268 1.00 0.00 N ATOM 720 CA ASP A 579 -8.902 -5.286 14.148 1.00 0.00 C ATOM 721 C ASP A 579 -8.695 -5.840 15.554 1.00 0.00 C ATOM 722 O ASP A 579 -7.756 -6.594 15.802 1.00 0.00 O ATOM 723 CB ASP A 579 -10.239 -5.773 13.586 1.00 0.00 C ATOM 724 CG ASP A 579 -11.425 -5.094 14.241 1.00 0.00 C ATOM 725 OD1 ASP A 579 -11.540 -3.857 14.122 1.00 0.00 O ATOM 726 OD2 ASP A 579 -12.237 -5.800 14.875 1.00 0.00 O ATOM 0 H ASP A 579 -7.716 -6.687 13.136 1.00 0.00 H new ATOM 0 HA ASP A 579 -8.915 -4.198 14.204 1.00 0.00 H new ATOM 0 HB2 ASP A 579 -10.267 -5.589 12.512 1.00 0.00 H new ATOM 0 HB3 ASP A 579 -10.318 -6.851 13.727 1.00 0.00 H new ATOM 731 N ASN A 580 -9.579 -5.458 16.471 1.00 0.00 N ATOM 732 CA ASN A 580 -9.492 -5.916 17.853 1.00 0.00 C ATOM 733 C ASN A 580 -9.219 -7.415 17.913 1.00 0.00 C ATOM 734 O ASN A 580 -8.337 -7.867 18.642 1.00 0.00 O ATOM 735 CB ASN A 580 -10.786 -5.591 18.602 1.00 0.00 C ATOM 736 CG ASN A 580 -10.567 -5.439 20.095 1.00 0.00 C ATOM 737 OD1 ASN A 580 -9.569 -4.867 20.532 1.00 0.00 O ATOM 738 ND2 ASN A 580 -11.503 -5.952 20.885 1.00 0.00 N ATOM 0 H ASN A 580 -10.363 -4.833 16.282 1.00 0.00 H new ATOM 0 HA ASN A 580 -8.663 -5.395 18.331 1.00 0.00 H new ATOM 0 HB2 ASN A 580 -11.211 -4.670 18.204 1.00 0.00 H new ATOM 0 HB3 ASN A 580 -11.515 -6.382 18.423 1.00 0.00 H new ATOM 0 HD21 ASN A 580 -11.411 -5.880 21.898 1.00 0.00 H new ATOM 0 HD22 ASN A 580 -12.314 -6.418 20.479 1.00 0.00 H new ATOM 745 N ASN A 581 -9.982 -8.182 17.141 1.00 0.00 N ATOM 746 CA ASN A 581 -9.822 -9.631 17.107 1.00 0.00 C ATOM 747 C ASN A 581 -8.971 -10.056 15.914 1.00 0.00 C ATOM 748 O ASN A 581 -9.176 -11.125 15.341 1.00 0.00 O ATOM 749 CB ASN A 581 -11.190 -10.314 17.040 1.00 0.00 C ATOM 750 CG ASN A 581 -12.113 -9.870 18.159 1.00 0.00 C ATOM 751 OD1 ASN A 581 -11.768 -9.964 19.337 1.00 0.00 O ATOM 752 ND2 ASN A 581 -13.293 -9.384 17.794 1.00 0.00 N ATOM 0 H ASN A 581 -10.717 -7.824 16.531 1.00 0.00 H new ATOM 0 HA ASN A 581 -9.314 -9.937 18.021 1.00 0.00 H new ATOM 0 HB2 ASN A 581 -11.656 -10.094 16.079 1.00 0.00 H new ATOM 0 HB3 ASN A 581 -11.056 -11.395 17.090 1.00 0.00 H new ATOM 0 HD21 ASN A 581 -13.956 -9.070 18.502 1.00 0.00 H new ATOM 0 HD22 ASN A 581 -13.536 -9.325 16.805 1.00 0.00 H new ATOM 759 N GLY A 582 -8.012 -9.211 15.547 1.00 0.00 N ATOM 760 CA GLY A 582 -7.144 -9.517 14.426 1.00 0.00 C ATOM 761 C GLY A 582 -7.884 -10.182 13.283 1.00 0.00 C ATOM 762 O GLY A 582 -7.412 -11.170 12.721 1.00 0.00 O ATOM 0 H GLY A 582 -7.821 -8.320 16.006 1.00 0.00 H new ATOM 0 HA2 GLY A 582 -6.680 -8.598 14.068 1.00 0.00 H new ATOM 0 HA3 GLY A 582 -6.339 -10.170 14.762 1.00 0.00 H new ATOM 766 N GLN A 583 -9.048 -9.640 12.939 1.00 0.00 N ATOM 767 CA GLN A 583 -9.857 -10.189 11.857 1.00 0.00 C ATOM 768 C GLN A 583 -9.062 -10.241 10.556 1.00 0.00 C ATOM 769 O GLN A 583 -8.949 -11.292 9.926 1.00 0.00 O ATOM 770 CB GLN A 583 -11.123 -9.353 11.663 1.00 0.00 C ATOM 771 CG GLN A 583 -12.208 -9.647 12.685 1.00 0.00 C ATOM 772 CD GLN A 583 -13.602 -9.397 12.145 1.00 0.00 C ATOM 773 OE1 GLN A 583 -13.845 -9.515 10.943 1.00 0.00 O ATOM 774 NE2 GLN A 583 -14.528 -9.050 13.031 1.00 0.00 N ATOM 0 H GLN A 583 -9.452 -8.821 13.394 1.00 0.00 H new ATOM 0 HA GLN A 583 -10.141 -11.206 12.129 1.00 0.00 H new ATOM 0 HB2 GLN A 583 -10.862 -8.296 11.716 1.00 0.00 H new ATOM 0 HB3 GLN A 583 -11.518 -9.534 10.663 1.00 0.00 H new ATOM 0 HG2 GLN A 583 -12.128 -10.686 13.006 1.00 0.00 H new ATOM 0 HG3 GLN A 583 -12.048 -9.028 13.567 1.00 0.00 H new ATOM 0 HE21 GLN A 583 -14.283 -8.964 14.017 1.00 0.00 H new ATOM 0 HE22 GLN A 583 -15.484 -8.870 12.725 1.00 0.00 H new ATOM 783 N GLY A 584 -8.511 -9.097 10.158 1.00 0.00 N ATOM 784 CA GLY A 584 -7.735 -9.033 8.935 1.00 0.00 C ATOM 785 C GLY A 584 -8.541 -8.508 7.763 1.00 0.00 C ATOM 786 O GLY A 584 -8.844 -9.247 6.826 1.00 0.00 O ATOM 0 H GLY A 584 -8.589 -8.214 10.662 1.00 0.00 H new ATOM 0 HA2 GLY A 584 -6.868 -8.392 9.092 1.00 0.00 H new ATOM 0 HA3 GLY A 584 -7.357 -10.027 8.696 1.00 0.00 H new ATOM 790 N LEU A 585 -8.892 -7.227 7.816 1.00 0.00 N ATOM 791 CA LEU A 585 -9.670 -6.602 6.751 1.00 0.00 C ATOM 792 C LEU A 585 -9.196 -7.076 5.380 1.00 0.00 C ATOM 793 O LEU A 585 -9.998 -7.277 4.470 1.00 0.00 O ATOM 794 CB LEU A 585 -9.564 -5.079 6.842 1.00 0.00 C ATOM 795 CG LEU A 585 -9.863 -4.466 8.210 1.00 0.00 C ATOM 796 CD1 LEU A 585 -8.594 -4.373 9.042 1.00 0.00 C ATOM 797 CD2 LEU A 585 -10.501 -3.094 8.052 1.00 0.00 C ATOM 0 H LEU A 585 -8.650 -6.601 8.585 1.00 0.00 H new ATOM 0 HA LEU A 585 -10.712 -6.895 6.876 1.00 0.00 H new ATOM 0 HB2 LEU A 585 -8.556 -4.787 6.548 1.00 0.00 H new ATOM 0 HB3 LEU A 585 -10.248 -4.643 6.114 1.00 0.00 H new ATOM 0 HG LEU A 585 -10.568 -5.114 8.731 1.00 0.00 H new ATOM 0 HD11 LEU A 585 -8.826 -3.934 10.012 1.00 0.00 H new ATOM 0 HD12 LEU A 585 -8.179 -5.371 9.185 1.00 0.00 H new ATOM 0 HD13 LEU A 585 -7.866 -3.747 8.526 1.00 0.00 H new ATOM 0 HD21 LEU A 585 -10.707 -2.673 9.036 1.00 0.00 H new ATOM 0 HD22 LEU A 585 -9.821 -2.436 7.511 1.00 0.00 H new ATOM 0 HD23 LEU A 585 -11.433 -3.188 7.495 1.00 0.00 H new ATOM 809 N GLY A 586 -7.885 -7.254 5.242 1.00 0.00 N ATOM 810 CA GLY A 586 -7.327 -7.705 3.981 1.00 0.00 C ATOM 811 C GLY A 586 -6.665 -6.583 3.205 1.00 0.00 C ATOM 812 O GLY A 586 -6.829 -6.480 1.990 1.00 0.00 O ATOM 0 H GLY A 586 -7.200 -7.094 5.981 1.00 0.00 H new ATOM 0 HA2 GLY A 586 -6.596 -8.491 4.171 1.00 0.00 H new ATOM 0 HA3 GLY A 586 -8.118 -8.145 3.374 1.00 0.00 H new ATOM 816 N GLN A 587 -5.918 -5.739 3.911 1.00 0.00 N ATOM 817 CA GLN A 587 -5.233 -4.617 3.281 1.00 0.00 C ATOM 818 C GLN A 587 -3.938 -4.287 4.017 1.00 0.00 C ATOM 819 O GLN A 587 -3.779 -4.619 5.190 1.00 0.00 O ATOM 820 CB GLN A 587 -6.142 -3.388 3.249 1.00 0.00 C ATOM 821 CG GLN A 587 -7.492 -3.647 2.599 1.00 0.00 C ATOM 822 CD GLN A 587 -8.445 -2.477 2.747 1.00 0.00 C ATOM 823 OE1 GLN A 587 -8.197 -1.390 2.225 1.00 0.00 O ATOM 824 NE2 GLN A 587 -9.543 -2.694 3.462 1.00 0.00 N ATOM 0 H GLN A 587 -5.772 -5.811 4.918 1.00 0.00 H new ATOM 0 HA GLN A 587 -4.986 -4.903 2.259 1.00 0.00 H new ATOM 0 HB2 GLN A 587 -6.300 -3.037 4.269 1.00 0.00 H new ATOM 0 HB3 GLN A 587 -5.637 -2.586 2.711 1.00 0.00 H new ATOM 0 HG2 GLN A 587 -7.346 -3.860 1.540 1.00 0.00 H new ATOM 0 HG3 GLN A 587 -7.941 -4.535 3.044 1.00 0.00 H new ATOM 0 HE21 GLN A 587 -9.708 -3.611 3.877 1.00 0.00 H new ATOM 0 HE22 GLN A 587 -10.221 -1.944 3.596 1.00 0.00 H new ATOM 833 N ALA A 588 -3.016 -3.633 3.319 1.00 0.00 N ATOM 834 CA ALA A 588 -1.736 -3.258 3.906 1.00 0.00 C ATOM 835 C ALA A 588 -1.192 -1.985 3.268 1.00 0.00 C ATOM 836 O ALA A 588 -1.362 -1.757 2.069 1.00 0.00 O ATOM 837 CB ALA A 588 -0.735 -4.394 3.761 1.00 0.00 C ATOM 0 H ALA A 588 -3.132 -3.352 2.345 1.00 0.00 H new ATOM 0 HA ALA A 588 -1.894 -3.062 4.967 1.00 0.00 H new ATOM 0 HB1 ALA A 588 0.216 -4.099 4.204 1.00 0.00 H new ATOM 0 HB2 ALA A 588 -1.114 -5.280 4.271 1.00 0.00 H new ATOM 0 HB3 ALA A 588 -0.589 -4.618 2.704 1.00 0.00 H new ATOM 843 N LEU A 589 -0.536 -1.158 4.074 1.00 0.00 N ATOM 844 CA LEU A 589 0.034 0.094 3.588 1.00 0.00 C ATOM 845 C LEU A 589 1.551 -0.011 3.461 1.00 0.00 C ATOM 846 O LEU A 589 2.198 -0.741 4.213 1.00 0.00 O ATOM 847 CB LEU A 589 -0.332 1.243 4.529 1.00 0.00 C ATOM 848 CG LEU A 589 -1.749 1.801 4.387 1.00 0.00 C ATOM 849 CD1 LEU A 589 -2.146 2.574 5.635 1.00 0.00 C ATOM 850 CD2 LEU A 589 -1.852 2.687 3.154 1.00 0.00 C ATOM 0 H LEU A 589 -0.385 -1.332 5.068 1.00 0.00 H new ATOM 0 HA LEU A 589 -0.382 0.295 2.601 1.00 0.00 H new ATOM 0 HB2 LEU A 589 -0.198 0.902 5.556 1.00 0.00 H new ATOM 0 HB3 LEU A 589 0.375 2.057 4.369 1.00 0.00 H new ATOM 0 HG LEU A 589 -2.438 0.965 4.268 1.00 0.00 H new ATOM 0 HD11 LEU A 589 -3.157 2.963 5.516 1.00 0.00 H new ATOM 0 HD12 LEU A 589 -2.112 1.911 6.500 1.00 0.00 H new ATOM 0 HD13 LEU A 589 -1.454 3.402 5.786 1.00 0.00 H new ATOM 0 HD21 LEU A 589 -2.867 3.075 3.069 1.00 0.00 H new ATOM 0 HD22 LEU A 589 -1.152 3.518 3.243 1.00 0.00 H new ATOM 0 HD23 LEU A 589 -1.611 2.103 2.265 1.00 0.00 H new ATOM 862 N VAL A 590 2.112 0.723 2.506 1.00 0.00 N ATOM 863 CA VAL A 590 3.553 0.716 2.283 1.00 0.00 C ATOM 864 C VAL A 590 4.101 2.135 2.185 1.00 0.00 C ATOM 865 O VAL A 590 3.662 2.922 1.347 1.00 0.00 O ATOM 866 CB VAL A 590 3.918 -0.055 1.001 1.00 0.00 C ATOM 867 CG1 VAL A 590 5.428 -0.151 0.846 1.00 0.00 C ATOM 868 CG2 VAL A 590 3.286 -1.439 1.012 1.00 0.00 C ATOM 0 H VAL A 590 1.591 1.330 1.874 1.00 0.00 H new ATOM 0 HA VAL A 590 4.004 0.215 3.140 1.00 0.00 H new ATOM 0 HB VAL A 590 3.523 0.493 0.145 1.00 0.00 H new ATOM 0 HG11 VAL A 590 5.666 -0.699 -0.066 1.00 0.00 H new ATOM 0 HG12 VAL A 590 5.852 0.851 0.788 1.00 0.00 H new ATOM 0 HG13 VAL A 590 5.849 -0.674 1.704 1.00 0.00 H new ATOM 0 HG21 VAL A 590 3.555 -1.969 0.098 1.00 0.00 H new ATOM 0 HG22 VAL A 590 3.648 -1.997 1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 590 2.202 -1.343 1.070 1.00 0.00 H new ATOM 878 N GLN A 591 5.063 2.453 3.044 1.00 0.00 N ATOM 879 CA GLN A 591 5.671 3.778 3.054 1.00 0.00 C ATOM 880 C GLN A 591 7.076 3.735 2.462 1.00 0.00 C ATOM 881 O GLN A 591 7.882 2.873 2.810 1.00 0.00 O ATOM 882 CB GLN A 591 5.723 4.328 4.480 1.00 0.00 C ATOM 883 CG GLN A 591 5.968 5.827 4.545 1.00 0.00 C ATOM 884 CD GLN A 591 6.702 6.245 5.805 1.00 0.00 C ATOM 885 OE1 GLN A 591 7.833 6.727 5.746 1.00 0.00 O ATOM 886 NE2 GLN A 591 6.061 6.060 6.953 1.00 0.00 N ATOM 0 H GLN A 591 5.438 1.811 3.742 1.00 0.00 H new ATOM 0 HA GLN A 591 5.057 4.437 2.440 1.00 0.00 H new ATOM 0 HB2 GLN A 591 4.783 4.100 4.983 1.00 0.00 H new ATOM 0 HB3 GLN A 591 6.512 3.815 5.030 1.00 0.00 H new ATOM 0 HG2 GLN A 591 6.546 6.135 3.674 1.00 0.00 H new ATOM 0 HG3 GLN A 591 5.013 6.350 4.495 1.00 0.00 H new ATOM 0 HE21 GLN A 591 5.124 5.657 6.955 1.00 0.00 H new ATOM 0 HE22 GLN A 591 6.506 6.321 7.833 1.00 0.00 H new ATOM 895 N PHE A 592 7.362 4.674 1.564 1.00 0.00 N ATOM 896 CA PHE A 592 8.669 4.743 0.922 1.00 0.00 C ATOM 897 C PHE A 592 9.344 6.082 1.204 1.00 0.00 C ATOM 898 O PHE A 592 8.677 7.095 1.410 1.00 0.00 O ATOM 899 CB PHE A 592 8.531 4.537 -0.588 1.00 0.00 C ATOM 900 CG PHE A 592 7.863 3.244 -0.958 1.00 0.00 C ATOM 901 CD1 PHE A 592 8.552 2.045 -0.875 1.00 0.00 C ATOM 902 CD2 PHE A 592 6.547 3.227 -1.391 1.00 0.00 C ATOM 903 CE1 PHE A 592 7.941 0.852 -1.213 1.00 0.00 C ATOM 904 CE2 PHE A 592 5.931 2.037 -1.731 1.00 0.00 C ATOM 905 CZ PHE A 592 6.629 0.848 -1.644 1.00 0.00 C ATOM 0 H PHE A 592 6.706 5.396 1.266 1.00 0.00 H new ATOM 0 HA PHE A 592 9.291 3.949 1.335 1.00 0.00 H new ATOM 0 HB2 PHE A 592 7.960 5.365 -1.009 1.00 0.00 H new ATOM 0 HB3 PHE A 592 9.521 4.568 -1.043 1.00 0.00 H new ATOM 0 HD1 PHE A 592 9.579 2.042 -0.542 1.00 0.00 H new ATOM 0 HD2 PHE A 592 5.997 4.153 -1.464 1.00 0.00 H new ATOM 0 HE1 PHE A 592 8.489 -0.076 -1.140 1.00 0.00 H new ATOM 0 HE2 PHE A 592 4.904 2.037 -2.065 1.00 0.00 H new ATOM 0 HZ PHE A 592 6.150 -0.082 -1.912 1.00 0.00 H new ATOM 915 N LYS A 593 10.673 6.079 1.212 1.00 0.00 N ATOM 916 CA LYS A 593 11.440 7.292 1.469 1.00 0.00 C ATOM 917 C LYS A 593 11.066 8.391 0.480 1.00 0.00 C ATOM 918 O LYS A 593 10.708 9.499 0.876 1.00 0.00 O ATOM 919 CB LYS A 593 12.939 6.999 1.380 1.00 0.00 C ATOM 920 CG LYS A 593 13.462 6.147 2.523 1.00 0.00 C ATOM 921 CD LYS A 593 13.722 6.980 3.767 1.00 0.00 C ATOM 922 CE LYS A 593 14.137 6.110 4.944 1.00 0.00 C ATOM 923 NZ LYS A 593 13.787 6.738 6.248 1.00 0.00 N ATOM 0 H LYS A 593 11.241 5.249 1.043 1.00 0.00 H new ATOM 0 HA LYS A 593 11.202 7.637 2.475 1.00 0.00 H new ATOM 0 HB2 LYS A 593 13.146 6.493 0.437 1.00 0.00 H new ATOM 0 HB3 LYS A 593 13.484 7.943 1.362 1.00 0.00 H new ATOM 0 HG2 LYS A 593 12.740 5.363 2.753 1.00 0.00 H new ATOM 0 HG3 LYS A 593 14.383 5.652 2.217 1.00 0.00 H new ATOM 0 HD2 LYS A 593 14.504 7.711 3.560 1.00 0.00 H new ATOM 0 HD3 LYS A 593 12.823 7.540 4.026 1.00 0.00 H new ATOM 0 HE2 LYS A 593 13.650 5.138 4.867 1.00 0.00 H new ATOM 0 HE3 LYS A 593 15.212 5.932 4.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 14.086 6.115 7.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 14.272 7.654 6.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 12.759 6.884 6.298 1.00 0.00 H new ATOM 937 N ASN A 594 11.149 8.075 -0.808 1.00 0.00 N ATOM 938 CA ASN A 594 10.818 9.037 -1.854 1.00 0.00 C ATOM 939 C ASN A 594 10.100 8.353 -3.014 1.00 0.00 C ATOM 940 O ASN A 594 10.019 7.127 -3.070 1.00 0.00 O ATOM 941 CB ASN A 594 12.086 9.728 -2.360 1.00 0.00 C ATOM 942 CG ASN A 594 12.669 10.686 -1.339 1.00 0.00 C ATOM 943 OD1 ASN A 594 12.055 11.697 -0.999 1.00 0.00 O ATOM 944 ND2 ASN A 594 13.862 10.372 -0.848 1.00 0.00 N ATOM 0 H ASN A 594 11.442 7.161 -1.153 1.00 0.00 H new ATOM 0 HA ASN A 594 10.150 9.785 -1.427 1.00 0.00 H new ATOM 0 HB2 ASN A 594 12.831 8.974 -2.613 1.00 0.00 H new ATOM 0 HB3 ASN A 594 11.859 10.272 -3.277 1.00 0.00 H new ATOM 0 HD21 ASN A 594 14.306 10.980 -0.160 1.00 0.00 H new ATOM 0 HD22 ASN A 594 14.334 9.523 -1.159 1.00 0.00 H new ATOM 951 N GLU A 595 9.582 9.157 -3.938 1.00 0.00 N ATOM 952 CA GLU A 595 8.871 8.629 -5.096 1.00 0.00 C ATOM 953 C GLU A 595 9.688 7.543 -5.789 1.00 0.00 C ATOM 954 O GLU A 595 9.139 6.571 -6.307 1.00 0.00 O ATOM 955 CB GLU A 595 8.555 9.753 -6.084 1.00 0.00 C ATOM 956 CG GLU A 595 7.709 10.867 -5.488 1.00 0.00 C ATOM 957 CD GLU A 595 7.409 11.969 -6.487 1.00 0.00 C ATOM 958 OE1 GLU A 595 6.714 11.690 -7.486 1.00 0.00 O ATOM 959 OE2 GLU A 595 7.870 13.110 -6.269 1.00 0.00 O ATOM 0 H GLU A 595 9.642 10.175 -3.907 1.00 0.00 H new ATOM 0 HA GLU A 595 7.937 8.189 -4.746 1.00 0.00 H new ATOM 0 HB2 GLU A 595 9.490 10.175 -6.452 1.00 0.00 H new ATOM 0 HB3 GLU A 595 8.034 9.333 -6.945 1.00 0.00 H new ATOM 0 HG2 GLU A 595 6.772 10.450 -5.121 1.00 0.00 H new ATOM 0 HG3 GLU A 595 8.227 11.292 -4.628 1.00 0.00 H new ATOM 966 N ASP A 596 11.005 7.717 -5.795 1.00 0.00 N ATOM 967 CA ASP A 596 11.902 6.753 -6.423 1.00 0.00 C ATOM 968 C ASP A 596 11.440 5.325 -6.149 1.00 0.00 C ATOM 969 O ASP A 596 11.511 4.461 -7.023 1.00 0.00 O ATOM 970 CB ASP A 596 13.331 6.946 -5.915 1.00 0.00 C ATOM 971 CG ASP A 596 13.587 6.214 -4.613 1.00 0.00 C ATOM 972 OD1 ASP A 596 12.887 6.507 -3.620 1.00 0.00 O ATOM 973 OD2 ASP A 596 14.486 5.348 -4.585 1.00 0.00 O ATOM 0 H ASP A 596 11.476 8.517 -5.372 1.00 0.00 H new ATOM 0 HA ASP A 596 11.883 6.923 -7.499 1.00 0.00 H new ATOM 0 HB2 ASP A 596 14.033 6.593 -6.671 1.00 0.00 H new ATOM 0 HB3 ASP A 596 13.523 8.010 -5.774 1.00 0.00 H new ATOM 978 N ASP A 597 10.969 5.084 -4.931 1.00 0.00 N ATOM 979 CA ASP A 597 10.497 3.760 -4.542 1.00 0.00 C ATOM 980 C ASP A 597 8.982 3.659 -4.689 1.00 0.00 C ATOM 981 O ASP A 597 8.437 2.571 -4.875 1.00 0.00 O ATOM 982 CB ASP A 597 10.903 3.453 -3.099 1.00 0.00 C ATOM 983 CG ASP A 597 12.277 2.821 -3.007 1.00 0.00 C ATOM 984 OD1 ASP A 597 13.144 3.158 -3.842 1.00 0.00 O ATOM 985 OD2 ASP A 597 12.488 1.990 -2.099 1.00 0.00 O ATOM 0 H ASP A 597 10.904 5.788 -4.196 1.00 0.00 H new ATOM 0 HA ASP A 597 10.959 3.028 -5.204 1.00 0.00 H new ATOM 0 HB2 ASP A 597 10.890 4.375 -2.517 1.00 0.00 H new ATOM 0 HB3 ASP A 597 10.168 2.784 -2.652 1.00 0.00 H new ATOM 990 N ALA A 598 8.306 4.801 -4.604 1.00 0.00 N ATOM 991 CA ALA A 598 6.855 4.841 -4.728 1.00 0.00 C ATOM 992 C ALA A 598 6.410 4.381 -6.113 1.00 0.00 C ATOM 993 O ALA A 598 5.607 3.457 -6.242 1.00 0.00 O ATOM 994 CB ALA A 598 6.339 6.244 -4.446 1.00 0.00 C ATOM 0 H ALA A 598 8.741 5.711 -4.450 1.00 0.00 H new ATOM 0 HA ALA A 598 6.433 4.156 -3.992 1.00 0.00 H new ATOM 0 HB1 ALA A 598 5.253 6.259 -4.542 1.00 0.00 H new ATOM 0 HB2 ALA A 598 6.617 6.537 -3.434 1.00 0.00 H new ATOM 0 HB3 ALA A 598 6.776 6.943 -5.159 1.00 0.00 H new ATOM 1000 N ARG A 599 6.935 5.032 -7.145 1.00 0.00 N ATOM 1001 CA ARG A 599 6.591 4.691 -8.520 1.00 0.00 C ATOM 1002 C ARG A 599 6.823 3.207 -8.787 1.00 0.00 C ATOM 1003 O ARG A 599 6.284 2.644 -9.739 1.00 0.00 O ATOM 1004 CB ARG A 599 7.413 5.531 -9.499 1.00 0.00 C ATOM 1005 CG ARG A 599 7.171 7.027 -9.372 1.00 0.00 C ATOM 1006 CD ARG A 599 7.691 7.780 -10.585 1.00 0.00 C ATOM 1007 NE ARG A 599 7.116 9.119 -10.686 1.00 0.00 N ATOM 1008 CZ ARG A 599 7.436 9.986 -11.640 1.00 0.00 C ATOM 1009 NH1 ARG A 599 8.320 9.656 -12.572 1.00 0.00 N ATOM 1010 NH2 ARG A 599 6.870 11.186 -11.665 1.00 0.00 N ATOM 0 H ARG A 599 7.601 5.799 -7.055 1.00 0.00 H new ATOM 0 HA ARG A 599 5.533 4.908 -8.667 1.00 0.00 H new ATOM 0 HB2 ARG A 599 8.472 5.328 -9.338 1.00 0.00 H new ATOM 0 HB3 ARG A 599 7.180 5.219 -10.517 1.00 0.00 H new ATOM 0 HG2 ARG A 599 6.104 7.215 -9.255 1.00 0.00 H new ATOM 0 HG3 ARG A 599 7.661 7.401 -8.473 1.00 0.00 H new ATOM 0 HD2 ARG A 599 8.777 7.855 -10.527 1.00 0.00 H new ATOM 0 HD3 ARG A 599 7.458 7.217 -11.489 1.00 0.00 H new ATOM 0 HE ARG A 599 6.431 9.404 -9.986 1.00 0.00 H new ATOM 0 HH11 ARG A 599 8.756 8.734 -12.558 1.00 0.00 H new ATOM 0 HH12 ARG A 599 8.564 10.324 -13.303 1.00 0.00 H new ATOM 0 HH21 ARG A 599 6.188 11.443 -10.951 1.00 0.00 H new ATOM 0 HH22 ARG A 599 7.117 11.851 -12.398 1.00 0.00 H new ATOM 1024 N LYS A 600 7.629 2.578 -7.938 1.00 0.00 N ATOM 1025 CA LYS A 600 7.934 1.159 -8.080 1.00 0.00 C ATOM 1026 C LYS A 600 6.798 0.301 -7.531 1.00 0.00 C ATOM 1027 O LYS A 600 6.452 -0.730 -8.107 1.00 0.00 O ATOM 1028 CB LYS A 600 9.239 0.822 -7.355 1.00 0.00 C ATOM 1029 CG LYS A 600 10.439 1.594 -7.873 1.00 0.00 C ATOM 1030 CD LYS A 600 11.742 0.882 -7.549 1.00 0.00 C ATOM 1031 CE LYS A 600 12.302 1.325 -6.207 1.00 0.00 C ATOM 1032 NZ LYS A 600 13.545 0.586 -5.853 1.00 0.00 N ATOM 0 H LYS A 600 8.083 3.029 -7.144 1.00 0.00 H new ATOM 0 HA LYS A 600 8.049 0.942 -9.142 1.00 0.00 H new ATOM 0 HB2 LYS A 600 9.117 1.027 -6.291 1.00 0.00 H new ATOM 0 HB3 LYS A 600 9.434 -0.246 -7.454 1.00 0.00 H new ATOM 0 HG2 LYS A 600 10.352 1.723 -8.952 1.00 0.00 H new ATOM 0 HG3 LYS A 600 10.449 2.591 -7.433 1.00 0.00 H new ATOM 0 HD2 LYS A 600 11.576 -0.195 -7.537 1.00 0.00 H new ATOM 0 HD3 LYS A 600 12.472 1.083 -8.333 1.00 0.00 H new ATOM 0 HE2 LYS A 600 12.511 2.394 -6.236 1.00 0.00 H new ATOM 0 HE3 LYS A 600 11.553 1.168 -5.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 600 13.895 0.917 -4.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 600 13.340 -0.432 -5.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 600 14.269 0.756 -6.580 1.00 0.00 H new ATOM 1046 N SER A 601 6.220 0.735 -6.415 1.00 0.00 N ATOM 1047 CA SER A 601 5.125 0.006 -5.787 1.00 0.00 C ATOM 1048 C SER A 601 3.870 0.060 -6.653 1.00 0.00 C ATOM 1049 O SER A 601 3.076 -0.881 -6.674 1.00 0.00 O ATOM 1050 CB SER A 601 4.828 0.583 -4.402 1.00 0.00 C ATOM 1051 OG SER A 601 3.957 1.698 -4.490 1.00 0.00 O ATOM 0 H SER A 601 6.492 1.588 -5.927 1.00 0.00 H new ATOM 0 HA SER A 601 5.428 -1.036 -5.681 1.00 0.00 H new ATOM 0 HB2 SER A 601 4.378 -0.185 -3.773 1.00 0.00 H new ATOM 0 HB3 SER A 601 5.760 0.882 -3.922 1.00 0.00 H new ATOM 0 HG SER A 601 4.360 2.383 -5.063 1.00 0.00 H new ATOM 1057 N GLU A 602 3.698 1.168 -7.368 1.00 0.00 N ATOM 1058 CA GLU A 602 2.540 1.346 -8.235 1.00 0.00 C ATOM 1059 C GLU A 602 2.701 0.551 -9.527 1.00 0.00 C ATOM 1060 O GLU A 602 1.716 0.161 -10.156 1.00 0.00 O ATOM 1061 CB GLU A 602 2.338 2.827 -8.557 1.00 0.00 C ATOM 1062 CG GLU A 602 3.094 3.291 -9.791 1.00 0.00 C ATOM 1063 CD GLU A 602 2.445 2.826 -11.080 1.00 0.00 C ATOM 1064 OE1 GLU A 602 1.209 2.655 -11.096 1.00 0.00 O ATOM 1065 OE2 GLU A 602 3.176 2.635 -12.076 1.00 0.00 O ATOM 0 H GLU A 602 4.346 1.955 -7.363 1.00 0.00 H new ATOM 0 HA GLU A 602 1.662 0.974 -7.706 1.00 0.00 H new ATOM 0 HB2 GLU A 602 1.274 3.017 -8.700 1.00 0.00 H new ATOM 0 HB3 GLU A 602 2.656 3.423 -7.701 1.00 0.00 H new ATOM 0 HG2 GLU A 602 3.152 4.379 -9.789 1.00 0.00 H new ATOM 0 HG3 GLU A 602 4.117 2.917 -9.748 1.00 0.00 H new ATOM 1072 N ARG A 603 3.949 0.313 -9.918 1.00 0.00 N ATOM 1073 CA ARG A 603 4.240 -0.434 -11.136 1.00 0.00 C ATOM 1074 C ARG A 603 3.729 -1.868 -11.029 1.00 0.00 C ATOM 1075 O ARG A 603 3.416 -2.504 -12.036 1.00 0.00 O ATOM 1076 CB ARG A 603 5.744 -0.435 -11.411 1.00 0.00 C ATOM 1077 CG ARG A 603 6.094 -0.538 -12.886 1.00 0.00 C ATOM 1078 CD ARG A 603 6.238 -1.988 -13.325 1.00 0.00 C ATOM 1079 NE ARG A 603 6.138 -2.134 -14.775 1.00 0.00 N ATOM 1080 CZ ARG A 603 4.985 -2.139 -15.434 1.00 0.00 C ATOM 1081 NH1 ARG A 603 3.840 -2.007 -14.778 1.00 0.00 N ATOM 1082 NH2 ARG A 603 4.975 -2.277 -16.754 1.00 0.00 N ATOM 0 H ARG A 603 4.775 0.627 -9.409 1.00 0.00 H new ATOM 0 HA ARG A 603 3.727 0.055 -11.964 1.00 0.00 H new ATOM 0 HB2 ARG A 603 6.179 0.479 -11.006 1.00 0.00 H new ATOM 0 HB3 ARG A 603 6.201 -1.269 -10.879 1.00 0.00 H new ATOM 0 HG2 ARG A 603 5.320 -0.052 -13.480 1.00 0.00 H new ATOM 0 HG3 ARG A 603 7.025 -0.004 -13.078 1.00 0.00 H new ATOM 0 HD2 ARG A 603 7.199 -2.375 -12.987 1.00 0.00 H new ATOM 0 HD3 ARG A 603 5.466 -2.590 -12.846 1.00 0.00 H new ATOM 0 HE ARG A 603 7.000 -2.238 -15.310 1.00 0.00 H new ATOM 0 HH11 ARG A 603 3.843 -1.901 -13.764 1.00 0.00 H new ATOM 0 HH12 ARG A 603 2.957 -2.011 -15.288 1.00 0.00 H new ATOM 0 HH21 ARG A 603 5.853 -2.379 -17.263 1.00 0.00 H new ATOM 0 HH22 ARG A 603 4.089 -2.281 -17.260 1.00 0.00 H new ATOM 1096 N LEU A 604 3.649 -2.371 -9.802 1.00 0.00 N ATOM 1097 CA LEU A 604 3.177 -3.731 -9.563 1.00 0.00 C ATOM 1098 C LEU A 604 1.652 -3.786 -9.558 1.00 0.00 C ATOM 1099 O LEU A 604 1.059 -4.800 -9.190 1.00 0.00 O ATOM 1100 CB LEU A 604 3.722 -4.255 -8.233 1.00 0.00 C ATOM 1101 CG LEU A 604 5.217 -4.582 -8.203 1.00 0.00 C ATOM 1102 CD1 LEU A 604 5.661 -4.914 -6.788 1.00 0.00 C ATOM 1103 CD2 LEU A 604 5.529 -5.734 -9.147 1.00 0.00 C ATOM 0 H LEU A 604 3.904 -1.858 -8.958 1.00 0.00 H new ATOM 0 HA LEU A 604 3.542 -4.363 -10.373 1.00 0.00 H new ATOM 0 HB2 LEU A 604 3.517 -3.513 -7.461 1.00 0.00 H new ATOM 0 HB3 LEU A 604 3.168 -5.155 -7.965 1.00 0.00 H new ATOM 0 HG LEU A 604 5.769 -3.704 -8.538 1.00 0.00 H new ATOM 0 HD11 LEU A 604 6.726 -5.144 -6.785 1.00 0.00 H new ATOM 0 HD12 LEU A 604 5.473 -4.060 -6.138 1.00 0.00 H new ATOM 0 HD13 LEU A 604 5.103 -5.777 -6.425 1.00 0.00 H new ATOM 0 HD21 LEU A 604 6.596 -5.953 -9.113 1.00 0.00 H new ATOM 0 HD22 LEU A 604 4.967 -6.617 -8.842 1.00 0.00 H new ATOM 0 HD23 LEU A 604 5.247 -5.458 -10.163 1.00 0.00 H new ATOM 1115 N HIS A 605 1.024 -2.688 -9.967 1.00 0.00 N ATOM 1116 CA HIS A 605 -0.431 -2.611 -10.012 1.00 0.00 C ATOM 1117 C HIS A 605 -1.008 -3.734 -10.869 1.00 0.00 C ATOM 1118 O HIS A 605 -0.397 -4.155 -11.852 1.00 0.00 O ATOM 1119 CB HIS A 605 -0.875 -1.255 -10.560 1.00 0.00 C ATOM 1120 CG HIS A 605 -2.360 -1.064 -10.554 1.00 0.00 C ATOM 1121 ND1 HIS A 605 -3.178 -1.553 -9.558 1.00 0.00 N ATOM 1122 CD2 HIS A 605 -3.176 -0.431 -11.430 1.00 0.00 C ATOM 1123 CE1 HIS A 605 -4.433 -1.231 -9.822 1.00 0.00 C ATOM 1124 NE2 HIS A 605 -4.457 -0.549 -10.953 1.00 0.00 N ATOM 0 H HIS A 605 1.501 -1.839 -10.272 1.00 0.00 H new ATOM 0 HA HIS A 605 -0.808 -2.724 -8.995 1.00 0.00 H new ATOM 0 HB2 HIS A 605 -0.413 -0.464 -9.969 1.00 0.00 H new ATOM 0 HB3 HIS A 605 -0.507 -1.147 -11.580 1.00 0.00 H new ATOM 0 HD2 HIS A 605 -2.874 0.073 -12.336 1.00 0.00 H new ATOM 0 HE1 HIS A 605 -5.291 -1.483 -9.217 1.00 0.00 H new ATOM 0 HE2 HIS A 605 -5.293 -0.171 -11.399 1.00 0.00 H new ATOM 1132 N ARG A 606 -2.188 -4.214 -10.492 1.00 0.00 N ATOM 1133 CA ARG A 606 -2.847 -5.287 -11.225 1.00 0.00 C ATOM 1134 C ARG A 606 -1.969 -6.535 -11.266 1.00 0.00 C ATOM 1135 O ARG A 606 -1.728 -7.104 -12.332 1.00 0.00 O ATOM 1136 CB ARG A 606 -3.175 -4.835 -12.649 1.00 0.00 C ATOM 1137 CG ARG A 606 -4.146 -3.667 -12.707 1.00 0.00 C ATOM 1138 CD ARG A 606 -4.449 -3.265 -14.142 1.00 0.00 C ATOM 1139 NE ARG A 606 -3.463 -2.324 -14.667 1.00 0.00 N ATOM 1140 CZ ARG A 606 -3.283 -2.095 -15.964 1.00 0.00 C ATOM 1141 NH1 ARG A 606 -4.018 -2.735 -16.862 1.00 0.00 N ATOM 1142 NH2 ARG A 606 -2.366 -1.223 -16.363 1.00 0.00 N ATOM 0 H ARG A 606 -2.708 -3.876 -9.682 1.00 0.00 H new ATOM 0 HA ARG A 606 -3.774 -5.531 -10.706 1.00 0.00 H new ATOM 0 HB2 ARG A 606 -2.251 -4.554 -13.154 1.00 0.00 H new ATOM 0 HB3 ARG A 606 -3.597 -5.675 -13.200 1.00 0.00 H new ATOM 0 HG2 ARG A 606 -5.073 -3.937 -12.200 1.00 0.00 H new ATOM 0 HG3 ARG A 606 -3.726 -2.816 -12.171 1.00 0.00 H new ATOM 0 HD2 ARG A 606 -4.471 -4.155 -14.771 1.00 0.00 H new ATOM 0 HD3 ARG A 606 -5.441 -2.816 -14.191 1.00 0.00 H new ATOM 0 HE ARG A 606 -2.881 -1.815 -14.002 1.00 0.00 H new ATOM 0 HH11 ARG A 606 -4.724 -3.406 -16.559 1.00 0.00 H new ATOM 0 HH12 ARG A 606 -3.877 -2.557 -17.856 1.00 0.00 H new ATOM 0 HH21 ARG A 606 -1.799 -0.728 -15.674 1.00 0.00 H new ATOM 0 HH22 ARG A 606 -2.228 -1.047 -17.358 1.00 0.00 H new ATOM 1156 N LYS A 607 -1.491 -6.955 -10.100 1.00 0.00 N ATOM 1157 CA LYS A 607 -0.640 -8.135 -10.002 1.00 0.00 C ATOM 1158 C LYS A 607 -1.415 -9.319 -9.432 1.00 0.00 C ATOM 1159 O LYS A 607 -2.506 -9.155 -8.886 1.00 0.00 O ATOM 1160 CB LYS A 607 0.577 -7.840 -9.123 1.00 0.00 C ATOM 1161 CG LYS A 607 1.760 -7.275 -9.892 1.00 0.00 C ATOM 1162 CD LYS A 607 2.568 -8.376 -10.558 1.00 0.00 C ATOM 1163 CE LYS A 607 3.540 -7.811 -11.583 1.00 0.00 C ATOM 1164 NZ LYS A 607 3.992 -8.850 -12.550 1.00 0.00 N ATOM 0 H LYS A 607 -1.679 -6.496 -9.209 1.00 0.00 H new ATOM 0 HA LYS A 607 -0.302 -8.393 -11.006 1.00 0.00 H new ATOM 0 HB2 LYS A 607 0.290 -7.134 -8.344 1.00 0.00 H new ATOM 0 HB3 LYS A 607 0.885 -8.758 -8.623 1.00 0.00 H new ATOM 0 HG2 LYS A 607 1.403 -6.576 -10.648 1.00 0.00 H new ATOM 0 HG3 LYS A 607 2.401 -6.711 -9.214 1.00 0.00 H new ATOM 0 HD2 LYS A 607 3.119 -8.933 -9.801 1.00 0.00 H new ATOM 0 HD3 LYS A 607 1.893 -9.081 -11.044 1.00 0.00 H new ATOM 0 HE2 LYS A 607 3.063 -6.994 -12.124 1.00 0.00 H new ATOM 0 HE3 LYS A 607 4.405 -7.391 -11.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 607 4.653 -8.426 -13.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 607 4.470 -9.618 -12.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 607 3.169 -9.233 -13.058 1.00 0.00 H new ATOM 1178 N LYS A 608 -0.844 -10.511 -9.562 1.00 0.00 N ATOM 1179 CA LYS A 608 -1.479 -11.723 -9.058 1.00 0.00 C ATOM 1180 C LYS A 608 -0.792 -12.209 -7.785 1.00 0.00 C ATOM 1181 O LYS A 608 0.355 -12.657 -7.819 1.00 0.00 O ATOM 1182 CB LYS A 608 -1.443 -12.823 -10.121 1.00 0.00 C ATOM 1183 CG LYS A 608 -2.212 -12.475 -11.383 1.00 0.00 C ATOM 1184 CD LYS A 608 -2.123 -13.586 -12.415 1.00 0.00 C ATOM 1185 CE LYS A 608 -2.539 -13.099 -13.795 1.00 0.00 C ATOM 1186 NZ LYS A 608 -1.386 -12.545 -14.559 1.00 0.00 N ATOM 0 H LYS A 608 0.058 -10.664 -10.012 1.00 0.00 H new ATOM 0 HA LYS A 608 -2.517 -11.488 -8.823 1.00 0.00 H new ATOM 0 HB2 LYS A 608 -0.405 -13.029 -10.383 1.00 0.00 H new ATOM 0 HB3 LYS A 608 -1.853 -13.740 -9.697 1.00 0.00 H new ATOM 0 HG2 LYS A 608 -3.257 -12.291 -11.134 1.00 0.00 H new ATOM 0 HG3 LYS A 608 -1.818 -11.551 -11.807 1.00 0.00 H new ATOM 0 HD2 LYS A 608 -1.102 -13.966 -12.455 1.00 0.00 H new ATOM 0 HD3 LYS A 608 -2.761 -14.416 -12.113 1.00 0.00 H new ATOM 0 HE2 LYS A 608 -2.982 -13.924 -14.353 1.00 0.00 H new ATOM 0 HE3 LYS A 608 -3.309 -12.334 -13.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 608 -1.711 -12.224 -15.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 608 -0.979 -11.741 -14.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 608 -0.662 -13.282 -14.678 1.00 0.00 H new ATOM 1200 N LEU A 609 -1.501 -12.120 -6.665 1.00 0.00 N ATOM 1201 CA LEU A 609 -0.960 -12.552 -5.381 1.00 0.00 C ATOM 1202 C LEU A 609 -1.720 -13.763 -4.849 1.00 0.00 C ATOM 1203 O LEU A 609 -2.903 -13.671 -4.525 1.00 0.00 O ATOM 1204 CB LEU A 609 -1.025 -11.409 -4.367 1.00 0.00 C ATOM 1205 CG LEU A 609 -0.097 -11.529 -3.159 1.00 0.00 C ATOM 1206 CD1 LEU A 609 -0.078 -10.231 -2.368 1.00 0.00 C ATOM 1207 CD2 LEU A 609 -0.522 -12.690 -2.272 1.00 0.00 C ATOM 0 H LEU A 609 -2.452 -11.753 -6.620 1.00 0.00 H new ATOM 0 HA LEU A 609 0.081 -12.837 -5.531 1.00 0.00 H new ATOM 0 HB2 LEU A 609 -0.796 -10.478 -4.885 1.00 0.00 H new ATOM 0 HB3 LEU A 609 -2.050 -11.329 -4.006 1.00 0.00 H new ATOM 0 HG LEU A 609 0.913 -11.725 -3.520 1.00 0.00 H new ATOM 0 HD11 LEU A 609 0.588 -10.336 -1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 609 0.276 -9.421 -3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 609 -1.085 -10.003 -2.018 1.00 0.00 H new ATOM 0 HD21 LEU A 609 0.150 -12.760 -1.417 1.00 0.00 H new ATOM 0 HD22 LEU A 609 -1.540 -12.525 -1.920 1.00 0.00 H new ATOM 0 HD23 LEU A 609 -0.481 -13.618 -2.843 1.00 0.00 H new ATOM 1219 N ASN A 610 -1.031 -14.896 -4.762 1.00 0.00 N ATOM 1220 CA ASN A 610 -1.641 -16.125 -4.268 1.00 0.00 C ATOM 1221 C ASN A 610 -2.804 -16.552 -5.159 1.00 0.00 C ATOM 1222 O ASN A 610 -3.733 -17.220 -4.707 1.00 0.00 O ATOM 1223 CB ASN A 610 -2.129 -15.935 -2.830 1.00 0.00 C ATOM 1224 CG ASN A 610 -1.023 -16.142 -1.813 1.00 0.00 C ATOM 1225 OD1 ASN A 610 0.114 -16.449 -2.168 1.00 0.00 O ATOM 1226 ND2 ASN A 610 -1.354 -15.974 -0.538 1.00 0.00 N ATOM 0 H ASN A 610 -0.050 -14.989 -5.027 1.00 0.00 H new ATOM 0 HA ASN A 610 -0.884 -16.909 -4.287 1.00 0.00 H new ATOM 0 HB2 ASN A 610 -2.539 -14.931 -2.718 1.00 0.00 H new ATOM 0 HB3 ASN A 610 -2.940 -16.635 -2.629 1.00 0.00 H new ATOM 0 HD21 ASN A 610 -0.653 -16.100 0.192 1.00 0.00 H new ATOM 0 HD22 ASN A 610 -2.310 -15.719 -0.288 1.00 0.00 H new ATOM 1233 N GLY A 611 -2.745 -16.161 -6.428 1.00 0.00 N ATOM 1234 CA GLY A 611 -3.798 -16.512 -7.362 1.00 0.00 C ATOM 1235 C GLY A 611 -4.980 -15.567 -7.286 1.00 0.00 C ATOM 1236 O GLY A 611 -6.080 -15.902 -7.725 1.00 0.00 O ATOM 0 H GLY A 611 -1.986 -15.607 -6.826 1.00 0.00 H new ATOM 0 HA2 GLY A 611 -3.397 -16.506 -8.376 1.00 0.00 H new ATOM 0 HA3 GLY A 611 -4.136 -17.528 -7.159 1.00 0.00 H new ATOM 1240 N ARG A 612 -4.754 -14.383 -6.725 1.00 0.00 N ATOM 1241 CA ARG A 612 -5.811 -13.388 -6.589 1.00 0.00 C ATOM 1242 C ARG A 612 -5.318 -12.010 -7.022 1.00 0.00 C ATOM 1243 O ARG A 612 -4.337 -11.496 -6.488 1.00 0.00 O ATOM 1244 CB ARG A 612 -6.306 -13.333 -5.142 1.00 0.00 C ATOM 1245 CG ARG A 612 -7.437 -14.305 -4.848 1.00 0.00 C ATOM 1246 CD ARG A 612 -8.356 -13.776 -3.758 1.00 0.00 C ATOM 1247 NE ARG A 612 -7.922 -14.194 -2.428 1.00 0.00 N ATOM 1248 CZ ARG A 612 -8.235 -15.365 -1.886 1.00 0.00 C ATOM 1249 NH1 ARG A 612 -8.980 -16.231 -2.557 1.00 0.00 N ATOM 1250 NH2 ARG A 612 -7.802 -15.672 -0.669 1.00 0.00 N ATOM 0 H ARG A 612 -3.849 -14.090 -6.358 1.00 0.00 H new ATOM 0 HA ARG A 612 -6.637 -13.680 -7.237 1.00 0.00 H new ATOM 0 HB2 ARG A 612 -5.472 -13.546 -4.473 1.00 0.00 H new ATOM 0 HB3 ARG A 612 -6.642 -12.320 -4.920 1.00 0.00 H new ATOM 0 HG2 ARG A 612 -8.012 -14.481 -5.757 1.00 0.00 H new ATOM 0 HG3 ARG A 612 -7.023 -15.266 -4.542 1.00 0.00 H new ATOM 0 HD2 ARG A 612 -8.385 -12.687 -3.805 1.00 0.00 H new ATOM 0 HD3 ARG A 612 -9.371 -14.130 -3.936 1.00 0.00 H new ATOM 0 HE ARG A 612 -7.346 -13.551 -1.885 1.00 0.00 H new ATOM 0 HH11 ARG A 612 -9.314 -15.999 -3.492 1.00 0.00 H new ATOM 0 HH12 ARG A 612 -9.219 -17.130 -2.138 1.00 0.00 H new ATOM 0 HH21 ARG A 612 -7.228 -15.008 -0.149 1.00 0.00 H new ATOM 0 HH22 ARG A 612 -8.043 -16.572 -0.254 1.00 0.00 H new ATOM 1264 N GLU A 613 -6.008 -11.420 -7.993 1.00 0.00 N ATOM 1265 CA GLU A 613 -5.638 -10.102 -8.499 1.00 0.00 C ATOM 1266 C GLU A 613 -5.571 -9.084 -7.364 1.00 0.00 C ATOM 1267 O GLU A 613 -6.408 -9.088 -6.461 1.00 0.00 O ATOM 1268 CB GLU A 613 -6.641 -9.638 -9.557 1.00 0.00 C ATOM 1269 CG GLU A 613 -6.567 -10.426 -10.854 1.00 0.00 C ATOM 1270 CD GLU A 613 -7.891 -10.467 -11.589 1.00 0.00 C ATOM 1271 OE1 GLU A 613 -8.792 -11.210 -11.146 1.00 0.00 O ATOM 1272 OE2 GLU A 613 -8.028 -9.757 -12.607 1.00 0.00 O ATOM 0 H GLU A 613 -6.824 -11.832 -8.445 1.00 0.00 H new ATOM 0 HA GLU A 613 -4.651 -10.179 -8.954 1.00 0.00 H new ATOM 0 HB2 GLU A 613 -7.649 -9.719 -9.150 1.00 0.00 H new ATOM 0 HB3 GLU A 613 -6.468 -8.584 -9.772 1.00 0.00 H new ATOM 0 HG2 GLU A 613 -5.810 -9.983 -11.501 1.00 0.00 H new ATOM 0 HG3 GLU A 613 -6.244 -11.444 -10.638 1.00 0.00 H new ATOM 1279 N ALA A 614 -4.569 -8.212 -7.418 1.00 0.00 N ATOM 1280 CA ALA A 614 -4.393 -7.188 -6.396 1.00 0.00 C ATOM 1281 C ALA A 614 -4.326 -5.798 -7.019 1.00 0.00 C ATOM 1282 O ALA A 614 -3.902 -5.639 -8.165 1.00 0.00 O ATOM 1283 CB ALA A 614 -3.137 -7.464 -5.582 1.00 0.00 C ATOM 0 H ALA A 614 -3.868 -8.195 -8.158 1.00 0.00 H new ATOM 0 HA ALA A 614 -5.257 -7.220 -5.732 1.00 0.00 H new ATOM 0 HB1 ALA A 614 -3.018 -6.691 -4.823 1.00 0.00 H new ATOM 0 HB2 ALA A 614 -3.223 -8.437 -5.099 1.00 0.00 H new ATOM 0 HB3 ALA A 614 -2.269 -7.462 -6.241 1.00 0.00 H new ATOM 1289 N PHE A 615 -4.748 -4.792 -6.259 1.00 0.00 N ATOM 1290 CA PHE A 615 -4.739 -3.415 -6.738 1.00 0.00 C ATOM 1291 C PHE A 615 -3.949 -2.516 -5.792 1.00 0.00 C ATOM 1292 O PHE A 615 -4.002 -2.681 -4.572 1.00 0.00 O ATOM 1293 CB PHE A 615 -6.170 -2.892 -6.882 1.00 0.00 C ATOM 1294 CG PHE A 615 -7.016 -3.711 -7.815 1.00 0.00 C ATOM 1295 CD1 PHE A 615 -6.475 -4.244 -8.974 1.00 0.00 C ATOM 1296 CD2 PHE A 615 -8.351 -3.948 -7.531 1.00 0.00 C ATOM 1297 CE1 PHE A 615 -7.253 -4.997 -9.835 1.00 0.00 C ATOM 1298 CE2 PHE A 615 -9.133 -4.700 -8.388 1.00 0.00 C ATOM 1299 CZ PHE A 615 -8.583 -5.226 -9.540 1.00 0.00 C ATOM 0 H PHE A 615 -5.101 -4.905 -5.309 1.00 0.00 H new ATOM 0 HA PHE A 615 -4.255 -3.400 -7.715 1.00 0.00 H new ATOM 0 HB2 PHE A 615 -6.642 -2.872 -5.900 1.00 0.00 H new ATOM 0 HB3 PHE A 615 -6.138 -1.863 -7.241 1.00 0.00 H new ATOM 0 HD1 PHE A 615 -5.435 -4.070 -9.208 1.00 0.00 H new ATOM 0 HD2 PHE A 615 -8.786 -3.541 -6.630 1.00 0.00 H new ATOM 0 HE1 PHE A 615 -6.821 -5.405 -10.737 1.00 0.00 H new ATOM 0 HE2 PHE A 615 -10.173 -4.876 -8.157 1.00 0.00 H new ATOM 0 HZ PHE A 615 -9.192 -5.816 -10.210 1.00 0.00 H new ATOM 1309 N VAL A 616 -3.217 -1.564 -6.362 1.00 0.00 N ATOM 1310 CA VAL A 616 -2.417 -0.638 -5.570 1.00 0.00 C ATOM 1311 C VAL A 616 -2.760 0.809 -5.904 1.00 0.00 C ATOM 1312 O VAL A 616 -2.898 1.172 -7.072 1.00 0.00 O ATOM 1313 CB VAL A 616 -0.910 -0.862 -5.798 1.00 0.00 C ATOM 1314 CG1 VAL A 616 -0.092 0.088 -4.936 1.00 0.00 C ATOM 1315 CG2 VAL A 616 -0.536 -2.309 -5.512 1.00 0.00 C ATOM 0 H VAL A 616 -3.162 -1.414 -7.369 1.00 0.00 H new ATOM 0 HA VAL A 616 -2.652 -0.832 -4.523 1.00 0.00 H new ATOM 0 HB VAL A 616 -0.684 -0.652 -6.844 1.00 0.00 H new ATOM 0 HG11 VAL A 616 0.970 -0.085 -5.111 1.00 0.00 H new ATOM 0 HG12 VAL A 616 -0.339 1.118 -5.194 1.00 0.00 H new ATOM 0 HG13 VAL A 616 -0.320 -0.087 -3.885 1.00 0.00 H new ATOM 0 HG21 VAL A 616 0.532 -2.448 -5.678 1.00 0.00 H new ATOM 0 HG22 VAL A 616 -0.776 -2.549 -4.476 1.00 0.00 H new ATOM 0 HG23 VAL A 616 -1.096 -2.968 -6.176 1.00 0.00 H new ATOM 1325 N HIS A 617 -2.897 1.633 -4.869 1.00 0.00 N ATOM 1326 CA HIS A 617 -3.224 3.042 -5.053 1.00 0.00 C ATOM 1327 C HIS A 617 -2.157 3.933 -4.423 1.00 0.00 C ATOM 1328 O HIS A 617 -1.906 3.864 -3.220 1.00 0.00 O ATOM 1329 CB HIS A 617 -4.591 3.354 -4.442 1.00 0.00 C ATOM 1330 CG HIS A 617 -5.742 2.933 -5.304 1.00 0.00 C ATOM 1331 ND1 HIS A 617 -6.327 1.687 -5.221 1.00 0.00 N ATOM 1332 CD2 HIS A 617 -6.416 3.600 -6.269 1.00 0.00 C ATOM 1333 CE1 HIS A 617 -7.310 1.606 -6.099 1.00 0.00 C ATOM 1334 NE2 HIS A 617 -7.386 2.754 -6.747 1.00 0.00 N ATOM 0 H HIS A 617 -2.787 1.349 -3.896 1.00 0.00 H new ATOM 0 HA HIS A 617 -3.258 3.246 -6.123 1.00 0.00 H new ATOM 0 HB2 HIS A 617 -4.670 2.856 -3.476 1.00 0.00 H new ATOM 0 HB3 HIS A 617 -4.660 4.426 -4.255 1.00 0.00 H new ATOM 0 HD2 HIS A 617 -6.226 4.610 -6.601 1.00 0.00 H new ATOM 0 HE1 HIS A 617 -7.944 0.747 -6.260 1.00 0.00 H new ATOM 0 HE2 HIS A 617 -8.056 2.976 -7.483 1.00 0.00 H new ATOM 1342 N VAL A 618 -1.532 4.771 -5.244 1.00 0.00 N ATOM 1343 CA VAL A 618 -0.494 5.676 -4.769 1.00 0.00 C ATOM 1344 C VAL A 618 -1.096 6.856 -4.015 1.00 0.00 C ATOM 1345 O VAL A 618 -1.979 7.547 -4.524 1.00 0.00 O ATOM 1346 CB VAL A 618 0.364 6.209 -5.932 1.00 0.00 C ATOM 1347 CG1 VAL A 618 1.465 7.119 -5.411 1.00 0.00 C ATOM 1348 CG2 VAL A 618 0.947 5.056 -6.734 1.00 0.00 C ATOM 0 H VAL A 618 -1.727 4.841 -6.243 1.00 0.00 H new ATOM 0 HA VAL A 618 0.140 5.101 -4.094 1.00 0.00 H new ATOM 0 HB VAL A 618 -0.274 6.795 -6.593 1.00 0.00 H new ATOM 0 HG11 VAL A 618 2.060 7.485 -6.247 1.00 0.00 H new ATOM 0 HG12 VAL A 618 1.020 7.963 -4.885 1.00 0.00 H new ATOM 0 HG13 VAL A 618 2.105 6.561 -4.727 1.00 0.00 H new ATOM 0 HG21 VAL A 618 1.550 5.450 -7.552 1.00 0.00 H new ATOM 0 HG22 VAL A 618 1.571 4.441 -6.086 1.00 0.00 H new ATOM 0 HG23 VAL A 618 0.138 4.449 -7.140 1.00 0.00 H new ATOM 1358 N VAL A 619 -0.612 7.083 -2.797 1.00 0.00 N ATOM 1359 CA VAL A 619 -1.102 8.181 -1.972 1.00 0.00 C ATOM 1360 C VAL A 619 0.046 8.885 -1.258 1.00 0.00 C ATOM 1361 O VAL A 619 1.213 8.533 -1.435 1.00 0.00 O ATOM 1362 CB VAL A 619 -2.117 7.686 -0.924 1.00 0.00 C ATOM 1363 CG1 VAL A 619 -3.258 6.938 -1.597 1.00 0.00 C ATOM 1364 CG2 VAL A 619 -1.430 6.807 0.110 1.00 0.00 C ATOM 0 H VAL A 619 0.119 6.521 -2.360 1.00 0.00 H new ATOM 0 HA VAL A 619 -1.596 8.885 -2.642 1.00 0.00 H new ATOM 0 HB VAL A 619 -2.534 8.553 -0.411 1.00 0.00 H new ATOM 0 HG11 VAL A 619 -3.965 6.596 -0.841 1.00 0.00 H new ATOM 0 HG12 VAL A 619 -3.767 7.602 -2.295 1.00 0.00 H new ATOM 0 HG13 VAL A 619 -2.861 6.079 -2.138 1.00 0.00 H new ATOM 0 HG21 VAL A 619 -2.162 6.466 0.842 1.00 0.00 H new ATOM 0 HG22 VAL A 619 -0.983 5.945 -0.385 1.00 0.00 H new ATOM 0 HG23 VAL A 619 -0.651 7.379 0.614 1.00 0.00 H new ATOM 1374 N THR A 620 -0.292 9.884 -0.449 1.00 0.00 N ATOM 1375 CA THR A 620 0.710 10.640 0.292 1.00 0.00 C ATOM 1376 C THR A 620 0.954 10.029 1.667 1.00 0.00 C ATOM 1377 O THR A 620 0.284 9.075 2.061 1.00 0.00 O ATOM 1378 CB THR A 620 0.289 12.112 0.464 1.00 0.00 C ATOM 1379 OG1 THR A 620 -1.017 12.184 1.045 1.00 0.00 O ATOM 1380 CG2 THR A 620 0.296 12.837 -0.874 1.00 0.00 C ATOM 0 H THR A 620 -1.252 10.188 -0.290 1.00 0.00 H new ATOM 0 HA THR A 620 1.631 10.599 -0.289 1.00 0.00 H new ATOM 0 HB THR A 620 1.007 12.597 1.126 1.00 0.00 H new ATOM 0 HG1 THR A 620 -1.692 12.007 0.357 1.00 0.00 H new ATOM 0 HG21 THR A 620 -0.005 13.874 -0.727 1.00 0.00 H new ATOM 0 HG22 THR A 620 1.299 12.807 -1.299 1.00 0.00 H new ATOM 0 HG23 THR A 620 -0.402 12.350 -1.555 1.00 0.00 H new ATOM 1388 N LEU A 621 1.917 10.586 2.394 1.00 0.00 N ATOM 1389 CA LEU A 621 2.248 10.096 3.727 1.00 0.00 C ATOM 1390 C LEU A 621 1.075 10.281 4.684 1.00 0.00 C ATOM 1391 O LEU A 621 0.564 9.314 5.247 1.00 0.00 O ATOM 1392 CB LEU A 621 3.480 10.824 4.268 1.00 0.00 C ATOM 1393 CG LEU A 621 4.175 10.172 5.464 1.00 0.00 C ATOM 1394 CD1 LEU A 621 3.221 10.069 6.644 1.00 0.00 C ATOM 1395 CD2 LEU A 621 4.709 8.798 5.087 1.00 0.00 C ATOM 0 H LEU A 621 2.482 11.376 2.083 1.00 0.00 H new ATOM 0 HA LEU A 621 2.466 9.031 3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 621 4.205 10.919 3.460 1.00 0.00 H new ATOM 0 HB3 LEU A 621 3.185 11.834 4.552 1.00 0.00 H new ATOM 0 HG LEU A 621 5.017 10.799 5.757 1.00 0.00 H new ATOM 0 HD11 LEU A 621 3.733 9.603 7.486 1.00 0.00 H new ATOM 0 HD12 LEU A 621 2.887 11.066 6.930 1.00 0.00 H new ATOM 0 HD13 LEU A 621 2.359 9.464 6.363 1.00 0.00 H new ATOM 0 HD21 LEU A 621 5.200 8.349 5.950 1.00 0.00 H new ATOM 0 HD22 LEU A 621 3.883 8.162 4.768 1.00 0.00 H new ATOM 0 HD23 LEU A 621 5.426 8.897 4.272 1.00 0.00 H new ATOM 1407 N GLU A 622 0.653 11.529 4.860 1.00 0.00 N ATOM 1408 CA GLU A 622 -0.462 11.839 5.747 1.00 0.00 C ATOM 1409 C GLU A 622 -1.648 10.919 5.474 1.00 0.00 C ATOM 1410 O GLU A 622 -2.233 10.352 6.397 1.00 0.00 O ATOM 1411 CB GLU A 622 -0.886 13.299 5.577 1.00 0.00 C ATOM 1412 CG GLU A 622 0.060 14.289 6.235 1.00 0.00 C ATOM 1413 CD GLU A 622 1.458 14.238 5.649 1.00 0.00 C ATOM 1414 OE1 GLU A 622 2.281 13.442 6.146 1.00 0.00 O ATOM 1415 OE2 GLU A 622 1.728 14.994 4.692 1.00 0.00 O ATOM 0 H GLU A 622 1.066 12.341 4.401 1.00 0.00 H new ATOM 0 HA GLU A 622 -0.131 11.681 6.773 1.00 0.00 H new ATOM 0 HB2 GLU A 622 -0.954 13.527 4.513 1.00 0.00 H new ATOM 0 HB3 GLU A 622 -1.884 13.430 5.996 1.00 0.00 H new ATOM 0 HG2 GLU A 622 -0.340 15.297 6.124 1.00 0.00 H new ATOM 0 HG3 GLU A 622 0.110 14.082 7.304 1.00 0.00 H new ATOM 1422 N ASP A 623 -1.996 10.775 4.200 1.00 0.00 N ATOM 1423 CA ASP A 623 -3.111 9.922 3.804 1.00 0.00 C ATOM 1424 C ASP A 623 -2.903 8.493 4.294 1.00 0.00 C ATOM 1425 O ASP A 623 -3.861 7.799 4.635 1.00 0.00 O ATOM 1426 CB ASP A 623 -3.276 9.935 2.283 1.00 0.00 C ATOM 1427 CG ASP A 623 -3.722 11.286 1.760 1.00 0.00 C ATOM 1428 OD1 ASP A 623 -4.390 12.023 2.515 1.00 0.00 O ATOM 1429 OD2 ASP A 623 -3.401 11.606 0.596 1.00 0.00 O ATOM 0 H ASP A 623 -1.522 11.238 3.424 1.00 0.00 H new ATOM 0 HA ASP A 623 -4.018 10.315 4.263 1.00 0.00 H new ATOM 0 HB2 ASP A 623 -2.330 9.662 1.816 1.00 0.00 H new ATOM 0 HB3 ASP A 623 -4.005 9.178 1.993 1.00 0.00 H new ATOM 1434 N MET A 624 -1.648 8.060 4.324 1.00 0.00 N ATOM 1435 CA MET A 624 -1.315 6.713 4.772 1.00 0.00 C ATOM 1436 C MET A 624 -1.565 6.560 6.270 1.00 0.00 C ATOM 1437 O MET A 624 -1.768 5.452 6.764 1.00 0.00 O ATOM 1438 CB MET A 624 0.146 6.392 4.453 1.00 0.00 C ATOM 1439 CG MET A 624 0.535 4.954 4.758 1.00 0.00 C ATOM 1440 SD MET A 624 2.276 4.782 5.190 1.00 0.00 S ATOM 1441 CE MET A 624 2.197 4.926 6.974 1.00 0.00 C ATOM 0 H MET A 624 -0.844 8.622 4.043 1.00 0.00 H new ATOM 0 HA MET A 624 -1.958 6.012 4.240 1.00 0.00 H new ATOM 0 HB2 MET A 624 0.331 6.594 3.398 1.00 0.00 H new ATOM 0 HB3 MET A 624 0.789 7.062 5.023 1.00 0.00 H new ATOM 0 HG2 MET A 624 -0.078 4.583 5.580 1.00 0.00 H new ATOM 0 HG3 MET A 624 0.317 4.331 3.891 1.00 0.00 H new ATOM 0 HE1 MET A 624 3.190 4.769 7.396 1.00 0.00 H new ATOM 0 HE2 MET A 624 1.841 5.921 7.243 1.00 0.00 H new ATOM 0 HE3 MET A 624 1.512 4.176 7.370 1.00 0.00 H new ATOM 1451 N ARG A 625 -1.550 7.681 6.984 1.00 0.00 N ATOM 1452 CA ARG A 625 -1.774 7.671 8.425 1.00 0.00 C ATOM 1453 C ARG A 625 -3.265 7.695 8.743 1.00 0.00 C ATOM 1454 O ARG A 625 -3.784 6.795 9.402 1.00 0.00 O ATOM 1455 CB ARG A 625 -1.082 8.869 9.078 1.00 0.00 C ATOM 1456 CG ARG A 625 -0.634 8.608 10.507 1.00 0.00 C ATOM 1457 CD ARG A 625 -1.793 8.728 11.485 1.00 0.00 C ATOM 1458 NE ARG A 625 -1.385 8.430 12.855 1.00 0.00 N ATOM 1459 CZ ARG A 625 -0.663 9.255 13.604 1.00 0.00 C ATOM 1460 NH1 ARG A 625 -0.270 10.424 13.117 1.00 0.00 N ATOM 1461 NH2 ARG A 625 -0.332 8.912 14.842 1.00 0.00 N ATOM 0 H ARG A 625 -1.385 8.607 6.589 1.00 0.00 H new ATOM 0 HA ARG A 625 -1.349 6.751 8.828 1.00 0.00 H new ATOM 0 HB2 ARG A 625 -0.215 9.148 8.479 1.00 0.00 H new ATOM 0 HB3 ARG A 625 -1.763 9.720 9.069 1.00 0.00 H new ATOM 0 HG2 ARG A 625 -0.199 7.611 10.577 1.00 0.00 H new ATOM 0 HG3 ARG A 625 0.148 9.317 10.779 1.00 0.00 H new ATOM 0 HD2 ARG A 625 -2.203 9.737 11.440 1.00 0.00 H new ATOM 0 HD3 ARG A 625 -2.590 8.047 11.188 1.00 0.00 H new ATOM 0 HE ARG A 625 -1.671 7.538 13.259 1.00 0.00 H new ATOM 0 HH11 ARG A 625 -0.522 10.691 12.165 1.00 0.00 H new ATOM 0 HH12 ARG A 625 0.285 11.056 13.694 1.00 0.00 H new ATOM 0 HH21 ARG A 625 -0.632 8.013 15.220 1.00 0.00 H new ATOM 0 HH22 ARG A 625 0.223 9.547 15.416 1.00 0.00 H new ATOM 1475 N GLU A 626 -3.949 8.733 8.272 1.00 0.00 N ATOM 1476 CA GLU A 626 -5.381 8.875 8.508 1.00 0.00 C ATOM 1477 C GLU A 626 -6.098 7.541 8.324 1.00 0.00 C ATOM 1478 O GLU A 626 -7.077 7.249 9.012 1.00 0.00 O ATOM 1479 CB GLU A 626 -5.976 9.920 7.562 1.00 0.00 C ATOM 1480 CG GLU A 626 -6.246 9.391 6.163 1.00 0.00 C ATOM 1481 CD GLU A 626 -6.767 10.462 5.224 1.00 0.00 C ATOM 1482 OE1 GLU A 626 -6.476 11.653 5.463 1.00 0.00 O ATOM 1483 OE2 GLU A 626 -7.465 10.108 4.250 1.00 0.00 O ATOM 0 H GLU A 626 -3.535 9.488 7.725 1.00 0.00 H new ATOM 0 HA GLU A 626 -5.522 9.205 9.537 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -6.908 10.293 7.986 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -5.294 10.768 7.495 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -5.327 8.970 5.754 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -6.971 8.579 6.219 1.00 0.00 H new ATOM 1490 N ILE A 627 -5.602 6.734 7.392 1.00 0.00 N ATOM 1491 CA ILE A 627 -6.195 5.430 7.118 1.00 0.00 C ATOM 1492 C ILE A 627 -5.809 4.415 8.188 1.00 0.00 C ATOM 1493 O ILE A 627 -6.659 3.692 8.706 1.00 0.00 O ATOM 1494 CB ILE A 627 -5.765 4.894 5.739 1.00 0.00 C ATOM 1495 CG1 ILE A 627 -6.265 5.820 4.629 1.00 0.00 C ATOM 1496 CG2 ILE A 627 -6.287 3.480 5.534 1.00 0.00 C ATOM 1497 CD1 ILE A 627 -5.610 5.567 3.289 1.00 0.00 C ATOM 0 H ILE A 627 -4.792 6.959 6.814 1.00 0.00 H new ATOM 0 HA ILE A 627 -7.276 5.568 7.124 1.00 0.00 H new ATOM 0 HB ILE A 627 -4.676 4.867 5.699 1.00 0.00 H new ATOM 0 HG12 ILE A 627 -7.343 5.700 4.525 1.00 0.00 H new ATOM 0 HG13 ILE A 627 -6.086 6.854 4.922 1.00 0.00 H new ATOM 0 HG21 ILE A 627 -5.975 3.115 4.555 1.00 0.00 H new ATOM 0 HG22 ILE A 627 -5.885 2.828 6.309 1.00 0.00 H new ATOM 0 HG23 ILE A 627 -7.376 3.482 5.590 1.00 0.00 H new ATOM 0 HD11 ILE A 627 -6.013 6.260 2.550 1.00 0.00 H new ATOM 0 HD12 ILE A 627 -4.534 5.715 3.376 1.00 0.00 H new ATOM 0 HD13 ILE A 627 -5.811 4.543 2.973 1.00 0.00 H new ATOM 1509 N GLU A 628 -4.522 4.368 8.515 1.00 0.00 N ATOM 1510 CA GLU A 628 -4.023 3.442 9.526 1.00 0.00 C ATOM 1511 C GLU A 628 -4.672 3.715 10.880 1.00 0.00 C ATOM 1512 O GLU A 628 -4.966 2.789 11.638 1.00 0.00 O ATOM 1513 CB GLU A 628 -2.502 3.553 9.646 1.00 0.00 C ATOM 1514 CG GLU A 628 -1.850 2.332 10.273 1.00 0.00 C ATOM 1515 CD GLU A 628 -2.093 1.066 9.474 1.00 0.00 C ATOM 1516 OE1 GLU A 628 -2.162 1.152 8.231 1.00 0.00 O ATOM 1517 OE2 GLU A 628 -2.216 -0.011 10.095 1.00 0.00 O ATOM 0 H GLU A 628 -3.805 4.960 8.095 1.00 0.00 H new ATOM 0 HA GLU A 628 -4.282 2.430 9.215 1.00 0.00 H new ATOM 0 HB2 GLU A 628 -2.078 3.712 8.654 1.00 0.00 H new ATOM 0 HB3 GLU A 628 -2.256 4.432 10.242 1.00 0.00 H new ATOM 0 HG2 GLU A 628 -0.777 2.502 10.360 1.00 0.00 H new ATOM 0 HG3 GLU A 628 -2.234 2.198 11.284 1.00 0.00 H new ATOM 1524 N LYS A 629 -4.893 4.990 11.178 1.00 0.00 N ATOM 1525 CA LYS A 629 -5.508 5.385 12.439 1.00 0.00 C ATOM 1526 C LYS A 629 -6.977 4.980 12.480 1.00 0.00 C ATOM 1527 O LYS A 629 -7.459 4.453 13.483 1.00 0.00 O ATOM 1528 CB LYS A 629 -5.379 6.898 12.641 1.00 0.00 C ATOM 1529 CG LYS A 629 -6.088 7.715 11.575 1.00 0.00 C ATOM 1530 CD LYS A 629 -6.036 9.202 11.886 1.00 0.00 C ATOM 1531 CE LYS A 629 -4.605 9.715 11.913 1.00 0.00 C ATOM 1532 NZ LYS A 629 -4.543 11.170 12.227 1.00 0.00 N ATOM 0 H LYS A 629 -4.655 5.768 10.563 1.00 0.00 H new ATOM 0 HA LYS A 629 -4.986 4.870 13.245 1.00 0.00 H new ATOM 0 HB2 LYS A 629 -5.783 7.162 13.618 1.00 0.00 H new ATOM 0 HB3 LYS A 629 -4.323 7.166 12.650 1.00 0.00 H new ATOM 0 HG2 LYS A 629 -5.626 7.529 10.605 1.00 0.00 H new ATOM 0 HG3 LYS A 629 -7.127 7.394 11.500 1.00 0.00 H new ATOM 0 HD2 LYS A 629 -6.607 9.752 11.138 1.00 0.00 H new ATOM 0 HD3 LYS A 629 -6.510 9.390 12.850 1.00 0.00 H new ATOM 0 HE2 LYS A 629 -4.034 9.158 12.656 1.00 0.00 H new ATOM 0 HE3 LYS A 629 -4.135 9.532 10.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 629 -3.551 11.481 12.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 629 -5.067 11.704 11.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 629 -4.968 11.342 13.160 1.00 0.00 H new ATOM 1546 N ASN A 630 -7.686 5.227 11.383 1.00 0.00 N ATOM 1547 CA ASN A 630 -9.100 4.886 11.293 1.00 0.00 C ATOM 1548 C ASN A 630 -9.403 4.160 9.985 1.00 0.00 C ATOM 1549 O ASN A 630 -9.858 4.754 9.007 1.00 0.00 O ATOM 1550 CB ASN A 630 -9.959 6.150 11.398 1.00 0.00 C ATOM 1551 CG ASN A 630 -11.439 5.856 11.256 1.00 0.00 C ATOM 1552 OD1 ASN A 630 -11.988 5.894 10.155 1.00 0.00 O ATOM 1553 ND2 ASN A 630 -12.094 5.560 12.373 1.00 0.00 N ATOM 0 H ASN A 630 -7.303 5.662 10.544 1.00 0.00 H new ATOM 0 HA ASN A 630 -9.341 4.220 12.122 1.00 0.00 H new ATOM 0 HB2 ASN A 630 -9.777 6.631 12.359 1.00 0.00 H new ATOM 0 HB3 ASN A 630 -9.656 6.857 10.626 1.00 0.00 H new ATOM 0 HD21 ASN A 630 -13.092 5.353 12.339 1.00 0.00 H new ATOM 0 HD22 ASN A 630 -11.599 5.540 13.265 1.00 0.00 H new ATOM 1560 N PRO A 631 -9.146 2.843 9.967 1.00 0.00 N ATOM 1561 CA PRO A 631 -9.385 2.008 8.787 1.00 0.00 C ATOM 1562 C PRO A 631 -10.745 2.275 8.152 1.00 0.00 C ATOM 1563 O PRO A 631 -11.719 2.601 8.830 1.00 0.00 O ATOM 1564 CB PRO A 631 -9.325 0.583 9.345 1.00 0.00 C ATOM 1565 CG PRO A 631 -8.432 0.677 10.532 1.00 0.00 C ATOM 1566 CD PRO A 631 -8.603 2.070 11.096 1.00 0.00 C ATOM 0 HA PRO A 631 -8.661 2.203 7.996 1.00 0.00 H new ATOM 0 HB2 PRO A 631 -10.316 0.225 9.623 1.00 0.00 H new ATOM 0 HB3 PRO A 631 -8.930 -0.115 8.607 1.00 0.00 H new ATOM 0 HG2 PRO A 631 -8.695 -0.076 11.275 1.00 0.00 H new ATOM 0 HG3 PRO A 631 -7.394 0.498 10.251 1.00 0.00 H new ATOM 0 HD2 PRO A 631 -9.283 2.076 11.948 1.00 0.00 H new ATOM 0 HD3 PRO A 631 -7.654 2.480 11.442 1.00 0.00 H new ATOM 1574 N PRO A 632 -10.815 2.135 6.820 1.00 0.00 N ATOM 1575 CA PRO A 632 -12.052 2.356 6.065 1.00 0.00 C ATOM 1576 C PRO A 632 -13.251 1.663 6.701 1.00 0.00 C ATOM 1577 O PRO A 632 -13.153 0.523 7.153 1.00 0.00 O ATOM 1578 CB PRO A 632 -11.745 1.744 4.695 1.00 0.00 C ATOM 1579 CG PRO A 632 -10.267 1.854 4.553 1.00 0.00 C ATOM 1580 CD PRO A 632 -9.692 1.749 5.948 1.00 0.00 C ATOM 0 HA PRO A 632 -12.322 3.411 6.025 1.00 0.00 H new ATOM 0 HB2 PRO A 632 -12.071 0.705 4.643 1.00 0.00 H new ATOM 0 HB3 PRO A 632 -12.260 2.280 3.898 1.00 0.00 H new ATOM 0 HG2 PRO A 632 -9.879 1.062 3.913 1.00 0.00 H new ATOM 0 HG3 PRO A 632 -9.991 2.802 4.090 1.00 0.00 H new ATOM 0 HD2 PRO A 632 -9.347 0.738 6.164 1.00 0.00 H new ATOM 0 HD3 PRO A 632 -8.837 2.412 6.079 1.00 0.00 H new ATOM 1588 N ALA A 633 -14.383 2.359 6.733 1.00 0.00 N ATOM 1589 CA ALA A 633 -15.603 1.810 7.312 1.00 0.00 C ATOM 1590 C ALA A 633 -16.076 0.586 6.535 1.00 0.00 C ATOM 1591 O ALA A 633 -16.312 -0.474 7.113 1.00 0.00 O ATOM 1592 CB ALA A 633 -16.694 2.869 7.347 1.00 0.00 C ATOM 0 H ALA A 633 -14.480 3.305 6.364 1.00 0.00 H new ATOM 0 HA ALA A 633 -15.383 1.498 8.333 1.00 0.00 H new ATOM 0 HB1 ALA A 633 -17.599 2.445 7.782 1.00 0.00 H new ATOM 0 HB2 ALA A 633 -16.362 3.713 7.951 1.00 0.00 H new ATOM 0 HB3 ALA A 633 -16.904 3.209 6.333 1.00 0.00 H new ATOM 1598 N GLN A 634 -16.212 0.740 5.222 1.00 0.00 N ATOM 1599 CA GLN A 634 -16.659 -0.352 4.366 1.00 0.00 C ATOM 1600 C GLN A 634 -16.151 -0.169 2.939 1.00 0.00 C ATOM 1601 O GLN A 634 -16.410 0.852 2.305 1.00 0.00 O ATOM 1602 CB GLN A 634 -18.187 -0.439 4.370 1.00 0.00 C ATOM 1603 CG GLN A 634 -18.737 -1.515 3.449 1.00 0.00 C ATOM 1604 CD GLN A 634 -18.811 -2.874 4.118 1.00 0.00 C ATOM 1605 OE1 GLN A 634 -18.953 -2.971 5.337 1.00 0.00 O ATOM 1606 NE2 GLN A 634 -18.714 -3.932 3.321 1.00 0.00 N ATOM 0 H GLN A 634 -16.019 1.611 4.728 1.00 0.00 H new ATOM 0 HA GLN A 634 -16.249 -1.281 4.761 1.00 0.00 H new ATOM 0 HB2 GLN A 634 -18.529 -0.633 5.387 1.00 0.00 H new ATOM 0 HB3 GLN A 634 -18.598 0.526 4.074 1.00 0.00 H new ATOM 0 HG2 GLN A 634 -19.732 -1.225 3.112 1.00 0.00 H new ATOM 0 HG3 GLN A 634 -18.108 -1.585 2.562 1.00 0.00 H new ATOM 0 HE21 GLN A 634 -18.597 -3.804 2.316 1.00 0.00 H new ATOM 0 HE22 GLN A 634 -18.756 -4.872 3.714 1.00 0.00 H new ATOM 1615 N GLY A 635 -15.427 -1.168 2.442 1.00 0.00 N ATOM 1616 CA GLY A 635 -14.894 -1.097 1.094 1.00 0.00 C ATOM 1617 C GLY A 635 -14.218 0.228 0.807 1.00 0.00 C ATOM 1618 O GLY A 635 -13.380 0.687 1.583 1.00 0.00 O ATOM 0 H GLY A 635 -15.201 -2.024 2.948 1.00 0.00 H new ATOM 0 HA2 GLY A 635 -14.178 -1.906 0.947 1.00 0.00 H new ATOM 0 HA3 GLY A 635 -15.702 -1.252 0.379 1.00 0.00 H new ATOM 1622 N LYS A 636 -14.581 0.845 -0.313 1.00 0.00 N ATOM 1623 CA LYS A 636 -14.004 2.126 -0.702 1.00 0.00 C ATOM 1624 C LYS A 636 -15.036 2.993 -1.416 1.00 0.00 C ATOM 1625 O LYS A 636 -15.887 2.487 -2.148 1.00 0.00 O ATOM 1626 CB LYS A 636 -12.791 1.908 -1.609 1.00 0.00 C ATOM 1627 CG LYS A 636 -13.109 1.129 -2.873 1.00 0.00 C ATOM 1628 CD LYS A 636 -13.039 -0.371 -2.637 1.00 0.00 C ATOM 1629 CE LYS A 636 -13.589 -1.148 -3.823 1.00 0.00 C ATOM 1630 NZ LYS A 636 -13.073 -2.545 -3.859 1.00 0.00 N ATOM 0 H LYS A 636 -15.272 0.478 -0.967 1.00 0.00 H new ATOM 0 HA LYS A 636 -13.685 2.642 0.203 1.00 0.00 H new ATOM 0 HB2 LYS A 636 -12.375 2.877 -1.885 1.00 0.00 H new ATOM 0 HB3 LYS A 636 -12.020 1.378 -1.050 1.00 0.00 H new ATOM 0 HG2 LYS A 636 -14.105 1.397 -3.225 1.00 0.00 H new ATOM 0 HG3 LYS A 636 -12.407 1.408 -3.659 1.00 0.00 H new ATOM 0 HD2 LYS A 636 -12.005 -0.664 -2.457 1.00 0.00 H new ATOM 0 HD3 LYS A 636 -13.604 -0.626 -1.740 1.00 0.00 H new ATOM 0 HE2 LYS A 636 -14.678 -1.164 -3.773 1.00 0.00 H new ATOM 0 HE3 LYS A 636 -13.320 -0.638 -4.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 636 -13.471 -3.041 -4.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 636 -12.036 -2.530 -3.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 636 -13.351 -3.040 -2.988 1.00 0.00 H new ATOM 1644 N SER A 637 -14.954 4.303 -1.202 1.00 0.00 N ATOM 1645 CA SER A 637 -15.882 5.239 -1.822 1.00 0.00 C ATOM 1646 C SER A 637 -15.908 5.054 -3.337 1.00 0.00 C ATOM 1647 O SER A 637 -16.955 4.775 -3.921 1.00 0.00 O ATOM 1648 CB SER A 637 -15.492 6.679 -1.480 1.00 0.00 C ATOM 1649 OG SER A 637 -16.374 7.605 -2.092 1.00 0.00 O ATOM 0 H SER A 637 -14.253 4.739 -0.603 1.00 0.00 H new ATOM 0 HA SER A 637 -16.879 5.037 -1.431 1.00 0.00 H new ATOM 0 HB2 SER A 637 -15.508 6.817 -0.399 1.00 0.00 H new ATOM 0 HB3 SER A 637 -14.471 6.871 -1.811 1.00 0.00 H new ATOM 0 HG SER A 637 -16.105 8.518 -1.857 1.00 0.00 H new ATOM 1655 N GLY A 638 -14.748 5.212 -3.967 1.00 0.00 N ATOM 1656 CA GLY A 638 -14.659 5.058 -5.407 1.00 0.00 C ATOM 1657 C GLY A 638 -13.496 5.829 -6.002 1.00 0.00 C ATOM 1658 O GLY A 638 -12.918 6.710 -5.365 1.00 0.00 O ATOM 0 H GLY A 638 -13.868 5.444 -3.506 1.00 0.00 H new ATOM 0 HA2 GLY A 638 -14.553 4.001 -5.650 1.00 0.00 H new ATOM 0 HA3 GLY A 638 -15.588 5.398 -5.864 1.00 0.00 H new ATOM 1662 N PRO A 639 -13.136 5.493 -7.249 1.00 0.00 N ATOM 1663 CA PRO A 639 -12.031 6.147 -7.956 1.00 0.00 C ATOM 1664 C PRO A 639 -12.071 7.666 -7.818 1.00 0.00 C ATOM 1665 O PRO A 639 -13.133 8.251 -7.608 1.00 0.00 O ATOM 1666 CB PRO A 639 -12.250 5.737 -9.415 1.00 0.00 C ATOM 1667 CG PRO A 639 -12.960 4.430 -9.338 1.00 0.00 C ATOM 1668 CD PRO A 639 -13.781 4.452 -8.067 1.00 0.00 C ATOM 0 HA PRO A 639 -11.061 5.851 -7.557 1.00 0.00 H new ATOM 0 HB2 PRO A 639 -12.843 6.479 -9.950 1.00 0.00 H new ATOM 0 HB3 PRO A 639 -11.303 5.642 -9.946 1.00 0.00 H new ATOM 0 HG2 PRO A 639 -13.600 4.286 -10.209 1.00 0.00 H new ATOM 0 HG3 PRO A 639 -12.249 3.604 -9.324 1.00 0.00 H new ATOM 0 HD2 PRO A 639 -14.825 4.692 -8.269 1.00 0.00 H new ATOM 0 HD3 PRO A 639 -13.768 3.484 -7.566 1.00 0.00 H new ATOM 1676 N SER A 640 -10.907 8.297 -7.939 1.00 0.00 N ATOM 1677 CA SER A 640 -10.810 9.747 -7.823 1.00 0.00 C ATOM 1678 C SER A 640 -9.706 10.291 -8.727 1.00 0.00 C ATOM 1679 O SER A 640 -8.667 9.656 -8.906 1.00 0.00 O ATOM 1680 CB SER A 640 -10.540 10.148 -6.371 1.00 0.00 C ATOM 1681 OG SER A 640 -10.542 11.558 -6.223 1.00 0.00 O ATOM 0 H SER A 640 -10.019 7.827 -8.117 1.00 0.00 H new ATOM 0 HA SER A 640 -11.761 10.177 -8.139 1.00 0.00 H new ATOM 0 HB2 SER A 640 -11.298 9.710 -5.722 1.00 0.00 H new ATOM 0 HB3 SER A 640 -9.578 9.747 -6.052 1.00 0.00 H new ATOM 0 HG SER A 640 -10.369 11.789 -5.286 1.00 0.00 H new ATOM 1687 N SER A 641 -9.941 11.471 -9.292 1.00 0.00 N ATOM 1688 CA SER A 641 -8.970 12.099 -10.181 1.00 0.00 C ATOM 1689 C SER A 641 -8.517 13.446 -9.624 1.00 0.00 C ATOM 1690 O SER A 641 -7.331 13.664 -9.386 1.00 0.00 O ATOM 1691 CB SER A 641 -9.569 12.286 -11.576 1.00 0.00 C ATOM 1692 OG SER A 641 -8.553 12.406 -12.556 1.00 0.00 O ATOM 0 H SER A 641 -10.795 12.011 -9.150 1.00 0.00 H new ATOM 0 HA SER A 641 -8.102 11.444 -10.252 1.00 0.00 H new ATOM 0 HB2 SER A 641 -10.211 11.439 -11.816 1.00 0.00 H new ATOM 0 HB3 SER A 641 -10.198 13.176 -11.589 1.00 0.00 H new ATOM 0 HG SER A 641 -8.962 12.523 -13.439 1.00 0.00 H new ATOM 1698 N GLY A 642 -9.473 14.346 -9.419 1.00 0.00 N ATOM 1699 CA GLY A 642 -9.155 15.661 -8.893 1.00 0.00 C ATOM 1700 C GLY A 642 -9.835 15.934 -7.567 1.00 0.00 C ATOM 1701 O GLY A 642 -10.891 16.564 -7.522 1.00 0.00 O ATOM 0 H GLY A 642 -10.463 14.188 -9.608 1.00 0.00 H new ATOM 0 HA2 GLY A 642 -8.076 15.748 -8.769 1.00 0.00 H new ATOM 0 HA3 GLY A 642 -9.455 16.420 -9.615 1.00 0.00 H new TER 1705 GLY A 642