USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 580 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 539 LYS NZ :NH3+ -129:sc= -2.44! (180deg=-4.27!) USER MOD Single : A 540 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 544 SER OG : rot 91:sc= 1.27 USER MOD Single : A 545 TYR OH : rot -137:sc= 1.15 USER MOD Single : A 548 ASN : amide:sc= -0.203 K(o=-0.2,f=-1.8!) USER MOD Single : A 549 MET CE :methyl 146:sc= -1.41 (180deg=-3.14!) USER MOD Single : A 550 LYS NZ :NH3+ 157:sc= -0.937 (180deg=-2.1!) USER MOD Single : A 551 SER OG : rot 180:sc= 0 USER MOD Single : A 559 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 561 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 563 SER OG : rot 180:sc= 0 USER MOD Single : A 567 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 568 LYS NZ :NH3+ 170:sc= -0.014 (180deg=-0.174) USER MOD Single : A 569 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 573 LYS NZ :NH3+ -146:sc= -0.451 (180deg=-2.48!) USER MOD Single : A 574 CYS SG : rot 70:sc= -4.5! USER MOD Single : A 575 GLN : amide:sc= -0.924 K(o=-0.92,f=-0.32) USER MOD Single : A 579 SER OG : rot 9:sc= 0.95 USER MOD Single : A 584 ASN : amide:sc= -12.3! C(o=-12!,f=-9.5!) USER MOD Single : A 585 THR OG1 : rot 180:sc= -0.971 USER MOD Single : A 589 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 594 HIS : no HE2:sc= 1.13 K(o=1.1,f=-4.5!) USER MOD Single : A 595 LYS NZ :NH3+ -141:sc= -0.36 (180deg=-1.5!) USER MOD Single : A 597 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 601 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 603 CYS SG : rot 16:sc= -3.43! USER MOD Single : A 604 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 608 SER OG : rot 180:sc= 0.00175 USER MOD ----------------------------------------------------------------- ATOM 12 N ALA A 538 -12.923 0.381 -7.225 1.00 0.00 N ATOM 13 CA ALA A 538 -11.925 0.979 -6.351 1.00 0.00 C ATOM 14 C ALA A 538 -11.179 -0.092 -5.566 1.00 0.00 C ATOM 15 O ALA A 538 -10.034 0.113 -5.173 1.00 0.00 O ATOM 16 CB ALA A 538 -12.557 1.985 -5.400 1.00 0.00 C ATOM 0 HA ALA A 538 -11.211 1.508 -6.982 1.00 0.00 H new ATOM 0 HB1 ALA A 538 -11.786 2.415 -4.760 1.00 0.00 H new ATOM 0 HB2 ALA A 538 -13.035 2.778 -5.975 1.00 0.00 H new ATOM 0 HB3 ALA A 538 -13.303 1.484 -4.783 1.00 0.00 H new ATOM 22 N LYS A 539 -11.827 -1.232 -5.346 1.00 0.00 N ATOM 23 CA LYS A 539 -11.202 -2.345 -4.643 1.00 0.00 C ATOM 24 C LYS A 539 -9.972 -2.814 -5.415 1.00 0.00 C ATOM 25 O LYS A 539 -8.888 -2.957 -4.847 1.00 0.00 O ATOM 26 CB LYS A 539 -12.215 -3.493 -4.471 1.00 0.00 C ATOM 27 CG LYS A 539 -11.804 -4.591 -3.493 1.00 0.00 C ATOM 28 CD LYS A 539 -10.660 -5.413 -4.035 1.00 0.00 C ATOM 29 CE LYS A 539 -10.471 -6.714 -3.278 1.00 0.00 C ATOM 30 NZ LYS A 539 -10.436 -6.532 -1.806 1.00 0.00 N ATOM 0 H LYS A 539 -12.786 -1.408 -5.645 1.00 0.00 H new ATOM 0 HA LYS A 539 -10.885 -2.019 -3.652 1.00 0.00 H new ATOM 0 HB2 LYS A 539 -13.163 -3.071 -4.139 1.00 0.00 H new ATOM 0 HB3 LYS A 539 -12.393 -3.947 -5.446 1.00 0.00 H new ATOM 0 HG2 LYS A 539 -11.514 -4.143 -2.542 1.00 0.00 H new ATOM 0 HG3 LYS A 539 -12.657 -5.240 -3.293 1.00 0.00 H new ATOM 0 HD2 LYS A 539 -10.840 -5.632 -5.088 1.00 0.00 H new ATOM 0 HD3 LYS A 539 -9.741 -4.829 -3.984 1.00 0.00 H new ATOM 0 HE2 LYS A 539 -11.281 -7.397 -3.534 1.00 0.00 H new ATOM 0 HE3 LYS A 539 -9.543 -7.184 -3.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 539 -9.595 -7.004 -1.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 539 -10.397 -5.517 -1.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 539 -11.291 -6.947 -1.384 1.00 0.00 H new ATOM 44 N ASN A 540 -10.145 -3.019 -6.715 1.00 0.00 N ATOM 45 CA ASN A 540 -9.068 -3.515 -7.566 1.00 0.00 C ATOM 46 C ASN A 540 -7.913 -2.530 -7.603 1.00 0.00 C ATOM 47 O ASN A 540 -6.754 -2.913 -7.439 1.00 0.00 O ATOM 48 CB ASN A 540 -9.568 -3.763 -8.990 1.00 0.00 C ATOM 49 CG ASN A 540 -10.648 -4.823 -9.063 1.00 0.00 C ATOM 50 OD1 ASN A 540 -10.718 -5.716 -8.222 1.00 0.00 O ATOM 51 ND2 ASN A 540 -11.490 -4.742 -10.084 1.00 0.00 N ATOM 0 H ASN A 540 -11.023 -2.849 -7.205 1.00 0.00 H new ATOM 0 HA ASN A 540 -8.721 -4.457 -7.142 1.00 0.00 H new ATOM 0 HB2 ASN A 540 -9.954 -2.830 -9.401 1.00 0.00 H new ATOM 0 HB3 ASN A 540 -8.728 -4.064 -9.617 1.00 0.00 H new ATOM 0 HD21 ASN A 540 -12.229 -5.437 -10.192 1.00 0.00 H new ATOM 0 HD22 ASN A 540 -11.399 -3.985 -10.761 1.00 0.00 H new ATOM 58 N ALA A 541 -8.240 -1.260 -7.810 1.00 0.00 N ATOM 59 CA ALA A 541 -7.238 -0.205 -7.843 1.00 0.00 C ATOM 60 C ALA A 541 -6.493 -0.128 -6.522 1.00 0.00 C ATOM 61 O ALA A 541 -5.270 -0.006 -6.493 1.00 0.00 O ATOM 62 CB ALA A 541 -7.894 1.127 -8.152 1.00 0.00 C ATOM 0 H ALA A 541 -9.196 -0.936 -7.958 1.00 0.00 H new ATOM 0 HA ALA A 541 -6.519 -0.438 -8.629 1.00 0.00 H new ATOM 0 HB1 ALA A 541 -7.136 1.910 -8.174 1.00 0.00 H new ATOM 0 HB2 ALA A 541 -8.388 1.073 -9.122 1.00 0.00 H new ATOM 0 HB3 ALA A 541 -8.630 1.357 -7.382 1.00 0.00 H new ATOM 68 N LEU A 542 -7.242 -0.227 -5.434 1.00 0.00 N ATOM 69 CA LEU A 542 -6.687 -0.102 -4.103 1.00 0.00 C ATOM 70 C LEU A 542 -5.737 -1.255 -3.788 1.00 0.00 C ATOM 71 O LEU A 542 -4.618 -1.033 -3.317 1.00 0.00 O ATOM 72 CB LEU A 542 -7.831 -0.049 -3.084 1.00 0.00 C ATOM 73 CG LEU A 542 -7.453 0.472 -1.704 1.00 0.00 C ATOM 74 CD1 LEU A 542 -6.754 -0.587 -0.889 1.00 0.00 C ATOM 75 CD2 LEU A 542 -6.559 1.680 -1.848 1.00 0.00 C ATOM 0 H LEU A 542 -8.248 -0.396 -5.453 1.00 0.00 H new ATOM 0 HA LEU A 542 -6.107 0.820 -4.048 1.00 0.00 H new ATOM 0 HB2 LEU A 542 -8.625 0.581 -3.487 1.00 0.00 H new ATOM 0 HB3 LEU A 542 -8.244 -1.052 -2.975 1.00 0.00 H new ATOM 0 HG LEU A 542 -8.368 0.749 -1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 542 -6.498 -0.182 0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 542 -7.414 -1.446 -0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 542 -5.844 -0.899 -1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 542 -6.289 2.053 -0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 542 -5.655 1.401 -2.390 1.00 0.00 H new ATOM 0 HD23 LEU A 542 -7.086 2.459 -2.398 1.00 0.00 H new ATOM 87 N GLU A 543 -6.172 -2.480 -4.063 1.00 0.00 N ATOM 88 CA GLU A 543 -5.372 -3.646 -3.754 1.00 0.00 C ATOM 89 C GLU A 543 -4.109 -3.651 -4.583 1.00 0.00 C ATOM 90 O GLU A 543 -3.015 -3.852 -4.063 1.00 0.00 O ATOM 91 CB GLU A 543 -6.155 -4.917 -4.027 1.00 0.00 C ATOM 92 CG GLU A 543 -5.860 -6.004 -3.018 1.00 0.00 C ATOM 93 CD GLU A 543 -6.557 -7.301 -3.348 1.00 0.00 C ATOM 94 OE1 GLU A 543 -6.123 -7.991 -4.290 1.00 0.00 O ATOM 95 OE2 GLU A 543 -7.566 -7.620 -2.686 1.00 0.00 O ATOM 0 H GLU A 543 -7.072 -2.685 -4.498 1.00 0.00 H new ATOM 0 HA GLU A 543 -5.111 -3.606 -2.696 1.00 0.00 H new ATOM 0 HB2 GLU A 543 -7.222 -4.693 -4.014 1.00 0.00 H new ATOM 0 HB3 GLU A 543 -5.917 -5.279 -5.027 1.00 0.00 H new ATOM 0 HG2 GLU A 543 -4.784 -6.174 -2.975 1.00 0.00 H new ATOM 0 HG3 GLU A 543 -6.170 -5.670 -2.028 1.00 0.00 H new ATOM 102 N SER A 544 -4.275 -3.420 -5.874 1.00 0.00 N ATOM 103 CA SER A 544 -3.149 -3.371 -6.790 1.00 0.00 C ATOM 104 C SER A 544 -2.174 -2.274 -6.375 1.00 0.00 C ATOM 105 O SER A 544 -0.972 -2.416 -6.542 1.00 0.00 O ATOM 106 CB SER A 544 -3.641 -3.137 -8.218 1.00 0.00 C ATOM 107 OG SER A 544 -4.641 -4.081 -8.565 1.00 0.00 O ATOM 0 H SER A 544 -5.182 -3.263 -6.313 1.00 0.00 H new ATOM 0 HA SER A 544 -2.627 -4.327 -6.754 1.00 0.00 H new ATOM 0 HB2 SER A 544 -4.040 -2.127 -8.309 1.00 0.00 H new ATOM 0 HB3 SER A 544 -2.805 -3.213 -8.913 1.00 0.00 H new ATOM 0 HG SER A 544 -5.524 -3.721 -8.338 1.00 0.00 H new ATOM 113 N TYR A 545 -2.702 -1.196 -5.807 1.00 0.00 N ATOM 114 CA TYR A 545 -1.879 -0.090 -5.338 1.00 0.00 C ATOM 115 C TYR A 545 -1.009 -0.544 -4.170 1.00 0.00 C ATOM 116 O TYR A 545 0.202 -0.320 -4.164 1.00 0.00 O ATOM 117 CB TYR A 545 -2.777 1.075 -4.900 1.00 0.00 C ATOM 118 CG TYR A 545 -2.069 2.405 -4.806 1.00 0.00 C ATOM 119 CD1 TYR A 545 -1.053 2.612 -3.889 1.00 0.00 C ATOM 120 CD2 TYR A 545 -2.425 3.454 -5.640 1.00 0.00 C ATOM 121 CE1 TYR A 545 -0.400 3.824 -3.808 1.00 0.00 C ATOM 122 CE2 TYR A 545 -1.778 4.673 -5.568 1.00 0.00 C ATOM 123 CZ TYR A 545 -0.766 4.853 -4.651 1.00 0.00 C ATOM 124 OH TYR A 545 -0.108 6.061 -4.583 1.00 0.00 O ATOM 0 H TYR A 545 -3.703 -1.065 -5.660 1.00 0.00 H new ATOM 0 HA TYR A 545 -1.233 0.242 -6.150 1.00 0.00 H new ATOM 0 HB2 TYR A 545 -3.604 1.166 -5.605 1.00 0.00 H new ATOM 0 HB3 TYR A 545 -3.211 0.838 -3.929 1.00 0.00 H new ATOM 0 HD1 TYR A 545 -0.766 1.810 -3.225 1.00 0.00 H new ATOM 0 HD2 TYR A 545 -3.221 3.316 -6.357 1.00 0.00 H new ATOM 0 HE1 TYR A 545 0.393 3.967 -3.089 1.00 0.00 H new ATOM 0 HE2 TYR A 545 -2.064 5.480 -6.227 1.00 0.00 H new ATOM 0 HH TYR A 545 -0.759 6.792 -4.640 1.00 0.00 H new ATOM 134 N ALA A 546 -1.631 -1.193 -3.188 1.00 0.00 N ATOM 135 CA ALA A 546 -0.906 -1.684 -2.026 1.00 0.00 C ATOM 136 C ALA A 546 0.066 -2.782 -2.439 1.00 0.00 C ATOM 137 O ALA A 546 1.205 -2.831 -1.978 1.00 0.00 O ATOM 138 CB ALA A 546 -1.883 -2.177 -0.963 1.00 0.00 C ATOM 0 H ALA A 546 -2.632 -1.389 -3.177 1.00 0.00 H new ATOM 0 HA ALA A 546 -0.327 -0.867 -1.595 1.00 0.00 H new ATOM 0 HB1 ALA A 546 -1.327 -2.542 -0.099 1.00 0.00 H new ATOM 0 HB2 ALA A 546 -2.532 -1.357 -0.657 1.00 0.00 H new ATOM 0 HB3 ALA A 546 -2.489 -2.986 -1.372 1.00 0.00 H new ATOM 144 N PHE A 547 -0.398 -3.651 -3.333 1.00 0.00 N ATOM 145 CA PHE A 547 0.444 -4.679 -3.930 1.00 0.00 C ATOM 146 C PHE A 547 1.648 -4.051 -4.624 1.00 0.00 C ATOM 147 O PHE A 547 2.772 -4.528 -4.486 1.00 0.00 O ATOM 148 CB PHE A 547 -0.357 -5.493 -4.948 1.00 0.00 C ATOM 149 CG PHE A 547 -0.920 -6.789 -4.434 1.00 0.00 C ATOM 150 CD1 PHE A 547 -1.933 -6.812 -3.487 1.00 0.00 C ATOM 151 CD2 PHE A 547 -0.444 -7.995 -4.924 1.00 0.00 C ATOM 152 CE1 PHE A 547 -2.454 -8.011 -3.039 1.00 0.00 C ATOM 153 CE2 PHE A 547 -0.959 -9.196 -4.476 1.00 0.00 C ATOM 154 CZ PHE A 547 -1.965 -9.204 -3.533 1.00 0.00 C ATOM 0 H PHE A 547 -1.364 -3.661 -3.662 1.00 0.00 H new ATOM 0 HA PHE A 547 0.794 -5.335 -3.133 1.00 0.00 H new ATOM 0 HB2 PHE A 547 -1.179 -4.878 -5.314 1.00 0.00 H new ATOM 0 HB3 PHE A 547 0.285 -5.708 -5.802 1.00 0.00 H new ATOM 0 HD1 PHE A 547 -2.319 -5.882 -3.095 1.00 0.00 H new ATOM 0 HD2 PHE A 547 0.340 -7.996 -5.666 1.00 0.00 H new ATOM 0 HE1 PHE A 547 -3.244 -8.015 -2.302 1.00 0.00 H new ATOM 0 HE2 PHE A 547 -0.574 -10.128 -4.864 1.00 0.00 H new ATOM 0 HZ PHE A 547 -2.370 -10.142 -3.181 1.00 0.00 H new ATOM 164 N ASN A 548 1.398 -2.976 -5.365 1.00 0.00 N ATOM 165 CA ASN A 548 2.443 -2.279 -6.107 1.00 0.00 C ATOM 166 C ASN A 548 3.538 -1.763 -5.186 1.00 0.00 C ATOM 167 O ASN A 548 4.718 -1.998 -5.431 1.00 0.00 O ATOM 168 CB ASN A 548 1.853 -1.112 -6.911 1.00 0.00 C ATOM 169 CG ASN A 548 1.325 -1.535 -8.270 1.00 0.00 C ATOM 170 OD1 ASN A 548 1.789 -2.514 -8.858 1.00 0.00 O ATOM 171 ND2 ASN A 548 0.364 -0.785 -8.791 1.00 0.00 N ATOM 0 H ASN A 548 0.470 -2.565 -5.468 1.00 0.00 H new ATOM 0 HA ASN A 548 2.885 -3.001 -6.793 1.00 0.00 H new ATOM 0 HB2 ASN A 548 1.045 -0.656 -6.339 1.00 0.00 H new ATOM 0 HB3 ASN A 548 2.618 -0.348 -7.046 1.00 0.00 H new ATOM 0 HD21 ASN A 548 -0.017 -1.010 -9.710 1.00 0.00 H new ATOM 0 HD22 ASN A 548 0.006 0.018 -8.273 1.00 0.00 H new ATOM 178 N MET A 549 3.150 -1.070 -4.122 1.00 0.00 N ATOM 179 CA MET A 549 4.118 -0.495 -3.199 1.00 0.00 C ATOM 180 C MET A 549 4.874 -1.593 -2.462 1.00 0.00 C ATOM 181 O MET A 549 6.092 -1.532 -2.303 1.00 0.00 O ATOM 182 CB MET A 549 3.406 0.409 -2.205 1.00 0.00 C ATOM 183 CG MET A 549 2.521 1.460 -2.856 1.00 0.00 C ATOM 184 SD MET A 549 3.433 2.693 -3.810 1.00 0.00 S ATOM 185 CE MET A 549 3.617 1.856 -5.379 1.00 0.00 C ATOM 0 H MET A 549 2.175 -0.894 -3.878 1.00 0.00 H new ATOM 0 HA MET A 549 4.837 0.094 -3.768 1.00 0.00 H new ATOM 0 HB2 MET A 549 2.797 -0.205 -1.541 1.00 0.00 H new ATOM 0 HB3 MET A 549 4.150 0.908 -1.584 1.00 0.00 H new ATOM 0 HG2 MET A 549 1.806 0.963 -3.512 1.00 0.00 H new ATOM 0 HG3 MET A 549 1.945 1.967 -2.082 1.00 0.00 H new ATOM 0 HE1 MET A 549 3.580 2.586 -6.187 1.00 0.00 H new ATOM 0 HE2 MET A 549 4.575 1.336 -5.404 1.00 0.00 H new ATOM 0 HE3 MET A 549 2.809 1.135 -5.504 1.00 0.00 H new ATOM 195 N LYS A 550 4.128 -2.596 -2.025 1.00 0.00 N ATOM 196 CA LYS A 550 4.694 -3.765 -1.365 1.00 0.00 C ATOM 197 C LYS A 550 5.700 -4.469 -2.272 1.00 0.00 C ATOM 198 O LYS A 550 6.811 -4.779 -1.852 1.00 0.00 O ATOM 199 CB LYS A 550 3.554 -4.704 -0.951 1.00 0.00 C ATOM 200 CG LYS A 550 3.971 -6.111 -0.562 1.00 0.00 C ATOM 201 CD LYS A 550 2.913 -6.751 0.326 1.00 0.00 C ATOM 202 CE LYS A 550 3.063 -6.305 1.775 1.00 0.00 C ATOM 203 NZ LYS A 550 3.992 -7.187 2.532 1.00 0.00 N ATOM 0 H LYS A 550 3.113 -2.624 -2.117 1.00 0.00 H new ATOM 0 HA LYS A 550 5.237 -3.454 -0.472 1.00 0.00 H new ATOM 0 HB2 LYS A 550 3.025 -4.255 -0.110 1.00 0.00 H new ATOM 0 HB3 LYS A 550 2.844 -4.770 -1.775 1.00 0.00 H new ATOM 0 HG2 LYS A 550 4.117 -6.715 -1.458 1.00 0.00 H new ATOM 0 HG3 LYS A 550 4.926 -6.082 -0.038 1.00 0.00 H new ATOM 0 HD2 LYS A 550 1.920 -6.485 -0.038 1.00 0.00 H new ATOM 0 HD3 LYS A 550 2.994 -7.836 0.267 1.00 0.00 H new ATOM 0 HE2 LYS A 550 3.432 -5.280 1.803 1.00 0.00 H new ATOM 0 HE3 LYS A 550 2.086 -6.306 2.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 550 4.373 -6.670 3.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 550 3.479 -8.029 2.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 550 4.774 -7.480 1.913 1.00 0.00 H new ATOM 217 N SER A 551 5.313 -4.692 -3.515 1.00 0.00 N ATOM 218 CA SER A 551 6.182 -5.343 -4.482 1.00 0.00 C ATOM 219 C SER A 551 7.393 -4.477 -4.803 1.00 0.00 C ATOM 220 O SER A 551 8.480 -4.990 -5.029 1.00 0.00 O ATOM 221 CB SER A 551 5.408 -5.643 -5.767 1.00 0.00 C ATOM 222 OG SER A 551 6.153 -6.483 -6.636 1.00 0.00 O ATOM 0 H SER A 551 4.398 -4.431 -3.881 1.00 0.00 H new ATOM 0 HA SER A 551 6.533 -6.277 -4.043 1.00 0.00 H new ATOM 0 HB2 SER A 551 4.461 -6.122 -5.520 1.00 0.00 H new ATOM 0 HB3 SER A 551 5.170 -4.709 -6.277 1.00 0.00 H new ATOM 0 HG SER A 551 5.632 -6.658 -7.447 1.00 0.00 H new ATOM 228 N ALA A 552 7.193 -3.167 -4.845 1.00 0.00 N ATOM 229 CA ALA A 552 8.259 -2.236 -5.203 1.00 0.00 C ATOM 230 C ALA A 552 9.405 -2.258 -4.193 1.00 0.00 C ATOM 231 O ALA A 552 10.570 -2.313 -4.567 1.00 0.00 O ATOM 232 CB ALA A 552 7.709 -0.825 -5.344 1.00 0.00 C ATOM 0 H ALA A 552 6.300 -2.722 -4.635 1.00 0.00 H new ATOM 0 HA ALA A 552 8.662 -2.561 -6.162 1.00 0.00 H new ATOM 0 HB1 ALA A 552 8.517 -0.144 -5.611 1.00 0.00 H new ATOM 0 HB2 ALA A 552 6.947 -0.808 -6.124 1.00 0.00 H new ATOM 0 HB3 ALA A 552 7.267 -0.510 -4.398 1.00 0.00 H new ATOM 238 N VAL A 553 9.075 -2.226 -2.914 1.00 0.00 N ATOM 239 CA VAL A 553 10.097 -2.217 -1.871 1.00 0.00 C ATOM 240 C VAL A 553 10.697 -3.602 -1.676 1.00 0.00 C ATOM 241 O VAL A 553 11.885 -3.750 -1.391 1.00 0.00 O ATOM 242 CB VAL A 553 9.516 -1.715 -0.545 1.00 0.00 C ATOM 243 CG1 VAL A 553 9.025 -0.299 -0.731 1.00 0.00 C ATOM 244 CG2 VAL A 553 8.387 -2.614 -0.062 1.00 0.00 C ATOM 0 H VAL A 553 8.115 -2.206 -2.570 1.00 0.00 H new ATOM 0 HA VAL A 553 10.887 -1.538 -2.193 1.00 0.00 H new ATOM 0 HB VAL A 553 10.296 -1.737 0.216 1.00 0.00 H new ATOM 0 HG11 VAL A 553 8.609 0.068 0.207 1.00 0.00 H new ATOM 0 HG12 VAL A 553 9.857 0.338 -1.033 1.00 0.00 H new ATOM 0 HG13 VAL A 553 8.254 -0.279 -1.502 1.00 0.00 H new ATOM 0 HG21 VAL A 553 7.995 -2.232 0.881 1.00 0.00 H new ATOM 0 HG22 VAL A 553 7.591 -2.630 -0.806 1.00 0.00 H new ATOM 0 HG23 VAL A 553 8.765 -3.626 0.086 1.00 0.00 H new ATOM 254 N GLU A 554 9.857 -4.606 -1.838 1.00 0.00 N ATOM 255 CA GLU A 554 10.256 -5.990 -1.686 1.00 0.00 C ATOM 256 C GLU A 554 10.813 -6.556 -2.992 1.00 0.00 C ATOM 257 O GLU A 554 11.155 -7.736 -3.080 1.00 0.00 O ATOM 258 CB GLU A 554 9.051 -6.787 -1.205 1.00 0.00 C ATOM 259 CG GLU A 554 9.129 -7.164 0.259 1.00 0.00 C ATOM 260 CD GLU A 554 10.104 -8.285 0.535 1.00 0.00 C ATOM 261 OE1 GLU A 554 11.315 -8.012 0.644 1.00 0.00 O ATOM 262 OE2 GLU A 554 9.661 -9.442 0.670 1.00 0.00 O ATOM 0 H GLU A 554 8.874 -4.483 -2.080 1.00 0.00 H new ATOM 0 HA GLU A 554 11.058 -6.061 -0.951 1.00 0.00 H new ATOM 0 HB2 GLU A 554 8.146 -6.203 -1.375 1.00 0.00 H new ATOM 0 HB3 GLU A 554 8.962 -7.694 -1.803 1.00 0.00 H new ATOM 0 HG2 GLU A 554 9.420 -6.288 0.838 1.00 0.00 H new ATOM 0 HG3 GLU A 554 8.138 -7.460 0.604 1.00 0.00 H new ATOM 269 N ASP A 555 10.908 -5.695 -3.994 1.00 0.00 N ATOM 270 CA ASP A 555 11.432 -6.066 -5.307 1.00 0.00 C ATOM 271 C ASP A 555 12.895 -6.473 -5.219 1.00 0.00 C ATOM 272 O ASP A 555 13.674 -5.885 -4.475 1.00 0.00 O ATOM 273 CB ASP A 555 11.284 -4.894 -6.282 1.00 0.00 C ATOM 274 CG ASP A 555 11.771 -5.221 -7.676 1.00 0.00 C ATOM 275 OD1 ASP A 555 10.998 -5.812 -8.462 1.00 0.00 O ATOM 276 OD2 ASP A 555 12.921 -4.880 -8.002 1.00 0.00 O ATOM 0 H ASP A 555 10.625 -4.718 -3.923 1.00 0.00 H new ATOM 0 HA ASP A 555 10.857 -6.918 -5.670 1.00 0.00 H new ATOM 0 HB2 ASP A 555 10.236 -4.598 -6.329 1.00 0.00 H new ATOM 0 HB3 ASP A 555 11.840 -4.038 -5.900 1.00 0.00 H new ATOM 281 N GLU A 556 13.258 -7.482 -5.998 1.00 0.00 N ATOM 282 CA GLU A 556 14.605 -8.039 -5.977 1.00 0.00 C ATOM 283 C GLU A 556 15.637 -7.077 -6.555 1.00 0.00 C ATOM 284 O GLU A 556 16.836 -7.229 -6.321 1.00 0.00 O ATOM 285 CB GLU A 556 14.641 -9.346 -6.748 1.00 0.00 C ATOM 286 CG GLU A 556 13.634 -10.365 -6.254 1.00 0.00 C ATOM 287 CD GLU A 556 13.755 -11.683 -6.975 1.00 0.00 C ATOM 288 OE1 GLU A 556 14.543 -12.537 -6.520 1.00 0.00 O ATOM 289 OE2 GLU A 556 13.063 -11.876 -7.996 1.00 0.00 O ATOM 0 H GLU A 556 12.630 -7.937 -6.661 1.00 0.00 H new ATOM 0 HA GLU A 556 14.864 -8.215 -4.933 1.00 0.00 H new ATOM 0 HB2 GLU A 556 14.453 -9.142 -7.802 1.00 0.00 H new ATOM 0 HB3 GLU A 556 15.642 -9.772 -6.679 1.00 0.00 H new ATOM 0 HG2 GLU A 556 13.775 -10.524 -5.185 1.00 0.00 H new ATOM 0 HG3 GLU A 556 12.626 -9.971 -6.387 1.00 0.00 H new ATOM 296 N GLY A 557 15.179 -6.095 -7.311 1.00 0.00 N ATOM 297 CA GLY A 557 16.086 -5.119 -7.870 1.00 0.00 C ATOM 298 C GLY A 557 16.121 -3.867 -7.027 1.00 0.00 C ATOM 299 O GLY A 557 17.157 -3.213 -6.901 1.00 0.00 O ATOM 0 H GLY A 557 14.197 -5.956 -7.548 1.00 0.00 H new ATOM 0 HA2 GLY A 557 17.087 -5.544 -7.937 1.00 0.00 H new ATOM 0 HA3 GLY A 557 15.777 -4.870 -8.885 1.00 0.00 H new ATOM 303 N LEU A 558 14.983 -3.547 -6.432 1.00 0.00 N ATOM 304 CA LEU A 558 14.866 -2.378 -5.581 1.00 0.00 C ATOM 305 C LEU A 558 15.278 -2.678 -4.144 1.00 0.00 C ATOM 306 O LEU A 558 15.350 -1.769 -3.315 1.00 0.00 O ATOM 307 CB LEU A 558 13.447 -1.829 -5.631 1.00 0.00 C ATOM 308 CG LEU A 558 13.128 -1.006 -6.883 1.00 0.00 C ATOM 309 CD1 LEU A 558 11.633 -0.830 -7.031 1.00 0.00 C ATOM 310 CD2 LEU A 558 13.810 0.352 -6.821 1.00 0.00 C ATOM 0 H LEU A 558 14.122 -4.086 -6.525 1.00 0.00 H new ATOM 0 HA LEU A 558 15.551 -1.621 -5.962 1.00 0.00 H new ATOM 0 HB2 LEU A 558 12.746 -2.662 -5.571 1.00 0.00 H new ATOM 0 HB3 LEU A 558 13.280 -1.208 -4.751 1.00 0.00 H new ATOM 0 HG LEU A 558 13.507 -1.545 -7.751 1.00 0.00 H new ATOM 0 HD11 LEU A 558 11.422 -0.243 -7.925 1.00 0.00 H new ATOM 0 HD12 LEU A 558 11.158 -1.807 -7.118 1.00 0.00 H new ATOM 0 HD13 LEU A 558 11.239 -0.312 -6.156 1.00 0.00 H new ATOM 0 HD21 LEU A 558 13.571 0.921 -7.720 1.00 0.00 H new ATOM 0 HD22 LEU A 558 13.460 0.895 -5.944 1.00 0.00 H new ATOM 0 HD23 LEU A 558 14.889 0.214 -6.755 1.00 0.00 H new ATOM 322 N LYS A 559 15.548 -3.944 -3.842 1.00 0.00 N ATOM 323 CA LYS A 559 16.067 -4.292 -2.530 1.00 0.00 C ATOM 324 C LYS A 559 17.475 -3.712 -2.376 1.00 0.00 C ATOM 325 O LYS A 559 18.423 -4.147 -3.037 1.00 0.00 O ATOM 326 CB LYS A 559 16.058 -5.817 -2.287 1.00 0.00 C ATOM 327 CG LYS A 559 16.863 -6.633 -3.291 1.00 0.00 C ATOM 328 CD LYS A 559 17.076 -8.071 -2.827 1.00 0.00 C ATOM 329 CE LYS A 559 15.773 -8.854 -2.762 1.00 0.00 C ATOM 330 NZ LYS A 559 16.000 -10.287 -2.430 1.00 0.00 N ATOM 0 H LYS A 559 15.418 -4.731 -4.477 1.00 0.00 H new ATOM 0 HA LYS A 559 15.413 -3.859 -1.773 1.00 0.00 H new ATOM 0 HB2 LYS A 559 16.446 -6.013 -1.288 1.00 0.00 H new ATOM 0 HB3 LYS A 559 15.026 -6.166 -2.302 1.00 0.00 H new ATOM 0 HG2 LYS A 559 16.347 -6.636 -4.251 1.00 0.00 H new ATOM 0 HG3 LYS A 559 17.831 -6.157 -3.450 1.00 0.00 H new ATOM 0 HD2 LYS A 559 17.765 -8.572 -3.507 1.00 0.00 H new ATOM 0 HD3 LYS A 559 17.545 -8.068 -1.843 1.00 0.00 H new ATOM 0 HE2 LYS A 559 15.119 -8.408 -2.013 1.00 0.00 H new ATOM 0 HE3 LYS A 559 15.258 -8.781 -3.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 559 15.087 -10.784 -2.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 559 16.603 -10.721 -3.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 559 16.468 -10.359 -1.504 1.00 0.00 H new ATOM 344 N GLY A 560 17.593 -2.702 -1.529 1.00 0.00 N ATOM 345 CA GLY A 560 18.845 -1.983 -1.399 1.00 0.00 C ATOM 346 C GLY A 560 18.730 -0.569 -1.926 1.00 0.00 C ATOM 347 O GLY A 560 19.506 0.314 -1.550 1.00 0.00 O ATOM 0 H GLY A 560 16.842 -2.365 -0.927 1.00 0.00 H new ATOM 0 HA2 GLY A 560 19.145 -1.959 -0.351 1.00 0.00 H new ATOM 0 HA3 GLY A 560 19.628 -2.512 -1.942 1.00 0.00 H new ATOM 351 N LYS A 561 17.756 -0.356 -2.803 1.00 0.00 N ATOM 352 CA LYS A 561 17.476 0.967 -3.345 1.00 0.00 C ATOM 353 C LYS A 561 16.734 1.794 -2.307 1.00 0.00 C ATOM 354 O LYS A 561 16.939 3.001 -2.183 1.00 0.00 O ATOM 355 CB LYS A 561 16.623 0.850 -4.609 1.00 0.00 C ATOM 356 CG LYS A 561 17.303 0.116 -5.752 1.00 0.00 C ATOM 357 CD LYS A 561 18.088 1.057 -6.642 1.00 0.00 C ATOM 358 CE LYS A 561 18.796 0.289 -7.737 1.00 0.00 C ATOM 359 NZ LYS A 561 19.376 1.185 -8.770 1.00 0.00 N ATOM 0 H LYS A 561 17.142 -1.090 -3.156 1.00 0.00 H new ATOM 0 HA LYS A 561 18.418 1.454 -3.597 1.00 0.00 H new ATOM 0 HB2 LYS A 561 15.695 0.334 -4.361 1.00 0.00 H new ATOM 0 HB3 LYS A 561 16.352 1.851 -4.945 1.00 0.00 H new ATOM 0 HG2 LYS A 561 17.972 -0.644 -5.348 1.00 0.00 H new ATOM 0 HG3 LYS A 561 16.552 -0.404 -6.347 1.00 0.00 H new ATOM 0 HD2 LYS A 561 17.417 1.794 -7.083 1.00 0.00 H new ATOM 0 HD3 LYS A 561 18.817 1.606 -6.046 1.00 0.00 H new ATOM 0 HE2 LYS A 561 19.589 -0.317 -7.298 1.00 0.00 H new ATOM 0 HE3 LYS A 561 18.093 -0.398 -8.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 561 19.850 0.614 -9.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 561 18.618 1.745 -9.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 561 20.067 1.824 -8.327 1.00 0.00 H new ATOM 373 N ILE A 562 15.868 1.124 -1.567 1.00 0.00 N ATOM 374 CA ILE A 562 15.107 1.755 -0.506 1.00 0.00 C ATOM 375 C ILE A 562 15.671 1.335 0.846 1.00 0.00 C ATOM 376 O ILE A 562 16.325 0.294 0.956 1.00 0.00 O ATOM 377 CB ILE A 562 13.615 1.377 -0.593 1.00 0.00 C ATOM 378 CG1 ILE A 562 12.793 2.239 0.349 1.00 0.00 C ATOM 379 CG2 ILE A 562 13.400 -0.094 -0.278 1.00 0.00 C ATOM 380 CD1 ILE A 562 11.360 1.799 0.440 1.00 0.00 C ATOM 0 H ILE A 562 15.674 0.130 -1.685 1.00 0.00 H new ATOM 0 HA ILE A 562 15.190 2.836 -0.618 1.00 0.00 H new ATOM 0 HB ILE A 562 13.285 1.557 -1.616 1.00 0.00 H new ATOM 0 HG12 ILE A 562 13.240 2.212 1.343 1.00 0.00 H new ATOM 0 HG13 ILE A 562 12.829 3.275 0.011 1.00 0.00 H new ATOM 0 HG21 ILE A 562 12.338 -0.330 -0.348 1.00 0.00 H new ATOM 0 HG22 ILE A 562 13.954 -0.704 -0.991 1.00 0.00 H new ATOM 0 HG23 ILE A 562 13.753 -0.305 0.731 1.00 0.00 H new ATOM 0 HD11 ILE A 562 10.822 2.452 1.127 1.00 0.00 H new ATOM 0 HD12 ILE A 562 10.900 1.852 -0.547 1.00 0.00 H new ATOM 0 HD13 ILE A 562 11.317 0.773 0.805 1.00 0.00 H new ATOM 392 N SER A 563 15.437 2.142 1.866 1.00 0.00 N ATOM 393 CA SER A 563 15.913 1.827 3.195 1.00 0.00 C ATOM 394 C SER A 563 15.010 0.786 3.838 1.00 0.00 C ATOM 395 O SER A 563 13.811 0.744 3.546 1.00 0.00 O ATOM 396 CB SER A 563 15.982 3.092 4.051 1.00 0.00 C ATOM 397 OG SER A 563 16.768 4.086 3.411 1.00 0.00 O ATOM 0 H SER A 563 14.920 3.019 1.796 1.00 0.00 H new ATOM 0 HA SER A 563 16.919 1.414 3.122 1.00 0.00 H new ATOM 0 HB2 SER A 563 14.976 3.474 4.227 1.00 0.00 H new ATOM 0 HB3 SER A 563 16.408 2.855 5.026 1.00 0.00 H new ATOM 0 HG SER A 563 16.800 4.889 3.972 1.00 0.00 H new ATOM 403 N GLU A 564 15.577 -0.045 4.695 1.00 0.00 N ATOM 404 CA GLU A 564 14.856 -1.141 5.307 1.00 0.00 C ATOM 405 C GLU A 564 13.574 -0.673 5.990 1.00 0.00 C ATOM 406 O GLU A 564 12.512 -1.266 5.811 1.00 0.00 O ATOM 407 CB GLU A 564 15.782 -1.856 6.297 1.00 0.00 C ATOM 408 CG GLU A 564 16.975 -1.025 6.786 1.00 0.00 C ATOM 409 CD GLU A 564 16.600 0.149 7.674 1.00 0.00 C ATOM 410 OE1 GLU A 564 16.206 1.207 7.137 1.00 0.00 O ATOM 411 OE2 GLU A 564 16.728 0.029 8.907 1.00 0.00 O ATOM 0 H GLU A 564 16.553 0.024 4.985 1.00 0.00 H new ATOM 0 HA GLU A 564 14.550 -1.837 4.526 1.00 0.00 H new ATOM 0 HB2 GLU A 564 15.195 -2.165 7.162 1.00 0.00 H new ATOM 0 HB3 GLU A 564 16.159 -2.764 5.827 1.00 0.00 H new ATOM 0 HG2 GLU A 564 17.656 -1.676 7.334 1.00 0.00 H new ATOM 0 HG3 GLU A 564 17.520 -0.650 5.920 1.00 0.00 H new ATOM 418 N ALA A 565 13.678 0.410 6.736 1.00 0.00 N ATOM 419 CA ALA A 565 12.548 0.950 7.476 1.00 0.00 C ATOM 420 C ALA A 565 11.422 1.416 6.553 1.00 0.00 C ATOM 421 O ALA A 565 10.246 1.205 6.855 1.00 0.00 O ATOM 422 CB ALA A 565 13.007 2.088 8.358 1.00 0.00 C ATOM 0 H ALA A 565 14.542 0.940 6.848 1.00 0.00 H new ATOM 0 HA ALA A 565 12.146 0.147 8.094 1.00 0.00 H new ATOM 0 HB1 ALA A 565 12.156 2.487 8.909 1.00 0.00 H new ATOM 0 HB2 ALA A 565 13.756 1.724 9.061 1.00 0.00 H new ATOM 0 HB3 ALA A 565 13.441 2.875 7.741 1.00 0.00 H new ATOM 428 N ASP A 566 11.772 2.062 5.442 1.00 0.00 N ATOM 429 CA ASP A 566 10.764 2.507 4.477 1.00 0.00 C ATOM 430 C ASP A 566 10.099 1.299 3.843 1.00 0.00 C ATOM 431 O ASP A 566 8.879 1.245 3.704 1.00 0.00 O ATOM 432 CB ASP A 566 11.374 3.383 3.379 1.00 0.00 C ATOM 433 CG ASP A 566 12.001 4.657 3.914 1.00 0.00 C ATOM 434 OD1 ASP A 566 11.278 5.661 4.079 1.00 0.00 O ATOM 435 OD2 ASP A 566 13.223 4.664 4.165 1.00 0.00 O ATOM 0 H ASP A 566 12.734 2.288 5.188 1.00 0.00 H new ATOM 0 HA ASP A 566 10.029 3.105 5.016 1.00 0.00 H new ATOM 0 HB2 ASP A 566 12.131 2.810 2.844 1.00 0.00 H new ATOM 0 HB3 ASP A 566 10.600 3.642 2.657 1.00 0.00 H new ATOM 440 N LYS A 567 10.924 0.337 3.462 1.00 0.00 N ATOM 441 CA LYS A 567 10.459 -0.932 2.937 1.00 0.00 C ATOM 442 C LYS A 567 9.487 -1.595 3.914 1.00 0.00 C ATOM 443 O LYS A 567 8.402 -2.024 3.532 1.00 0.00 O ATOM 444 CB LYS A 567 11.679 -1.821 2.716 1.00 0.00 C ATOM 445 CG LYS A 567 11.385 -3.189 2.157 1.00 0.00 C ATOM 446 CD LYS A 567 12.623 -4.062 2.235 1.00 0.00 C ATOM 447 CE LYS A 567 12.493 -5.259 1.332 1.00 0.00 C ATOM 448 NZ LYS A 567 13.738 -6.073 1.285 1.00 0.00 N ATOM 0 H LYS A 567 11.940 0.417 3.509 1.00 0.00 H new ATOM 0 HA LYS A 567 9.927 -0.777 1.998 1.00 0.00 H new ATOM 0 HB2 LYS A 567 12.363 -1.309 2.039 1.00 0.00 H new ATOM 0 HB3 LYS A 567 12.199 -1.939 3.667 1.00 0.00 H new ATOM 0 HG2 LYS A 567 10.570 -3.650 2.714 1.00 0.00 H new ATOM 0 HG3 LYS A 567 11.055 -3.104 1.122 1.00 0.00 H new ATOM 0 HD2 LYS A 567 13.501 -3.481 1.952 1.00 0.00 H new ATOM 0 HD3 LYS A 567 12.777 -4.391 3.263 1.00 0.00 H new ATOM 0 HE2 LYS A 567 11.668 -5.882 1.676 1.00 0.00 H new ATOM 0 HE3 LYS A 567 12.242 -4.925 0.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 13.598 -6.885 0.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 14.522 -5.488 0.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 13.965 -6.415 2.240 1.00 0.00 H new ATOM 462 N LYS A 568 9.874 -1.644 5.178 1.00 0.00 N ATOM 463 CA LYS A 568 9.060 -2.268 6.211 1.00 0.00 C ATOM 464 C LYS A 568 7.743 -1.532 6.425 1.00 0.00 C ATOM 465 O LYS A 568 6.683 -2.157 6.446 1.00 0.00 O ATOM 466 CB LYS A 568 9.824 -2.328 7.528 1.00 0.00 C ATOM 467 CG LYS A 568 10.955 -3.340 7.536 1.00 0.00 C ATOM 468 CD LYS A 568 11.636 -3.387 8.891 1.00 0.00 C ATOM 469 CE LYS A 568 10.642 -3.704 10.000 1.00 0.00 C ATOM 470 NZ LYS A 568 9.894 -4.966 9.743 1.00 0.00 N ATOM 0 H LYS A 568 10.754 -1.256 5.516 1.00 0.00 H new ATOM 0 HA LYS A 568 8.833 -3.278 5.869 1.00 0.00 H new ATOM 0 HB2 LYS A 568 10.231 -1.341 7.746 1.00 0.00 H new ATOM 0 HB3 LYS A 568 9.127 -2.570 8.331 1.00 0.00 H new ATOM 0 HG2 LYS A 568 10.566 -4.327 7.287 1.00 0.00 H new ATOM 0 HG3 LYS A 568 11.684 -3.082 6.768 1.00 0.00 H new ATOM 0 HD2 LYS A 568 12.423 -4.141 8.879 1.00 0.00 H new ATOM 0 HD3 LYS A 568 12.116 -2.429 9.093 1.00 0.00 H new ATOM 0 HE2 LYS A 568 11.173 -3.785 10.949 1.00 0.00 H new ATOM 0 HE3 LYS A 568 9.936 -2.879 10.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 9.357 -5.231 10.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 9.237 -4.825 8.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 10.565 -5.725 9.507 1.00 0.00 H new ATOM 484 N LYS A 569 7.810 -0.210 6.580 1.00 0.00 N ATOM 485 CA LYS A 569 6.623 0.578 6.903 1.00 0.00 C ATOM 486 C LYS A 569 5.561 0.410 5.827 1.00 0.00 C ATOM 487 O LYS A 569 4.388 0.197 6.128 1.00 0.00 O ATOM 488 CB LYS A 569 6.975 2.069 7.080 1.00 0.00 C ATOM 489 CG LYS A 569 7.305 2.802 5.784 1.00 0.00 C ATOM 490 CD LYS A 569 7.776 4.224 6.043 1.00 0.00 C ATOM 491 CE LYS A 569 6.624 5.213 6.001 1.00 0.00 C ATOM 492 NZ LYS A 569 7.015 6.538 6.542 1.00 0.00 N ATOM 0 H LYS A 569 8.668 0.334 6.488 1.00 0.00 H new ATOM 0 HA LYS A 569 6.225 0.210 7.848 1.00 0.00 H new ATOM 0 HB2 LYS A 569 6.137 2.572 7.563 1.00 0.00 H new ATOM 0 HB3 LYS A 569 7.827 2.150 7.755 1.00 0.00 H new ATOM 0 HG2 LYS A 569 8.079 2.256 5.244 1.00 0.00 H new ATOM 0 HG3 LYS A 569 6.423 2.822 5.143 1.00 0.00 H new ATOM 0 HD2 LYS A 569 8.264 4.274 7.017 1.00 0.00 H new ATOM 0 HD3 LYS A 569 8.522 4.502 5.298 1.00 0.00 H new ATOM 0 HE2 LYS A 569 6.280 5.327 4.973 1.00 0.00 H new ATOM 0 HE3 LYS A 569 5.786 4.819 6.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 569 6.202 7.185 6.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 569 7.319 6.433 7.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 569 7.798 6.926 5.978 1.00 0.00 H new ATOM 506 N VAL A 570 5.984 0.485 4.575 1.00 0.00 N ATOM 507 CA VAL A 570 5.065 0.381 3.470 1.00 0.00 C ATOM 508 C VAL A 570 4.521 -1.043 3.347 1.00 0.00 C ATOM 509 O VAL A 570 3.330 -1.227 3.150 1.00 0.00 O ATOM 510 CB VAL A 570 5.707 0.849 2.149 1.00 0.00 C ATOM 511 CG1 VAL A 570 6.838 -0.067 1.737 1.00 0.00 C ATOM 512 CG2 VAL A 570 4.659 0.945 1.056 1.00 0.00 C ATOM 0 H VAL A 570 6.959 0.618 4.306 1.00 0.00 H new ATOM 0 HA VAL A 570 4.227 1.047 3.675 1.00 0.00 H new ATOM 0 HB VAL A 570 6.129 1.841 2.308 1.00 0.00 H new ATOM 0 HG11 VAL A 570 7.272 0.288 0.802 1.00 0.00 H new ATOM 0 HG12 VAL A 570 7.603 -0.072 2.513 1.00 0.00 H new ATOM 0 HG13 VAL A 570 6.455 -1.078 1.599 1.00 0.00 H new ATOM 0 HG21 VAL A 570 5.128 1.277 0.130 1.00 0.00 H new ATOM 0 HG22 VAL A 570 4.203 -0.033 0.902 1.00 0.00 H new ATOM 0 HG23 VAL A 570 3.891 1.661 1.350 1.00 0.00 H new ATOM 522 N LEU A 571 5.387 -2.048 3.495 1.00 0.00 N ATOM 523 CA LEU A 571 4.956 -3.446 3.435 1.00 0.00 C ATOM 524 C LEU A 571 3.927 -3.733 4.519 1.00 0.00 C ATOM 525 O LEU A 571 2.889 -4.344 4.259 1.00 0.00 O ATOM 526 CB LEU A 571 6.143 -4.401 3.619 1.00 0.00 C ATOM 527 CG LEU A 571 7.113 -4.524 2.448 1.00 0.00 C ATOM 528 CD1 LEU A 571 8.436 -5.099 2.929 1.00 0.00 C ATOM 529 CD2 LEU A 571 6.536 -5.411 1.363 1.00 0.00 C ATOM 0 H LEU A 571 6.386 -1.921 3.656 1.00 0.00 H new ATOM 0 HA LEU A 571 4.515 -3.608 2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 571 6.706 -4.078 4.495 1.00 0.00 H new ATOM 0 HB3 LEU A 571 5.750 -5.393 3.841 1.00 0.00 H new ATOM 0 HG LEU A 571 7.278 -3.530 2.033 1.00 0.00 H new ATOM 0 HD11 LEU A 571 9.123 -5.184 2.087 1.00 0.00 H new ATOM 0 HD12 LEU A 571 8.866 -4.440 3.684 1.00 0.00 H new ATOM 0 HD13 LEU A 571 8.268 -6.085 3.361 1.00 0.00 H new ATOM 0 HD21 LEU A 571 7.245 -5.484 0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 571 6.346 -6.405 1.768 1.00 0.00 H new ATOM 0 HD23 LEU A 571 5.601 -4.982 1.001 1.00 0.00 H new ATOM 541 N ASP A 572 4.229 -3.284 5.730 1.00 0.00 N ATOM 542 CA ASP A 572 3.356 -3.501 6.874 1.00 0.00 C ATOM 543 C ASP A 572 2.006 -2.842 6.642 1.00 0.00 C ATOM 544 O ASP A 572 0.961 -3.467 6.795 1.00 0.00 O ATOM 545 CB ASP A 572 4.000 -2.927 8.138 1.00 0.00 C ATOM 546 CG ASP A 572 3.216 -3.248 9.391 1.00 0.00 C ATOM 547 OD1 ASP A 572 3.185 -4.434 9.791 1.00 0.00 O ATOM 548 OD2 ASP A 572 2.637 -2.322 9.991 1.00 0.00 O ATOM 0 H ASP A 572 5.079 -2.763 5.945 1.00 0.00 H new ATOM 0 HA ASP A 572 3.208 -4.573 7.000 1.00 0.00 H new ATOM 0 HB2 ASP A 572 5.011 -3.321 8.236 1.00 0.00 H new ATOM 0 HB3 ASP A 572 4.088 -1.845 8.037 1.00 0.00 H new ATOM 553 N LYS A 573 2.053 -1.586 6.224 1.00 0.00 N ATOM 554 CA LYS A 573 0.855 -0.819 5.923 1.00 0.00 C ATOM 555 C LYS A 573 0.089 -1.447 4.761 1.00 0.00 C ATOM 556 O LYS A 573 -1.136 -1.540 4.800 1.00 0.00 O ATOM 557 CB LYS A 573 1.262 0.624 5.616 1.00 0.00 C ATOM 558 CG LYS A 573 0.229 1.457 4.875 1.00 0.00 C ATOM 559 CD LYS A 573 -1.058 1.631 5.645 1.00 0.00 C ATOM 560 CE LYS A 573 -1.948 2.649 4.961 1.00 0.00 C ATOM 561 NZ LYS A 573 -3.222 2.856 5.701 1.00 0.00 N ATOM 0 H LYS A 573 2.922 -1.071 6.084 1.00 0.00 H new ATOM 0 HA LYS A 573 0.185 -0.824 6.783 1.00 0.00 H new ATOM 0 HB2 LYS A 573 1.498 1.123 6.556 1.00 0.00 H new ATOM 0 HB3 LYS A 573 2.178 0.606 5.026 1.00 0.00 H new ATOM 0 HG2 LYS A 573 0.651 2.438 4.658 1.00 0.00 H new ATOM 0 HG3 LYS A 573 0.011 0.985 3.917 1.00 0.00 H new ATOM 0 HD2 LYS A 573 -1.577 0.676 5.719 1.00 0.00 H new ATOM 0 HD3 LYS A 573 -0.840 1.955 6.663 1.00 0.00 H new ATOM 0 HE2 LYS A 573 -1.418 3.598 4.878 1.00 0.00 H new ATOM 0 HE3 LYS A 573 -2.167 2.317 3.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 573 -3.989 3.046 5.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 573 -3.448 2.002 6.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 573 -3.121 3.665 6.347 1.00 0.00 H new ATOM 575 N CYS A 574 0.818 -1.894 3.742 1.00 0.00 N ATOM 576 CA CYS A 574 0.208 -2.543 2.585 1.00 0.00 C ATOM 577 C CYS A 574 -0.491 -3.831 2.997 1.00 0.00 C ATOM 578 O CYS A 574 -1.561 -4.155 2.496 1.00 0.00 O ATOM 579 CB CYS A 574 1.251 -2.829 1.501 1.00 0.00 C ATOM 580 SG CYS A 574 1.908 -1.348 0.703 1.00 0.00 S ATOM 0 H CYS A 574 1.834 -1.818 3.694 1.00 0.00 H new ATOM 0 HA CYS A 574 -0.535 -1.860 2.173 1.00 0.00 H new ATOM 0 HB2 CYS A 574 2.076 -3.387 1.944 1.00 0.00 H new ATOM 0 HB3 CYS A 574 0.804 -3.470 0.741 1.00 0.00 H new ATOM 0 HG CYS A 574 2.664 -0.703 1.541 1.00 0.00 H new ATOM 586 N GLN A 575 0.119 -4.566 3.913 1.00 0.00 N ATOM 587 CA GLN A 575 -0.483 -5.780 4.432 1.00 0.00 C ATOM 588 C GLN A 575 -1.741 -5.464 5.228 1.00 0.00 C ATOM 589 O GLN A 575 -2.747 -6.155 5.096 1.00 0.00 O ATOM 590 CB GLN A 575 0.515 -6.536 5.301 1.00 0.00 C ATOM 591 CG GLN A 575 1.109 -7.754 4.615 1.00 0.00 C ATOM 592 CD GLN A 575 0.071 -8.827 4.332 1.00 0.00 C ATOM 593 OE1 GLN A 575 -0.170 -9.706 5.158 1.00 0.00 O ATOM 594 NE2 GLN A 575 -0.550 -8.769 3.162 1.00 0.00 N ATOM 0 H GLN A 575 1.031 -4.342 4.311 1.00 0.00 H new ATOM 0 HA GLN A 575 -0.762 -6.410 3.587 1.00 0.00 H new ATOM 0 HB2 GLN A 575 1.321 -5.860 5.588 1.00 0.00 H new ATOM 0 HB3 GLN A 575 0.020 -6.851 6.220 1.00 0.00 H new ATOM 0 HG2 GLN A 575 1.575 -7.448 3.678 1.00 0.00 H new ATOM 0 HG3 GLN A 575 1.897 -8.172 5.242 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -0.324 -8.025 2.501 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -1.253 -9.468 2.923 1.00 0.00 H new ATOM 603 N GLU A 576 -1.678 -4.409 6.032 1.00 0.00 N ATOM 604 CA GLU A 576 -2.822 -3.985 6.830 1.00 0.00 C ATOM 605 C GLU A 576 -4.006 -3.645 5.935 1.00 0.00 C ATOM 606 O GLU A 576 -5.114 -4.145 6.135 1.00 0.00 O ATOM 607 CB GLU A 576 -2.452 -2.781 7.695 1.00 0.00 C ATOM 608 CG GLU A 576 -1.363 -3.078 8.712 1.00 0.00 C ATOM 609 CD GLU A 576 -1.048 -1.891 9.597 1.00 0.00 C ATOM 610 OE1 GLU A 576 -0.783 -0.795 9.060 1.00 0.00 O ATOM 611 OE2 GLU A 576 -1.075 -2.048 10.839 1.00 0.00 O ATOM 0 H GLU A 576 -0.846 -3.831 6.149 1.00 0.00 H new ATOM 0 HA GLU A 576 -3.108 -4.810 7.482 1.00 0.00 H new ATOM 0 HB2 GLU A 576 -2.123 -1.967 7.049 1.00 0.00 H new ATOM 0 HB3 GLU A 576 -3.342 -2.432 8.219 1.00 0.00 H new ATOM 0 HG2 GLU A 576 -1.673 -3.918 9.334 1.00 0.00 H new ATOM 0 HG3 GLU A 576 -0.458 -3.386 8.189 1.00 0.00 H new ATOM 618 N VAL A 577 -3.761 -2.813 4.932 1.00 0.00 N ATOM 619 CA VAL A 577 -4.808 -2.417 4.000 1.00 0.00 C ATOM 620 C VAL A 577 -5.281 -3.601 3.155 1.00 0.00 C ATOM 621 O VAL A 577 -6.468 -3.732 2.872 1.00 0.00 O ATOM 622 CB VAL A 577 -4.366 -1.253 3.085 1.00 0.00 C ATOM 623 CG1 VAL A 577 -3.011 -1.502 2.481 1.00 0.00 C ATOM 624 CG2 VAL A 577 -5.365 -1.019 1.978 1.00 0.00 C ATOM 0 H VAL A 577 -2.848 -2.400 4.743 1.00 0.00 H new ATOM 0 HA VAL A 577 -5.643 -2.066 4.606 1.00 0.00 H new ATOM 0 HB VAL A 577 -4.311 -0.366 3.716 1.00 0.00 H new ATOM 0 HG11 VAL A 577 -2.736 -0.661 1.844 1.00 0.00 H new ATOM 0 HG12 VAL A 577 -2.273 -1.612 3.276 1.00 0.00 H new ATOM 0 HG13 VAL A 577 -3.040 -2.414 1.885 1.00 0.00 H new ATOM 0 HG21 VAL A 577 -5.027 -0.194 1.351 1.00 0.00 H new ATOM 0 HG22 VAL A 577 -5.456 -1.921 1.373 1.00 0.00 H new ATOM 0 HG23 VAL A 577 -6.335 -0.772 2.409 1.00 0.00 H new ATOM 634 N ILE A 578 -4.360 -4.469 2.761 1.00 0.00 N ATOM 635 CA ILE A 578 -4.715 -5.644 1.977 1.00 0.00 C ATOM 636 C ILE A 578 -5.594 -6.610 2.787 1.00 0.00 C ATOM 637 O ILE A 578 -6.563 -7.163 2.261 1.00 0.00 O ATOM 638 CB ILE A 578 -3.456 -6.343 1.411 1.00 0.00 C ATOM 639 CG1 ILE A 578 -3.020 -5.648 0.112 1.00 0.00 C ATOM 640 CG2 ILE A 578 -3.704 -7.822 1.171 1.00 0.00 C ATOM 641 CD1 ILE A 578 -1.632 -6.016 -0.330 1.00 0.00 C ATOM 0 H ILE A 578 -3.365 -4.383 2.970 1.00 0.00 H new ATOM 0 HA ILE A 578 -5.307 -5.311 1.124 1.00 0.00 H new ATOM 0 HB ILE A 578 -2.656 -6.263 2.147 1.00 0.00 H new ATOM 0 HG12 ILE A 578 -3.724 -5.902 -0.680 1.00 0.00 H new ATOM 0 HG13 ILE A 578 -3.074 -4.568 0.252 1.00 0.00 H new ATOM 0 HG21 ILE A 578 -2.800 -8.283 0.773 1.00 0.00 H new ATOM 0 HG22 ILE A 578 -3.973 -8.303 2.111 1.00 0.00 H new ATOM 0 HG23 ILE A 578 -4.517 -7.943 0.456 1.00 0.00 H new ATOM 0 HD11 ILE A 578 -1.392 -5.488 -1.253 1.00 0.00 H new ATOM 0 HD12 ILE A 578 -0.917 -5.736 0.444 1.00 0.00 H new ATOM 0 HD13 ILE A 578 -1.578 -7.091 -0.502 1.00 0.00 H new ATOM 653 N SER A 579 -5.290 -6.781 4.074 1.00 0.00 N ATOM 654 CA SER A 579 -6.142 -7.586 4.949 1.00 0.00 C ATOM 655 C SER A 579 -7.456 -6.852 5.240 1.00 0.00 C ATOM 656 O SER A 579 -8.485 -7.470 5.506 1.00 0.00 O ATOM 657 CB SER A 579 -5.409 -7.935 6.250 1.00 0.00 C ATOM 658 OG SER A 579 -4.856 -6.784 6.871 1.00 0.00 O ATOM 0 H SER A 579 -4.471 -6.378 4.529 1.00 0.00 H new ATOM 0 HA SER A 579 -6.379 -8.519 4.437 1.00 0.00 H new ATOM 0 HB2 SER A 579 -6.101 -8.421 6.937 1.00 0.00 H new ATOM 0 HB3 SER A 579 -4.614 -8.651 6.038 1.00 0.00 H new ATOM 0 HG SER A 579 -5.177 -5.979 6.413 1.00 0.00 H new ATOM 664 N TRP A 580 -7.402 -5.529 5.168 1.00 0.00 N ATOM 665 CA TRP A 580 -8.575 -4.678 5.314 1.00 0.00 C ATOM 666 C TRP A 580 -9.483 -4.884 4.111 1.00 0.00 C ATOM 667 O TRP A 580 -10.699 -4.984 4.233 1.00 0.00 O ATOM 668 CB TRP A 580 -8.100 -3.219 5.418 1.00 0.00 C ATOM 669 CG TRP A 580 -9.170 -2.165 5.352 1.00 0.00 C ATOM 670 CD1 TRP A 580 -9.865 -1.636 6.401 1.00 0.00 C ATOM 671 CD2 TRP A 580 -9.635 -1.482 4.177 1.00 0.00 C ATOM 672 NE1 TRP A 580 -10.731 -0.668 5.952 1.00 0.00 N ATOM 673 CE2 TRP A 580 -10.613 -0.557 4.592 1.00 0.00 C ATOM 674 CE3 TRP A 580 -9.325 -1.563 2.815 1.00 0.00 C ATOM 675 CZ2 TRP A 580 -11.276 0.281 3.697 1.00 0.00 C ATOM 676 CZ3 TRP A 580 -9.989 -0.736 1.926 1.00 0.00 C ATOM 677 CH2 TRP A 580 -10.953 0.177 2.369 1.00 0.00 C ATOM 0 H TRP A 580 -6.537 -5.013 5.006 1.00 0.00 H new ATOM 0 HA TRP A 580 -9.139 -4.928 6.212 1.00 0.00 H new ATOM 0 HB2 TRP A 580 -7.561 -3.101 6.358 1.00 0.00 H new ATOM 0 HB3 TRP A 580 -7.386 -3.033 4.615 1.00 0.00 H new ATOM 0 HD1 TRP A 580 -9.751 -1.934 7.433 1.00 0.00 H new ATOM 0 HE1 TRP A 580 -11.361 -0.120 6.538 1.00 0.00 H new ATOM 0 HE3 TRP A 580 -8.579 -2.260 2.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 580 -12.018 0.988 4.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 580 -9.759 -0.796 0.872 1.00 0.00 H new ATOM 0 HH2 TRP A 580 -11.452 0.811 1.651 1.00 0.00 H new ATOM 688 N LEU A 581 -8.854 -4.984 2.951 1.00 0.00 N ATOM 689 CA LEU A 581 -9.545 -5.198 1.690 1.00 0.00 C ATOM 690 C LEU A 581 -10.327 -6.496 1.684 1.00 0.00 C ATOM 691 O LEU A 581 -11.498 -6.522 1.304 1.00 0.00 O ATOM 692 CB LEU A 581 -8.539 -5.222 0.559 1.00 0.00 C ATOM 693 CG LEU A 581 -8.031 -3.863 0.122 1.00 0.00 C ATOM 694 CD1 LEU A 581 -6.671 -4.015 -0.516 1.00 0.00 C ATOM 695 CD2 LEU A 581 -9.022 -3.239 -0.837 1.00 0.00 C ATOM 0 H LEU A 581 -7.840 -4.918 2.858 1.00 0.00 H new ATOM 0 HA LEU A 581 -10.251 -4.378 1.558 1.00 0.00 H new ATOM 0 HB2 LEU A 581 -7.687 -5.830 0.864 1.00 0.00 H new ATOM 0 HB3 LEU A 581 -8.993 -5.716 -0.300 1.00 0.00 H new ATOM 0 HG LEU A 581 -7.931 -3.205 0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 581 -6.305 -3.038 -0.830 1.00 0.00 H new ATOM 0 HD12 LEU A 581 -5.977 -4.447 0.205 1.00 0.00 H new ATOM 0 HD13 LEU A 581 -6.747 -4.670 -1.384 1.00 0.00 H new ATOM 0 HD21 LEU A 581 -8.657 -2.261 -1.152 1.00 0.00 H new ATOM 0 HD22 LEU A 581 -9.138 -3.882 -1.710 1.00 0.00 H new ATOM 0 HD23 LEU A 581 -9.986 -3.124 -0.341 1.00 0.00 H new ATOM 707 N ASP A 582 -9.666 -7.565 2.084 1.00 0.00 N ATOM 708 CA ASP A 582 -10.299 -8.881 2.161 1.00 0.00 C ATOM 709 C ASP A 582 -11.466 -8.856 3.146 1.00 0.00 C ATOM 710 O ASP A 582 -12.385 -9.670 3.074 1.00 0.00 O ATOM 711 CB ASP A 582 -9.258 -9.921 2.586 1.00 0.00 C ATOM 712 CG ASP A 582 -9.795 -11.338 2.578 1.00 0.00 C ATOM 713 OD1 ASP A 582 -10.322 -11.777 1.535 1.00 0.00 O ATOM 714 OD2 ASP A 582 -9.679 -12.029 3.614 1.00 0.00 O ATOM 0 H ASP A 582 -8.685 -7.554 2.364 1.00 0.00 H new ATOM 0 HA ASP A 582 -10.692 -9.149 1.180 1.00 0.00 H new ATOM 0 HB2 ASP A 582 -8.399 -9.861 1.918 1.00 0.00 H new ATOM 0 HB3 ASP A 582 -8.900 -9.680 3.587 1.00 0.00 H new ATOM 719 N ALA A 583 -11.429 -7.883 4.041 1.00 0.00 N ATOM 720 CA ALA A 583 -12.433 -7.738 5.076 1.00 0.00 C ATOM 721 C ALA A 583 -13.541 -6.768 4.664 1.00 0.00 C ATOM 722 O ALA A 583 -14.511 -6.577 5.395 1.00 0.00 O ATOM 723 CB ALA A 583 -11.759 -7.255 6.340 1.00 0.00 C ATOM 0 H ALA A 583 -10.699 -7.171 4.068 1.00 0.00 H new ATOM 0 HA ALA A 583 -12.903 -8.707 5.243 1.00 0.00 H new ATOM 0 HB1 ALA A 583 -12.503 -7.141 7.128 1.00 0.00 H new ATOM 0 HB2 ALA A 583 -11.008 -7.981 6.652 1.00 0.00 H new ATOM 0 HB3 ALA A 583 -11.279 -6.294 6.152 1.00 0.00 H new ATOM 729 N ASN A 584 -13.397 -6.155 3.496 1.00 0.00 N ATOM 730 CA ASN A 584 -14.360 -5.147 3.048 1.00 0.00 C ATOM 731 C ASN A 584 -14.571 -5.205 1.531 1.00 0.00 C ATOM 732 O ASN A 584 -14.526 -4.195 0.835 1.00 0.00 O ATOM 733 CB ASN A 584 -13.919 -3.739 3.508 1.00 0.00 C ATOM 734 CG ASN A 584 -12.855 -3.072 2.657 1.00 0.00 C ATOM 735 OD1 ASN A 584 -12.817 -1.865 2.572 1.00 0.00 O ATOM 736 ND2 ASN A 584 -11.992 -3.831 2.031 1.00 0.00 N ATOM 0 H ASN A 584 -12.632 -6.333 2.845 1.00 0.00 H new ATOM 0 HA ASN A 584 -15.322 -5.368 3.510 1.00 0.00 H new ATOM 0 HB2 ASN A 584 -14.797 -3.093 3.532 1.00 0.00 H new ATOM 0 HB3 ASN A 584 -13.548 -3.811 4.530 1.00 0.00 H new ATOM 0 HD21 ASN A 584 -11.265 -3.408 1.454 1.00 0.00 H new ATOM 0 HD22 ASN A 584 -12.047 -4.846 2.120 1.00 0.00 H new ATOM 743 N THR A 585 -14.853 -6.394 1.019 1.00 0.00 N ATOM 744 CA THR A 585 -15.014 -6.578 -0.419 1.00 0.00 C ATOM 745 C THR A 585 -16.198 -5.772 -0.963 1.00 0.00 C ATOM 746 O THR A 585 -16.314 -5.553 -2.170 1.00 0.00 O ATOM 747 CB THR A 585 -15.183 -8.072 -0.769 1.00 0.00 C ATOM 748 OG1 THR A 585 -16.127 -8.685 0.117 1.00 0.00 O ATOM 749 CG2 THR A 585 -13.852 -8.802 -0.673 1.00 0.00 C ATOM 0 H THR A 585 -14.975 -7.242 1.572 1.00 0.00 H new ATOM 0 HA THR A 585 -14.106 -6.207 -0.894 1.00 0.00 H new ATOM 0 HB THR A 585 -15.550 -8.140 -1.793 1.00 0.00 H new ATOM 0 HG1 THR A 585 -16.227 -9.632 -0.116 1.00 0.00 H new ATOM 0 HG21 THR A 585 -13.995 -9.853 -0.924 1.00 0.00 H new ATOM 0 HG22 THR A 585 -13.141 -8.356 -1.369 1.00 0.00 H new ATOM 0 HG23 THR A 585 -13.465 -8.721 0.343 1.00 0.00 H new ATOM 757 N LEU A 586 -17.058 -5.311 -0.058 1.00 0.00 N ATOM 758 CA LEU A 586 -18.250 -4.561 -0.431 1.00 0.00 C ATOM 759 C LEU A 586 -18.173 -3.114 0.055 1.00 0.00 C ATOM 760 O LEU A 586 -19.159 -2.380 -0.017 1.00 0.00 O ATOM 761 CB LEU A 586 -19.514 -5.217 0.132 1.00 0.00 C ATOM 762 CG LEU A 586 -19.768 -6.670 -0.284 1.00 0.00 C ATOM 763 CD1 LEU A 586 -19.416 -6.891 -1.743 1.00 0.00 C ATOM 764 CD2 LEU A 586 -18.994 -7.625 0.592 1.00 0.00 C ATOM 0 H LEU A 586 -16.948 -5.447 0.947 1.00 0.00 H new ATOM 0 HA LEU A 586 -18.300 -4.565 -1.520 1.00 0.00 H new ATOM 0 HB2 LEU A 586 -19.465 -5.176 1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 586 -20.374 -4.619 -0.171 1.00 0.00 H new ATOM 0 HG LEU A 586 -20.832 -6.868 -0.155 1.00 0.00 H new ATOM 0 HD11 LEU A 586 -19.606 -7.931 -2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 586 -20.026 -6.239 -2.367 1.00 0.00 H new ATOM 0 HD13 LEU A 586 -18.362 -6.663 -1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 586 -19.191 -8.649 0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 586 -17.928 -7.417 0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 586 -19.303 -7.499 1.630 1.00 0.00 H new ATOM 776 N ALA A 587 -17.011 -2.732 0.583 1.00 0.00 N ATOM 777 CA ALA A 587 -16.793 -1.392 1.135 1.00 0.00 C ATOM 778 C ALA A 587 -17.239 -0.293 0.182 1.00 0.00 C ATOM 779 O ALA A 587 -17.268 -0.480 -1.039 1.00 0.00 O ATOM 780 CB ALA A 587 -15.321 -1.192 1.453 1.00 0.00 C ATOM 0 H ALA A 587 -16.194 -3.340 0.641 1.00 0.00 H new ATOM 0 HA ALA A 587 -17.395 -1.323 2.041 1.00 0.00 H new ATOM 0 HB1 ALA A 587 -15.170 -0.193 1.863 1.00 0.00 H new ATOM 0 HB2 ALA A 587 -15.002 -1.936 2.183 1.00 0.00 H new ATOM 0 HB3 ALA A 587 -14.733 -1.303 0.542 1.00 0.00 H new ATOM 786 N GLU A 588 -17.595 0.849 0.751 1.00 0.00 N ATOM 787 CA GLU A 588 -17.886 2.032 -0.038 1.00 0.00 C ATOM 788 C GLU A 588 -16.664 2.376 -0.872 1.00 0.00 C ATOM 789 O GLU A 588 -15.528 2.217 -0.426 1.00 0.00 O ATOM 790 CB GLU A 588 -18.217 3.214 0.866 1.00 0.00 C ATOM 791 CG GLU A 588 -19.178 2.888 1.998 1.00 0.00 C ATOM 792 CD GLU A 588 -20.560 2.525 1.501 1.00 0.00 C ATOM 793 OE1 GLU A 588 -21.320 3.444 1.131 1.00 0.00 O ATOM 794 OE2 GLU A 588 -20.891 1.320 1.469 1.00 0.00 O ATOM 0 H GLU A 588 -17.689 0.980 1.758 1.00 0.00 H new ATOM 0 HA GLU A 588 -18.744 1.828 -0.678 1.00 0.00 H new ATOM 0 HB2 GLU A 588 -17.291 3.601 1.292 1.00 0.00 H new ATOM 0 HB3 GLU A 588 -18.646 4.011 0.259 1.00 0.00 H new ATOM 0 HG2 GLU A 588 -18.777 2.060 2.583 1.00 0.00 H new ATOM 0 HG3 GLU A 588 -19.250 3.746 2.667 1.00 0.00 H new ATOM 801 N LYS A 589 -16.909 2.870 -2.069 1.00 0.00 N ATOM 802 CA LYS A 589 -15.843 3.160 -3.021 1.00 0.00 C ATOM 803 C LYS A 589 -14.895 4.214 -2.473 1.00 0.00 C ATOM 804 O LYS A 589 -13.686 4.158 -2.700 1.00 0.00 O ATOM 805 CB LYS A 589 -16.418 3.610 -4.363 1.00 0.00 C ATOM 806 CG LYS A 589 -17.651 4.484 -4.258 1.00 0.00 C ATOM 807 CD LYS A 589 -18.165 4.867 -5.627 1.00 0.00 C ATOM 808 CE LYS A 589 -19.493 5.587 -5.527 1.00 0.00 C ATOM 809 NZ LYS A 589 -20.036 5.921 -6.868 1.00 0.00 N ATOM 0 H LYS A 589 -17.846 3.083 -2.413 1.00 0.00 H new ATOM 0 HA LYS A 589 -15.279 2.240 -3.178 1.00 0.00 H new ATOM 0 HB2 LYS A 589 -15.648 4.154 -4.909 1.00 0.00 H new ATOM 0 HB3 LYS A 589 -16.663 2.727 -4.953 1.00 0.00 H new ATOM 0 HG2 LYS A 589 -18.430 3.955 -3.709 1.00 0.00 H new ATOM 0 HG3 LYS A 589 -17.415 5.384 -3.690 1.00 0.00 H new ATOM 0 HD2 LYS A 589 -17.437 5.507 -6.127 1.00 0.00 H new ATOM 0 HD3 LYS A 589 -18.277 3.973 -6.240 1.00 0.00 H new ATOM 0 HE2 LYS A 589 -20.207 4.962 -4.990 1.00 0.00 H new ATOM 0 HE3 LYS A 589 -19.369 6.501 -4.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 589 -20.946 6.413 -6.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 589 -19.366 6.537 -7.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 589 -20.177 5.047 -7.413 1.00 0.00 H new ATOM 823 N ASP A 590 -15.455 5.166 -1.746 1.00 0.00 N ATOM 824 CA ASP A 590 -14.663 6.204 -1.098 1.00 0.00 C ATOM 825 C ASP A 590 -13.714 5.615 -0.058 1.00 0.00 C ATOM 826 O ASP A 590 -12.684 6.214 0.235 1.00 0.00 O ATOM 827 CB ASP A 590 -15.555 7.269 -0.447 1.00 0.00 C ATOM 828 CG ASP A 590 -16.210 8.195 -1.458 1.00 0.00 C ATOM 829 OD1 ASP A 590 -17.212 7.788 -2.082 1.00 0.00 O ATOM 830 OD2 ASP A 590 -15.739 9.344 -1.615 1.00 0.00 O ATOM 0 H ASP A 590 -16.460 5.244 -1.588 1.00 0.00 H new ATOM 0 HA ASP A 590 -14.070 6.681 -1.878 1.00 0.00 H new ATOM 0 HB2 ASP A 590 -16.329 6.776 0.141 1.00 0.00 H new ATOM 0 HB3 ASP A 590 -14.957 7.861 0.246 1.00 0.00 H new ATOM 835 N GLU A 591 -14.034 4.443 0.496 1.00 0.00 N ATOM 836 CA GLU A 591 -13.137 3.815 1.463 1.00 0.00 C ATOM 837 C GLU A 591 -11.832 3.427 0.800 1.00 0.00 C ATOM 838 O GLU A 591 -10.751 3.671 1.338 1.00 0.00 O ATOM 839 CB GLU A 591 -13.752 2.583 2.142 1.00 0.00 C ATOM 840 CG GLU A 591 -14.089 2.832 3.599 1.00 0.00 C ATOM 841 CD GLU A 591 -13.044 3.702 4.285 1.00 0.00 C ATOM 842 OE1 GLU A 591 -13.148 4.950 4.196 1.00 0.00 O ATOM 843 OE2 GLU A 591 -12.109 3.149 4.903 1.00 0.00 O ATOM 0 H GLU A 591 -14.888 3.921 0.297 1.00 0.00 H new ATOM 0 HA GLU A 591 -12.956 4.558 2.240 1.00 0.00 H new ATOM 0 HB2 GLU A 591 -14.656 2.291 1.608 1.00 0.00 H new ATOM 0 HB3 GLU A 591 -13.056 1.747 2.071 1.00 0.00 H new ATOM 0 HG2 GLU A 591 -15.064 3.314 3.668 1.00 0.00 H new ATOM 0 HG3 GLU A 591 -14.167 1.878 4.121 1.00 0.00 H new ATOM 850 N PHE A 592 -11.941 2.842 -0.380 1.00 0.00 N ATOM 851 CA PHE A 592 -10.772 2.472 -1.154 1.00 0.00 C ATOM 852 C PHE A 592 -10.037 3.726 -1.596 1.00 0.00 C ATOM 853 O PHE A 592 -8.818 3.733 -1.721 1.00 0.00 O ATOM 854 CB PHE A 592 -11.172 1.652 -2.376 1.00 0.00 C ATOM 855 CG PHE A 592 -12.017 0.454 -2.059 1.00 0.00 C ATOM 856 CD1 PHE A 592 -11.432 -0.717 -1.632 1.00 0.00 C ATOM 857 CD2 PHE A 592 -13.393 0.503 -2.191 1.00 0.00 C ATOM 858 CE1 PHE A 592 -12.201 -1.829 -1.339 1.00 0.00 C ATOM 859 CE2 PHE A 592 -14.169 -0.601 -1.902 1.00 0.00 C ATOM 860 CZ PHE A 592 -13.573 -1.770 -1.475 1.00 0.00 C ATOM 0 H PHE A 592 -12.831 2.613 -0.823 1.00 0.00 H new ATOM 0 HA PHE A 592 -10.118 1.864 -0.529 1.00 0.00 H new ATOM 0 HB2 PHE A 592 -11.716 2.294 -3.069 1.00 0.00 H new ATOM 0 HB3 PHE A 592 -10.269 1.321 -2.890 1.00 0.00 H new ATOM 0 HD1 PHE A 592 -10.359 -0.768 -1.524 1.00 0.00 H new ATOM 0 HD2 PHE A 592 -13.865 1.415 -2.524 1.00 0.00 H new ATOM 0 HE1 PHE A 592 -11.729 -2.741 -1.005 1.00 0.00 H new ATOM 0 HE2 PHE A 592 -15.242 -0.550 -2.010 1.00 0.00 H new ATOM 0 HZ PHE A 592 -14.178 -2.635 -1.248 1.00 0.00 H new ATOM 870 N GLU A 593 -10.795 4.787 -1.835 1.00 0.00 N ATOM 871 CA GLU A 593 -10.219 6.075 -2.185 1.00 0.00 C ATOM 872 C GLU A 593 -9.425 6.654 -1.013 1.00 0.00 C ATOM 873 O GLU A 593 -8.270 7.042 -1.176 1.00 0.00 O ATOM 874 CB GLU A 593 -11.325 7.044 -2.615 1.00 0.00 C ATOM 875 CG GLU A 593 -11.832 6.799 -4.025 1.00 0.00 C ATOM 876 CD GLU A 593 -10.760 7.065 -5.061 1.00 0.00 C ATOM 877 OE1 GLU A 593 -10.365 8.238 -5.224 1.00 0.00 O ATOM 878 OE2 GLU A 593 -10.294 6.107 -5.706 1.00 0.00 O ATOM 0 H GLU A 593 -11.814 4.779 -1.792 1.00 0.00 H new ATOM 0 HA GLU A 593 -9.532 5.931 -3.019 1.00 0.00 H new ATOM 0 HB2 GLU A 593 -12.159 6.962 -1.918 1.00 0.00 H new ATOM 0 HB3 GLU A 593 -10.950 8.065 -2.545 1.00 0.00 H new ATOM 0 HG2 GLU A 593 -12.176 5.769 -4.114 1.00 0.00 H new ATOM 0 HG3 GLU A 593 -12.692 7.440 -4.219 1.00 0.00 H new ATOM 885 N HIS A 594 -10.026 6.666 0.177 1.00 0.00 N ATOM 886 CA HIS A 594 -9.350 7.192 1.363 1.00 0.00 C ATOM 887 C HIS A 594 -8.135 6.350 1.676 1.00 0.00 C ATOM 888 O HIS A 594 -7.047 6.868 1.910 1.00 0.00 O ATOM 889 CB HIS A 594 -10.252 7.177 2.604 1.00 0.00 C ATOM 890 CG HIS A 594 -11.560 7.889 2.469 1.00 0.00 C ATOM 891 ND1 HIS A 594 -12.736 7.381 2.981 1.00 0.00 N ATOM 892 CD2 HIS A 594 -11.877 9.077 1.906 1.00 0.00 C ATOM 893 CE1 HIS A 594 -13.717 8.226 2.737 1.00 0.00 C ATOM 894 NE2 HIS A 594 -13.226 9.263 2.085 1.00 0.00 N ATOM 0 H HIS A 594 -10.971 6.321 0.345 1.00 0.00 H new ATOM 0 HA HIS A 594 -9.077 8.222 1.135 1.00 0.00 H new ATOM 0 HB2 HIS A 594 -10.451 6.139 2.872 1.00 0.00 H new ATOM 0 HB3 HIS A 594 -9.703 7.621 3.434 1.00 0.00 H new ATOM 0 HD1 HIS A 594 -12.831 6.492 3.471 1.00 0.00 H new ATOM 0 HD2 HIS A 594 -11.197 9.753 1.409 1.00 0.00 H new ATOM 0 HE1 HIS A 594 -14.750 8.092 3.023 1.00 0.00 H new ATOM 903 N LYS A 595 -8.337 5.041 1.672 1.00 0.00 N ATOM 904 CA LYS A 595 -7.290 4.100 2.002 1.00 0.00 C ATOM 905 C LYS A 595 -6.137 4.230 1.017 1.00 0.00 C ATOM 906 O LYS A 595 -4.979 4.035 1.376 1.00 0.00 O ATOM 907 CB LYS A 595 -7.832 2.680 1.972 1.00 0.00 C ATOM 908 CG LYS A 595 -6.988 1.708 2.773 1.00 0.00 C ATOM 909 CD LYS A 595 -6.971 2.062 4.257 1.00 0.00 C ATOM 910 CE LYS A 595 -8.336 1.896 4.925 1.00 0.00 C ATOM 911 NZ LYS A 595 -9.264 3.037 4.666 1.00 0.00 N ATOM 0 H LYS A 595 -9.230 4.607 1.440 1.00 0.00 H new ATOM 0 HA LYS A 595 -6.928 4.322 3.006 1.00 0.00 H new ATOM 0 HB2 LYS A 595 -8.850 2.677 2.363 1.00 0.00 H new ATOM 0 HB3 LYS A 595 -7.886 2.339 0.938 1.00 0.00 H new ATOM 0 HG2 LYS A 595 -7.377 0.698 2.645 1.00 0.00 H new ATOM 0 HG3 LYS A 595 -5.968 1.709 2.387 1.00 0.00 H new ATOM 0 HD2 LYS A 595 -6.243 1.431 4.767 1.00 0.00 H new ATOM 0 HD3 LYS A 595 -6.637 3.093 4.375 1.00 0.00 H new ATOM 0 HE2 LYS A 595 -8.797 0.974 4.570 1.00 0.00 H new ATOM 0 HE3 LYS A 595 -8.196 1.788 6.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 595 -9.805 3.248 5.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 595 -8.715 3.875 4.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 595 -9.920 2.784 3.900 1.00 0.00 H new ATOM 925 N ARG A 596 -6.475 4.532 -0.231 1.00 0.00 N ATOM 926 CA ARG A 596 -5.475 4.745 -1.268 1.00 0.00 C ATOM 927 C ARG A 596 -4.606 5.937 -0.904 1.00 0.00 C ATOM 928 O ARG A 596 -3.391 5.904 -1.081 1.00 0.00 O ATOM 929 CB ARG A 596 -6.154 4.971 -2.622 1.00 0.00 C ATOM 930 CG ARG A 596 -5.311 4.535 -3.808 1.00 0.00 C ATOM 931 CD ARG A 596 -6.099 4.575 -5.108 1.00 0.00 C ATOM 932 NE ARG A 596 -7.414 3.952 -4.979 1.00 0.00 N ATOM 933 CZ ARG A 596 -8.255 3.799 -6.000 1.00 0.00 C ATOM 934 NH1 ARG A 596 -7.896 4.164 -7.224 1.00 0.00 N ATOM 935 NH2 ARG A 596 -9.452 3.267 -5.804 1.00 0.00 N ATOM 0 H ARG A 596 -7.439 4.635 -0.549 1.00 0.00 H new ATOM 0 HA ARG A 596 -4.845 3.858 -1.344 1.00 0.00 H new ATOM 0 HB2 ARG A 596 -7.099 4.428 -2.640 1.00 0.00 H new ATOM 0 HB3 ARG A 596 -6.393 6.029 -2.727 1.00 0.00 H new ATOM 0 HG2 ARG A 596 -4.439 5.184 -3.892 1.00 0.00 H new ATOM 0 HG3 ARG A 596 -4.941 3.524 -3.638 1.00 0.00 H new ATOM 0 HD2 ARG A 596 -6.220 5.611 -5.425 1.00 0.00 H new ATOM 0 HD3 ARG A 596 -5.534 4.066 -5.889 1.00 0.00 H new ATOM 0 HE ARG A 596 -7.703 3.617 -4.060 1.00 0.00 H new ATOM 0 HH11 ARG A 596 -6.972 4.564 -7.386 1.00 0.00 H new ATOM 0 HH12 ARG A 596 -8.544 4.045 -8.003 1.00 0.00 H new ATOM 0 HH21 ARG A 596 -9.732 2.973 -4.868 1.00 0.00 H new ATOM 0 HH22 ARG A 596 -10.093 3.151 -6.589 1.00 0.00 H new ATOM 949 N LYS A 597 -5.238 6.973 -0.365 1.00 0.00 N ATOM 950 CA LYS A 597 -4.519 8.159 0.087 1.00 0.00 C ATOM 951 C LYS A 597 -3.633 7.803 1.278 1.00 0.00 C ATOM 952 O LYS A 597 -2.492 8.246 1.373 1.00 0.00 O ATOM 953 CB LYS A 597 -5.497 9.276 0.474 1.00 0.00 C ATOM 954 CG LYS A 597 -6.632 9.481 -0.521 1.00 0.00 C ATOM 955 CD LYS A 597 -6.109 9.576 -1.939 1.00 0.00 C ATOM 956 CE LYS A 597 -7.207 9.403 -2.969 1.00 0.00 C ATOM 957 NZ LYS A 597 -8.242 10.462 -2.885 1.00 0.00 N ATOM 0 H LYS A 597 -6.248 7.016 -0.230 1.00 0.00 H new ATOM 0 HA LYS A 597 -3.896 8.519 -0.732 1.00 0.00 H new ATOM 0 HB2 LYS A 597 -5.922 9.050 1.452 1.00 0.00 H new ATOM 0 HB3 LYS A 597 -4.944 10.210 0.575 1.00 0.00 H new ATOM 0 HG2 LYS A 597 -7.338 8.654 -0.446 1.00 0.00 H new ATOM 0 HG3 LYS A 597 -7.178 10.390 -0.271 1.00 0.00 H new ATOM 0 HD2 LYS A 597 -5.628 10.544 -2.083 1.00 0.00 H new ATOM 0 HD3 LYS A 597 -5.345 8.814 -2.094 1.00 0.00 H new ATOM 0 HE2 LYS A 597 -6.768 9.408 -3.967 1.00 0.00 H new ATOM 0 HE3 LYS A 597 -7.677 8.429 -2.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 597 -8.968 10.296 -3.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 597 -8.683 10.443 -1.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 597 -7.802 11.391 -3.042 1.00 0.00 H new ATOM 971 N GLU A 598 -4.174 6.980 2.170 1.00 0.00 N ATOM 972 CA GLU A 598 -3.445 6.497 3.340 1.00 0.00 C ATOM 973 C GLU A 598 -2.206 5.715 2.922 1.00 0.00 C ATOM 974 O GLU A 598 -1.079 6.006 3.338 1.00 0.00 O ATOM 975 CB GLU A 598 -4.343 5.572 4.155 1.00 0.00 C ATOM 976 CG GLU A 598 -5.617 6.222 4.663 1.00 0.00 C ATOM 977 CD GLU A 598 -6.504 5.246 5.405 1.00 0.00 C ATOM 978 OE1 GLU A 598 -5.990 4.535 6.293 1.00 0.00 O ATOM 979 OE2 GLU A 598 -7.712 5.169 5.086 1.00 0.00 O ATOM 0 H GLU A 598 -5.129 6.629 2.104 1.00 0.00 H new ATOM 0 HA GLU A 598 -3.144 7.361 3.932 1.00 0.00 H new ATOM 0 HB2 GLU A 598 -4.609 4.711 3.542 1.00 0.00 H new ATOM 0 HB3 GLU A 598 -3.777 5.195 5.007 1.00 0.00 H new ATOM 0 HG2 GLU A 598 -5.361 7.051 5.323 1.00 0.00 H new ATOM 0 HG3 GLU A 598 -6.168 6.643 3.822 1.00 0.00 H new ATOM 986 N LEU A 599 -2.443 4.709 2.097 1.00 0.00 N ATOM 987 CA LEU A 599 -1.393 3.842 1.593 1.00 0.00 C ATOM 988 C LEU A 599 -0.355 4.681 0.853 1.00 0.00 C ATOM 989 O LEU A 599 0.847 4.483 1.007 1.00 0.00 O ATOM 990 CB LEU A 599 -2.019 2.789 0.665 1.00 0.00 C ATOM 991 CG LEU A 599 -1.159 1.567 0.318 1.00 0.00 C ATOM 992 CD1 LEU A 599 -0.025 1.935 -0.623 1.00 0.00 C ATOM 993 CD2 LEU A 599 -0.618 0.904 1.572 1.00 0.00 C ATOM 0 H LEU A 599 -3.374 4.470 1.757 1.00 0.00 H new ATOM 0 HA LEU A 599 -0.894 3.330 2.415 1.00 0.00 H new ATOM 0 HB2 LEU A 599 -2.940 2.435 1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 599 -2.299 3.282 -0.266 1.00 0.00 H new ATOM 0 HG LEU A 599 -1.803 0.853 -0.195 1.00 0.00 H new ATOM 0 HD11 LEU A 599 0.564 1.046 -0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 599 -0.436 2.341 -1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 599 0.612 2.682 -0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 599 -0.012 0.041 1.295 1.00 0.00 H new ATOM 0 HD22 LEU A 599 -0.004 1.616 2.124 1.00 0.00 H new ATOM 0 HD23 LEU A 599 -1.448 0.578 2.199 1.00 0.00 H new ATOM 1005 N GLU A 600 -0.837 5.638 0.075 1.00 0.00 N ATOM 1006 CA GLU A 600 0.032 6.537 -0.665 1.00 0.00 C ATOM 1007 C GLU A 600 0.969 7.293 0.275 1.00 0.00 C ATOM 1008 O GLU A 600 2.149 7.450 -0.019 1.00 0.00 O ATOM 1009 CB GLU A 600 -0.804 7.518 -1.488 1.00 0.00 C ATOM 1010 CG GLU A 600 0.010 8.365 -2.448 1.00 0.00 C ATOM 1011 CD GLU A 600 -0.856 9.083 -3.459 1.00 0.00 C ATOM 1012 OE1 GLU A 600 -1.443 8.407 -4.331 1.00 0.00 O ATOM 1013 OE2 GLU A 600 -0.938 10.327 -3.402 1.00 0.00 O ATOM 0 H GLU A 600 -1.833 5.812 -0.060 1.00 0.00 H new ATOM 0 HA GLU A 600 0.644 5.940 -1.341 1.00 0.00 H new ATOM 0 HB2 GLU A 600 -1.549 6.959 -2.054 1.00 0.00 H new ATOM 0 HB3 GLU A 600 -1.347 8.176 -0.809 1.00 0.00 H new ATOM 0 HG2 GLU A 600 0.587 9.097 -1.883 1.00 0.00 H new ATOM 0 HG3 GLU A 600 0.725 7.731 -2.972 1.00 0.00 H new ATOM 1020 N GLN A 601 0.450 7.738 1.412 1.00 0.00 N ATOM 1021 CA GLN A 601 1.253 8.482 2.374 1.00 0.00 C ATOM 1022 C GLN A 601 2.304 7.602 3.051 1.00 0.00 C ATOM 1023 O GLN A 601 3.344 8.102 3.475 1.00 0.00 O ATOM 1024 CB GLN A 601 0.366 9.148 3.423 1.00 0.00 C ATOM 1025 CG GLN A 601 -0.613 10.141 2.825 1.00 0.00 C ATOM 1026 CD GLN A 601 -1.357 10.938 3.872 1.00 0.00 C ATOM 1027 OE1 GLN A 601 -1.601 10.463 4.984 1.00 0.00 O ATOM 1028 NE2 GLN A 601 -1.719 12.162 3.528 1.00 0.00 N ATOM 0 H GLN A 601 -0.521 7.597 1.690 1.00 0.00 H new ATOM 0 HA GLN A 601 1.781 9.255 1.815 1.00 0.00 H new ATOM 0 HB2 GLN A 601 -0.188 8.380 3.963 1.00 0.00 H new ATOM 0 HB3 GLN A 601 0.995 9.660 4.151 1.00 0.00 H new ATOM 0 HG2 GLN A 601 -0.074 10.825 2.170 1.00 0.00 H new ATOM 0 HG3 GLN A 601 -1.332 9.606 2.204 1.00 0.00 H new ATOM 0 HE21 GLN A 601 -1.498 12.517 2.598 1.00 0.00 H new ATOM 0 HE22 GLN A 601 -2.220 12.752 4.193 1.00 0.00 H new ATOM 1037 N VAL A 602 2.049 6.300 3.165 1.00 0.00 N ATOM 1038 CA VAL A 602 3.047 5.403 3.754 1.00 0.00 C ATOM 1039 C VAL A 602 4.184 5.147 2.762 1.00 0.00 C ATOM 1040 O VAL A 602 5.354 5.094 3.138 1.00 0.00 O ATOM 1041 CB VAL A 602 2.445 4.050 4.223 1.00 0.00 C ATOM 1042 CG1 VAL A 602 2.377 3.036 3.097 1.00 0.00 C ATOM 1043 CG2 VAL A 602 3.250 3.482 5.380 1.00 0.00 C ATOM 0 H VAL A 602 1.184 5.849 2.867 1.00 0.00 H new ATOM 0 HA VAL A 602 3.433 5.908 4.640 1.00 0.00 H new ATOM 0 HB VAL A 602 1.426 4.250 4.554 1.00 0.00 H new ATOM 0 HG11 VAL A 602 1.950 2.105 3.471 1.00 0.00 H new ATOM 0 HG12 VAL A 602 1.752 3.426 2.294 1.00 0.00 H new ATOM 0 HG13 VAL A 602 3.381 2.847 2.716 1.00 0.00 H new ATOM 0 HG21 VAL A 602 2.814 2.534 5.696 1.00 0.00 H new ATOM 0 HG22 VAL A 602 4.280 3.320 5.062 1.00 0.00 H new ATOM 0 HG23 VAL A 602 3.234 4.184 6.214 1.00 0.00 H new ATOM 1053 N CYS A 603 3.831 5.004 1.491 1.00 0.00 N ATOM 1054 CA CYS A 603 4.805 4.725 0.446 1.00 0.00 C ATOM 1055 C CYS A 603 5.488 6.005 -0.032 1.00 0.00 C ATOM 1056 O CYS A 603 6.603 5.964 -0.528 1.00 0.00 O ATOM 1057 CB CYS A 603 4.135 4.006 -0.727 1.00 0.00 C ATOM 1058 SG CYS A 603 2.748 4.902 -1.459 1.00 0.00 S ATOM 0 H CYS A 603 2.870 5.078 1.158 1.00 0.00 H new ATOM 0 HA CYS A 603 5.572 4.074 0.866 1.00 0.00 H new ATOM 0 HB2 CYS A 603 4.882 3.823 -1.500 1.00 0.00 H new ATOM 0 HB3 CYS A 603 3.783 3.032 -0.387 1.00 0.00 H new ATOM 0 HG CYS A 603 2.782 6.144 -1.075 1.00 0.00 H new ATOM 1064 N ASN A 604 4.805 7.134 0.113 1.00 0.00 N ATOM 1065 CA ASN A 604 5.289 8.419 -0.403 1.00 0.00 C ATOM 1066 C ASN A 604 6.740 8.716 0.015 1.00 0.00 C ATOM 1067 O ASN A 604 7.576 8.958 -0.855 1.00 0.00 O ATOM 1068 CB ASN A 604 4.366 9.557 0.049 1.00 0.00 C ATOM 1069 CG ASN A 604 4.775 10.907 -0.501 1.00 0.00 C ATOM 1070 OD1 ASN A 604 5.207 11.024 -1.650 1.00 0.00 O ATOM 1071 ND2 ASN A 604 4.656 11.937 0.320 1.00 0.00 N ATOM 0 H ASN A 604 3.904 7.190 0.588 1.00 0.00 H new ATOM 0 HA ASN A 604 5.276 8.349 -1.491 1.00 0.00 H new ATOM 0 HB2 ASN A 604 3.346 9.337 -0.266 1.00 0.00 H new ATOM 0 HB3 ASN A 604 4.360 9.602 1.138 1.00 0.00 H new ATOM 0 HD21 ASN A 604 4.926 12.870 0.010 1.00 0.00 H new ATOM 0 HD22 ASN A 604 4.294 11.798 1.263 1.00 0.00 H new ATOM 1078 N PRO A 605 7.087 8.690 1.329 1.00 0.00 N ATOM 1079 CA PRO A 605 8.457 8.996 1.783 1.00 0.00 C ATOM 1080 C PRO A 605 9.487 8.025 1.215 1.00 0.00 C ATOM 1081 O PRO A 605 10.681 8.323 1.139 1.00 0.00 O ATOM 1082 CB PRO A 605 8.373 8.857 3.305 1.00 0.00 C ATOM 1083 CG PRO A 605 6.933 9.048 3.603 1.00 0.00 C ATOM 1084 CD PRO A 605 6.216 8.372 2.479 1.00 0.00 C ATOM 0 HA PRO A 605 8.782 9.982 1.452 1.00 0.00 H new ATOM 0 HB2 PRO A 605 8.723 7.879 3.637 1.00 0.00 H new ATOM 0 HB3 PRO A 605 8.987 9.603 3.809 1.00 0.00 H new ATOM 0 HG2 PRO A 605 6.666 8.608 4.564 1.00 0.00 H new ATOM 0 HG3 PRO A 605 6.677 10.106 3.656 1.00 0.00 H new ATOM 0 HD2 PRO A 605 6.126 7.298 2.639 1.00 0.00 H new ATOM 0 HD3 PRO A 605 5.206 8.760 2.346 1.00 0.00 H new ATOM 1092 N ILE A 606 9.005 6.864 0.816 1.00 0.00 N ATOM 1093 CA ILE A 606 9.844 5.816 0.281 1.00 0.00 C ATOM 1094 C ILE A 606 9.968 5.965 -1.240 1.00 0.00 C ATOM 1095 O ILE A 606 11.048 5.790 -1.808 1.00 0.00 O ATOM 1096 CB ILE A 606 9.282 4.426 0.668 1.00 0.00 C ATOM 1097 CG1 ILE A 606 8.626 3.740 -0.528 1.00 0.00 C ATOM 1098 CG2 ILE A 606 8.293 4.548 1.824 1.00 0.00 C ATOM 1099 CD1 ILE A 606 7.684 2.629 -0.152 1.00 0.00 C ATOM 0 H ILE A 606 8.015 6.623 0.855 1.00 0.00 H new ATOM 0 HA ILE A 606 10.842 5.903 0.711 1.00 0.00 H new ATOM 0 HB ILE A 606 10.119 3.807 0.991 1.00 0.00 H new ATOM 0 HG12 ILE A 606 8.081 4.485 -1.108 1.00 0.00 H new ATOM 0 HG13 ILE A 606 9.405 3.339 -1.177 1.00 0.00 H new ATOM 0 HG21 ILE A 606 7.910 3.560 2.081 1.00 0.00 H new ATOM 0 HG22 ILE A 606 8.797 4.978 2.690 1.00 0.00 H new ATOM 0 HG23 ILE A 606 7.465 5.193 1.528 1.00 0.00 H new ATOM 0 HD11 ILE A 606 7.258 2.192 -1.055 1.00 0.00 H new ATOM 0 HD12 ILE A 606 8.227 1.863 0.401 1.00 0.00 H new ATOM 0 HD13 ILE A 606 6.883 3.027 0.471 1.00 0.00 H new ATOM 1111 N ILE A 607 8.853 6.322 -1.876 1.00 0.00 N ATOM 1112 CA ILE A 607 8.775 6.476 -3.322 1.00 0.00 C ATOM 1113 C ILE A 607 9.666 7.619 -3.807 1.00 0.00 C ATOM 1114 O ILE A 607 10.127 7.609 -4.947 1.00 0.00 O ATOM 1115 CB ILE A 607 7.294 6.686 -3.763 1.00 0.00 C ATOM 1116 CG1 ILE A 607 6.720 5.388 -4.342 1.00 0.00 C ATOM 1117 CG2 ILE A 607 7.141 7.824 -4.758 1.00 0.00 C ATOM 1118 CD1 ILE A 607 6.655 4.245 -3.354 1.00 0.00 C ATOM 0 H ILE A 607 7.974 6.513 -1.396 1.00 0.00 H new ATOM 0 HA ILE A 607 9.144 5.561 -3.785 1.00 0.00 H new ATOM 0 HB ILE A 607 6.730 6.962 -2.872 1.00 0.00 H new ATOM 0 HG12 ILE A 607 5.717 5.584 -4.720 1.00 0.00 H new ATOM 0 HG13 ILE A 607 7.328 5.083 -5.194 1.00 0.00 H new ATOM 0 HG21 ILE A 607 6.091 7.928 -5.033 1.00 0.00 H new ATOM 0 HG22 ILE A 607 7.492 8.752 -4.306 1.00 0.00 H new ATOM 0 HG23 ILE A 607 7.730 7.609 -5.650 1.00 0.00 H new ATOM 0 HD11 ILE A 607 6.237 3.365 -3.843 1.00 0.00 H new ATOM 0 HD12 ILE A 607 7.658 4.018 -2.994 1.00 0.00 H new ATOM 0 HD13 ILE A 607 6.022 4.527 -2.512 1.00 0.00 H new ATOM 1130 N SER A 608 9.943 8.570 -2.922 1.00 0.00 N ATOM 1131 CA SER A 608 10.774 9.713 -3.247 1.00 0.00 C ATOM 1132 C SER A 608 12.146 9.286 -3.779 1.00 0.00 C ATOM 1133 O SER A 608 12.754 9.996 -4.581 1.00 0.00 O ATOM 1134 CB SER A 608 10.933 10.566 -1.995 1.00 0.00 C ATOM 1135 OG SER A 608 9.666 10.873 -1.438 1.00 0.00 O ATOM 0 H SER A 608 9.597 8.566 -1.963 1.00 0.00 H new ATOM 0 HA SER A 608 10.291 10.287 -4.038 1.00 0.00 H new ATOM 0 HB2 SER A 608 11.540 10.036 -1.261 1.00 0.00 H new ATOM 0 HB3 SER A 608 11.462 11.487 -2.240 1.00 0.00 H new ATOM 0 HG SER A 608 9.786 11.420 -0.634 1.00 0.00 H new ATOM 1141 N GLY A 609 12.615 8.119 -3.352 1.00 0.00 N ATOM 1142 CA GLY A 609 13.909 7.638 -3.797 1.00 0.00 C ATOM 1143 C GLY A 609 13.817 6.334 -4.566 1.00 0.00 C ATOM 1144 O GLY A 609 14.789 5.580 -4.636 1.00 0.00 O ATOM 0 H GLY A 609 12.124 7.499 -2.708 1.00 0.00 H new ATOM 0 HA2 GLY A 609 14.376 8.395 -4.428 1.00 0.00 H new ATOM 0 HA3 GLY A 609 14.558 7.500 -2.932 1.00 0.00 H new ATOM 1148 N LEU A 610 12.653 6.063 -5.134 1.00 0.00 N ATOM 1149 CA LEU A 610 12.446 4.847 -5.903 1.00 0.00 C ATOM 1150 C LEU A 610 12.334 5.168 -7.385 1.00 0.00 C ATOM 1151 O LEU A 610 13.257 4.808 -8.144 1.00 0.00 O ATOM 1152 CB LEU A 610 11.194 4.107 -5.424 1.00 0.00 C ATOM 1153 CG LEU A 610 11.300 3.473 -4.033 1.00 0.00 C ATOM 1154 CD1 LEU A 610 10.034 2.694 -3.703 1.00 0.00 C ATOM 1155 CD2 LEU A 610 12.520 2.565 -3.950 1.00 0.00 C ATOM 1156 OXT LEU A 610 11.335 5.805 -7.786 1.00 0.00 O ATOM 0 H LEU A 610 11.836 6.670 -5.077 1.00 0.00 H new ATOM 0 HA LEU A 610 13.308 4.197 -5.750 1.00 0.00 H new ATOM 0 HB2 LEU A 610 10.357 4.805 -5.424 1.00 0.00 H new ATOM 0 HB3 LEU A 610 10.956 3.325 -6.145 1.00 0.00 H new ATOM 0 HG LEU A 610 11.415 4.272 -3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 610 10.128 2.251 -2.712 1.00 0.00 H new ATOM 0 HD12 LEU A 610 9.177 3.368 -3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 610 9.890 1.905 -4.441 1.00 0.00 H new ATOM 0 HD21 LEU A 610 12.578 2.124 -2.955 1.00 0.00 H new ATOM 0 HD22 LEU A 610 12.435 1.773 -4.694 1.00 0.00 H new ATOM 0 HD23 LEU A 610 13.421 3.148 -4.142 1.00 0.00 H new