USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 679 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 1 GLY N :NH3+ -120:sc= 0.0755 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.363 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.457 X(o=-0.46,f=-0.0013) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0.044) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.0585 K(o=-0.058,f=-1.1) USER MOD Single : A 61 HIS : no HE2:sc= -2.82 X(o=-2.8,f=-2.9) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.391 X(o=-0.39,f=-0.015) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.537 USER MOD Single : A 67 TYR OH : rot 180:sc= -1.65! USER MOD Single : A 70 LYS NZ :NH3+ -130:sc= 0.0225 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -117:sc= -0.201 (180deg=-1.35) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 77 LYS NZ :NH3+ -171:sc= 0.2 (180deg=0.175) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.334 -22.439 9.239 1.00 0.00 N ATOM 2 CA GLY A 1 -19.077 -22.216 8.012 1.00 0.00 C ATOM 3 C GLY A 1 -18.434 -21.167 7.128 1.00 0.00 C ATOM 4 O GLY A 1 -17.304 -20.745 7.374 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.030 -23.432 9.285 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.499 -21.820 9.256 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.941 -22.225 10.056 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.153 -23.154 7.461 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.093 -21.907 8.257 1.00 0.00 H new ATOM 8 N SER A 2 -19.154 -20.745 6.093 1.00 0.00 N ATOM 9 CA SER A 2 -18.644 -19.742 5.165 1.00 0.00 C ATOM 10 C SER A 2 -19.730 -19.306 4.186 1.00 0.00 C ATOM 11 O SER A 2 -20.576 -20.105 3.785 1.00 0.00 O ATOM 12 CB SER A 2 -17.440 -20.291 4.398 1.00 0.00 C ATOM 13 OG SER A 2 -17.817 -21.374 3.565 1.00 0.00 O ATOM 0 H SER A 2 -20.092 -21.082 5.876 1.00 0.00 H new ATOM 0 HA SER A 2 -18.331 -18.873 5.744 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.998 -19.499 3.793 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.675 -20.619 5.102 1.00 0.00 H new ATOM 0 HG SER A 2 -17.030 -21.706 3.084 1.00 0.00 H new ATOM 19 N SER A 3 -19.699 -18.033 3.806 1.00 0.00 N ATOM 20 CA SER A 3 -20.683 -17.488 2.877 1.00 0.00 C ATOM 21 C SER A 3 -20.247 -16.118 2.367 1.00 0.00 C ATOM 22 O SER A 3 -19.917 -15.227 3.149 1.00 0.00 O ATOM 23 CB SER A 3 -22.050 -17.381 3.554 1.00 0.00 C ATOM 24 OG SER A 3 -22.881 -16.451 2.881 1.00 0.00 O ATOM 0 H SER A 3 -19.003 -17.359 4.127 1.00 0.00 H new ATOM 0 HA SER A 3 -20.759 -18.166 2.027 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.530 -18.359 3.567 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.922 -17.074 4.592 1.00 0.00 H new ATOM 0 HG SER A 3 -23.750 -16.402 3.332 1.00 0.00 H new ATOM 30 N GLY A 4 -20.249 -15.957 1.047 1.00 0.00 N ATOM 31 CA GLY A 4 -19.852 -14.693 0.453 1.00 0.00 C ATOM 32 C GLY A 4 -18.373 -14.646 0.125 1.00 0.00 C ATOM 33 O GLY A 4 -17.632 -15.579 0.433 1.00 0.00 O ATOM 0 H GLY A 4 -20.518 -16.679 0.379 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.428 -14.526 -0.457 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.095 -13.881 1.138 1.00 0.00 H new ATOM 37 N SER A 5 -17.943 -13.557 -0.504 1.00 0.00 N ATOM 38 CA SER A 5 -16.543 -13.394 -0.880 1.00 0.00 C ATOM 39 C SER A 5 -16.111 -11.937 -0.749 1.00 0.00 C ATOM 40 O SER A 5 -16.915 -11.068 -0.411 1.00 0.00 O ATOM 41 CB SER A 5 -16.319 -13.878 -2.314 1.00 0.00 C ATOM 42 OG SER A 5 -15.074 -14.544 -2.439 1.00 0.00 O ATOM 0 H SER A 5 -18.543 -12.775 -0.764 1.00 0.00 H new ATOM 0 HA SER A 5 -15.938 -13.996 -0.202 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.126 -14.551 -2.604 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.351 -13.029 -2.997 1.00 0.00 H new ATOM 0 HG SER A 5 -14.955 -14.845 -3.364 1.00 0.00 H new ATOM 48 N SER A 6 -14.836 -11.677 -1.020 1.00 0.00 N ATOM 49 CA SER A 6 -14.295 -10.326 -0.929 1.00 0.00 C ATOM 50 C SER A 6 -13.909 -9.802 -2.308 1.00 0.00 C ATOM 51 O SER A 6 -13.960 -8.600 -2.565 1.00 0.00 O ATOM 52 CB SER A 6 -13.077 -10.303 -0.003 1.00 0.00 C ATOM 53 OG SER A 6 -13.429 -9.846 1.291 1.00 0.00 O ATOM 0 H SER A 6 -14.158 -12.384 -1.304 1.00 0.00 H new ATOM 0 HA SER A 6 -15.069 -9.678 -0.517 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.649 -11.303 0.065 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.308 -9.655 -0.424 1.00 0.00 H new ATOM 0 HG SER A 6 -12.634 -9.842 1.864 1.00 0.00 H new ATOM 59 N GLY A 7 -13.522 -10.715 -3.195 1.00 0.00 N ATOM 60 CA GLY A 7 -13.133 -10.326 -4.538 1.00 0.00 C ATOM 61 C GLY A 7 -11.783 -9.638 -4.574 1.00 0.00 C ATOM 62 O GLY A 7 -10.769 -10.220 -4.187 1.00 0.00 O ATOM 0 H GLY A 7 -13.471 -11.716 -3.007 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.104 -11.210 -5.175 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.889 -9.659 -4.953 1.00 0.00 H new ATOM 66 N THR A 8 -11.767 -8.393 -5.041 1.00 0.00 N ATOM 67 CA THR A 8 -10.531 -7.626 -5.129 1.00 0.00 C ATOM 68 C THR A 8 -9.557 -8.263 -6.113 1.00 0.00 C ATOM 69 O THR A 8 -9.688 -9.437 -6.459 1.00 0.00 O ATOM 70 CB THR A 8 -9.848 -7.502 -3.754 1.00 0.00 C ATOM 71 OG1 THR A 8 -10.789 -7.782 -2.712 1.00 0.00 O ATOM 72 CG2 THR A 8 -9.269 -6.108 -3.561 1.00 0.00 C ATOM 0 H THR A 8 -12.596 -7.895 -5.364 1.00 0.00 H new ATOM 0 HA THR A 8 -10.801 -6.631 -5.483 1.00 0.00 H new ATOM 0 HB THR A 8 -9.034 -8.225 -3.711 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.346 -7.702 -1.841 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.792 -6.044 -2.583 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.531 -5.910 -4.338 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.069 -5.370 -3.623 1.00 0.00 H new ATOM 80 N SER A 9 -8.579 -7.482 -6.560 1.00 0.00 N ATOM 81 CA SER A 9 -7.583 -7.970 -7.507 1.00 0.00 C ATOM 82 C SER A 9 -6.171 -7.727 -6.984 1.00 0.00 C ATOM 83 O SER A 9 -5.880 -6.675 -6.416 1.00 0.00 O ATOM 84 CB SER A 9 -7.761 -7.287 -8.864 1.00 0.00 C ATOM 85 OG SER A 9 -8.639 -6.179 -8.766 1.00 0.00 O ATOM 0 H SER A 9 -8.455 -6.509 -6.282 1.00 0.00 H new ATOM 0 HA SER A 9 -7.727 -9.044 -7.627 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.792 -6.955 -9.238 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.153 -8.003 -9.586 1.00 0.00 H new ATOM 0 HG SER A 9 -8.735 -5.759 -9.646 1.00 0.00 H new ATOM 91 N ALA A 10 -5.296 -8.708 -7.181 1.00 0.00 N ATOM 92 CA ALA A 10 -3.914 -8.601 -6.732 1.00 0.00 C ATOM 93 C ALA A 10 -2.982 -8.281 -7.896 1.00 0.00 C ATOM 94 O ALA A 10 -1.792 -8.597 -7.857 1.00 0.00 O ATOM 95 CB ALA A 10 -3.481 -9.888 -6.045 1.00 0.00 C ATOM 0 H ALA A 10 -5.520 -9.586 -7.649 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.853 -7.782 -6.016 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.447 -9.794 -5.715 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.122 -10.074 -5.183 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.564 -10.720 -6.745 1.00 0.00 H new ATOM 101 N LEU A 11 -3.529 -7.653 -8.930 1.00 0.00 N ATOM 102 CA LEU A 11 -2.746 -7.291 -10.107 1.00 0.00 C ATOM 103 C LEU A 11 -3.142 -5.910 -10.620 1.00 0.00 C ATOM 104 O LEU A 11 -4.326 -5.609 -10.770 1.00 0.00 O ATOM 105 CB LEU A 11 -2.937 -8.332 -11.211 1.00 0.00 C ATOM 106 CG LEU A 11 -2.393 -9.730 -10.916 1.00 0.00 C ATOM 107 CD1 LEU A 11 -3.531 -10.733 -10.808 1.00 0.00 C ATOM 108 CD2 LEU A 11 -1.405 -10.156 -11.992 1.00 0.00 C ATOM 0 H LEU A 11 -4.512 -7.384 -8.978 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.695 -7.264 -9.820 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.003 -8.416 -11.423 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.459 -7.962 -12.118 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.869 -9.701 -9.961 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.125 -11.723 -10.598 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.202 -10.437 -10.001 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.083 -10.759 -11.747 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.028 -11.153 -11.766 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.905 -10.168 -12.961 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.573 -9.452 -12.022 1.00 0.00 H new ATOM 120 N ALA A 12 -2.143 -5.076 -10.889 1.00 0.00 N ATOM 121 CA ALA A 12 -2.387 -3.729 -11.390 1.00 0.00 C ATOM 122 C ALA A 12 -1.793 -3.545 -12.783 1.00 0.00 C ATOM 123 O ALA A 12 -0.879 -4.260 -13.193 1.00 0.00 O ATOM 124 CB ALA A 12 -1.815 -2.697 -10.430 1.00 0.00 C ATOM 0 H ALA A 12 -1.157 -5.309 -10.768 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.465 -3.585 -11.461 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.005 -1.696 -10.817 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.290 -2.805 -9.455 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.740 -2.850 -10.330 1.00 0.00 H new ATOM 130 N PRO A 13 -2.324 -2.565 -13.528 1.00 0.00 N ATOM 131 CA PRO A 13 -1.862 -2.265 -14.887 1.00 0.00 C ATOM 132 C PRO A 13 -0.465 -1.653 -14.902 1.00 0.00 C ATOM 133 O PRO A 13 0.152 -1.465 -13.853 1.00 0.00 O ATOM 134 CB PRO A 13 -2.893 -1.255 -15.398 1.00 0.00 C ATOM 135 CG PRO A 13 -3.435 -0.612 -14.168 1.00 0.00 C ATOM 136 CD PRO A 13 -3.417 -1.674 -13.103 1.00 0.00 C ATOM 0 HA PRO A 13 -1.786 -3.164 -15.499 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -2.434 -0.520 -16.059 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -3.681 -1.747 -15.967 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.828 0.244 -13.875 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -4.447 -0.243 -14.334 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.230 -1.250 -12.116 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -4.368 -2.203 -13.047 1.00 0.00 H new ATOM 144 N VAL A 14 0.028 -1.343 -16.097 1.00 0.00 N ATOM 145 CA VAL A 14 1.351 -0.751 -16.248 1.00 0.00 C ATOM 146 C VAL A 14 1.472 0.538 -15.443 1.00 0.00 C ATOM 147 O VAL A 14 0.667 1.456 -15.597 1.00 0.00 O ATOM 148 CB VAL A 14 1.667 -0.452 -17.725 1.00 0.00 C ATOM 149 CG1 VAL A 14 3.072 0.114 -17.867 1.00 0.00 C ATOM 150 CG2 VAL A 14 1.500 -1.706 -18.570 1.00 0.00 C ATOM 0 H VAL A 14 -0.470 -1.492 -16.975 1.00 0.00 H new ATOM 0 HA VAL A 14 2.068 -1.480 -15.871 1.00 0.00 H new ATOM 0 HB VAL A 14 0.962 0.297 -18.085 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.277 0.319 -18.918 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.151 1.038 -17.295 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.795 -0.609 -17.490 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.727 -1.476 -19.611 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.180 -2.479 -18.212 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.473 -2.062 -18.493 1.00 0.00 H new ATOM 160 N ALA A 15 2.483 0.599 -14.583 1.00 0.00 N ATOM 161 CA ALA A 15 2.711 1.777 -13.754 1.00 0.00 C ATOM 162 C ALA A 15 4.177 1.889 -13.351 1.00 0.00 C ATOM 163 O ALA A 15 4.930 0.919 -13.436 1.00 0.00 O ATOM 164 CB ALA A 15 1.824 1.733 -12.519 1.00 0.00 C ATOM 0 H ALA A 15 3.157 -0.153 -14.442 1.00 0.00 H new ATOM 0 HA ALA A 15 2.454 2.659 -14.341 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.005 2.618 -11.909 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.778 1.709 -12.823 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.053 0.840 -11.938 1.00 0.00 H new ATOM 170 N ALA A 16 4.577 3.079 -12.914 1.00 0.00 N ATOM 171 CA ALA A 16 5.953 3.317 -12.497 1.00 0.00 C ATOM 172 C ALA A 16 6.007 3.888 -11.084 1.00 0.00 C ATOM 173 O ALA A 16 5.193 4.736 -10.715 1.00 0.00 O ATOM 174 CB ALA A 16 6.646 4.255 -13.474 1.00 0.00 C ATOM 0 H ALA A 16 3.967 3.893 -12.840 1.00 0.00 H new ATOM 0 HA ALA A 16 6.477 2.361 -12.495 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.673 4.424 -13.150 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.648 3.808 -14.468 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.114 5.206 -13.505 1.00 0.00 H new ATOM 180 N ILE A 17 6.969 3.419 -10.297 1.00 0.00 N ATOM 181 CA ILE A 17 7.129 3.883 -8.925 1.00 0.00 C ATOM 182 C ILE A 17 7.832 5.236 -8.881 1.00 0.00 C ATOM 183 O ILE A 17 8.852 5.438 -9.541 1.00 0.00 O ATOM 184 CB ILE A 17 7.927 2.875 -8.078 1.00 0.00 C ATOM 185 CG1 ILE A 17 7.321 1.476 -8.207 1.00 0.00 C ATOM 186 CG2 ILE A 17 7.957 3.313 -6.622 1.00 0.00 C ATOM 187 CD1 ILE A 17 5.868 1.406 -7.793 1.00 0.00 C ATOM 0 H ILE A 17 7.650 2.717 -10.587 1.00 0.00 H new ATOM 0 HA ILE A 17 6.127 3.982 -8.507 1.00 0.00 H new ATOM 0 HB ILE A 17 8.952 2.842 -8.448 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.412 1.143 -9.241 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.898 0.781 -7.597 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.525 2.590 -6.036 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.429 4.292 -6.546 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.938 3.371 -6.238 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.505 0.385 -7.911 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.772 1.707 -6.750 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.278 2.075 -8.420 1.00 0.00 H new ATOM 199 N ILE A 18 7.281 6.158 -8.099 1.00 0.00 N ATOM 200 CA ILE A 18 7.857 7.490 -7.966 1.00 0.00 C ATOM 201 C ILE A 18 8.414 7.711 -6.564 1.00 0.00 C ATOM 202 O ILE A 18 7.765 7.422 -5.559 1.00 0.00 O ATOM 203 CB ILE A 18 6.819 8.585 -8.273 1.00 0.00 C ATOM 204 CG1 ILE A 18 6.228 8.381 -9.670 1.00 0.00 C ATOM 205 CG2 ILE A 18 7.453 9.963 -8.156 1.00 0.00 C ATOM 206 CD1 ILE A 18 5.087 9.322 -9.986 1.00 0.00 C ATOM 0 H ILE A 18 6.436 6.007 -7.548 1.00 0.00 H new ATOM 0 HA ILE A 18 8.668 7.557 -8.691 1.00 0.00 H new ATOM 0 HB ILE A 18 6.012 8.515 -7.544 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.015 8.515 -10.412 1.00 0.00 H new ATOM 0 HG13 ILE A 18 5.876 7.353 -9.761 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.707 10.727 -8.376 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.830 10.105 -7.143 1.00 0.00 H new ATOM 0 HG23 ILE A 18 8.277 10.046 -8.865 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.717 9.121 -10.991 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.282 9.172 -9.267 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.438 10.352 -9.928 1.00 0.00 H new ATOM 218 N PRO A 19 9.645 8.239 -6.492 1.00 0.00 N ATOM 219 CA PRO A 19 10.315 8.514 -5.218 1.00 0.00 C ATOM 220 C PRO A 19 9.670 9.669 -4.460 1.00 0.00 C ATOM 221 O PRO A 19 9.858 10.841 -4.788 1.00 0.00 O ATOM 222 CB PRO A 19 11.740 8.881 -5.639 1.00 0.00 C ATOM 223 CG PRO A 19 11.605 9.389 -7.033 1.00 0.00 C ATOM 224 CD PRO A 19 10.476 8.609 -7.650 1.00 0.00 C ATOM 0 HA PRO A 19 10.262 7.664 -4.538 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.164 9.639 -4.981 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.401 8.015 -5.596 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.391 10.458 -7.040 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.530 9.246 -7.592 1.00 0.00 H new ATOM 0 HD2 PRO A 19 9.919 9.209 -8.369 1.00 0.00 H new ATOM 0 HD3 PRO A 19 10.839 7.729 -8.182 1.00 0.00 H new ATOM 232 N PRO A 20 8.889 9.334 -3.422 1.00 0.00 N ATOM 233 CA PRO A 20 8.200 10.330 -2.596 1.00 0.00 C ATOM 234 C PRO A 20 9.166 11.137 -1.735 1.00 0.00 C ATOM 235 O PRO A 20 10.340 10.795 -1.590 1.00 0.00 O ATOM 236 CB PRO A 20 7.278 9.483 -1.715 1.00 0.00 C ATOM 237 CG PRO A 20 7.938 8.149 -1.648 1.00 0.00 C ATOM 238 CD PRO A 20 8.619 7.957 -2.975 1.00 0.00 C ATOM 0 HA PRO A 20 7.674 11.068 -3.201 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.167 9.920 -0.723 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.279 9.409 -2.144 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.658 8.110 -0.831 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.207 7.361 -1.467 1.00 0.00 H new ATOM 0 HD2 PRO A 20 9.538 7.379 -2.875 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.982 7.423 -3.680 1.00 0.00 H new ATOM 246 N PRO A 21 8.663 12.234 -1.149 1.00 0.00 N ATOM 247 CA PRO A 21 9.465 13.111 -0.292 1.00 0.00 C ATOM 248 C PRO A 21 9.830 12.451 1.034 1.00 0.00 C ATOM 249 O PRO A 21 9.264 11.429 1.422 1.00 0.00 O ATOM 250 CB PRO A 21 8.546 14.313 -0.056 1.00 0.00 C ATOM 251 CG PRO A 21 7.168 13.776 -0.232 1.00 0.00 C ATOM 252 CD PRO A 21 7.273 12.701 -1.278 1.00 0.00 C ATOM 0 HA PRO A 21 10.419 13.370 -0.752 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.685 14.728 0.942 1.00 0.00 H new ATOM 0 HB3 PRO A 21 8.752 15.114 -0.765 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.784 13.373 0.705 1.00 0.00 H new ATOM 0 HG3 PRO A 21 6.480 14.561 -0.547 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.560 11.896 -1.100 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.071 13.090 -2.276 1.00 0.00 H new ATOM 260 N PRO A 22 10.798 13.048 1.746 1.00 0.00 N ATOM 261 CA PRO A 22 11.259 12.535 3.039 1.00 0.00 C ATOM 262 C PRO A 22 10.213 12.703 4.136 1.00 0.00 C ATOM 263 O PRO A 22 10.331 12.120 5.214 1.00 0.00 O ATOM 264 CB PRO A 22 12.492 13.390 3.341 1.00 0.00 C ATOM 265 CG PRO A 22 12.269 14.655 2.586 1.00 0.00 C ATOM 266 CD PRO A 22 11.516 14.269 1.344 1.00 0.00 C ATOM 0 HA PRO A 22 11.464 11.465 3.003 1.00 0.00 H new ATOM 0 HB2 PRO A 22 12.591 13.579 4.410 1.00 0.00 H new ATOM 0 HB3 PRO A 22 13.407 12.893 3.019 1.00 0.00 H new ATOM 0 HG2 PRO A 22 11.700 15.369 3.181 1.00 0.00 H new ATOM 0 HG3 PRO A 22 13.216 15.132 2.335 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.829 15.055 1.030 1.00 0.00 H new ATOM 0 HD3 PRO A 22 12.189 14.082 0.508 1.00 0.00 H new ATOM 274 N ASP A 23 9.190 13.502 3.854 1.00 0.00 N ATOM 275 CA ASP A 23 8.121 13.746 4.816 1.00 0.00 C ATOM 276 C ASP A 23 7.048 12.666 4.722 1.00 0.00 C ATOM 277 O ASP A 23 6.336 12.398 5.689 1.00 0.00 O ATOM 278 CB ASP A 23 7.499 15.123 4.581 1.00 0.00 C ATOM 279 CG ASP A 23 8.516 16.243 4.675 1.00 0.00 C ATOM 280 OD1 ASP A 23 9.576 16.029 5.300 1.00 0.00 O ATOM 281 OD2 ASP A 23 8.253 17.333 4.126 1.00 0.00 O ATOM 0 H ASP A 23 9.078 13.992 2.967 1.00 0.00 H new ATOM 0 HA ASP A 23 8.553 13.717 5.816 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.031 15.143 3.597 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.709 15.291 5.313 1.00 0.00 H new ATOM 286 N VAL A 24 6.938 12.049 3.549 1.00 0.00 N ATOM 287 CA VAL A 24 5.952 10.998 3.328 1.00 0.00 C ATOM 288 C VAL A 24 6.613 9.625 3.282 1.00 0.00 C ATOM 289 O VAL A 24 5.968 8.606 3.529 1.00 0.00 O ATOM 290 CB VAL A 24 5.174 11.225 2.019 1.00 0.00 C ATOM 291 CG1 VAL A 24 4.140 10.128 1.815 1.00 0.00 C ATOM 292 CG2 VAL A 24 4.515 12.596 2.022 1.00 0.00 C ATOM 0 H VAL A 24 7.520 12.259 2.738 1.00 0.00 H new ATOM 0 HA VAL A 24 5.257 11.035 4.166 1.00 0.00 H new ATOM 0 HB VAL A 24 5.878 11.187 1.187 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.600 10.305 0.885 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.640 9.161 1.765 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.438 10.131 2.648 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.969 12.740 1.089 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.823 12.665 2.861 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.280 13.367 2.117 1.00 0.00 H new ATOM 302 N GLN A 25 7.904 9.606 2.966 1.00 0.00 N ATOM 303 CA GLN A 25 8.653 8.357 2.887 1.00 0.00 C ATOM 304 C GLN A 25 8.474 7.535 4.159 1.00 0.00 C ATOM 305 O GLN A 25 8.046 6.381 4.126 1.00 0.00 O ATOM 306 CB GLN A 25 10.138 8.642 2.654 1.00 0.00 C ATOM 307 CG GLN A 25 10.645 8.163 1.304 1.00 0.00 C ATOM 308 CD GLN A 25 12.132 8.392 1.124 1.00 0.00 C ATOM 309 OE1 GLN A 25 12.786 8.998 1.974 1.00 0.00 O ATOM 310 NE2 GLN A 25 12.676 7.907 0.014 1.00 0.00 N ATOM 0 H GLN A 25 8.453 10.441 2.761 1.00 0.00 H new ATOM 0 HA GLN A 25 8.265 7.782 2.046 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.311 9.715 2.738 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.719 8.163 3.442 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.429 7.100 1.196 1.00 0.00 H new ATOM 0 HG3 GLN A 25 10.103 8.681 0.512 1.00 0.00 H new ATOM 0 HE21 GLN A 25 12.097 7.411 -0.663 1.00 0.00 H new ATOM 0 HE22 GLN A 25 13.673 8.030 -0.161 1.00 0.00 H new ATOM 319 N PRO A 26 8.810 8.140 5.308 1.00 0.00 N ATOM 320 CA PRO A 26 8.695 7.481 6.613 1.00 0.00 C ATOM 321 C PRO A 26 7.243 7.275 7.032 1.00 0.00 C ATOM 322 O PRO A 26 6.955 6.509 7.952 1.00 0.00 O ATOM 323 CB PRO A 26 9.393 8.456 7.565 1.00 0.00 C ATOM 324 CG PRO A 26 9.275 9.784 6.900 1.00 0.00 C ATOM 325 CD PRO A 26 9.327 9.514 5.422 1.00 0.00 C ATOM 0 HA PRO A 26 9.133 6.483 6.606 1.00 0.00 H new ATOM 0 HB2 PRO A 26 8.917 8.461 8.546 1.00 0.00 H new ATOM 0 HB3 PRO A 26 10.437 8.181 7.718 1.00 0.00 H new ATOM 0 HG2 PRO A 26 8.342 10.276 7.174 1.00 0.00 H new ATOM 0 HG3 PRO A 26 10.086 10.446 7.204 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.715 10.221 4.862 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.342 9.595 5.034 1.00 0.00 H new ATOM 333 N VAL A 27 6.332 7.962 6.351 1.00 0.00 N ATOM 334 CA VAL A 27 4.909 7.853 6.651 1.00 0.00 C ATOM 335 C VAL A 27 4.290 6.650 5.949 1.00 0.00 C ATOM 336 O VAL A 27 3.304 6.083 6.420 1.00 0.00 O ATOM 337 CB VAL A 27 4.148 9.125 6.235 1.00 0.00 C ATOM 338 CG1 VAL A 27 2.662 8.978 6.524 1.00 0.00 C ATOM 339 CG2 VAL A 27 4.720 10.344 6.944 1.00 0.00 C ATOM 0 H VAL A 27 6.554 8.601 5.587 1.00 0.00 H new ATOM 0 HA VAL A 27 4.822 7.724 7.730 1.00 0.00 H new ATOM 0 HB VAL A 27 4.272 9.266 5.161 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.141 9.887 6.223 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.265 8.130 5.965 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.514 8.811 7.591 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.170 11.234 6.638 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.629 10.214 8.022 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.771 10.458 6.680 1.00 0.00 H new ATOM 349 N ILE A 28 4.875 6.266 4.819 1.00 0.00 N ATOM 350 CA ILE A 28 4.382 5.129 4.052 1.00 0.00 C ATOM 351 C ILE A 28 5.119 3.849 4.430 1.00 0.00 C ATOM 352 O ILE A 28 4.527 2.770 4.474 1.00 0.00 O ATOM 353 CB ILE A 28 4.530 5.365 2.537 1.00 0.00 C ATOM 354 CG1 ILE A 28 3.771 6.626 2.119 1.00 0.00 C ATOM 355 CG2 ILE A 28 4.028 4.157 1.761 1.00 0.00 C ATOM 356 CD1 ILE A 28 3.885 6.938 0.643 1.00 0.00 C ATOM 0 H ILE A 28 5.691 6.726 4.415 1.00 0.00 H new ATOM 0 HA ILE A 28 3.325 5.021 4.293 1.00 0.00 H new ATOM 0 HB ILE A 28 5.586 5.506 2.308 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.718 6.509 2.377 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.148 7.474 2.692 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.139 4.339 0.692 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.608 3.278 2.041 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.977 3.987 1.993 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.323 7.844 0.418 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.933 7.087 0.382 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.482 6.108 0.063 1.00 0.00 H new ATOM 368 N ASP A 29 6.412 3.977 4.704 1.00 0.00 N ATOM 369 CA ASP A 29 7.230 2.830 5.082 1.00 0.00 C ATOM 370 C ASP A 29 6.703 2.184 6.360 1.00 0.00 C ATOM 371 O ASP A 29 6.629 0.959 6.464 1.00 0.00 O ATOM 372 CB ASP A 29 8.686 3.257 5.276 1.00 0.00 C ATOM 373 CG ASP A 29 9.488 2.240 6.063 1.00 0.00 C ATOM 374 OD1 ASP A 29 9.439 1.044 5.708 1.00 0.00 O ATOM 375 OD2 ASP A 29 10.165 2.640 7.034 1.00 0.00 O ATOM 0 H ASP A 29 6.917 4.863 4.672 1.00 0.00 H new ATOM 0 HA ASP A 29 7.178 2.097 4.277 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.151 3.406 4.301 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.714 4.216 5.793 1.00 0.00 H new ATOM 380 N LYS A 30 6.338 3.015 7.330 1.00 0.00 N ATOM 381 CA LYS A 30 5.817 2.526 8.601 1.00 0.00 C ATOM 382 C LYS A 30 4.571 1.673 8.387 1.00 0.00 C ATOM 383 O LYS A 30 4.500 0.532 8.845 1.00 0.00 O ATOM 384 CB LYS A 30 5.492 3.699 9.528 1.00 0.00 C ATOM 385 CG LYS A 30 5.153 3.278 10.947 1.00 0.00 C ATOM 386 CD LYS A 30 3.651 3.267 11.182 1.00 0.00 C ATOM 387 CE LYS A 30 3.320 3.232 12.666 1.00 0.00 C ATOM 388 NZ LYS A 30 2.848 4.555 13.160 1.00 0.00 N ATOM 0 H LYS A 30 6.393 4.031 7.260 1.00 0.00 H new ATOM 0 HA LYS A 30 6.584 1.906 9.065 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.344 4.378 9.553 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.652 4.257 9.113 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.560 2.285 11.140 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.628 3.960 11.653 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.204 4.152 10.729 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.211 2.400 10.689 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.552 2.481 12.849 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.203 2.928 13.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.633 4.490 14.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.591 5.267 13.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.991 4.833 12.642 1.00 0.00 H new ATOM 402 N LEU A 31 3.590 2.233 7.687 1.00 0.00 N ATOM 403 CA LEU A 31 2.346 1.523 7.410 1.00 0.00 C ATOM 404 C LEU A 31 2.613 0.243 6.625 1.00 0.00 C ATOM 405 O LEU A 31 1.928 -0.763 6.807 1.00 0.00 O ATOM 406 CB LEU A 31 1.386 2.422 6.630 1.00 0.00 C ATOM 407 CG LEU A 31 -0.090 2.022 6.669 1.00 0.00 C ATOM 408 CD1 LEU A 31 -0.633 2.125 8.085 1.00 0.00 C ATOM 409 CD2 LEU A 31 -0.903 2.889 5.719 1.00 0.00 C ATOM 0 H LEU A 31 3.632 3.176 7.301 1.00 0.00 H new ATOM 0 HA LEU A 31 1.890 1.255 8.363 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.477 3.437 7.016 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.708 2.446 5.589 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.175 0.985 6.344 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.684 1.837 8.093 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.069 1.461 8.740 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.535 3.152 8.438 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.950 2.590 5.760 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.812 3.935 6.013 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.530 2.764 4.703 1.00 0.00 H new ATOM 421 N ALA A 32 3.615 0.287 5.753 1.00 0.00 N ATOM 422 CA ALA A 32 3.975 -0.870 4.943 1.00 0.00 C ATOM 423 C ALA A 32 4.387 -2.047 5.821 1.00 0.00 C ATOM 424 O ALA A 32 3.955 -3.178 5.601 1.00 0.00 O ATOM 425 CB ALA A 32 5.096 -0.511 3.979 1.00 0.00 C ATOM 0 H ALA A 32 4.192 1.112 5.590 1.00 0.00 H new ATOM 0 HA ALA A 32 3.098 -1.168 4.368 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.355 -1.384 3.380 1.00 0.00 H new ATOM 0 HB2 ALA A 32 4.767 0.294 3.322 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.970 -0.186 4.543 1.00 0.00 H new ATOM 431 N GLU A 33 5.225 -1.773 6.816 1.00 0.00 N ATOM 432 CA GLU A 33 5.695 -2.811 7.726 1.00 0.00 C ATOM 433 C GLU A 33 4.573 -3.275 8.650 1.00 0.00 C ATOM 434 O GLU A 33 4.553 -4.423 9.093 1.00 0.00 O ATOM 435 CB GLU A 33 6.874 -2.298 8.555 1.00 0.00 C ATOM 436 CG GLU A 33 7.487 -3.354 9.460 1.00 0.00 C ATOM 437 CD GLU A 33 7.423 -2.973 10.926 1.00 0.00 C ATOM 438 OE1 GLU A 33 6.312 -2.999 11.497 1.00 0.00 O ATOM 439 OE2 GLU A 33 8.482 -2.651 11.503 1.00 0.00 O ATOM 0 H GLU A 33 5.592 -0.842 7.012 1.00 0.00 H new ATOM 0 HA GLU A 33 6.023 -3.661 7.127 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.642 -1.918 7.882 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.541 -1.458 9.165 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.968 -4.301 9.311 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.527 -3.513 9.175 1.00 0.00 H new ATOM 446 N TYR A 34 3.641 -2.373 8.937 1.00 0.00 N ATOM 447 CA TYR A 34 2.516 -2.687 9.810 1.00 0.00 C ATOM 448 C TYR A 34 1.526 -3.613 9.111 1.00 0.00 C ATOM 449 O TYR A 34 1.259 -4.721 9.577 1.00 0.00 O ATOM 450 CB TYR A 34 1.809 -1.403 10.248 1.00 0.00 C ATOM 451 CG TYR A 34 1.288 -1.452 11.666 1.00 0.00 C ATOM 452 CD1 TYR A 34 2.107 -1.124 12.740 1.00 0.00 C ATOM 453 CD2 TYR A 34 -0.023 -1.828 11.933 1.00 0.00 C ATOM 454 CE1 TYR A 34 1.635 -1.168 14.038 1.00 0.00 C ATOM 455 CE2 TYR A 34 -0.503 -1.874 13.227 1.00 0.00 C ATOM 456 CZ TYR A 34 0.329 -1.543 14.276 1.00 0.00 C ATOM 457 OH TYR A 34 -0.145 -1.589 15.567 1.00 0.00 O ATOM 0 H TYR A 34 3.642 -1.418 8.578 1.00 0.00 H new ATOM 0 HA TYR A 34 2.904 -3.198 10.691 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.501 -0.567 10.153 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.978 -1.207 9.571 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.130 -0.830 12.557 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.678 -2.089 11.114 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.285 -0.910 14.861 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.525 -2.168 13.417 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.084 -1.871 15.561 1.00 0.00 H new ATOM 467 N VAL A 35 0.984 -3.151 7.989 1.00 0.00 N ATOM 468 CA VAL A 35 0.024 -3.937 7.224 1.00 0.00 C ATOM 469 C VAL A 35 0.624 -5.271 6.795 1.00 0.00 C ATOM 470 O VAL A 35 -0.088 -6.264 6.644 1.00 0.00 O ATOM 471 CB VAL A 35 -0.455 -3.176 5.973 1.00 0.00 C ATOM 472 CG1 VAL A 35 -1.457 -4.011 5.190 1.00 0.00 C ATOM 473 CG2 VAL A 35 -1.056 -1.834 6.364 1.00 0.00 C ATOM 0 H VAL A 35 1.194 -2.236 7.590 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.829 -4.119 7.878 1.00 0.00 H new ATOM 0 HB VAL A 35 0.406 -2.990 5.331 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.784 -3.457 4.310 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.988 -4.944 4.878 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.318 -4.231 5.820 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.389 -1.310 5.468 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.906 -1.995 7.027 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.304 -1.234 6.877 1.00 0.00 H new ATOM 483 N ALA A 36 1.939 -5.287 6.600 1.00 0.00 N ATOM 484 CA ALA A 36 2.636 -6.500 6.191 1.00 0.00 C ATOM 485 C ALA A 36 2.706 -7.505 7.335 1.00 0.00 C ATOM 486 O ALA A 36 2.742 -8.715 7.110 1.00 0.00 O ATOM 487 CB ALA A 36 4.034 -6.163 5.694 1.00 0.00 C ATOM 0 H ALA A 36 2.543 -4.473 6.719 1.00 0.00 H new ATOM 0 HA ALA A 36 2.073 -6.956 5.376 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.543 -7.078 5.392 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.964 -5.488 4.841 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.598 -5.681 6.493 1.00 0.00 H new ATOM 493 N ARG A 37 2.727 -6.997 8.563 1.00 0.00 N ATOM 494 CA ARG A 37 2.796 -7.851 9.742 1.00 0.00 C ATOM 495 C ARG A 37 1.400 -8.278 10.186 1.00 0.00 C ATOM 496 O ARG A 37 1.115 -9.468 10.310 1.00 0.00 O ATOM 497 CB ARG A 37 3.505 -7.122 10.885 1.00 0.00 C ATOM 498 CG ARG A 37 4.833 -7.749 11.276 1.00 0.00 C ATOM 499 CD ARG A 37 5.877 -6.690 11.596 1.00 0.00 C ATOM 500 NE ARG A 37 7.227 -7.133 11.260 1.00 0.00 N ATOM 501 CZ ARG A 37 7.927 -7.985 12.001 1.00 0.00 C ATOM 502 NH1 ARG A 37 7.407 -8.484 13.113 1.00 0.00 N ATOM 503 NH2 ARG A 37 9.150 -8.340 11.628 1.00 0.00 N ATOM 0 H ARG A 37 2.697 -5.998 8.767 1.00 0.00 H new ATOM 0 HA ARG A 37 3.365 -8.743 9.481 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.674 -6.085 10.594 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.850 -7.106 11.756 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.691 -8.394 12.143 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.191 -8.381 10.463 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.648 -5.777 11.046 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.830 -6.443 12.657 1.00 0.00 H new ATOM 0 HE ARG A 37 7.656 -6.768 10.410 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.467 -8.214 13.402 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.947 -9.138 13.680 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.553 -7.959 10.772 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.687 -8.994 12.197 1.00 0.00 H new ATOM 517 N ASN A 38 0.534 -7.298 10.424 1.00 0.00 N ATOM 518 CA ASN A 38 -0.832 -7.572 10.855 1.00 0.00 C ATOM 519 C ASN A 38 -1.608 -8.307 9.766 1.00 0.00 C ATOM 520 O ASN A 38 -2.142 -9.391 9.994 1.00 0.00 O ATOM 521 CB ASN A 38 -1.546 -6.269 11.216 1.00 0.00 C ATOM 522 CG ASN A 38 -1.144 -5.748 12.582 1.00 0.00 C ATOM 523 OD1 ASN A 38 -1.764 -6.079 13.593 1.00 0.00 O ATOM 524 ND2 ASN A 38 -0.100 -4.928 12.618 1.00 0.00 N ATOM 0 H ASN A 38 0.754 -6.307 10.326 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.788 -8.210 11.738 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.322 -5.514 10.462 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -2.624 -6.431 11.195 1.00 0.00 H new ATOM 0 HD21 ASN A 38 0.218 -4.546 13.509 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.384 -4.681 11.755 1.00 0.00 H new ATOM 531 N GLY A 39 -1.667 -7.706 8.581 1.00 0.00 N ATOM 532 CA GLY A 39 -2.380 -8.318 7.475 1.00 0.00 C ATOM 533 C GLY A 39 -3.037 -7.293 6.572 1.00 0.00 C ATOM 534 O GLY A 39 -3.149 -6.119 6.931 1.00 0.00 O ATOM 0 H GLY A 39 -1.234 -6.807 8.368 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.687 -8.922 6.890 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.140 -8.994 7.866 1.00 0.00 H new ATOM 538 N LEU A 40 -3.471 -7.734 5.397 1.00 0.00 N ATOM 539 CA LEU A 40 -4.120 -6.846 4.438 1.00 0.00 C ATOM 540 C LEU A 40 -5.438 -6.316 4.993 1.00 0.00 C ATOM 541 O LEU A 40 -5.891 -5.233 4.620 1.00 0.00 O ATOM 542 CB LEU A 40 -4.367 -7.580 3.119 1.00 0.00 C ATOM 543 CG LEU A 40 -3.405 -7.248 1.977 1.00 0.00 C ATOM 544 CD1 LEU A 40 -2.846 -8.523 1.364 1.00 0.00 C ATOM 545 CD2 LEU A 40 -4.104 -6.407 0.918 1.00 0.00 C ATOM 0 H LEU A 40 -3.386 -8.701 5.085 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.457 -6.000 4.257 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.319 -8.652 3.308 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.382 -7.360 2.788 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.575 -6.669 2.382 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.164 -8.268 0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.309 -9.088 2.126 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.664 -9.128 0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.405 -6.180 0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.953 -6.960 0.516 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.456 -5.477 1.365 1.00 0.00 H new ATOM 557 N LYS A 41 -6.050 -7.085 5.887 1.00 0.00 N ATOM 558 CA LYS A 41 -7.315 -6.693 6.497 1.00 0.00 C ATOM 559 C LYS A 41 -7.220 -5.293 7.095 1.00 0.00 C ATOM 560 O LYS A 41 -8.169 -4.512 7.026 1.00 0.00 O ATOM 561 CB LYS A 41 -7.715 -7.696 7.581 1.00 0.00 C ATOM 562 CG LYS A 41 -8.012 -9.086 7.044 1.00 0.00 C ATOM 563 CD LYS A 41 -9.336 -9.615 7.568 1.00 0.00 C ATOM 564 CE LYS A 41 -9.938 -10.644 6.624 1.00 0.00 C ATOM 565 NZ LYS A 41 -11.145 -10.119 5.928 1.00 0.00 N ATOM 0 H LYS A 41 -5.690 -7.985 6.206 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.078 -6.686 5.718 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.913 -7.763 8.316 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.595 -7.322 8.104 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.036 -9.059 5.955 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.209 -9.766 7.329 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.187 -10.064 8.550 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.033 -8.788 7.699 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.193 -10.939 5.886 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.203 -11.540 7.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.526 -10.850 5.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.866 -9.861 6.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.887 -9.279 5.372 1.00 0.00 H new ATOM 579 N PHE A 42 -6.068 -4.982 7.681 1.00 0.00 N ATOM 580 CA PHE A 42 -5.849 -3.675 8.291 1.00 0.00 C ATOM 581 C PHE A 42 -5.899 -2.570 7.241 1.00 0.00 C ATOM 582 O PHE A 42 -6.337 -1.454 7.520 1.00 0.00 O ATOM 583 CB PHE A 42 -4.501 -3.646 9.015 1.00 0.00 C ATOM 584 CG PHE A 42 -4.364 -2.505 9.981 1.00 0.00 C ATOM 585 CD1 PHE A 42 -4.146 -1.215 9.523 1.00 0.00 C ATOM 586 CD2 PHE A 42 -4.454 -2.721 11.347 1.00 0.00 C ATOM 587 CE1 PHE A 42 -4.018 -0.163 10.410 1.00 0.00 C ATOM 588 CE2 PHE A 42 -4.328 -1.672 12.239 1.00 0.00 C ATOM 589 CZ PHE A 42 -4.111 -0.392 11.770 1.00 0.00 C ATOM 0 H PHE A 42 -5.272 -5.617 7.746 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.646 -3.501 9.014 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.366 -4.585 9.552 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.702 -3.584 8.276 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.075 -1.030 8.461 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.625 -3.720 11.719 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.845 0.837 10.041 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.399 -1.854 13.301 1.00 0.00 H new ATOM 0 HZ PHE A 42 -4.014 0.429 12.465 1.00 0.00 H new ATOM 599 N GLU A 43 -5.445 -2.889 6.032 1.00 0.00 N ATOM 600 CA GLU A 43 -5.437 -1.922 4.941 1.00 0.00 C ATOM 601 C GLU A 43 -6.835 -1.361 4.700 1.00 0.00 C ATOM 602 O GLU A 43 -6.993 -0.243 4.208 1.00 0.00 O ATOM 603 CB GLU A 43 -4.908 -2.571 3.660 1.00 0.00 C ATOM 604 CG GLU A 43 -4.602 -1.574 2.554 1.00 0.00 C ATOM 605 CD GLU A 43 -4.772 -2.168 1.169 1.00 0.00 C ATOM 606 OE1 GLU A 43 -5.910 -2.160 0.656 1.00 0.00 O ATOM 607 OE2 GLU A 43 -3.767 -2.641 0.599 1.00 0.00 O ATOM 0 H GLU A 43 -5.079 -3.808 5.784 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.779 -1.100 5.223 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.002 -3.131 3.894 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.643 -3.290 3.297 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.258 -0.710 2.657 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.580 -1.214 2.668 1.00 0.00 H new ATOM 614 N THR A 44 -7.850 -2.146 5.049 1.00 0.00 N ATOM 615 CA THR A 44 -9.235 -1.729 4.870 1.00 0.00 C ATOM 616 C THR A 44 -9.663 -0.757 5.964 1.00 0.00 C ATOM 617 O THR A 44 -10.489 0.127 5.733 1.00 0.00 O ATOM 618 CB THR A 44 -10.190 -2.938 4.873 1.00 0.00 C ATOM 619 OG1 THR A 44 -9.681 -3.965 4.014 1.00 0.00 O ATOM 620 CG2 THR A 44 -11.581 -2.530 4.414 1.00 0.00 C ATOM 0 H THR A 44 -7.738 -3.074 5.457 1.00 0.00 H new ATOM 0 HA THR A 44 -9.292 -1.231 3.902 1.00 0.00 H new ATOM 0 HB THR A 44 -10.258 -3.317 5.893 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.292 -4.731 4.022 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.237 -3.400 4.424 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.977 -1.769 5.086 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.527 -2.128 3.402 1.00 0.00 H new ATOM 628 N SER A 45 -9.094 -0.924 7.154 1.00 0.00 N ATOM 629 CA SER A 45 -9.419 -0.062 8.284 1.00 0.00 C ATOM 630 C SER A 45 -8.866 1.344 8.072 1.00 0.00 C ATOM 631 O SER A 45 -9.540 2.337 8.348 1.00 0.00 O ATOM 632 CB SER A 45 -8.860 -0.652 9.580 1.00 0.00 C ATOM 633 OG SER A 45 -9.901 -1.143 10.407 1.00 0.00 O ATOM 0 H SER A 45 -8.406 -1.648 7.360 1.00 0.00 H new ATOM 0 HA SER A 45 -10.504 0.001 8.360 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.166 -1.459 9.346 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.294 0.110 10.116 1.00 0.00 H new ATOM 0 HG SER A 45 -9.518 -1.516 11.228 1.00 0.00 H new ATOM 639 N VAL A 46 -7.634 1.420 7.579 1.00 0.00 N ATOM 640 CA VAL A 46 -6.989 2.703 7.327 1.00 0.00 C ATOM 641 C VAL A 46 -7.667 3.444 6.180 1.00 0.00 C ATOM 642 O VAL A 46 -7.732 4.673 6.174 1.00 0.00 O ATOM 643 CB VAL A 46 -5.495 2.525 6.998 1.00 0.00 C ATOM 644 CG1 VAL A 46 -5.320 1.639 5.774 1.00 0.00 C ATOM 645 CG2 VAL A 46 -4.832 3.878 6.787 1.00 0.00 C ATOM 0 H VAL A 46 -7.062 0.608 7.346 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.085 3.290 8.241 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.010 2.036 7.843 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.258 1.524 5.557 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.758 0.660 5.968 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.818 2.097 4.919 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.777 3.734 6.555 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.318 4.396 5.960 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.926 4.475 7.694 1.00 0.00 H new ATOM 655 N ARG A 47 -8.171 2.687 5.210 1.00 0.00 N ATOM 656 CA ARG A 47 -8.843 3.272 4.057 1.00 0.00 C ATOM 657 C ARG A 47 -10.218 3.809 4.443 1.00 0.00 C ATOM 658 O ARG A 47 -10.677 4.814 3.901 1.00 0.00 O ATOM 659 CB ARG A 47 -8.985 2.234 2.942 1.00 0.00 C ATOM 660 CG ARG A 47 -9.319 2.836 1.587 1.00 0.00 C ATOM 661 CD ARG A 47 -9.651 1.760 0.566 1.00 0.00 C ATOM 662 NE ARG A 47 -10.838 2.095 -0.216 1.00 0.00 N ATOM 663 CZ ARG A 47 -12.074 2.059 0.271 1.00 0.00 C ATOM 664 NH1 ARG A 47 -12.283 1.705 1.531 1.00 0.00 N ATOM 665 NH2 ARG A 47 -13.103 2.378 -0.503 1.00 0.00 N ATOM 0 H ARG A 47 -8.126 1.668 5.200 1.00 0.00 H new ATOM 0 HA ARG A 47 -8.235 4.102 3.697 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -8.055 1.671 2.861 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -9.765 1.523 3.216 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -10.165 3.516 1.688 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.475 3.427 1.232 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.802 1.622 -0.104 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -9.810 0.811 1.078 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.711 2.372 -1.190 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -11.494 1.459 2.129 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -13.233 1.678 1.902 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -12.946 2.651 -1.473 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -14.051 2.350 -0.128 1.00 0.00 H new ATOM 679 N ALA A 48 -10.869 3.133 5.384 1.00 0.00 N ATOM 680 CA ALA A 48 -12.190 3.543 5.844 1.00 0.00 C ATOM 681 C ALA A 48 -12.153 4.949 6.434 1.00 0.00 C ATOM 682 O ALA A 48 -13.157 5.662 6.429 1.00 0.00 O ATOM 683 CB ALA A 48 -12.723 2.552 6.868 1.00 0.00 C ATOM 0 H ALA A 48 -10.503 2.299 5.843 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.860 3.555 4.984 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -13.710 2.870 7.203 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -12.795 1.564 6.414 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -12.046 2.511 7.721 1.00 0.00 H new ATOM 689 N LYS A 49 -10.990 5.342 6.944 1.00 0.00 N ATOM 690 CA LYS A 49 -10.822 6.662 7.538 1.00 0.00 C ATOM 691 C LYS A 49 -10.923 7.753 6.477 1.00 0.00 C ATOM 692 O LYS A 49 -11.503 8.812 6.714 1.00 0.00 O ATOM 693 CB LYS A 49 -9.472 6.754 8.252 1.00 0.00 C ATOM 694 CG LYS A 49 -9.199 5.591 9.190 1.00 0.00 C ATOM 695 CD LYS A 49 -8.416 6.034 10.414 1.00 0.00 C ATOM 696 CE LYS A 49 -9.255 5.934 11.679 1.00 0.00 C ATOM 697 NZ LYS A 49 -10.172 7.097 11.830 1.00 0.00 N ATOM 0 H LYS A 49 -10.150 4.764 6.957 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.621 6.811 8.264 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.679 6.802 7.506 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.433 7.684 8.819 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.143 5.145 9.503 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.642 4.818 8.660 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.523 5.418 10.519 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.080 7.062 10.280 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.837 5.013 11.657 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.598 5.875 12.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.726 6.991 12.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.615 7.974 11.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.816 7.139 11.015 1.00 0.00 H new ATOM 711 N ASN A 50 -10.355 7.487 5.305 1.00 0.00 N ATOM 712 CA ASN A 50 -10.383 8.446 4.207 1.00 0.00 C ATOM 713 C ASN A 50 -9.823 9.795 4.648 1.00 0.00 C ATOM 714 O ASN A 50 -10.186 10.838 4.104 1.00 0.00 O ATOM 715 CB ASN A 50 -11.812 8.620 3.689 1.00 0.00 C ATOM 716 CG ASN A 50 -11.862 8.833 2.189 1.00 0.00 C ATOM 717 OD1 ASN A 50 -11.740 9.959 1.706 1.00 0.00 O ATOM 718 ND2 ASN A 50 -12.042 7.749 1.443 1.00 0.00 N ATOM 0 H ASN A 50 -9.870 6.615 5.092 1.00 0.00 H new ATOM 0 HA ASN A 50 -9.757 8.057 3.403 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -12.399 7.739 3.948 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -12.276 9.470 4.189 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -12.084 7.830 0.427 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -12.138 6.835 1.886 1.00 0.00 H new ATOM 725 N ASP A 51 -8.936 9.766 5.637 1.00 0.00 N ATOM 726 CA ASP A 51 -8.324 10.985 6.151 1.00 0.00 C ATOM 727 C ASP A 51 -7.240 11.491 5.204 1.00 0.00 C ATOM 728 O ASP A 51 -6.560 10.702 4.548 1.00 0.00 O ATOM 729 CB ASP A 51 -7.730 10.738 7.539 1.00 0.00 C ATOM 730 CG ASP A 51 -8.160 11.784 8.548 1.00 0.00 C ATOM 731 OD1 ASP A 51 -9.341 11.767 8.953 1.00 0.00 O ATOM 732 OD2 ASP A 51 -7.316 12.621 8.932 1.00 0.00 O ATOM 0 H ASP A 51 -8.625 8.911 6.098 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.100 11.747 6.226 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.034 9.752 7.891 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.642 10.730 7.469 1.00 0.00 H new ATOM 737 N GLN A 52 -7.087 12.809 5.138 1.00 0.00 N ATOM 738 CA GLN A 52 -6.087 13.419 4.269 1.00 0.00 C ATOM 739 C GLN A 52 -4.699 12.853 4.555 1.00 0.00 C ATOM 740 O GLN A 52 -3.836 12.826 3.678 1.00 0.00 O ATOM 741 CB GLN A 52 -6.079 14.937 4.452 1.00 0.00 C ATOM 742 CG GLN A 52 -5.985 15.375 5.905 1.00 0.00 C ATOM 743 CD GLN A 52 -5.500 16.803 6.054 1.00 0.00 C ATOM 744 OE1 GLN A 52 -4.364 17.047 6.459 1.00 0.00 O ATOM 745 NE2 GLN A 52 -6.363 17.758 5.725 1.00 0.00 N ATOM 0 H GLN A 52 -7.642 13.475 5.675 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.349 13.186 3.237 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.238 15.357 3.900 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.987 15.352 4.014 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.964 15.277 6.374 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.308 14.708 6.438 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.295 17.511 5.393 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.093 18.738 5.804 1.00 0.00 H new ATOM 754 N ARG A 53 -4.492 12.403 5.788 1.00 0.00 N ATOM 755 CA ARG A 53 -3.209 11.840 6.191 1.00 0.00 C ATOM 756 C ARG A 53 -2.975 10.488 5.523 1.00 0.00 C ATOM 757 O ARG A 53 -1.836 10.101 5.262 1.00 0.00 O ATOM 758 CB ARG A 53 -3.150 11.687 7.712 1.00 0.00 C ATOM 759 CG ARG A 53 -2.312 12.752 8.399 1.00 0.00 C ATOM 760 CD ARG A 53 -1.752 12.253 9.722 1.00 0.00 C ATOM 761 NE ARG A 53 -1.503 13.346 10.658 1.00 0.00 N ATOM 762 CZ ARG A 53 -0.427 14.124 10.610 1.00 0.00 C ATOM 763 NH1 ARG A 53 0.495 13.930 9.677 1.00 0.00 N ATOM 764 NH2 ARG A 53 -0.271 15.098 11.497 1.00 0.00 N ATOM 0 H ARG A 53 -5.196 12.417 6.525 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.423 12.525 5.871 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.164 11.720 8.112 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.744 10.705 7.954 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.492 13.050 7.745 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.920 13.640 8.572 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.451 11.546 10.168 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.823 11.712 9.541 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.193 13.522 11.389 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.379 13.182 8.993 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.320 14.529 9.643 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.977 15.250 12.217 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.555 15.695 11.459 1.00 0.00 H new ATOM 778 N PHE A 54 -4.062 9.774 5.248 1.00 0.00 N ATOM 779 CA PHE A 54 -3.976 8.465 4.612 1.00 0.00 C ATOM 780 C PHE A 54 -4.579 8.500 3.211 1.00 0.00 C ATOM 781 O PHE A 54 -5.501 7.745 2.902 1.00 0.00 O ATOM 782 CB PHE A 54 -4.692 7.413 5.462 1.00 0.00 C ATOM 783 CG PHE A 54 -4.090 7.234 6.826 1.00 0.00 C ATOM 784 CD1 PHE A 54 -2.877 6.584 6.983 1.00 0.00 C ATOM 785 CD2 PHE A 54 -4.739 7.714 7.952 1.00 0.00 C ATOM 786 CE1 PHE A 54 -2.320 6.417 8.237 1.00 0.00 C ATOM 787 CE2 PHE A 54 -4.187 7.551 9.209 1.00 0.00 C ATOM 788 CZ PHE A 54 -2.976 6.901 9.352 1.00 0.00 C ATOM 0 H PHE A 54 -5.012 10.080 5.456 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.922 8.198 4.528 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -5.739 7.696 5.570 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -4.672 6.458 4.937 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.360 6.203 6.115 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -5.687 8.221 7.847 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.373 5.909 8.345 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -4.702 7.931 10.079 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.544 6.772 10.333 1.00 0.00 H new ATOM 798 N GLU A 55 -4.052 9.382 2.368 1.00 0.00 N ATOM 799 CA GLU A 55 -4.539 9.517 1.000 1.00 0.00 C ATOM 800 C GLU A 55 -3.647 8.753 0.027 1.00 0.00 C ATOM 801 O GLU A 55 -4.106 8.277 -1.012 1.00 0.00 O ATOM 802 CB GLU A 55 -4.603 10.993 0.601 1.00 0.00 C ATOM 803 CG GLU A 55 -3.279 11.723 0.757 1.00 0.00 C ATOM 804 CD GLU A 55 -3.362 13.177 0.336 1.00 0.00 C ATOM 805 OE1 GLU A 55 -4.343 13.544 -0.344 1.00 0.00 O ATOM 806 OE2 GLU A 55 -2.445 13.949 0.687 1.00 0.00 O ATOM 0 H GLU A 55 -3.288 10.014 2.608 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.542 9.093 0.955 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.929 11.067 -0.437 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -5.358 11.493 1.208 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.958 11.668 1.797 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.518 11.219 0.161 1.00 0.00 H new ATOM 813 N PHE A 56 -2.368 8.640 0.370 1.00 0.00 N ATOM 814 CA PHE A 56 -1.410 7.935 -0.474 1.00 0.00 C ATOM 815 C PHE A 56 -1.859 6.499 -0.726 1.00 0.00 C ATOM 816 O PHE A 56 -1.502 5.893 -1.736 1.00 0.00 O ATOM 817 CB PHE A 56 -0.025 7.941 0.177 1.00 0.00 C ATOM 818 CG PHE A 56 -0.035 7.504 1.614 1.00 0.00 C ATOM 819 CD1 PHE A 56 -0.061 6.158 1.942 1.00 0.00 C ATOM 820 CD2 PHE A 56 -0.019 8.438 2.636 1.00 0.00 C ATOM 821 CE1 PHE A 56 -0.072 5.753 3.263 1.00 0.00 C ATOM 822 CE2 PHE A 56 -0.030 8.039 3.960 1.00 0.00 C ATOM 823 CZ PHE A 56 -0.055 6.694 4.273 1.00 0.00 C ATOM 0 H PHE A 56 -1.971 9.027 1.226 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.357 8.453 -1.431 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.636 7.285 -0.389 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.393 8.946 0.114 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.073 5.417 1.156 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.002 9.491 2.396 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.094 4.701 3.505 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.019 8.778 4.748 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.061 6.379 5.306 1.00 0.00 H new ATOM 833 N LEU A 57 -2.644 5.961 0.201 1.00 0.00 N ATOM 834 CA LEU A 57 -3.144 4.595 0.081 1.00 0.00 C ATOM 835 C LEU A 57 -4.173 4.488 -1.040 1.00 0.00 C ATOM 836 O LEU A 57 -4.365 3.419 -1.618 1.00 0.00 O ATOM 837 CB LEU A 57 -3.764 4.140 1.403 1.00 0.00 C ATOM 838 CG LEU A 57 -2.786 3.627 2.461 1.00 0.00 C ATOM 839 CD1 LEU A 57 -3.260 4.007 3.855 1.00 0.00 C ATOM 840 CD2 LEU A 57 -2.620 2.118 2.346 1.00 0.00 C ATOM 0 H LEU A 57 -2.948 6.449 1.044 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.302 3.946 -0.161 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.321 4.976 1.827 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.485 3.351 1.191 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.816 4.094 2.289 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.552 3.634 4.595 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.328 5.092 3.933 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.241 3.568 4.038 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.921 1.770 3.106 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.585 1.634 2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.235 1.869 1.357 1.00 0.00 H new ATOM 852 N GLN A 58 -4.830 5.603 -1.341 1.00 0.00 N ATOM 853 CA GLN A 58 -5.838 5.634 -2.394 1.00 0.00 C ATOM 854 C GLN A 58 -5.273 5.099 -3.706 1.00 0.00 C ATOM 855 O GLN A 58 -4.067 5.142 -3.953 1.00 0.00 O ATOM 856 CB GLN A 58 -6.355 7.060 -2.592 1.00 0.00 C ATOM 857 CG GLN A 58 -7.162 7.584 -1.415 1.00 0.00 C ATOM 858 CD GLN A 58 -8.584 7.060 -1.403 1.00 0.00 C ATOM 859 OE1 GLN A 58 -9.238 6.979 -2.443 1.00 0.00 O ATOM 860 NE2 GLN A 58 -9.072 6.700 -0.221 1.00 0.00 N ATOM 0 H GLN A 58 -4.683 6.496 -0.871 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.665 4.994 -2.088 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.508 7.724 -2.765 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -6.974 7.092 -3.489 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.667 7.302 -0.486 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.181 8.673 -1.448 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -8.495 6.784 0.616 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -10.024 6.340 -0.150 1.00 0.00 H new ATOM 869 N PRO A 59 -6.161 4.582 -4.567 1.00 0.00 N ATOM 870 CA PRO A 59 -5.774 4.028 -5.867 1.00 0.00 C ATOM 871 C PRO A 59 -5.310 5.106 -6.841 1.00 0.00 C ATOM 872 O PRO A 59 -4.264 4.974 -7.476 1.00 0.00 O ATOM 873 CB PRO A 59 -7.061 3.370 -6.371 1.00 0.00 C ATOM 874 CG PRO A 59 -8.157 4.108 -5.684 1.00 0.00 C ATOM 875 CD PRO A 59 -7.614 4.498 -4.337 1.00 0.00 C ATOM 0 HA PRO A 59 -4.933 3.340 -5.782 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.148 3.450 -7.455 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -7.085 2.308 -6.127 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -8.452 4.988 -6.255 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -9.044 3.482 -5.581 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -8.023 5.450 -3.999 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -7.858 3.758 -3.575 1.00 0.00 H new ATOM 883 N TRP A 60 -6.095 6.172 -6.954 1.00 0.00 N ATOM 884 CA TRP A 60 -5.764 7.273 -7.851 1.00 0.00 C ATOM 885 C TRP A 60 -4.408 7.875 -7.497 1.00 0.00 C ATOM 886 O TRP A 60 -3.652 8.288 -8.377 1.00 0.00 O ATOM 887 CB TRP A 60 -6.846 8.352 -7.788 1.00 0.00 C ATOM 888 CG TRP A 60 -7.060 8.900 -6.410 1.00 0.00 C ATOM 889 CD1 TRP A 60 -7.953 8.451 -5.479 1.00 0.00 C ATOM 890 CD2 TRP A 60 -6.369 10.000 -5.808 1.00 0.00 C ATOM 891 NE1 TRP A 60 -7.859 9.206 -4.334 1.00 0.00 N ATOM 892 CE2 TRP A 60 -6.894 10.162 -4.511 1.00 0.00 C ATOM 893 CE3 TRP A 60 -5.357 10.863 -6.238 1.00 0.00 C ATOM 894 CZ2 TRP A 60 -6.440 11.152 -3.643 1.00 0.00 C ATOM 895 CZ3 TRP A 60 -4.908 11.845 -5.375 1.00 0.00 C ATOM 896 CH2 TRP A 60 -5.449 11.983 -4.090 1.00 0.00 C ATOM 0 H TRP A 60 -6.965 6.297 -6.436 1.00 0.00 H new ATOM 0 HA TRP A 60 -5.712 6.879 -8.866 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -6.574 9.168 -8.457 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -7.784 7.937 -8.156 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -8.633 7.624 -5.622 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -8.417 9.076 -3.490 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -4.934 10.764 -7.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -6.855 11.260 -2.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -4.127 12.518 -5.697 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -5.077 12.761 -3.439 1.00 0.00 H new ATOM 907 N HIS A 61 -4.106 7.922 -6.203 1.00 0.00 N ATOM 908 CA HIS A 61 -2.839 8.473 -5.733 1.00 0.00 C ATOM 909 C HIS A 61 -1.661 7.766 -6.395 1.00 0.00 C ATOM 910 O HIS A 61 -1.735 6.578 -6.710 1.00 0.00 O ATOM 911 CB HIS A 61 -2.737 8.347 -4.213 1.00 0.00 C ATOM 912 CG HIS A 61 -2.327 9.617 -3.533 1.00 0.00 C ATOM 913 ND1 HIS A 61 -1.085 10.193 -3.699 1.00 0.00 N ATOM 914 CD2 HIS A 61 -3.003 10.423 -2.682 1.00 0.00 C ATOM 915 CE1 HIS A 61 -1.015 11.298 -2.979 1.00 0.00 C ATOM 916 NE2 HIS A 61 -2.166 11.460 -2.352 1.00 0.00 N ATOM 0 H HIS A 61 -4.721 7.586 -5.462 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.806 9.528 -6.005 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.701 8.028 -3.818 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.018 7.565 -3.969 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -0.337 9.823 -4.286 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -4.013 10.278 -2.328 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.162 11.957 -2.914 1.00 0.00 H new ATOM 924 N GLN A 62 -0.575 8.504 -6.604 1.00 0.00 N ATOM 925 CA GLN A 62 0.618 7.947 -7.230 1.00 0.00 C ATOM 926 C GLN A 62 1.511 7.271 -6.194 1.00 0.00 C ATOM 927 O GLN A 62 2.133 6.245 -6.472 1.00 0.00 O ATOM 928 CB GLN A 62 1.399 9.045 -7.954 1.00 0.00 C ATOM 929 CG GLN A 62 1.765 10.221 -7.063 1.00 0.00 C ATOM 930 CD GLN A 62 2.623 11.248 -7.775 1.00 0.00 C ATOM 931 OE1 GLN A 62 2.494 11.452 -8.983 1.00 0.00 O ATOM 932 NE2 GLN A 62 3.505 11.902 -7.029 1.00 0.00 N ATOM 0 H GLN A 62 -0.497 9.489 -6.349 1.00 0.00 H new ATOM 0 HA GLN A 62 0.301 7.197 -7.955 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.311 8.617 -8.369 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.806 9.407 -8.794 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.853 10.700 -6.707 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.297 9.855 -6.185 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.578 11.701 -6.032 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.110 12.605 -7.453 1.00 0.00 H new ATOM 941 N TYR A 63 1.568 7.851 -5.001 1.00 0.00 N ATOM 942 CA TYR A 63 2.387 7.305 -3.925 1.00 0.00 C ATOM 943 C TYR A 63 1.999 5.861 -3.624 1.00 0.00 C ATOM 944 O TYR A 63 2.811 5.079 -3.131 1.00 0.00 O ATOM 945 CB TYR A 63 2.241 8.158 -2.663 1.00 0.00 C ATOM 946 CG TYR A 63 2.819 9.548 -2.801 1.00 0.00 C ATOM 947 CD1 TYR A 63 4.046 9.753 -3.420 1.00 0.00 C ATOM 948 CD2 TYR A 63 2.139 10.656 -2.313 1.00 0.00 C ATOM 949 CE1 TYR A 63 4.578 11.022 -3.549 1.00 0.00 C ATOM 950 CE2 TYR A 63 2.663 11.929 -2.438 1.00 0.00 C ATOM 951 CZ TYR A 63 3.883 12.106 -3.056 1.00 0.00 C ATOM 952 OH TYR A 63 4.408 13.372 -3.181 1.00 0.00 O ATOM 0 H TYR A 63 1.057 8.699 -4.754 1.00 0.00 H new ATOM 0 HA TYR A 63 3.427 7.322 -4.249 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.184 8.237 -2.408 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.732 7.650 -1.833 1.00 0.00 H new ATOM 0 HD1 TYR A 63 4.593 8.906 -3.807 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.184 10.521 -1.827 1.00 0.00 H new ATOM 0 HE1 TYR A 63 5.533 11.164 -4.033 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.120 12.780 -2.054 1.00 0.00 H new ATOM 0 HH TYR A 63 3.792 14.022 -2.783 1.00 0.00 H new ATOM 962 N ASN A 64 0.752 5.515 -3.925 1.00 0.00 N ATOM 963 CA ASN A 64 0.255 4.165 -3.688 1.00 0.00 C ATOM 964 C ASN A 64 1.185 3.126 -4.307 1.00 0.00 C ATOM 965 O ASN A 64 1.306 2.009 -3.805 1.00 0.00 O ATOM 966 CB ASN A 64 -1.155 4.009 -4.262 1.00 0.00 C ATOM 967 CG ASN A 64 -1.728 2.626 -4.022 1.00 0.00 C ATOM 968 OD1 ASN A 64 -1.835 1.818 -4.944 1.00 0.00 O ATOM 969 ND2 ASN A 64 -2.099 2.347 -2.778 1.00 0.00 N ATOM 0 H ASN A 64 0.067 6.151 -4.334 1.00 0.00 H new ATOM 0 HA ASN A 64 0.222 4.002 -2.611 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -1.812 4.754 -3.813 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.132 4.209 -5.333 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -2.491 1.432 -2.556 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -1.992 3.048 -2.045 1.00 0.00 H new ATOM 976 N ALA A 65 1.841 3.503 -5.399 1.00 0.00 N ATOM 977 CA ALA A 65 2.762 2.606 -6.085 1.00 0.00 C ATOM 978 C ALA A 65 3.920 2.207 -5.176 1.00 0.00 C ATOM 979 O ALA A 65 4.245 1.026 -5.050 1.00 0.00 O ATOM 980 CB ALA A 65 3.287 3.258 -7.355 1.00 0.00 C ATOM 0 H ALA A 65 1.752 4.424 -5.828 1.00 0.00 H new ATOM 0 HA ALA A 65 2.216 1.701 -6.353 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.974 2.576 -7.857 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.453 3.486 -8.018 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.811 4.179 -7.101 1.00 0.00 H new ATOM 986 N TYR A 66 4.538 3.198 -4.544 1.00 0.00 N ATOM 987 CA TYR A 66 5.661 2.951 -3.648 1.00 0.00 C ATOM 988 C TYR A 66 5.235 2.089 -2.464 1.00 0.00 C ATOM 989 O TYR A 66 6.009 1.272 -1.965 1.00 0.00 O ATOM 990 CB TYR A 66 6.242 4.274 -3.147 1.00 0.00 C ATOM 991 CG TYR A 66 7.346 4.104 -2.128 1.00 0.00 C ATOM 992 CD1 TYR A 66 7.059 4.037 -0.770 1.00 0.00 C ATOM 993 CD2 TYR A 66 8.675 4.011 -2.522 1.00 0.00 C ATOM 994 CE1 TYR A 66 8.065 3.882 0.166 1.00 0.00 C ATOM 995 CE2 TYR A 66 9.686 3.855 -1.594 1.00 0.00 C ATOM 996 CZ TYR A 66 9.376 3.791 -0.252 1.00 0.00 C ATOM 997 OH TYR A 66 10.381 3.636 0.676 1.00 0.00 O ATOM 0 H TYR A 66 4.280 4.181 -4.636 1.00 0.00 H new ATOM 0 HA TYR A 66 6.427 2.414 -4.208 1.00 0.00 H new ATOM 0 HB2 TYR A 66 6.627 4.837 -3.997 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.442 4.869 -2.707 1.00 0.00 H new ATOM 0 HD1 TYR A 66 6.033 4.107 -0.440 1.00 0.00 H new ATOM 0 HD2 TYR A 66 8.922 4.062 -3.572 1.00 0.00 H new ATOM 0 HE1 TYR A 66 7.825 3.833 1.218 1.00 0.00 H new ATOM 0 HE2 TYR A 66 10.714 3.784 -1.918 1.00 0.00 H new ATOM 0 HH TYR A 66 11.245 3.587 0.217 1.00 0.00 H new ATOM 1007 N TYR A 67 3.997 2.277 -2.020 1.00 0.00 N ATOM 1008 CA TYR A 67 3.466 1.519 -0.893 1.00 0.00 C ATOM 1009 C TYR A 67 3.431 0.027 -1.209 1.00 0.00 C ATOM 1010 O TYR A 67 3.912 -0.794 -0.429 1.00 0.00 O ATOM 1011 CB TYR A 67 2.061 2.010 -0.538 1.00 0.00 C ATOM 1012 CG TYR A 67 1.404 1.215 0.568 1.00 0.00 C ATOM 1013 CD1 TYR A 67 1.921 1.224 1.858 1.00 0.00 C ATOM 1014 CD2 TYR A 67 0.267 0.456 0.323 1.00 0.00 C ATOM 1015 CE1 TYR A 67 1.325 0.499 2.871 1.00 0.00 C ATOM 1016 CE2 TYR A 67 -0.337 -0.271 1.331 1.00 0.00 C ATOM 1017 CZ TYR A 67 0.195 -0.246 2.603 1.00 0.00 C ATOM 1018 OH TYR A 67 -0.403 -0.970 3.609 1.00 0.00 O ATOM 0 H TYR A 67 3.343 2.948 -2.423 1.00 0.00 H new ATOM 0 HA TYR A 67 4.125 1.676 -0.039 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.116 3.057 -0.239 1.00 0.00 H new ATOM 0 HB3 TYR A 67 1.434 1.965 -1.428 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.804 1.808 2.072 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.152 0.434 -0.672 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.741 0.515 3.868 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.221 -0.856 1.124 1.00 0.00 H new ATOM 0 HH TYR A 67 -1.188 -1.437 3.254 1.00 0.00 H new ATOM 1028 N GLU A 68 2.857 -0.315 -2.358 1.00 0.00 N ATOM 1029 CA GLU A 68 2.758 -1.708 -2.778 1.00 0.00 C ATOM 1030 C GLU A 68 4.134 -2.369 -2.796 1.00 0.00 C ATOM 1031 O GLU A 68 4.257 -3.577 -2.590 1.00 0.00 O ATOM 1032 CB GLU A 68 2.116 -1.803 -4.163 1.00 0.00 C ATOM 1033 CG GLU A 68 0.688 -2.319 -4.138 1.00 0.00 C ATOM 1034 CD GLU A 68 0.367 -3.207 -5.325 1.00 0.00 C ATOM 1035 OE1 GLU A 68 0.411 -2.707 -6.469 1.00 0.00 O ATOM 1036 OE2 GLU A 68 0.073 -4.401 -5.110 1.00 0.00 O ATOM 0 H GLU A 68 2.454 0.353 -3.015 1.00 0.00 H new ATOM 0 HA GLU A 68 2.130 -2.234 -2.059 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.129 -0.817 -4.629 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.720 -2.460 -4.790 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.524 -2.877 -3.216 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.000 -1.473 -4.125 1.00 0.00 H new ATOM 1043 N PHE A 69 5.165 -1.569 -3.045 1.00 0.00 N ATOM 1044 CA PHE A 69 6.532 -2.076 -3.092 1.00 0.00 C ATOM 1045 C PHE A 69 7.044 -2.389 -1.689 1.00 0.00 C ATOM 1046 O PHE A 69 7.492 -3.502 -1.413 1.00 0.00 O ATOM 1047 CB PHE A 69 7.452 -1.058 -3.768 1.00 0.00 C ATOM 1048 CG PHE A 69 8.741 -1.650 -4.262 1.00 0.00 C ATOM 1049 CD1 PHE A 69 8.818 -2.221 -5.523 1.00 0.00 C ATOM 1050 CD2 PHE A 69 9.875 -1.637 -3.467 1.00 0.00 C ATOM 1051 CE1 PHE A 69 10.002 -2.768 -5.979 1.00 0.00 C ATOM 1052 CE2 PHE A 69 11.063 -2.182 -3.918 1.00 0.00 C ATOM 1053 CZ PHE A 69 11.126 -2.747 -5.177 1.00 0.00 C ATOM 0 H PHE A 69 5.080 -0.567 -3.217 1.00 0.00 H new ATOM 0 HA PHE A 69 6.532 -2.998 -3.674 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.925 -0.605 -4.607 1.00 0.00 H new ATOM 0 HB3 PHE A 69 7.676 -0.258 -3.062 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.943 -2.238 -6.156 1.00 0.00 H new ATOM 0 HD2 PHE A 69 9.831 -1.196 -2.482 1.00 0.00 H new ATOM 0 HE1 PHE A 69 10.048 -3.212 -6.962 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.940 -2.166 -3.287 1.00 0.00 H new ATOM 0 HZ PHE A 69 12.053 -3.172 -5.534 1.00 0.00 H new ATOM 1063 N LYS A 70 6.976 -1.399 -0.806 1.00 0.00 N ATOM 1064 CA LYS A 70 7.432 -1.566 0.569 1.00 0.00 C ATOM 1065 C LYS A 70 6.655 -2.678 1.268 1.00 0.00 C ATOM 1066 O LYS A 70 7.188 -3.371 2.135 1.00 0.00 O ATOM 1067 CB LYS A 70 7.275 -0.255 1.343 1.00 0.00 C ATOM 1068 CG LYS A 70 8.363 0.761 1.044 1.00 0.00 C ATOM 1069 CD LYS A 70 9.726 0.271 1.502 1.00 0.00 C ATOM 1070 CE LYS A 70 10.230 1.062 2.699 1.00 0.00 C ATOM 1071 NZ LYS A 70 11.382 0.391 3.363 1.00 0.00 N ATOM 0 H LYS A 70 6.609 -0.471 -1.018 1.00 0.00 H new ATOM 0 HA LYS A 70 8.486 -1.842 0.545 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.305 0.183 1.106 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.275 -0.471 2.411 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.389 0.963 -0.027 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.129 1.703 1.540 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.665 -0.786 1.763 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.439 0.357 0.682 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.528 2.059 2.376 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.420 1.189 3.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.205 0.329 4.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.498 -0.566 2.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.248 0.941 3.195 1.00 0.00 H new ATOM 1085 N LYS A 71 5.394 -2.843 0.885 1.00 0.00 N ATOM 1086 CA LYS A 71 4.544 -3.872 1.472 1.00 0.00 C ATOM 1087 C LYS A 71 5.082 -5.265 1.162 1.00 0.00 C ATOM 1088 O LYS A 71 5.334 -6.058 2.069 1.00 0.00 O ATOM 1089 CB LYS A 71 3.112 -3.739 0.949 1.00 0.00 C ATOM 1090 CG LYS A 71 2.083 -4.462 1.802 1.00 0.00 C ATOM 1091 CD LYS A 71 0.785 -3.678 1.894 1.00 0.00 C ATOM 1092 CE LYS A 71 -0.189 -4.083 0.798 1.00 0.00 C ATOM 1093 NZ LYS A 71 -1.489 -4.548 1.355 1.00 0.00 N ATOM 0 H LYS A 71 4.937 -2.277 0.170 1.00 0.00 H new ATOM 0 HA LYS A 71 4.544 -3.734 2.553 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.850 -2.682 0.896 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.068 -4.129 -0.068 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.885 -5.447 1.378 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.485 -4.620 2.803 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.327 -3.844 2.869 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.997 -2.611 1.818 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.361 -3.236 0.134 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.252 -4.877 0.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.638 -5.546 1.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.478 -4.450 2.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.261 -3.973 0.961 1.00 0.00 H new ATOM 1107 N GLN A 72 5.258 -5.554 -0.123 1.00 0.00 N ATOM 1108 CA GLN A 72 5.768 -6.851 -0.552 1.00 0.00 C ATOM 1109 C GLN A 72 7.135 -7.129 0.066 1.00 0.00 C ATOM 1110 O GLN A 72 7.524 -8.284 0.241 1.00 0.00 O ATOM 1111 CB GLN A 72 5.863 -6.907 -2.077 1.00 0.00 C ATOM 1112 CG GLN A 72 5.131 -8.091 -2.689 1.00 0.00 C ATOM 1113 CD GLN A 72 5.783 -8.583 -3.966 1.00 0.00 C ATOM 1114 OE1 GLN A 72 5.552 -8.037 -5.046 1.00 0.00 O ATOM 1115 NE2 GLN A 72 6.604 -9.620 -3.850 1.00 0.00 N ATOM 0 H GLN A 72 5.055 -4.908 -0.885 1.00 0.00 H new ATOM 0 HA GLN A 72 5.072 -7.618 -0.211 1.00 0.00 H new ATOM 0 HB2 GLN A 72 5.456 -5.985 -2.492 1.00 0.00 H new ATOM 0 HB3 GLN A 72 6.913 -6.951 -2.366 1.00 0.00 H new ATOM 0 HG2 GLN A 72 5.097 -8.906 -1.966 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.100 -7.807 -2.898 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.767 -10.042 -2.936 1.00 0.00 H new ATOM 0 HE22 GLN A 72 7.072 -9.995 -4.675 1.00 0.00 H new ATOM 1124 N PHE A 73 7.859 -6.064 0.392 1.00 0.00 N ATOM 1125 CA PHE A 73 9.183 -6.194 0.989 1.00 0.00 C ATOM 1126 C PHE A 73 9.087 -6.731 2.414 1.00 0.00 C ATOM 1127 O PHE A 73 9.702 -7.744 2.751 1.00 0.00 O ATOM 1128 CB PHE A 73 9.901 -4.843 0.988 1.00 0.00 C ATOM 1129 CG PHE A 73 11.216 -4.862 1.712 1.00 0.00 C ATOM 1130 CD1 PHE A 73 12.232 -5.715 1.309 1.00 0.00 C ATOM 1131 CD2 PHE A 73 11.438 -4.028 2.796 1.00 0.00 C ATOM 1132 CE1 PHE A 73 13.443 -5.735 1.974 1.00 0.00 C ATOM 1133 CE2 PHE A 73 12.648 -4.044 3.464 1.00 0.00 C ATOM 1134 CZ PHE A 73 13.652 -4.898 3.052 1.00 0.00 C ATOM 0 H PHE A 73 7.552 -5.101 0.253 1.00 0.00 H new ATOM 0 HA PHE A 73 9.756 -6.902 0.391 1.00 0.00 H new ATOM 0 HB2 PHE A 73 10.067 -4.530 -0.043 1.00 0.00 H new ATOM 0 HB3 PHE A 73 9.253 -4.096 1.447 1.00 0.00 H new ATOM 0 HD1 PHE A 73 12.075 -6.371 0.466 1.00 0.00 H new ATOM 0 HD2 PHE A 73 10.657 -3.358 3.123 1.00 0.00 H new ATOM 0 HE1 PHE A 73 14.226 -6.405 1.651 1.00 0.00 H new ATOM 0 HE2 PHE A 73 12.808 -3.389 4.308 1.00 0.00 H new ATOM 0 HZ PHE A 73 14.599 -4.911 3.572 1.00 0.00 H new ATOM 1144 N PHE A 74 8.313 -6.044 3.248 1.00 0.00 N ATOM 1145 CA PHE A 74 8.138 -6.450 4.638 1.00 0.00 C ATOM 1146 C PHE A 74 7.331 -7.742 4.729 1.00 0.00 C ATOM 1147 O PHE A 74 7.515 -8.538 5.651 1.00 0.00 O ATOM 1148 CB PHE A 74 7.439 -5.343 5.430 1.00 0.00 C ATOM 1149 CG PHE A 74 8.293 -4.125 5.638 1.00 0.00 C ATOM 1150 CD1 PHE A 74 9.454 -4.196 6.392 1.00 0.00 C ATOM 1151 CD2 PHE A 74 7.935 -2.908 5.079 1.00 0.00 C ATOM 1152 CE1 PHE A 74 10.242 -3.077 6.584 1.00 0.00 C ATOM 1153 CE2 PHE A 74 8.719 -1.786 5.268 1.00 0.00 C ATOM 1154 CZ PHE A 74 9.873 -1.870 6.023 1.00 0.00 C ATOM 0 H PHE A 74 7.797 -5.204 2.986 1.00 0.00 H new ATOM 0 HA PHE A 74 9.125 -6.627 5.066 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.528 -5.053 4.907 1.00 0.00 H new ATOM 0 HB3 PHE A 74 7.138 -5.736 6.401 1.00 0.00 H new ATOM 0 HD1 PHE A 74 9.746 -5.137 6.835 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.033 -2.836 4.489 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.145 -3.146 7.172 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.430 -0.844 4.826 1.00 0.00 H new ATOM 0 HZ PHE A 74 10.485 -0.993 6.174 1.00 0.00 H new ATOM 1164 N LEU A 75 6.438 -7.945 3.767 1.00 0.00 N ATOM 1165 CA LEU A 75 5.602 -9.140 3.738 1.00 0.00 C ATOM 1166 C LEU A 75 6.458 -10.403 3.751 1.00 0.00 C ATOM 1167 O LEU A 75 6.283 -11.272 4.604 1.00 0.00 O ATOM 1168 CB LEU A 75 4.706 -9.129 2.498 1.00 0.00 C ATOM 1169 CG LEU A 75 3.220 -8.869 2.746 1.00 0.00 C ATOM 1170 CD1 LEU A 75 2.513 -8.529 1.443 1.00 0.00 C ATOM 1171 CD2 LEU A 75 2.571 -10.075 3.408 1.00 0.00 C ATOM 0 H LEU A 75 6.274 -7.297 2.996 1.00 0.00 H new ATOM 0 HA LEU A 75 4.976 -9.138 4.630 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.078 -8.368 1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.807 -10.090 1.993 1.00 0.00 H new ATOM 0 HG LEU A 75 3.127 -8.017 3.419 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.456 -8.347 1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.961 -7.635 1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.615 -9.361 0.746 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.513 -9.872 3.577 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.674 -10.945 2.760 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.059 -10.273 4.362 1.00 0.00 H new ATOM 1183 N GLN A 76 7.382 -10.495 2.800 1.00 0.00 N ATOM 1184 CA GLN A 76 8.266 -11.651 2.704 1.00 0.00 C ATOM 1185 C GLN A 76 9.606 -11.369 3.374 1.00 0.00 C ATOM 1186 O GLN A 76 9.956 -11.994 4.375 1.00 0.00 O ATOM 1187 CB GLN A 76 8.484 -12.031 1.239 1.00 0.00 C ATOM 1188 CG GLN A 76 7.554 -13.130 0.750 1.00 0.00 C ATOM 1189 CD GLN A 76 8.302 -14.312 0.167 1.00 0.00 C ATOM 1190 OE1 GLN A 76 9.208 -14.147 -0.650 1.00 0.00 O ATOM 1191 NE2 GLN A 76 7.927 -15.515 0.585 1.00 0.00 N ATOM 0 H GLN A 76 7.538 -9.784 2.086 1.00 0.00 H new ATOM 0 HA GLN A 76 7.791 -12.484 3.222 1.00 0.00 H new ATOM 0 HB2 GLN A 76 8.345 -11.146 0.618 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.516 -12.354 1.106 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.933 -13.471 1.579 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.882 -12.722 -0.005 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.171 -15.606 1.264 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.395 -16.348 0.228 1.00 0.00 H new ATOM 1200 N LYS A 77 10.354 -10.423 2.815 1.00 0.00 N ATOM 1201 CA LYS A 77 11.657 -10.057 3.357 1.00 0.00 C ATOM 1202 C LYS A 77 12.593 -11.261 3.387 1.00 0.00 C ATOM 1203 O LYS A 77 12.618 -12.015 4.359 1.00 0.00 O ATOM 1204 CB LYS A 77 11.502 -9.484 4.768 1.00 0.00 C ATOM 1205 CG LYS A 77 12.779 -8.877 5.322 1.00 0.00 C ATOM 1206 CD LYS A 77 12.546 -7.472 5.852 1.00 0.00 C ATOM 1207 CE LYS A 77 13.790 -6.918 6.529 1.00 0.00 C ATOM 1208 NZ LYS A 77 13.775 -5.430 6.584 1.00 0.00 N ATOM 0 H LYS A 77 10.079 -9.896 1.986 1.00 0.00 H new ATOM 0 HA LYS A 77 12.092 -9.297 2.707 1.00 0.00 H new ATOM 0 HB2 LYS A 77 10.722 -8.722 4.758 1.00 0.00 H new ATOM 0 HB3 LYS A 77 11.166 -10.276 5.438 1.00 0.00 H new ATOM 0 HG2 LYS A 77 13.166 -9.509 6.122 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.539 -8.851 4.541 1.00 0.00 H new ATOM 0 HD2 LYS A 77 12.254 -6.816 5.032 1.00 0.00 H new ATOM 0 HD3 LYS A 77 11.718 -7.482 6.561 1.00 0.00 H new ATOM 0 HE2 LYS A 77 13.862 -7.318 7.540 1.00 0.00 H new ATOM 0 HE3 LYS A 77 14.676 -7.253 5.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 14.700 -5.085 6.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 13.579 -5.050 5.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 13.035 -5.114 7.243 1.00 0.00 H new ATOM 1222 N GLU A 78 13.361 -11.434 2.316 1.00 0.00 N ATOM 1223 CA GLU A 78 14.298 -12.547 2.221 1.00 0.00 C ATOM 1224 C GLU A 78 15.739 -12.044 2.202 1.00 0.00 C ATOM 1225 O GLU A 78 16.660 -12.751 2.609 1.00 0.00 O ATOM 1226 CB GLU A 78 14.018 -13.373 0.964 1.00 0.00 C ATOM 1227 CG GLU A 78 14.399 -12.667 -0.326 1.00 0.00 C ATOM 1228 CD GLU A 78 13.915 -13.404 -1.560 1.00 0.00 C ATOM 1229 OE1 GLU A 78 13.986 -14.650 -1.573 1.00 0.00 O ATOM 1230 OE2 GLU A 78 13.464 -12.733 -2.512 1.00 0.00 O ATOM 0 H GLU A 78 13.353 -10.818 1.503 1.00 0.00 H new ATOM 0 HA GLU A 78 14.163 -13.179 3.099 1.00 0.00 H new ATOM 0 HB2 GLU A 78 14.565 -14.314 1.028 1.00 0.00 H new ATOM 0 HB3 GLU A 78 12.957 -13.622 0.932 1.00 0.00 H new ATOM 0 HG2 GLU A 78 13.981 -11.660 -0.322 1.00 0.00 H new ATOM 0 HG3 GLU A 78 15.483 -12.562 -0.372 1.00 0.00 H new ATOM 1237 N GLY A 79 15.926 -10.817 1.725 1.00 0.00 N ATOM 1238 CA GLY A 79 17.256 -10.241 1.660 1.00 0.00 C ATOM 1239 C GLY A 79 17.444 -9.106 2.647 1.00 0.00 C ATOM 1240 O GLY A 79 16.848 -8.040 2.500 1.00 0.00 O ATOM 0 H GLY A 79 15.180 -10.212 1.382 1.00 0.00 H new ATOM 0 HA2 GLY A 79 17.995 -11.017 1.858 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.441 -9.875 0.650 1.00 0.00 H new ATOM 1244 N GLY A 80 18.276 -9.335 3.659 1.00 0.00 N ATOM 1245 CA GLY A 80 18.525 -8.315 4.661 1.00 0.00 C ATOM 1246 C GLY A 80 19.400 -8.816 5.793 1.00 0.00 C ATOM 1247 O GLY A 80 20.618 -8.637 5.771 1.00 0.00 O ATOM 0 H GLY A 80 18.782 -10.209 3.803 1.00 0.00 H new ATOM 0 HA2 GLY A 80 19.002 -7.456 4.190 1.00 0.00 H new ATOM 0 HA3 GLY A 80 17.574 -7.969 5.067 1.00 0.00 H new ATOM 1251 N ASP A 81 18.779 -9.442 6.786 1.00 0.00 N ATOM 1252 CA ASP A 81 19.509 -9.969 7.933 1.00 0.00 C ATOM 1253 C ASP A 81 19.353 -11.484 8.027 1.00 0.00 C ATOM 1254 O ASP A 81 18.607 -12.090 7.258 1.00 0.00 O ATOM 1255 CB ASP A 81 19.017 -9.312 9.224 1.00 0.00 C ATOM 1256 CG ASP A 81 19.664 -7.963 9.469 1.00 0.00 C ATOM 1257 OD1 ASP A 81 19.830 -7.199 8.496 1.00 0.00 O ATOM 1258 OD2 ASP A 81 20.004 -7.671 10.635 1.00 0.00 O ATOM 0 H ASP A 81 17.771 -9.597 6.820 1.00 0.00 H new ATOM 0 HA ASP A 81 20.566 -9.738 7.797 1.00 0.00 H new ATOM 0 HB2 ASP A 81 17.935 -9.190 9.177 1.00 0.00 H new ATOM 0 HB3 ASP A 81 19.227 -9.971 10.067 1.00 0.00 H new ATOM 1263 N SER A 82 20.062 -12.089 8.975 1.00 0.00 N ATOM 1264 CA SER A 82 20.006 -13.533 9.166 1.00 0.00 C ATOM 1265 C SER A 82 20.316 -14.266 7.865 1.00 0.00 C ATOM 1266 O SER A 82 19.413 -14.597 7.096 1.00 0.00 O ATOM 1267 CB SER A 82 18.627 -13.947 9.683 1.00 0.00 C ATOM 1268 OG SER A 82 18.631 -15.294 10.123 1.00 0.00 O ATOM 0 H SER A 82 20.682 -11.601 9.622 1.00 0.00 H new ATOM 0 HA SER A 82 20.760 -13.807 9.904 1.00 0.00 H new ATOM 0 HB2 SER A 82 18.332 -13.294 10.504 1.00 0.00 H new ATOM 0 HB3 SER A 82 17.886 -13.821 8.893 1.00 0.00 H new ATOM 0 HG SER A 82 17.739 -15.534 10.450 1.00 0.00 H new ATOM 1274 N MET A 83 21.599 -14.517 7.624 1.00 0.00 N ATOM 1275 CA MET A 83 22.028 -15.212 6.416 1.00 0.00 C ATOM 1276 C MET A 83 21.604 -14.444 5.168 1.00 0.00 C ATOM 1277 O MET A 83 20.967 -13.396 5.260 1.00 0.00 O ATOM 1278 CB MET A 83 21.446 -16.626 6.382 1.00 0.00 C ATOM 1279 CG MET A 83 22.470 -17.712 6.668 1.00 0.00 C ATOM 1280 SD MET A 83 23.066 -17.673 8.370 1.00 0.00 S ATOM 1281 CE MET A 83 22.169 -19.055 9.074 1.00 0.00 C ATOM 0 H MET A 83 22.359 -14.249 8.249 1.00 0.00 H new ATOM 0 HA MET A 83 23.116 -15.275 6.430 1.00 0.00 H new ATOM 0 HB2 MET A 83 20.640 -16.696 7.113 1.00 0.00 H new ATOM 0 HB3 MET A 83 21.003 -16.804 5.402 1.00 0.00 H new ATOM 0 HG2 MET A 83 22.027 -18.687 6.464 1.00 0.00 H new ATOM 0 HG3 MET A 83 23.315 -17.598 5.989 1.00 0.00 H new ATOM 0 HE1 MET A 83 22.431 -19.161 10.127 1.00 0.00 H new ATOM 0 HE2 MET A 83 21.097 -18.877 8.983 1.00 0.00 H new ATOM 0 HE3 MET A 83 22.432 -19.969 8.541 1.00 0.00 H new ATOM 1291 N GLN A 84 21.964 -14.974 4.003 1.00 0.00 N ATOM 1292 CA GLN A 84 21.621 -14.337 2.737 1.00 0.00 C ATOM 1293 C GLN A 84 21.386 -15.379 1.649 1.00 0.00 C ATOM 1294 O GLN A 84 21.347 -16.578 1.923 1.00 0.00 O ATOM 1295 CB GLN A 84 22.732 -13.376 2.308 1.00 0.00 C ATOM 1296 CG GLN A 84 22.226 -11.998 1.915 1.00 0.00 C ATOM 1297 CD GLN A 84 23.272 -11.178 1.186 1.00 0.00 C ATOM 1298 OE1 GLN A 84 24.433 -11.577 1.090 1.00 0.00 O ATOM 1299 NE2 GLN A 84 22.866 -10.025 0.668 1.00 0.00 N ATOM 0 H GLN A 84 22.492 -15.842 3.910 1.00 0.00 H new ATOM 0 HA GLN A 84 20.699 -13.774 2.881 1.00 0.00 H new ATOM 0 HB2 GLN A 84 23.447 -13.272 3.125 1.00 0.00 H new ATOM 0 HB3 GLN A 84 23.271 -13.810 1.466 1.00 0.00 H new ATOM 0 HG2 GLN A 84 21.347 -12.106 1.280 1.00 0.00 H new ATOM 0 HG3 GLN A 84 21.909 -11.463 2.810 1.00 0.00 H new ATOM 0 HE21 GLN A 84 21.894 -9.734 0.772 1.00 0.00 H new ATOM 0 HE22 GLN A 84 23.526 -9.431 0.166 1.00 0.00 H new ATOM 1308 N ALA A 85 21.229 -14.914 0.414 1.00 0.00 N ATOM 1309 CA ALA A 85 20.999 -15.806 -0.715 1.00 0.00 C ATOM 1310 C ALA A 85 22.184 -15.795 -1.674 1.00 0.00 C ATOM 1311 O ALA A 85 22.123 -15.195 -2.747 1.00 0.00 O ATOM 1312 CB ALA A 85 19.723 -15.415 -1.446 1.00 0.00 C ATOM 0 H ALA A 85 21.257 -13.924 0.170 1.00 0.00 H new ATOM 0 HA ALA A 85 20.887 -16.819 -0.328 1.00 0.00 H new ATOM 0 HB1 ALA A 85 19.564 -16.090 -2.287 1.00 0.00 H new ATOM 0 HB2 ALA A 85 18.877 -15.482 -0.762 1.00 0.00 H new ATOM 0 HB3 ALA A 85 19.813 -14.393 -1.813 1.00 0.00 H new ATOM 1318 N VAL A 86 23.265 -16.462 -1.279 1.00 0.00 N ATOM 1319 CA VAL A 86 24.465 -16.529 -2.104 1.00 0.00 C ATOM 1320 C VAL A 86 25.240 -17.816 -1.843 1.00 0.00 C ATOM 1321 O VAL A 86 25.375 -18.250 -0.699 1.00 0.00 O ATOM 1322 CB VAL A 86 25.390 -15.325 -1.848 1.00 0.00 C ATOM 1323 CG1 VAL A 86 25.778 -15.252 -0.379 1.00 0.00 C ATOM 1324 CG2 VAL A 86 26.627 -15.406 -2.730 1.00 0.00 C ATOM 0 H VAL A 86 23.334 -16.963 -0.393 1.00 0.00 H new ATOM 0 HA VAL A 86 24.136 -16.510 -3.143 1.00 0.00 H new ATOM 0 HB VAL A 86 24.849 -14.414 -2.102 1.00 0.00 H new ATOM 0 HG11 VAL A 86 26.432 -14.395 -0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 86 24.880 -15.143 0.229 1.00 0.00 H new ATOM 0 HG13 VAL A 86 26.300 -16.165 -0.095 1.00 0.00 H new ATOM 0 HG21 VAL A 86 27.269 -14.547 -2.536 1.00 0.00 H new ATOM 0 HG22 VAL A 86 27.172 -16.324 -2.509 1.00 0.00 H new ATOM 0 HG23 VAL A 86 26.327 -15.405 -3.778 1.00 0.00 H new ATOM 1334 N SER A 87 25.748 -18.422 -2.911 1.00 0.00 N ATOM 1335 CA SER A 87 26.508 -19.661 -2.798 1.00 0.00 C ATOM 1336 C SER A 87 27.872 -19.526 -3.467 1.00 0.00 C ATOM 1337 O SER A 87 28.907 -19.763 -2.846 1.00 0.00 O ATOM 1338 CB SER A 87 25.731 -20.819 -3.428 1.00 0.00 C ATOM 1339 OG SER A 87 24.353 -20.745 -3.104 1.00 0.00 O ATOM 0 H SER A 87 25.647 -18.075 -3.865 1.00 0.00 H new ATOM 0 HA SER A 87 26.662 -19.868 -1.739 1.00 0.00 H new ATOM 0 HB2 SER A 87 25.855 -20.798 -4.511 1.00 0.00 H new ATOM 0 HB3 SER A 87 26.139 -21.767 -3.079 1.00 0.00 H new ATOM 0 HG SER A 87 23.878 -21.495 -3.520 1.00 0.00 H new ATOM 1345 N ALA A 88 27.864 -19.142 -4.740 1.00 0.00 N ATOM 1346 CA ALA A 88 29.100 -18.972 -5.494 1.00 0.00 C ATOM 1347 C ALA A 88 29.352 -17.502 -5.811 1.00 0.00 C ATOM 1348 O ALA A 88 28.432 -16.685 -5.858 1.00 0.00 O ATOM 1349 CB ALA A 88 29.052 -19.789 -6.776 1.00 0.00 C ATOM 0 H ALA A 88 27.016 -18.943 -5.270 1.00 0.00 H new ATOM 0 HA ALA A 88 29.925 -19.330 -4.878 1.00 0.00 H new ATOM 0 HB1 ALA A 88 29.981 -19.653 -7.329 1.00 0.00 H new ATOM 0 HB2 ALA A 88 28.927 -20.844 -6.531 1.00 0.00 H new ATOM 0 HB3 ALA A 88 28.213 -19.457 -7.388 1.00 0.00 H new ATOM 1355 N PRO A 89 30.628 -17.154 -6.033 1.00 0.00 N ATOM 1356 CA PRO A 89 31.031 -15.780 -6.349 1.00 0.00 C ATOM 1357 C PRO A 89 30.568 -15.345 -7.736 1.00 0.00 C ATOM 1358 O PRO A 89 31.024 -15.877 -8.747 1.00 0.00 O ATOM 1359 CB PRO A 89 32.559 -15.836 -6.289 1.00 0.00 C ATOM 1360 CG PRO A 89 32.898 -17.259 -6.573 1.00 0.00 C ATOM 1361 CD PRO A 89 31.776 -18.075 -5.994 1.00 0.00 C ATOM 0 HA PRO A 89 30.590 -15.058 -5.662 1.00 0.00 H new ATOM 0 HB2 PRO A 89 33.009 -15.168 -7.023 1.00 0.00 H new ATOM 0 HB3 PRO A 89 32.928 -15.529 -5.311 1.00 0.00 H new ATOM 0 HG2 PRO A 89 32.993 -17.431 -7.645 1.00 0.00 H new ATOM 0 HG3 PRO A 89 33.852 -17.531 -6.121 1.00 0.00 H new ATOM 0 HD2 PRO A 89 31.589 -18.975 -6.581 1.00 0.00 H new ATOM 0 HD3 PRO A 89 31.998 -18.398 -4.977 1.00 0.00 H new ATOM 1369 N GLU A 90 29.661 -14.374 -7.774 1.00 0.00 N ATOM 1370 CA GLU A 90 29.137 -13.869 -9.037 1.00 0.00 C ATOM 1371 C GLU A 90 29.237 -12.347 -9.098 1.00 0.00 C ATOM 1372 O GLU A 90 30.040 -11.740 -8.391 1.00 0.00 O ATOM 1373 CB GLU A 90 27.681 -14.303 -9.221 1.00 0.00 C ATOM 1374 CG GLU A 90 27.243 -14.364 -10.675 1.00 0.00 C ATOM 1375 CD GLU A 90 27.003 -15.784 -11.152 1.00 0.00 C ATOM 1376 OE1 GLU A 90 27.993 -16.501 -11.406 1.00 0.00 O ATOM 1377 OE2 GLU A 90 25.823 -16.176 -11.271 1.00 0.00 O ATOM 0 H GLU A 90 29.274 -13.922 -6.945 1.00 0.00 H new ATOM 0 HA GLU A 90 29.738 -14.288 -9.844 1.00 0.00 H new ATOM 0 HB2 GLU A 90 27.543 -15.284 -8.767 1.00 0.00 H new ATOM 0 HB3 GLU A 90 27.033 -13.610 -8.684 1.00 0.00 H new ATOM 0 HG2 GLU A 90 26.329 -13.783 -10.800 1.00 0.00 H new ATOM 0 HG3 GLU A 90 28.005 -13.898 -11.300 1.00 0.00 H new TER 1384 GLU A 90