USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 596 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 6 THR OG1 : rot -17:sc= 0.389 USER MOD Single : A 8 TYR OH : rot 180:sc= -0.631 USER MOD Single : A 9 THR OG1 : rot -136:sc= 0.353 USER MOD Single : A 12 LYS NZ :NH3+ 144:sc= 0.951 (180deg=0.203) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.29 X(o=-0.29,f=-0.024) USER MOD Single : A 46 ASN : amide:sc= -2.22! C(o=-2.2!,f=-0.62!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.548 K(o=-0.55,f=-6.2!) USER MOD Single : A 80 THR OG1 : rot -39:sc= -0.821 USER MOD Single : A 82 LYS NZ :NH3+ -119:sc= 1.03 (180deg=-0.876) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.0409 USER MOD Single : A 94 TYR OH : rot -147:sc= -0.771 USER MOD Single : A 95 THR OG1 : rot -51:sc= 0.978 USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot 180:sc= -2.08 USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 141 TYR OH : rot 180:sc= 0 USER MOD Single : A 163 SER OG : rot 180:sc= 0 USER MOD Single : A 167 SER OG : rot -123:sc= 0.898 USER MOD Single : A 168 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 92 N THR A 6 -6.056 -18.012 -3.685 1.00 0.00 N ATOM 93 CA THR A 6 -6.335 -17.758 -2.273 1.00 0.00 C ATOM 94 C THR A 6 -6.352 -16.261 -1.985 1.00 0.00 C ATOM 95 O THR A 6 -5.909 -15.454 -2.802 1.00 0.00 O ATOM 96 CB THR A 6 -5.289 -18.446 -1.394 1.00 0.00 C ATOM 97 OG1 THR A 6 -4.007 -18.380 -1.992 1.00 0.00 O ATOM 98 CG2 THR A 6 -5.598 -19.903 -1.127 1.00 0.00 C ATOM 0 HA THR A 6 -7.319 -18.166 -2.042 1.00 0.00 H new ATOM 0 HB THR A 6 -5.309 -17.907 -0.447 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.100 -18.159 -2.942 1.00 0.00 H new ATOM 0 HG21 THR A 6 -4.817 -20.331 -0.498 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.559 -19.984 -0.619 1.00 0.00 H new ATOM 0 HG23 THR A 6 -5.641 -20.445 -2.072 1.00 0.00 H new ATOM 106 N TRP A 7 -6.881 -15.898 -0.818 1.00 0.00 N ATOM 107 CA TRP A 7 -6.972 -14.498 -0.419 1.00 0.00 C ATOM 108 C TRP A 7 -6.067 -14.201 0.773 1.00 0.00 C ATOM 109 O TRP A 7 -5.643 -15.109 1.489 1.00 0.00 O ATOM 110 CB TRP A 7 -8.418 -14.140 -0.074 1.00 0.00 C ATOM 111 CG TRP A 7 -8.675 -12.664 -0.046 1.00 0.00 C ATOM 112 CD1 TRP A 7 -8.206 -11.733 -0.928 1.00 0.00 C ATOM 113 CD2 TRP A 7 -9.462 -11.948 0.912 1.00 0.00 C ATOM 114 NE1 TRP A 7 -8.652 -10.482 -0.576 1.00 0.00 N ATOM 115 CE2 TRP A 7 -9.426 -10.588 0.550 1.00 0.00 C ATOM 116 CE3 TRP A 7 -10.194 -12.324 2.042 1.00 0.00 C ATOM 117 CZ2 TRP A 7 -10.094 -9.606 1.277 1.00 0.00 C ATOM 118 CZ3 TRP A 7 -10.857 -11.349 2.763 1.00 0.00 C ATOM 119 CH2 TRP A 7 -10.803 -10.004 2.378 1.00 0.00 C ATOM 0 H TRP A 7 -7.253 -16.556 -0.133 1.00 0.00 H new ATOM 0 HA TRP A 7 -6.639 -13.889 -1.260 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -9.083 -14.603 -0.803 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -8.667 -14.563 0.899 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -7.576 -11.949 -1.778 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -8.441 -9.616 -1.072 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -10.241 -13.359 2.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -10.054 -8.568 0.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -11.426 -11.629 3.637 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -11.332 -9.265 2.962 1.00 0.00 H new ATOM 130 N TYR A 8 -5.770 -12.922 0.972 1.00 0.00 N ATOM 131 CA TYR A 8 -4.912 -12.483 2.067 1.00 0.00 C ATOM 132 C TYR A 8 -5.387 -11.132 2.595 1.00 0.00 C ATOM 133 O TYR A 8 -5.808 -10.271 1.823 1.00 0.00 O ATOM 134 CB TYR A 8 -3.464 -12.369 1.576 1.00 0.00 C ATOM 135 CG TYR A 8 -2.464 -13.148 2.401 1.00 0.00 C ATOM 136 CD1 TYR A 8 -2.442 -13.044 3.786 1.00 0.00 C ATOM 137 CD2 TYR A 8 -1.537 -13.982 1.790 1.00 0.00 C ATOM 138 CE1 TYR A 8 -1.523 -13.751 4.538 1.00 0.00 C ATOM 139 CE2 TYR A 8 -0.615 -14.692 2.536 1.00 0.00 C ATOM 140 CZ TYR A 8 -0.612 -14.574 3.909 1.00 0.00 C ATOM 141 OH TYR A 8 0.304 -15.278 4.655 1.00 0.00 O ATOM 0 H TYR A 8 -6.115 -12.164 0.383 1.00 0.00 H new ATOM 0 HA TYR A 8 -4.962 -13.215 2.873 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -3.414 -12.716 0.544 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -3.175 -11.318 1.574 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -3.154 -12.401 4.283 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -1.536 -14.077 0.714 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -1.518 -13.660 5.614 1.00 0.00 H new ATOM 0 HE2 TYR A 8 0.100 -15.336 2.045 1.00 0.00 H new ATOM 0 HH TYR A 8 0.871 -15.810 4.059 1.00 0.00 H new ATOM 151 N THR A 9 -5.324 -10.949 3.910 1.00 0.00 N ATOM 152 CA THR A 9 -5.760 -9.696 4.522 1.00 0.00 C ATOM 153 C THR A 9 -4.936 -9.373 5.763 1.00 0.00 C ATOM 154 O THR A 9 -4.545 -10.270 6.508 1.00 0.00 O ATOM 155 CB THR A 9 -7.243 -9.771 4.887 1.00 0.00 C ATOM 156 OG1 THR A 9 -7.949 -10.568 3.952 1.00 0.00 O ATOM 157 CG2 THR A 9 -7.917 -8.416 4.937 1.00 0.00 C ATOM 0 H THR A 9 -4.978 -11.646 4.569 1.00 0.00 H new ATOM 0 HA THR A 9 -5.610 -8.899 3.794 1.00 0.00 H new ATOM 0 HB THR A 9 -7.274 -10.210 5.884 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.790 -10.125 3.714 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.967 -8.541 5.201 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.426 -7.793 5.685 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.843 -7.937 3.961 1.00 0.00 H new ATOM 165 N GLY A 10 -4.676 -8.088 5.983 1.00 0.00 N ATOM 166 CA GLY A 10 -3.898 -7.686 7.141 1.00 0.00 C ATOM 167 C GLY A 10 -3.823 -6.183 7.319 1.00 0.00 C ATOM 168 O GLY A 10 -4.668 -5.441 6.818 1.00 0.00 O ATOM 0 H GLY A 10 -4.987 -7.323 5.385 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.335 -8.130 8.036 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.888 -8.085 7.048 1.00 0.00 H new ATOM 172 N ALA A 11 -2.793 -5.738 8.036 1.00 0.00 N ATOM 173 CA ALA A 11 -2.584 -4.319 8.287 1.00 0.00 C ATOM 174 C ALA A 11 -1.126 -3.937 8.049 1.00 0.00 C ATOM 175 O ALA A 11 -0.236 -4.786 8.129 1.00 0.00 O ATOM 176 CB ALA A 11 -3.000 -3.966 9.708 1.00 0.00 C ATOM 0 H ALA A 11 -2.088 -6.346 8.454 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.203 -3.753 7.591 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.838 -2.902 9.881 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.056 -4.200 9.847 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.405 -4.543 10.415 1.00 0.00 H new ATOM 182 N LYS A 12 -0.880 -2.666 7.746 1.00 0.00 N ATOM 183 CA LYS A 12 0.480 -2.205 7.489 1.00 0.00 C ATOM 184 C LYS A 12 0.748 -0.840 8.116 1.00 0.00 C ATOM 185 O LYS A 12 -0.164 -0.033 8.299 1.00 0.00 O ATOM 186 CB LYS A 12 0.737 -2.140 5.982 1.00 0.00 C ATOM 187 CG LYS A 12 0.634 -3.490 5.289 1.00 0.00 C ATOM 188 CD LYS A 12 1.962 -3.908 4.676 1.00 0.00 C ATOM 189 CE LYS A 12 2.402 -2.941 3.589 1.00 0.00 C ATOM 190 NZ LYS A 12 1.947 -3.378 2.239 1.00 0.00 N ATOM 0 H LYS A 12 -1.596 -1.944 7.673 1.00 0.00 H new ATOM 0 HA LYS A 12 1.160 -2.922 7.948 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.022 -1.453 5.529 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.731 -1.727 5.809 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.311 -4.244 6.006 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -0.128 -3.443 4.511 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.724 -3.954 5.454 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.872 -4.911 4.258 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.004 -1.949 3.803 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.489 -2.857 3.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.698 -2.544 1.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.712 -3.903 1.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.114 -3.993 2.336 1.00 0.00 H new ATOM 204 N LEU A 13 2.017 -0.592 8.425 1.00 0.00 N ATOM 205 CA LEU A 13 2.445 0.672 9.014 1.00 0.00 C ATOM 206 C LEU A 13 3.868 0.988 8.564 1.00 0.00 C ATOM 207 O LEU A 13 4.757 0.143 8.675 1.00 0.00 O ATOM 208 CB LEU A 13 2.377 0.604 10.542 1.00 0.00 C ATOM 209 CG LEU A 13 1.059 0.076 11.108 1.00 0.00 C ATOM 210 CD1 LEU A 13 1.067 -1.445 11.152 1.00 0.00 C ATOM 211 CD2 LEU A 13 0.807 0.649 12.495 1.00 0.00 C ATOM 0 H LEU A 13 2.775 -1.258 8.275 1.00 0.00 H new ATOM 0 HA LEU A 13 1.776 1.464 8.677 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.188 -0.031 10.899 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.553 1.602 10.943 1.00 0.00 H new ATOM 0 HG LEU A 13 0.250 0.396 10.451 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.121 -1.802 11.558 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.201 -1.837 10.144 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.885 -1.786 11.786 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.136 0.262 12.883 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.619 0.359 13.161 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.756 1.736 12.436 1.00 0.00 H new ATOM 556 N ALA A 37 -0.096 4.618 8.530 1.00 0.00 N ATOM 557 CA ALA A 37 -0.473 3.211 8.555 1.00 0.00 C ATOM 558 C ALA A 37 -1.803 2.990 7.845 1.00 0.00 C ATOM 559 O ALA A 37 -2.387 3.925 7.294 1.00 0.00 O ATOM 560 CB ALA A 37 -0.550 2.711 9.991 1.00 0.00 C ATOM 0 HA ALA A 37 0.292 2.644 8.025 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.833 1.658 9.995 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.422 2.827 10.469 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.295 3.289 10.538 1.00 0.00 H new ATOM 566 N GLY A 38 -2.279 1.750 7.860 1.00 0.00 N ATOM 567 CA GLY A 38 -3.540 1.441 7.213 1.00 0.00 C ATOM 568 C GLY A 38 -3.815 -0.047 7.116 1.00 0.00 C ATOM 569 O GLY A 38 -3.236 -0.846 7.852 1.00 0.00 O ATOM 0 H GLY A 38 -1.817 0.957 8.306 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.350 1.918 7.765 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.541 1.870 6.211 1.00 0.00 H new ATOM 573 N ALA A 39 -4.704 -0.412 6.198 1.00 0.00 N ATOM 574 CA ALA A 39 -5.064 -1.810 5.995 1.00 0.00 C ATOM 575 C ALA A 39 -4.623 -2.291 4.618 1.00 0.00 C ATOM 576 O ALA A 39 -4.529 -1.501 3.677 1.00 0.00 O ATOM 577 CB ALA A 39 -6.563 -2.000 6.168 1.00 0.00 C ATOM 0 H ALA A 39 -5.188 0.242 5.583 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.546 -2.408 6.745 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.817 -3.049 6.013 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.854 -1.701 7.175 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.094 -1.387 5.440 1.00 0.00 H new ATOM 583 N PHE A 40 -4.346 -3.585 4.502 1.00 0.00 N ATOM 584 CA PHE A 40 -3.905 -4.152 3.234 1.00 0.00 C ATOM 585 C PHE A 40 -4.308 -5.617 3.101 1.00 0.00 C ATOM 586 O PHE A 40 -4.405 -6.341 4.092 1.00 0.00 O ATOM 587 CB PHE A 40 -2.386 -4.023 3.098 1.00 0.00 C ATOM 588 CG PHE A 40 -1.921 -2.624 2.810 1.00 0.00 C ATOM 589 CD1 PHE A 40 -1.800 -1.696 3.833 1.00 0.00 C ATOM 590 CD2 PHE A 40 -1.604 -2.237 1.519 1.00 0.00 C ATOM 591 CE1 PHE A 40 -1.371 -0.408 3.572 1.00 0.00 C ATOM 592 CE2 PHE A 40 -1.175 -0.950 1.252 1.00 0.00 C ATOM 593 CZ PHE A 40 -1.058 -0.035 2.279 1.00 0.00 C ATOM 0 H PHE A 40 -4.418 -4.257 5.266 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.394 -3.592 2.437 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.917 -4.370 4.019 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.045 -4.681 2.299 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.044 -1.983 4.845 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.693 -2.948 0.711 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.281 0.306 4.378 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.932 -0.661 0.240 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.722 0.970 2.072 1.00 0.00 H new ATOM 603 N GLY A 41 -4.532 -6.041 1.863 1.00 0.00 N ATOM 604 CA GLY A 41 -4.914 -7.413 1.592 1.00 0.00 C ATOM 605 C GLY A 41 -4.711 -7.761 0.130 1.00 0.00 C ATOM 606 O GLY A 41 -4.685 -6.871 -0.719 1.00 0.00 O ATOM 0 H GLY A 41 -4.455 -5.451 1.034 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -4.325 -8.087 2.214 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.959 -7.562 1.862 1.00 0.00 H new ATOM 610 N GLY A 42 -4.558 -9.045 -0.173 1.00 0.00 N ATOM 611 CA GLY A 42 -4.350 -9.440 -1.554 1.00 0.00 C ATOM 612 C GLY A 42 -4.732 -10.876 -1.842 1.00 0.00 C ATOM 613 O GLY A 42 -4.716 -11.728 -0.956 1.00 0.00 O ATOM 0 H GLY A 42 -4.574 -9.810 0.502 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.930 -8.783 -2.202 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.300 -9.295 -1.810 1.00 0.00 H new ATOM 617 N TYR A 43 -5.063 -11.138 -3.101 1.00 0.00 N ATOM 618 CA TYR A 43 -5.442 -12.475 -3.541 1.00 0.00 C ATOM 619 C TYR A 43 -4.326 -13.086 -4.379 1.00 0.00 C ATOM 620 O TYR A 43 -3.787 -12.434 -5.273 1.00 0.00 O ATOM 621 CB TYR A 43 -6.738 -12.416 -4.355 1.00 0.00 C ATOM 622 CG TYR A 43 -7.449 -13.746 -4.471 1.00 0.00 C ATOM 623 CD1 TYR A 43 -8.279 -14.202 -3.455 1.00 0.00 C ATOM 624 CD2 TYR A 43 -7.292 -14.542 -5.598 1.00 0.00 C ATOM 625 CE1 TYR A 43 -8.934 -15.414 -3.558 1.00 0.00 C ATOM 626 CE2 TYR A 43 -7.945 -15.755 -5.709 1.00 0.00 C ATOM 627 CZ TYR A 43 -8.764 -16.186 -4.687 1.00 0.00 C ATOM 628 OH TYR A 43 -9.415 -17.393 -4.796 1.00 0.00 O ATOM 0 H TYR A 43 -5.076 -10.436 -3.840 1.00 0.00 H new ATOM 0 HA TYR A 43 -5.607 -13.100 -2.663 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -7.412 -11.694 -3.895 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -6.511 -12.048 -5.355 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -8.415 -13.599 -2.569 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -6.650 -14.208 -6.400 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -9.575 -15.754 -2.759 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.814 -16.363 -6.592 1.00 0.00 H new ATOM 0 HH TYR A 43 -9.188 -17.811 -5.653 1.00 0.00 H new ATOM 638 N GLN A 44 -3.983 -14.338 -4.097 1.00 0.00 N ATOM 639 CA GLN A 44 -2.932 -15.022 -4.838 1.00 0.00 C ATOM 640 C GLN A 44 -3.532 -15.870 -5.953 1.00 0.00 C ATOM 641 O GLN A 44 -4.406 -16.706 -5.710 1.00 0.00 O ATOM 642 CB GLN A 44 -2.105 -15.901 -3.900 1.00 0.00 C ATOM 643 CG GLN A 44 -0.996 -15.149 -3.182 1.00 0.00 C ATOM 644 CD GLN A 44 -0.662 -15.752 -1.831 1.00 0.00 C ATOM 645 OE1 GLN A 44 0.488 -16.100 -1.561 1.00 0.00 O ATOM 646 NE2 GLN A 44 -1.669 -15.879 -0.975 1.00 0.00 N ATOM 0 H GLN A 44 -4.416 -14.898 -3.363 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.280 -14.270 -5.282 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.766 -16.350 -3.159 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.667 -16.718 -4.473 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.102 -15.146 -3.805 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.295 -14.109 -3.048 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.606 -15.577 -1.242 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.505 -16.279 -0.051 1.00 0.00 H new ATOM 655 N VAL A 45 -3.056 -15.648 -7.177 1.00 0.00 N ATOM 656 CA VAL A 45 -3.542 -16.389 -8.334 1.00 0.00 C ATOM 657 C VAL A 45 -2.650 -17.588 -8.625 1.00 0.00 C ATOM 658 O VAL A 45 -3.123 -18.650 -9.028 1.00 0.00 O ATOM 659 CB VAL A 45 -3.610 -15.495 -9.587 1.00 0.00 C ATOM 660 CG1 VAL A 45 -4.262 -16.240 -10.741 1.00 0.00 C ATOM 661 CG2 VAL A 45 -4.357 -14.205 -9.285 1.00 0.00 C ATOM 0 H VAL A 45 -2.334 -14.960 -7.391 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.547 -16.735 -8.092 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.593 -15.237 -9.881 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.301 -15.592 -11.617 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.679 -17.131 -10.974 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.274 -16.532 -10.460 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.394 -13.587 -10.182 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.372 -14.439 -8.963 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.841 -13.663 -8.493 1.00 0.00 H new ATOM 671 N ASN A 46 -1.350 -17.403 -8.413 1.00 0.00 N ATOM 672 CA ASN A 46 -0.363 -18.448 -8.642 1.00 0.00 C ATOM 673 C ASN A 46 0.885 -18.172 -7.800 1.00 0.00 C ATOM 674 O ASN A 46 0.978 -17.129 -7.152 1.00 0.00 O ATOM 675 CB ASN A 46 -0.009 -18.523 -10.128 1.00 0.00 C ATOM 676 CG ASN A 46 -0.513 -19.796 -10.780 1.00 0.00 C ATOM 677 OD1 ASN A 46 -1.668 -20.185 -10.598 1.00 0.00 O ATOM 678 ND2 ASN A 46 0.351 -20.454 -11.545 1.00 0.00 N ATOM 0 H ASN A 46 -0.954 -16.525 -8.078 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.780 -19.409 -8.343 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.434 -17.662 -10.644 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.073 -18.463 -10.244 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.067 -21.317 -12.009 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.298 -20.096 -11.669 1.00 0.00 H new ATOM 685 N PRO A 47 1.854 -19.102 -7.775 1.00 0.00 N ATOM 686 CA PRO A 47 3.079 -18.936 -6.981 1.00 0.00 C ATOM 687 C PRO A 47 3.934 -17.745 -7.418 1.00 0.00 C ATOM 688 O PRO A 47 4.839 -17.333 -6.694 1.00 0.00 O ATOM 689 CB PRO A 47 3.840 -20.247 -7.202 1.00 0.00 C ATOM 690 CG PRO A 47 3.271 -20.825 -8.451 1.00 0.00 C ATOM 691 CD PRO A 47 1.835 -20.390 -8.492 1.00 0.00 C ATOM 0 HA PRO A 47 2.840 -18.731 -5.937 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.910 -20.068 -7.303 1.00 0.00 H new ATOM 0 HB3 PRO A 47 3.708 -20.925 -6.359 1.00 0.00 H new ATOM 0 HG2 PRO A 47 3.812 -20.468 -9.328 1.00 0.00 H new ATOM 0 HG3 PRO A 47 3.349 -21.912 -8.449 1.00 0.00 H new ATOM 0 HD2 PRO A 47 1.478 -20.276 -9.515 1.00 0.00 H new ATOM 0 HD3 PRO A 47 1.181 -21.113 -8.004 1.00 0.00 H new ATOM 699 N TYR A 48 3.669 -17.207 -8.608 1.00 0.00 N ATOM 700 CA TYR A 48 4.459 -16.084 -9.113 1.00 0.00 C ATOM 701 C TYR A 48 3.599 -14.891 -9.538 1.00 0.00 C ATOM 702 O TYR A 48 4.137 -13.847 -9.906 1.00 0.00 O ATOM 703 CB TYR A 48 5.317 -16.541 -10.294 1.00 0.00 C ATOM 704 CG TYR A 48 6.328 -17.607 -9.934 1.00 0.00 C ATOM 705 CD1 TYR A 48 7.499 -17.283 -9.261 1.00 0.00 C ATOM 706 CD2 TYR A 48 6.110 -18.938 -10.268 1.00 0.00 C ATOM 707 CE1 TYR A 48 8.425 -18.255 -8.931 1.00 0.00 C ATOM 708 CE2 TYR A 48 7.031 -19.915 -9.942 1.00 0.00 C ATOM 709 CZ TYR A 48 8.186 -19.569 -9.273 1.00 0.00 C ATOM 710 OH TYR A 48 9.104 -20.539 -8.947 1.00 0.00 O ATOM 0 H TYR A 48 2.926 -17.524 -9.232 1.00 0.00 H new ATOM 0 HA TYR A 48 5.091 -15.749 -8.290 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.665 -16.922 -11.080 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.842 -15.679 -10.706 1.00 0.00 H new ATOM 0 HD1 TYR A 48 7.689 -16.255 -8.991 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.206 -19.213 -10.791 1.00 0.00 H new ATOM 0 HE1 TYR A 48 9.331 -17.986 -8.408 1.00 0.00 H new ATOM 0 HE2 TYR A 48 6.847 -20.945 -10.210 1.00 0.00 H new ATOM 0 HH TYR A 48 8.783 -21.411 -9.258 1.00 0.00 H new ATOM 720 N VAL A 49 2.278 -15.031 -9.500 1.00 0.00 N ATOM 721 CA VAL A 49 1.404 -13.931 -9.900 1.00 0.00 C ATOM 722 C VAL A 49 0.199 -13.795 -8.976 1.00 0.00 C ATOM 723 O VAL A 49 -0.630 -14.700 -8.881 1.00 0.00 O ATOM 724 CB VAL A 49 0.909 -14.104 -11.349 1.00 0.00 C ATOM 725 CG1 VAL A 49 2.039 -13.849 -12.334 1.00 0.00 C ATOM 726 CG2 VAL A 49 0.319 -15.490 -11.548 1.00 0.00 C ATOM 0 H VAL A 49 1.795 -15.878 -9.202 1.00 0.00 H new ATOM 0 HA VAL A 49 2.004 -13.024 -9.829 1.00 0.00 H new ATOM 0 HB VAL A 49 0.125 -13.371 -11.536 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.670 -13.976 -13.352 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.410 -12.832 -12.207 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.848 -14.556 -12.151 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.025 -15.595 -12.577 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.080 -16.242 -11.342 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.522 -15.629 -10.868 1.00 0.00 H new ATOM 736 N GLY A 50 0.106 -12.654 -8.300 1.00 0.00 N ATOM 737 CA GLY A 50 -1.002 -12.412 -7.397 1.00 0.00 C ATOM 738 C GLY A 50 -1.487 -10.975 -7.450 1.00 0.00 C ATOM 739 O GLY A 50 -0.955 -10.163 -8.207 1.00 0.00 O ATOM 0 H GLY A 50 0.781 -11.892 -8.363 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.825 -13.080 -7.649 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.697 -12.652 -6.379 1.00 0.00 H new ATOM 743 N PHE A 51 -2.493 -10.661 -6.644 1.00 0.00 N ATOM 744 CA PHE A 51 -3.046 -9.312 -6.597 1.00 0.00 C ATOM 745 C PHE A 51 -3.112 -8.814 -5.157 1.00 0.00 C ATOM 746 O PHE A 51 -3.269 -9.604 -4.227 1.00 0.00 O ATOM 747 CB PHE A 51 -4.441 -9.286 -7.229 1.00 0.00 C ATOM 748 CG PHE A 51 -4.488 -8.572 -8.550 1.00 0.00 C ATOM 749 CD1 PHE A 51 -3.839 -9.096 -9.657 1.00 0.00 C ATOM 750 CD2 PHE A 51 -5.179 -7.379 -8.684 1.00 0.00 C ATOM 751 CE1 PHE A 51 -3.880 -8.441 -10.873 1.00 0.00 C ATOM 752 CE2 PHE A 51 -5.223 -6.720 -9.898 1.00 0.00 C ATOM 753 CZ PHE A 51 -4.573 -7.252 -10.994 1.00 0.00 C ATOM 0 H PHE A 51 -2.944 -11.323 -6.012 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.392 -8.651 -7.165 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.788 -10.310 -7.366 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.134 -8.804 -6.540 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.296 -10.025 -9.568 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.689 -6.959 -7.830 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.370 -8.859 -11.729 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.765 -5.790 -9.989 1.00 0.00 H new ATOM 0 HZ PHE A 51 -4.606 -6.740 -11.944 1.00 0.00 H new ATOM 763 N GLU A 52 -2.982 -7.503 -4.974 1.00 0.00 N ATOM 764 CA GLU A 52 -3.021 -6.924 -3.636 1.00 0.00 C ATOM 765 C GLU A 52 -3.594 -5.509 -3.652 1.00 0.00 C ATOM 766 O GLU A 52 -3.257 -4.698 -4.515 1.00 0.00 O ATOM 767 CB GLU A 52 -1.617 -6.911 -3.028 1.00 0.00 C ATOM 768 CG GLU A 52 -1.581 -7.337 -1.569 1.00 0.00 C ATOM 769 CD GLU A 52 -0.382 -6.781 -0.828 1.00 0.00 C ATOM 770 OE1 GLU A 52 -0.460 -5.628 -0.351 1.00 0.00 O ATOM 771 OE2 GLU A 52 0.636 -7.496 -0.723 1.00 0.00 O ATOM 0 H GLU A 52 -2.850 -6.828 -5.727 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.677 -7.544 -3.025 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.973 -7.573 -3.607 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.202 -5.907 -3.115 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.494 -7.005 -1.075 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.565 -8.425 -1.513 1.00 0.00 H new ATOM 778 N MET A 53 -4.455 -5.225 -2.682 1.00 0.00 N ATOM 779 CA MET A 53 -5.076 -3.912 -2.559 1.00 0.00 C ATOM 780 C MET A 53 -4.893 -3.373 -1.144 1.00 0.00 C ATOM 781 O MET A 53 -4.689 -4.143 -0.204 1.00 0.00 O ATOM 782 CB MET A 53 -6.565 -3.993 -2.901 1.00 0.00 C ATOM 783 CG MET A 53 -6.854 -4.747 -4.188 1.00 0.00 C ATOM 784 SD MET A 53 -7.277 -6.477 -3.899 1.00 0.00 S ATOM 785 CE MET A 53 -8.570 -6.716 -5.114 1.00 0.00 C ATOM 0 H MET A 53 -4.740 -5.892 -1.965 1.00 0.00 H new ATOM 0 HA MET A 53 -4.592 -3.232 -3.261 1.00 0.00 H new ATOM 0 HB2 MET A 53 -7.092 -4.478 -2.079 1.00 0.00 H new ATOM 0 HB3 MET A 53 -6.966 -2.983 -2.984 1.00 0.00 H new ATOM 0 HG2 MET A 53 -7.675 -4.259 -4.714 1.00 0.00 H new ATOM 0 HG3 MET A 53 -5.982 -4.694 -4.839 1.00 0.00 H new ATOM 0 HE1 MET A 53 -8.936 -7.741 -5.059 1.00 0.00 H new ATOM 0 HE2 MET A 53 -9.390 -6.027 -4.913 1.00 0.00 H new ATOM 0 HE3 MET A 53 -8.172 -6.525 -6.111 1.00 0.00 H new ATOM 795 N GLY A 54 -4.961 -2.055 -0.989 1.00 0.00 N ATOM 796 CA GLY A 54 -4.791 -1.466 0.327 1.00 0.00 C ATOM 797 C GLY A 54 -5.378 -0.072 0.438 1.00 0.00 C ATOM 798 O GLY A 54 -5.558 0.620 -0.565 1.00 0.00 O ATOM 0 H GLY A 54 -5.129 -1.389 -1.743 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.260 -2.111 1.070 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.728 -1.426 0.565 1.00 0.00 H new ATOM 802 N TYR A 55 -5.677 0.333 1.667 1.00 0.00 N ATOM 803 CA TYR A 55 -6.249 1.649 1.926 1.00 0.00 C ATOM 804 C TYR A 55 -5.620 2.280 3.164 1.00 0.00 C ATOM 805 O TYR A 55 -5.349 1.598 4.152 1.00 0.00 O ATOM 806 CB TYR A 55 -7.764 1.541 2.109 1.00 0.00 C ATOM 807 CG TYR A 55 -8.444 2.870 2.351 1.00 0.00 C ATOM 808 CD1 TYR A 55 -8.318 3.523 3.571 1.00 0.00 C ATOM 809 CD2 TYR A 55 -9.209 3.471 1.361 1.00 0.00 C ATOM 810 CE1 TYR A 55 -8.938 4.738 3.796 1.00 0.00 C ATOM 811 CE2 TYR A 55 -9.832 4.686 1.578 1.00 0.00 C ATOM 812 CZ TYR A 55 -9.693 5.315 2.796 1.00 0.00 C ATOM 813 OH TYR A 55 -10.311 6.524 3.017 1.00 0.00 O ATOM 0 H TYR A 55 -5.532 -0.234 2.503 1.00 0.00 H new ATOM 0 HA TYR A 55 -6.038 2.286 1.067 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.196 1.078 1.222 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -7.973 0.878 2.948 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.727 3.074 4.356 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.319 2.981 0.405 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.832 5.233 4.750 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.424 5.140 0.797 1.00 0.00 H new ATOM 0 HH TYR A 55 -10.802 6.792 2.212 1.00 0.00 H new ATOM 1136 N VAL A 77 -8.503 4.779 -2.259 1.00 0.00 N ATOM 1137 CA VAL A 77 -8.139 3.369 -2.205 1.00 0.00 C ATOM 1138 C VAL A 77 -6.986 3.067 -3.155 1.00 0.00 C ATOM 1139 O VAL A 77 -6.735 3.818 -4.098 1.00 0.00 O ATOM 1140 CB VAL A 77 -9.335 2.463 -2.561 1.00 0.00 C ATOM 1141 CG1 VAL A 77 -8.984 1.000 -2.336 1.00 0.00 C ATOM 1142 CG2 VAL A 77 -10.563 2.854 -1.753 1.00 0.00 C ATOM 0 HA VAL A 77 -7.830 3.160 -1.181 1.00 0.00 H new ATOM 0 HB VAL A 77 -9.566 2.599 -3.618 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -9.841 0.377 -2.593 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -8.136 0.728 -2.965 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -8.723 0.845 -1.289 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -11.396 2.203 -2.019 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -10.347 2.751 -0.690 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -10.828 3.889 -1.971 1.00 0.00 H new ATOM 1152 N GLN A 78 -6.286 1.966 -2.905 1.00 0.00 N ATOM 1153 CA GLN A 78 -5.159 1.573 -3.744 1.00 0.00 C ATOM 1154 C GLN A 78 -5.302 0.127 -4.210 1.00 0.00 C ATOM 1155 O GLN A 78 -5.609 -0.767 -3.420 1.00 0.00 O ATOM 1156 CB GLN A 78 -3.845 1.746 -2.981 1.00 0.00 C ATOM 1157 CG GLN A 78 -2.612 1.444 -3.818 1.00 0.00 C ATOM 1158 CD GLN A 78 -1.557 0.677 -3.046 1.00 0.00 C ATOM 1159 OE1 GLN A 78 -1.795 -0.442 -2.590 1.00 0.00 O ATOM 1160 NE2 GLN A 78 -0.381 1.278 -2.893 1.00 0.00 N ATOM 0 H GLN A 78 -6.478 1.331 -2.130 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.151 2.219 -4.622 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.781 2.769 -2.611 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.852 1.092 -2.109 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.905 0.868 -4.696 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.184 2.379 -4.179 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -0.227 2.206 -3.288 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.368 0.811 -2.381 1.00 0.00 H new ATOM 1169 N LEU A 79 -5.062 -0.090 -5.499 1.00 0.00 N ATOM 1170 CA LEU A 79 -5.144 -1.422 -6.087 1.00 0.00 C ATOM 1171 C LEU A 79 -3.872 -1.721 -6.869 1.00 0.00 C ATOM 1172 O LEU A 79 -3.430 -0.904 -7.676 1.00 0.00 O ATOM 1173 CB LEU A 79 -6.364 -1.529 -7.005 1.00 0.00 C ATOM 1174 CG LEU A 79 -7.660 -0.953 -6.431 1.00 0.00 C ATOM 1175 CD1 LEU A 79 -8.533 -0.392 -7.541 1.00 0.00 C ATOM 1176 CD2 LEU A 79 -8.411 -2.017 -5.644 1.00 0.00 C ATOM 0 H LEU A 79 -4.808 0.644 -6.160 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.251 -2.153 -5.285 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.141 -1.018 -7.941 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.527 -2.579 -7.246 1.00 0.00 H new ATOM 0 HG LEU A 79 -7.405 -0.139 -5.753 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.450 0.013 -7.113 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.995 0.400 -8.062 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.781 -1.186 -8.245 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.330 -1.591 -5.242 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -8.655 -2.852 -6.301 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.787 -2.371 -4.824 1.00 0.00 H new ATOM 1188 N THR A 80 -3.273 -2.881 -6.619 1.00 0.00 N ATOM 1189 CA THR A 80 -2.039 -3.247 -7.306 1.00 0.00 C ATOM 1190 C THR A 80 -1.891 -4.759 -7.448 1.00 0.00 C ATOM 1191 O THR A 80 -2.669 -5.536 -6.893 1.00 0.00 O ATOM 1192 CB THR A 80 -0.828 -2.684 -6.553 1.00 0.00 C ATOM 1193 OG1 THR A 80 -0.452 -3.545 -5.492 1.00 0.00 O ATOM 1194 CG2 THR A 80 -1.064 -1.309 -5.961 1.00 0.00 C ATOM 0 H THR A 80 -3.616 -3.575 -5.955 1.00 0.00 H new ATOM 0 HA THR A 80 -2.086 -2.818 -8.307 1.00 0.00 H new ATOM 0 HB THR A 80 -0.041 -2.606 -7.303 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.256 -3.899 -5.057 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.164 -0.976 -5.444 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.305 -0.606 -6.758 1.00 0.00 H new ATOM 0 HG23 THR A 80 -1.893 -1.354 -5.254 1.00 0.00 H new ATOM 1202 N ALA A 81 -0.861 -5.153 -8.190 1.00 0.00 N ATOM 1203 CA ALA A 81 -0.556 -6.561 -8.416 1.00 0.00 C ATOM 1204 C ALA A 81 0.708 -6.948 -7.660 1.00 0.00 C ATOM 1205 O ALA A 81 1.643 -6.152 -7.561 1.00 0.00 O ATOM 1206 CB ALA A 81 -0.396 -6.838 -9.903 1.00 0.00 C ATOM 0 H ALA A 81 -0.217 -4.509 -8.649 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.384 -7.165 -8.044 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -0.169 -7.893 -10.054 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -1.322 -6.588 -10.421 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.417 -6.231 -10.301 1.00 0.00 H new ATOM 1212 N LYS A 82 0.739 -8.160 -7.119 1.00 0.00 N ATOM 1213 CA LYS A 82 1.897 -8.625 -6.364 1.00 0.00 C ATOM 1214 C LYS A 82 2.667 -9.698 -7.127 1.00 0.00 C ATOM 1215 O LYS A 82 2.099 -10.709 -7.542 1.00 0.00 O ATOM 1216 CB LYS A 82 1.457 -9.170 -5.004 1.00 0.00 C ATOM 1217 CG LYS A 82 2.618 -9.540 -4.094 1.00 0.00 C ATOM 1218 CD LYS A 82 2.140 -10.288 -2.859 1.00 0.00 C ATOM 1219 CE LYS A 82 3.193 -11.263 -2.357 1.00 0.00 C ATOM 1220 NZ LYS A 82 2.687 -12.095 -1.231 1.00 0.00 N ATOM 0 H LYS A 82 -0.021 -8.837 -7.188 1.00 0.00 H new ATOM 0 HA LYS A 82 2.560 -7.773 -6.216 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.838 -8.424 -4.505 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.832 -10.050 -5.159 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.329 -10.158 -4.642 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.147 -8.636 -3.792 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.898 -9.575 -2.071 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.223 -10.829 -3.092 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.507 -11.911 -3.175 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.074 -10.710 -2.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 3.266 -11.923 -0.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 1.698 -11.843 -1.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.743 -13.101 -1.490 1.00 0.00 H new ATOM 1234 N LEU A 83 3.965 -9.473 -7.300 1.00 0.00 N ATOM 1235 CA LEU A 83 4.827 -10.417 -8.002 1.00 0.00 C ATOM 1236 C LEU A 83 6.063 -10.727 -7.164 1.00 0.00 C ATOM 1237 O LEU A 83 6.908 -9.859 -6.943 1.00 0.00 O ATOM 1238 CB LEU A 83 5.243 -9.850 -9.362 1.00 0.00 C ATOM 1239 CG LEU A 83 4.248 -10.095 -10.497 1.00 0.00 C ATOM 1240 CD1 LEU A 83 3.224 -8.972 -10.558 1.00 0.00 C ATOM 1241 CD2 LEU A 83 4.978 -10.226 -11.825 1.00 0.00 C ATOM 0 H LEU A 83 4.446 -8.640 -6.961 1.00 0.00 H new ATOM 0 HA LEU A 83 4.270 -11.340 -8.164 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.396 -8.776 -9.259 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.203 -10.284 -9.641 1.00 0.00 H new ATOM 0 HG LEU A 83 3.722 -11.029 -10.300 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.524 -9.162 -11.371 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.680 -8.924 -9.615 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.733 -8.024 -10.732 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.255 -10.400 -12.622 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.529 -9.308 -12.029 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.674 -11.064 -11.777 1.00 0.00 H new ATOM 1253 N GLY A 84 6.155 -11.964 -6.687 1.00 0.00 N ATOM 1254 CA GLY A 84 7.289 -12.348 -5.866 1.00 0.00 C ATOM 1255 C GLY A 84 7.872 -13.697 -6.235 1.00 0.00 C ATOM 1256 O GLY A 84 7.294 -14.439 -7.029 1.00 0.00 O ATOM 0 H GLY A 84 5.471 -12.702 -6.852 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.066 -11.589 -5.955 1.00 0.00 H new ATOM 0 HA3 GLY A 84 6.981 -12.368 -4.821 1.00 0.00 H new ATOM 1260 N TYR A 85 9.021 -14.010 -5.645 1.00 0.00 N ATOM 1261 CA TYR A 85 9.696 -15.276 -5.899 1.00 0.00 C ATOM 1262 C TYR A 85 9.939 -16.026 -4.589 1.00 0.00 C ATOM 1263 O TYR A 85 10.299 -15.422 -3.577 1.00 0.00 O ATOM 1264 CB TYR A 85 11.024 -15.036 -6.619 1.00 0.00 C ATOM 1265 CG TYR A 85 10.927 -15.153 -8.124 1.00 0.00 C ATOM 1266 CD1 TYR A 85 9.969 -14.443 -8.835 1.00 0.00 C ATOM 1267 CD2 TYR A 85 11.794 -15.976 -8.833 1.00 0.00 C ATOM 1268 CE1 TYR A 85 9.876 -14.548 -10.209 1.00 0.00 C ATOM 1269 CE2 TYR A 85 11.708 -16.086 -10.208 1.00 0.00 C ATOM 1270 CZ TYR A 85 10.747 -15.370 -10.891 1.00 0.00 C ATOM 1271 OH TYR A 85 10.659 -15.476 -12.260 1.00 0.00 O ATOM 0 H TYR A 85 9.505 -13.401 -4.985 1.00 0.00 H new ATOM 0 HA TYR A 85 9.055 -15.885 -6.536 1.00 0.00 H new ATOM 0 HB2 TYR A 85 11.392 -14.042 -6.363 1.00 0.00 H new ATOM 0 HB3 TYR A 85 11.760 -15.752 -6.254 1.00 0.00 H new ATOM 0 HD1 TYR A 85 9.285 -13.797 -8.305 1.00 0.00 H new ATOM 0 HD2 TYR A 85 12.547 -16.539 -8.301 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.124 -13.989 -10.746 1.00 0.00 H new ATOM 0 HE2 TYR A 85 12.390 -16.729 -10.745 1.00 0.00 H new ATOM 0 HH TYR A 85 11.346 -16.095 -12.585 1.00 0.00 H new ATOM 1281 N PRO A 86 9.737 -17.356 -4.589 1.00 0.00 N ATOM 1282 CA PRO A 86 9.928 -18.183 -3.401 1.00 0.00 C ATOM 1283 C PRO A 86 11.377 -18.627 -3.219 1.00 0.00 C ATOM 1284 O PRO A 86 11.828 -19.582 -3.852 1.00 0.00 O ATOM 1285 CB PRO A 86 9.035 -19.385 -3.691 1.00 0.00 C ATOM 1286 CG PRO A 86 9.091 -19.542 -5.172 1.00 0.00 C ATOM 1287 CD PRO A 86 9.296 -18.160 -5.746 1.00 0.00 C ATOM 0 HA PRO A 86 9.686 -17.650 -2.481 1.00 0.00 H new ATOM 0 HB2 PRO A 86 9.396 -20.279 -3.183 1.00 0.00 H new ATOM 0 HB3 PRO A 86 8.015 -19.213 -3.348 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.906 -20.206 -5.461 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.170 -19.985 -5.550 1.00 0.00 H new ATOM 0 HD2 PRO A 86 10.044 -18.164 -6.538 1.00 0.00 H new ATOM 0 HD3 PRO A 86 8.376 -17.767 -6.178 1.00 0.00 H new ATOM 1295 N ILE A 87 12.097 -17.938 -2.341 1.00 0.00 N ATOM 1296 CA ILE A 87 13.490 -18.273 -2.067 1.00 0.00 C ATOM 1297 C ILE A 87 13.571 -19.448 -1.102 1.00 0.00 C ATOM 1298 O ILE A 87 14.462 -20.292 -1.200 1.00 0.00 O ATOM 1299 CB ILE A 87 14.260 -17.078 -1.470 1.00 0.00 C ATOM 1300 CG1 ILE A 87 13.866 -15.776 -2.173 1.00 0.00 C ATOM 1301 CG2 ILE A 87 15.760 -17.311 -1.575 1.00 0.00 C ATOM 1302 CD1 ILE A 87 13.063 -14.839 -1.297 1.00 0.00 C ATOM 0 H ILE A 87 11.740 -17.145 -1.807 1.00 0.00 H new ATOM 0 HA ILE A 87 13.950 -18.539 -3.019 1.00 0.00 H new ATOM 0 HB ILE A 87 13.996 -16.988 -0.416 1.00 0.00 H new ATOM 0 HG12 ILE A 87 14.769 -15.265 -2.507 1.00 0.00 H new ATOM 0 HG13 ILE A 87 13.286 -16.014 -3.065 1.00 0.00 H new ATOM 0 HG21 ILE A 87 16.291 -16.459 -1.150 1.00 0.00 H new ATOM 0 HG22 ILE A 87 16.027 -18.215 -1.028 1.00 0.00 H new ATOM 0 HG23 ILE A 87 16.038 -17.426 -2.623 1.00 0.00 H new ATOM 0 HD11 ILE A 87 12.818 -13.937 -1.858 1.00 0.00 H new ATOM 0 HD12 ILE A 87 12.143 -15.333 -0.984 1.00 0.00 H new ATOM 0 HD13 ILE A 87 13.649 -14.571 -0.418 1.00 0.00 H new ATOM 1314 N THR A 88 12.623 -19.494 -0.174 1.00 0.00 N ATOM 1315 CA THR A 88 12.562 -20.563 0.816 1.00 0.00 C ATOM 1316 C THR A 88 11.113 -20.839 1.203 1.00 0.00 C ATOM 1317 O THR A 88 10.225 -20.038 0.909 1.00 0.00 O ATOM 1318 CB THR A 88 13.379 -20.189 2.053 1.00 0.00 C ATOM 1319 OG1 THR A 88 14.691 -19.799 1.690 1.00 0.00 O ATOM 1320 CG2 THR A 88 13.500 -21.318 3.055 1.00 0.00 C ATOM 0 H THR A 88 11.882 -18.799 -0.086 1.00 0.00 H new ATOM 0 HA THR A 88 12.987 -21.467 0.380 1.00 0.00 H new ATOM 0 HB THR A 88 12.836 -19.366 2.518 1.00 0.00 H new ATOM 0 HG1 THR A 88 15.197 -19.562 2.495 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.092 -20.986 3.908 1.00 0.00 H new ATOM 0 HG22 THR A 88 12.507 -21.611 3.394 1.00 0.00 H new ATOM 0 HG23 THR A 88 13.989 -22.171 2.585 1.00 0.00 H new ATOM 1328 N ASP A 89 10.869 -21.973 1.849 1.00 0.00 N ATOM 1329 CA ASP A 89 9.517 -22.340 2.254 1.00 0.00 C ATOM 1330 C ASP A 89 8.920 -21.313 3.213 1.00 0.00 C ATOM 1331 O ASP A 89 7.699 -21.194 3.319 1.00 0.00 O ATOM 1332 CB ASP A 89 9.520 -23.721 2.911 1.00 0.00 C ATOM 1333 CG ASP A 89 8.258 -24.507 2.610 1.00 0.00 C ATOM 1334 OD1 ASP A 89 7.162 -24.031 2.973 1.00 0.00 O ATOM 1335 OD2 ASP A 89 8.367 -25.597 2.010 1.00 0.00 O ATOM 0 H ASP A 89 11.586 -22.652 2.103 1.00 0.00 H new ATOM 0 HA ASP A 89 8.898 -22.365 1.357 1.00 0.00 H new ATOM 0 HB2 ASP A 89 10.387 -24.284 2.564 1.00 0.00 H new ATOM 0 HB3 ASP A 89 9.625 -23.607 3.990 1.00 0.00 H new ATOM 1340 N ASP A 90 9.777 -20.585 3.922 1.00 0.00 N ATOM 1341 CA ASP A 90 9.309 -19.589 4.882 1.00 0.00 C ATOM 1342 C ASP A 90 9.657 -18.168 4.447 1.00 0.00 C ATOM 1343 O ASP A 90 8.911 -17.230 4.726 1.00 0.00 O ATOM 1344 CB ASP A 90 9.906 -19.867 6.262 1.00 0.00 C ATOM 1345 CG ASP A 90 9.738 -21.314 6.684 1.00 0.00 C ATOM 1346 OD1 ASP A 90 8.632 -21.676 7.137 1.00 0.00 O ATOM 1347 OD2 ASP A 90 10.713 -22.085 6.562 1.00 0.00 O ATOM 0 H ASP A 90 10.792 -20.664 3.852 1.00 0.00 H new ATOM 0 HA ASP A 90 8.223 -19.667 4.928 1.00 0.00 H new ATOM 0 HB2 ASP A 90 10.966 -19.615 6.254 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.430 -19.219 6.998 1.00 0.00 H new ATOM 1352 N LEU A 91 10.795 -18.004 3.782 1.00 0.00 N ATOM 1353 CA LEU A 91 11.229 -16.682 3.340 1.00 0.00 C ATOM 1354 C LEU A 91 10.985 -16.475 1.846 1.00 0.00 C ATOM 1355 O LEU A 91 11.459 -17.249 1.015 1.00 0.00 O ATOM 1356 CB LEU A 91 12.712 -16.482 3.655 1.00 0.00 C ATOM 1357 CG LEU A 91 13.249 -15.077 3.377 1.00 0.00 C ATOM 1358 CD1 LEU A 91 13.061 -14.184 4.595 1.00 0.00 C ATOM 1359 CD2 LEU A 91 14.716 -15.136 2.980 1.00 0.00 C ATOM 0 H LEU A 91 11.431 -18.764 3.538 1.00 0.00 H new ATOM 0 HA LEU A 91 10.637 -15.944 3.881 1.00 0.00 H new ATOM 0 HB2 LEU A 91 12.879 -16.717 4.706 1.00 0.00 H new ATOM 0 HB3 LEU A 91 13.291 -17.198 3.072 1.00 0.00 H new ATOM 0 HG LEU A 91 12.685 -14.651 2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 91 13.449 -13.188 4.379 1.00 0.00 H new ATOM 0 HD12 LEU A 91 12.000 -14.116 4.836 1.00 0.00 H new ATOM 0 HD13 LEU A 91 13.599 -14.607 5.443 1.00 0.00 H new ATOM 0 HD21 LEU A 91 15.081 -14.128 2.786 1.00 0.00 H new ATOM 0 HD22 LEU A 91 15.294 -15.582 3.789 1.00 0.00 H new ATOM 0 HD23 LEU A 91 14.825 -15.741 2.080 1.00 0.00 H new ATOM 1371 N ASP A 92 10.240 -15.423 1.519 1.00 0.00 N ATOM 1372 CA ASP A 92 9.929 -15.110 0.128 1.00 0.00 C ATOM 1373 C ASP A 92 10.132 -13.626 -0.165 1.00 0.00 C ATOM 1374 O ASP A 92 10.151 -12.797 0.745 1.00 0.00 O ATOM 1375 CB ASP A 92 8.488 -15.510 -0.195 1.00 0.00 C ATOM 1376 CG ASP A 92 8.243 -16.994 -0.002 1.00 0.00 C ATOM 1377 OD1 ASP A 92 9.216 -17.772 -0.089 1.00 0.00 O ATOM 1378 OD2 ASP A 92 7.079 -17.378 0.235 1.00 0.00 O ATOM 0 H ASP A 92 9.841 -14.774 2.197 1.00 0.00 H new ATOM 0 HA ASP A 92 10.612 -15.679 -0.503 1.00 0.00 H new ATOM 0 HB2 ASP A 92 7.806 -14.946 0.441 1.00 0.00 H new ATOM 0 HB3 ASP A 92 8.261 -15.238 -1.226 1.00 0.00 H new ATOM 1383 N ILE A 93 10.266 -13.301 -1.448 1.00 0.00 N ATOM 1384 CA ILE A 93 10.447 -11.919 -1.879 1.00 0.00 C ATOM 1385 C ILE A 93 9.317 -11.514 -2.818 1.00 0.00 C ATOM 1386 O ILE A 93 8.848 -12.328 -3.614 1.00 0.00 O ATOM 1387 CB ILE A 93 11.797 -11.717 -2.596 1.00 0.00 C ATOM 1388 CG1 ILE A 93 11.943 -12.711 -3.751 1.00 0.00 C ATOM 1389 CG2 ILE A 93 12.947 -11.863 -1.611 1.00 0.00 C ATOM 1390 CD1 ILE A 93 12.152 -12.049 -5.095 1.00 0.00 C ATOM 0 H ILE A 93 10.252 -13.979 -2.210 1.00 0.00 H new ATOM 0 HA ILE A 93 10.436 -11.294 -0.986 1.00 0.00 H new ATOM 0 HB ILE A 93 11.825 -10.708 -3.008 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.785 -13.373 -3.546 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.051 -13.335 -3.797 1.00 0.00 H new ATOM 0 HG21 ILE A 93 13.893 -11.718 -2.132 1.00 0.00 H new ATOM 0 HG22 ILE A 93 12.848 -11.116 -0.823 1.00 0.00 H new ATOM 0 HG23 ILE A 93 12.925 -12.860 -1.171 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.247 -12.813 -5.866 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.299 -11.409 -5.322 1.00 0.00 H new ATOM 0 HD13 ILE A 93 13.060 -11.447 -5.067 1.00 0.00 H new ATOM 1402 N TYR A 94 8.863 -10.267 -2.717 1.00 0.00 N ATOM 1403 CA TYR A 94 7.769 -9.809 -3.564 1.00 0.00 C ATOM 1404 C TYR A 94 7.880 -8.331 -3.929 1.00 0.00 C ATOM 1405 O TYR A 94 8.607 -7.562 -3.298 1.00 0.00 O ATOM 1406 CB TYR A 94 6.429 -10.069 -2.872 1.00 0.00 C ATOM 1407 CG TYR A 94 6.200 -9.211 -1.645 1.00 0.00 C ATOM 1408 CD1 TYR A 94 6.620 -9.636 -0.391 1.00 0.00 C ATOM 1409 CD2 TYR A 94 5.566 -7.980 -1.744 1.00 0.00 C ATOM 1410 CE1 TYR A 94 6.413 -8.856 0.732 1.00 0.00 C ATOM 1411 CE2 TYR A 94 5.356 -7.194 -0.626 1.00 0.00 C ATOM 1412 CZ TYR A 94 5.782 -7.637 0.608 1.00 0.00 C ATOM 1413 OH TYR A 94 5.575 -6.857 1.723 1.00 0.00 O ATOM 0 H TYR A 94 9.228 -9.569 -2.070 1.00 0.00 H new ATOM 0 HA TYR A 94 7.830 -10.375 -4.493 1.00 0.00 H new ATOM 0 HB2 TYR A 94 5.622 -9.892 -3.584 1.00 0.00 H new ATOM 0 HB3 TYR A 94 6.376 -11.119 -2.585 1.00 0.00 H new ATOM 0 HD1 TYR A 94 7.116 -10.590 -0.292 1.00 0.00 H new ATOM 0 HD2 TYR A 94 5.231 -7.631 -2.710 1.00 0.00 H new ATOM 0 HE1 TYR A 94 6.744 -9.200 1.701 1.00 0.00 H new ATOM 0 HE2 TYR A 94 4.861 -6.239 -0.719 1.00 0.00 H new ATOM 0 HH TYR A 94 4.736 -6.361 1.624 1.00 0.00 H new ATOM 1423 N THR A 95 7.121 -7.960 -4.955 1.00 0.00 N ATOM 1424 CA THR A 95 7.068 -6.588 -5.447 1.00 0.00 C ATOM 1425 C THR A 95 5.632 -6.241 -5.823 1.00 0.00 C ATOM 1426 O THR A 95 4.922 -7.071 -6.392 1.00 0.00 O ATOM 1427 CB THR A 95 7.989 -6.415 -6.657 1.00 0.00 C ATOM 1428 OG1 THR A 95 7.711 -7.394 -7.642 1.00 0.00 O ATOM 1429 CG2 THR A 95 9.458 -6.517 -6.310 1.00 0.00 C ATOM 0 H THR A 95 6.523 -8.605 -5.471 1.00 0.00 H new ATOM 0 HA THR A 95 7.409 -5.914 -4.661 1.00 0.00 H new ATOM 0 HB THR A 95 7.790 -5.411 -7.031 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.717 -8.283 -7.230 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.055 -6.385 -7.212 1.00 0.00 H new ATOM 0 HG22 THR A 95 9.716 -5.742 -5.588 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.663 -7.497 -5.879 1.00 0.00 H new ATOM 1437 N ARG A 96 5.195 -5.028 -5.506 1.00 0.00 N ATOM 1438 CA ARG A 96 3.833 -4.608 -5.821 1.00 0.00 C ATOM 1439 C ARG A 96 3.834 -3.444 -6.808 1.00 0.00 C ATOM 1440 O ARG A 96 4.599 -2.492 -6.661 1.00 0.00 O ATOM 1441 CB ARG A 96 3.099 -4.205 -4.539 1.00 0.00 C ATOM 1442 CG ARG A 96 2.019 -5.188 -4.119 1.00 0.00 C ATOM 1443 CD ARG A 96 1.833 -5.200 -2.610 1.00 0.00 C ATOM 1444 NE ARG A 96 0.787 -4.272 -2.179 1.00 0.00 N ATOM 1445 CZ ARG A 96 0.994 -2.982 -1.926 1.00 0.00 C ATOM 1446 NH1 ARG A 96 2.206 -2.454 -2.058 1.00 0.00 N ATOM 1447 NH2 ARG A 96 -0.015 -2.214 -1.538 1.00 0.00 N ATOM 0 H ARG A 96 5.759 -4.321 -5.034 1.00 0.00 H new ATOM 0 HA ARG A 96 3.316 -5.448 -6.284 1.00 0.00 H new ATOM 0 HB2 ARG A 96 3.824 -4.108 -3.731 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.648 -3.223 -4.682 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.078 -4.924 -4.601 1.00 0.00 H new ATOM 0 HG3 ARG A 96 2.283 -6.188 -4.462 1.00 0.00 H new ATOM 0 HD2 ARG A 96 1.579 -6.209 -2.284 1.00 0.00 H new ATOM 0 HD3 ARG A 96 2.774 -4.936 -2.127 1.00 0.00 H new ATOM 0 HE ARG A 96 -0.159 -4.636 -2.065 1.00 0.00 H new ATOM 0 HH11 ARG A 96 2.987 -3.038 -2.355 1.00 0.00 H new ATOM 0 HH12 ARG A 96 2.355 -1.464 -1.862 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -0.948 -2.612 -1.434 1.00 0.00 H new ATOM 0 HH22 ARG A 96 0.142 -1.225 -1.344 1.00 0.00 H new ATOM 1461 N LEU A 97 2.970 -3.532 -7.814 1.00 0.00 N ATOM 1462 CA LEU A 97 2.865 -2.492 -8.831 1.00 0.00 C ATOM 1463 C LEU A 97 1.408 -2.250 -9.211 1.00 0.00 C ATOM 1464 O LEU A 97 0.728 -3.148 -9.710 1.00 0.00 O ATOM 1465 CB LEU A 97 3.672 -2.878 -10.071 1.00 0.00 C ATOM 1466 CG LEU A 97 4.342 -1.710 -10.797 1.00 0.00 C ATOM 1467 CD1 LEU A 97 5.647 -2.157 -11.436 1.00 0.00 C ATOM 1468 CD2 LEU A 97 3.405 -1.128 -11.845 1.00 0.00 C ATOM 0 H LEU A 97 2.331 -4.315 -7.947 1.00 0.00 H new ATOM 0 HA LEU A 97 3.271 -1.570 -8.416 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.441 -3.593 -9.777 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.012 -3.390 -10.771 1.00 0.00 H new ATOM 0 HG LEU A 97 4.567 -0.933 -10.067 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.109 -1.313 -11.948 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.322 -2.527 -10.664 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.447 -2.952 -12.155 1.00 0.00 H new ATOM 0 HD21 LEU A 97 3.897 -0.298 -12.352 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.150 -1.898 -12.573 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.496 -0.770 -11.362 1.00 0.00 H new ATOM 1480 N GLY A 98 0.934 -1.032 -8.971 1.00 0.00 N ATOM 1481 CA GLY A 98 -0.439 -0.691 -9.292 1.00 0.00 C ATOM 1482 C GLY A 98 -0.681 0.804 -9.266 1.00 0.00 C ATOM 1483 O GLY A 98 0.185 1.591 -9.651 1.00 0.00 O ATOM 0 H GLY A 98 1.478 -0.274 -8.559 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.686 -1.080 -10.280 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.107 -1.177 -8.582 1.00 0.00 H new ATOM 1487 N GLY A 99 -1.870 1.195 -8.817 1.00 0.00 N ATOM 1488 CA GLY A 99 -2.212 2.603 -8.756 1.00 0.00 C ATOM 1489 C GLY A 99 -3.184 2.934 -7.640 1.00 0.00 C ATOM 1490 O GLY A 99 -3.999 2.101 -7.240 1.00 0.00 O ATOM 0 H GLY A 99 -2.602 0.562 -8.495 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -1.301 3.186 -8.620 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.646 2.906 -9.709 1.00 0.00 H new ATOM 1494 N MET A 100 -3.090 4.162 -7.139 1.00 0.00 N ATOM 1495 CA MET A 100 -3.957 4.622 -6.061 1.00 0.00 C ATOM 1496 C MET A 100 -5.064 5.522 -6.601 1.00 0.00 C ATOM 1497 O MET A 100 -4.800 6.480 -7.327 1.00 0.00 O ATOM 1498 CB MET A 100 -3.143 5.371 -5.006 1.00 0.00 C ATOM 1499 CG MET A 100 -2.292 6.493 -5.577 1.00 0.00 C ATOM 1500 SD MET A 100 -2.202 7.924 -4.483 1.00 0.00 S ATOM 1501 CE MET A 100 -1.444 9.132 -5.566 1.00 0.00 C ATOM 0 H MET A 100 -2.419 4.858 -7.464 1.00 0.00 H new ATOM 0 HA MET A 100 -4.416 3.748 -5.600 1.00 0.00 H new ATOM 0 HB2 MET A 100 -3.823 5.785 -4.261 1.00 0.00 H new ATOM 0 HB3 MET A 100 -2.496 4.663 -4.488 1.00 0.00 H new ATOM 0 HG2 MET A 100 -1.285 6.120 -5.765 1.00 0.00 H new ATOM 0 HG3 MET A 100 -2.702 6.801 -6.539 1.00 0.00 H new ATOM 0 HE1 MET A 100 -1.322 10.074 -5.031 1.00 0.00 H new ATOM 0 HE2 MET A 100 -0.468 8.769 -5.890 1.00 0.00 H new ATOM 0 HE3 MET A 100 -2.080 9.289 -6.437 1.00 0.00 H new ATOM 1842 N PHE A 123 4.811 1.622 -7.139 1.00 0.00 N ATOM 1843 CA PHE A 123 5.595 0.393 -7.077 1.00 0.00 C ATOM 1844 C PHE A 123 6.005 0.081 -5.641 1.00 0.00 C ATOM 1845 O PHE A 123 5.964 0.950 -4.770 1.00 0.00 O ATOM 1846 CB PHE A 123 6.838 0.509 -7.961 1.00 0.00 C ATOM 1847 CG PHE A 123 7.571 1.810 -7.800 1.00 0.00 C ATOM 1848 CD1 PHE A 123 7.083 2.970 -8.379 1.00 0.00 C ATOM 1849 CD2 PHE A 123 8.748 1.872 -7.071 1.00 0.00 C ATOM 1850 CE1 PHE A 123 7.756 4.169 -8.233 1.00 0.00 C ATOM 1851 CE2 PHE A 123 9.425 3.067 -6.922 1.00 0.00 C ATOM 1852 CZ PHE A 123 8.928 4.218 -7.505 1.00 0.00 C ATOM 0 HA PHE A 123 4.973 -0.423 -7.444 1.00 0.00 H new ATOM 0 HB2 PHE A 123 7.517 -0.312 -7.729 1.00 0.00 H new ATOM 0 HB3 PHE A 123 6.544 0.394 -9.004 1.00 0.00 H new ATOM 0 HD1 PHE A 123 6.167 2.938 -8.950 1.00 0.00 H new ATOM 0 HD2 PHE A 123 9.141 0.976 -6.614 1.00 0.00 H new ATOM 0 HE1 PHE A 123 7.365 5.067 -8.688 1.00 0.00 H new ATOM 0 HE2 PHE A 123 10.341 3.102 -6.351 1.00 0.00 H new ATOM 0 HZ PHE A 123 9.456 5.153 -7.391 1.00 0.00 H new ATOM 1862 N ALA A 124 6.398 -1.166 -5.401 1.00 0.00 N ATOM 1863 CA ALA A 124 6.814 -1.592 -4.070 1.00 0.00 C ATOM 1864 C ALA A 124 7.737 -2.805 -4.142 1.00 0.00 C ATOM 1865 O ALA A 124 7.641 -3.615 -5.064 1.00 0.00 O ATOM 1866 CB ALA A 124 5.597 -1.905 -3.212 1.00 0.00 C ATOM 0 H ALA A 124 6.437 -1.898 -6.110 1.00 0.00 H new ATOM 0 HA ALA A 124 7.369 -0.773 -3.612 1.00 0.00 H new ATOM 0 HB1 ALA A 124 5.922 -2.222 -2.221 1.00 0.00 H new ATOM 0 HB2 ALA A 124 4.976 -1.014 -3.122 1.00 0.00 H new ATOM 0 HB3 ALA A 124 5.020 -2.704 -3.677 1.00 0.00 H new ATOM 1872 N GLY A 125 8.627 -2.923 -3.162 1.00 0.00 N ATOM 1873 CA GLY A 125 9.553 -4.041 -3.126 1.00 0.00 C ATOM 1874 C GLY A 125 9.891 -4.457 -1.708 1.00 0.00 C ATOM 1875 O GLY A 125 10.082 -3.607 -0.840 1.00 0.00 O ATOM 0 H GLY A 125 8.724 -2.263 -2.390 1.00 0.00 H new ATOM 0 HA2 GLY A 125 9.119 -4.888 -3.658 1.00 0.00 H new ATOM 0 HA3 GLY A 125 10.469 -3.770 -3.652 1.00 0.00 H new ATOM 1879 N GLY A 126 9.967 -5.762 -1.466 1.00 0.00 N ATOM 1880 CA GLY A 126 10.288 -6.235 -0.132 1.00 0.00 C ATOM 1881 C GLY A 126 10.296 -7.746 -0.019 1.00 0.00 C ATOM 1882 O GLY A 126 10.480 -8.453 -1.010 1.00 0.00 O ATOM 0 H GLY A 126 9.814 -6.493 -2.161 1.00 0.00 H new ATOM 0 HA2 GLY A 126 11.266 -5.851 0.157 1.00 0.00 H new ATOM 0 HA3 GLY A 126 9.564 -5.828 0.574 1.00 0.00 H new ATOM 1886 N VAL A 127 10.099 -8.238 1.200 1.00 0.00 N ATOM 1887 CA VAL A 127 10.085 -9.672 1.453 1.00 0.00 C ATOM 1888 C VAL A 127 8.979 -10.050 2.431 1.00 0.00 C ATOM 1889 O VAL A 127 8.623 -9.276 3.321 1.00 0.00 O ATOM 1890 CB VAL A 127 11.436 -10.157 2.012 1.00 0.00 C ATOM 1891 CG1 VAL A 127 12.538 -9.978 0.980 1.00 0.00 C ATOM 1892 CG2 VAL A 127 11.776 -9.420 3.299 1.00 0.00 C ATOM 0 H VAL A 127 9.947 -7.663 2.028 1.00 0.00 H new ATOM 0 HA VAL A 127 9.900 -10.158 0.495 1.00 0.00 H new ATOM 0 HB VAL A 127 11.353 -11.220 2.239 1.00 0.00 H new ATOM 0 HG11 VAL A 127 13.484 -10.326 1.394 1.00 0.00 H new ATOM 0 HG12 VAL A 127 12.298 -10.556 0.087 1.00 0.00 H new ATOM 0 HG13 VAL A 127 12.623 -8.923 0.718 1.00 0.00 H new ATOM 0 HG21 VAL A 127 12.734 -9.775 3.680 1.00 0.00 H new ATOM 0 HG22 VAL A 127 11.839 -8.350 3.100 1.00 0.00 H new ATOM 0 HG23 VAL A 127 10.999 -9.606 4.041 1.00 0.00 H new ATOM 1902 N GLU A 128 8.441 -11.252 2.253 1.00 0.00 N ATOM 1903 CA GLU A 128 7.376 -11.754 3.112 1.00 0.00 C ATOM 1904 C GLU A 128 7.765 -13.095 3.726 1.00 0.00 C ATOM 1905 O GLU A 128 8.237 -13.996 3.030 1.00 0.00 O ATOM 1906 CB GLU A 128 6.077 -11.900 2.314 1.00 0.00 C ATOM 1907 CG GLU A 128 4.933 -12.507 3.112 1.00 0.00 C ATOM 1908 CD GLU A 128 3.593 -12.356 2.420 1.00 0.00 C ATOM 1909 OE1 GLU A 128 3.545 -12.510 1.181 1.00 0.00 O ATOM 1910 OE2 GLU A 128 2.593 -12.083 3.115 1.00 0.00 O ATOM 0 H GLU A 128 8.727 -11.899 1.518 1.00 0.00 H new ATOM 0 HA GLU A 128 7.219 -11.037 3.918 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.773 -10.919 1.949 1.00 0.00 H new ATOM 0 HB3 GLU A 128 6.267 -12.521 1.438 1.00 0.00 H new ATOM 0 HG2 GLU A 128 5.134 -13.565 3.280 1.00 0.00 H new ATOM 0 HG3 GLU A 128 4.887 -12.032 4.092 1.00 0.00 H new ATOM 1917 N TYR A 129 7.574 -13.214 5.035 1.00 0.00 N ATOM 1918 CA TYR A 129 7.912 -14.440 5.746 1.00 0.00 C ATOM 1919 C TYR A 129 6.735 -14.939 6.577 1.00 0.00 C ATOM 1920 O TYR A 129 5.941 -14.148 7.087 1.00 0.00 O ATOM 1921 CB TYR A 129 9.126 -14.210 6.650 1.00 0.00 C ATOM 1922 CG TYR A 129 9.575 -15.450 7.390 1.00 0.00 C ATOM 1923 CD1 TYR A 129 8.984 -15.816 8.593 1.00 0.00 C ATOM 1924 CD2 TYR A 129 10.590 -16.254 6.887 1.00 0.00 C ATOM 1925 CE1 TYR A 129 9.392 -16.948 9.273 1.00 0.00 C ATOM 1926 CE2 TYR A 129 11.003 -17.388 7.560 1.00 0.00 C ATOM 1927 CZ TYR A 129 10.401 -17.731 8.752 1.00 0.00 C ATOM 1928 OH TYR A 129 10.809 -18.858 9.427 1.00 0.00 O ATOM 0 H TYR A 129 7.187 -12.477 5.624 1.00 0.00 H new ATOM 0 HA TYR A 129 8.154 -15.201 5.004 1.00 0.00 H new ATOM 0 HB2 TYR A 129 9.953 -13.839 6.045 1.00 0.00 H new ATOM 0 HB3 TYR A 129 8.886 -13.432 7.375 1.00 0.00 H new ATOM 0 HD1 TYR A 129 8.193 -15.206 9.003 1.00 0.00 H new ATOM 0 HD2 TYR A 129 11.064 -15.988 5.954 1.00 0.00 H new ATOM 0 HE1 TYR A 129 8.923 -17.218 10.208 1.00 0.00 H new ATOM 0 HE2 TYR A 129 11.793 -18.002 7.154 1.00 0.00 H new ATOM 0 HH TYR A 129 11.527 -19.298 8.926 1.00 0.00 H new ATOM 1938 N ALA A 130 6.633 -16.257 6.711 1.00 0.00 N ATOM 1939 CA ALA A 130 5.558 -16.868 7.483 1.00 0.00 C ATOM 1940 C ALA A 130 6.052 -17.289 8.863 1.00 0.00 C ATOM 1941 O ALA A 130 6.923 -18.151 8.983 1.00 0.00 O ATOM 1942 CB ALA A 130 4.985 -18.063 6.736 1.00 0.00 C ATOM 0 H ALA A 130 7.283 -16.923 6.294 1.00 0.00 H new ATOM 0 HA ALA A 130 4.769 -16.128 7.616 1.00 0.00 H new ATOM 0 HB1 ALA A 130 4.183 -18.509 7.324 1.00 0.00 H new ATOM 0 HB2 ALA A 130 4.590 -17.736 5.774 1.00 0.00 H new ATOM 0 HB3 ALA A 130 5.770 -18.801 6.574 1.00 0.00 H new ATOM 1948 N ILE A 131 5.485 -16.685 9.901 1.00 0.00 N ATOM 1949 CA ILE A 131 5.865 -17.008 11.271 1.00 0.00 C ATOM 1950 C ILE A 131 5.008 -18.146 11.813 1.00 0.00 C ATOM 1951 O ILE A 131 5.471 -18.970 12.600 1.00 0.00 O ATOM 1952 CB ILE A 131 5.729 -15.787 12.201 1.00 0.00 C ATOM 1953 CG1 ILE A 131 4.322 -15.197 12.103 1.00 0.00 C ATOM 1954 CG2 ILE A 131 6.775 -14.737 11.853 1.00 0.00 C ATOM 1955 CD1 ILE A 131 4.020 -14.173 13.176 1.00 0.00 C ATOM 0 H ILE A 131 4.762 -15.970 9.820 1.00 0.00 H new ATOM 0 HA ILE A 131 6.911 -17.315 11.249 1.00 0.00 H new ATOM 0 HB ILE A 131 5.895 -16.112 13.228 1.00 0.00 H new ATOM 0 HG12 ILE A 131 4.199 -14.733 11.124 1.00 0.00 H new ATOM 0 HG13 ILE A 131 3.593 -16.005 12.167 1.00 0.00 H new ATOM 0 HG21 ILE A 131 6.666 -13.881 12.518 1.00 0.00 H new ATOM 0 HG22 ILE A 131 7.771 -15.163 11.970 1.00 0.00 H new ATOM 0 HG23 ILE A 131 6.637 -14.414 10.821 1.00 0.00 H new ATOM 0 HD11 ILE A 131 3.005 -13.797 13.045 1.00 0.00 H new ATOM 0 HD12 ILE A 131 4.111 -14.637 14.158 1.00 0.00 H new ATOM 0 HD13 ILE A 131 4.726 -13.346 13.099 1.00 0.00 H new ATOM 1967 N THR A 132 3.753 -18.183 11.377 1.00 0.00 N ATOM 1968 CA THR A 132 2.819 -19.217 11.807 1.00 0.00 C ATOM 1969 C THR A 132 1.835 -19.549 10.687 1.00 0.00 C ATOM 1970 O THR A 132 1.838 -18.906 9.637 1.00 0.00 O ATOM 1971 CB THR A 132 2.066 -18.770 13.064 1.00 0.00 C ATOM 1972 OG1 THR A 132 2.521 -17.500 13.499 1.00 0.00 O ATOM 1973 CG2 THR A 132 2.217 -19.730 14.225 1.00 0.00 C ATOM 0 H THR A 132 3.358 -17.506 10.724 1.00 0.00 H new ATOM 0 HA THR A 132 3.387 -20.116 12.045 1.00 0.00 H new ATOM 0 HB THR A 132 1.016 -18.736 12.773 1.00 0.00 H new ATOM 0 HG1 THR A 132 2.026 -17.233 14.302 1.00 0.00 H new ATOM 0 HG21 THR A 132 1.659 -19.354 15.083 1.00 0.00 H new ATOM 0 HG22 THR A 132 1.830 -20.708 13.941 1.00 0.00 H new ATOM 0 HG23 THR A 132 3.271 -19.820 14.488 1.00 0.00 H new ATOM 1981 N PRO A 133 0.979 -20.565 10.891 1.00 0.00 N ATOM 1982 CA PRO A 133 -0.008 -20.981 9.887 1.00 0.00 C ATOM 1983 C PRO A 133 -0.894 -19.831 9.419 1.00 0.00 C ATOM 1984 O PRO A 133 -0.899 -19.480 8.239 1.00 0.00 O ATOM 1985 CB PRO A 133 -0.843 -22.035 10.621 1.00 0.00 C ATOM 1986 CG PRO A 133 0.055 -22.554 11.690 1.00 0.00 C ATOM 1987 CD PRO A 133 0.908 -21.391 12.110 1.00 0.00 C ATOM 0 HA PRO A 133 0.472 -21.351 8.981 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -1.749 -21.599 11.042 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -1.157 -22.832 9.946 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -0.521 -22.940 12.531 1.00 0.00 H new ATOM 0 HG3 PRO A 133 0.669 -23.375 11.320 1.00 0.00 H new ATOM 0 HD2 PRO A 133 0.462 -20.844 12.941 1.00 0.00 H new ATOM 0 HD3 PRO A 133 1.897 -21.714 12.435 1.00 0.00 H new ATOM 1995 N GLU A 134 -1.653 -19.257 10.346 1.00 0.00 N ATOM 1996 CA GLU A 134 -2.554 -18.157 10.020 1.00 0.00 C ATOM 1997 C GLU A 134 -1.954 -16.806 10.402 1.00 0.00 C ATOM 1998 O GLU A 134 -2.680 -15.876 10.755 1.00 0.00 O ATOM 1999 CB GLU A 134 -3.897 -18.346 10.727 1.00 0.00 C ATOM 2000 CG GLU A 134 -5.088 -17.875 9.907 1.00 0.00 C ATOM 2001 CD GLU A 134 -6.405 -18.055 10.637 1.00 0.00 C ATOM 2002 OE1 GLU A 134 -6.454 -18.869 11.582 1.00 0.00 O ATOM 2003 OE2 GLU A 134 -7.388 -17.381 10.262 1.00 0.00 O ATOM 0 H GLU A 134 -1.663 -19.534 11.328 1.00 0.00 H new ATOM 0 HA GLU A 134 -2.707 -18.165 8.941 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -4.026 -19.401 10.967 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -3.880 -17.804 11.672 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -4.957 -16.823 9.654 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -5.119 -18.427 8.968 1.00 0.00 H new ATOM 2010 N ILE A 135 -0.632 -16.700 10.332 1.00 0.00 N ATOM 2011 CA ILE A 135 0.049 -15.457 10.676 1.00 0.00 C ATOM 2012 C ILE A 135 1.289 -15.239 9.812 1.00 0.00 C ATOM 2013 O ILE A 135 2.250 -16.004 9.880 1.00 0.00 O ATOM 2014 CB ILE A 135 0.463 -15.433 12.161 1.00 0.00 C ATOM 2015 CG1 ILE A 135 -0.737 -15.744 13.058 1.00 0.00 C ATOM 2016 CG2 ILE A 135 1.062 -14.081 12.524 1.00 0.00 C ATOM 2017 CD1 ILE A 135 -0.959 -17.225 13.281 1.00 0.00 C ATOM 0 H ILE A 135 -0.012 -17.456 10.041 1.00 0.00 H new ATOM 0 HA ILE A 135 -0.662 -14.653 10.489 1.00 0.00 H new ATOM 0 HB ILE A 135 1.220 -16.201 12.320 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -0.595 -15.257 14.023 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -1.634 -15.314 12.613 1.00 0.00 H new ATOM 0 HG21 ILE A 135 1.349 -14.081 13.576 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.942 -13.896 11.908 1.00 0.00 H new ATOM 0 HG23 ILE A 135 0.325 -13.298 12.349 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -1.826 -17.370 13.926 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -1.133 -17.715 12.323 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -0.078 -17.658 13.755 1.00 0.00 H new ATOM 2029 N ALA A 136 1.254 -14.184 9.004 1.00 0.00 N ATOM 2030 CA ALA A 136 2.371 -13.851 8.126 1.00 0.00 C ATOM 2031 C ALA A 136 2.743 -12.378 8.253 1.00 0.00 C ATOM 2032 O ALA A 136 1.892 -11.536 8.535 1.00 0.00 O ATOM 2033 CB ALA A 136 2.026 -14.189 6.684 1.00 0.00 C ATOM 0 H ALA A 136 0.463 -13.544 8.939 1.00 0.00 H new ATOM 0 HA ALA A 136 3.233 -14.445 8.429 1.00 0.00 H new ATOM 0 HB1 ALA A 136 2.868 -13.936 6.040 1.00 0.00 H new ATOM 0 HB2 ALA A 136 1.813 -15.255 6.601 1.00 0.00 H new ATOM 0 HB3 ALA A 136 1.149 -13.619 6.376 1.00 0.00 H new ATOM 2039 N THR A 137 4.020 -12.070 8.038 1.00 0.00 N ATOM 2040 CA THR A 137 4.494 -10.693 8.127 1.00 0.00 C ATOM 2041 C THR A 137 5.205 -10.285 6.841 1.00 0.00 C ATOM 2042 O THR A 137 5.919 -11.085 6.238 1.00 0.00 O ATOM 2043 CB THR A 137 5.439 -10.533 9.320 1.00 0.00 C ATOM 2044 OG1 THR A 137 5.147 -11.491 10.322 1.00 0.00 O ATOM 2045 CG2 THR A 137 5.367 -9.163 9.960 1.00 0.00 C ATOM 0 H THR A 137 4.741 -12.752 7.802 1.00 0.00 H new ATOM 0 HA THR A 137 3.631 -10.043 8.269 1.00 0.00 H new ATOM 0 HB THR A 137 6.442 -10.676 8.917 1.00 0.00 H new ATOM 0 HG1 THR A 137 5.762 -11.374 11.076 1.00 0.00 H new ATOM 0 HG21 THR A 137 6.061 -9.116 10.799 1.00 0.00 H new ATOM 0 HG22 THR A 137 5.634 -8.404 9.225 1.00 0.00 H new ATOM 0 HG23 THR A 137 4.353 -8.981 10.317 1.00 0.00 H new ATOM 2053 N ARG A 138 5.001 -9.041 6.420 1.00 0.00 N ATOM 2054 CA ARG A 138 5.623 -8.546 5.195 1.00 0.00 C ATOM 2055 C ARG A 138 6.236 -7.164 5.393 1.00 0.00 C ATOM 2056 O ARG A 138 5.659 -6.301 6.056 1.00 0.00 O ATOM 2057 CB ARG A 138 4.601 -8.492 4.056 1.00 0.00 C ATOM 2058 CG ARG A 138 3.566 -9.606 4.100 1.00 0.00 C ATOM 2059 CD ARG A 138 2.241 -9.113 4.659 1.00 0.00 C ATOM 2060 NE ARG A 138 1.470 -8.372 3.662 1.00 0.00 N ATOM 2061 CZ ARG A 138 0.518 -7.490 3.963 1.00 0.00 C ATOM 2062 NH1 ARG A 138 0.210 -7.240 5.230 1.00 0.00 N ATOM 2063 NH2 ARG A 138 -0.129 -6.859 2.993 1.00 0.00 N ATOM 0 H ARG A 138 4.415 -8.361 6.904 1.00 0.00 H new ATOM 0 HA ARG A 138 6.421 -9.242 4.935 1.00 0.00 H new ATOM 0 HB2 ARG A 138 4.087 -7.531 4.088 1.00 0.00 H new ATOM 0 HB3 ARG A 138 5.130 -8.539 3.104 1.00 0.00 H new ATOM 0 HG2 ARG A 138 3.414 -10.003 3.096 1.00 0.00 H new ATOM 0 HG3 ARG A 138 3.938 -10.426 4.714 1.00 0.00 H new ATOM 0 HD2 ARG A 138 1.657 -9.963 5.011 1.00 0.00 H new ATOM 0 HD3 ARG A 138 2.427 -8.474 5.523 1.00 0.00 H new ATOM 0 HE ARG A 138 1.673 -8.540 2.677 1.00 0.00 H new ATOM 0 HH11 ARG A 138 0.703 -7.724 5.980 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -0.520 -6.563 5.453 1.00 0.00 H new ATOM 0 HH21 ARG A 138 0.102 -7.049 2.018 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -0.858 -6.183 3.222 1.00 0.00 H new ATOM 2077 N LEU A 139 7.402 -6.961 4.791 1.00 0.00 N ATOM 2078 CA LEU A 139 8.105 -5.684 4.868 1.00 0.00 C ATOM 2079 C LEU A 139 8.560 -5.269 3.475 1.00 0.00 C ATOM 2080 O LEU A 139 9.152 -6.068 2.750 1.00 0.00 O ATOM 2081 CB LEU A 139 9.307 -5.789 5.808 1.00 0.00 C ATOM 2082 CG LEU A 139 10.425 -6.718 5.330 1.00 0.00 C ATOM 2083 CD1 LEU A 139 11.492 -5.930 4.586 1.00 0.00 C ATOM 2084 CD2 LEU A 139 11.036 -7.467 6.505 1.00 0.00 C ATOM 0 H LEU A 139 7.885 -7.670 4.239 1.00 0.00 H new ATOM 0 HA LEU A 139 7.426 -4.929 5.265 1.00 0.00 H new ATOM 0 HB2 LEU A 139 9.722 -4.792 5.955 1.00 0.00 H new ATOM 0 HB3 LEU A 139 8.959 -6.136 6.781 1.00 0.00 H new ATOM 0 HG LEU A 139 9.996 -7.448 4.644 1.00 0.00 H new ATOM 0 HD11 LEU A 139 12.279 -6.607 4.254 1.00 0.00 H new ATOM 0 HD12 LEU A 139 11.045 -5.440 3.721 1.00 0.00 H new ATOM 0 HD13 LEU A 139 11.917 -5.177 5.250 1.00 0.00 H new ATOM 0 HD21 LEU A 139 11.829 -8.123 6.146 1.00 0.00 H new ATOM 0 HD22 LEU A 139 11.450 -6.752 7.216 1.00 0.00 H new ATOM 0 HD23 LEU A 139 10.267 -8.063 6.996 1.00 0.00 H new ATOM 2096 N GLU A 140 8.275 -4.028 3.089 1.00 0.00 N ATOM 2097 CA GLU A 140 8.660 -3.558 1.764 1.00 0.00 C ATOM 2098 C GLU A 140 8.894 -2.055 1.740 1.00 0.00 C ATOM 2099 O GLU A 140 8.557 -1.340 2.684 1.00 0.00 O ATOM 2100 CB GLU A 140 7.585 -3.929 0.741 1.00 0.00 C ATOM 2101 CG GLU A 140 6.240 -3.270 1.006 1.00 0.00 C ATOM 2102 CD GLU A 140 5.373 -4.077 1.952 1.00 0.00 C ATOM 2103 OE1 GLU A 140 5.681 -4.106 3.162 1.00 0.00 O ATOM 2104 OE2 GLU A 140 4.383 -4.678 1.483 1.00 0.00 O ATOM 0 H GLU A 140 7.787 -3.341 3.664 1.00 0.00 H new ATOM 0 HA GLU A 140 9.599 -4.047 1.505 1.00 0.00 H new ATOM 0 HB2 GLU A 140 7.929 -3.646 -0.254 1.00 0.00 H new ATOM 0 HB3 GLU A 140 7.456 -5.011 0.738 1.00 0.00 H new ATOM 0 HG2 GLU A 140 6.402 -2.277 1.425 1.00 0.00 H new ATOM 0 HG3 GLU A 140 5.713 -3.135 0.061 1.00 0.00 H new ATOM 2111 N TYR A 141 9.479 -1.590 0.643 1.00 0.00 N ATOM 2112 CA TYR A 141 9.772 -0.177 0.467 1.00 0.00 C ATOM 2113 C TYR A 141 9.303 0.310 -0.900 1.00 0.00 C ATOM 2114 O TYR A 141 9.115 -0.485 -1.822 1.00 0.00 O ATOM 2115 CB TYR A 141 11.272 0.080 0.628 1.00 0.00 C ATOM 2116 CG TYR A 141 11.885 -0.628 1.815 1.00 0.00 C ATOM 2117 CD1 TYR A 141 12.040 -2.010 1.820 1.00 0.00 C ATOM 2118 CD2 TYR A 141 12.309 0.083 2.931 1.00 0.00 C ATOM 2119 CE1 TYR A 141 12.600 -2.662 2.902 1.00 0.00 C ATOM 2120 CE2 TYR A 141 12.871 -0.562 4.017 1.00 0.00 C ATOM 2121 CZ TYR A 141 13.014 -1.933 3.997 1.00 0.00 C ATOM 2122 OH TYR A 141 13.572 -2.579 5.077 1.00 0.00 O ATOM 0 H TYR A 141 9.761 -2.177 -0.142 1.00 0.00 H new ATOM 0 HA TYR A 141 9.232 0.378 1.234 1.00 0.00 H new ATOM 0 HB2 TYR A 141 11.786 -0.238 -0.279 1.00 0.00 H new ATOM 0 HB3 TYR A 141 11.439 1.152 0.729 1.00 0.00 H new ATOM 0 HD1 TYR A 141 11.717 -2.583 0.964 1.00 0.00 H new ATOM 0 HD2 TYR A 141 12.198 1.157 2.950 1.00 0.00 H new ATOM 0 HE1 TYR A 141 12.713 -3.736 2.890 1.00 0.00 H new ATOM 0 HE2 TYR A 141 13.196 0.005 4.877 1.00 0.00 H new ATOM 0 HH TYR A 141 13.811 -1.922 5.764 1.00 0.00 H new ATOM 2419 N LEU A 162 9.269 3.279 3.416 1.00 0.00 N ATOM 2420 CA LEU A 162 9.521 2.042 4.156 1.00 0.00 C ATOM 2421 C LEU A 162 8.280 1.646 4.948 1.00 0.00 C ATOM 2422 O LEU A 162 7.804 2.408 5.790 1.00 0.00 O ATOM 2423 CB LEU A 162 10.714 2.215 5.099 1.00 0.00 C ATOM 2424 CG LEU A 162 11.852 3.081 4.555 1.00 0.00 C ATOM 2425 CD1 LEU A 162 11.669 4.531 4.976 1.00 0.00 C ATOM 2426 CD2 LEU A 162 13.198 2.553 5.031 1.00 0.00 C ATOM 0 HA LEU A 162 9.755 1.251 3.443 1.00 0.00 H new ATOM 0 HB2 LEU A 162 10.359 2.653 6.032 1.00 0.00 H new ATOM 0 HB3 LEU A 162 11.112 1.229 5.341 1.00 0.00 H new ATOM 0 HG LEU A 162 11.829 3.034 3.466 1.00 0.00 H new ATOM 0 HD11 LEU A 162 12.488 5.131 4.580 1.00 0.00 H new ATOM 0 HD12 LEU A 162 10.723 4.906 4.587 1.00 0.00 H new ATOM 0 HD13 LEU A 162 11.665 4.596 6.064 1.00 0.00 H new ATOM 0 HD21 LEU A 162 13.996 3.181 4.635 1.00 0.00 H new ATOM 0 HD22 LEU A 162 13.231 2.569 6.120 1.00 0.00 H new ATOM 0 HD23 LEU A 162 13.333 1.530 4.679 1.00 0.00 H new ATOM 2438 N SER A 163 7.746 0.456 4.668 1.00 0.00 N ATOM 2439 CA SER A 163 6.548 -0.013 5.356 1.00 0.00 C ATOM 2440 C SER A 163 6.703 -1.446 5.855 1.00 0.00 C ATOM 2441 O SER A 163 7.467 -2.238 5.300 1.00 0.00 O ATOM 2442 CB SER A 163 5.335 0.084 4.429 1.00 0.00 C ATOM 2443 OG SER A 163 4.698 1.344 4.552 1.00 0.00 O ATOM 0 H SER A 163 8.121 -0.193 3.976 1.00 0.00 H new ATOM 0 HA SER A 163 6.398 0.629 6.224 1.00 0.00 H new ATOM 0 HB2 SER A 163 5.649 -0.069 3.397 1.00 0.00 H new ATOM 0 HB3 SER A 163 4.627 -0.710 4.667 1.00 0.00 H new ATOM 0 HG SER A 163 3.927 1.381 3.948 1.00 0.00 H new ATOM 2449 N LEU A 164 5.950 -1.766 6.903 1.00 0.00 N ATOM 2450 CA LEU A 164 5.963 -3.097 7.497 1.00 0.00 C ATOM 2451 C LEU A 164 4.568 -3.453 8.002 1.00 0.00 C ATOM 2452 O LEU A 164 3.988 -2.730 8.815 1.00 0.00 O ATOM 2453 CB LEU A 164 6.971 -3.161 8.646 1.00 0.00 C ATOM 2454 CG LEU A 164 8.355 -2.593 8.326 1.00 0.00 C ATOM 2455 CD1 LEU A 164 8.399 -1.100 8.611 1.00 0.00 C ATOM 2456 CD2 LEU A 164 9.426 -3.322 9.124 1.00 0.00 C ATOM 0 H LEU A 164 5.316 -1.112 7.362 1.00 0.00 H new ATOM 0 HA LEU A 164 6.261 -3.817 6.735 1.00 0.00 H new ATOM 0 HB2 LEU A 164 6.561 -2.620 9.499 1.00 0.00 H new ATOM 0 HB3 LEU A 164 7.084 -4.201 8.953 1.00 0.00 H new ATOM 0 HG LEU A 164 8.553 -2.744 7.265 1.00 0.00 H new ATOM 0 HD11 LEU A 164 9.391 -0.714 8.377 1.00 0.00 H new ATOM 0 HD12 LEU A 164 7.657 -0.590 7.996 1.00 0.00 H new ATOM 0 HD13 LEU A 164 8.180 -0.924 9.664 1.00 0.00 H new ATOM 0 HD21 LEU A 164 10.405 -2.906 8.885 1.00 0.00 H new ATOM 0 HD22 LEU A 164 9.231 -3.201 10.190 1.00 0.00 H new ATOM 0 HD23 LEU A 164 9.411 -4.382 8.870 1.00 0.00 H new ATOM 2468 N GLY A 165 4.026 -4.559 7.504 1.00 0.00 N ATOM 2469 CA GLY A 165 2.696 -4.970 7.914 1.00 0.00 C ATOM 2470 C GLY A 165 2.550 -6.471 8.073 1.00 0.00 C ATOM 2471 O GLY A 165 3.385 -7.242 7.603 1.00 0.00 O ATOM 0 H GLY A 165 4.480 -5.174 6.829 1.00 0.00 H new ATOM 0 HA2 GLY A 165 2.450 -4.487 8.860 1.00 0.00 H new ATOM 0 HA3 GLY A 165 1.973 -4.618 7.179 1.00 0.00 H new ATOM 2475 N VAL A 166 1.468 -6.878 8.732 1.00 0.00 N ATOM 2476 CA VAL A 166 1.188 -8.292 8.949 1.00 0.00 C ATOM 2477 C VAL A 166 -0.032 -8.713 8.137 1.00 0.00 C ATOM 2478 O VAL A 166 -0.941 -7.913 7.926 1.00 0.00 O ATOM 2479 CB VAL A 166 0.942 -8.594 10.441 1.00 0.00 C ATOM 2480 CG1 VAL A 166 -0.248 -7.800 10.961 1.00 0.00 C ATOM 2481 CG2 VAL A 166 0.737 -10.086 10.663 1.00 0.00 C ATOM 0 H VAL A 166 0.770 -6.246 9.125 1.00 0.00 H new ATOM 0 HA VAL A 166 2.061 -8.858 8.624 1.00 0.00 H new ATOM 0 HB VAL A 166 1.825 -8.288 11.001 1.00 0.00 H new ATOM 0 HG11 VAL A 166 -0.405 -8.028 12.015 1.00 0.00 H new ATOM 0 HG12 VAL A 166 -0.053 -6.734 10.845 1.00 0.00 H new ATOM 0 HG13 VAL A 166 -1.140 -8.069 10.395 1.00 0.00 H new ATOM 0 HG21 VAL A 166 0.565 -10.276 11.722 1.00 0.00 H new ATOM 0 HG22 VAL A 166 -0.126 -10.424 10.089 1.00 0.00 H new ATOM 0 HG23 VAL A 166 1.625 -10.628 10.337 1.00 0.00 H new ATOM 2491 N SER A 167 -0.050 -9.959 7.671 1.00 0.00 N ATOM 2492 CA SER A 167 -1.171 -10.443 6.873 1.00 0.00 C ATOM 2493 C SER A 167 -1.611 -11.845 7.288 1.00 0.00 C ATOM 2494 O SER A 167 -0.815 -12.646 7.780 1.00 0.00 O ATOM 2495 CB SER A 167 -0.803 -10.435 5.388 1.00 0.00 C ATOM 2496 OG SER A 167 -1.963 -10.468 4.575 1.00 0.00 O ATOM 0 H SER A 167 0.689 -10.644 7.830 1.00 0.00 H new ATOM 0 HA SER A 167 -2.008 -9.768 7.049 1.00 0.00 H new ATOM 0 HB2 SER A 167 -0.220 -9.543 5.159 1.00 0.00 H new ATOM 0 HB3 SER A 167 -0.172 -11.295 5.162 1.00 0.00 H new ATOM 0 HG SER A 167 -1.917 -11.238 3.971 1.00 0.00 H new ATOM 2502 N TYR A 168 -2.894 -12.122 7.078 1.00 0.00 N ATOM 2503 CA TYR A 168 -3.472 -13.417 7.418 1.00 0.00 C ATOM 2504 C TYR A 168 -4.036 -14.103 6.176 1.00 0.00 C ATOM 2505 O TYR A 168 -4.739 -13.483 5.375 1.00 0.00 O ATOM 2506 CB TYR A 168 -4.573 -13.249 8.467 1.00 0.00 C ATOM 2507 CG TYR A 168 -4.133 -12.473 9.688 1.00 0.00 C ATOM 2508 CD1 TYR A 168 -3.901 -11.105 9.619 1.00 0.00 C ATOM 2509 CD2 TYR A 168 -3.951 -13.108 10.910 1.00 0.00 C ATOM 2510 CE1 TYR A 168 -3.498 -10.393 10.732 1.00 0.00 C ATOM 2511 CE2 TYR A 168 -3.550 -12.402 12.028 1.00 0.00 C ATOM 2512 CZ TYR A 168 -3.324 -11.045 11.934 1.00 0.00 C ATOM 2513 OH TYR A 168 -2.925 -10.339 13.045 1.00 0.00 O ATOM 0 H TYR A 168 -3.557 -11.462 6.671 1.00 0.00 H new ATOM 0 HA TYR A 168 -2.681 -14.043 7.830 1.00 0.00 H new ATOM 0 HB2 TYR A 168 -5.423 -12.741 8.011 1.00 0.00 H new ATOM 0 HB3 TYR A 168 -4.920 -14.234 8.779 1.00 0.00 H new ATOM 0 HD1 TYR A 168 -4.038 -10.590 8.680 1.00 0.00 H new ATOM 0 HD2 TYR A 168 -4.126 -14.171 10.987 1.00 0.00 H new ATOM 0 HE1 TYR A 168 -3.320 -9.330 10.661 1.00 0.00 H new ATOM 0 HE2 TYR A 168 -3.414 -12.911 12.971 1.00 0.00 H new ATOM 0 HH TYR A 168 -2.851 -10.947 13.810 1.00 0.00 H new ATOM 2523 N ARG A 169 -3.717 -15.386 6.028 1.00 0.00 N ATOM 2524 CA ARG A 169 -4.183 -16.166 4.886 1.00 0.00 C ATOM 2525 C ARG A 169 -5.272 -17.152 5.296 1.00 0.00 C ATOM 2526 O ARG A 169 -5.062 -18.004 6.159 1.00 0.00 O ATOM 2527 CB ARG A 169 -3.017 -16.926 4.251 1.00 0.00 C ATOM 2528 CG ARG A 169 -3.106 -17.023 2.737 1.00 0.00 C ATOM 2529 CD ARG A 169 -2.449 -18.292 2.221 1.00 0.00 C ATOM 2530 NE ARG A 169 -3.423 -19.353 1.973 1.00 0.00 N ATOM 2531 CZ ARG A 169 -3.095 -20.617 1.721 1.00 0.00 C ATOM 2532 NH1 ARG A 169 -1.820 -20.984 1.680 1.00 0.00 N ATOM 2533 NH2 ARG A 169 -4.044 -21.518 1.508 1.00 0.00 N ATOM 0 H ARG A 169 -3.137 -15.908 6.685 1.00 0.00 H new ATOM 0 HA ARG A 169 -4.603 -15.471 4.159 1.00 0.00 H new ATOM 0 HB2 ARG A 169 -2.083 -16.433 4.521 1.00 0.00 H new ATOM 0 HB3 ARG A 169 -2.979 -17.932 4.669 1.00 0.00 H new ATOM 0 HG2 ARG A 169 -4.152 -17.003 2.431 1.00 0.00 H new ATOM 0 HG3 ARG A 169 -2.626 -16.154 2.287 1.00 0.00 H new ATOM 0 HD2 ARG A 169 -1.911 -18.072 1.299 1.00 0.00 H new ATOM 0 HD3 ARG A 169 -1.712 -18.639 2.946 1.00 0.00 H new ATOM 0 HE ARG A 169 -4.413 -19.110 1.994 1.00 0.00 H new ATOM 0 HH11 ARG A 169 -1.086 -20.295 1.842 1.00 0.00 H new ATOM 0 HH12 ARG A 169 -1.575 -21.955 1.486 1.00 0.00 H new ATOM 0 HH21 ARG A 169 -5.025 -21.242 1.537 1.00 0.00 H new ATOM 0 HH22 ARG A 169 -3.793 -22.487 1.315 1.00 0.00 H new ATOM 2547 N PHE A 170 -6.439 -17.027 4.670 1.00 0.00 N ATOM 2548 CA PHE A 170 -7.564 -17.905 4.968 1.00 0.00 C ATOM 2549 C PHE A 170 -7.289 -19.326 4.486 1.00 0.00 C ATOM 2550 O PHE A 170 -6.500 -19.537 3.565 1.00 0.00 O ATOM 2551 CB PHE A 170 -8.842 -17.372 4.316 1.00 0.00 C ATOM 2552 CG PHE A 170 -10.098 -17.799 5.020 1.00 0.00 C ATOM 2553 CD1 PHE A 170 -10.612 -17.047 6.064 1.00 0.00 C ATOM 2554 CD2 PHE A 170 -10.765 -18.950 4.637 1.00 0.00 C ATOM 2555 CE1 PHE A 170 -11.767 -17.436 6.714 1.00 0.00 C ATOM 2556 CE2 PHE A 170 -11.922 -19.345 5.282 1.00 0.00 C ATOM 2557 CZ PHE A 170 -12.424 -18.587 6.322 1.00 0.00 C ATOM 0 H PHE A 170 -6.629 -16.326 3.954 1.00 0.00 H new ATOM 0 HA PHE A 170 -7.698 -17.927 6.050 1.00 0.00 H new ATOM 0 HB2 PHE A 170 -8.801 -16.283 4.292 1.00 0.00 H new ATOM 0 HB3 PHE A 170 -8.881 -17.712 3.281 1.00 0.00 H new ATOM 0 HD1 PHE A 170 -10.103 -16.146 6.373 1.00 0.00 H new ATOM 0 HD2 PHE A 170 -10.377 -19.546 3.825 1.00 0.00 H new ATOM 0 HE1 PHE A 170 -12.156 -16.842 7.527 1.00 0.00 H new ATOM 0 HE2 PHE A 170 -12.433 -20.245 4.973 1.00 0.00 H new ATOM 0 HZ PHE A 170 -13.328 -18.893 6.828 1.00 0.00 H new