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 Set 1.1: A 78 GLN : amide:sc= -4.92 K(o=-5.9,f=-7!) USER MOD Set 1.2: A 100 MET CE :methyl 163:sc= -1.02 (180deg=0) USER MOD Set 2.1: A 6 THR OG1 : rot 126:sc= 2.97 USER MOD Set 2.2: A 8 TYR OH : rot 86:sc= 1.08! USER MOD Set 2.3: A 44 GLN : amide:sc= 0.0663 X(o=4.2,f=3.9) USER MOD Set 2.4: A 94 TYR OH : rot 144:sc= 0.0658 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -1.91 K(o=-1.9,f=-0.6) USER MOD Single : A 48 TYR OH : rot 165: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 80 THR OG1 : rot -36:sc= -1.92 USER MOD Single : A 82 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.127) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 29:sc= -1.19 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot -170:sc= -0.967 USER MOD Single : A 137 THR OG1 : rot -160:sc= -0.0367 USER MOD Single : A 141 TYR OH : rot 180:sc= 0 USER MOD Single : A 163 SER OG : rot 140:sc= -0.18 USER MOD Single : A 167 SER OG : rot 68:sc= 0.0791 USER MOD Single : A 168 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 92 N THR A 6 -6.227 -18.101 -3.659 1.00 0.00 N ATOM 93 CA THR A 6 -6.519 -17.820 -2.255 1.00 0.00 C ATOM 94 C THR A 6 -6.531 -16.318 -1.996 1.00 0.00 C ATOM 95 O THR A 6 -5.991 -15.537 -2.779 1.00 0.00 O ATOM 96 CB THR A 6 -5.487 -18.498 -1.352 1.00 0.00 C ATOM 97 OG1 THR A 6 -4.182 -18.027 -1.641 1.00 0.00 O ATOM 98 CG2 THR A 6 -5.472 -20.004 -1.485 1.00 0.00 C ATOM 0 HA THR A 6 -7.507 -18.219 -2.026 1.00 0.00 H new ATOM 0 HB THR A 6 -5.783 -18.244 -0.334 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.764 -17.696 -0.819 1.00 0.00 H new ATOM 0 HG21 THR A 6 -4.718 -20.421 -0.817 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.451 -20.402 -1.220 1.00 0.00 H new ATOM 0 HG23 THR A 6 -5.236 -20.276 -2.514 1.00 0.00 H new ATOM 106 N TRP A 7 -7.161 -15.921 -0.891 1.00 0.00 N ATOM 107 CA TRP A 7 -7.258 -14.513 -0.527 1.00 0.00 C ATOM 108 C TRP A 7 -6.589 -14.241 0.817 1.00 0.00 C ATOM 109 O TRP A 7 -6.745 -15.008 1.767 1.00 0.00 O ATOM 110 CB TRP A 7 -8.726 -14.081 -0.468 1.00 0.00 C ATOM 111 CG TRP A 7 -8.911 -12.594 -0.463 1.00 0.00 C ATOM 112 CD1 TRP A 7 -8.022 -11.655 -0.900 1.00 0.00 C ATOM 113 CD2 TRP A 7 -10.058 -11.876 0.004 1.00 0.00 C ATOM 114 NE1 TRP A 7 -8.546 -10.396 -0.733 1.00 0.00 N ATOM 115 CE2 TRP A 7 -9.796 -10.504 -0.180 1.00 0.00 C ATOM 116 CE3 TRP A 7 -11.283 -12.258 0.559 1.00 0.00 C ATOM 117 CZ2 TRP A 7 -10.712 -9.517 0.171 1.00 0.00 C ATOM 118 CZ3 TRP A 7 -12.192 -11.276 0.907 1.00 0.00 C ATOM 119 CH2 TRP A 7 -11.902 -9.920 0.712 1.00 0.00 C ATOM 0 H TRP A 7 -7.611 -16.557 -0.233 1.00 0.00 H new ATOM 0 HA TRP A 7 -6.740 -13.935 -1.292 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -9.255 -14.502 -1.323 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -9.184 -14.499 0.428 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -7.049 -11.870 -1.316 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -8.081 -9.523 -0.980 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -11.515 -13.301 0.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -10.491 -8.470 0.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -13.142 -11.560 1.336 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -12.633 -9.177 0.995 1.00 0.00 H new ATOM 130 N TYR A 8 -5.848 -13.140 0.888 1.00 0.00 N ATOM 131 CA TYR A 8 -5.156 -12.759 2.114 1.00 0.00 C ATOM 132 C TYR A 8 -5.552 -11.351 2.545 1.00 0.00 C ATOM 133 O TYR A 8 -5.980 -10.536 1.726 1.00 0.00 O ATOM 134 CB TYR A 8 -3.640 -12.834 1.916 1.00 0.00 C ATOM 135 CG TYR A 8 -3.176 -14.070 1.177 1.00 0.00 C ATOM 136 CD1 TYR A 8 -3.789 -15.300 1.381 1.00 0.00 C ATOM 137 CD2 TYR A 8 -2.120 -14.007 0.275 1.00 0.00 C ATOM 138 CE1 TYR A 8 -3.365 -16.431 0.709 1.00 0.00 C ATOM 139 CE2 TYR A 8 -1.690 -15.134 -0.401 1.00 0.00 C ATOM 140 CZ TYR A 8 -2.316 -16.342 -0.180 1.00 0.00 C ATOM 141 OH TYR A 8 -1.889 -17.467 -0.849 1.00 0.00 O ATOM 0 H TYR A 8 -5.711 -12.495 0.110 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.448 -13.458 2.898 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -3.311 -11.951 1.368 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -3.155 -12.803 2.891 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -4.611 -15.374 2.077 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -1.627 -13.062 0.099 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -3.853 -17.379 0.880 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -0.868 -15.068 -1.098 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.429 -17.592 -1.657 1.00 0.00 H new ATOM 151 N THR A 9 -5.410 -11.070 3.837 1.00 0.00 N ATOM 152 CA THR A 9 -5.755 -9.759 4.380 1.00 0.00 C ATOM 153 C THR A 9 -4.867 -9.413 5.571 1.00 0.00 C ATOM 154 O THR A 9 -4.459 -10.296 6.325 1.00 0.00 O ATOM 155 CB THR A 9 -7.226 -9.730 4.801 1.00 0.00 C ATOM 156 OG1 THR A 9 -7.466 -10.654 5.848 1.00 0.00 O ATOM 157 CG2 THR A 9 -8.178 -10.059 3.671 1.00 0.00 C ATOM 0 H THR A 9 -5.058 -11.733 4.528 1.00 0.00 H new ATOM 0 HA THR A 9 -5.592 -9.015 3.600 1.00 0.00 H new ATOM 0 HB THR A 9 -7.414 -8.707 5.127 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.411 -10.620 6.104 1.00 0.00 H new ATOM 0 HG21 THR A 9 -9.204 -10.021 4.037 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.052 -9.334 2.867 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.964 -11.059 3.295 1.00 0.00 H new ATOM 165 N GLY A 10 -4.567 -8.128 5.737 1.00 0.00 N ATOM 166 CA GLY A 10 -3.724 -7.713 6.842 1.00 0.00 C ATOM 167 C GLY A 10 -3.675 -6.210 7.029 1.00 0.00 C ATOM 168 O GLY A 10 -4.517 -5.478 6.509 1.00 0.00 O ATOM 0 H GLY A 10 -4.890 -7.373 5.131 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.088 -8.174 7.760 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.713 -8.085 6.677 1.00 0.00 H new ATOM 172 N ALA A 11 -2.672 -5.755 7.775 1.00 0.00 N ATOM 173 CA ALA A 11 -2.489 -4.334 8.038 1.00 0.00 C ATOM 174 C ALA A 11 -1.037 -3.927 7.804 1.00 0.00 C ATOM 175 O ALA A 11 -0.133 -4.758 7.903 1.00 0.00 O ATOM 176 CB ALA A 11 -2.911 -4.000 9.460 1.00 0.00 C ATOM 0 H ALA A 11 -1.971 -6.355 8.209 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.118 -3.772 7.348 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.768 -2.935 9.641 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.962 -4.254 9.597 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.305 -4.572 10.163 1.00 0.00 H new ATOM 182 N LYS A 12 -0.813 -2.658 7.482 1.00 0.00 N ATOM 183 CA LYS A 12 0.541 -2.176 7.226 1.00 0.00 C ATOM 184 C LYS A 12 0.793 -0.819 7.875 1.00 0.00 C ATOM 185 O LYS A 12 -0.118 -0.005 8.023 1.00 0.00 O ATOM 186 CB LYS A 12 0.791 -2.085 5.720 1.00 0.00 C ATOM 187 CG LYS A 12 2.165 -2.582 5.299 1.00 0.00 C ATOM 188 CD LYS A 12 2.711 -1.785 4.126 1.00 0.00 C ATOM 189 CE LYS A 12 2.084 -2.226 2.814 1.00 0.00 C ATOM 190 NZ LYS A 12 2.933 -3.217 2.097 1.00 0.00 N ATOM 0 H LYS A 12 -1.542 -1.950 7.392 1.00 0.00 H new ATOM 0 HA LYS A 12 1.233 -2.892 7.670 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.029 -2.664 5.198 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.676 -1.048 5.403 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.853 -2.509 6.141 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.104 -3.636 5.027 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.518 -0.724 4.284 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.793 -1.908 4.073 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.104 -2.661 3.009 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.926 -1.356 2.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.470 -3.492 1.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.860 -2.794 1.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.063 -4.059 2.694 1.00 0.00 H new ATOM 204 N LEU A 13 2.049 -0.587 8.245 1.00 0.00 N ATOM 205 CA LEU A 13 2.456 0.669 8.864 1.00 0.00 C ATOM 206 C LEU A 13 3.902 0.980 8.492 1.00 0.00 C ATOM 207 O LEU A 13 4.795 0.162 8.715 1.00 0.00 O ATOM 208 CB LEU A 13 2.309 0.589 10.385 1.00 0.00 C ATOM 209 CG LEU A 13 2.152 1.936 11.092 1.00 0.00 C ATOM 210 CD1 LEU A 13 1.504 1.751 12.455 1.00 0.00 C ATOM 211 CD2 LEU A 13 3.502 2.623 11.231 1.00 0.00 C ATOM 0 H LEU A 13 2.807 -1.259 8.125 1.00 0.00 H new ATOM 0 HA LEU A 13 1.811 1.468 8.498 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.443 -0.030 10.619 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.183 0.081 10.793 1.00 0.00 H new ATOM 0 HG LEU A 13 1.503 2.570 10.487 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.400 2.720 12.943 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.519 1.300 12.332 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.127 1.100 13.069 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.373 3.580 11.736 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.173 1.992 11.815 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.929 2.789 10.242 1.00 0.00 H new ATOM 556 N ALA A 37 -0.224 4.637 8.890 1.00 0.00 N ATOM 557 CA ALA A 37 -0.801 3.315 9.094 1.00 0.00 C ATOM 558 C ALA A 37 -1.965 3.068 8.138 1.00 0.00 C ATOM 559 O ALA A 37 -2.563 4.008 7.615 1.00 0.00 O ATOM 560 CB ALA A 37 -1.259 3.156 10.536 1.00 0.00 C ATOM 0 HA ALA A 37 -0.030 2.574 8.884 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.688 2.164 10.674 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.407 3.279 11.204 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.011 3.911 10.764 1.00 0.00 H new ATOM 566 N GLY A 38 -2.277 1.796 7.915 1.00 0.00 N ATOM 567 CA GLY A 38 -3.367 1.454 7.020 1.00 0.00 C ATOM 568 C GLY A 38 -3.672 -0.031 6.987 1.00 0.00 C ATOM 569 O GLY A 38 -3.112 -0.809 7.759 1.00 0.00 O ATOM 0 H GLY A 38 -1.798 1.000 8.335 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.262 1.995 7.326 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.120 1.790 6.013 1.00 0.00 H new ATOM 573 N ALA A 39 -4.564 -0.419 6.080 1.00 0.00 N ATOM 574 CA ALA A 39 -4.949 -1.817 5.933 1.00 0.00 C ATOM 575 C ALA A 39 -4.863 -2.249 4.473 1.00 0.00 C ATOM 576 O ALA A 39 -4.985 -1.422 3.569 1.00 0.00 O ATOM 577 CB ALA A 39 -6.355 -2.038 6.470 1.00 0.00 C ATOM 0 H ALA A 39 -5.034 0.217 5.435 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.255 -2.427 6.512 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.628 -3.087 6.353 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.387 -1.770 7.526 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.058 -1.416 5.916 1.00 0.00 H new ATOM 583 N PHE A 40 -4.646 -3.540 4.240 1.00 0.00 N ATOM 584 CA PHE A 40 -4.540 -4.044 2.876 1.00 0.00 C ATOM 585 C PHE A 40 -4.795 -5.544 2.804 1.00 0.00 C ATOM 586 O PHE A 40 -4.848 -6.232 3.825 1.00 0.00 O ATOM 587 CB PHE A 40 -3.157 -3.719 2.302 1.00 0.00 C ATOM 588 CG PHE A 40 -2.048 -4.552 2.882 1.00 0.00 C ATOM 589 CD1 PHE A 40 -1.542 -4.275 4.142 1.00 0.00 C ATOM 590 CD2 PHE A 40 -1.513 -5.611 2.167 1.00 0.00 C ATOM 591 CE1 PHE A 40 -0.522 -5.040 4.677 1.00 0.00 C ATOM 592 CE2 PHE A 40 -0.494 -6.378 2.697 1.00 0.00 C ATOM 593 CZ PHE A 40 0.003 -6.093 3.954 1.00 0.00 C ATOM 0 H PHE A 40 -4.541 -4.247 4.967 1.00 0.00 H new ATOM 0 HA PHE A 40 -5.308 -3.549 2.281 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.180 -3.862 1.222 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.939 -2.666 2.479 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -1.949 -3.453 4.712 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.897 -5.839 1.184 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.136 -4.814 5.660 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.086 -7.201 2.129 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.800 -6.692 4.370 1.00 0.00 H new ATOM 603 N GLY A 41 -4.942 -6.041 1.582 1.00 0.00 N ATOM 604 CA GLY A 41 -5.180 -7.455 1.368 1.00 0.00 C ATOM 605 C GLY A 41 -4.525 -7.948 0.095 1.00 0.00 C ATOM 606 O GLY A 41 -4.187 -7.152 -0.780 1.00 0.00 O ATOM 0 H GLY A 41 -4.900 -5.484 0.729 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -4.797 -8.021 2.217 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.253 -7.640 1.320 1.00 0.00 H new ATOM 610 N GLY A 42 -4.336 -9.258 -0.010 1.00 0.00 N ATOM 611 CA GLY A 42 -3.707 -9.808 -1.195 1.00 0.00 C ATOM 612 C GLY A 42 -4.203 -11.194 -1.545 1.00 0.00 C ATOM 613 O GLY A 42 -4.137 -12.114 -0.730 1.00 0.00 O ATOM 0 H GLY A 42 -4.604 -9.943 0.697 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.889 -9.141 -2.038 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.628 -9.843 -1.043 1.00 0.00 H new ATOM 617 N TYR A 43 -4.684 -11.346 -2.774 1.00 0.00 N ATOM 618 CA TYR A 43 -5.178 -12.627 -3.256 1.00 0.00 C ATOM 619 C TYR A 43 -4.158 -13.245 -4.201 1.00 0.00 C ATOM 620 O TYR A 43 -3.695 -12.591 -5.136 1.00 0.00 O ATOM 621 CB TYR A 43 -6.517 -12.443 -3.973 1.00 0.00 C ATOM 622 CG TYR A 43 -7.124 -13.733 -4.480 1.00 0.00 C ATOM 623 CD1 TYR A 43 -6.556 -14.422 -5.544 1.00 0.00 C ATOM 624 CD2 TYR A 43 -8.268 -14.261 -3.894 1.00 0.00 C ATOM 625 CE1 TYR A 43 -7.110 -15.599 -6.010 1.00 0.00 C ATOM 626 CE2 TYR A 43 -8.827 -15.438 -4.353 1.00 0.00 C ATOM 627 CZ TYR A 43 -8.245 -16.103 -5.411 1.00 0.00 C ATOM 628 OH TYR A 43 -8.799 -17.275 -5.871 1.00 0.00 O ATOM 0 H TYR A 43 -4.742 -10.591 -3.457 1.00 0.00 H new ATOM 0 HA TYR A 43 -5.329 -13.293 -2.406 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -7.220 -11.965 -3.291 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -6.377 -11.764 -4.814 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -5.666 -14.031 -6.015 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -8.728 -13.742 -3.066 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -6.656 -16.121 -6.839 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -9.716 -15.835 -3.885 1.00 0.00 H new ATOM 0 HH TYR A 43 -9.593 -17.492 -5.340 1.00 0.00 H new ATOM 638 N GLN A 44 -3.808 -14.504 -3.965 1.00 0.00 N ATOM 639 CA GLN A 44 -2.844 -15.190 -4.812 1.00 0.00 C ATOM 640 C GLN A 44 -3.557 -15.985 -5.898 1.00 0.00 C ATOM 641 O GLN A 44 -4.419 -16.820 -5.607 1.00 0.00 O ATOM 642 CB GLN A 44 -1.962 -16.116 -3.973 1.00 0.00 C ATOM 643 CG GLN A 44 -0.562 -16.297 -4.535 1.00 0.00 C ATOM 644 CD GLN A 44 0.504 -16.292 -3.456 1.00 0.00 C ATOM 645 OE1 GLN A 44 1.223 -15.308 -3.282 1.00 0.00 O ATOM 646 NE2 GLN A 44 0.610 -17.395 -2.724 1.00 0.00 N ATOM 0 H GLN A 44 -4.176 -15.067 -3.198 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.212 -14.441 -5.289 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -1.889 -15.717 -2.961 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -2.443 -17.091 -3.897 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.514 -17.237 -5.084 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.355 -15.500 -5.249 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.007 -18.187 -2.903 1.00 0.00 H new ATOM 0 HE22 GLN A 44 1.309 -17.450 -1.983 1.00 0.00 H new ATOM 655 N VAL A 45 -3.192 -15.717 -7.148 1.00 0.00 N ATOM 656 CA VAL A 45 -3.792 -16.399 -8.287 1.00 0.00 C ATOM 657 C VAL A 45 -2.945 -17.590 -8.714 1.00 0.00 C ATOM 658 O VAL A 45 -3.467 -18.638 -9.092 1.00 0.00 O ATOM 659 CB VAL A 45 -3.964 -15.449 -9.486 1.00 0.00 C ATOM 660 CG1 VAL A 45 -4.765 -16.120 -10.590 1.00 0.00 C ATOM 661 CG2 VAL A 45 -4.628 -14.152 -9.049 1.00 0.00 C ATOM 0 H VAL A 45 -2.481 -15.030 -7.397 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.775 -16.747 -7.969 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.976 -15.210 -9.880 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.876 -15.432 -11.429 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.244 -17.018 -10.923 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.750 -16.392 -10.211 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.741 -13.493 -9.910 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.609 -14.370 -8.627 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.010 -13.662 -8.296 1.00 0.00 H new ATOM 671 N ASN A 46 -1.629 -17.413 -8.648 1.00 0.00 N ATOM 672 CA ASN A 46 -0.684 -18.456 -9.023 1.00 0.00 C ATOM 673 C ASN A 46 0.572 -18.362 -8.157 1.00 0.00 C ATOM 674 O ASN A 46 0.670 -17.495 -7.288 1.00 0.00 O ATOM 675 CB ASN A 46 -0.319 -18.330 -10.504 1.00 0.00 C ATOM 676 CG ASN A 46 -0.782 -19.524 -11.317 1.00 0.00 C ATOM 677 OD1 ASN A 46 -1.925 -19.964 -11.199 1.00 0.00 O ATOM 678 ND2 ASN A 46 0.108 -20.055 -12.147 1.00 0.00 N ATOM 0 H ASN A 46 -1.191 -16.547 -8.335 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.149 -19.428 -8.861 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.766 -17.422 -10.910 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.761 -18.224 -10.601 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -0.145 -20.861 -12.719 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.045 -19.657 -12.213 1.00 0.00 H new ATOM 685 N PRO A 47 1.551 -19.256 -8.376 1.00 0.00 N ATOM 686 CA PRO A 47 2.797 -19.267 -7.599 1.00 0.00 C ATOM 687 C PRO A 47 3.584 -17.963 -7.718 1.00 0.00 C ATOM 688 O PRO A 47 4.222 -17.528 -6.760 1.00 0.00 O ATOM 689 CB PRO A 47 3.596 -20.425 -8.209 1.00 0.00 C ATOM 690 CG PRO A 47 2.585 -21.274 -8.899 1.00 0.00 C ATOM 691 CD PRO A 47 1.520 -20.332 -9.380 1.00 0.00 C ATOM 0 HA PRO A 47 2.598 -19.379 -6.533 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.347 -20.060 -8.909 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.124 -20.988 -7.439 1.00 0.00 H new ATOM 0 HG2 PRO A 47 3.033 -21.816 -9.732 1.00 0.00 H new ATOM 0 HG3 PRO A 47 2.171 -22.019 -8.220 1.00 0.00 H new ATOM 0 HD2 PRO A 47 1.735 -19.957 -10.380 1.00 0.00 H new ATOM 0 HD3 PRO A 47 0.544 -20.815 -9.424 1.00 0.00 H new ATOM 699 N TYR A 48 3.554 -17.352 -8.900 1.00 0.00 N ATOM 700 CA TYR A 48 4.291 -16.109 -9.128 1.00 0.00 C ATOM 701 C TYR A 48 3.387 -14.975 -9.616 1.00 0.00 C ATOM 702 O TYR A 48 3.881 -13.935 -10.051 1.00 0.00 O ATOM 703 CB TYR A 48 5.412 -16.343 -10.141 1.00 0.00 C ATOM 704 CG TYR A 48 6.463 -17.321 -9.668 1.00 0.00 C ATOM 705 CD1 TYR A 48 6.284 -18.691 -9.820 1.00 0.00 C ATOM 706 CD2 TYR A 48 7.635 -16.876 -9.070 1.00 0.00 C ATOM 707 CE1 TYR A 48 7.243 -19.588 -9.389 1.00 0.00 C ATOM 708 CE2 TYR A 48 8.598 -17.767 -8.636 1.00 0.00 C ATOM 709 CZ TYR A 48 8.398 -19.122 -8.799 1.00 0.00 C ATOM 710 OH TYR A 48 9.355 -20.012 -8.368 1.00 0.00 O ATOM 0 H TYR A 48 3.033 -17.692 -9.708 1.00 0.00 H new ATOM 0 HA TYR A 48 4.711 -15.805 -8.169 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.978 -16.711 -11.071 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.890 -15.390 -10.367 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.381 -19.061 -10.282 1.00 0.00 H new ATOM 0 HD2 TYR A 48 7.796 -15.816 -8.942 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.088 -20.649 -9.514 1.00 0.00 H new ATOM 0 HE2 TYR A 48 9.503 -17.404 -8.171 1.00 0.00 H new ATOM 0 HH TYR A 48 10.194 -19.534 -8.199 1.00 0.00 H new ATOM 720 N VAL A 49 2.073 -15.167 -9.554 1.00 0.00 N ATOM 721 CA VAL A 49 1.140 -14.138 -10.004 1.00 0.00 C ATOM 722 C VAL A 49 -0.010 -13.955 -9.020 1.00 0.00 C ATOM 723 O VAL A 49 -0.841 -14.848 -8.853 1.00 0.00 O ATOM 724 CB VAL A 49 0.562 -14.473 -11.391 1.00 0.00 C ATOM 725 CG1 VAL A 49 -0.242 -13.301 -11.934 1.00 0.00 C ATOM 726 CG2 VAL A 49 1.674 -14.857 -12.355 1.00 0.00 C ATOM 0 H VAL A 49 1.633 -16.016 -9.200 1.00 0.00 H new ATOM 0 HA VAL A 49 1.708 -13.210 -10.065 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.109 -15.326 -11.287 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.642 -13.558 -12.915 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.064 -13.078 -11.254 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.403 -12.427 -12.023 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.246 -15.090 -13.330 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.372 -14.026 -12.455 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.202 -15.730 -11.972 1.00 0.00 H new ATOM 736 N GLY A 50 -0.059 -12.793 -8.372 1.00 0.00 N ATOM 737 CA GLY A 50 -1.116 -12.518 -7.418 1.00 0.00 C ATOM 738 C GLY A 50 -1.586 -11.076 -7.472 1.00 0.00 C ATOM 739 O GLY A 50 -1.052 -10.273 -8.238 1.00 0.00 O ATOM 0 H GLY A 50 0.616 -12.038 -8.492 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.960 -13.179 -7.615 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.761 -12.744 -6.412 1.00 0.00 H new ATOM 743 N PHE A 51 -2.582 -10.747 -6.658 1.00 0.00 N ATOM 744 CA PHE A 51 -3.119 -9.391 -6.615 1.00 0.00 C ATOM 745 C PHE A 51 -3.127 -8.864 -5.184 1.00 0.00 C ATOM 746 O PHE A 51 -3.252 -9.636 -4.233 1.00 0.00 O ATOM 747 CB PHE A 51 -4.536 -9.360 -7.190 1.00 0.00 C ATOM 748 CG PHE A 51 -4.575 -9.385 -8.691 1.00 0.00 C ATOM 749 CD1 PHE A 51 -4.415 -10.576 -9.382 1.00 0.00 C ATOM 750 CD2 PHE A 51 -4.771 -8.218 -9.413 1.00 0.00 C ATOM 751 CE1 PHE A 51 -4.450 -10.602 -10.763 1.00 0.00 C ATOM 752 CE2 PHE A 51 -4.807 -8.238 -10.794 1.00 0.00 C ATOM 753 CZ PHE A 51 -4.646 -9.432 -11.470 1.00 0.00 C ATOM 0 H PHE A 51 -3.035 -11.400 -6.019 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.478 -8.750 -7.221 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.094 -10.214 -6.806 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.043 -8.462 -6.836 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -4.261 -11.494 -8.835 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.897 -7.282 -8.890 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.324 -11.537 -11.289 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -4.961 -7.322 -11.344 1.00 0.00 H new ATOM 0 HZ PHE A 51 -4.673 -9.450 -12.549 1.00 0.00 H new ATOM 763 N GLU A 52 -2.986 -7.551 -5.031 1.00 0.00 N ATOM 764 CA GLU A 52 -2.972 -6.941 -3.707 1.00 0.00 C ATOM 765 C GLU A 52 -3.596 -5.549 -3.728 1.00 0.00 C ATOM 766 O GLU A 52 -3.293 -4.731 -4.596 1.00 0.00 O ATOM 767 CB GLU A 52 -1.536 -6.861 -3.180 1.00 0.00 C ATOM 768 CG GLU A 52 -1.423 -6.214 -1.807 1.00 0.00 C ATOM 769 CD GLU A 52 -0.733 -7.107 -0.795 1.00 0.00 C ATOM 770 OE1 GLU A 52 -1.027 -8.322 -0.777 1.00 0.00 O ATOM 771 OE2 GLU A 52 0.101 -6.592 -0.022 1.00 0.00 O ATOM 0 H GLU A 52 -2.880 -6.893 -5.803 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.568 -7.568 -3.044 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.119 -7.867 -3.133 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.929 -6.297 -3.889 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.872 -5.278 -1.895 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.420 -5.964 -1.445 1.00 0.00 H new ATOM 778 N MET A 53 -4.466 -5.292 -2.757 1.00 0.00 N ATOM 779 CA MET A 53 -5.137 -4.003 -2.644 1.00 0.00 C ATOM 780 C MET A 53 -4.938 -3.422 -1.248 1.00 0.00 C ATOM 781 O MET A 53 -4.762 -4.167 -0.283 1.00 0.00 O ATOM 782 CB MET A 53 -6.632 -4.153 -2.940 1.00 0.00 C ATOM 783 CG MET A 53 -7.373 -2.829 -3.026 1.00 0.00 C ATOM 784 SD MET A 53 -9.160 -3.024 -2.885 1.00 0.00 S ATOM 785 CE MET A 53 -9.431 -2.448 -1.210 1.00 0.00 C ATOM 0 H MET A 53 -4.724 -5.963 -2.034 1.00 0.00 H new ATOM 0 HA MET A 53 -4.700 -3.322 -3.374 1.00 0.00 H new ATOM 0 HB2 MET A 53 -6.755 -4.690 -3.880 1.00 0.00 H new ATOM 0 HB3 MET A 53 -7.088 -4.765 -2.162 1.00 0.00 H new ATOM 0 HG2 MET A 53 -7.020 -2.167 -2.235 1.00 0.00 H new ATOM 0 HG3 MET A 53 -7.138 -2.346 -3.974 1.00 0.00 H new ATOM 0 HE1 MET A 53 -10.493 -2.507 -0.972 1.00 0.00 H new ATOM 0 HE2 MET A 53 -8.868 -3.071 -0.515 1.00 0.00 H new ATOM 0 HE3 MET A 53 -9.097 -1.414 -1.122 1.00 0.00 H new ATOM 795 N GLY A 54 -4.960 -2.099 -1.139 1.00 0.00 N ATOM 796 CA GLY A 54 -4.772 -1.468 0.155 1.00 0.00 C ATOM 797 C GLY A 54 -5.326 -0.059 0.220 1.00 0.00 C ATOM 798 O GLY A 54 -5.494 0.603 -0.805 1.00 0.00 O ATOM 0 H GLY A 54 -5.104 -1.455 -1.917 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.253 -2.076 0.921 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.708 -1.444 0.389 1.00 0.00 H new ATOM 802 N TYR A 55 -5.611 0.395 1.437 1.00 0.00 N ATOM 803 CA TYR A 55 -6.151 1.731 1.654 1.00 0.00 C ATOM 804 C TYR A 55 -5.852 2.213 3.070 1.00 0.00 C ATOM 805 O TYR A 55 -5.595 1.409 3.969 1.00 0.00 O ATOM 806 CB TYR A 55 -7.660 1.742 1.407 1.00 0.00 C ATOM 807 CG TYR A 55 -8.412 0.702 2.207 1.00 0.00 C ATOM 808 CD1 TYR A 55 -8.439 -0.627 1.804 1.00 0.00 C ATOM 809 CD2 TYR A 55 -9.094 1.050 3.366 1.00 0.00 C ATOM 810 CE1 TYR A 55 -9.126 -1.580 2.533 1.00 0.00 C ATOM 811 CE2 TYR A 55 -9.782 0.102 4.101 1.00 0.00 C ATOM 812 CZ TYR A 55 -9.794 -1.211 3.680 1.00 0.00 C ATOM 813 OH TYR A 55 -10.479 -2.156 4.408 1.00 0.00 O ATOM 0 H TYR A 55 -5.476 -0.146 2.291 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.671 2.409 0.948 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.052 2.729 1.651 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -7.847 1.577 0.346 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.915 -0.921 0.907 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.087 2.078 3.698 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -9.139 -2.609 2.205 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.307 0.389 5.000 1.00 0.00 H new ATOM 0 HH TYR A 55 -10.893 -1.731 5.188 1.00 0.00 H new ATOM 1136 N VAL A 77 -8.084 4.905 -2.293 1.00 0.00 N ATOM 1137 CA VAL A 77 -8.039 3.466 -2.530 1.00 0.00 C ATOM 1138 C VAL A 77 -6.849 3.095 -3.409 1.00 0.00 C ATOM 1139 O VAL A 77 -6.521 3.809 -4.356 1.00 0.00 O ATOM 1140 CB VAL A 77 -9.338 2.965 -3.194 1.00 0.00 C ATOM 1141 CG1 VAL A 77 -9.538 3.626 -4.550 1.00 0.00 C ATOM 1142 CG2 VAL A 77 -9.321 1.449 -3.328 1.00 0.00 C ATOM 0 HA VAL A 77 -7.932 2.985 -1.558 1.00 0.00 H new ATOM 0 HB VAL A 77 -10.178 3.241 -2.556 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -10.460 3.259 -5.001 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -9.602 4.707 -4.422 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -8.696 3.387 -5.199 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -10.246 1.115 -3.799 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.472 1.147 -3.942 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -9.233 0.997 -2.340 1.00 0.00 H new ATOM 1152 N GLN A 78 -6.203 1.977 -3.091 1.00 0.00 N ATOM 1153 CA GLN A 78 -5.049 1.518 -3.855 1.00 0.00 C ATOM 1154 C GLN A 78 -5.242 0.080 -4.325 1.00 0.00 C ATOM 1155 O GLN A 78 -5.609 -0.798 -3.544 1.00 0.00 O ATOM 1156 CB GLN A 78 -3.774 1.622 -3.014 1.00 0.00 C ATOM 1157 CG GLN A 78 -3.748 2.826 -2.085 1.00 0.00 C ATOM 1158 CD GLN A 78 -2.339 3.306 -1.792 1.00 0.00 C ATOM 1159 OE1 GLN A 78 -1.362 2.724 -2.264 1.00 0.00 O ATOM 1160 NE2 GLN A 78 -2.228 4.373 -1.010 1.00 0.00 N ATOM 0 H GLN A 78 -6.459 1.373 -2.310 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.952 2.159 -4.731 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.667 0.714 -2.420 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -2.913 1.671 -3.681 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.319 3.639 -2.534 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.242 2.568 -1.148 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.065 4.824 -0.641 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -1.306 4.742 -0.778 1.00 0.00 H new ATOM 1169 N LEU A 79 -4.975 -0.152 -5.606 1.00 0.00 N ATOM 1170 CA LEU A 79 -5.098 -1.480 -6.196 1.00 0.00 C ATOM 1171 C LEU A 79 -3.866 -1.781 -7.040 1.00 0.00 C ATOM 1172 O LEU A 79 -3.459 -0.963 -7.865 1.00 0.00 O ATOM 1173 CB LEU A 79 -6.360 -1.568 -7.059 1.00 0.00 C ATOM 1174 CG LEU A 79 -7.073 -2.924 -7.026 1.00 0.00 C ATOM 1175 CD1 LEU A 79 -8.336 -2.847 -6.182 1.00 0.00 C ATOM 1176 CD2 LEU A 79 -7.399 -3.390 -8.437 1.00 0.00 C ATOM 0 H LEU A 79 -4.670 0.569 -6.260 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.175 -2.216 -5.396 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.060 -0.798 -6.733 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.093 -1.340 -8.091 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.402 -3.652 -6.570 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.827 -3.820 -6.172 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.076 -2.561 -5.163 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -9.012 -2.104 -6.606 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.905 -4.354 -8.394 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -8.049 -2.660 -8.920 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.477 -3.489 -9.010 1.00 0.00 H new ATOM 1188 N THR A 80 -3.259 -2.943 -6.823 1.00 0.00 N ATOM 1189 CA THR A 80 -2.060 -3.309 -7.569 1.00 0.00 C ATOM 1190 C THR A 80 -1.914 -4.821 -7.709 1.00 0.00 C ATOM 1191 O THR A 80 -2.657 -5.598 -7.108 1.00 0.00 O ATOM 1192 CB THR A 80 -0.816 -2.738 -6.881 1.00 0.00 C ATOM 1193 OG1 THR A 80 -0.404 -3.576 -5.817 1.00 0.00 O ATOM 1194 CG2 THR A 80 -1.018 -1.348 -6.314 1.00 0.00 C ATOM 0 H THR A 80 -3.572 -3.639 -6.146 1.00 0.00 H new ATOM 0 HA THR A 80 -2.159 -2.886 -8.569 1.00 0.00 H new ATOM 0 HB THR A 80 -0.059 -2.684 -7.664 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.192 -3.956 -5.376 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.095 -1.010 -5.843 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.287 -0.663 -7.118 1.00 0.00 H new ATOM 0 HG23 THR A 80 -1.817 -1.370 -5.573 1.00 0.00 H new ATOM 1202 N ALA A 81 -0.921 -5.216 -8.500 1.00 0.00 N ATOM 1203 CA ALA A 81 -0.619 -6.623 -8.729 1.00 0.00 C ATOM 1204 C ALA A 81 0.609 -7.027 -7.922 1.00 0.00 C ATOM 1205 O ALA A 81 1.547 -6.242 -7.782 1.00 0.00 O ATOM 1206 CB ALA A 81 -0.397 -6.886 -10.211 1.00 0.00 C ATOM 0 H ALA A 81 -0.306 -4.572 -8.998 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.467 -7.224 -8.402 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -0.173 -7.942 -10.364 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -1.297 -6.622 -10.766 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.438 -6.283 -10.567 1.00 0.00 H new ATOM 1212 N LYS A 82 0.603 -8.242 -7.383 1.00 0.00 N ATOM 1213 CA LYS A 82 1.722 -8.722 -6.582 1.00 0.00 C ATOM 1214 C LYS A 82 2.508 -9.803 -7.316 1.00 0.00 C ATOM 1215 O LYS A 82 1.948 -10.818 -7.735 1.00 0.00 O ATOM 1216 CB LYS A 82 1.215 -9.265 -5.245 1.00 0.00 C ATOM 1217 CG LYS A 82 2.326 -9.606 -4.265 1.00 0.00 C ATOM 1218 CD LYS A 82 2.061 -9.012 -2.889 1.00 0.00 C ATOM 1219 CE LYS A 82 2.924 -9.668 -1.824 1.00 0.00 C ATOM 1220 NZ LYS A 82 2.277 -10.883 -1.255 1.00 0.00 N ATOM 0 H LYS A 82 -0.161 -8.909 -7.486 1.00 0.00 H new ATOM 0 HA LYS A 82 2.391 -7.880 -6.402 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.554 -8.527 -4.790 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.617 -10.158 -5.428 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.420 -10.689 -4.183 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.276 -9.232 -4.647 1.00 0.00 H new ATOM 0 HD2 LYS A 82 2.259 -7.940 -2.910 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.009 -9.137 -2.634 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.888 -9.938 -2.254 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.120 -8.953 -1.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.830 -11.223 -0.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 1.313 -10.649 -0.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.236 -11.627 -1.981 1.00 0.00 H new ATOM 1234 N LEU A 83 3.810 -9.580 -7.465 1.00 0.00 N ATOM 1235 CA LEU A 83 4.686 -10.529 -8.140 1.00 0.00 C ATOM 1236 C LEU A 83 5.925 -10.805 -7.295 1.00 0.00 C ATOM 1237 O LEU A 83 6.780 -9.935 -7.126 1.00 0.00 O ATOM 1238 CB LEU A 83 5.096 -9.992 -9.512 1.00 0.00 C ATOM 1239 CG LEU A 83 4.140 -10.338 -10.656 1.00 0.00 C ATOM 1240 CD1 LEU A 83 2.838 -9.567 -10.512 1.00 0.00 C ATOM 1241 CD2 LEU A 83 4.791 -10.047 -11.999 1.00 0.00 C ATOM 0 H LEU A 83 4.284 -8.743 -7.124 1.00 0.00 H new ATOM 0 HA LEU A 83 4.141 -11.463 -8.277 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.185 -8.907 -9.449 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.085 -10.379 -9.756 1.00 0.00 H new ATOM 0 HG LEU A 83 3.914 -11.403 -10.609 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.170 -9.825 -11.334 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.365 -9.826 -9.565 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.044 -8.497 -10.534 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.098 -10.299 -12.802 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.046 -8.989 -12.058 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.697 -10.645 -12.101 1.00 0.00 H new ATOM 1253 N GLY A 84 6.009 -12.016 -6.756 1.00 0.00 N ATOM 1254 CA GLY A 84 7.144 -12.373 -5.925 1.00 0.00 C ATOM 1255 C GLY A 84 7.739 -13.722 -6.268 1.00 0.00 C ATOM 1256 O GLY A 84 7.180 -14.475 -7.068 1.00 0.00 O ATOM 0 H GLY A 84 5.315 -12.754 -6.879 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.914 -11.608 -6.026 1.00 0.00 H new ATOM 0 HA3 GLY A 84 6.833 -12.376 -4.880 1.00 0.00 H new ATOM 1260 N TYR A 85 8.876 -14.027 -5.652 1.00 0.00 N ATOM 1261 CA TYR A 85 9.560 -15.293 -5.881 1.00 0.00 C ATOM 1262 C TYR A 85 9.831 -16.002 -4.556 1.00 0.00 C ATOM 1263 O TYR A 85 10.225 -15.370 -3.574 1.00 0.00 O ATOM 1264 CB TYR A 85 10.875 -15.061 -6.628 1.00 0.00 C ATOM 1265 CG TYR A 85 10.737 -14.156 -7.831 1.00 0.00 C ATOM 1266 CD1 TYR A 85 10.188 -14.624 -9.017 1.00 0.00 C ATOM 1267 CD2 TYR A 85 11.157 -12.832 -7.779 1.00 0.00 C ATOM 1268 CE1 TYR A 85 10.060 -13.800 -10.119 1.00 0.00 C ATOM 1269 CE2 TYR A 85 11.031 -12.001 -8.877 1.00 0.00 C ATOM 1270 CZ TYR A 85 10.483 -12.490 -10.044 1.00 0.00 C ATOM 1271 OH TYR A 85 10.358 -11.667 -11.139 1.00 0.00 O ATOM 0 H TYR A 85 9.345 -13.411 -4.987 1.00 0.00 H new ATOM 0 HA TYR A 85 8.915 -15.925 -6.491 1.00 0.00 H new ATOM 0 HB2 TYR A 85 11.602 -14.629 -5.941 1.00 0.00 H new ATOM 0 HB3 TYR A 85 11.274 -16.023 -6.951 1.00 0.00 H new ATOM 0 HD1 TYR A 85 9.855 -15.650 -9.080 1.00 0.00 H new ATOM 0 HD2 TYR A 85 11.588 -12.446 -6.867 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.631 -14.180 -11.034 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.360 -10.974 -8.821 1.00 0.00 H new ATOM 0 HH TYR A 85 10.702 -10.776 -10.920 1.00 0.00 H new ATOM 1281 N PRO A 86 9.614 -17.330 -4.504 1.00 0.00 N ATOM 1282 CA PRO A 86 9.828 -18.117 -3.295 1.00 0.00 C ATOM 1283 C PRO A 86 11.275 -18.574 -3.138 1.00 0.00 C ATOM 1284 O PRO A 86 11.705 -19.535 -3.778 1.00 0.00 O ATOM 1285 CB PRO A 86 8.910 -19.315 -3.515 1.00 0.00 C ATOM 1286 CG PRO A 86 8.919 -19.524 -4.991 1.00 0.00 C ATOM 1287 CD PRO A 86 9.131 -18.167 -5.621 1.00 0.00 C ATOM 0 HA PRO A 86 9.620 -17.549 -2.388 1.00 0.00 H new ATOM 0 HB2 PRO A 86 9.274 -20.196 -2.987 1.00 0.00 H new ATOM 0 HB3 PRO A 86 7.903 -19.116 -3.148 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.713 -20.213 -5.279 1.00 0.00 H new ATOM 0 HG3 PRO A 86 7.979 -19.963 -5.325 1.00 0.00 H new ATOM 0 HD2 PRO A 86 9.859 -18.212 -6.431 1.00 0.00 H new ATOM 0 HD3 PRO A 86 8.207 -17.774 -6.044 1.00 0.00 H new ATOM 1295 N ILE A 87 12.018 -17.891 -2.274 1.00 0.00 N ATOM 1296 CA ILE A 87 13.411 -18.242 -2.023 1.00 0.00 C ATOM 1297 C ILE A 87 13.496 -19.383 -1.015 1.00 0.00 C ATOM 1298 O ILE A 87 14.387 -20.229 -1.088 1.00 0.00 O ATOM 1299 CB ILE A 87 14.215 -17.033 -1.503 1.00 0.00 C ATOM 1300 CG1 ILE A 87 15.689 -17.406 -1.332 1.00 0.00 C ATOM 1301 CG2 ILE A 87 13.634 -16.530 -0.190 1.00 0.00 C ATOM 1302 CD1 ILE A 87 16.428 -17.564 -2.642 1.00 0.00 C ATOM 0 H ILE A 87 11.680 -17.093 -1.737 1.00 0.00 H new ATOM 0 HA ILE A 87 13.845 -18.559 -2.971 1.00 0.00 H new ATOM 0 HB ILE A 87 14.146 -16.230 -2.237 1.00 0.00 H new ATOM 0 HG12 ILE A 87 16.183 -16.639 -0.736 1.00 0.00 H new ATOM 0 HG13 ILE A 87 15.757 -18.338 -0.771 1.00 0.00 H new ATOM 0 HG21 ILE A 87 14.214 -15.677 0.162 1.00 0.00 H new ATOM 0 HG22 ILE A 87 12.598 -16.226 -0.343 1.00 0.00 H new ATOM 0 HG23 ILE A 87 13.672 -17.326 0.554 1.00 0.00 H new ATOM 0 HD11 ILE A 87 17.467 -17.828 -2.444 1.00 0.00 H new ATOM 0 HD12 ILE A 87 15.959 -18.352 -3.232 1.00 0.00 H new ATOM 0 HD13 ILE A 87 16.392 -16.626 -3.196 1.00 0.00 H new ATOM 1314 N THR A 88 12.551 -19.398 -0.081 1.00 0.00 N ATOM 1315 CA THR A 88 12.496 -20.432 0.944 1.00 0.00 C ATOM 1316 C THR A 88 11.050 -20.685 1.361 1.00 0.00 C ATOM 1317 O THR A 88 10.163 -19.890 1.050 1.00 0.00 O ATOM 1318 CB THR A 88 13.330 -20.027 2.161 1.00 0.00 C ATOM 1319 OG1 THR A 88 13.317 -18.623 2.332 1.00 0.00 O ATOM 1320 CG2 THR A 88 14.775 -20.467 2.068 1.00 0.00 C ATOM 0 H THR A 88 11.809 -18.701 -0.014 1.00 0.00 H new ATOM 0 HA THR A 88 12.910 -21.351 0.529 1.00 0.00 H new ATOM 0 HB THR A 88 12.868 -20.531 3.010 1.00 0.00 H new ATOM 0 HG1 THR A 88 12.481 -18.258 1.974 1.00 0.00 H new ATOM 0 HG21 THR A 88 15.311 -20.148 2.962 1.00 0.00 H new ATOM 0 HG22 THR A 88 14.820 -21.553 1.986 1.00 0.00 H new ATOM 0 HG23 THR A 88 15.237 -20.017 1.189 1.00 0.00 H new ATOM 1328 N ASP A 89 10.809 -21.791 2.054 1.00 0.00 N ATOM 1329 CA ASP A 89 9.461 -22.131 2.495 1.00 0.00 C ATOM 1330 C ASP A 89 8.940 -21.132 3.524 1.00 0.00 C ATOM 1331 O ASP A 89 7.731 -21.015 3.724 1.00 0.00 O ATOM 1332 CB ASP A 89 9.438 -23.543 3.084 1.00 0.00 C ATOM 1333 CG ASP A 89 8.083 -24.207 2.941 1.00 0.00 C ATOM 1334 OD1 ASP A 89 7.081 -23.616 3.393 1.00 0.00 O ATOM 1335 OD2 ASP A 89 8.024 -25.320 2.377 1.00 0.00 O ATOM 0 H ASP A 89 11.526 -22.466 2.322 1.00 0.00 H new ATOM 0 HA ASP A 89 8.807 -22.091 1.624 1.00 0.00 H new ATOM 0 HB2 ASP A 89 10.193 -24.153 2.588 1.00 0.00 H new ATOM 0 HB3 ASP A 89 9.708 -23.498 4.139 1.00 0.00 H new ATOM 1340 N ASP A 90 9.850 -20.427 4.191 1.00 0.00 N ATOM 1341 CA ASP A 90 9.457 -19.459 5.210 1.00 0.00 C ATOM 1342 C ASP A 90 9.740 -18.023 4.777 1.00 0.00 C ATOM 1343 O ASP A 90 9.069 -17.093 5.224 1.00 0.00 O ATOM 1344 CB ASP A 90 10.185 -19.755 6.523 1.00 0.00 C ATOM 1345 CG ASP A 90 9.427 -20.734 7.398 1.00 0.00 C ATOM 1346 OD1 ASP A 90 8.178 -20.713 7.367 1.00 0.00 O ATOM 1347 OD2 ASP A 90 10.081 -21.521 8.113 1.00 0.00 O ATOM 0 H ASP A 90 10.856 -20.507 4.046 1.00 0.00 H new ATOM 0 HA ASP A 90 8.381 -19.556 5.353 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.174 -20.158 6.304 1.00 0.00 H new ATOM 0 HB3 ASP A 90 10.335 -18.824 7.070 1.00 0.00 H new ATOM 1352 N LEU A 91 10.740 -17.838 3.920 1.00 0.00 N ATOM 1353 CA LEU A 91 11.096 -16.498 3.458 1.00 0.00 C ATOM 1354 C LEU A 91 10.874 -16.342 1.956 1.00 0.00 C ATOM 1355 O LEU A 91 11.353 -17.148 1.158 1.00 0.00 O ATOM 1356 CB LEU A 91 12.555 -16.185 3.800 1.00 0.00 C ATOM 1357 CG LEU A 91 13.077 -16.832 5.085 1.00 0.00 C ATOM 1358 CD1 LEU A 91 14.594 -16.738 5.152 1.00 0.00 C ATOM 1359 CD2 LEU A 91 12.446 -16.176 6.305 1.00 0.00 C ATOM 0 H LEU A 91 11.313 -18.589 3.534 1.00 0.00 H new ATOM 0 HA LEU A 91 10.444 -15.792 3.972 1.00 0.00 H new ATOM 0 HB2 LEU A 91 13.183 -16.507 2.969 1.00 0.00 H new ATOM 0 HB3 LEU A 91 12.668 -15.104 3.885 1.00 0.00 H new ATOM 0 HG LEU A 91 12.799 -17.886 5.078 1.00 0.00 H new ATOM 0 HD11 LEU A 91 14.947 -17.203 6.072 1.00 0.00 H new ATOM 0 HD12 LEU A 91 15.029 -17.253 4.295 1.00 0.00 H new ATOM 0 HD13 LEU A 91 14.895 -15.690 5.136 1.00 0.00 H new ATOM 0 HD21 LEU A 91 12.828 -16.648 7.210 1.00 0.00 H new ATOM 0 HD22 LEU A 91 12.694 -15.115 6.317 1.00 0.00 H new ATOM 0 HD23 LEU A 91 11.363 -16.295 6.263 1.00 0.00 H new ATOM 1371 N ASP A 92 10.138 -15.299 1.584 1.00 0.00 N ATOM 1372 CA ASP A 92 9.846 -15.031 0.179 1.00 0.00 C ATOM 1373 C ASP A 92 10.038 -13.554 -0.151 1.00 0.00 C ATOM 1374 O ASP A 92 10.050 -12.702 0.738 1.00 0.00 O ATOM 1375 CB ASP A 92 8.414 -15.457 -0.154 1.00 0.00 C ATOM 1376 CG ASP A 92 8.094 -16.852 0.347 1.00 0.00 C ATOM 1377 OD1 ASP A 92 7.942 -17.021 1.575 1.00 0.00 O ATOM 1378 OD2 ASP A 92 7.997 -17.774 -0.489 1.00 0.00 O ATOM 0 H ASP A 92 9.733 -14.626 2.235 1.00 0.00 H new ATOM 0 HA ASP A 92 10.544 -15.610 -0.426 1.00 0.00 H new ATOM 0 HB2 ASP A 92 7.715 -14.746 0.287 1.00 0.00 H new ATOM 0 HB3 ASP A 92 8.269 -15.419 -1.234 1.00 0.00 H new ATOM 1383 N ILE A 93 10.169 -13.258 -1.442 1.00 0.00 N ATOM 1384 CA ILE A 93 10.340 -11.886 -1.906 1.00 0.00 C ATOM 1385 C ILE A 93 9.197 -11.504 -2.838 1.00 0.00 C ATOM 1386 O ILE A 93 8.725 -12.331 -3.619 1.00 0.00 O ATOM 1387 CB ILE A 93 11.681 -11.699 -2.645 1.00 0.00 C ATOM 1388 CG1 ILE A 93 11.771 -12.657 -3.834 1.00 0.00 C ATOM 1389 CG2 ILE A 93 12.846 -11.916 -1.691 1.00 0.00 C ATOM 1390 CD1 ILE A 93 13.055 -12.519 -4.623 1.00 0.00 C ATOM 0 H ILE A 93 10.160 -13.954 -2.187 1.00 0.00 H new ATOM 0 HA ILE A 93 10.338 -11.240 -1.028 1.00 0.00 H new ATOM 0 HB ILE A 93 11.732 -10.678 -3.022 1.00 0.00 H new ATOM 0 HG12 ILE A 93 11.684 -13.682 -3.473 1.00 0.00 H new ATOM 0 HG13 ILE A 93 10.925 -12.480 -4.498 1.00 0.00 H new ATOM 0 HG21 ILE A 93 13.785 -11.781 -2.227 1.00 0.00 H new ATOM 0 HG22 ILE A 93 12.787 -11.196 -0.875 1.00 0.00 H new ATOM 0 HG23 ILE A 93 12.802 -12.927 -1.287 1.00 0.00 H new ATOM 0 HD11 ILE A 93 13.051 -13.228 -5.451 1.00 0.00 H new ATOM 0 HD12 ILE A 93 13.134 -11.505 -5.014 1.00 0.00 H new ATOM 0 HD13 ILE A 93 13.905 -12.725 -3.973 1.00 0.00 H new ATOM 1402 N TYR A 94 8.732 -10.261 -2.745 1.00 0.00 N ATOM 1403 CA TYR A 94 7.622 -9.821 -3.582 1.00 0.00 C ATOM 1404 C TYR A 94 7.760 -8.368 -4.025 1.00 0.00 C ATOM 1405 O TYR A 94 8.458 -7.568 -3.404 1.00 0.00 O ATOM 1406 CB TYR A 94 6.299 -10.005 -2.835 1.00 0.00 C ATOM 1407 CG TYR A 94 5.801 -11.431 -2.823 1.00 0.00 C ATOM 1408 CD1 TYR A 94 6.365 -12.378 -1.977 1.00 0.00 C ATOM 1409 CD2 TYR A 94 4.764 -11.832 -3.657 1.00 0.00 C ATOM 1410 CE1 TYR A 94 5.911 -13.684 -1.963 1.00 0.00 C ATOM 1411 CE2 TYR A 94 4.304 -13.135 -3.648 1.00 0.00 C ATOM 1412 CZ TYR A 94 4.880 -14.056 -2.800 1.00 0.00 C ATOM 1413 OH TYR A 94 4.424 -15.355 -2.788 1.00 0.00 O ATOM 0 H TYR A 94 9.099 -9.552 -2.110 1.00 0.00 H new ATOM 0 HA TYR A 94 7.637 -10.439 -4.480 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.422 -9.664 -1.807 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.542 -9.369 -3.293 1.00 0.00 H new ATOM 0 HD1 TYR A 94 7.172 -12.089 -1.319 1.00 0.00 H new ATOM 0 HD2 TYR A 94 4.310 -11.113 -4.323 1.00 0.00 H new ATOM 0 HE1 TYR A 94 6.361 -14.408 -1.300 1.00 0.00 H new ATOM 0 HE2 TYR A 94 3.497 -13.430 -4.302 1.00 0.00 H new ATOM 0 HH TYR A 94 3.453 -15.362 -2.919 1.00 0.00 H new ATOM 1423 N THR A 95 7.052 -8.050 -5.104 1.00 0.00 N ATOM 1424 CA THR A 95 7.032 -6.707 -5.669 1.00 0.00 C ATOM 1425 C THR A 95 5.608 -6.365 -6.093 1.00 0.00 C ATOM 1426 O THR A 95 4.920 -7.197 -6.683 1.00 0.00 O ATOM 1427 CB THR A 95 7.978 -6.612 -6.867 1.00 0.00 C ATOM 1428 OG1 THR A 95 9.066 -7.506 -6.718 1.00 0.00 O ATOM 1429 CG2 THR A 95 8.548 -5.225 -7.072 1.00 0.00 C ATOM 0 H THR A 95 6.474 -8.719 -5.612 1.00 0.00 H new ATOM 0 HA THR A 95 7.370 -5.996 -4.915 1.00 0.00 H new ATOM 0 HB THR A 95 7.371 -6.869 -7.735 1.00 0.00 H new ATOM 0 HG1 THR A 95 9.659 -7.432 -7.495 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.210 -5.228 -7.938 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.735 -4.519 -7.240 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.110 -4.928 -6.186 1.00 0.00 H new ATOM 1437 N ARG A 96 5.156 -5.152 -5.794 1.00 0.00 N ATOM 1438 CA ARG A 96 3.803 -4.743 -6.154 1.00 0.00 C ATOM 1439 C ARG A 96 3.823 -3.586 -7.149 1.00 0.00 C ATOM 1440 O ARG A 96 4.597 -2.641 -7.007 1.00 0.00 O ATOM 1441 CB ARG A 96 3.024 -4.339 -4.900 1.00 0.00 C ATOM 1442 CG ARG A 96 1.967 -5.350 -4.487 1.00 0.00 C ATOM 1443 CD ARG A 96 1.814 -5.415 -2.975 1.00 0.00 C ATOM 1444 NE ARG A 96 1.856 -4.091 -2.358 1.00 0.00 N ATOM 1445 CZ ARG A 96 0.887 -3.185 -2.475 1.00 0.00 C ATOM 1446 NH1 ARG A 96 -0.203 -3.456 -3.183 1.00 0.00 N ATOM 1447 NH2 ARG A 96 1.008 -2.005 -1.882 1.00 0.00 N ATOM 0 H ARG A 96 5.701 -4.440 -5.308 1.00 0.00 H new ATOM 0 HA ARG A 96 3.309 -5.591 -6.628 1.00 0.00 H new ATOM 0 HB2 ARG A 96 3.724 -4.201 -4.076 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.545 -3.376 -5.075 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.012 -5.083 -4.939 1.00 0.00 H new ATOM 0 HG3 ARG A 96 2.236 -6.335 -4.869 1.00 0.00 H new ATOM 0 HD2 ARG A 96 0.869 -5.899 -2.728 1.00 0.00 H new ATOM 0 HD3 ARG A 96 2.608 -6.034 -2.558 1.00 0.00 H new ATOM 0 HE ARG A 96 2.677 -3.846 -1.804 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -0.302 -4.362 -3.641 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -0.942 -2.758 -3.269 1.00 0.00 H new ATOM 0 HH21 ARG A 96 1.843 -1.792 -1.337 1.00 0.00 H new ATOM 0 HH22 ARG A 96 0.266 -1.311 -1.971 1.00 0.00 H new ATOM 1461 N LEU A 97 2.961 -3.674 -8.158 1.00 0.00 N ATOM 1462 CA LEU A 97 2.869 -2.641 -9.182 1.00 0.00 C ATOM 1463 C LEU A 97 1.413 -2.373 -9.550 1.00 0.00 C ATOM 1464 O LEU A 97 0.714 -3.258 -10.043 1.00 0.00 O ATOM 1465 CB LEU A 97 3.654 -3.057 -10.429 1.00 0.00 C ATOM 1466 CG LEU A 97 5.071 -3.568 -10.161 1.00 0.00 C ATOM 1467 CD1 LEU A 97 5.546 -4.447 -11.308 1.00 0.00 C ATOM 1468 CD2 LEU A 97 6.025 -2.403 -9.949 1.00 0.00 C ATOM 0 H LEU A 97 2.315 -4.453 -8.287 1.00 0.00 H new ATOM 0 HA LEU A 97 3.300 -1.724 -8.780 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.095 -3.836 -10.948 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.714 -2.203 -11.104 1.00 0.00 H new ATOM 0 HG LEU A 97 5.055 -4.169 -9.252 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.556 -4.802 -11.101 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.876 -5.300 -11.414 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.547 -3.870 -12.233 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.028 -2.784 -9.760 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.037 -1.776 -10.840 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.694 -1.813 -9.095 1.00 0.00 H new ATOM 1480 N GLY A 98 0.961 -1.149 -9.301 1.00 0.00 N ATOM 1481 CA GLY A 98 -0.411 -0.789 -9.608 1.00 0.00 C ATOM 1482 C GLY A 98 -0.649 0.704 -9.514 1.00 0.00 C ATOM 1483 O GLY A 98 0.210 1.505 -9.887 1.00 0.00 O ATOM 0 H GLY A 98 1.520 -0.400 -8.892 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.658 -1.131 -10.613 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.082 -1.305 -8.922 1.00 0.00 H new ATOM 1487 N GLY A 99 -1.824 1.076 -9.014 1.00 0.00 N ATOM 1488 CA GLY A 99 -2.157 2.480 -8.884 1.00 0.00 C ATOM 1489 C GLY A 99 -2.981 2.783 -7.647 1.00 0.00 C ATOM 1490 O GLY A 99 -3.811 1.976 -7.230 1.00 0.00 O ATOM 0 H GLY A 99 -2.548 0.431 -8.698 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -1.237 3.064 -8.853 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.708 2.800 -9.768 1.00 0.00 H new ATOM 1494 N MET A 100 -2.744 3.952 -7.061 1.00 0.00 N ATOM 1495 CA MET A 100 -3.465 4.365 -5.862 1.00 0.00 C ATOM 1496 C MET A 100 -4.074 5.751 -6.035 1.00 0.00 C ATOM 1497 O MET A 100 -3.360 6.737 -6.225 1.00 0.00 O ATOM 1498 CB MET A 100 -2.532 4.353 -4.649 1.00 0.00 C ATOM 1499 CG MET A 100 -1.362 5.315 -4.769 1.00 0.00 C ATOM 1500 SD MET A 100 -0.173 5.132 -3.427 1.00 0.00 S ATOM 1501 CE MET A 100 -0.628 6.513 -2.381 1.00 0.00 C ATOM 0 H MET A 100 -2.059 4.630 -7.396 1.00 0.00 H new ATOM 0 HA MET A 100 -4.275 3.654 -5.698 1.00 0.00 H new ATOM 0 HB2 MET A 100 -3.107 4.603 -3.757 1.00 0.00 H new ATOM 0 HB3 MET A 100 -2.147 3.343 -4.507 1.00 0.00 H new ATOM 0 HG2 MET A 100 -0.858 5.151 -5.721 1.00 0.00 H new ATOM 0 HG3 MET A 100 -1.737 6.338 -4.780 1.00 0.00 H new ATOM 0 HE1 MET A 100 -0.206 6.370 -1.386 1.00 0.00 H new ATOM 0 HE2 MET A 100 -0.241 7.437 -2.810 1.00 0.00 H new ATOM 0 HE3 MET A 100 -1.714 6.573 -2.309 1.00 0.00 H new ATOM 1842 N PHE A 123 4.491 1.713 -7.111 1.00 0.00 N ATOM 1843 CA PHE A 123 5.094 0.387 -7.041 1.00 0.00 C ATOM 1844 C PHE A 123 5.626 0.108 -5.638 1.00 0.00 C ATOM 1845 O PHE A 123 5.786 1.024 -4.831 1.00 0.00 O ATOM 1846 CB PHE A 123 6.227 0.264 -8.062 1.00 0.00 C ATOM 1847 CG PHE A 123 7.160 1.441 -8.069 1.00 0.00 C ATOM 1848 CD1 PHE A 123 8.232 1.497 -7.193 1.00 0.00 C ATOM 1849 CD2 PHE A 123 6.964 2.491 -8.952 1.00 0.00 C ATOM 1850 CE1 PHE A 123 9.092 2.579 -7.198 1.00 0.00 C ATOM 1851 CE2 PHE A 123 7.821 3.576 -8.961 1.00 0.00 C ATOM 1852 CZ PHE A 123 8.886 3.620 -8.084 1.00 0.00 C ATOM 0 HA PHE A 123 4.324 -0.349 -7.273 1.00 0.00 H new ATOM 0 HB2 PHE A 123 6.798 -0.640 -7.852 1.00 0.00 H new ATOM 0 HB3 PHE A 123 5.797 0.146 -9.057 1.00 0.00 H new ATOM 0 HD1 PHE A 123 8.397 0.686 -6.499 1.00 0.00 H new ATOM 0 HD2 PHE A 123 6.133 2.461 -9.641 1.00 0.00 H new ATOM 0 HE1 PHE A 123 9.924 2.611 -6.510 1.00 0.00 H new ATOM 0 HE2 PHE A 123 7.657 4.388 -9.654 1.00 0.00 H new ATOM 0 HZ PHE A 123 9.557 4.466 -8.090 1.00 0.00 H new ATOM 1862 N ALA A 124 5.898 -1.162 -5.352 1.00 0.00 N ATOM 1863 CA ALA A 124 6.409 -1.556 -4.045 1.00 0.00 C ATOM 1864 C ALA A 124 7.328 -2.768 -4.152 1.00 0.00 C ATOM 1865 O ALA A 124 7.199 -3.580 -5.069 1.00 0.00 O ATOM 1866 CB ALA A 124 5.257 -1.848 -3.096 1.00 0.00 C ATOM 0 H ALA A 124 5.773 -1.934 -6.007 1.00 0.00 H new ATOM 0 HA ALA A 124 6.994 -0.726 -3.648 1.00 0.00 H new ATOM 0 HB1 ALA A 124 5.652 -2.141 -2.123 1.00 0.00 H new ATOM 0 HB2 ALA A 124 4.643 -0.955 -2.984 1.00 0.00 H new ATOM 0 HB3 ALA A 124 4.649 -2.658 -3.500 1.00 0.00 H new ATOM 1872 N GLY A 125 8.254 -2.885 -3.205 1.00 0.00 N ATOM 1873 CA GLY A 125 9.181 -4.001 -3.200 1.00 0.00 C ATOM 1874 C GLY A 125 9.588 -4.398 -1.795 1.00 0.00 C ATOM 1875 O GLY A 125 9.791 -3.537 -0.940 1.00 0.00 O ATOM 0 H GLY A 125 8.379 -2.224 -2.438 1.00 0.00 H new ATOM 0 HA2 GLY A 125 8.722 -4.855 -3.699 1.00 0.00 H new ATOM 0 HA3 GLY A 125 10.070 -3.736 -3.773 1.00 0.00 H new ATOM 1879 N GLY A 126 9.711 -5.700 -1.547 1.00 0.00 N ATOM 1880 CA GLY A 126 10.098 -6.152 -0.225 1.00 0.00 C ATOM 1881 C GLY A 126 10.122 -7.660 -0.088 1.00 0.00 C ATOM 1882 O GLY A 126 10.306 -8.381 -1.070 1.00 0.00 O ATOM 0 H GLY A 126 9.551 -6.441 -2.230 1.00 0.00 H new ATOM 0 HA2 GLY A 126 11.086 -5.757 0.011 1.00 0.00 H new ATOM 0 HA3 GLY A 126 9.406 -5.739 0.509 1.00 0.00 H new ATOM 1886 N VAL A 127 9.938 -8.134 1.140 1.00 0.00 N ATOM 1887 CA VAL A 127 9.943 -9.564 1.416 1.00 0.00 C ATOM 1888 C VAL A 127 8.859 -9.940 2.420 1.00 0.00 C ATOM 1889 O VAL A 127 8.530 -9.165 3.322 1.00 0.00 O ATOM 1890 CB VAL A 127 11.308 -10.025 1.963 1.00 0.00 C ATOM 1891 CG1 VAL A 127 12.391 -9.866 0.906 1.00 0.00 C ATOM 1892 CG2 VAL A 127 11.664 -9.255 3.226 1.00 0.00 C ATOM 0 H VAL A 127 9.784 -7.547 1.960 1.00 0.00 H new ATOM 0 HA VAL A 127 9.746 -10.066 0.468 1.00 0.00 H new ATOM 0 HB VAL A 127 11.238 -11.082 2.218 1.00 0.00 H new ATOM 0 HG11 VAL A 127 13.347 -10.197 1.312 1.00 0.00 H new ATOM 0 HG12 VAL A 127 12.139 -10.469 0.033 1.00 0.00 H new ATOM 0 HG13 VAL A 127 12.464 -8.818 0.614 1.00 0.00 H new ATOM 0 HG21 VAL A 127 12.631 -9.594 3.598 1.00 0.00 H new ATOM 0 HG22 VAL A 127 11.715 -8.190 3.001 1.00 0.00 H new ATOM 0 HG23 VAL A 127 10.902 -9.429 3.985 1.00 0.00 H new ATOM 1902 N GLU A 128 8.312 -11.139 2.256 1.00 0.00 N ATOM 1903 CA GLU A 128 7.268 -11.639 3.143 1.00 0.00 C ATOM 1904 C GLU A 128 7.656 -13.000 3.712 1.00 0.00 C ATOM 1905 O GLU A 128 8.071 -13.897 2.977 1.00 0.00 O ATOM 1906 CB GLU A 128 5.939 -11.745 2.392 1.00 0.00 C ATOM 1907 CG GLU A 128 5.964 -12.749 1.250 1.00 0.00 C ATOM 1908 CD GLU A 128 5.210 -14.023 1.579 1.00 0.00 C ATOM 1909 OE1 GLU A 128 4.086 -13.927 2.115 1.00 0.00 O ATOM 1910 OE2 GLU A 128 5.743 -15.117 1.299 1.00 0.00 O ATOM 0 H GLU A 128 8.576 -11.786 1.513 1.00 0.00 H new ATOM 0 HA GLU A 128 7.152 -10.936 3.968 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.155 -12.027 3.095 1.00 0.00 H new ATOM 0 HB3 GLU A 128 5.675 -10.764 1.997 1.00 0.00 H new ATOM 0 HG2 GLU A 128 5.529 -12.293 0.360 1.00 0.00 H new ATOM 0 HG3 GLU A 128 6.998 -12.995 1.009 1.00 0.00 H new ATOM 1917 N TYR A 129 7.530 -13.142 5.027 1.00 0.00 N ATOM 1918 CA TYR A 129 7.878 -14.392 5.694 1.00 0.00 C ATOM 1919 C TYR A 129 6.747 -14.878 6.595 1.00 0.00 C ATOM 1920 O TYR A 129 5.975 -14.080 7.129 1.00 0.00 O ATOM 1921 CB TYR A 129 9.156 -14.213 6.516 1.00 0.00 C ATOM 1922 CG TYR A 129 9.101 -13.047 7.477 1.00 0.00 C ATOM 1923 CD1 TYR A 129 9.333 -11.750 7.039 1.00 0.00 C ATOM 1924 CD2 TYR A 129 8.818 -13.244 8.822 1.00 0.00 C ATOM 1925 CE1 TYR A 129 9.285 -10.681 7.914 1.00 0.00 C ATOM 1926 CE2 TYR A 129 8.767 -12.181 9.704 1.00 0.00 C ATOM 1927 CZ TYR A 129 9.001 -10.902 9.246 1.00 0.00 C ATOM 1928 OH TYR A 129 8.952 -9.842 10.120 1.00 0.00 O ATOM 0 H TYR A 129 7.191 -12.410 5.651 1.00 0.00 H new ATOM 0 HA TYR A 129 8.044 -15.145 4.923 1.00 0.00 H new ATOM 0 HB2 TYR A 129 9.347 -15.127 7.078 1.00 0.00 H new ATOM 0 HB3 TYR A 129 9.998 -14.074 5.837 1.00 0.00 H new ATOM 0 HD1 TYR A 129 9.555 -11.573 5.997 1.00 0.00 H new ATOM 0 HD2 TYR A 129 8.635 -14.244 9.185 1.00 0.00 H new ATOM 0 HE1 TYR A 129 9.469 -9.678 7.557 1.00 0.00 H new ATOM 0 HE2 TYR A 129 8.545 -12.352 10.747 1.00 0.00 H new ATOM 0 HH TYR A 129 8.739 -10.169 11.019 1.00 0.00 H new ATOM 1938 N ALA A 130 6.662 -16.193 6.763 1.00 0.00 N ATOM 1939 CA ALA A 130 5.635 -16.795 7.604 1.00 0.00 C ATOM 1940 C ALA A 130 6.206 -17.175 8.967 1.00 0.00 C ATOM 1941 O ALA A 130 7.084 -18.032 9.063 1.00 0.00 O ATOM 1942 CB ALA A 130 5.039 -18.016 6.918 1.00 0.00 C ATOM 0 H ALA A 130 7.294 -16.864 6.326 1.00 0.00 H new ATOM 0 HA ALA A 130 4.844 -16.061 7.759 1.00 0.00 H new ATOM 0 HB1 ALA A 130 4.273 -18.455 7.558 1.00 0.00 H new ATOM 0 HB2 ALA A 130 4.592 -17.718 5.969 1.00 0.00 H new ATOM 0 HB3 ALA A 130 5.824 -18.750 6.735 1.00 0.00 H new ATOM 1948 N ILE A 131 5.702 -16.537 10.017 1.00 0.00 N ATOM 1949 CA ILE A 131 6.164 -16.814 11.371 1.00 0.00 C ATOM 1950 C ILE A 131 5.394 -17.980 11.982 1.00 0.00 C ATOM 1951 O ILE A 131 5.962 -18.808 12.695 1.00 0.00 O ATOM 1952 CB ILE A 131 6.013 -15.581 12.282 1.00 0.00 C ATOM 1953 CG1 ILE A 131 6.600 -14.343 11.602 1.00 0.00 C ATOM 1954 CG2 ILE A 131 6.687 -15.827 13.623 1.00 0.00 C ATOM 1955 CD1 ILE A 131 6.389 -13.066 12.386 1.00 0.00 C ATOM 0 H ILE A 131 4.974 -15.825 9.956 1.00 0.00 H new ATOM 0 HA ILE A 131 7.220 -17.073 11.299 1.00 0.00 H new ATOM 0 HB ILE A 131 4.952 -15.406 12.459 1.00 0.00 H new ATOM 0 HG12 ILE A 131 7.669 -14.494 11.450 1.00 0.00 H new ATOM 0 HG13 ILE A 131 6.150 -14.233 10.615 1.00 0.00 H new ATOM 0 HG21 ILE A 131 6.571 -14.947 14.255 1.00 0.00 H new ATOM 0 HG22 ILE A 131 6.226 -16.686 14.110 1.00 0.00 H new ATOM 0 HG23 ILE A 131 7.747 -16.025 13.466 1.00 0.00 H new ATOM 0 HD11 ILE A 131 6.831 -12.229 11.845 1.00 0.00 H new ATOM 0 HD12 ILE A 131 5.321 -12.891 12.516 1.00 0.00 H new ATOM 0 HD13 ILE A 131 6.863 -13.157 13.363 1.00 0.00 H new ATOM 1967 N THR A 132 4.099 -18.036 11.698 1.00 0.00 N ATOM 1968 CA THR A 132 3.246 -19.099 12.218 1.00 0.00 C ATOM 1969 C THR A 132 1.948 -19.195 11.420 1.00 0.00 C ATOM 1970 O THR A 132 1.616 -18.295 10.647 1.00 0.00 O ATOM 1971 CB THR A 132 2.936 -18.861 13.699 1.00 0.00 C ATOM 1972 OG1 THR A 132 3.649 -17.739 14.190 1.00 0.00 O ATOM 1973 CG2 THR A 132 3.284 -20.042 14.578 1.00 0.00 C ATOM 0 H THR A 132 3.615 -17.357 11.110 1.00 0.00 H new ATOM 0 HA THR A 132 3.783 -20.042 12.117 1.00 0.00 H new ATOM 0 HB THR A 132 1.860 -18.695 13.744 1.00 0.00 H new ATOM 0 HG1 THR A 132 3.563 -17.698 15.165 1.00 0.00 H new ATOM 0 HG21 THR A 132 3.040 -19.809 15.614 1.00 0.00 H new ATOM 0 HG22 THR A 132 2.713 -20.914 14.259 1.00 0.00 H new ATOM 0 HG23 THR A 132 4.350 -20.256 14.495 1.00 0.00 H new ATOM 1981 N PRO A 133 1.194 -20.295 11.595 1.00 0.00 N ATOM 1982 CA PRO A 133 -0.072 -20.507 10.885 1.00 0.00 C ATOM 1983 C PRO A 133 -1.060 -19.367 11.100 1.00 0.00 C ATOM 1984 O PRO A 133 -1.193 -18.845 12.207 1.00 0.00 O ATOM 1985 CB PRO A 133 -0.613 -21.804 11.495 1.00 0.00 C ATOM 1986 CG PRO A 133 0.585 -22.501 12.039 1.00 0.00 C ATOM 1987 CD PRO A 133 1.519 -21.416 12.494 1.00 0.00 C ATOM 0 HA PRO A 133 0.074 -20.556 9.806 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -1.340 -21.598 12.280 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -1.118 -22.413 10.745 1.00 0.00 H new ATOM 0 HG2 PRO A 133 0.314 -23.156 12.867 1.00 0.00 H new ATOM 0 HG3 PRO A 133 1.053 -23.126 11.278 1.00 0.00 H new ATOM 0 HD2 PRO A 133 1.354 -21.155 13.539 1.00 0.00 H new ATOM 0 HD3 PRO A 133 2.562 -21.717 12.401 1.00 0.00 H new ATOM 1995 N GLU A 134 -1.766 -18.999 10.035 1.00 0.00 N ATOM 1996 CA GLU A 134 -2.764 -17.935 10.092 1.00 0.00 C ATOM 1997 C GLU A 134 -2.149 -16.575 10.425 1.00 0.00 C ATOM 1998 O GLU A 134 -2.875 -15.618 10.698 1.00 0.00 O ATOM 1999 CB GLU A 134 -3.843 -18.281 11.121 1.00 0.00 C ATOM 2000 CG GLU A 134 -5.018 -19.048 10.536 1.00 0.00 C ATOM 2001 CD GLU A 134 -6.351 -18.578 11.083 1.00 0.00 C ATOM 2002 OE1 GLU A 134 -6.395 -18.154 12.257 1.00 0.00 O ATOM 2003 OE2 GLU A 134 -7.352 -18.634 10.337 1.00 0.00 O ATOM 0 H GLU A 134 -1.664 -19.426 9.114 1.00 0.00 H new ATOM 0 HA GLU A 134 -3.208 -17.859 9.100 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -3.395 -18.872 11.920 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -4.210 -17.360 11.574 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -5.015 -18.938 9.452 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -4.896 -20.110 10.749 1.00 0.00 H new ATOM 2010 N ILE A 135 -0.821 -16.480 10.406 1.00 0.00 N ATOM 2011 CA ILE A 135 -0.161 -15.215 10.712 1.00 0.00 C ATOM 2012 C ILE A 135 1.159 -15.061 9.963 1.00 0.00 C ATOM 2013 O ILE A 135 2.098 -15.831 10.164 1.00 0.00 O ATOM 2014 CB ILE A 135 0.095 -15.057 12.225 1.00 0.00 C ATOM 2015 CG1 ILE A 135 0.791 -16.298 12.787 1.00 0.00 C ATOM 2016 CG2 ILE A 135 -1.215 -14.801 12.955 1.00 0.00 C ATOM 2017 CD1 ILE A 135 1.045 -16.224 14.278 1.00 0.00 C ATOM 0 H ILE A 135 -0.190 -17.251 10.186 1.00 0.00 H new ATOM 0 HA ILE A 135 -0.844 -14.432 10.382 1.00 0.00 H new ATOM 0 HB ILE A 135 0.752 -14.201 12.378 1.00 0.00 H new ATOM 0 HG12 ILE A 135 0.181 -17.175 12.573 1.00 0.00 H new ATOM 0 HG13 ILE A 135 1.741 -16.437 12.271 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -1.021 -14.691 14.022 1.00 0.00 H new ATOM 0 HG22 ILE A 135 -1.672 -13.888 12.573 1.00 0.00 H new ATOM 0 HG23 ILE A 135 -1.892 -15.640 12.793 1.00 0.00 H new ATOM 0 HD11 ILE A 135 1.541 -17.137 14.608 1.00 0.00 H new ATOM 0 HD12 ILE A 135 1.681 -15.366 14.497 1.00 0.00 H new ATOM 0 HD13 ILE A 135 0.096 -16.116 14.804 1.00 0.00 H new ATOM 2029 N ALA A 136 1.215 -14.051 9.101 1.00 0.00 N ATOM 2030 CA ALA A 136 2.411 -13.772 8.315 1.00 0.00 C ATOM 2031 C ALA A 136 2.820 -12.311 8.450 1.00 0.00 C ATOM 2032 O ALA A 136 1.996 -11.455 8.772 1.00 0.00 O ATOM 2033 CB ALA A 136 2.176 -14.125 6.853 1.00 0.00 C ATOM 0 H ALA A 136 0.441 -13.409 8.929 1.00 0.00 H new ATOM 0 HA ALA A 136 3.224 -14.389 8.698 1.00 0.00 H new ATOM 0 HB1 ALA A 136 3.077 -13.912 6.278 1.00 0.00 H new ATOM 0 HB2 ALA A 136 1.934 -15.184 6.769 1.00 0.00 H new ATOM 0 HB3 ALA A 136 1.348 -13.532 6.464 1.00 0.00 H new ATOM 2039 N THR A 137 4.094 -12.024 8.200 1.00 0.00 N ATOM 2040 CA THR A 137 4.599 -10.659 8.295 1.00 0.00 C ATOM 2041 C THR A 137 5.506 -10.340 7.113 1.00 0.00 C ATOM 2042 O THR A 137 6.281 -11.188 6.672 1.00 0.00 O ATOM 2043 CB THR A 137 5.361 -10.464 9.606 1.00 0.00 C ATOM 2044 OG1 THR A 137 4.740 -11.181 10.658 1.00 0.00 O ATOM 2045 CG2 THR A 137 5.456 -9.015 10.032 1.00 0.00 C ATOM 0 H THR A 137 4.793 -12.716 7.931 1.00 0.00 H new ATOM 0 HA THR A 137 3.749 -9.977 8.276 1.00 0.00 H new ATOM 0 HB THR A 137 6.367 -10.837 9.414 1.00 0.00 H new ATOM 0 HG1 THR A 137 5.026 -10.811 11.519 1.00 0.00 H new ATOM 0 HG21 THR A 137 6.008 -8.947 10.969 1.00 0.00 H new ATOM 0 HG22 THR A 137 5.974 -8.443 9.263 1.00 0.00 H new ATOM 0 HG23 THR A 137 4.454 -8.610 10.172 1.00 0.00 H new ATOM 2053 N ARG A 138 5.405 -9.120 6.592 1.00 0.00 N ATOM 2054 CA ARG A 138 6.222 -8.723 5.453 1.00 0.00 C ATOM 2055 C ARG A 138 6.543 -7.234 5.479 1.00 0.00 C ATOM 2056 O ARG A 138 5.756 -6.421 5.965 1.00 0.00 O ATOM 2057 CB ARG A 138 5.508 -9.076 4.146 1.00 0.00 C ATOM 2058 CG ARG A 138 4.223 -8.296 3.923 1.00 0.00 C ATOM 2059 CD ARG A 138 3.380 -8.913 2.820 1.00 0.00 C ATOM 2060 NE ARG A 138 2.752 -10.163 3.244 1.00 0.00 N ATOM 2061 CZ ARG A 138 1.713 -10.717 2.624 1.00 0.00 C ATOM 2062 NH1 ARG A 138 1.183 -10.138 1.555 1.00 0.00 N ATOM 2063 NH2 ARG A 138 1.203 -11.855 3.076 1.00 0.00 N ATOM 0 H ARG A 138 4.773 -8.398 6.937 1.00 0.00 H new ATOM 0 HA ARG A 138 7.163 -9.270 5.516 1.00 0.00 H new ATOM 0 HB2 ARG A 138 6.184 -8.891 3.311 1.00 0.00 H new ATOM 0 HB3 ARG A 138 5.281 -10.142 4.143 1.00 0.00 H new ATOM 0 HG2 ARG A 138 3.648 -8.268 4.849 1.00 0.00 H new ATOM 0 HG3 ARG A 138 4.463 -7.264 3.665 1.00 0.00 H new ATOM 0 HD2 ARG A 138 2.609 -8.206 2.514 1.00 0.00 H new ATOM 0 HD3 ARG A 138 4.006 -9.100 1.947 1.00 0.00 H new ATOM 0 HE ARG A 138 3.132 -10.638 4.063 1.00 0.00 H new ATOM 0 HH11 ARG A 138 1.572 -9.263 1.204 1.00 0.00 H new ATOM 0 HH12 ARG A 138 0.387 -10.568 1.084 1.00 0.00 H new ATOM 0 HH21 ARG A 138 1.607 -12.304 3.898 1.00 0.00 H new ATOM 0 HH22 ARG A 138 0.407 -12.281 2.602 1.00 0.00 H new ATOM 2077 N LEU A 139 7.705 -6.887 4.935 1.00 0.00 N ATOM 2078 CA LEU A 139 8.145 -5.500 4.868 1.00 0.00 C ATOM 2079 C LEU A 139 8.354 -5.094 3.415 1.00 0.00 C ATOM 2080 O LEU A 139 8.827 -5.895 2.608 1.00 0.00 O ATOM 2081 CB LEU A 139 9.441 -5.310 5.661 1.00 0.00 C ATOM 2082 CG LEU A 139 10.649 -6.073 5.116 1.00 0.00 C ATOM 2083 CD1 LEU A 139 11.369 -5.249 4.060 1.00 0.00 C ATOM 2084 CD2 LEU A 139 11.600 -6.440 6.247 1.00 0.00 C ATOM 0 H LEU A 139 8.363 -7.554 4.531 1.00 0.00 H new ATOM 0 HA LEU A 139 7.375 -4.866 5.308 1.00 0.00 H new ATOM 0 HB2 LEU A 139 9.682 -4.247 5.685 1.00 0.00 H new ATOM 0 HB3 LEU A 139 9.268 -5.621 6.691 1.00 0.00 H new ATOM 0 HG LEU A 139 10.295 -6.993 4.651 1.00 0.00 H new ATOM 0 HD11 LEU A 139 12.226 -5.808 3.684 1.00 0.00 H new ATOM 0 HD12 LEU A 139 10.686 -5.035 3.238 1.00 0.00 H new ATOM 0 HD13 LEU A 139 11.712 -4.313 4.500 1.00 0.00 H new ATOM 0 HD21 LEU A 139 12.454 -6.983 5.842 1.00 0.00 H new ATOM 0 HD22 LEU A 139 11.947 -5.532 6.740 1.00 0.00 H new ATOM 0 HD23 LEU A 139 11.080 -7.069 6.970 1.00 0.00 H new ATOM 2096 N GLU A 140 7.992 -3.861 3.077 1.00 0.00 N ATOM 2097 CA GLU A 140 8.141 -3.388 1.706 1.00 0.00 C ATOM 2098 C GLU A 140 8.505 -1.911 1.661 1.00 0.00 C ATOM 2099 O GLU A 140 8.176 -1.148 2.569 1.00 0.00 O ATOM 2100 CB GLU A 140 6.850 -3.628 0.921 1.00 0.00 C ATOM 2101 CG GLU A 140 6.523 -5.099 0.723 1.00 0.00 C ATOM 2102 CD GLU A 140 5.962 -5.390 -0.655 1.00 0.00 C ATOM 2103 OE1 GLU A 140 5.007 -4.699 -1.065 1.00 0.00 O ATOM 2104 OE2 GLU A 140 6.478 -6.311 -1.323 1.00 0.00 O ATOM 0 H GLU A 140 7.598 -3.179 3.725 1.00 0.00 H new ATOM 0 HA GLU A 140 8.954 -3.951 1.248 1.00 0.00 H new ATOM 0 HB2 GLU A 140 6.023 -3.148 1.443 1.00 0.00 H new ATOM 0 HB3 GLU A 140 6.933 -3.148 -0.054 1.00 0.00 H new ATOM 0 HG2 GLU A 140 7.425 -5.692 0.877 1.00 0.00 H new ATOM 0 HG3 GLU A 140 5.802 -5.412 1.478 1.00 0.00 H new ATOM 2111 N TYR A 141 9.191 -1.518 0.593 1.00 0.00 N ATOM 2112 CA TYR A 141 9.608 -0.136 0.415 1.00 0.00 C ATOM 2113 C TYR A 141 9.235 0.373 -0.972 1.00 0.00 C ATOM 2114 O TYR A 141 8.919 -0.409 -1.868 1.00 0.00 O ATOM 2115 CB TYR A 141 11.116 -0.005 0.633 1.00 0.00 C ATOM 2116 CG TYR A 141 11.933 -0.992 -0.171 1.00 0.00 C ATOM 2117 CD1 TYR A 141 12.165 -2.278 0.303 1.00 0.00 C ATOM 2118 CD2 TYR A 141 12.472 -0.639 -1.401 1.00 0.00 C ATOM 2119 CE1 TYR A 141 12.910 -3.183 -0.429 1.00 0.00 C ATOM 2120 CE2 TYR A 141 13.218 -1.538 -2.138 1.00 0.00 C ATOM 2121 CZ TYR A 141 13.434 -2.808 -1.648 1.00 0.00 C ATOM 2122 OH TYR A 141 14.177 -3.707 -2.379 1.00 0.00 O ATOM 0 H TYR A 141 9.470 -2.142 -0.164 1.00 0.00 H new ATOM 0 HA TYR A 141 9.087 0.472 1.155 1.00 0.00 H new ATOM 0 HB2 TYR A 141 11.426 1.007 0.373 1.00 0.00 H new ATOM 0 HB3 TYR A 141 11.335 -0.143 1.692 1.00 0.00 H new ATOM 0 HD1 TYR A 141 11.757 -2.574 1.258 1.00 0.00 H new ATOM 0 HD2 TYR A 141 12.305 0.355 -1.788 1.00 0.00 H new ATOM 0 HE1 TYR A 141 13.081 -4.179 -0.048 1.00 0.00 H new ATOM 0 HE2 TYR A 141 13.630 -1.247 -3.093 1.00 0.00 H new ATOM 0 HH TYR A 141 14.472 -3.286 -3.213 1.00 0.00 H new ATOM 2419 N LEU A 162 9.582 3.281 3.536 1.00 0.00 N ATOM 2420 CA LEU A 162 9.846 2.077 4.320 1.00 0.00 C ATOM 2421 C LEU A 162 8.618 1.710 5.148 1.00 0.00 C ATOM 2422 O LEU A 162 8.177 2.491 5.991 1.00 0.00 O ATOM 2423 CB LEU A 162 11.054 2.288 5.235 1.00 0.00 C ATOM 2424 CG LEU A 162 12.408 1.953 4.608 1.00 0.00 C ATOM 2425 CD1 LEU A 162 13.495 2.851 5.177 1.00 0.00 C ATOM 2426 CD2 LEU A 162 12.750 0.488 4.834 1.00 0.00 C ATOM 0 HA LEU A 162 10.068 1.259 3.635 1.00 0.00 H new ATOM 0 HB2 LEU A 162 11.068 3.329 5.558 1.00 0.00 H new ATOM 0 HB3 LEU A 162 10.924 1.678 6.129 1.00 0.00 H new ATOM 0 HG LEU A 162 12.345 2.130 3.534 1.00 0.00 H new ATOM 0 HD11 LEU A 162 14.452 2.599 4.720 1.00 0.00 H new ATOM 0 HD12 LEU A 162 13.255 3.893 4.964 1.00 0.00 H new ATOM 0 HD13 LEU A 162 13.559 2.706 6.255 1.00 0.00 H new ATOM 0 HD21 LEU A 162 13.717 0.266 4.382 1.00 0.00 H new ATOM 0 HD22 LEU A 162 12.795 0.286 5.904 1.00 0.00 H new ATOM 0 HD23 LEU A 162 11.984 -0.139 4.378 1.00 0.00 H new ATOM 2438 N SER A 163 8.058 0.526 4.899 1.00 0.00 N ATOM 2439 CA SER A 163 6.873 0.089 5.627 1.00 0.00 C ATOM 2440 C SER A 163 6.962 -1.376 6.041 1.00 0.00 C ATOM 2441 O SER A 163 7.698 -2.166 5.448 1.00 0.00 O ATOM 2442 CB SER A 163 5.620 0.311 4.777 1.00 0.00 C ATOM 2443 OG SER A 163 4.445 0.201 5.561 1.00 0.00 O ATOM 0 H SER A 163 8.403 -0.139 4.207 1.00 0.00 H new ATOM 0 HA SER A 163 6.812 0.688 6.536 1.00 0.00 H new ATOM 0 HB2 SER A 163 5.661 1.297 4.314 1.00 0.00 H new ATOM 0 HB3 SER A 163 5.591 -0.420 3.969 1.00 0.00 H new ATOM 0 HG SER A 163 3.804 0.890 5.288 1.00 0.00 H new ATOM 2449 N LEU A 164 6.183 -1.720 7.062 1.00 0.00 N ATOM 2450 CA LEU A 164 6.127 -3.081 7.579 1.00 0.00 C ATOM 2451 C LEU A 164 4.699 -3.412 8.004 1.00 0.00 C ATOM 2452 O LEU A 164 4.072 -2.650 8.743 1.00 0.00 O ATOM 2453 CB LEU A 164 7.081 -3.244 8.764 1.00 0.00 C ATOM 2454 CG LEU A 164 8.566 -3.272 8.402 1.00 0.00 C ATOM 2455 CD1 LEU A 164 9.135 -1.862 8.376 1.00 0.00 C ATOM 2456 CD2 LEU A 164 9.336 -4.142 9.382 1.00 0.00 C ATOM 0 H LEU A 164 5.575 -1.064 7.552 1.00 0.00 H new ATOM 0 HA LEU A 164 6.435 -3.769 6.792 1.00 0.00 H new ATOM 0 HB2 LEU A 164 6.909 -2.426 9.464 1.00 0.00 H new ATOM 0 HB3 LEU A 164 6.833 -4.168 9.286 1.00 0.00 H new ATOM 0 HG LEU A 164 8.670 -3.702 7.406 1.00 0.00 H new ATOM 0 HD11 LEU A 164 10.193 -1.901 8.117 1.00 0.00 H new ATOM 0 HD12 LEU A 164 8.601 -1.268 7.634 1.00 0.00 H new ATOM 0 HD13 LEU A 164 9.019 -1.405 9.359 1.00 0.00 H new ATOM 0 HD21 LEU A 164 10.391 -4.151 9.109 1.00 0.00 H new ATOM 0 HD22 LEU A 164 9.225 -3.741 10.390 1.00 0.00 H new ATOM 0 HD23 LEU A 164 8.945 -5.159 9.351 1.00 0.00 H new ATOM 2468 N GLY A 165 4.180 -4.535 7.521 1.00 0.00 N ATOM 2469 CA GLY A 165 2.823 -4.916 7.862 1.00 0.00 C ATOM 2470 C GLY A 165 2.639 -6.410 8.025 1.00 0.00 C ATOM 2471 O GLY A 165 3.469 -7.203 7.583 1.00 0.00 O ATOM 0 H GLY A 165 4.670 -5.183 6.905 1.00 0.00 H new ATOM 0 HA2 GLY A 165 2.536 -4.419 8.789 1.00 0.00 H new ATOM 0 HA3 GLY A 165 2.147 -4.557 7.086 1.00 0.00 H new ATOM 2475 N VAL A 166 1.533 -6.788 8.657 1.00 0.00 N ATOM 2476 CA VAL A 166 1.217 -8.193 8.874 1.00 0.00 C ATOM 2477 C VAL A 166 0.113 -8.635 7.923 1.00 0.00 C ATOM 2478 O VAL A 166 -0.771 -7.848 7.586 1.00 0.00 O ATOM 2479 CB VAL A 166 0.769 -8.452 10.326 1.00 0.00 C ATOM 2480 CG1 VAL A 166 0.636 -9.943 10.591 1.00 0.00 C ATOM 2481 CG2 VAL A 166 1.741 -7.813 11.306 1.00 0.00 C ATOM 0 H VAL A 166 0.840 -6.139 9.028 1.00 0.00 H new ATOM 0 HA VAL A 166 2.123 -8.768 8.683 1.00 0.00 H new ATOM 0 HB VAL A 166 -0.210 -7.995 10.469 1.00 0.00 H new ATOM 0 HG11 VAL A 166 0.319 -10.103 11.622 1.00 0.00 H new ATOM 0 HG12 VAL A 166 -0.104 -10.368 9.914 1.00 0.00 H new ATOM 0 HG13 VAL A 166 1.598 -10.429 10.428 1.00 0.00 H new ATOM 0 HG21 VAL A 166 1.409 -8.006 12.326 1.00 0.00 H new ATOM 0 HG22 VAL A 166 2.735 -8.237 11.162 1.00 0.00 H new ATOM 0 HG23 VAL A 166 1.777 -6.737 11.134 1.00 0.00 H new ATOM 2491 N SER A 167 0.167 -9.887 7.480 1.00 0.00 N ATOM 2492 CA SER A 167 -0.835 -10.404 6.557 1.00 0.00 C ATOM 2493 C SER A 167 -1.324 -11.787 6.974 1.00 0.00 C ATOM 2494 O SER A 167 -0.556 -12.608 7.476 1.00 0.00 O ATOM 2495 CB SER A 167 -0.265 -10.462 5.138 1.00 0.00 C ATOM 2496 OG SER A 167 -0.490 -9.245 4.448 1.00 0.00 O ATOM 0 H SER A 167 0.889 -10.558 7.743 1.00 0.00 H new ATOM 0 HA SER A 167 -1.687 -9.724 6.580 1.00 0.00 H new ATOM 0 HB2 SER A 167 0.805 -10.667 5.181 1.00 0.00 H new ATOM 0 HB3 SER A 167 -0.726 -11.284 4.591 1.00 0.00 H new ATOM 0 HG SER A 167 0.049 -8.534 4.854 1.00 0.00 H new ATOM 2502 N TYR A 168 -2.612 -12.033 6.756 1.00 0.00 N ATOM 2503 CA TYR A 168 -3.218 -13.313 7.101 1.00 0.00 C ATOM 2504 C TYR A 168 -3.604 -14.083 5.843 1.00 0.00 C ATOM 2505 O TYR A 168 -4.227 -13.536 4.931 1.00 0.00 O ATOM 2506 CB TYR A 168 -4.452 -13.097 7.979 1.00 0.00 C ATOM 2507 CG TYR A 168 -4.145 -12.436 9.305 1.00 0.00 C ATOM 2508 CD1 TYR A 168 -3.711 -11.118 9.361 1.00 0.00 C ATOM 2509 CD2 TYR A 168 -4.289 -13.131 10.498 1.00 0.00 C ATOM 2510 CE1 TYR A 168 -3.428 -10.511 10.570 1.00 0.00 C ATOM 2511 CE2 TYR A 168 -4.009 -12.531 11.712 1.00 0.00 C ATOM 2512 CZ TYR A 168 -3.579 -11.221 11.741 1.00 0.00 C ATOM 2513 OH TYR A 168 -3.300 -10.620 12.947 1.00 0.00 O ATOM 0 H TYR A 168 -3.257 -11.361 6.341 1.00 0.00 H new ATOM 0 HA TYR A 168 -2.485 -13.898 7.656 1.00 0.00 H new ATOM 0 HB2 TYR A 168 -5.171 -12.485 7.435 1.00 0.00 H new ATOM 0 HB3 TYR A 168 -4.929 -14.060 8.164 1.00 0.00 H new ATOM 0 HD1 TYR A 168 -3.593 -10.558 8.445 1.00 0.00 H new ATOM 0 HD2 TYR A 168 -4.625 -14.157 10.478 1.00 0.00 H new ATOM 0 HE1 TYR A 168 -3.090 -9.486 10.597 1.00 0.00 H new ATOM 0 HE2 TYR A 168 -4.126 -13.085 12.632 1.00 0.00 H new ATOM 0 HH TYR A 168 -3.459 -11.257 13.675 1.00 0.00 H new ATOM 2523 N ARG A 169 -3.223 -15.357 5.801 1.00 0.00 N ATOM 2524 CA ARG A 169 -3.522 -16.209 4.656 1.00 0.00 C ATOM 2525 C ARG A 169 -4.611 -17.221 4.993 1.00 0.00 C ATOM 2526 O ARG A 169 -4.446 -18.054 5.884 1.00 0.00 O ATOM 2527 CB ARG A 169 -2.258 -16.938 4.195 1.00 0.00 C ATOM 2528 CG ARG A 169 -1.590 -17.751 5.294 1.00 0.00 C ATOM 2529 CD ARG A 169 -1.541 -19.230 4.946 1.00 0.00 C ATOM 2530 NE ARG A 169 -1.749 -20.077 6.119 1.00 0.00 N ATOM 2531 CZ ARG A 169 -1.413 -21.363 6.175 1.00 0.00 C ATOM 2532 NH1 ARG A 169 -0.855 -21.956 5.126 1.00 0.00 N ATOM 2533 NH2 ARG A 169 -1.636 -22.059 7.281 1.00 0.00 N ATOM 0 H ARG A 169 -2.706 -15.821 6.548 1.00 0.00 H new ATOM 0 HA ARG A 169 -3.885 -15.572 3.849 1.00 0.00 H new ATOM 0 HB2 ARG A 169 -2.512 -17.600 3.367 1.00 0.00 H new ATOM 0 HB3 ARG A 169 -1.546 -16.207 3.811 1.00 0.00 H new ATOM 0 HG2 ARG A 169 -0.578 -17.381 5.456 1.00 0.00 H new ATOM 0 HG3 ARG A 169 -2.133 -17.615 6.229 1.00 0.00 H new ATOM 0 HD2 ARG A 169 -2.303 -19.452 4.199 1.00 0.00 H new ATOM 0 HD3 ARG A 169 -0.576 -19.465 4.496 1.00 0.00 H new ATOM 0 HE ARG A 169 -2.177 -19.657 6.944 1.00 0.00 H new ATOM 0 HH11 ARG A 169 -0.682 -21.425 4.272 1.00 0.00 H new ATOM 0 HH12 ARG A 169 -0.599 -22.942 5.174 1.00 0.00 H new ATOM 0 HH21 ARG A 169 -2.065 -21.609 8.089 1.00 0.00 H new ATOM 0 HH22 ARG A 169 -1.378 -23.045 7.324 1.00 0.00 H new ATOM 2547 N PHE A 170 -5.727 -17.142 4.273 1.00 0.00 N ATOM 2548 CA PHE A 170 -6.846 -18.051 4.494 1.00 0.00 C ATOM 2549 C PHE A 170 -6.664 -19.342 3.703 1.00 0.00 C ATOM 2550 O PHE A 170 -5.835 -19.414 2.795 1.00 0.00 O ATOM 2551 CB PHE A 170 -8.162 -17.378 4.100 1.00 0.00 C ATOM 2552 CG PHE A 170 -8.527 -16.216 4.978 1.00 0.00 C ATOM 2553 CD1 PHE A 170 -8.907 -16.417 6.295 1.00 0.00 C ATOM 2554 CD2 PHE A 170 -8.492 -14.920 4.486 1.00 0.00 C ATOM 2555 CE1 PHE A 170 -9.244 -15.349 7.105 1.00 0.00 C ATOM 2556 CE2 PHE A 170 -8.828 -13.849 5.291 1.00 0.00 C ATOM 2557 CZ PHE A 170 -9.204 -14.063 6.602 1.00 0.00 C ATOM 0 H PHE A 170 -5.880 -16.458 3.532 1.00 0.00 H new ATOM 0 HA PHE A 170 -6.876 -18.299 5.555 1.00 0.00 H new ATOM 0 HB2 PHE A 170 -8.091 -17.035 3.068 1.00 0.00 H new ATOM 0 HB3 PHE A 170 -8.963 -18.116 4.136 1.00 0.00 H new ATOM 0 HD1 PHE A 170 -8.940 -17.420 6.694 1.00 0.00 H new ATOM 0 HD2 PHE A 170 -8.199 -14.746 3.461 1.00 0.00 H new ATOM 0 HE1 PHE A 170 -9.538 -15.520 8.130 1.00 0.00 H new ATOM 0 HE2 PHE A 170 -8.797 -12.845 4.895 1.00 0.00 H new ATOM 0 HZ PHE A 170 -9.466 -13.227 7.233 1.00 0.00 H new