USER MOD reduce.3.24.130724 H: found=0, std=0, add=1155, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1158 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -171:sc=-0.00475 (180deg=-0.096) USER MOD Single : A 9 THR OG1 : rot 75:sc= -4.54! USER MOD Single : A 18 LYS NZ :NH3+ -147:sc= -0.274 (180deg=-2.06!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -146:sc= -1.49! USER MOD Single : A 45 GLN : amide:sc= -0.433 K(o=-0.43,f=-1.5) USER MOD Single : A 48 ASN : amide:sc= 0.164 X(o=0.16,f=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -2.57! C(o=-2.6!,f=-4.6!) USER MOD Single : A 56 SER OG : rot 48:sc= -0.14 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ -156:sc= -0.14 (180deg=-0.975) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0.0143 USER MOD Single : A 80 HIS : no HD1:sc= -0.366 X(o=-0.37,f=-0.025) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : B 109 THR OG1 : rot 76:sc= -3.99! USER MOD Single : B 118 LYS NZ :NH3+ -136:sc= -0.282 (180deg=-2.08!) USER MOD Single : B 125 SER OG : rot 180:sc= 0 USER MOD Single : B 138 THR OG1 : rot -144:sc= -1.94! USER MOD Single : B 145 GLN : amide:sc= -0.459 K(o=-0.46,f=-1.6) USER MOD Single : B 148 ASN : amide:sc= 0.165 X(o=0.17,f=0) USER MOD Single : B 149 TYR OH : rot 180:sc= 0 USER MOD Single : B 152 SER OG : rot 180:sc= 0 USER MOD Single : B 155 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 156 SER OG : rot 45:sc= -0.113 USER MOD Single : B 158 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 159 LYS NZ :NH3+ -153:sc= -0.469 (180deg=-1.74!) USER MOD Single : B 163 SER OG : rot 180:sc= 0 USER MOD Single : B 175 SER OG : rot 180:sc= 0.012 USER MOD Single : B 180 HIS : no HD1:sc= -0.38 X(o=-0.38,f=-0.063) USER MOD Single : B 192 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 24.892 32.706 -0.647 1.00 9.95 N ATOM 2 CA ALA A 1 25.264 33.926 -1.429 1.00 9.34 C ATOM 3 C ALA A 1 24.083 34.488 -2.221 1.00 8.30 C ATOM 4 O ALA A 1 23.997 35.698 -2.446 1.00 8.16 O ATOM 5 CB ALA A 1 26.421 33.627 -2.371 1.00 9.73 C ATOM 0 H1 ALA A 1 25.674 32.450 -0.011 1.00 9.95 H new ATOM 0 H2 ALA A 1 24.039 32.900 -0.085 1.00 9.95 H new ATOM 0 H3 ALA A 1 24.705 31.919 -1.300 1.00 9.95 H new ATOM 0 HA ALA A 1 25.570 34.683 -0.707 1.00 9.34 H new ATOM 0 HB1 ALA A 1 26.676 34.527 -2.931 1.00 9.73 H new ATOM 0 HB2 ALA A 1 27.286 33.301 -1.793 1.00 9.73 H new ATOM 0 HB3 ALA A 1 26.131 32.838 -3.065 1.00 9.73 H new ATOM 13 N VAL A 2 23.165 33.619 -2.625 1.00 7.83 N ATOM 14 CA VAL A 2 21.992 34.026 -3.371 1.00 7.06 C ATOM 15 C VAL A 2 21.040 32.856 -3.546 1.00 5.87 C ATOM 16 O VAL A 2 21.365 31.708 -3.240 1.00 5.74 O ATOM 17 CB VAL A 2 22.345 34.560 -4.776 1.00 7.48 C ATOM 18 CG1 VAL A 2 22.551 36.067 -4.751 1.00 8.02 C ATOM 19 CG2 VAL A 2 23.564 33.844 -5.345 1.00 7.83 C ATOM 0 H VAL A 2 23.217 32.617 -2.443 1.00 7.83 H new ATOM 0 HA VAL A 2 21.526 34.825 -2.794 1.00 7.06 H new ATOM 0 HB VAL A 2 21.502 34.351 -5.435 1.00 7.48 H new ATOM 0 HG11 VAL A 2 22.798 36.417 -5.753 1.00 8.02 H new ATOM 0 HG12 VAL A 2 21.636 36.554 -4.412 1.00 8.02 H new ATOM 0 HG13 VAL A 2 23.366 36.312 -4.070 1.00 8.02 H new ATOM 0 HG21 VAL A 2 23.790 34.240 -6.335 1.00 7.83 H new ATOM 0 HG22 VAL A 2 24.419 34.002 -4.687 1.00 7.83 H new ATOM 0 HG23 VAL A 2 23.357 32.777 -5.420 1.00 7.83 H new ATOM 29 N LEU A 3 19.865 33.166 -4.064 1.00 5.32 N ATOM 30 CA LEU A 3 18.850 32.169 -4.314 1.00 4.36 C ATOM 31 C LEU A 3 19.154 31.419 -5.611 1.00 4.03 C ATOM 32 O LEU A 3 19.603 31.992 -6.604 1.00 4.40 O ATOM 33 CB LEU A 3 17.474 32.843 -4.390 1.00 4.40 C ATOM 34 CG LEU A 3 16.843 33.257 -3.044 1.00 5.00 C ATOM 35 CD1 LEU A 3 16.455 32.050 -2.217 1.00 5.26 C ATOM 36 CD2 LEU A 3 17.753 34.176 -2.239 1.00 5.86 C ATOM 0 H LEU A 3 19.592 34.115 -4.321 1.00 5.32 H new ATOM 0 HA LEU A 3 18.845 31.448 -3.496 1.00 4.36 H new ATOM 0 HB2 LEU A 3 17.562 33.732 -5.015 1.00 4.40 H new ATOM 0 HB3 LEU A 3 16.787 32.164 -4.896 1.00 4.40 H new ATOM 0 HG LEU A 3 15.939 33.815 -3.288 1.00 5.00 H new ATOM 0 HD11 LEU A 3 16.014 32.380 -1.276 1.00 5.26 H new ATOM 0 HD12 LEU A 3 15.730 31.450 -2.767 1.00 5.26 H new ATOM 0 HD13 LEU A 3 17.341 31.450 -2.011 1.00 5.26 H new ATOM 0 HD21 LEU A 3 17.265 34.440 -1.301 1.00 5.86 H new ATOM 0 HD22 LEU A 3 18.692 33.665 -2.029 1.00 5.86 H new ATOM 0 HD23 LEU A 3 17.953 35.082 -2.811 1.00 5.86 H new ATOM 48 N ASP A 4 18.822 30.150 -5.582 1.00 3.91 N ATOM 49 CA ASP A 4 18.923 29.240 -6.695 1.00 4.19 C ATOM 50 C ASP A 4 17.507 29.110 -7.236 1.00 3.97 C ATOM 51 O ASP A 4 16.848 28.071 -7.193 1.00 4.06 O ATOM 52 CB ASP A 4 19.532 27.899 -6.283 1.00 4.92 C ATOM 53 CG ASP A 4 21.017 27.843 -6.607 1.00 5.74 C ATOM 54 OD1 ASP A 4 21.364 27.416 -7.728 1.00 6.22 O ATOM 55 OD2 ASP A 4 21.830 28.236 -5.744 1.00 6.19 O ATOM 0 H ASP A 4 18.457 29.704 -4.740 1.00 3.91 H new ATOM 0 HA ASP A 4 19.599 29.611 -7.465 1.00 4.19 H new ATOM 0 HB2 ASP A 4 19.385 27.743 -5.214 1.00 4.92 H new ATOM 0 HB3 ASP A 4 19.015 27.089 -6.797 1.00 4.92 H new ATOM 60 N LEU A 5 17.130 30.262 -7.814 1.00 4.28 N ATOM 61 CA LEU A 5 15.936 30.540 -8.467 1.00 4.71 C ATOM 62 C LEU A 5 16.272 31.715 -9.431 1.00 5.46 C ATOM 63 O LEU A 5 17.384 31.828 -9.942 1.00 6.27 O ATOM 64 CB LEU A 5 14.912 30.938 -7.429 1.00 5.36 C ATOM 65 CG LEU A 5 13.493 30.373 -7.641 1.00 6.10 C ATOM 66 CD1 LEU A 5 12.644 30.611 -6.417 1.00 5.79 C ATOM 67 CD2 LEU A 5 12.799 30.947 -8.872 1.00 7.09 C ATOM 0 H LEU A 5 17.749 31.073 -7.809 1.00 4.28 H new ATOM 0 HA LEU A 5 15.525 29.696 -9.022 1.00 4.71 H new ATOM 0 HB2 LEU A 5 15.269 30.616 -6.451 1.00 5.36 H new ATOM 0 HB3 LEU A 5 14.850 32.026 -7.404 1.00 5.36 H new ATOM 0 HG LEU A 5 13.609 29.302 -7.810 1.00 6.10 H new ATOM 0 HD11 LEU A 5 11.645 30.206 -6.583 1.00 5.79 H new ATOM 0 HD12 LEU A 5 13.098 30.117 -5.558 1.00 5.79 H new ATOM 0 HD13 LEU A 5 12.574 31.682 -6.225 1.00 5.79 H new ATOM 0 HD21 LEU A 5 11.805 30.510 -8.966 1.00 7.09 H new ATOM 0 HD22 LEU A 5 12.712 32.029 -8.769 1.00 7.09 H new ATOM 0 HD23 LEU A 5 13.384 30.713 -9.762 1.00 7.09 H new ATOM 79 N ASP A 6 15.292 32.558 -9.626 1.00 5.46 N ATOM 80 CA ASP A 6 15.385 33.774 -10.491 1.00 6.41 C ATOM 81 C ASP A 6 14.381 34.919 -10.044 1.00 6.28 C ATOM 82 O ASP A 6 14.476 36.087 -10.427 1.00 6.48 O ATOM 83 CB ASP A 6 15.127 33.260 -11.883 1.00 7.20 C ATOM 84 CG ASP A 6 15.666 34.161 -12.974 1.00 8.21 C ATOM 85 OD1 ASP A 6 14.989 35.155 -13.310 1.00 8.78 O ATOM 86 OD2 ASP A 6 16.759 33.865 -13.502 1.00 8.64 O ATOM 0 H ASP A 6 14.376 32.444 -9.193 1.00 5.46 H new ATOM 0 HA ASP A 6 16.358 34.260 -10.419 1.00 6.41 H new ATOM 0 HB2 ASP A 6 15.576 32.272 -11.985 1.00 7.20 H new ATOM 0 HB3 ASP A 6 14.053 33.138 -12.022 1.00 7.20 H new ATOM 91 N VAL A 7 13.554 34.484 -9.125 1.00 6.22 N ATOM 92 CA VAL A 7 12.593 35.166 -8.366 1.00 6.28 C ATOM 93 C VAL A 7 12.454 34.328 -7.125 1.00 5.52 C ATOM 94 O VAL A 7 12.178 33.131 -7.226 1.00 5.69 O ATOM 95 CB VAL A 7 11.263 35.261 -9.080 1.00 7.22 C ATOM 96 CG1 VAL A 7 11.368 36.262 -10.201 1.00 7.36 C ATOM 97 CG2 VAL A 7 10.804 33.901 -9.588 1.00 7.51 C ATOM 0 H VAL A 7 13.561 33.495 -8.875 1.00 6.22 H new ATOM 0 HA VAL A 7 12.893 36.195 -8.168 1.00 6.28 H new ATOM 0 HB VAL A 7 10.507 35.602 -8.373 1.00 7.22 H new ATOM 0 HG11 VAL A 7 10.410 36.332 -10.717 1.00 7.36 H new ATOM 0 HG12 VAL A 7 11.633 37.238 -9.794 1.00 7.36 H new ATOM 0 HG13 VAL A 7 12.137 35.941 -10.904 1.00 7.36 H new ATOM 0 HG21 VAL A 7 9.845 34.007 -10.096 1.00 7.51 H new ATOM 0 HG22 VAL A 7 11.542 33.505 -10.285 1.00 7.51 H new ATOM 0 HG23 VAL A 7 10.696 33.216 -8.747 1.00 7.51 H new ATOM 107 N ARG A 8 12.607 34.929 -5.955 1.00 5.09 N ATOM 108 CA ARG A 8 12.463 34.171 -4.798 1.00 4.80 C ATOM 109 C ARG A 8 11.028 33.970 -4.627 1.00 4.48 C ATOM 110 O ARG A 8 10.347 34.898 -4.172 1.00 4.96 O ATOM 111 CB ARG A 8 12.982 34.945 -3.590 1.00 5.24 C ATOM 112 CG ARG A 8 14.457 35.272 -3.642 1.00 6.15 C ATOM 113 CD ARG A 8 14.784 36.363 -4.654 1.00 6.93 C ATOM 114 NE ARG A 8 14.106 37.630 -4.372 1.00 7.61 N ATOM 115 CZ ARG A 8 14.684 38.653 -3.742 1.00 8.32 C ATOM 116 NH1 ARG A 8 15.912 38.532 -3.252 1.00 8.49 N ATOM 117 NH2 ARG A 8 14.033 39.800 -3.598 1.00 9.08 N ATOM 0 H ARG A 8 12.825 35.916 -5.818 1.00 5.09 H new ATOM 0 HA ARG A 8 13.016 33.235 -4.877 1.00 4.80 H new ATOM 0 HB2 ARG A 8 12.420 35.874 -3.501 1.00 5.24 H new ATOM 0 HB3 ARG A 8 12.783 34.364 -2.689 1.00 5.24 H new ATOM 0 HG2 ARG A 8 14.790 35.588 -2.653 1.00 6.15 H new ATOM 0 HG3 ARG A 8 15.016 34.370 -3.893 1.00 6.15 H new ATOM 0 HD2 ARG A 8 15.861 36.529 -4.665 1.00 6.93 H new ATOM 0 HD3 ARG A 8 14.504 36.022 -5.651 1.00 6.93 H new ATOM 0 HE ARG A 8 13.138 37.736 -4.674 1.00 7.61 H new ATOM 0 HH11 ARG A 8 16.418 37.653 -3.357 1.00 8.49 H new ATOM 0 HH12 ARG A 8 16.349 39.318 -2.771 1.00 8.49 H new ATOM 0 HH21 ARG A 8 13.088 39.900 -3.970 1.00 9.08 H new ATOM 0 HH22 ARG A 8 14.477 40.581 -3.116 1.00 9.08 H new ATOM 131 N THR A 9 10.538 32.781 -4.827 1.00 4.05 N ATOM 132 CA THR A 9 9.202 32.649 -4.460 1.00 4.08 C ATOM 133 C THR A 9 9.304 31.842 -3.223 1.00 3.18 C ATOM 134 O THR A 9 9.435 30.620 -3.254 1.00 3.47 O ATOM 135 CB THR A 9 8.429 31.975 -5.574 1.00 4.95 C ATOM 136 OG1 THR A 9 9.273 31.102 -6.308 1.00 5.55 O ATOM 137 CG2 THR A 9 7.835 32.975 -6.546 1.00 5.66 C ATOM 0 H THR A 9 11.013 31.964 -5.211 1.00 4.05 H new ATOM 0 HA THR A 9 8.663 33.581 -4.289 1.00 4.08 H new ATOM 0 HB THR A 9 7.622 31.421 -5.095 1.00 4.95 H new ATOM 0 HG1 THR A 9 9.435 30.288 -5.786 1.00 5.55 H new ATOM 0 HG21 THR A 9 7.290 32.444 -7.327 1.00 5.66 H new ATOM 0 HG22 THR A 9 7.153 33.638 -6.014 1.00 5.66 H new ATOM 0 HG23 THR A 9 8.634 33.563 -6.997 1.00 5.66 H new ATOM 145 N CYS A 10 9.253 32.533 -2.132 1.00 2.54 N ATOM 146 CA CYS A 10 9.349 31.855 -0.849 1.00 1.93 C ATOM 147 C CYS A 10 8.017 31.210 -0.415 1.00 1.72 C ATOM 148 O CYS A 10 7.455 31.598 0.612 1.00 1.97 O ATOM 149 CB CYS A 10 9.952 32.757 0.218 1.00 2.28 C ATOM 150 SG CYS A 10 11.754 32.995 -0.004 1.00 2.68 S ATOM 0 H CYS A 10 9.148 33.546 -2.085 1.00 2.54 H new ATOM 0 HA CYS A 10 10.041 31.023 -0.979 1.00 1.93 H new ATOM 0 HB2 CYS A 10 9.455 33.727 0.193 1.00 2.28 H new ATOM 0 HB3 CYS A 10 9.764 32.327 1.202 1.00 2.28 H new ATOM 155 N LEU A 11 7.496 30.265 -1.201 1.00 1.49 N ATOM 156 CA LEU A 11 6.207 29.598 -0.897 1.00 1.39 C ATOM 157 C LEU A 11 5.918 29.475 0.606 1.00 1.20 C ATOM 158 O LEU A 11 6.796 29.122 1.386 1.00 1.16 O ATOM 159 CB LEU A 11 6.155 28.217 -1.538 1.00 1.55 C ATOM 160 CG LEU A 11 5.764 28.222 -3.011 1.00 1.91 C ATOM 161 CD1 LEU A 11 6.998 28.334 -3.881 1.00 2.48 C ATOM 162 CD2 LEU A 11 4.967 26.975 -3.376 1.00 2.29 C ATOM 0 H LEU A 11 7.941 29.937 -2.058 1.00 1.49 H new ATOM 0 HA LEU A 11 5.434 30.240 -1.319 1.00 1.39 H new ATOM 0 HB2 LEU A 11 7.132 27.745 -1.435 1.00 1.55 H new ATOM 0 HB3 LEU A 11 5.444 27.601 -0.988 1.00 1.55 H new ATOM 0 HG LEU A 11 5.127 29.089 -3.188 1.00 1.91 H new ATOM 0 HD11 LEU A 11 6.704 28.336 -4.931 1.00 2.48 H new ATOM 0 HD12 LEU A 11 7.524 29.260 -3.649 1.00 2.48 H new ATOM 0 HD13 LEU A 11 7.656 27.486 -3.690 1.00 2.48 H new ATOM 0 HD21 LEU A 11 4.703 27.008 -4.433 1.00 2.29 H new ATOM 0 HD22 LEU A 11 5.569 26.088 -3.180 1.00 2.29 H new ATOM 0 HD23 LEU A 11 4.058 26.936 -2.776 1.00 2.29 H new ATOM 174 N PRO A 12 4.672 29.784 1.028 1.00 1.19 N ATOM 175 CA PRO A 12 4.263 29.741 2.430 1.00 1.11 C ATOM 176 C PRO A 12 3.536 28.472 2.885 1.00 1.01 C ATOM 177 O PRO A 12 2.458 28.144 2.383 1.00 1.05 O ATOM 178 CB PRO A 12 3.284 30.903 2.479 1.00 1.29 C ATOM 179 CG PRO A 12 2.580 30.839 1.162 1.00 1.49 C ATOM 180 CD PRO A 12 3.564 30.249 0.175 1.00 1.39 C ATOM 0 HA PRO A 12 5.134 29.777 3.084 1.00 1.11 H new ATOM 0 HB2 PRO A 12 2.586 30.802 3.310 1.00 1.29 H new ATOM 0 HB3 PRO A 12 3.800 31.854 2.610 1.00 1.29 H new ATOM 0 HG2 PRO A 12 1.684 30.223 1.231 1.00 1.49 H new ATOM 0 HG3 PRO A 12 2.261 31.832 0.845 1.00 1.49 H new ATOM 0 HD2 PRO A 12 3.122 29.429 -0.391 1.00 1.39 H new ATOM 0 HD3 PRO A 12 3.900 30.991 -0.549 1.00 1.39 H new ATOM 188 N CYS A 13 4.171 27.723 3.785 1.00 0.93 N ATOM 189 CA CYS A 13 3.635 26.486 4.287 1.00 0.89 C ATOM 190 C CYS A 13 3.611 26.466 5.828 1.00 0.90 C ATOM 191 O CYS A 13 3.928 27.451 6.495 1.00 1.00 O ATOM 192 CB CYS A 13 4.466 25.325 3.731 1.00 0.82 C ATOM 193 SG CYS A 13 5.671 24.592 4.886 1.00 0.86 S ATOM 0 H CYS A 13 5.078 27.971 4.181 1.00 0.93 H new ATOM 0 HA CYS A 13 2.602 26.384 3.956 1.00 0.89 H new ATOM 0 HB2 CYS A 13 3.785 24.541 3.399 1.00 0.82 H new ATOM 0 HB3 CYS A 13 5.002 25.676 2.849 1.00 0.82 H new ATOM 198 N GLY A 14 3.196 25.314 6.361 1.00 0.91 N ATOM 199 CA GLY A 14 3.082 25.142 7.792 1.00 0.98 C ATOM 200 C GLY A 14 1.879 25.880 8.316 1.00 1.10 C ATOM 201 O GLY A 14 1.191 26.553 7.547 1.00 1.15 O ATOM 0 H GLY A 14 2.936 24.493 5.814 1.00 0.91 H new ATOM 0 HA2 GLY A 14 2.999 24.082 8.032 1.00 0.98 H new ATOM 0 HA3 GLY A 14 3.984 25.510 8.282 1.00 0.98 H new ATOM 205 N PRO A 15 1.628 25.867 9.627 1.00 1.19 N ATOM 206 CA PRO A 15 0.539 26.639 10.208 1.00 1.33 C ATOM 207 C PRO A 15 0.862 28.088 9.949 1.00 1.40 C ATOM 208 O PRO A 15 1.943 28.559 10.290 1.00 1.57 O ATOM 209 CB PRO A 15 0.626 26.296 11.686 1.00 1.46 C ATOM 210 CG PRO A 15 2.070 26.186 11.810 1.00 1.39 C ATOM 211 CD PRO A 15 2.439 25.260 10.684 1.00 1.21 C ATOM 0 HA PRO A 15 -0.458 26.438 9.815 1.00 1.33 H new ATOM 0 HB2 PRO A 15 0.207 27.074 12.324 1.00 1.46 H new ATOM 0 HB3 PRO A 15 0.110 25.368 11.934 1.00 1.46 H new ATOM 0 HG2 PRO A 15 2.558 27.156 11.711 1.00 1.39 H new ATOM 0 HG3 PRO A 15 2.362 25.780 12.778 1.00 1.39 H new ATOM 0 HD2 PRO A 15 3.505 25.272 10.459 1.00 1.21 H new ATOM 0 HD3 PRO A 15 2.167 24.223 10.883 1.00 1.21 H new ATOM 219 N GLY A 16 -0.070 28.803 9.451 1.00 1.34 N ATOM 220 CA GLY A 16 0.094 30.188 9.221 1.00 1.47 C ATOM 221 C GLY A 16 0.992 30.495 8.081 1.00 1.43 C ATOM 222 O GLY A 16 1.180 31.671 7.762 1.00 1.68 O ATOM 0 H GLY A 16 -0.985 28.439 9.186 1.00 1.34 H new ATOM 0 HA2 GLY A 16 -0.882 30.636 9.035 1.00 1.47 H new ATOM 0 HA3 GLY A 16 0.492 30.654 10.123 1.00 1.47 H new ATOM 226 N GLY A 17 1.601 29.482 7.465 1.00 1.28 N ATOM 227 CA GLY A 17 2.467 29.753 6.411 1.00 1.25 C ATOM 228 C GLY A 17 3.802 30.274 6.889 1.00 1.24 C ATOM 229 O GLY A 17 4.454 31.071 6.217 1.00 1.36 O ATOM 0 H GLY A 17 1.488 28.496 7.701 1.00 1.28 H new ATOM 0 HA2 GLY A 17 2.621 28.846 5.827 1.00 1.25 H new ATOM 0 HA3 GLY A 17 2.010 30.486 5.746 1.00 1.25 H new ATOM 233 N LYS A 18 4.273 29.703 7.999 1.00 1.18 N ATOM 234 CA LYS A 18 5.585 29.995 8.530 1.00 1.23 C ATOM 235 C LYS A 18 6.577 28.930 8.096 1.00 1.13 C ATOM 236 O LYS A 18 7.634 28.801 8.718 1.00 1.22 O ATOM 237 CB LYS A 18 5.577 30.041 10.064 1.00 1.28 C ATOM 238 CG LYS A 18 4.197 29.943 10.708 1.00 1.34 C ATOM 239 CD LYS A 18 3.997 30.992 11.793 1.00 1.73 C ATOM 240 CE LYS A 18 4.086 30.387 13.189 1.00 1.91 C ATOM 241 NZ LYS A 18 3.168 29.223 13.356 1.00 2.50 N ATOM 0 H LYS A 18 3.746 29.025 8.549 1.00 1.18 H new ATOM 0 HA LYS A 18 5.876 30.972 8.143 1.00 1.23 H new ATOM 0 HB2 LYS A 18 6.195 29.225 10.440 1.00 1.28 H new ATOM 0 HB3 LYS A 18 6.046 30.971 10.386 1.00 1.28 H new ATOM 0 HG2 LYS A 18 3.431 30.063 9.942 1.00 1.34 H new ATOM 0 HG3 LYS A 18 4.067 28.949 11.136 1.00 1.34 H new ATOM 0 HD2 LYS A 18 4.750 31.773 11.687 1.00 1.73 H new ATOM 0 HD3 LYS A 18 3.025 31.467 11.664 1.00 1.73 H new ATOM 0 HE2 LYS A 18 5.111 30.070 13.382 1.00 1.91 H new ATOM 0 HE3 LYS A 18 3.843 31.149 13.930 1.00 1.91 H new ATOM 0 HZ1 LYS A 18 2.825 29.189 14.337 1.00 2.50 H new ATOM 0 HZ2 LYS A 18 2.359 29.323 12.710 1.00 2.50 H new ATOM 0 HZ3 LYS A 18 3.679 28.344 13.137 1.00 2.50 H new ATOM 255 N GLY A 19 6.330 28.189 7.026 1.00 1.02 N ATOM 256 CA GLY A 19 7.228 27.184 6.507 1.00 0.95 C ATOM 257 C GLY A 19 7.358 27.503 5.024 1.00 0.91 C ATOM 258 O GLY A 19 6.824 28.525 4.603 1.00 1.00 O ATOM 0 H GLY A 19 5.471 28.278 6.483 1.00 1.02 H new ATOM 0 HA2 GLY A 19 8.196 27.224 7.006 1.00 0.95 H new ATOM 0 HA3 GLY A 19 6.830 26.181 6.662 1.00 0.95 H new ATOM 262 N ARG A 20 8.047 26.719 4.209 1.00 0.86 N ATOM 263 CA ARG A 20 8.089 27.021 2.771 1.00 0.86 C ATOM 264 C ARG A 20 7.480 25.820 1.999 1.00 0.80 C ATOM 265 O ARG A 20 7.415 24.727 2.553 1.00 0.78 O ATOM 266 CB ARG A 20 9.517 27.304 2.318 1.00 0.94 C ATOM 267 CG ARG A 20 9.717 28.728 1.817 1.00 1.13 C ATOM 268 CD ARG A 20 10.901 29.399 2.490 1.00 1.55 C ATOM 269 NE ARG A 20 12.159 28.730 2.175 1.00 1.82 N ATOM 270 CZ ARG A 20 13.278 28.897 2.875 1.00 2.25 C ATOM 271 NH1 ARG A 20 13.297 29.710 3.925 1.00 2.59 N ATOM 272 NH2 ARG A 20 14.379 28.248 2.524 1.00 2.92 N ATOM 0 H ARG A 20 8.572 25.893 4.497 1.00 0.86 H new ATOM 0 HA ARG A 20 7.506 27.918 2.563 1.00 0.86 H new ATOM 0 HB2 ARG A 20 10.198 27.119 3.149 1.00 0.94 H new ATOM 0 HB3 ARG A 20 9.785 26.606 1.525 1.00 0.94 H new ATOM 0 HG2 ARG A 20 9.871 28.716 0.738 1.00 1.13 H new ATOM 0 HG3 ARG A 20 8.814 29.310 2.004 1.00 1.13 H new ATOM 0 HD2 ARG A 20 10.955 30.441 2.174 1.00 1.55 H new ATOM 0 HD3 ARG A 20 10.751 29.401 3.570 1.00 1.55 H new ATOM 0 HE ARG A 20 12.182 28.099 1.374 1.00 1.82 H new ATOM 0 HH11 ARG A 20 12.451 30.210 4.198 1.00 2.59 H new ATOM 0 HH12 ARG A 20 14.158 29.834 4.458 1.00 2.59 H new ATOM 0 HH21 ARG A 20 14.367 27.622 1.719 1.00 2.92 H new ATOM 0 HH22 ARG A 20 15.238 28.374 3.059 1.00 2.92 H new ATOM 286 N CYS A 21 7.028 25.990 0.746 1.00 0.82 N ATOM 287 CA CYS A 21 6.441 24.848 0.008 1.00 0.81 C ATOM 288 C CYS A 21 7.361 24.379 -1.119 1.00 0.84 C ATOM 289 O CYS A 21 8.096 25.174 -1.705 1.00 1.04 O ATOM 290 CB CYS A 21 5.060 25.185 -0.581 1.00 0.91 C ATOM 291 SG CYS A 21 3.644 25.012 0.563 1.00 1.10 S ATOM 0 H CYS A 21 7.053 26.871 0.233 1.00 0.82 H new ATOM 0 HA CYS A 21 6.323 24.047 0.737 1.00 0.81 H new ATOM 0 HB2 CYS A 21 5.083 26.211 -0.948 1.00 0.91 H new ATOM 0 HB3 CYS A 21 4.887 24.542 -1.444 1.00 0.91 H new ATOM 296 N PHE A 22 7.311 23.076 -1.415 1.00 0.76 N ATOM 297 CA PHE A 22 8.138 22.485 -2.474 1.00 0.83 C ATOM 298 C PHE A 22 7.292 21.667 -3.450 1.00 0.94 C ATOM 299 O PHE A 22 7.360 21.866 -4.663 1.00 1.43 O ATOM 300 CB PHE A 22 9.219 21.592 -1.862 1.00 0.85 C ATOM 301 CG PHE A 22 10.210 22.353 -1.034 1.00 0.84 C ATOM 302 CD1 PHE A 22 9.870 22.801 0.230 1.00 1.42 C ATOM 303 CD2 PHE A 22 11.472 22.639 -1.528 1.00 1.40 C ATOM 304 CE1 PHE A 22 10.771 23.522 0.990 1.00 1.50 C ATOM 305 CE2 PHE A 22 12.378 23.356 -0.770 1.00 1.51 C ATOM 306 CZ PHE A 22 12.027 23.799 0.489 1.00 1.14 C ATOM 0 H PHE A 22 6.706 22.409 -0.936 1.00 0.76 H new ATOM 0 HA PHE A 22 8.606 23.301 -3.025 1.00 0.83 H new ATOM 0 HB2 PHE A 22 8.745 20.831 -1.242 1.00 0.85 H new ATOM 0 HB3 PHE A 22 9.746 21.070 -2.661 1.00 0.85 H new ATOM 0 HD1 PHE A 22 8.889 22.585 0.627 1.00 1.42 H new ATOM 0 HD2 PHE A 22 11.750 22.299 -2.514 1.00 1.40 H new ATOM 0 HE1 PHE A 22 10.493 23.868 1.974 1.00 1.50 H new ATOM 0 HE2 PHE A 22 13.361 23.570 -1.163 1.00 1.51 H new ATOM 0 HZ PHE A 22 12.734 24.361 1.081 1.00 1.14 H new ATOM 316 N GLY A 23 6.499 20.744 -2.912 1.00 0.83 N ATOM 317 CA GLY A 23 5.654 19.906 -3.747 1.00 0.88 C ATOM 318 C GLY A 23 4.179 20.071 -3.422 1.00 0.88 C ATOM 319 O GLY A 23 3.812 20.963 -2.660 1.00 0.90 O ATOM 0 H GLY A 23 6.426 20.561 -1.911 1.00 0.83 H new ATOM 0 HA2 GLY A 23 5.823 20.153 -4.795 1.00 0.88 H new ATOM 0 HA3 GLY A 23 5.938 18.862 -3.616 1.00 0.88 H new ATOM 323 N PRO A 24 3.301 19.227 -3.994 1.00 1.01 N ATOM 324 CA PRO A 24 1.855 19.305 -3.752 1.00 1.07 C ATOM 325 C PRO A 24 1.472 18.912 -2.324 1.00 0.96 C ATOM 326 O PRO A 24 0.915 19.721 -1.583 1.00 1.03 O ATOM 327 CB PRO A 24 1.255 18.317 -4.764 1.00 1.32 C ATOM 328 CG PRO A 24 2.366 17.981 -5.707 1.00 1.50 C ATOM 329 CD PRO A 24 3.636 18.141 -4.923 1.00 1.24 C ATOM 0 HA PRO A 24 1.487 20.324 -3.870 1.00 1.07 H new ATOM 0 HB2 PRO A 24 0.881 17.423 -4.265 1.00 1.32 H new ATOM 0 HB3 PRO A 24 0.413 18.762 -5.294 1.00 1.32 H new ATOM 0 HG2 PRO A 24 2.265 16.963 -6.082 1.00 1.50 H new ATOM 0 HG3 PRO A 24 2.356 18.643 -6.573 1.00 1.50 H new ATOM 0 HD2 PRO A 24 3.906 17.226 -4.397 1.00 1.24 H new ATOM 0 HD3 PRO A 24 4.479 18.401 -5.564 1.00 1.24 H new ATOM 337 N SER A 25 1.769 17.671 -1.942 1.00 0.97 N ATOM 338 CA SER A 25 1.449 17.187 -0.599 1.00 0.92 C ATOM 339 C SER A 25 2.669 17.271 0.310 1.00 0.78 C ATOM 340 O SER A 25 2.800 16.487 1.245 1.00 0.81 O ATOM 341 CB SER A 25 0.940 15.732 -0.647 1.00 1.12 C ATOM 342 OG SER A 25 -0.475 15.689 -0.576 1.00 1.26 O ATOM 0 H SER A 25 2.229 16.984 -2.540 1.00 0.97 H new ATOM 0 HA SER A 25 0.661 17.824 -0.196 1.00 0.92 H new ATOM 0 HB2 SER A 25 1.277 15.255 -1.567 1.00 1.12 H new ATOM 0 HB3 SER A 25 1.367 15.165 0.180 1.00 1.12 H new ATOM 0 HG SER A 25 -0.776 14.757 -0.610 1.00 1.26 H new ATOM 348 N ILE A 26 3.584 18.195 0.022 1.00 0.70 N ATOM 349 CA ILE A 26 4.786 18.311 0.817 1.00 0.61 C ATOM 350 C ILE A 26 5.227 19.763 1.054 1.00 0.58 C ATOM 351 O ILE A 26 5.522 20.510 0.116 1.00 0.73 O ATOM 352 CB ILE A 26 5.940 17.521 0.178 1.00 0.60 C ATOM 353 CG1 ILE A 26 5.443 16.181 -0.361 1.00 0.79 C ATOM 354 CG2 ILE A 26 7.060 17.340 1.173 1.00 0.74 C ATOM 355 CD1 ILE A 26 6.221 15.685 -1.561 1.00 0.83 C ATOM 0 H ILE A 26 3.511 18.862 -0.747 1.00 0.70 H new ATOM 0 HA ILE A 26 4.538 17.889 1.791 1.00 0.61 H new ATOM 0 HB ILE A 26 6.331 18.087 -0.668 1.00 0.60 H new ATOM 0 HG12 ILE A 26 5.501 15.436 0.432 1.00 0.79 H new ATOM 0 HG13 ILE A 26 4.392 16.276 -0.634 1.00 0.79 H new ATOM 0 HG21 ILE A 26 7.872 16.779 0.709 1.00 0.74 H new ATOM 0 HG22 ILE A 26 7.428 18.316 1.489 1.00 0.74 H new ATOM 0 HG23 ILE A 26 6.691 16.793 2.041 1.00 0.74 H new ATOM 0 HD11 ILE A 26 5.813 14.729 -1.890 1.00 0.83 H new ATOM 0 HD12 ILE A 26 6.143 16.411 -2.371 1.00 0.83 H new ATOM 0 HD13 ILE A 26 7.269 15.558 -1.288 1.00 0.83 H new ATOM 367 N CYS A 27 5.293 20.128 2.330 1.00 0.56 N ATOM 368 CA CYS A 27 5.729 21.456 2.761 1.00 0.56 C ATOM 369 C CYS A 27 6.958 21.273 3.660 1.00 0.55 C ATOM 370 O CYS A 27 7.012 20.294 4.397 1.00 0.59 O ATOM 371 CB CYS A 27 4.574 22.167 3.475 1.00 0.60 C ATOM 372 SG CYS A 27 4.928 22.733 5.167 1.00 0.92 S ATOM 0 H CYS A 27 5.044 19.508 3.101 1.00 0.56 H new ATOM 0 HA CYS A 27 6.008 22.085 1.916 1.00 0.56 H new ATOM 0 HB2 CYS A 27 4.276 23.029 2.877 1.00 0.60 H new ATOM 0 HB3 CYS A 27 3.719 21.491 3.508 1.00 0.60 H new ATOM 377 N CYS A 28 7.972 22.145 3.541 1.00 0.56 N ATOM 378 CA CYS A 28 9.217 21.947 4.300 1.00 0.58 C ATOM 379 C CYS A 28 9.946 23.210 4.832 1.00 0.61 C ATOM 380 O CYS A 28 10.678 23.832 4.065 1.00 0.76 O ATOM 381 CB CYS A 28 10.242 21.278 3.358 1.00 0.65 C ATOM 382 SG CYS A 28 10.832 19.655 3.850 1.00 1.28 S ATOM 0 H CYS A 28 7.958 22.972 2.944 1.00 0.56 H new ATOM 0 HA CYS A 28 8.898 21.374 5.171 1.00 0.58 H new ATOM 0 HB2 CYS A 28 9.793 21.194 2.368 1.00 0.65 H new ATOM 0 HB3 CYS A 28 11.102 21.940 3.262 1.00 0.65 H new ATOM 387 N GLY A 29 9.816 23.596 6.121 1.00 0.62 N ATOM 388 CA GLY A 29 10.569 24.723 6.579 1.00 0.65 C ATOM 389 C GLY A 29 11.757 24.219 7.350 1.00 0.67 C ATOM 390 O GLY A 29 12.014 23.017 7.386 1.00 0.66 O ATOM 0 H GLY A 29 9.217 23.149 6.816 1.00 0.62 H new ATOM 0 HA2 GLY A 29 10.895 25.330 5.734 1.00 0.65 H new ATOM 0 HA3 GLY A 29 9.950 25.361 7.210 1.00 0.65 H new ATOM 394 N ASP A 30 12.476 25.103 7.971 1.00 0.72 N ATOM 395 CA ASP A 30 13.641 24.707 8.720 1.00 0.76 C ATOM 396 C ASP A 30 13.289 23.834 9.914 1.00 0.77 C ATOM 397 O ASP A 30 13.695 22.678 10.002 1.00 0.80 O ATOM 398 CB ASP A 30 14.377 25.964 9.207 1.00 0.84 C ATOM 399 CG ASP A 30 15.822 25.694 9.578 1.00 1.41 C ATOM 400 OD1 ASP A 30 16.593 25.279 8.688 1.00 1.92 O ATOM 401 OD2 ASP A 30 16.184 25.900 10.756 1.00 2.27 O ATOM 0 H ASP A 30 12.281 26.104 7.977 1.00 0.72 H new ATOM 0 HA ASP A 30 14.277 24.118 8.059 1.00 0.76 H new ATOM 0 HB2 ASP A 30 14.343 26.724 8.426 1.00 0.84 H new ATOM 0 HB3 ASP A 30 13.855 26.372 10.072 1.00 0.84 H new ATOM 406 N GLU A 31 12.544 24.406 10.817 1.00 0.78 N ATOM 407 CA GLU A 31 12.150 23.718 12.054 1.00 0.83 C ATOM 408 C GLU A 31 10.714 23.287 12.006 1.00 0.87 C ATOM 409 O GLU A 31 10.089 22.965 13.022 1.00 1.00 O ATOM 410 CB GLU A 31 12.437 24.550 13.305 1.00 0.90 C ATOM 411 CG GLU A 31 13.203 25.835 13.045 1.00 0.99 C ATOM 412 CD GLU A 31 14.264 26.103 14.096 1.00 1.14 C ATOM 413 OE1 GLU A 31 13.897 26.291 15.274 1.00 1.66 O ATOM 414 OE2 GLU A 31 15.461 26.130 13.739 1.00 1.64 O ATOM 0 H GLU A 31 12.185 25.357 10.735 1.00 0.78 H new ATOM 0 HA GLU A 31 12.769 22.823 12.123 1.00 0.83 H new ATOM 0 HB2 GLU A 31 11.491 24.797 13.786 1.00 0.90 H new ATOM 0 HB3 GLU A 31 13.003 23.941 14.009 1.00 0.90 H new ATOM 0 HG2 GLU A 31 13.674 25.781 12.064 1.00 0.99 H new ATOM 0 HG3 GLU A 31 12.504 26.671 13.017 1.00 0.99 H new ATOM 421 N LEU A 32 10.199 23.323 10.813 1.00 0.82 N ATOM 422 CA LEU A 32 8.901 22.960 10.485 1.00 0.88 C ATOM 423 C LEU A 32 9.053 21.746 9.559 1.00 0.82 C ATOM 424 O LEU A 32 8.084 21.072 9.210 1.00 0.90 O ATOM 425 CB LEU A 32 8.297 24.146 9.790 1.00 0.93 C ATOM 426 CG LEU A 32 7.309 24.961 10.622 1.00 1.15 C ATOM 427 CD1 LEU A 32 6.838 26.170 9.843 1.00 1.24 C ATOM 428 CD2 LEU A 32 6.137 24.108 11.059 1.00 1.37 C ATOM 0 H LEU A 32 10.735 23.633 10.003 1.00 0.82 H new ATOM 0 HA LEU A 32 8.260 22.696 11.326 1.00 0.88 H new ATOM 0 HB2 LEU A 32 9.103 24.805 9.466 1.00 0.93 H new ATOM 0 HB3 LEU A 32 7.788 23.798 8.891 1.00 0.93 H new ATOM 0 HG LEU A 32 7.820 25.308 11.520 1.00 1.15 H new ATOM 0 HD11 LEU A 32 6.134 26.741 10.448 1.00 1.24 H new ATOM 0 HD12 LEU A 32 7.694 26.797 9.592 1.00 1.24 H new ATOM 0 HD13 LEU A 32 6.346 25.843 8.927 1.00 1.24 H new ATOM 0 HD21 LEU A 32 5.448 24.712 11.650 1.00 1.37 H new ATOM 0 HD22 LEU A 32 5.620 23.723 10.180 1.00 1.37 H new ATOM 0 HD23 LEU A 32 6.498 23.275 11.662 1.00 1.37 H new ATOM 440 N GLY A 33 10.327 21.448 9.243 1.00 0.73 N ATOM 441 CA GLY A 33 10.669 20.299 8.460 1.00 0.71 C ATOM 442 C GLY A 33 9.781 20.087 7.273 1.00 0.67 C ATOM 443 O GLY A 33 9.620 20.993 6.475 1.00 0.65 O ATOM 0 H GLY A 33 11.128 22.009 9.533 1.00 0.73 H new ATOM 0 HA2 GLY A 33 11.699 20.398 8.118 1.00 0.71 H new ATOM 0 HA3 GLY A 33 10.628 19.414 9.095 1.00 0.71 H new ATOM 447 N CYS A 34 9.202 18.894 7.129 1.00 0.70 N ATOM 448 CA CYS A 34 8.345 18.633 5.991 1.00 0.69 C ATOM 449 C CYS A 34 7.052 17.990 6.360 1.00 0.65 C ATOM 450 O CYS A 34 7.009 16.780 6.603 1.00 0.62 O ATOM 451 CB CYS A 34 9.005 17.710 5.004 1.00 0.73 C ATOM 452 SG CYS A 34 9.280 18.470 3.399 1.00 1.08 S ATOM 0 H CYS A 34 9.312 18.113 7.776 1.00 0.70 H new ATOM 0 HA CYS A 34 8.159 19.618 5.562 1.00 0.69 H new ATOM 0 HB2 CYS A 34 9.960 17.378 5.410 1.00 0.73 H new ATOM 0 HB3 CYS A 34 8.386 16.822 4.877 1.00 0.73 H new ATOM 457 N PHE A 35 5.972 18.735 6.280 1.00 0.68 N ATOM 458 CA PHE A 35 4.708 18.130 6.512 1.00 0.67 C ATOM 459 C PHE A 35 4.394 17.529 5.183 1.00 0.64 C ATOM 460 O PHE A 35 4.110 18.252 4.224 1.00 0.63 O ATOM 461 CB PHE A 35 3.676 19.183 6.916 1.00 0.69 C ATOM 462 CG PHE A 35 4.103 19.954 8.128 1.00 0.73 C ATOM 463 CD1 PHE A 35 3.957 19.407 9.383 1.00 0.98 C ATOM 464 CD2 PHE A 35 4.676 21.203 8.015 1.00 1.16 C ATOM 465 CE1 PHE A 35 4.372 20.081 10.506 1.00 1.21 C ATOM 466 CE2 PHE A 35 5.092 21.890 9.132 1.00 1.38 C ATOM 467 CZ PHE A 35 4.942 21.324 10.383 1.00 1.26 C ATOM 0 H PHE A 35 5.955 19.731 6.062 1.00 0.68 H new ATOM 0 HA PHE A 35 4.704 17.400 7.322 1.00 0.67 H new ATOM 0 HB2 PHE A 35 3.517 19.872 6.086 1.00 0.69 H new ATOM 0 HB3 PHE A 35 2.721 18.697 7.114 1.00 0.69 H new ATOM 0 HD1 PHE A 35 3.508 18.430 9.487 1.00 0.98 H new ATOM 0 HD2 PHE A 35 4.800 21.647 7.038 1.00 1.16 H new ATOM 0 HE1 PHE A 35 4.250 19.635 11.482 1.00 1.21 H new ATOM 0 HE2 PHE A 35 5.535 22.870 9.031 1.00 1.38 H new ATOM 0 HZ PHE A 35 5.272 21.858 11.262 1.00 1.26 H new ATOM 477 N VAL A 36 4.504 16.227 5.084 1.00 0.67 N ATOM 478 CA VAL A 36 4.277 15.616 3.816 1.00 0.68 C ATOM 479 C VAL A 36 2.866 15.090 3.760 1.00 0.71 C ATOM 480 O VAL A 36 2.573 13.921 4.024 1.00 0.74 O ATOM 481 CB VAL A 36 5.341 14.541 3.484 1.00 0.74 C ATOM 482 CG1 VAL A 36 5.334 14.246 1.997 1.00 0.75 C ATOM 483 CG2 VAL A 36 6.742 15.005 3.911 1.00 0.76 C ATOM 0 H VAL A 36 4.743 15.593 5.847 1.00 0.67 H new ATOM 0 HA VAL A 36 4.387 16.369 3.035 1.00 0.68 H new ATOM 0 HB VAL A 36 5.092 13.635 4.036 1.00 0.74 H new ATOM 0 HG11 VAL A 36 6.085 13.489 1.773 1.00 0.75 H new ATOM 0 HG12 VAL A 36 4.350 13.879 1.703 1.00 0.75 H new ATOM 0 HG13 VAL A 36 5.561 15.158 1.444 1.00 0.75 H new ATOM 0 HG21 VAL A 36 7.471 14.232 3.667 1.00 0.76 H new ATOM 0 HG22 VAL A 36 6.997 15.924 3.384 1.00 0.76 H new ATOM 0 HG23 VAL A 36 6.753 15.188 4.985 1.00 0.76 H new ATOM 493 N GLY A 37 1.997 16.013 3.389 1.00 0.71 N ATOM 494 CA GLY A 37 0.575 15.698 3.243 1.00 0.76 C ATOM 495 C GLY A 37 -0.304 16.062 4.438 1.00 0.72 C ATOM 496 O GLY A 37 -0.547 15.232 5.314 1.00 0.81 O ATOM 0 H GLY A 37 2.242 16.982 3.183 1.00 0.71 H new ATOM 0 HA2 GLY A 37 0.194 16.216 2.363 1.00 0.76 H new ATOM 0 HA3 GLY A 37 0.475 14.629 3.052 1.00 0.76 H new ATOM 500 N THR A 38 -0.822 17.290 4.430 1.00 0.68 N ATOM 501 CA THR A 38 -1.724 17.791 5.477 1.00 0.68 C ATOM 502 C THR A 38 -2.179 19.193 5.096 1.00 0.72 C ATOM 503 O THR A 38 -1.679 19.747 4.119 1.00 0.77 O ATOM 504 CB THR A 38 -1.042 17.812 6.861 1.00 0.72 C ATOM 505 OG1 THR A 38 -1.231 19.065 7.500 1.00 0.77 O ATOM 506 CG2 THR A 38 0.450 17.537 6.821 1.00 0.76 C ATOM 0 H THR A 38 -0.629 17.971 3.696 1.00 0.68 H new ATOM 0 HA THR A 38 -2.580 17.120 5.551 1.00 0.68 H new ATOM 0 HB THR A 38 -1.520 17.005 7.416 1.00 0.72 H new ATOM 0 HG1 THR A 38 -0.437 19.284 8.031 1.00 0.77 H new ATOM 0 HG21 THR A 38 0.853 17.570 7.833 1.00 0.76 H new ATOM 0 HG22 THR A 38 0.627 16.551 6.392 1.00 0.76 H new ATOM 0 HG23 THR A 38 0.943 18.293 6.209 1.00 0.76 H new ATOM 514 N ALA A 39 -3.181 19.756 5.767 1.00 0.77 N ATOM 515 CA ALA A 39 -3.705 21.064 5.400 1.00 0.86 C ATOM 516 C ALA A 39 -2.680 22.184 5.303 1.00 0.82 C ATOM 517 O ALA A 39 -2.866 23.102 4.502 1.00 0.86 O ATOM 518 CB ALA A 39 -4.756 21.483 6.422 1.00 1.02 C ATOM 0 H ALA A 39 -3.644 19.325 6.567 1.00 0.77 H new ATOM 0 HA ALA A 39 -4.108 20.932 4.396 1.00 0.86 H new ATOM 0 HB1 ALA A 39 -5.154 22.462 6.154 1.00 1.02 H new ATOM 0 HB2 ALA A 39 -5.565 20.753 6.432 1.00 1.02 H new ATOM 0 HB3 ALA A 39 -4.301 21.534 7.411 1.00 1.02 H new ATOM 524 N GLU A 40 -1.572 22.102 6.026 1.00 0.78 N ATOM 525 CA GLU A 40 -0.571 23.154 5.915 1.00 0.79 C ATOM 526 C GLU A 40 0.033 23.137 4.527 1.00 0.74 C ATOM 527 O GLU A 40 0.706 24.086 4.117 1.00 0.79 O ATOM 528 CB GLU A 40 0.512 23.048 6.988 1.00 0.82 C ATOM 529 CG GLU A 40 1.537 21.969 6.723 1.00 1.25 C ATOM 530 CD GLU A 40 0.950 20.589 6.874 1.00 1.55 C ATOM 531 OE1 GLU A 40 0.360 20.088 5.895 1.00 1.91 O ATOM 532 OE2 GLU A 40 1.064 20.016 7.977 1.00 2.32 O ATOM 0 H GLU A 40 -1.347 21.347 6.674 1.00 0.78 H new ATOM 0 HA GLU A 40 -1.071 24.109 6.080 1.00 0.79 H new ATOM 0 HB2 GLU A 40 1.023 24.007 7.070 1.00 0.82 H new ATOM 0 HB3 GLU A 40 0.038 22.856 7.950 1.00 0.82 H new ATOM 0 HG2 GLU A 40 1.935 22.086 5.715 1.00 1.25 H new ATOM 0 HG3 GLU A 40 2.374 22.085 7.412 1.00 1.25 H new ATOM 539 N ALA A 41 -0.175 22.037 3.805 1.00 0.70 N ATOM 540 CA ALA A 41 0.359 21.889 2.492 1.00 0.71 C ATOM 541 C ALA A 41 -0.591 22.444 1.454 1.00 0.78 C ATOM 542 O ALA A 41 -0.152 22.810 0.382 1.00 0.87 O ATOM 543 CB ALA A 41 0.635 20.415 2.211 1.00 0.77 C ATOM 0 H ALA A 41 -0.719 21.238 4.130 1.00 0.70 H new ATOM 0 HA ALA A 41 1.291 22.451 2.434 1.00 0.71 H new ATOM 0 HB1 ALA A 41 1.043 20.306 1.206 1.00 0.77 H new ATOM 0 HB2 ALA A 41 1.353 20.034 2.937 1.00 0.77 H new ATOM 0 HB3 ALA A 41 -0.294 19.850 2.288 1.00 0.77 H new ATOM 549 N LEU A 42 -1.900 22.527 1.741 1.00 0.81 N ATOM 550 CA LEU A 42 -2.850 23.062 0.761 1.00 0.94 C ATOM 551 C LEU A 42 -2.330 24.333 0.086 1.00 1.05 C ATOM 552 O LEU A 42 -2.475 24.499 -1.123 1.00 1.23 O ATOM 553 CB LEU A 42 -4.197 23.324 1.446 1.00 0.98 C ATOM 554 CG LEU A 42 -5.167 22.136 1.432 1.00 1.02 C ATOM 555 CD1 LEU A 42 -5.784 21.922 2.807 1.00 1.11 C ATOM 556 CD2 LEU A 42 -6.255 22.343 0.388 1.00 1.16 C ATOM 0 H LEU A 42 -2.316 22.236 2.626 1.00 0.81 H new ATOM 0 HA LEU A 42 -2.978 22.319 -0.026 1.00 0.94 H new ATOM 0 HB2 LEU A 42 -4.013 23.612 2.481 1.00 0.98 H new ATOM 0 HB3 LEU A 42 -4.677 24.173 0.959 1.00 0.98 H new ATOM 0 HG LEU A 42 -4.601 21.242 1.169 1.00 1.02 H new ATOM 0 HD11 LEU A 42 -6.468 21.074 2.771 1.00 1.11 H new ATOM 0 HD12 LEU A 42 -4.996 21.722 3.532 1.00 1.11 H new ATOM 0 HD13 LEU A 42 -6.331 22.817 3.104 1.00 1.11 H new ATOM 0 HD21 LEU A 42 -6.932 21.489 0.394 1.00 1.16 H new ATOM 0 HD22 LEU A 42 -6.813 23.251 0.619 1.00 1.16 H new ATOM 0 HD23 LEU A 42 -5.800 22.438 -0.598 1.00 1.16 H new ATOM 568 N ARG A 43 -1.687 25.209 0.855 1.00 1.04 N ATOM 569 CA ARG A 43 -1.107 26.435 0.293 1.00 1.23 C ATOM 570 C ARG A 43 0.017 26.074 -0.691 1.00 1.24 C ATOM 571 O ARG A 43 0.448 26.885 -1.502 1.00 1.46 O ATOM 572 CB ARG A 43 -0.532 27.292 1.426 1.00 1.32 C ATOM 573 CG ARG A 43 -0.269 28.735 1.040 1.00 1.34 C ATOM 574 CD ARG A 43 -1.538 29.427 0.571 1.00 1.50 C ATOM 575 NE ARG A 43 -2.493 29.617 1.663 1.00 1.88 N ATOM 576 CZ ARG A 43 -2.765 30.797 2.222 1.00 2.20 C ATOM 577 NH1 ARG A 43 -2.145 31.898 1.814 1.00 2.39 N ATOM 578 NH2 ARG A 43 -3.659 30.875 3.199 1.00 2.92 N ATOM 0 H ARG A 43 -1.553 25.098 1.860 1.00 1.04 H new ATOM 0 HA ARG A 43 -1.883 26.992 -0.232 1.00 1.23 H new ATOM 0 HB2 ARG A 43 -1.224 27.273 2.268 1.00 1.32 H new ATOM 0 HB3 ARG A 43 0.400 26.843 1.769 1.00 1.32 H new ATOM 0 HG2 ARG A 43 0.145 29.271 1.894 1.00 1.34 H new ATOM 0 HG3 ARG A 43 0.480 28.770 0.248 1.00 1.34 H new ATOM 0 HD2 ARG A 43 -1.285 30.395 0.138 1.00 1.50 H new ATOM 0 HD3 ARG A 43 -2.003 28.836 -0.219 1.00 1.50 H new ATOM 0 HE ARG A 43 -2.981 28.795 2.019 1.00 1.88 H new ATOM 0 HH11 ARG A 43 -1.453 31.846 1.066 1.00 2.39 H new ATOM 0 HH12 ARG A 43 -2.361 32.795 2.248 1.00 2.39 H new ATOM 0 HH21 ARG A 43 -4.137 30.034 3.521 1.00 2.92 H new ATOM 0 HH22 ARG A 43 -3.868 31.776 3.628 1.00 2.92 H new ATOM 592 N CYS A 44 0.376 24.800 -0.647 1.00 1.08 N ATOM 593 CA CYS A 44 1.384 24.267 -1.565 1.00 1.15 C ATOM 594 C CYS A 44 0.808 24.125 -2.982 1.00 1.41 C ATOM 595 O CYS A 44 1.541 23.854 -3.925 1.00 1.57 O ATOM 596 CB CYS A 44 2.002 22.949 -1.087 1.00 1.04 C ATOM 597 SG CYS A 44 3.058 23.065 0.411 1.00 1.28 S ATOM 0 H CYS A 44 -0.009 24.118 0.006 1.00 1.08 H new ATOM 0 HA CYS A 44 2.197 24.992 -1.586 1.00 1.15 H new ATOM 0 HB2 CYS A 44 1.197 22.242 -0.888 1.00 1.04 H new ATOM 0 HB3 CYS A 44 2.598 22.533 -1.899 1.00 1.04 H new ATOM 602 N GLN A 45 -0.506 24.327 -3.122 1.00 1.55 N ATOM 603 CA GLN A 45 -1.170 24.233 -4.427 1.00 1.86 C ATOM 604 C GLN A 45 -0.908 25.468 -5.297 1.00 2.09 C ATOM 605 O GLN A 45 -1.280 25.504 -6.475 1.00 2.35 O ATOM 606 CB GLN A 45 -2.679 24.063 -4.243 1.00 1.97 C ATOM 607 CG GLN A 45 -3.085 22.671 -3.797 1.00 2.40 C ATOM 608 CD GLN A 45 -4.535 22.597 -3.364 1.00 2.73 C ATOM 609 OE1 GLN A 45 -5.005 23.420 -2.578 1.00 3.31 O ATOM 610 NE2 GLN A 45 -5.253 21.607 -3.879 1.00 3.02 N ATOM 0 H GLN A 45 -1.131 24.556 -2.349 1.00 1.55 H new ATOM 0 HA GLN A 45 -0.753 23.363 -4.934 1.00 1.86 H new ATOM 0 HB2 GLN A 45 -3.031 24.787 -3.508 1.00 1.97 H new ATOM 0 HB3 GLN A 45 -3.179 24.294 -5.183 1.00 1.97 H new ATOM 0 HG2 GLN A 45 -2.917 21.969 -4.614 1.00 2.40 H new ATOM 0 HG3 GLN A 45 -2.447 22.358 -2.971 1.00 2.40 H new ATOM 0 HE21 GLN A 45 -4.822 20.948 -4.527 1.00 3.02 H new ATOM 0 HE22 GLN A 45 -6.236 21.505 -3.627 1.00 3.02 H new ATOM 619 N GLU A 46 -0.263 26.481 -4.732 1.00 2.07 N ATOM 620 CA GLU A 46 0.001 27.696 -5.489 1.00 2.35 C ATOM 621 C GLU A 46 1.298 27.577 -6.285 1.00 2.34 C ATOM 622 O GLU A 46 1.696 28.506 -6.992 1.00 2.50 O ATOM 623 CB GLU A 46 0.059 28.899 -4.541 1.00 2.41 C ATOM 624 CG GLU A 46 -1.065 29.900 -4.759 1.00 2.80 C ATOM 625 CD GLU A 46 -2.321 29.563 -3.983 1.00 3.19 C ATOM 626 OE1 GLU A 46 -2.251 29.499 -2.738 1.00 3.69 O ATOM 627 OE2 GLU A 46 -3.378 29.368 -4.619 1.00 3.53 O ATOM 0 H GLU A 46 0.081 26.487 -3.772 1.00 2.07 H new ATOM 0 HA GLU A 46 -0.812 27.843 -6.200 1.00 2.35 H new ATOM 0 HB2 GLU A 46 0.022 28.542 -3.512 1.00 2.41 H new ATOM 0 HB3 GLU A 46 1.016 29.406 -4.668 1.00 2.41 H new ATOM 0 HG2 GLU A 46 -0.721 30.892 -4.468 1.00 2.80 H new ATOM 0 HG3 GLU A 46 -1.303 29.944 -5.822 1.00 2.80 H new ATOM 634 N GLU A 47 1.917 26.400 -6.231 1.00 2.22 N ATOM 635 CA GLU A 47 3.122 26.166 -6.999 1.00 2.31 C ATOM 636 C GLU A 47 2.753 25.765 -8.415 1.00 2.34 C ATOM 637 O GLU A 47 3.626 25.507 -9.245 1.00 2.42 O ATOM 638 CB GLU A 47 3.984 25.089 -6.351 1.00 2.37 C ATOM 639 CG GLU A 47 3.296 23.739 -6.242 1.00 2.96 C ATOM 640 CD GLU A 47 4.163 22.694 -5.565 1.00 3.45 C ATOM 641 OE1 GLU A 47 4.464 22.861 -4.364 1.00 3.99 O ATOM 642 OE2 GLU A 47 4.540 21.712 -6.237 1.00 3.68 O ATOM 0 H GLU A 47 1.604 25.608 -5.670 1.00 2.22 H new ATOM 0 HA GLU A 47 3.703 27.088 -7.024 1.00 2.31 H new ATOM 0 HB2 GLU A 47 4.901 24.974 -6.929 1.00 2.37 H new ATOM 0 HB3 GLU A 47 4.275 25.420 -5.354 1.00 2.37 H new ATOM 0 HG2 GLU A 47 2.367 23.853 -5.683 1.00 2.96 H new ATOM 0 HG3 GLU A 47 3.027 23.391 -7.239 1.00 2.96 H new ATOM 649 N ASN A 48 1.451 25.738 -8.700 1.00 2.53 N ATOM 650 CA ASN A 48 0.997 25.408 -10.031 1.00 2.96 C ATOM 651 C ASN A 48 1.312 26.563 -10.974 1.00 3.29 C ATOM 652 O ASN A 48 1.532 26.357 -12.166 1.00 3.76 O ATOM 653 CB ASN A 48 -0.502 25.109 -10.040 1.00 3.12 C ATOM 654 CG ASN A 48 -0.806 23.631 -9.868 1.00 3.42 C ATOM 655 OD1 ASN A 48 -0.550 22.824 -10.762 1.00 3.86 O ATOM 656 ND2 ASN A 48 -1.356 23.272 -8.714 1.00 3.75 N ATOM 0 H ASN A 48 0.709 25.939 -8.030 1.00 2.53 H new ATOM 0 HA ASN A 48 1.518 24.512 -10.367 1.00 2.96 H new ATOM 0 HB2 ASN A 48 -0.985 25.671 -9.240 1.00 3.12 H new ATOM 0 HB3 ASN A 48 -0.932 25.457 -10.979 1.00 3.12 H new ATOM 0 HD21 ASN A 48 -1.584 22.293 -8.540 1.00 3.75 H new ATOM 0 HD22 ASN A 48 -1.551 23.975 -8.001 1.00 3.75 H new ATOM 663 N TYR A 49 1.344 27.785 -10.426 1.00 3.15 N ATOM 664 CA TYR A 49 1.646 28.975 -11.236 1.00 3.51 C ATOM 665 C TYR A 49 2.929 29.649 -10.760 1.00 3.62 C ATOM 666 O TYR A 49 3.122 30.851 -10.950 1.00 4.04 O ATOM 667 CB TYR A 49 0.470 29.964 -11.208 1.00 3.61 C ATOM 668 CG TYR A 49 0.415 30.849 -9.980 1.00 3.97 C ATOM 669 CD1 TYR A 49 0.103 30.321 -8.738 1.00 4.52 C ATOM 670 CD2 TYR A 49 0.667 32.213 -10.068 1.00 4.19 C ATOM 671 CE1 TYR A 49 0.045 31.124 -7.616 1.00 5.05 C ATOM 672 CE2 TYR A 49 0.610 33.023 -8.949 1.00 4.70 C ATOM 673 CZ TYR A 49 0.299 32.472 -7.725 1.00 5.03 C ATOM 674 OH TYR A 49 0.237 33.271 -6.608 1.00 5.68 O ATOM 0 H TYR A 49 1.167 27.976 -9.440 1.00 3.15 H new ATOM 0 HA TYR A 49 1.797 28.652 -12.266 1.00 3.51 H new ATOM 0 HB2 TYR A 49 0.525 30.598 -12.093 1.00 3.61 H new ATOM 0 HB3 TYR A 49 -0.461 29.402 -11.276 1.00 3.61 H new ATOM 0 HD1 TYR A 49 -0.098 29.264 -8.646 1.00 4.52 H new ATOM 0 HD2 TYR A 49 0.911 32.647 -11.026 1.00 4.19 H new ATOM 0 HE1 TYR A 49 -0.199 30.695 -6.655 1.00 5.05 H new ATOM 0 HE2 TYR A 49 0.808 34.081 -9.034 1.00 4.70 H new ATOM 0 HH TYR A 49 0.444 34.196 -6.856 1.00 5.68 H new ATOM 684 N LEU A 50 3.795 28.867 -10.131 1.00 3.50 N ATOM 685 CA LEU A 50 5.051 29.378 -9.608 1.00 3.67 C ATOM 686 C LEU A 50 6.242 28.558 -10.108 1.00 3.63 C ATOM 687 O LEU A 50 6.150 27.338 -10.235 1.00 3.79 O ATOM 688 CB LEU A 50 4.998 29.350 -8.089 1.00 4.02 C ATOM 689 CG LEU A 50 6.026 30.229 -7.395 1.00 4.66 C ATOM 690 CD1 LEU A 50 5.403 30.891 -6.176 1.00 4.84 C ATOM 691 CD2 LEU A 50 7.252 29.406 -7.022 1.00 5.40 C ATOM 0 H LEU A 50 3.648 27.870 -9.971 1.00 3.50 H new ATOM 0 HA LEU A 50 5.187 30.400 -9.961 1.00 3.67 H new ATOM 0 HB2 LEU A 50 4.003 29.659 -7.769 1.00 4.02 H new ATOM 0 HB3 LEU A 50 5.136 28.322 -7.754 1.00 4.02 H new ATOM 0 HG LEU A 50 6.350 31.017 -8.075 1.00 4.66 H new ATOM 0 HD11 LEU A 50 6.145 31.519 -5.684 1.00 4.84 H new ATOM 0 HD12 LEU A 50 4.558 31.505 -6.487 1.00 4.84 H new ATOM 0 HD13 LEU A 50 5.059 30.124 -5.482 1.00 4.84 H new ATOM 0 HD21 LEU A 50 7.982 30.045 -6.526 1.00 5.40 H new ATOM 0 HD22 LEU A 50 6.958 28.600 -6.349 1.00 5.40 H new ATOM 0 HD23 LEU A 50 7.694 28.983 -7.924 1.00 5.40 H new ATOM 703 N PRO A 51 7.384 29.216 -10.400 1.00 3.88 N ATOM 704 CA PRO A 51 8.584 28.538 -10.885 1.00 4.25 C ATOM 705 C PRO A 51 9.452 27.976 -9.757 1.00 4.32 C ATOM 706 O PRO A 51 10.658 28.218 -9.715 1.00 4.70 O ATOM 707 CB PRO A 51 9.320 29.648 -11.626 1.00 4.88 C ATOM 708 CG PRO A 51 8.960 30.898 -10.894 1.00 4.92 C ATOM 709 CD PRO A 51 7.596 30.674 -10.284 1.00 4.30 C ATOM 0 HA PRO A 51 8.343 27.670 -11.498 1.00 4.25 H new ATOM 0 HB2 PRO A 51 10.397 29.482 -11.619 1.00 4.88 H new ATOM 0 HB3 PRO A 51 9.012 29.698 -12.670 1.00 4.88 H new ATOM 0 HG2 PRO A 51 9.697 31.118 -10.121 1.00 4.92 H new ATOM 0 HG3 PRO A 51 8.944 31.751 -11.572 1.00 4.92 H new ATOM 0 HD2 PRO A 51 7.566 31.000 -9.244 1.00 4.30 H new ATOM 0 HD3 PRO A 51 6.825 31.232 -10.815 1.00 4.30 H new ATOM 717 N SER A 52 8.827 27.223 -8.852 1.00 4.18 N ATOM 718 CA SER A 52 9.526 26.610 -7.716 1.00 4.35 C ATOM 719 C SER A 52 9.851 27.636 -6.632 1.00 3.79 C ATOM 720 O SER A 52 10.024 28.822 -6.915 1.00 3.48 O ATOM 721 CB SER A 52 10.807 25.900 -8.172 1.00 4.83 C ATOM 722 OG SER A 52 10.529 24.600 -8.668 1.00 5.64 O ATOM 0 H SER A 52 7.828 27.020 -8.882 1.00 4.18 H new ATOM 0 HA SER A 52 8.850 25.869 -7.289 1.00 4.35 H new ATOM 0 HB2 SER A 52 11.296 26.490 -8.947 1.00 4.83 H new ATOM 0 HB3 SER A 52 11.504 25.831 -7.337 1.00 4.83 H new ATOM 0 HG SER A 52 11.364 24.173 -8.953 1.00 5.64 H new ATOM 728 N PRO A 53 9.926 27.182 -5.364 1.00 3.98 N ATOM 729 CA PRO A 53 10.215 28.050 -4.214 1.00 3.75 C ATOM 730 C PRO A 53 11.625 28.626 -4.233 1.00 2.89 C ATOM 731 O PRO A 53 12.489 28.162 -4.978 1.00 2.99 O ATOM 732 CB PRO A 53 10.051 27.120 -3.011 1.00 4.57 C ATOM 733 CG PRO A 53 10.288 25.758 -3.561 1.00 5.04 C ATOM 734 CD PRO A 53 9.717 25.784 -4.949 1.00 4.80 C ATOM 0 HA PRO A 53 9.557 28.919 -4.205 1.00 3.75 H new ATOM 0 HB2 PRO A 53 10.765 27.360 -2.223 1.00 4.57 H new ATOM 0 HB3 PRO A 53 9.055 27.205 -2.576 1.00 4.57 H new ATOM 0 HG2 PRO A 53 11.352 25.521 -3.578 1.00 5.04 H new ATOM 0 HG3 PRO A 53 9.802 24.997 -2.950 1.00 5.04 H new ATOM 0 HD2 PRO A 53 10.230 25.085 -5.610 1.00 4.80 H new ATOM 0 HD3 PRO A 53 8.661 25.514 -4.957 1.00 4.80 H new ATOM 742 N CYS A 54 11.842 29.647 -3.404 1.00 2.53 N ATOM 743 CA CYS A 54 13.136 30.314 -3.309 1.00 2.00 C ATOM 744 C CYS A 54 14.239 29.348 -2.865 1.00 2.22 C ATOM 745 O CYS A 54 14.211 28.805 -1.760 1.00 2.72 O ATOM 746 CB CYS A 54 13.035 31.541 -2.382 1.00 2.36 C ATOM 747 SG CYS A 54 12.451 31.196 -0.684 1.00 2.74 S ATOM 0 H CYS A 54 11.129 30.032 -2.784 1.00 2.53 H new ATOM 0 HA CYS A 54 13.416 30.665 -4.302 1.00 2.00 H new ATOM 0 HB2 CYS A 54 14.016 32.011 -2.322 1.00 2.36 H new ATOM 0 HB3 CYS A 54 12.362 32.266 -2.839 1.00 2.36 H new ATOM 752 N GLN A 55 15.208 29.144 -3.764 1.00 2.24 N ATOM 753 CA GLN A 55 16.355 28.240 -3.522 1.00 2.74 C ATOM 754 C GLN A 55 15.944 26.925 -2.846 1.00 2.26 C ATOM 755 O GLN A 55 14.757 26.615 -2.744 1.00 2.47 O ATOM 756 CB GLN A 55 17.427 28.936 -2.685 1.00 3.51 C ATOM 757 CG GLN A 55 17.006 29.210 -1.252 1.00 4.44 C ATOM 758 CD GLN A 55 18.102 29.883 -0.448 1.00 5.23 C ATOM 759 OE1 GLN A 55 17.942 31.005 0.027 1.00 5.71 O ATOM 760 NE2 GLN A 55 19.233 29.204 -0.309 1.00 5.75 N ATOM 0 H GLN A 55 15.226 29.595 -4.679 1.00 2.24 H new ATOM 0 HA GLN A 55 16.760 27.991 -4.503 1.00 2.74 H new ATOM 0 HB2 GLN A 55 18.326 28.319 -2.678 1.00 3.51 H new ATOM 0 HB3 GLN A 55 17.691 29.879 -3.163 1.00 3.51 H new ATOM 0 HG2 GLN A 55 16.118 29.842 -1.251 1.00 4.44 H new ATOM 0 HG3 GLN A 55 16.730 28.272 -0.771 1.00 4.44 H new ATOM 0 HE21 GLN A 55 19.324 28.275 -0.720 1.00 5.75 H new ATOM 0 HE22 GLN A 55 20.012 29.611 0.209 1.00 5.75 H new ATOM 769 N SER A 56 16.939 26.142 -2.392 1.00 2.28 N ATOM 770 CA SER A 56 16.677 24.861 -1.741 1.00 2.07 C ATOM 771 C SER A 56 17.957 24.315 -1.109 1.00 1.82 C ATOM 772 O SER A 56 18.979 24.991 -1.079 1.00 2.22 O ATOM 773 CB SER A 56 16.206 23.842 -2.797 1.00 2.60 C ATOM 774 OG SER A 56 14.803 23.668 -2.783 1.00 3.12 O ATOM 0 H SER A 56 17.928 26.380 -2.467 1.00 2.28 H new ATOM 0 HA SER A 56 15.917 25.012 -0.974 1.00 2.07 H new ATOM 0 HB2 SER A 56 16.519 24.176 -3.786 1.00 2.60 H new ATOM 0 HB3 SER A 56 16.691 22.883 -2.616 1.00 2.60 H new ATOM 0 HG SER A 56 14.365 24.545 -2.781 1.00 3.12 H new ATOM 780 N GLY A 57 17.847 23.161 -0.463 1.00 1.58 N ATOM 781 CA GLY A 57 18.980 22.588 0.229 1.00 1.86 C ATOM 782 C GLY A 57 19.788 21.731 -0.720 1.00 1.68 C ATOM 783 O GLY A 57 19.220 21.068 -1.583 1.00 2.10 O ATOM 0 H GLY A 57 16.989 22.612 -0.407 1.00 1.58 H new ATOM 0 HA2 GLY A 57 19.606 23.381 0.638 1.00 1.86 H new ATOM 0 HA3 GLY A 57 18.636 21.987 1.071 1.00 1.86 H new ATOM 787 N GLN A 58 21.100 21.721 -0.572 1.00 1.37 N ATOM 788 CA GLN A 58 21.918 20.901 -1.450 1.00 1.46 C ATOM 789 C GLN A 58 22.334 19.636 -0.731 1.00 1.08 C ATOM 790 O GLN A 58 23.499 19.433 -0.397 1.00 1.00 O ATOM 791 CB GLN A 58 23.169 21.661 -1.894 1.00 1.97 C ATOM 792 CG GLN A 58 22.908 22.755 -2.914 1.00 2.80 C ATOM 793 CD GLN A 58 23.872 23.915 -2.760 1.00 3.61 C ATOM 794 OE1 GLN A 58 23.504 24.982 -2.271 1.00 3.96 O ATOM 795 NE2 GLN A 58 25.119 23.707 -3.173 1.00 4.36 N ATOM 0 H GLN A 58 21.613 22.256 0.129 1.00 1.37 H new ATOM 0 HA GLN A 58 21.327 20.650 -2.330 1.00 1.46 H new ATOM 0 HB2 GLN A 58 23.641 22.104 -1.017 1.00 1.97 H new ATOM 0 HB3 GLN A 58 23.881 20.951 -2.315 1.00 1.97 H new ATOM 0 HG2 GLN A 58 22.995 22.342 -3.919 1.00 2.80 H new ATOM 0 HG3 GLN A 58 21.885 23.116 -2.805 1.00 2.80 H new ATOM 0 HE21 GLN A 58 25.380 22.806 -3.573 1.00 4.36 H new ATOM 0 HE22 GLN A 58 25.814 24.449 -3.090 1.00 4.36 H new ATOM 804 N LYS A 59 21.385 18.745 -0.604 1.00 1.17 N ATOM 805 CA LYS A 59 21.623 17.452 0.026 1.00 1.13 C ATOM 806 C LYS A 59 20.781 16.448 -0.716 1.00 0.95 C ATOM 807 O LYS A 59 19.912 15.792 -0.156 1.00 0.88 O ATOM 808 CB LYS A 59 21.205 17.485 1.509 1.00 1.54 C ATOM 809 CG LYS A 59 21.372 16.158 2.240 1.00 1.90 C ATOM 810 CD LYS A 59 22.762 15.587 2.034 1.00 2.17 C ATOM 811 CE LYS A 59 23.823 16.482 2.656 1.00 2.82 C ATOM 812 NZ LYS A 59 25.096 15.749 2.895 1.00 3.55 N ATOM 0 H LYS A 59 20.428 18.884 -0.929 1.00 1.17 H new ATOM 0 HA LYS A 59 22.681 17.195 -0.014 1.00 1.13 H new ATOM 0 HB2 LYS A 59 21.793 18.245 2.023 1.00 1.54 H new ATOM 0 HB3 LYS A 59 20.161 17.792 1.573 1.00 1.54 H new ATOM 0 HG2 LYS A 59 21.190 16.301 3.305 1.00 1.90 H new ATOM 0 HG3 LYS A 59 20.628 15.447 1.882 1.00 1.90 H new ATOM 0 HD2 LYS A 59 22.818 14.592 2.475 1.00 2.17 H new ATOM 0 HD3 LYS A 59 22.957 15.474 0.968 1.00 2.17 H new ATOM 0 HE2 LYS A 59 24.011 17.332 2.000 1.00 2.82 H new ATOM 0 HE3 LYS A 59 23.452 16.883 3.599 1.00 2.82 H new ATOM 0 HZ1 LYS A 59 25.631 16.221 3.652 1.00 3.55 H new ATOM 0 HZ2 LYS A 59 24.885 14.771 3.178 1.00 3.55 H new ATOM 0 HZ3 LYS A 59 25.662 15.743 2.023 1.00 3.55 H new ATOM 826 N PRO A 60 21.010 16.365 -2.045 1.00 1.06 N ATOM 827 CA PRO A 60 20.243 15.480 -2.899 1.00 1.15 C ATOM 828 C PRO A 60 20.511 13.996 -2.669 1.00 1.10 C ATOM 829 O PRO A 60 21.294 13.357 -3.368 1.00 1.23 O ATOM 830 CB PRO A 60 20.627 15.903 -4.313 1.00 1.48 C ATOM 831 CG PRO A 60 21.979 16.508 -4.171 1.00 1.54 C ATOM 832 CD PRO A 60 21.991 17.162 -2.815 1.00 1.30 C ATOM 0 HA PRO A 60 19.177 15.575 -2.690 1.00 1.15 H new ATOM 0 HB2 PRO A 60 20.644 15.050 -4.991 1.00 1.48 H new ATOM 0 HB3 PRO A 60 19.913 16.619 -4.720 1.00 1.48 H new ATOM 0 HG2 PRO A 60 22.758 15.749 -4.247 1.00 1.54 H new ATOM 0 HG3 PRO A 60 22.167 17.237 -4.959 1.00 1.54 H new ATOM 0 HD2 PRO A 60 22.981 17.129 -2.361 1.00 1.30 H new ATOM 0 HD3 PRO A 60 21.701 18.211 -2.872 1.00 1.30 H new ATOM 840 N CYS A 61 19.798 13.477 -1.690 1.00 1.08 N ATOM 841 CA CYS A 61 19.826 12.071 -1.317 1.00 1.13 C ATOM 842 C CYS A 61 18.548 11.429 -1.837 1.00 1.36 C ATOM 843 O CYS A 61 17.775 12.088 -2.530 1.00 1.54 O ATOM 844 CB CYS A 61 19.894 11.917 0.208 1.00 1.30 C ATOM 845 SG CYS A 61 18.266 11.838 1.031 1.00 1.59 S ATOM 0 H CYS A 61 19.165 14.033 -1.115 1.00 1.08 H new ATOM 0 HA CYS A 61 20.706 11.591 -1.745 1.00 1.13 H new ATOM 0 HB2 CYS A 61 20.452 11.011 0.445 1.00 1.30 H new ATOM 0 HB3 CYS A 61 20.456 12.755 0.621 1.00 1.30 H new ATOM 850 N GLY A 62 18.330 10.155 -1.546 1.00 1.60 N ATOM 851 CA GLY A 62 17.102 9.536 -2.005 1.00 1.92 C ATOM 852 C GLY A 62 16.991 9.500 -3.505 1.00 2.10 C ATOM 853 O GLY A 62 17.978 9.701 -4.218 1.00 2.43 O ATOM 0 H GLY A 62 18.960 9.553 -1.016 1.00 1.60 H new ATOM 0 HA2 GLY A 62 17.046 8.519 -1.617 1.00 1.92 H new ATOM 0 HA3 GLY A 62 16.251 10.080 -1.595 1.00 1.92 H new ATOM 857 N SER A 63 15.786 9.219 -3.985 1.00 2.43 N ATOM 858 CA SER A 63 15.528 9.129 -5.413 1.00 2.98 C ATOM 859 C SER A 63 15.413 10.521 -6.053 1.00 2.74 C ATOM 860 O SER A 63 14.445 10.810 -6.759 1.00 3.32 O ATOM 861 CB SER A 63 14.230 8.341 -5.634 1.00 3.86 C ATOM 862 OG SER A 63 14.478 7.100 -6.270 1.00 4.11 O ATOM 0 H SER A 63 14.968 9.049 -3.400 1.00 2.43 H new ATOM 0 HA SER A 63 16.365 8.617 -5.888 1.00 2.98 H new ATOM 0 HB2 SER A 63 13.740 8.168 -4.676 1.00 3.86 H new ATOM 0 HB3 SER A 63 13.544 8.931 -6.241 1.00 3.86 H new ATOM 0 HG SER A 63 13.632 6.622 -6.395 1.00 4.11 H new ATOM 868 N GLY A 64 16.420 11.368 -5.817 1.00 2.15 N ATOM 869 CA GLY A 64 16.432 12.700 -6.386 1.00 2.11 C ATOM 870 C GLY A 64 16.059 13.821 -5.415 1.00 1.92 C ATOM 871 O GLY A 64 15.856 14.956 -5.860 1.00 2.21 O ATOM 0 H GLY A 64 17.230 11.147 -5.237 1.00 2.15 H new ATOM 0 HA2 GLY A 64 17.427 12.900 -6.783 1.00 2.11 H new ATOM 0 HA3 GLY A 64 15.741 12.725 -7.229 1.00 2.11 H new ATOM 875 N GLY A 65 15.928 13.546 -4.121 1.00 1.62 N ATOM 876 CA GLY A 65 15.539 14.614 -3.221 1.00 1.62 C ATOM 877 C GLY A 65 16.657 15.201 -2.391 1.00 1.43 C ATOM 878 O GLY A 65 17.515 14.493 -1.873 1.00 1.62 O ATOM 0 H GLY A 65 16.079 12.634 -3.691 1.00 1.62 H new ATOM 0 HA2 GLY A 65 15.086 15.414 -3.807 1.00 1.62 H new ATOM 0 HA3 GLY A 65 14.769 14.237 -2.548 1.00 1.62 H new ATOM 882 N ARG A 66 16.615 16.529 -2.275 1.00 1.17 N ATOM 883 CA ARG A 66 17.583 17.293 -1.503 1.00 1.03 C ATOM 884 C ARG A 66 16.987 17.710 -0.157 1.00 0.94 C ATOM 885 O ARG A 66 15.766 17.808 -0.025 1.00 1.04 O ATOM 886 CB ARG A 66 18.098 18.508 -2.274 1.00 1.10 C ATOM 887 CG ARG A 66 17.012 19.310 -2.976 1.00 1.26 C ATOM 888 CD ARG A 66 16.741 18.804 -4.386 1.00 1.41 C ATOM 889 NE ARG A 66 17.948 18.778 -5.212 1.00 1.78 N ATOM 890 CZ ARG A 66 17.958 19.010 -6.524 1.00 2.30 C ATOM 891 NH1 ARG A 66 16.832 19.303 -7.165 1.00 2.55 N ATOM 892 NH2 ARG A 66 19.099 18.953 -7.196 1.00 3.02 N ATOM 0 H ARG A 66 15.900 17.105 -2.720 1.00 1.17 H new ATOM 0 HA ARG A 66 18.440 16.646 -1.318 1.00 1.03 H new ATOM 0 HB2 ARG A 66 18.629 19.164 -1.584 1.00 1.10 H new ATOM 0 HB3 ARG A 66 18.823 18.173 -3.016 1.00 1.10 H new ATOM 0 HG2 ARG A 66 16.093 19.262 -2.392 1.00 1.26 H new ATOM 0 HG3 ARG A 66 17.308 20.358 -3.019 1.00 1.26 H new ATOM 0 HD2 ARG A 66 16.318 17.801 -4.334 1.00 1.41 H new ATOM 0 HD3 ARG A 66 15.994 19.440 -4.860 1.00 1.41 H new ATOM 0 HE ARG A 66 18.836 18.570 -4.756 1.00 1.78 H new ATOM 0 HH11 ARG A 66 15.951 19.352 -6.653 1.00 2.55 H new ATOM 0 HH12 ARG A 66 16.848 19.479 -8.170 1.00 2.55 H new ATOM 0 HH21 ARG A 66 19.967 18.732 -6.709 1.00 3.02 H new ATOM 0 HH22 ARG A 66 19.109 19.130 -8.200 1.00 3.02 H new ATOM 906 N CYS A 67 17.837 17.934 0.851 1.00 0.87 N ATOM 907 CA CYS A 67 17.360 18.312 2.158 1.00 0.87 C ATOM 908 C CYS A 67 16.513 19.555 2.050 1.00 0.88 C ATOM 909 O CYS A 67 17.022 20.651 1.822 1.00 0.93 O ATOM 910 CB CYS A 67 18.542 18.548 3.116 1.00 0.93 C ATOM 911 SG CYS A 67 18.139 18.433 4.892 1.00 1.52 S ATOM 0 H CYS A 67 18.851 17.857 0.774 1.00 0.87 H new ATOM 0 HA CYS A 67 16.752 17.502 2.561 1.00 0.87 H new ATOM 0 HB2 CYS A 67 19.323 17.822 2.889 1.00 0.93 H new ATOM 0 HB3 CYS A 67 18.958 19.536 2.918 1.00 0.93 H new ATOM 916 N ALA A 68 15.222 19.390 2.245 1.00 0.91 N ATOM 917 CA ALA A 68 14.318 20.529 2.190 1.00 0.98 C ATOM 918 C ALA A 68 14.178 21.080 3.593 1.00 0.98 C ATOM 919 O ALA A 68 13.752 22.211 3.818 1.00 1.07 O ATOM 920 CB ALA A 68 12.978 20.146 1.583 1.00 0.98 C ATOM 0 H ALA A 68 14.776 18.494 2.441 1.00 0.91 H new ATOM 0 HA ALA A 68 14.725 21.302 1.538 1.00 0.98 H new ATOM 0 HB1 ALA A 68 12.327 21.020 1.557 1.00 0.98 H new ATOM 0 HB2 ALA A 68 13.130 19.777 0.569 1.00 0.98 H new ATOM 0 HB3 ALA A 68 12.514 19.366 2.187 1.00 0.98 H new ATOM 926 N ALA A 69 14.564 20.226 4.522 1.00 0.92 N ATOM 927 CA ALA A 69 14.530 20.514 5.951 1.00 0.96 C ATOM 928 C ALA A 69 15.365 19.471 6.696 1.00 0.92 C ATOM 929 O ALA A 69 15.557 18.377 6.182 1.00 0.87 O ATOM 930 CB ALA A 69 13.101 20.489 6.445 1.00 1.00 C ATOM 0 H ALA A 69 14.917 19.294 4.305 1.00 0.92 H new ATOM 0 HA ALA A 69 14.946 21.505 6.135 1.00 0.96 H new ATOM 0 HB1 ALA A 69 13.081 20.705 7.513 1.00 1.00 H new ATOM 0 HB2 ALA A 69 12.519 21.241 5.912 1.00 1.00 H new ATOM 0 HB3 ALA A 69 12.671 19.503 6.266 1.00 1.00 H new ATOM 936 N ALA A 70 15.849 19.822 7.896 1.00 0.98 N ATOM 937 CA ALA A 70 16.681 18.936 8.747 1.00 1.00 C ATOM 938 C ALA A 70 16.597 17.439 8.373 1.00 1.04 C ATOM 939 O ALA A 70 16.641 17.089 7.198 1.00 1.24 O ATOM 940 CB ALA A 70 16.338 19.173 10.217 1.00 1.15 C ATOM 0 H ALA A 70 15.677 20.736 8.314 1.00 0.98 H new ATOM 0 HA ALA A 70 17.722 19.204 8.565 1.00 1.00 H new ATOM 0 HB1 ALA A 70 16.949 18.522 10.843 1.00 1.15 H new ATOM 0 HB2 ALA A 70 16.536 20.214 10.474 1.00 1.15 H new ATOM 0 HB3 ALA A 70 15.284 18.952 10.385 1.00 1.15 H new ATOM 946 N GLY A 71 16.541 16.558 9.374 1.00 1.15 N ATOM 947 CA GLY A 71 16.505 15.107 9.114 1.00 1.27 C ATOM 948 C GLY A 71 15.277 14.719 8.315 1.00 1.21 C ATOM 949 O GLY A 71 14.687 13.667 8.546 1.00 1.28 O ATOM 0 H GLY A 71 16.520 16.813 10.361 1.00 1.15 H new ATOM 0 HA2 GLY A 71 17.403 14.811 8.571 1.00 1.27 H new ATOM 0 HA3 GLY A 71 16.511 14.566 10.060 1.00 1.27 H new ATOM 953 N ILE A 72 15.106 15.395 7.194 1.00 1.12 N ATOM 954 CA ILE A 72 14.135 15.010 6.191 1.00 1.08 C ATOM 955 C ILE A 72 14.621 15.484 4.813 1.00 1.03 C ATOM 956 O ILE A 72 14.467 16.668 4.419 1.00 1.36 O ATOM 957 CB ILE A 72 12.711 15.436 6.521 1.00 1.52 C ATOM 958 CG1 ILE A 72 12.652 16.906 6.815 1.00 1.09 C ATOM 959 CG2 ILE A 72 12.158 14.614 7.673 1.00 2.27 C ATOM 960 CD1 ILE A 72 12.032 17.606 5.667 1.00 0.92 C ATOM 0 H ILE A 72 15.640 16.230 6.954 1.00 1.12 H new ATOM 0 HA ILE A 72 14.069 13.922 6.175 1.00 1.08 H new ATOM 0 HB ILE A 72 12.083 15.248 5.650 1.00 1.52 H new ATOM 0 HG12 ILE A 72 12.074 17.085 7.721 1.00 1.09 H new ATOM 0 HG13 ILE A 72 13.655 17.294 6.995 1.00 1.09 H new ATOM 0 HG21 ILE A 72 11.140 14.934 7.893 1.00 2.27 H new ATOM 0 HG22 ILE A 72 12.155 13.559 7.399 1.00 2.27 H new ATOM 0 HG23 ILE A 72 12.782 14.758 8.555 1.00 2.27 H new ATOM 0 HD11 ILE A 72 11.986 18.675 5.874 1.00 0.92 H new ATOM 0 HD12 ILE A 72 12.629 17.435 4.771 1.00 0.92 H new ATOM 0 HD13 ILE A 72 11.024 17.223 5.509 1.00 0.92 H new ATOM 972 N CYS A 73 15.224 14.571 4.094 1.00 0.82 N ATOM 973 CA CYS A 73 15.764 14.857 2.782 1.00 1.07 C ATOM 974 C CYS A 73 14.721 14.507 1.739 1.00 1.08 C ATOM 975 O CYS A 73 14.548 13.346 1.376 1.00 1.21 O ATOM 976 CB CYS A 73 17.053 14.059 2.611 1.00 1.19 C ATOM 977 SG CYS A 73 17.565 13.737 0.903 1.00 1.98 S ATOM 0 H CYS A 73 15.356 13.607 4.399 1.00 0.82 H new ATOM 0 HA CYS A 73 16.004 15.914 2.664 1.00 1.07 H new ATOM 0 HB2 CYS A 73 17.858 14.593 3.116 1.00 1.19 H new ATOM 0 HB3 CYS A 73 16.936 13.103 3.121 1.00 1.19 H new ATOM 982 N CYS A 74 13.977 15.518 1.324 1.00 0.98 N ATOM 983 CA CYS A 74 12.886 15.323 0.391 1.00 0.99 C ATOM 984 C CYS A 74 13.265 15.505 -1.069 1.00 1.15 C ATOM 985 O CYS A 74 14.278 16.112 -1.404 1.00 1.33 O ATOM 986 CB CYS A 74 11.744 16.261 0.754 1.00 1.13 C ATOM 987 SG CYS A 74 11.348 16.250 2.526 1.00 1.32 S ATOM 0 H CYS A 74 14.111 16.485 1.621 1.00 0.98 H new ATOM 0 HA CYS A 74 12.584 14.280 0.485 1.00 0.99 H new ATOM 0 HB2 CYS A 74 12.005 17.275 0.453 1.00 1.13 H new ATOM 0 HB3 CYS A 74 10.856 15.979 0.188 1.00 1.13 H new ATOM 992 N SER A 75 12.386 14.973 -1.915 1.00 1.14 N ATOM 993 CA SER A 75 12.507 15.036 -3.368 1.00 1.36 C ATOM 994 C SER A 75 11.220 15.648 -3.927 1.00 1.28 C ATOM 995 O SER A 75 10.316 15.969 -3.156 1.00 1.10 O ATOM 996 CB SER A 75 12.720 13.618 -3.923 1.00 1.46 C ATOM 997 OG SER A 75 11.677 12.751 -3.510 1.00 1.99 O ATOM 0 H SER A 75 11.552 14.476 -1.602 1.00 1.14 H new ATOM 0 HA SER A 75 13.359 15.650 -3.660 1.00 1.36 H new ATOM 0 HB2 SER A 75 12.761 13.652 -5.012 1.00 1.46 H new ATOM 0 HB3 SER A 75 13.679 13.229 -3.580 1.00 1.46 H new ATOM 0 HG SER A 75 11.832 11.855 -3.876 1.00 1.99 H new ATOM 1003 N PRO A 76 11.087 15.826 -5.255 1.00 1.46 N ATOM 1004 CA PRO A 76 9.867 16.405 -5.828 1.00 1.42 C ATOM 1005 C PRO A 76 8.723 15.391 -5.878 1.00 1.18 C ATOM 1006 O PRO A 76 7.862 15.450 -6.755 1.00 1.22 O ATOM 1007 CB PRO A 76 10.303 16.796 -7.240 1.00 1.74 C ATOM 1008 CG PRO A 76 11.372 15.818 -7.584 1.00 1.86 C ATOM 1009 CD PRO A 76 12.086 15.501 -6.294 1.00 1.77 C ATOM 0 HA PRO A 76 9.483 17.239 -5.240 1.00 1.42 H new ATOM 0 HB2 PRO A 76 9.471 16.739 -7.942 1.00 1.74 H new ATOM 0 HB3 PRO A 76 10.676 17.820 -7.271 1.00 1.74 H new ATOM 0 HG2 PRO A 76 10.947 14.916 -8.025 1.00 1.86 H new ATOM 0 HG3 PRO A 76 12.061 16.237 -8.317 1.00 1.86 H new ATOM 0 HD2 PRO A 76 12.386 14.454 -6.248 1.00 1.77 H new ATOM 0 HD3 PRO A 76 12.991 16.097 -6.180 1.00 1.77 H new ATOM 1017 N ASP A 77 8.735 14.458 -4.922 1.00 0.99 N ATOM 1018 CA ASP A 77 7.717 13.415 -4.823 1.00 0.91 C ATOM 1019 C ASP A 77 7.438 13.061 -3.358 1.00 0.82 C ATOM 1020 O ASP A 77 6.287 12.862 -2.965 1.00 0.90 O ATOM 1021 CB ASP A 77 8.176 12.165 -5.564 1.00 1.16 C ATOM 1022 CG ASP A 77 7.016 11.371 -6.126 1.00 1.92 C ATOM 1023 OD1 ASP A 77 6.436 11.808 -7.140 1.00 2.65 O ATOM 1024 OD2 ASP A 77 6.688 10.311 -5.551 1.00 2.50 O ATOM 0 H ASP A 77 9.451 14.407 -4.197 1.00 0.99 H new ATOM 0 HA ASP A 77 6.800 13.794 -5.274 1.00 0.91 H new ATOM 0 HB2 ASP A 77 8.844 12.452 -6.376 1.00 1.16 H new ATOM 0 HB3 ASP A 77 8.751 11.534 -4.886 1.00 1.16 H new ATOM 1029 N GLY A 78 8.505 12.971 -2.558 1.00 0.88 N ATOM 1030 CA GLY A 78 8.344 12.635 -1.147 1.00 0.87 C ATOM 1031 C GLY A 78 9.426 13.217 -0.256 1.00 0.86 C ATOM 1032 O GLY A 78 9.876 14.342 -0.456 1.00 0.99 O ATOM 0 H GLY A 78 9.468 13.123 -2.858 1.00 0.88 H new ATOM 0 HA2 GLY A 78 7.373 12.993 -0.806 1.00 0.87 H new ATOM 0 HA3 GLY A 78 8.340 11.550 -1.039 1.00 0.87 H new ATOM 1036 N CYS A 79 9.835 12.423 0.732 1.00 0.79 N ATOM 1037 CA CYS A 79 10.863 12.812 1.696 1.00 0.80 C ATOM 1038 C CYS A 79 11.655 11.595 2.150 1.00 0.78 C ATOM 1039 O CYS A 79 11.107 10.496 2.306 1.00 0.89 O ATOM 1040 CB CYS A 79 10.231 13.479 2.918 1.00 0.94 C ATOM 1041 SG CYS A 79 9.636 15.172 2.625 1.00 1.34 S ATOM 0 H CYS A 79 9.461 11.487 0.887 1.00 0.79 H new ATOM 0 HA CYS A 79 11.532 13.519 1.204 1.00 0.80 H new ATOM 0 HB2 CYS A 79 9.396 12.867 3.260 1.00 0.94 H new ATOM 0 HB3 CYS A 79 10.963 13.499 3.725 1.00 0.94 H new ATOM 1046 N HIS A 80 12.937 11.785 2.419 1.00 0.71 N ATOM 1047 CA HIS A 80 13.757 10.669 2.859 1.00 0.76 C ATOM 1048 C HIS A 80 14.599 11.039 4.061 1.00 0.70 C ATOM 1049 O HIS A 80 15.239 12.089 4.082 1.00 0.67 O ATOM 1050 CB HIS A 80 14.674 10.221 1.713 1.00 0.87 C ATOM 1051 CG HIS A 80 14.037 9.258 0.754 1.00 0.99 C ATOM 1052 ND1 HIS A 80 13.670 9.602 -0.532 1.00 1.64 N ATOM 1053 CD2 HIS A 80 13.720 7.948 0.892 1.00 1.76 C ATOM 1054 CE1 HIS A 80 13.157 8.547 -1.140 1.00 2.09 C ATOM 1055 NE2 HIS A 80 13.175 7.531 -0.298 1.00 2.17 N ATOM 0 H HIS A 80 13.423 12.679 2.343 1.00 0.71 H new ATOM 0 HA HIS A 80 13.091 9.855 3.147 1.00 0.76 H new ATOM 0 HB2 HIS A 80 15.003 11.101 1.161 1.00 0.87 H new ATOM 0 HB3 HIS A 80 15.566 9.758 2.136 1.00 0.87 H new ATOM 0 HD2 HIS A 80 13.868 7.343 1.774 1.00 1.76 H new ATOM 0 HE1 HIS A 80 12.786 8.521 -2.154 1.00 2.09 H new ATOM 0 HE2 HIS A 80 12.839 6.589 -0.498 1.00 2.17 H new ATOM 1064 N GLU A 81 14.616 10.160 5.057 1.00 0.75 N ATOM 1065 CA GLU A 81 15.414 10.397 6.245 1.00 0.77 C ATOM 1066 C GLU A 81 16.869 10.528 5.835 1.00 0.72 C ATOM 1067 O GLU A 81 17.356 9.761 5.007 1.00 0.92 O ATOM 1068 CB GLU A 81 15.253 9.254 7.248 1.00 0.94 C ATOM 1069 CG GLU A 81 14.107 9.450 8.224 1.00 1.70 C ATOM 1070 CD GLU A 81 14.293 8.653 9.500 1.00 2.35 C ATOM 1071 OE1 GLU A 81 14.302 7.407 9.424 1.00 3.05 O ATOM 1072 OE2 GLU A 81 14.437 9.276 10.573 1.00 2.71 O ATOM 0 H GLU A 81 14.090 9.286 5.062 1.00 0.75 H new ATOM 0 HA GLU A 81 15.076 11.314 6.727 1.00 0.77 H new ATOM 0 HB2 GLU A 81 15.097 8.324 6.702 1.00 0.94 H new ATOM 0 HB3 GLU A 81 16.181 9.143 7.809 1.00 0.94 H new ATOM 0 HG2 GLU A 81 14.019 10.508 8.469 1.00 1.70 H new ATOM 0 HG3 GLU A 81 13.172 9.155 7.747 1.00 1.70 H new ATOM 1079 N ASP A 82 17.550 11.511 6.394 1.00 0.76 N ATOM 1080 CA ASP A 82 18.942 11.743 6.051 1.00 0.77 C ATOM 1081 C ASP A 82 19.747 12.184 7.284 1.00 0.96 C ATOM 1082 O ASP A 82 19.344 13.102 8.001 1.00 1.21 O ATOM 1083 CB ASP A 82 19.000 12.791 4.931 1.00 0.86 C ATOM 1084 CG ASP A 82 18.949 14.215 5.457 1.00 1.34 C ATOM 1085 OD1 ASP A 82 17.831 14.743 5.628 1.00 1.82 O ATOM 1086 OD2 ASP A 82 20.027 14.798 5.698 1.00 2.02 O ATOM 0 H ASP A 82 17.166 12.158 7.083 1.00 0.76 H new ATOM 0 HA ASP A 82 19.396 10.817 5.698 1.00 0.77 H new ATOM 0 HB2 ASP A 82 19.916 12.653 4.357 1.00 0.86 H new ATOM 0 HB3 ASP A 82 18.167 12.631 4.246 1.00 0.86 H new ATOM 1091 N PRO A 83 20.893 11.520 7.556 1.00 1.15 N ATOM 1092 CA PRO A 83 21.749 11.829 8.714 1.00 1.42 C ATOM 1093 C PRO A 83 22.451 13.176 8.595 1.00 1.28 C ATOM 1094 O PRO A 83 22.724 13.837 9.598 1.00 1.40 O ATOM 1095 CB PRO A 83 22.793 10.701 8.717 1.00 1.81 C ATOM 1096 CG PRO A 83 22.277 9.669 7.772 1.00 1.93 C ATOM 1097 CD PRO A 83 21.438 10.405 6.770 1.00 1.42 C ATOM 0 HA PRO A 83 21.157 11.892 9.627 1.00 1.42 H new ATOM 0 HB2 PRO A 83 23.768 11.070 8.399 1.00 1.81 H new ATOM 0 HB3 PRO A 83 22.919 10.287 9.717 1.00 1.81 H new ATOM 0 HG2 PRO A 83 23.097 9.144 7.283 1.00 1.93 H new ATOM 0 HG3 PRO A 83 21.687 8.919 8.298 1.00 1.93 H new ATOM 0 HD2 PRO A 83 22.032 10.757 5.927 1.00 1.42 H new ATOM 0 HD3 PRO A 83 20.648 9.774 6.362 1.00 1.42 H new ATOM 1105 N ALA A 84 22.755 13.569 7.366 1.00 1.13 N ATOM 1106 CA ALA A 84 23.432 14.832 7.115 1.00 1.17 C ATOM 1107 C ALA A 84 22.574 16.035 7.522 1.00 1.20 C ATOM 1108 O ALA A 84 23.022 17.177 7.423 1.00 1.53 O ATOM 1109 CB ALA A 84 23.838 14.928 5.656 1.00 1.21 C ATOM 0 H ALA A 84 22.543 13.030 6.526 1.00 1.13 H new ATOM 0 HA ALA A 84 24.329 14.856 7.734 1.00 1.17 H new ATOM 0 HB1 ALA A 84 24.344 15.878 5.481 1.00 1.21 H new ATOM 0 HB2 ALA A 84 24.512 14.107 5.411 1.00 1.21 H new ATOM 0 HB3 ALA A 84 22.950 14.868 5.027 1.00 1.21 H new ATOM 1115 N CYS A 85 21.343 15.780 7.973 1.00 1.02 N ATOM 1116 CA CYS A 85 20.448 16.860 8.385 1.00 1.19 C ATOM 1117 C CYS A 85 19.776 16.569 9.729 1.00 1.46 C ATOM 1118 O CYS A 85 18.749 17.165 10.042 1.00 1.88 O ATOM 1119 CB CYS A 85 19.356 17.098 7.335 1.00 1.15 C ATOM 1120 SG CYS A 85 19.894 17.868 5.770 1.00 1.42 S ATOM 0 H CYS A 85 20.948 14.844 8.061 1.00 1.02 H new ATOM 0 HA CYS A 85 21.068 17.750 8.487 1.00 1.19 H new ATOM 0 HB2 CYS A 85 18.890 16.140 7.103 1.00 1.15 H new ATOM 0 HB3 CYS A 85 18.585 17.728 7.779 1.00 1.15 H new ATOM 1125 N ASP A 86 20.347 15.664 10.531 1.00 1.53 N ATOM 1126 CA ASP A 86 19.772 15.337 11.820 1.00 1.90 C ATOM 1127 C ASP A 86 20.563 15.888 13.006 1.00 1.82 C ATOM 1128 O ASP A 86 20.361 15.420 14.127 1.00 2.29 O ATOM 1129 CB ASP A 86 19.624 13.827 11.970 1.00 2.43 C ATOM 1130 CG ASP A 86 18.408 13.292 11.243 1.00 3.07 C ATOM 1131 OD1 ASP A 86 17.283 13.702 11.595 1.00 3.60 O ATOM 1132 OD2 ASP A 86 18.580 12.461 10.327 1.00 3.47 O ATOM 0 H ASP A 86 21.200 15.154 10.304 1.00 1.53 H new ATOM 0 HA ASP A 86 18.795 15.820 11.838 1.00 1.90 H new ATOM 0 HB2 ASP A 86 20.519 13.337 11.586 1.00 2.43 H new ATOM 0 HB3 ASP A 86 19.552 13.575 13.028 1.00 2.43 H new ATOM 1137 N PRO A 87 21.418 16.924 12.840 1.00 1.72 N ATOM 1138 CA PRO A 87 22.111 17.509 13.971 1.00 2.05 C ATOM 1139 C PRO A 87 21.120 18.388 14.674 1.00 2.20 C ATOM 1140 O PRO A 87 21.253 19.609 14.726 1.00 2.35 O ATOM 1141 CB PRO A 87 23.235 18.339 13.353 1.00 2.46 C ATOM 1142 CG PRO A 87 23.091 18.212 11.870 1.00 2.56 C ATOM 1143 CD PRO A 87 21.718 17.662 11.607 1.00 1.96 C ATOM 0 HA PRO A 87 22.512 16.787 14.683 1.00 2.05 H new ATOM 0 HB2 PRO A 87 23.162 19.382 13.662 1.00 2.46 H new ATOM 0 HB3 PRO A 87 24.210 17.977 13.680 1.00 2.46 H new ATOM 0 HG2 PRO A 87 23.218 19.180 11.386 1.00 2.56 H new ATOM 0 HG3 PRO A 87 23.856 17.550 11.464 1.00 2.56 H new ATOM 0 HD2 PRO A 87 20.993 18.455 11.425 1.00 1.96 H new ATOM 0 HD3 PRO A 87 21.704 17.011 10.733 1.00 1.96 H new ATOM 1151 N GLU A 88 20.126 17.723 15.209 1.00 2.56 N ATOM 1152 CA GLU A 88 19.057 18.447 15.935 1.00 3.21 C ATOM 1153 C GLU A 88 18.039 17.477 16.374 1.00 3.51 C ATOM 1154 O GLU A 88 17.459 17.548 17.454 1.00 4.11 O ATOM 1155 CB GLU A 88 18.458 19.534 15.056 1.00 3.64 C ATOM 1156 CG GLU A 88 17.522 19.019 13.985 1.00 3.54 C ATOM 1157 CD GLU A 88 16.583 20.096 13.474 1.00 4.21 C ATOM 1158 OE1 GLU A 88 15.544 20.335 14.125 1.00 4.58 O ATOM 1159 OE2 GLU A 88 16.892 20.706 12.429 1.00 4.72 O ATOM 0 H GLU A 88 20.015 16.710 15.170 1.00 2.56 H new ATOM 0 HA GLU A 88 19.472 18.941 16.814 1.00 3.21 H new ATOM 0 HB2 GLU A 88 17.917 20.239 15.687 1.00 3.64 H new ATOM 0 HB3 GLU A 88 19.267 20.088 14.580 1.00 3.64 H new ATOM 0 HG2 GLU A 88 18.107 18.625 13.153 1.00 3.54 H new ATOM 0 HG3 GLU A 88 16.938 18.190 14.384 1.00 3.54 H new ATOM 1166 N ALA A 89 17.892 16.494 15.455 1.00 3.29 N ATOM 1167 CA ALA A 89 17.035 15.319 15.560 1.00 3.88 C ATOM 1168 C ALA A 89 17.708 14.288 16.487 1.00 4.78 C ATOM 1169 O ALA A 89 17.664 13.078 16.257 1.00 5.29 O ATOM 1170 CB ALA A 89 16.871 14.738 14.147 1.00 3.48 C ATOM 0 H ALA A 89 18.404 16.514 14.573 1.00 3.29 H new ATOM 0 HA ALA A 89 16.060 15.575 15.974 1.00 3.88 H new ATOM 0 HB1 ALA A 89 16.234 13.855 14.188 1.00 3.48 H new ATOM 0 HB2 ALA A 89 16.415 15.485 13.497 1.00 3.48 H new ATOM 0 HB3 ALA A 89 17.848 14.462 13.752 1.00 3.48 H new ATOM 1176 N ALA A 90 18.324 14.824 17.522 1.00 5.12 N ATOM 1177 CA ALA A 90 19.061 14.065 18.548 1.00 6.15 C ATOM 1178 C ALA A 90 18.119 13.442 19.556 1.00 6.94 C ATOM 1179 O ALA A 90 17.040 13.969 19.811 1.00 6.98 O ATOM 1180 CB ALA A 90 20.085 14.952 19.240 1.00 6.47 C ATOM 0 H ALA A 90 18.334 15.830 17.689 1.00 5.12 H new ATOM 0 HA ALA A 90 19.591 13.255 18.047 1.00 6.15 H new ATOM 0 HB1 ALA A 90 20.618 14.373 19.994 1.00 6.47 H new ATOM 0 HB2 ALA A 90 20.795 15.331 18.504 1.00 6.47 H new ATOM 0 HB3 ALA A 90 19.577 15.789 19.718 1.00 6.47 H new ATOM 1186 N PHE A 91 18.491 12.269 20.075 1.00 7.67 N ATOM 1187 CA PHE A 91 17.611 11.531 20.982 1.00 8.56 C ATOM 1188 C PHE A 91 17.336 12.295 22.267 1.00 9.41 C ATOM 1189 O PHE A 91 18.253 12.742 22.957 1.00 9.96 O ATOM 1190 CB PHE A 91 18.211 10.161 21.335 1.00 9.02 C ATOM 1191 CG PHE A 91 18.467 9.261 20.155 1.00 9.29 C ATOM 1192 CD1 PHE A 91 17.417 8.743 19.410 1.00 9.45 C ATOM 1193 CD2 PHE A 91 19.763 8.922 19.802 1.00 9.65 C ATOM 1194 CE1 PHE A 91 17.659 7.906 18.336 1.00 9.92 C ATOM 1195 CE2 PHE A 91 20.009 8.088 18.728 1.00 10.10 C ATOM 1196 CZ PHE A 91 18.956 7.578 17.995 1.00 10.21 C ATOM 0 H PHE A 91 19.384 11.815 19.885 1.00 7.67 H new ATOM 0 HA PHE A 91 16.668 11.397 20.452 1.00 8.56 H new ATOM 0 HB2 PHE A 91 19.150 10.317 21.866 1.00 9.02 H new ATOM 0 HB3 PHE A 91 17.537 9.651 22.023 1.00 9.02 H new ATOM 0 HD1 PHE A 91 16.400 8.996 19.672 1.00 9.45 H new ATOM 0 HD2 PHE A 91 20.591 9.314 20.373 1.00 9.65 H new ATOM 0 HE1 PHE A 91 16.833 7.509 17.764 1.00 9.92 H new ATOM 0 HE2 PHE A 91 21.025 7.835 18.462 1.00 10.10 H new ATOM 0 HZ PHE A 91 19.146 6.924 17.157 1.00 10.21 H new ATOM 1206 N SER A 92 16.047 12.432 22.573 1.00 9.61 N ATOM 1207 CA SER A 92 15.599 13.132 23.768 1.00 10.49 C ATOM 1208 C SER A 92 14.217 12.640 24.191 1.00 11.25 C ATOM 1209 O SER A 92 13.967 12.550 25.410 1.00 11.48 O ATOM 1210 CB SER A 92 15.561 14.640 23.519 1.00 10.50 C ATOM 1211 OG SER A 92 15.531 15.358 24.740 1.00 10.56 O ATOM 1212 OXT SER A 92 13.395 12.350 23.295 1.00 11.77 O ATOM 0 H SER A 92 15.289 12.061 22.000 1.00 9.61 H new ATOM 0 HA SER A 92 16.306 12.924 24.571 1.00 10.49 H new ATOM 0 HB2 SER A 92 16.435 14.938 22.940 1.00 10.50 H new ATOM 0 HB3 SER A 92 14.683 14.891 22.924 1.00 10.50 H new ATOM 0 HG SER A 92 15.509 16.320 24.553 1.00 10.56 H new TER 1218 SER A 92 ATOM 1219 N ALA B 101 -9.389 -5.836 6.992 1.00 10.07 N ATOM 1220 CA ALA B 101 -10.378 -6.270 8.016 1.00 9.47 C ATOM 1221 C ALA B 101 -9.693 -6.753 9.300 1.00 8.40 C ATOM 1222 O ALA B 101 -10.349 -7.260 10.210 1.00 8.14 O ATOM 1223 CB ALA B 101 -11.272 -7.360 7.448 1.00 9.68 C ATOM 0 HA ALA B 101 -10.988 -5.406 8.278 1.00 9.47 H new ATOM 0 HB1 ALA B 101 -11.992 -7.671 8.205 1.00 9.68 H new ATOM 0 HB2 ALA B 101 -11.804 -6.977 6.577 1.00 9.68 H new ATOM 0 HB3 ALA B 101 -10.662 -8.215 7.155 1.00 9.68 H new ATOM 1231 N VAL B 102 -8.374 -6.597 9.359 1.00 8.03 N ATOM 1232 CA VAL B 102 -7.582 -6.997 10.487 1.00 7.24 C ATOM 1233 C VAL B 102 -6.174 -6.330 10.454 1.00 6.03 C ATOM 1234 O VAL B 102 -5.657 -5.938 9.410 1.00 5.94 O ATOM 1235 CB VAL B 102 -7.464 -8.540 10.519 1.00 7.66 C ATOM 1236 CG1 VAL B 102 -6.022 -8.988 10.668 1.00 7.91 C ATOM 1237 CG2 VAL B 102 -8.339 -9.121 11.624 1.00 8.41 C ATOM 0 H VAL B 102 -7.829 -6.180 8.604 1.00 8.03 H new ATOM 0 HA VAL B 102 -8.078 -6.661 11.398 1.00 7.24 H new ATOM 0 HB VAL B 102 -7.822 -8.922 9.563 1.00 7.66 H new ATOM 0 HG11 VAL B 102 -5.979 -10.077 10.687 1.00 7.91 H new ATOM 0 HG12 VAL B 102 -5.437 -8.616 9.827 1.00 7.91 H new ATOM 0 HG13 VAL B 102 -5.613 -8.593 11.598 1.00 7.91 H new ATOM 0 HG21 VAL B 102 -8.243 -10.207 11.631 1.00 8.41 H new ATOM 0 HG22 VAL B 102 -8.021 -8.722 12.587 1.00 8.41 H new ATOM 0 HG23 VAL B 102 -9.379 -8.850 11.445 1.00 8.41 H new ATOM 1247 N LEU B 103 -5.627 -6.200 11.668 1.00 5.40 N ATOM 1248 CA LEU B 103 -4.327 -5.573 11.924 1.00 4.42 C ATOM 1249 C LEU B 103 -3.121 -6.453 11.568 1.00 4.14 C ATOM 1250 O LEU B 103 -2.806 -7.420 12.262 1.00 4.51 O ATOM 1251 CB LEU B 103 -4.220 -5.226 13.406 1.00 4.44 C ATOM 1252 CG LEU B 103 -4.341 -6.434 14.332 1.00 5.04 C ATOM 1253 CD1 LEU B 103 -3.139 -6.517 15.258 1.00 5.09 C ATOM 1254 CD2 LEU B 103 -5.641 -6.375 15.118 1.00 5.87 C ATOM 0 H LEU B 103 -6.085 -6.534 12.516 1.00 5.40 H new ATOM 0 HA LEU B 103 -4.292 -4.693 11.282 1.00 4.42 H new ATOM 0 HB2 LEU B 103 -3.263 -4.736 13.587 1.00 4.44 H new ATOM 0 HB3 LEU B 103 -4.999 -4.507 13.658 1.00 4.44 H new ATOM 0 HG LEU B 103 -4.359 -7.339 13.725 1.00 5.04 H new ATOM 0 HD11 LEU B 103 -3.242 -7.384 15.911 1.00 5.09 H new ATOM 0 HD12 LEU B 103 -2.229 -6.615 14.666 1.00 5.09 H new ATOM 0 HD13 LEU B 103 -3.082 -5.612 15.863 1.00 5.09 H new ATOM 0 HD21 LEU B 103 -5.710 -7.244 15.773 1.00 5.87 H new ATOM 0 HD22 LEU B 103 -5.662 -5.466 15.719 1.00 5.87 H new ATOM 0 HD23 LEU B 103 -6.484 -6.373 14.427 1.00 5.87 H new ATOM 1266 N ASP B 104 -2.414 -6.042 10.526 1.00 4.04 N ATOM 1267 CA ASP B 104 -1.191 -6.695 10.090 1.00 4.36 C ATOM 1268 C ASP B 104 -0.045 -6.248 11.014 1.00 4.07 C ATOM 1269 O ASP B 104 0.837 -5.464 10.654 1.00 4.12 O ATOM 1270 CB ASP B 104 -0.907 -6.370 8.621 1.00 5.06 C ATOM 1271 CG ASP B 104 -1.417 -7.458 7.694 1.00 5.80 C ATOM 1272 OD1 ASP B 104 -2.643 -7.698 7.676 1.00 6.27 O ATOM 1273 OD2 ASP B 104 -0.590 -8.081 6.991 1.00 6.19 O ATOM 0 H ASP B 104 -2.676 -5.239 9.955 1.00 4.04 H new ATOM 0 HA ASP B 104 -1.292 -7.778 10.157 1.00 4.36 H new ATOM 0 HB2 ASP B 104 -1.377 -5.421 8.361 1.00 5.06 H new ATOM 0 HB3 ASP B 104 0.166 -6.244 8.478 1.00 5.06 H new ATOM 1278 N LEU B 105 -0.099 -6.859 12.204 1.00 4.35 N ATOM 1279 CA LEU B 105 0.791 -6.750 13.268 1.00 4.75 C ATOM 1280 C LEU B 105 0.618 -8.062 14.090 1.00 5.41 C ATOM 1281 O LEU B 105 0.682 -9.166 13.552 1.00 6.19 O ATOM 1282 CB LEU B 105 0.469 -5.464 14.002 1.00 5.45 C ATOM 1283 CG LEU B 105 1.683 -4.700 14.584 1.00 6.23 C ATOM 1284 CD1 LEU B 105 2.281 -5.385 15.805 1.00 5.95 C ATOM 1285 CD2 LEU B 105 2.762 -4.520 13.516 1.00 7.20 C ATOM 0 H LEU B 105 -0.863 -7.498 12.424 1.00 4.35 H new ATOM 0 HA LEU B 105 1.844 -6.671 12.998 1.00 4.75 H new ATOM 0 HB2 LEU B 105 -0.061 -4.800 13.319 1.00 5.45 H new ATOM 0 HB3 LEU B 105 -0.216 -5.695 14.818 1.00 5.45 H new ATOM 0 HG LEU B 105 1.312 -3.727 14.905 1.00 6.23 H new ATOM 0 HD11 LEU B 105 3.128 -4.804 16.169 1.00 5.95 H new ATOM 0 HD12 LEU B 105 1.526 -5.456 16.588 1.00 5.95 H new ATOM 0 HD13 LEU B 105 2.617 -6.386 15.533 1.00 5.95 H new ATOM 0 HD21 LEU B 105 3.609 -3.981 13.941 1.00 7.20 H new ATOM 0 HD22 LEU B 105 3.093 -5.497 13.165 1.00 7.20 H new ATOM 0 HD23 LEU B 105 2.354 -3.953 12.679 1.00 7.20 H new ATOM 1297 N ASP B 106 0.446 -7.894 15.372 1.00 5.41 N ATOM 1298 CA ASP B 106 0.292 -8.991 16.322 1.00 6.32 C ATOM 1299 C ASP B 106 -0.301 -8.419 17.617 1.00 6.19 C ATOM 1300 O ASP B 106 -1.313 -8.885 18.138 1.00 6.37 O ATOM 1301 CB ASP B 106 1.671 -9.586 16.487 1.00 7.13 C ATOM 1302 CG ASP B 106 1.665 -11.032 16.942 1.00 8.06 C ATOM 1303 OD1 ASP B 106 1.444 -11.923 16.091 1.00 8.55 O ATOM 1304 OD2 ASP B 106 1.890 -11.277 18.143 1.00 8.48 O ATOM 0 H ASP B 106 0.406 -6.973 15.808 1.00 5.41 H new ATOM 0 HA ASP B 106 -0.389 -9.778 15.997 1.00 6.32 H new ATOM 0 HB2 ASP B 106 2.202 -9.516 15.538 1.00 7.13 H new ATOM 0 HB3 ASP B 106 2.229 -8.990 17.209 1.00 7.13 H new ATOM 1309 N VAL B 107 0.278 -7.289 17.981 1.00 6.17 N ATOM 1310 CA VAL B 107 -0.137 -6.426 19.018 1.00 6.24 C ATOM 1311 C VAL B 107 -0.359 -5.110 18.290 1.00 5.49 C ATOM 1312 O VAL B 107 0.538 -4.622 17.600 1.00 5.67 O ATOM 1313 CB VAL B 107 0.948 -6.234 20.076 1.00 7.18 C ATOM 1314 CG1 VAL B 107 1.052 -7.476 20.929 1.00 7.33 C ATOM 1315 CG2 VAL B 107 2.290 -5.887 19.435 1.00 7.48 C ATOM 0 H VAL B 107 1.114 -6.945 17.508 1.00 6.17 H new ATOM 0 HA VAL B 107 -1.008 -6.812 19.547 1.00 6.24 H new ATOM 0 HB VAL B 107 0.672 -5.394 20.714 1.00 7.18 H new ATOM 0 HG11 VAL B 107 1.827 -7.336 21.683 1.00 7.33 H new ATOM 0 HG12 VAL B 107 0.097 -7.661 21.420 1.00 7.33 H new ATOM 0 HG13 VAL B 107 1.308 -8.329 20.300 1.00 7.33 H new ATOM 0 HG21 VAL B 107 3.042 -5.756 20.213 1.00 7.48 H new ATOM 0 HG22 VAL B 107 2.594 -6.694 18.768 1.00 7.48 H new ATOM 0 HG23 VAL B 107 2.193 -4.963 18.865 1.00 7.48 H new ATOM 1325 N ARG B 108 -1.531 -4.514 18.455 1.00 5.08 N ATOM 1326 CA ARG B 108 -1.760 -3.299 17.817 1.00 4.80 C ATOM 1327 C ARG B 108 -1.007 -2.300 18.570 1.00 4.49 C ATOM 1328 O ARG B 108 -1.454 -1.907 19.653 1.00 4.98 O ATOM 1329 CB ARG B 108 -3.241 -2.921 17.879 1.00 5.26 C ATOM 1330 CG ARG B 108 -4.187 -3.901 17.209 1.00 6.18 C ATOM 1331 CD ARG B 108 -4.307 -5.211 17.980 1.00 6.96 C ATOM 1332 NE ARG B 108 -4.856 -5.035 19.324 1.00 7.64 N ATOM 1333 CZ ARG B 108 -6.138 -5.228 19.629 1.00 8.36 C ATOM 1334 NH1 ARG B 108 -7.020 -5.512 18.678 1.00 8.54 N ATOM 1335 NH2 ARG B 108 -6.546 -5.125 20.887 1.00 9.12 N ATOM 0 H ARG B 108 -2.302 -4.871 19.020 1.00 5.08 H new ATOM 0 HA ARG B 108 -1.463 -3.359 16.770 1.00 4.80 H new ATOM 0 HB2 ARG B 108 -3.530 -2.819 18.925 1.00 5.26 H new ATOM 0 HB3 ARG B 108 -3.369 -1.943 17.416 1.00 5.26 H new ATOM 0 HG2 ARG B 108 -5.173 -3.445 17.117 1.00 6.18 H new ATOM 0 HG3 ARG B 108 -3.836 -4.108 16.198 1.00 6.18 H new ATOM 0 HD2 ARG B 108 -4.942 -5.898 17.421 1.00 6.96 H new ATOM 0 HD3 ARG B 108 -3.323 -5.675 18.053 1.00 6.96 H new ATOM 0 HE ARG B 108 -4.222 -4.748 20.070 1.00 7.64 H new ATOM 0 HH11 ARG B 108 -6.717 -5.584 17.707 1.00 8.54 H new ATOM 0 HH12 ARG B 108 -8.000 -5.659 18.919 1.00 8.54 H new ATOM 0 HH21 ARG B 108 -5.877 -4.898 21.623 1.00 9.12 H new ATOM 0 HH22 ARG B 108 -7.528 -5.273 21.118 1.00 9.12 H new ATOM 1349 N THR B 109 0.020 -1.748 17.999 1.00 4.05 N ATOM 1350 CA THR B 109 0.560 -0.688 18.718 1.00 4.08 C ATOM 1351 C THR B 109 0.211 0.452 17.850 1.00 3.18 C ATOM 1352 O THR B 109 0.867 0.743 16.851 1.00 3.48 O ATOM 1353 CB THR B 109 2.062 -0.885 18.879 1.00 4.98 C ATOM 1354 OG1 THR B 109 2.582 -1.625 17.782 1.00 5.58 O ATOM 1355 CG2 THR B 109 2.416 -1.624 20.153 1.00 5.69 C ATOM 0 H THR B 109 0.456 -2.000 17.112 1.00 4.05 H new ATOM 0 HA THR B 109 0.192 -0.567 19.737 1.00 4.08 H new ATOM 0 HB THR B 109 2.500 0.112 18.920 1.00 4.98 H new ATOM 0 HG1 THR B 109 2.649 -1.042 16.997 1.00 5.58 H new ATOM 0 HG21 THR B 109 3.498 -1.738 20.219 1.00 5.69 H new ATOM 0 HG22 THR B 109 2.058 -1.059 21.013 1.00 5.69 H new ATOM 0 HG23 THR B 109 1.947 -2.608 20.145 1.00 5.69 H new ATOM 1363 N CYS B 110 -0.861 1.088 18.230 1.00 2.52 N ATOM 1364 CA CYS B 110 -1.315 2.218 17.440 1.00 1.89 C ATOM 1365 C CYS B 110 -0.543 3.498 17.793 1.00 1.69 C ATOM 1366 O CYS B 110 -1.125 4.448 18.322 1.00 1.94 O ATOM 1367 CB CYS B 110 -2.826 2.390 17.570 1.00 2.23 C ATOM 1368 SG CYS B 110 -3.762 1.109 16.663 1.00 2.61 S ATOM 0 H CYS B 110 -1.425 0.862 19.049 1.00 2.52 H new ATOM 0 HA CYS B 110 -1.102 2.013 16.391 1.00 1.89 H new ATOM 0 HB2 CYS B 110 -3.102 2.358 18.624 1.00 2.23 H new ATOM 0 HB3 CYS B 110 -3.109 3.374 17.196 1.00 2.23 H new ATOM 1373 N LEU B 111 0.752 3.532 17.484 1.00 1.46 N ATOM 1374 CA LEU B 111 1.604 4.703 17.767 1.00 1.37 C ATOM 1375 C LEU B 111 0.865 6.041 17.652 1.00 1.20 C ATOM 1376 O LEU B 111 0.129 6.263 16.699 1.00 1.18 O ATOM 1377 CB LEU B 111 2.828 4.707 16.863 1.00 1.54 C ATOM 1378 CG LEU B 111 3.967 3.814 17.339 1.00 1.90 C ATOM 1379 CD1 LEU B 111 3.790 2.413 16.785 1.00 2.47 C ATOM 1380 CD2 LEU B 111 5.313 4.395 16.937 1.00 2.26 C ATOM 0 H LEU B 111 1.244 2.760 17.034 1.00 1.46 H new ATOM 0 HA LEU B 111 1.912 4.604 18.808 1.00 1.37 H new ATOM 0 HB2 LEU B 111 2.528 4.390 15.864 1.00 1.54 H new ATOM 0 HB3 LEU B 111 3.196 5.729 16.776 1.00 1.54 H new ATOM 0 HG LEU B 111 3.943 3.762 18.427 1.00 1.90 H new ATOM 0 HD11 LEU B 111 4.608 1.780 17.129 1.00 2.47 H new ATOM 0 HD12 LEU B 111 2.842 2.002 17.132 1.00 2.47 H new ATOM 0 HD13 LEU B 111 3.793 2.449 15.696 1.00 2.47 H new ATOM 0 HD21 LEU B 111 6.111 3.741 17.287 1.00 2.26 H new ATOM 0 HD22 LEU B 111 5.363 4.479 15.851 1.00 2.26 H new ATOM 0 HD23 LEU B 111 5.431 5.382 17.383 1.00 2.26 H new ATOM 1392 N PRO B 112 1.066 6.956 18.624 1.00 1.19 N ATOM 1393 CA PRO B 112 0.432 8.275 18.637 1.00 1.12 C ATOM 1394 C PRO B 112 1.308 9.361 18.001 1.00 1.03 C ATOM 1395 O PRO B 112 2.406 9.653 18.473 1.00 1.06 O ATOM 1396 CB PRO B 112 0.274 8.514 20.131 1.00 1.30 C ATOM 1397 CG PRO B 112 1.499 7.904 20.730 1.00 1.47 C ATOM 1398 CD PRO B 112 1.930 6.784 19.805 1.00 1.37 C ATOM 0 HA PRO B 112 -0.494 8.312 18.063 1.00 1.12 H new ATOM 0 HB2 PRO B 112 0.206 9.578 20.359 1.00 1.30 H new ATOM 0 HB3 PRO B 112 -0.633 8.047 20.516 1.00 1.30 H new ATOM 0 HG2 PRO B 112 2.290 8.647 20.832 1.00 1.47 H new ATOM 0 HG3 PRO B 112 1.291 7.521 21.729 1.00 1.47 H new ATOM 0 HD2 PRO B 112 2.985 6.863 19.544 1.00 1.37 H new ATOM 0 HD3 PRO B 112 1.788 5.807 20.266 1.00 1.37 H new ATOM 1406 N CYS B 113 0.761 10.016 16.984 1.00 0.94 N ATOM 1407 CA CYS B 113 1.409 11.100 16.301 1.00 0.90 C ATOM 1408 C CYS B 113 0.435 12.273 16.063 1.00 0.91 C ATOM 1409 O CYS B 113 -0.705 12.277 16.503 1.00 1.00 O ATOM 1410 CB CYS B 113 1.999 10.584 14.980 1.00 0.83 C ATOM 1411 SG CYS B 113 1.067 11.016 13.475 1.00 0.87 S ATOM 0 H CYS B 113 -0.163 9.795 16.613 1.00 0.94 H new ATOM 0 HA CYS B 113 2.217 11.483 16.924 1.00 0.90 H new ATOM 0 HB2 CYS B 113 3.013 10.971 14.881 1.00 0.83 H new ATOM 0 HB3 CYS B 113 2.077 9.498 15.038 1.00 0.83 H new ATOM 1416 N GLY B 114 0.975 13.286 15.380 1.00 0.92 N ATOM 1417 CA GLY B 114 0.230 14.486 15.103 1.00 0.99 C ATOM 1418 C GLY B 114 0.099 15.316 16.351 1.00 1.11 C ATOM 1419 O GLY B 114 0.572 14.905 17.413 1.00 1.16 O ATOM 0 H GLY B 114 1.927 13.285 15.014 1.00 0.92 H new ATOM 0 HA2 GLY B 114 0.731 15.062 14.325 1.00 0.99 H new ATOM 0 HA3 GLY B 114 -0.759 14.229 14.723 1.00 0.99 H new ATOM 1423 N PRO B 115 -0.587 16.450 16.299 1.00 1.19 N ATOM 1424 CA PRO B 115 -0.825 17.259 17.477 1.00 1.33 C ATOM 1425 C PRO B 115 -1.696 16.495 18.453 1.00 1.40 C ATOM 1426 O PRO B 115 -2.797 16.062 18.120 1.00 1.57 O ATOM 1427 CB PRO B 115 -1.586 18.449 16.925 1.00 1.46 C ATOM 1428 CG PRO B 115 -2.367 17.758 15.915 1.00 1.39 C ATOM 1429 CD PRO B 115 -1.322 16.998 15.154 1.00 1.21 C ATOM 0 HA PRO B 115 0.085 17.536 18.009 1.00 1.33 H new ATOM 0 HB2 PRO B 115 -2.205 18.940 17.676 1.00 1.46 H new ATOM 0 HB3 PRO B 115 -0.931 19.212 16.504 1.00 1.46 H new ATOM 0 HG2 PRO B 115 -3.107 17.093 16.360 1.00 1.39 H new ATOM 0 HG3 PRO B 115 -2.908 18.455 15.275 1.00 1.39 H new ATOM 0 HD2 PRO B 115 -1.743 16.225 14.511 1.00 1.21 H new ATOM 0 HD3 PRO B 115 -0.707 17.639 14.522 1.00 1.21 H new ATOM 1437 N GLY B 116 -1.187 16.303 19.613 1.00 1.35 N ATOM 1438 CA GLY B 116 -1.891 15.605 20.646 1.00 1.48 C ATOM 1439 C GLY B 116 -1.944 14.137 20.428 1.00 1.44 C ATOM 1440 O GLY B 116 -2.570 13.412 21.203 1.00 1.70 O ATOM 0 H GLY B 116 -0.259 16.627 19.885 1.00 1.35 H new ATOM 0 HA2 GLY B 116 -1.411 15.807 21.604 1.00 1.48 H new ATOM 0 HA3 GLY B 116 -2.907 15.993 20.710 1.00 1.48 H new ATOM 1444 N GLY B 117 -1.230 13.677 19.436 1.00 1.29 N ATOM 1445 CA GLY B 117 -1.181 12.290 19.198 1.00 1.26 C ATOM 1446 C GLY B 117 -2.438 11.710 18.563 1.00 1.26 C ATOM 1447 O GLY B 117 -2.805 10.565 18.835 1.00 1.38 O ATOM 0 H GLY B 117 -0.684 14.250 18.793 1.00 1.29 H new ATOM 0 HA2 GLY B 117 -0.331 12.076 18.550 1.00 1.26 H new ATOM 0 HA3 GLY B 117 -0.998 11.779 20.143 1.00 1.26 H new ATOM 1451 N LYS B 118 -3.088 12.510 17.711 1.00 1.19 N ATOM 1452 CA LYS B 118 -4.284 12.084 17.010 1.00 1.25 C ATOM 1453 C LYS B 118 -3.927 11.475 15.648 1.00 1.15 C ATOM 1454 O LYS B 118 -4.798 11.308 14.798 1.00 1.25 O ATOM 1455 CB LYS B 118 -5.281 13.234 16.832 1.00 1.30 C ATOM 1456 CG LYS B 118 -4.922 14.515 17.576 1.00 1.36 C ATOM 1457 CD LYS B 118 -6.114 15.092 18.322 1.00 1.78 C ATOM 1458 CE LYS B 118 -6.699 16.296 17.601 1.00 1.95 C ATOM 1459 NZ LYS B 118 -5.661 17.315 17.277 1.00 2.54 N ATOM 0 H LYS B 118 -2.795 13.463 17.495 1.00 1.19 H new ATOM 0 HA LYS B 118 -4.763 11.321 17.624 1.00 1.25 H new ATOM 0 HB2 LYS B 118 -5.367 13.460 15.769 1.00 1.30 H new ATOM 0 HB3 LYS B 118 -6.263 12.900 17.167 1.00 1.30 H new ATOM 0 HG2 LYS B 118 -4.117 14.311 18.282 1.00 1.36 H new ATOM 0 HG3 LYS B 118 -4.546 15.253 16.867 1.00 1.36 H new ATOM 0 HD2 LYS B 118 -6.881 14.325 18.431 1.00 1.78 H new ATOM 0 HD3 LYS B 118 -5.808 15.383 19.327 1.00 1.78 H new ATOM 0 HE2 LYS B 118 -7.183 15.967 16.681 1.00 1.95 H new ATOM 0 HE3 LYS B 118 -7.471 16.750 18.222 1.00 1.95 H new ATOM 0 HZ1 LYS B 118 -6.024 18.263 17.502 1.00 2.54 H new ATOM 0 HZ2 LYS B 118 -4.805 17.129 17.838 1.00 2.54 H new ATOM 0 HZ3 LYS B 118 -5.429 17.264 16.265 1.00 2.54 H new ATOM 1473 N GLY B 119 -2.642 11.156 15.442 1.00 1.04 N ATOM 1474 CA GLY B 119 -2.184 10.554 14.192 1.00 0.97 C ATOM 1475 C GLY B 119 -1.675 9.166 14.496 1.00 0.93 C ATOM 1476 O GLY B 119 -1.958 8.690 15.594 1.00 1.02 O ATOM 0 H GLY B 119 -1.903 11.307 16.129 1.00 1.04 H new ATOM 0 HA2 GLY B 119 -2.999 10.510 13.470 1.00 0.97 H new ATOM 0 HA3 GLY B 119 -1.395 11.159 13.745 1.00 0.97 H new ATOM 1480 N ARG B 120 -0.755 8.543 13.750 1.00 0.87 N ATOM 1481 CA ARG B 120 -0.190 7.276 14.172 1.00 0.87 C ATOM 1482 C ARG B 120 1.284 7.384 13.726 1.00 0.80 C ATOM 1483 O ARG B 120 1.574 8.190 12.837 1.00 0.79 O ATOM 1484 CB ARG B 120 -0.876 6.074 13.492 1.00 0.95 C ATOM 1485 CG ARG B 120 -1.441 5.055 14.474 1.00 1.16 C ATOM 1486 CD ARG B 120 -2.869 4.669 14.121 1.00 1.60 C ATOM 1487 NE ARG B 120 -2.944 3.935 12.861 1.00 1.82 N ATOM 1488 CZ ARG B 120 -4.067 3.774 12.166 1.00 2.25 C ATOM 1489 NH1 ARG B 120 -5.207 4.290 12.608 1.00 2.62 N ATOM 1490 NH2 ARG B 120 -4.049 3.096 11.027 1.00 2.89 N ATOM 0 H ARG B 120 -0.396 8.898 12.864 1.00 0.87 H new ATOM 0 HA ARG B 120 -0.316 7.104 15.241 1.00 0.87 H new ATOM 0 HB2 ARG B 120 -1.683 6.439 12.857 1.00 0.95 H new ATOM 0 HB3 ARG B 120 -0.157 5.577 12.840 1.00 0.95 H new ATOM 0 HG2 ARG B 120 -0.813 4.164 14.476 1.00 1.16 H new ATOM 0 HG3 ARG B 120 -1.414 5.467 15.483 1.00 1.16 H new ATOM 0 HD2 ARG B 120 -3.287 4.058 14.921 1.00 1.60 H new ATOM 0 HD3 ARG B 120 -3.481 5.568 14.053 1.00 1.60 H new ATOM 0 HE ARG B 120 -2.087 3.522 12.493 1.00 1.82 H new ATOM 0 HH11 ARG B 120 -5.225 4.813 13.484 1.00 2.62 H new ATOM 0 HH12 ARG B 120 -6.066 4.164 12.072 1.00 2.62 H new ATOM 0 HH21 ARG B 120 -3.175 2.698 10.684 1.00 2.89 H new ATOM 0 HH22 ARG B 120 -4.910 2.972 10.494 1.00 2.89 H new ATOM 1504 N CYS B 121 2.217 6.649 14.320 1.00 0.82 N ATOM 1505 CA CYS B 121 3.631 6.792 13.915 1.00 0.81 C ATOM 1506 C CYS B 121 4.126 5.575 13.143 1.00 0.85 C ATOM 1507 O CYS B 121 3.662 4.459 13.360 1.00 1.05 O ATOM 1508 CB CYS B 121 4.548 7.023 15.130 1.00 0.91 C ATOM 1509 SG CYS B 121 4.622 8.745 15.740 1.00 1.07 S ATOM 0 H CYS B 121 2.042 5.968 15.059 1.00 0.82 H new ATOM 0 HA CYS B 121 3.674 7.665 13.263 1.00 0.81 H new ATOM 0 HB2 CYS B 121 4.212 6.381 15.944 1.00 0.91 H new ATOM 0 HB3 CYS B 121 5.557 6.704 14.868 1.00 0.91 H new ATOM 1514 N PHE B 122 5.084 5.810 12.237 1.00 0.76 N ATOM 1515 CA PHE B 122 5.661 4.737 11.419 1.00 0.84 C ATOM 1516 C PHE B 122 7.187 4.749 11.490 1.00 0.95 C ATOM 1517 O PHE B 122 7.812 3.728 11.780 1.00 1.44 O ATOM 1518 CB PHE B 122 5.214 4.886 9.962 1.00 0.86 C ATOM 1519 CG PHE B 122 3.738 4.698 9.779 1.00 0.86 C ATOM 1520 CD1 PHE B 122 2.853 5.699 10.141 1.00 1.42 C ATOM 1521 CD2 PHE B 122 3.235 3.513 9.266 1.00 1.41 C ATOM 1522 CE1 PHE B 122 1.491 5.524 9.994 1.00 1.50 C ATOM 1523 CE2 PHE B 122 1.873 3.333 9.113 1.00 1.53 C ATOM 1524 CZ PHE B 122 1.000 4.341 9.479 1.00 1.15 C ATOM 0 H PHE B 122 5.475 6.734 12.052 1.00 0.76 H new ATOM 0 HA PHE B 122 5.304 3.786 11.814 1.00 0.84 H new ATOM 0 HB2 PHE B 122 5.496 5.875 9.601 1.00 0.86 H new ATOM 0 HB3 PHE B 122 5.746 4.159 9.349 1.00 0.86 H new ATOM 0 HD1 PHE B 122 3.232 6.627 10.543 1.00 1.42 H new ATOM 0 HD2 PHE B 122 3.914 2.722 8.983 1.00 1.41 H new ATOM 0 HE1 PHE B 122 0.811 6.312 10.282 1.00 1.50 H new ATOM 0 HE2 PHE B 122 1.492 2.407 8.708 1.00 1.53 H new ATOM 0 HZ PHE B 122 -0.065 4.203 9.362 1.00 1.15 H new ATOM 1534 N GLY B 123 7.782 5.908 11.219 1.00 0.84 N ATOM 1535 CA GLY B 123 9.230 6.031 11.255 1.00 0.89 C ATOM 1536 C GLY B 123 9.697 7.057 12.271 1.00 0.89 C ATOM 1537 O GLY B 123 8.896 7.549 13.063 1.00 0.90 O ATOM 0 H GLY B 123 7.287 6.765 10.975 1.00 0.84 H new ATOM 0 HA2 GLY B 123 9.669 5.062 11.493 1.00 0.89 H new ATOM 0 HA3 GLY B 123 9.593 6.311 10.266 1.00 0.89 H new ATOM 1541 N PRO B 124 10.999 7.400 12.282 1.00 1.02 N ATOM 1542 CA PRO B 124 11.553 8.376 13.227 1.00 1.08 C ATOM 1543 C PRO B 124 11.067 9.802 12.960 1.00 0.96 C ATOM 1544 O PRO B 124 10.424 10.412 13.814 1.00 1.02 O ATOM 1545 CB PRO B 124 13.072 8.273 13.020 1.00 1.33 C ATOM 1546 CG PRO B 124 13.284 7.041 12.201 1.00 1.51 C ATOM 1547 CD PRO B 124 12.034 6.863 11.390 1.00 1.26 C ATOM 0 HA PRO B 124 11.239 8.162 14.249 1.00 1.08 H new ATOM 0 HB2 PRO B 124 13.458 9.155 12.509 1.00 1.33 H new ATOM 0 HB3 PRO B 124 13.594 8.204 13.974 1.00 1.33 H new ATOM 0 HG2 PRO B 124 14.156 7.147 11.556 1.00 1.51 H new ATOM 0 HG3 PRO B 124 13.462 6.175 12.838 1.00 1.51 H new ATOM 0 HD2 PRO B 124 12.080 7.408 10.447 1.00 1.26 H new ATOM 0 HD3 PRO B 124 11.855 5.816 11.144 1.00 1.26 H new ATOM 1555 N SER B 125 11.376 10.330 11.776 1.00 0.97 N ATOM 1556 CA SER B 125 10.961 11.684 11.412 1.00 0.92 C ATOM 1557 C SER B 125 9.699 11.653 10.559 1.00 0.76 C ATOM 1558 O SER B 125 9.480 12.541 9.741 1.00 0.78 O ATOM 1559 CB SER B 125 12.084 12.414 10.647 1.00 1.12 C ATOM 1560 OG SER B 125 12.801 13.283 11.507 1.00 1.25 O ATOM 0 H SER B 125 11.910 9.843 11.056 1.00 0.97 H new ATOM 0 HA SER B 125 10.751 12.225 12.335 1.00 0.92 H new ATOM 0 HB2 SER B 125 12.766 11.684 10.211 1.00 1.12 H new ATOM 0 HB3 SER B 125 11.656 12.984 9.822 1.00 1.12 H new ATOM 0 HG SER B 125 13.509 13.734 11.001 1.00 1.25 H new ATOM 1566 N ILE B 126 8.882 10.611 10.716 1.00 0.70 N ATOM 1567 CA ILE B 126 7.682 10.487 9.916 1.00 0.60 C ATOM 1568 C ILE B 126 6.478 9.948 10.697 1.00 0.57 C ATOM 1569 O ILE B 126 6.494 8.829 11.217 1.00 0.74 O ATOM 1570 CB ILE B 126 7.932 9.586 8.697 1.00 0.60 C ATOM 1571 CG1 ILE B 126 9.278 9.917 8.053 1.00 0.79 C ATOM 1572 CG2 ILE B 126 6.809 9.759 7.698 1.00 0.72 C ATOM 1573 CD1 ILE B 126 9.948 8.729 7.396 1.00 0.85 C ATOM 0 H ILE B 126 9.033 9.854 11.383 1.00 0.70 H new ATOM 0 HA ILE B 126 7.437 11.500 9.597 1.00 0.60 H new ATOM 0 HB ILE B 126 7.960 8.546 9.024 1.00 0.60 H new ATOM 0 HG12 ILE B 126 9.131 10.698 7.307 1.00 0.79 H new ATOM 0 HG13 ILE B 126 9.944 10.324 8.814 1.00 0.79 H new ATOM 0 HG21 ILE B 126 6.989 9.119 6.834 1.00 0.72 H new ATOM 0 HG22 ILE B 126 5.863 9.484 8.163 1.00 0.72 H new ATOM 0 HG23 ILE B 126 6.766 10.799 7.376 1.00 0.72 H new ATOM 0 HD11 ILE B 126 10.898 9.041 6.961 1.00 0.85 H new ATOM 0 HD12 ILE B 126 10.128 7.954 8.141 1.00 0.85 H new ATOM 0 HD13 ILE B 126 9.302 8.335 6.612 1.00 0.85 H new ATOM 1585 N CYS B 127 5.424 10.756 10.730 1.00 0.54 N ATOM 1586 CA CYS B 127 4.169 10.399 11.385 1.00 0.53 C ATOM 1587 C CYS B 127 3.063 10.452 10.325 1.00 0.53 C ATOM 1588 O CYS B 127 3.119 11.306 9.450 1.00 0.56 O ATOM 1589 CB CYS B 127 3.912 11.356 12.557 1.00 0.56 C ATOM 1590 SG CYS B 127 2.331 12.256 12.503 1.00 0.89 S ATOM 0 H CYS B 127 5.415 11.682 10.301 1.00 0.54 H new ATOM 0 HA CYS B 127 4.202 9.393 11.804 1.00 0.53 H new ATOM 0 HB2 CYS B 127 3.954 10.785 13.485 1.00 0.56 H new ATOM 0 HB3 CYS B 127 4.723 12.083 12.594 1.00 0.56 H new ATOM 1595 N CYS B 128 2.114 9.507 10.342 1.00 0.53 N ATOM 1596 CA CYS B 128 1.085 9.458 9.286 1.00 0.56 C ATOM 1597 C CYS B 128 -0.324 9.047 9.747 1.00 0.60 C ATOM 1598 O CYS B 128 -0.531 7.842 9.915 1.00 0.76 O ATOM 1599 CB CYS B 128 1.513 8.367 8.276 1.00 0.63 C ATOM 1600 SG CYS B 128 1.846 8.921 6.603 1.00 1.23 S ATOM 0 H CYS B 128 2.034 8.781 11.054 1.00 0.53 H new ATOM 0 HA CYS B 128 1.022 10.473 8.894 1.00 0.56 H new ATOM 0 HB2 CYS B 128 2.409 7.878 8.659 1.00 0.63 H new ATOM 0 HB3 CYS B 128 0.729 7.611 8.236 1.00 0.63 H new ATOM 1605 N GLY B 129 -1.368 9.917 9.856 1.00 0.60 N ATOM 1606 CA GLY B 129 -2.645 9.375 10.168 1.00 0.65 C ATOM 1607 C GLY B 129 -3.484 9.503 8.929 1.00 0.66 C ATOM 1608 O GLY B 129 -2.964 9.814 7.852 1.00 0.64 O ATOM 0 H GLY B 129 -1.322 10.929 9.734 1.00 0.60 H new ATOM 0 HA2 GLY B 129 -2.559 8.331 10.471 1.00 0.65 H new ATOM 0 HA3 GLY B 129 -3.100 9.912 11.000 1.00 0.65 H new ATOM 1612 N ASP B 130 -4.759 9.289 9.050 1.00 0.72 N ATOM 1613 CA ASP B 130 -5.628 9.370 7.905 1.00 0.76 C ATOM 1614 C ASP B 130 -5.622 10.760 7.335 1.00 0.77 C ATOM 1615 O ASP B 130 -5.160 10.972 6.206 1.00 0.81 O ATOM 1616 CB ASP B 130 -7.035 8.928 8.300 1.00 0.84 C ATOM 1617 CG ASP B 130 -7.852 8.462 7.111 1.00 1.47 C ATOM 1618 OD1 ASP B 130 -7.438 7.484 6.450 1.00 1.96 O ATOM 1619 OD2 ASP B 130 -8.909 9.068 6.845 1.00 2.35 O ATOM 0 H ASP B 130 -5.225 9.057 9.927 1.00 0.72 H new ATOM 0 HA ASP B 130 -5.265 8.700 7.125 1.00 0.76 H new ATOM 0 HB2 ASP B 130 -6.967 8.121 9.029 1.00 0.84 H new ATOM 0 HB3 ASP B 130 -7.549 9.756 8.788 1.00 0.84 H new ATOM 1624 N GLU B 131 -6.211 11.694 8.029 1.00 0.79 N ATOM 1625 CA GLU B 131 -6.321 13.045 7.517 1.00 0.85 C ATOM 1626 C GLU B 131 -5.401 13.964 8.277 1.00 0.89 C ATOM 1627 O GLU B 131 -5.606 15.175 8.380 1.00 1.03 O ATOM 1628 CB GLU B 131 -7.770 13.544 7.711 1.00 0.93 C ATOM 1629 CG GLU B 131 -8.741 12.530 8.319 1.00 1.02 C ATOM 1630 CD GLU B 131 -10.132 12.618 7.719 1.00 1.16 C ATOM 1631 OE1 GLU B 131 -10.804 13.650 7.932 1.00 1.69 O ATOM 1632 OE2 GLU B 131 -10.552 11.657 7.042 1.00 1.63 O ATOM 0 H GLU B 131 -6.624 11.552 8.951 1.00 0.79 H new ATOM 0 HA GLU B 131 -6.051 13.044 6.461 1.00 0.85 H new ATOM 0 HB2 GLU B 131 -7.749 14.428 8.349 1.00 0.93 H new ATOM 0 HB3 GLU B 131 -8.160 13.859 6.743 1.00 0.93 H new ATOM 0 HG2 GLU B 131 -8.349 11.524 8.171 1.00 1.02 H new ATOM 0 HG3 GLU B 131 -8.803 12.693 9.395 1.00 1.02 H new ATOM 1639 N LEU B 132 -4.326 13.364 8.667 1.00 0.83 N ATOM 1640 CA LEU B 132 -3.253 13.959 9.310 1.00 0.89 C ATOM 1641 C LEU B 132 -2.048 13.561 8.456 1.00 0.83 C ATOM 1642 O LEU B 132 -0.940 14.065 8.627 1.00 0.91 O ATOM 1643 CB LEU B 132 -3.194 13.377 10.699 1.00 0.93 C ATOM 1644 CG LEU B 132 -3.653 14.301 11.835 1.00 1.16 C ATOM 1645 CD1 LEU B 132 -3.595 13.577 13.164 1.00 1.25 C ATOM 1646 CD2 LEU B 132 -2.829 15.576 11.890 1.00 1.38 C ATOM 0 H LEU B 132 -4.186 12.364 8.522 1.00 0.83 H new ATOM 0 HA LEU B 132 -3.306 15.043 9.412 1.00 0.89 H new ATOM 0 HB2 LEU B 132 -3.807 12.476 10.720 1.00 0.93 H new ATOM 0 HB3 LEU B 132 -2.168 13.070 10.899 1.00 0.93 H new ATOM 0 HG LEU B 132 -4.686 14.584 11.631 1.00 1.16 H new ATOM 0 HD11 LEU B 132 -3.924 14.247 13.958 1.00 1.25 H new ATOM 0 HD12 LEU B 132 -4.248 12.705 13.132 1.00 1.25 H new ATOM 0 HD13 LEU B 132 -2.572 13.257 13.360 1.00 1.25 H new ATOM 0 HD21 LEU B 132 -3.184 16.204 12.707 1.00 1.38 H new ATOM 0 HD22 LEU B 132 -1.781 15.325 12.054 1.00 1.38 H new ATOM 0 HD23 LEU B 132 -2.929 16.115 10.948 1.00 1.38 H new ATOM 1658 N GLY B 133 -2.340 12.711 7.447 1.00 0.72 N ATOM 1659 CA GLY B 133 -1.387 12.317 6.492 1.00 0.70 C ATOM 1660 C GLY B 133 -0.039 11.964 7.052 1.00 0.66 C ATOM 1661 O GLY B 133 0.039 11.121 7.933 1.00 0.65 O ATOM 0 H GLY B 133 -3.262 12.299 7.307 1.00 0.72 H new ATOM 0 HA2 GLY B 133 -1.775 11.456 5.947 1.00 0.70 H new ATOM 0 HA3 GLY B 133 -1.264 13.123 5.769 1.00 0.70 H new ATOM 1665 N CYS B 134 1.027 12.617 6.587 1.00 0.69 N ATOM 1666 CA CYS B 134 2.343 12.310 7.101 1.00 0.68 C ATOM 1667 C CYS B 134 3.189 13.509 7.382 1.00 0.64 C ATOM 1668 O CYS B 134 3.762 14.097 6.462 1.00 0.62 O ATOM 1669 CB CYS B 134 3.130 11.472 6.131 1.00 0.72 C ATOM 1670 SG CYS B 134 3.601 9.867 6.785 1.00 1.08 S ATOM 0 H CYS B 134 0.999 13.344 5.872 1.00 0.69 H new ATOM 0 HA CYS B 134 2.137 11.785 8.034 1.00 0.68 H new ATOM 0 HB2 CYS B 134 2.539 11.327 5.226 1.00 0.72 H new ATOM 0 HB3 CYS B 134 4.029 12.015 5.841 1.00 0.72 H new ATOM 1675 N PHE B 135 3.340 13.833 8.644 1.00 0.67 N ATOM 1676 CA PHE B 135 4.201 14.911 8.982 1.00 0.66 C ATOM 1677 C PHE B 135 5.550 14.275 8.921 1.00 0.64 C ATOM 1678 O PHE B 135 5.900 13.469 9.787 1.00 0.64 O ATOM 1679 CB PHE B 135 3.878 15.445 10.374 1.00 0.70 C ATOM 1680 CG PHE B 135 2.448 15.870 10.493 1.00 0.72 C ATOM 1681 CD1 PHE B 135 2.037 17.085 9.989 1.00 0.96 C ATOM 1682 CD2 PHE B 135 1.508 15.046 11.073 1.00 1.15 C ATOM 1683 CE1 PHE B 135 0.720 17.474 10.059 1.00 1.19 C ATOM 1684 CE2 PHE B 135 0.189 15.426 11.151 1.00 1.36 C ATOM 1685 CZ PHE B 135 -0.208 16.643 10.639 1.00 1.23 C ATOM 0 H PHE B 135 2.884 13.370 9.430 1.00 0.67 H new ATOM 0 HA PHE B 135 4.112 15.776 8.325 1.00 0.66 H new ATOM 0 HB2 PHE B 135 4.090 14.675 11.116 1.00 0.70 H new ATOM 0 HB3 PHE B 135 4.528 16.291 10.598 1.00 0.70 H new ATOM 0 HD1 PHE B 135 2.761 17.743 9.531 1.00 0.96 H new ATOM 0 HD2 PHE B 135 1.811 14.089 11.472 1.00 1.15 H new ATOM 0 HE1 PHE B 135 0.416 18.430 9.659 1.00 1.19 H new ATOM 0 HE2 PHE B 135 -0.536 14.772 11.613 1.00 1.36 H new ATOM 0 HZ PHE B 135 -1.244 16.942 10.694 1.00 1.23 H new ATOM 1695 N VAL B 136 6.297 14.572 7.882 1.00 0.66 N ATOM 1696 CA VAL B 136 7.568 13.940 7.750 1.00 0.68 C ATOM 1697 C VAL B 136 8.638 14.865 8.266 1.00 0.71 C ATOM 1698 O VAL B 136 9.297 15.608 7.535 1.00 0.74 O ATOM 1699 CB VAL B 136 7.837 13.466 6.304 1.00 0.73 C ATOM 1700 CG1 VAL B 136 9.014 12.512 6.273 1.00 0.75 C ATOM 1701 CG2 VAL B 136 6.584 12.806 5.699 1.00 0.74 C ATOM 0 H VAL B 136 6.048 15.228 7.142 1.00 0.66 H new ATOM 0 HA VAL B 136 7.576 13.033 8.354 1.00 0.68 H new ATOM 0 HB VAL B 136 8.082 14.338 5.698 1.00 0.73 H new ATOM 0 HG11 VAL B 136 9.192 12.186 5.248 1.00 0.75 H new ATOM 0 HG12 VAL B 136 9.902 13.017 6.652 1.00 0.75 H new ATOM 0 HG13 VAL B 136 8.796 11.645 6.896 1.00 0.75 H new ATOM 0 HG21 VAL B 136 6.799 12.481 4.681 1.00 0.74 H new ATOM 0 HG22 VAL B 136 6.299 11.944 6.302 1.00 0.74 H new ATOM 0 HG23 VAL B 136 5.765 13.525 5.685 1.00 0.74 H new ATOM 1711 N GLY B 137 8.791 14.772 9.571 1.00 0.72 N ATOM 1712 CA GLY B 137 9.807 15.565 10.267 1.00 0.76 C ATOM 1713 C GLY B 137 9.303 16.849 10.922 1.00 0.73 C ATOM 1714 O GLY B 137 9.357 17.924 10.322 1.00 0.83 O ATOM 0 H GLY B 137 8.236 14.165 10.174 1.00 0.72 H new ATOM 0 HA2 GLY B 137 10.266 14.942 11.035 1.00 0.76 H new ATOM 0 HA3 GLY B 137 10.591 15.824 9.556 1.00 0.76 H new ATOM 1718 N THR B 138 8.863 16.730 12.173 1.00 0.69 N ATOM 1719 CA THR B 138 8.383 17.868 12.966 1.00 0.70 C ATOM 1720 C THR B 138 8.145 17.401 14.406 1.00 0.73 C ATOM 1721 O THR B 138 8.283 16.212 14.685 1.00 0.77 O ATOM 1722 CB THR B 138 7.135 18.529 12.360 1.00 0.73 C ATOM 1723 OG1 THR B 138 6.124 18.698 13.338 1.00 0.78 O ATOM 1724 CG2 THR B 138 6.534 17.783 11.180 1.00 0.77 C ATOM 0 H THR B 138 8.828 15.840 12.670 1.00 0.69 H new ATOM 0 HA THR B 138 9.148 18.644 12.960 1.00 0.70 H new ATOM 0 HB THR B 138 7.491 19.491 11.990 1.00 0.73 H new ATOM 0 HG1 THR B 138 5.245 18.553 12.929 1.00 0.78 H new ATOM 0 HG21 THR B 138 5.658 18.321 10.817 1.00 0.77 H new ATOM 0 HG22 THR B 138 7.272 17.710 10.381 1.00 0.77 H new ATOM 0 HG23 THR B 138 6.240 16.782 11.494 1.00 0.77 H new ATOM 1732 N ALA B 139 7.786 18.306 15.328 1.00 0.79 N ATOM 1733 CA ALA B 139 7.586 17.906 16.724 1.00 0.88 C ATOM 1734 C ALA B 139 6.567 16.783 16.870 1.00 0.83 C ATOM 1735 O ALA B 139 6.725 15.918 17.730 1.00 0.87 O ATOM 1736 CB ALA B 139 7.187 19.111 17.558 1.00 1.04 C ATOM 0 H ALA B 139 7.632 19.296 15.137 1.00 0.79 H new ATOM 0 HA ALA B 139 8.534 17.513 17.091 1.00 0.88 H new ATOM 0 HB1 ALA B 139 7.041 18.804 18.594 1.00 1.04 H new ATOM 0 HB2 ALA B 139 7.974 19.863 17.510 1.00 1.04 H new ATOM 0 HB3 ALA B 139 6.259 19.531 17.169 1.00 1.04 H new ATOM 1742 N GLU B 140 5.480 16.827 16.114 1.00 0.79 N ATOM 1743 CA GLU B 140 4.449 15.793 16.248 1.00 0.79 C ATOM 1744 C GLU B 140 5.037 14.403 16.004 1.00 0.73 C ATOM 1745 O GLU B 140 4.416 13.394 16.326 1.00 0.79 O ATOM 1746 CB GLU B 140 3.274 16.040 15.298 1.00 0.83 C ATOM 1747 CG GLU B 140 3.532 15.597 13.870 1.00 1.27 C ATOM 1748 CD GLU B 140 4.521 16.495 13.174 1.00 1.55 C ATOM 1749 OE1 GLU B 140 5.740 16.255 13.307 1.00 1.90 O ATOM 1750 OE2 GLU B 140 4.078 17.454 12.508 1.00 2.31 O ATOM 0 H GLU B 140 5.285 17.545 15.417 1.00 0.79 H new ATOM 0 HA GLU B 140 4.073 15.843 17.270 1.00 0.79 H new ATOM 0 HB2 GLU B 140 2.397 15.516 15.677 1.00 0.83 H new ATOM 0 HB3 GLU B 140 3.036 17.104 15.300 1.00 0.83 H new ATOM 0 HG2 GLU B 140 3.908 14.574 13.869 1.00 1.27 H new ATOM 0 HG3 GLU B 140 2.593 15.592 13.316 1.00 1.27 H new ATOM 1757 N ALA B 141 6.245 14.365 15.446 1.00 0.69 N ATOM 1758 CA ALA B 141 6.913 13.115 15.168 1.00 0.70 C ATOM 1759 C ALA B 141 7.695 12.660 16.384 1.00 0.77 C ATOM 1760 O ALA B 141 7.906 11.479 16.560 1.00 0.87 O ATOM 1761 CB ALA B 141 7.812 13.242 13.948 1.00 0.75 C ATOM 0 H ALA B 141 6.776 15.194 15.180 1.00 0.69 H new ATOM 0 HA ALA B 141 6.161 12.358 14.943 1.00 0.70 H new ATOM 0 HB1 ALA B 141 8.304 12.288 13.758 1.00 0.75 H new ATOM 0 HB2 ALA B 141 7.212 13.520 13.081 1.00 0.75 H new ATOM 0 HB3 ALA B 141 8.565 14.009 14.129 1.00 0.75 H new ATOM 1767 N LEU B 142 8.185 13.595 17.193 1.00 0.80 N ATOM 1768 CA LEU B 142 8.977 13.230 18.371 1.00 0.93 C ATOM 1769 C LEU B 142 8.407 12.014 19.105 1.00 1.06 C ATOM 1770 O LEU B 142 9.157 11.124 19.506 1.00 1.24 O ATOM 1771 CB LEU B 142 9.107 14.423 19.321 1.00 0.97 C ATOM 1772 CG LEU B 142 10.307 15.343 19.060 1.00 1.01 C ATOM 1773 CD1 LEU B 142 9.881 16.804 19.086 1.00 1.11 C ATOM 1774 CD2 LEU B 142 11.408 15.097 20.078 1.00 1.14 C ATOM 0 H LEU B 142 8.052 14.598 17.061 1.00 0.80 H new ATOM 0 HA LEU B 142 9.969 12.950 18.016 1.00 0.93 H new ATOM 0 HB2 LEU B 142 8.195 15.017 19.259 1.00 0.97 H new ATOM 0 HB3 LEU B 142 9.174 14.047 20.342 1.00 0.97 H new ATOM 0 HG LEU B 142 10.697 15.113 18.068 1.00 1.01 H new ATOM 0 HD11 LEU B 142 10.747 17.439 18.899 1.00 1.11 H new ATOM 0 HD12 LEU B 142 9.130 16.978 18.315 1.00 1.11 H new ATOM 0 HD13 LEU B 142 9.460 17.043 20.063 1.00 1.11 H new ATOM 0 HD21 LEU B 142 12.248 15.760 19.873 1.00 1.14 H new ATOM 0 HD22 LEU B 142 11.027 15.293 21.080 1.00 1.14 H new ATOM 0 HD23 LEU B 142 11.740 14.061 20.012 1.00 1.14 H new ATOM 1786 N ARG B 143 7.082 11.948 19.244 1.00 1.06 N ATOM 1787 CA ARG B 143 6.449 10.791 19.889 1.00 1.26 C ATOM 1788 C ARG B 143 6.845 9.526 19.111 1.00 1.27 C ATOM 1789 O ARG B 143 6.744 8.405 19.598 1.00 1.49 O ATOM 1790 CB ARG B 143 4.931 10.979 19.942 1.00 1.35 C ATOM 1791 CG ARG B 143 4.233 10.099 20.969 1.00 1.36 C ATOM 1792 CD ARG B 143 4.821 10.258 22.366 1.00 1.50 C ATOM 1793 NE ARG B 143 4.506 11.559 22.957 1.00 1.90 N ATOM 1794 CZ ARG B 143 3.622 11.743 23.940 1.00 2.20 C ATOM 1795 NH1 ARG B 143 2.935 10.720 24.435 1.00 2.36 N ATOM 1796 NH2 ARG B 143 3.419 12.961 24.426 1.00 2.93 N ATOM 0 H ARG B 143 6.433 12.668 18.925 1.00 1.06 H new ATOM 0 HA ARG B 143 6.792 10.692 20.919 1.00 1.26 H new ATOM 0 HB2 ARG B 143 4.712 12.023 20.165 1.00 1.35 H new ATOM 0 HB3 ARG B 143 4.515 10.770 18.957 1.00 1.35 H new ATOM 0 HG2 ARG B 143 3.172 10.346 20.994 1.00 1.36 H new ATOM 0 HG3 ARG B 143 4.310 9.056 20.662 1.00 1.36 H new ATOM 0 HD2 ARG B 143 4.439 9.467 23.011 1.00 1.50 H new ATOM 0 HD3 ARG B 143 5.903 10.136 22.318 1.00 1.50 H new ATOM 0 HE ARG B 143 4.993 12.378 22.594 1.00 1.90 H new ATOM 0 HH11 ARG B 143 3.080 9.781 24.064 1.00 2.36 H new ATOM 0 HH12 ARG B 143 2.262 10.873 25.186 1.00 2.36 H new ATOM 0 HH21 ARG B 143 3.938 13.754 24.048 1.00 2.93 H new ATOM 0 HH22 ARG B 143 2.744 13.104 25.177 1.00 2.93 H new ATOM 1810 N CYS B 144 7.197 9.757 17.854 1.00 1.10 N ATOM 1811 CA CYS B 144 7.554 8.656 16.950 1.00 1.17 C ATOM 1812 C CYS B 144 8.860 7.976 17.412 1.00 1.44 C ATOM 1813 O CYS B 144 9.250 6.949 16.865 1.00 1.61 O ATOM 1814 CB CYS B 144 7.686 9.107 15.489 1.00 1.05 C ATOM 1815 SG CYS B 144 6.125 9.614 14.674 1.00 1.26 S ATOM 0 H CYS B 144 7.245 10.685 17.433 1.00 1.10 H new ATOM 0 HA CYS B 144 6.734 7.939 16.994 1.00 1.17 H new ATOM 0 HB2 CYS B 144 8.385 9.942 15.447 1.00 1.05 H new ATOM 0 HB3 CYS B 144 8.127 8.293 14.914 1.00 1.05 H new ATOM 1820 N GLN B 145 9.510 8.537 18.442 1.00 1.58 N ATOM 1821 CA GLN B 145 10.750 7.961 18.980 1.00 1.89 C ATOM 1822 C GLN B 145 10.470 6.751 19.877 1.00 2.14 C ATOM 1823 O GLN B 145 11.396 6.062 20.319 1.00 2.40 O ATOM 1824 CB GLN B 145 11.521 9.010 19.785 1.00 2.00 C ATOM 1825 CG GLN B 145 12.238 10.038 18.926 1.00 2.43 C ATOM 1826 CD GLN B 145 12.761 11.209 19.734 1.00 2.77 C ATOM 1827 OE1 GLN B 145 12.038 11.799 20.537 1.00 3.35 O ATOM 1828 NE2 GLN B 145 14.028 11.551 19.526 1.00 3.05 N ATOM 0 H GLN B 145 9.199 9.385 18.917 1.00 1.58 H new ATOM 0 HA GLN B 145 11.347 7.633 18.129 1.00 1.89 H new ATOM 0 HB2 GLN B 145 10.828 9.526 20.450 1.00 2.00 H new ATOM 0 HB3 GLN B 145 12.252 8.505 20.416 1.00 2.00 H new ATOM 0 HG2 GLN B 145 13.069 9.558 18.409 1.00 2.43 H new ATOM 0 HG3 GLN B 145 11.555 10.406 18.160 1.00 2.43 H new ATOM 0 HE21 GLN B 145 14.591 11.034 18.851 1.00 3.05 H new ATOM 0 HE22 GLN B 145 14.437 12.330 20.042 1.00 3.05 H new ATOM 1837 N GLU B 146 9.200 6.480 20.143 1.00 2.12 N ATOM 1838 CA GLU B 146 8.852 5.361 21.005 1.00 2.41 C ATOM 1839 C GLU B 146 8.755 4.066 20.207 1.00 2.40 C ATOM 1840 O GLU B 146 8.467 3.000 20.761 1.00 2.57 O ATOM 1841 CB GLU B 146 7.535 5.652 21.732 1.00 2.47 C ATOM 1842 CG GLU B 146 7.690 5.794 23.238 1.00 2.88 C ATOM 1843 CD GLU B 146 8.042 7.204 23.668 1.00 3.26 C ATOM 1844 OE1 GLU B 146 7.248 8.126 23.386 1.00 3.76 O ATOM 1845 OE2 GLU B 146 9.108 7.385 24.294 1.00 3.59 O ATOM 0 H GLU B 146 8.407 7.009 19.782 1.00 2.12 H new ATOM 0 HA GLU B 146 9.642 5.235 21.746 1.00 2.41 H new ATOM 0 HB2 GLU B 146 7.103 6.569 21.331 1.00 2.47 H new ATOM 0 HB3 GLU B 146 6.828 4.849 21.522 1.00 2.47 H new ATOM 0 HG2 GLU B 146 6.761 5.494 23.723 1.00 2.88 H new ATOM 0 HG3 GLU B 146 8.466 5.111 23.584 1.00 2.88 H new ATOM 1852 N GLU B 147 9.064 4.143 18.915 1.00 2.27 N ATOM 1853 CA GLU B 147 9.059 2.955 18.086 1.00 2.36 C ATOM 1854 C GLU B 147 10.380 2.223 18.235 1.00 2.40 C ATOM 1855 O GLU B 147 10.600 1.187 17.607 1.00 2.48 O ATOM 1856 CB GLU B 147 8.811 3.309 16.624 1.00 2.40 C ATOM 1857 CG GLU B 147 9.866 4.224 16.029 1.00 2.97 C ATOM 1858 CD GLU B 147 9.578 4.587 14.585 1.00 3.47 C ATOM 1859 OE1 GLU B 147 8.562 5.270 14.336 1.00 4.01 O ATOM 1860 OE2 GLU B 147 10.368 4.187 13.704 1.00 3.71 O ATOM 0 H GLU B 147 9.317 5.005 18.431 1.00 2.27 H new ATOM 0 HA GLU B 147 8.248 2.305 18.415 1.00 2.36 H new ATOM 0 HB2 GLU B 147 8.768 2.390 16.039 1.00 2.40 H new ATOM 0 HB3 GLU B 147 7.836 3.788 16.536 1.00 2.40 H new ATOM 0 HG2 GLU B 147 9.928 5.136 16.623 1.00 2.97 H new ATOM 0 HG3 GLU B 147 10.839 3.737 16.090 1.00 2.97 H new ATOM 1867 N ASN B 148 11.256 2.756 19.086 1.00 2.59 N ATOM 1868 CA ASN B 148 12.527 2.113 19.330 1.00 3.03 C ATOM 1869 C ASN B 148 12.306 0.843 20.143 1.00 3.37 C ATOM 1870 O ASN B 148 13.068 -0.115 20.029 1.00 3.85 O ATOM 1871 CB ASN B 148 13.484 3.053 20.064 1.00 3.19 C ATOM 1872 CG ASN B 148 14.372 3.840 19.118 1.00 3.48 C ATOM 1873 OD1 ASN B 148 15.268 3.284 18.480 1.00 3.92 O ATOM 1874 ND2 ASN B 148 14.130 5.142 19.023 1.00 3.79 N ATOM 0 H ASN B 148 11.104 3.620 19.607 1.00 2.59 H new ATOM 0 HA ASN B 148 12.979 1.856 18.372 1.00 3.03 H new ATOM 0 HB2 ASN B 148 12.907 3.747 20.676 1.00 3.19 H new ATOM 0 HB3 ASN B 148 14.108 2.472 20.743 1.00 3.19 H new ATOM 0 HD21 ASN B 148 14.696 5.722 18.404 1.00 3.79 H new ATOM 0 HD22 ASN B 148 13.378 5.562 19.569 1.00 3.79 H new ATOM 1881 N TYR B 149 11.245 0.838 20.962 1.00 3.23 N ATOM 1882 CA TYR B 149 10.929 -0.336 21.790 1.00 3.61 C ATOM 1883 C TYR B 149 9.573 -0.923 21.407 1.00 3.72 C ATOM 1884 O TYR B 149 8.910 -1.568 22.221 1.00 4.14 O ATOM 1885 CB TYR B 149 10.960 0.027 23.284 1.00 3.69 C ATOM 1886 CG TYR B 149 9.704 0.698 23.801 1.00 4.04 C ATOM 1887 CD1 TYR B 149 9.377 1.987 23.411 1.00 4.59 C ATOM 1888 CD2 TYR B 149 8.852 0.041 24.681 1.00 4.26 C ATOM 1889 CE1 TYR B 149 8.236 2.605 23.883 1.00 5.11 C ATOM 1890 CE2 TYR B 149 7.708 0.656 25.159 1.00 4.76 C ATOM 1891 CZ TYR B 149 7.405 1.938 24.755 1.00 5.09 C ATOM 1892 OH TYR B 149 6.271 2.562 25.226 1.00 5.73 O ATOM 0 H TYR B 149 10.599 1.620 21.069 1.00 3.23 H new ATOM 0 HA TYR B 149 11.691 -1.094 21.606 1.00 3.61 H new ATOM 0 HB2 TYR B 149 11.133 -0.882 23.861 1.00 3.69 H new ATOM 0 HB3 TYR B 149 11.809 0.687 23.466 1.00 3.69 H new ATOM 0 HD1 TYR B 149 10.024 2.516 22.728 1.00 4.59 H new ATOM 0 HD2 TYR B 149 9.086 -0.965 24.997 1.00 4.26 H new ATOM 0 HE1 TYR B 149 7.996 3.610 23.569 1.00 5.11 H new ATOM 0 HE2 TYR B 149 7.057 0.134 25.845 1.00 4.76 H new ATOM 0 HH TYR B 149 5.792 1.957 25.830 1.00 5.73 H new ATOM 1902 N LEU B 150 9.168 -0.684 20.170 1.00 3.60 N ATOM 1903 CA LEU B 150 7.890 -1.166 19.677 1.00 3.76 C ATOM 1904 C LEU B 150 8.051 -1.946 18.368 1.00 3.71 C ATOM 1905 O LEU B 150 8.874 -1.590 17.527 1.00 3.86 O ATOM 1906 CB LEU B 150 6.968 0.025 19.475 1.00 4.10 C ATOM 1907 CG LEU B 150 5.495 -0.313 19.336 1.00 4.74 C ATOM 1908 CD1 LEU B 150 4.648 0.735 20.043 1.00 4.91 C ATOM 1909 CD2 LEU B 150 5.141 -0.421 17.864 1.00 5.46 C ATOM 0 H LEU B 150 9.710 -0.156 19.486 1.00 3.60 H new ATOM 0 HA LEU B 150 7.462 -1.851 20.409 1.00 3.76 H new ATOM 0 HB2 LEU B 150 7.090 0.705 20.318 1.00 4.10 H new ATOM 0 HB3 LEU B 150 7.286 0.563 18.582 1.00 4.10 H new ATOM 0 HG LEU B 150 5.288 -1.273 19.809 1.00 4.74 H new ATOM 0 HD11 LEU B 150 3.593 0.482 19.937 1.00 4.91 H new ATOM 0 HD12 LEU B 150 4.910 0.762 21.101 1.00 4.91 H new ATOM 0 HD13 LEU B 150 4.833 1.713 19.599 1.00 4.91 H new ATOM 0 HD21 LEU B 150 4.083 -0.664 17.761 1.00 5.46 H new ATOM 0 HD22 LEU B 150 5.345 0.529 17.370 1.00 5.46 H new ATOM 0 HD23 LEU B 150 5.740 -1.206 17.402 1.00 5.46 H new ATOM 1921 N PRO B 151 7.269 -3.030 18.179 1.00 3.97 N ATOM 1922 CA PRO B 151 7.339 -3.856 16.974 1.00 4.33 C ATOM 1923 C PRO B 151 6.490 -3.311 15.824 1.00 4.40 C ATOM 1924 O PRO B 151 5.697 -4.040 15.229 1.00 4.80 O ATOM 1925 CB PRO B 151 6.797 -5.197 17.454 1.00 4.97 C ATOM 1926 CG PRO B 151 5.807 -4.851 18.515 1.00 5.02 C ATOM 1927 CD PRO B 151 6.257 -3.543 19.127 1.00 4.41 C ATOM 0 HA PRO B 151 8.349 -3.899 16.566 1.00 4.33 H new ATOM 0 HB2 PRO B 151 6.327 -5.748 16.639 1.00 4.97 H new ATOM 0 HB3 PRO B 151 7.594 -5.828 17.847 1.00 4.97 H new ATOM 0 HG2 PRO B 151 4.806 -4.756 18.093 1.00 5.02 H new ATOM 0 HG3 PRO B 151 5.761 -5.635 19.271 1.00 5.02 H new ATOM 0 HD2 PRO B 151 5.425 -2.847 19.237 1.00 4.41 H new ATOM 0 HD3 PRO B 151 6.681 -3.693 20.120 1.00 4.41 H new ATOM 1935 N SER B 152 6.667 -2.025 15.518 1.00 4.26 N ATOM 1936 CA SER B 152 5.930 -1.362 14.437 1.00 4.43 C ATOM 1937 C SER B 152 4.486 -1.063 14.840 1.00 3.85 C ATOM 1938 O SER B 152 3.901 -1.761 15.669 1.00 3.52 O ATOM 1939 CB SER B 152 5.956 -2.201 13.153 1.00 4.91 C ATOM 1940 OG SER B 152 7.155 -1.986 12.426 1.00 5.73 O ATOM 0 H SER B 152 7.321 -1.415 16.008 1.00 4.26 H new ATOM 0 HA SER B 152 6.432 -0.414 14.244 1.00 4.43 H new ATOM 0 HB2 SER B 152 5.864 -3.258 13.404 1.00 4.91 H new ATOM 0 HB3 SER B 152 5.099 -1.945 12.530 1.00 4.91 H new ATOM 0 HG SER B 152 7.147 -2.533 11.613 1.00 5.73 H new ATOM 1946 N PRO B 153 3.897 0.002 14.257 1.00 4.04 N ATOM 1947 CA PRO B 153 2.519 0.422 14.555 1.00 3.79 C ATOM 1948 C PRO B 153 1.471 -0.583 14.097 1.00 2.92 C ATOM 1949 O PRO B 153 1.760 -1.492 13.319 1.00 3.04 O ATOM 1950 CB PRO B 153 2.368 1.729 13.776 1.00 4.60 C ATOM 1951 CG PRO B 153 3.368 1.627 12.681 1.00 5.10 C ATOM 1952 CD PRO B 153 4.535 0.893 13.273 1.00 4.86 C ATOM 0 HA PRO B 153 2.360 0.518 15.629 1.00 3.79 H new ATOM 0 HB2 PRO B 153 1.358 1.842 13.382 1.00 4.60 H new ATOM 0 HB3 PRO B 153 2.561 2.594 14.411 1.00 4.60 H new ATOM 0 HG2 PRO B 153 2.960 1.090 11.825 1.00 5.10 H new ATOM 0 HG3 PRO B 153 3.664 2.614 12.326 1.00 5.10 H new ATOM 0 HD2 PRO B 153 5.085 0.332 12.517 1.00 4.86 H new ATOM 0 HD3 PRO B 153 5.244 1.574 13.744 1.00 4.86 H new ATOM 1960 N CYS B 154 0.246 -0.405 14.595 1.00 2.52 N ATOM 1961 CA CYS B 154 -0.860 -1.291 14.254 1.00 1.97 C ATOM 1962 C CYS B 154 -1.171 -1.259 12.756 1.00 2.15 C ATOM 1963 O CYS B 154 -1.570 -0.232 12.202 1.00 2.65 O ATOM 1964 CB CYS B 154 -2.113 -0.946 15.085 1.00 2.30 C ATOM 1965 SG CYS B 154 -2.675 0.790 14.964 1.00 2.68 S ATOM 0 H CYS B 154 -0.002 0.348 15.237 1.00 2.52 H new ATOM 0 HA CYS B 154 -0.554 -2.308 14.500 1.00 1.97 H new ATOM 0 HB2 CYS B 154 -2.928 -1.598 14.771 1.00 2.30 H new ATOM 0 HB3 CYS B 154 -1.909 -1.173 16.131 1.00 2.30 H new ATOM 1970 N GLN B 155 -0.972 -2.412 12.121 1.00 2.16 N ATOM 1971 CA GLN B 155 -1.215 -2.593 10.673 1.00 2.64 C ATOM 1972 C GLN B 155 -0.683 -1.429 9.836 1.00 2.19 C ATOM 1973 O GLN B 155 0.022 -0.561 10.352 1.00 2.43 O ATOM 1974 CB GLN B 155 -2.705 -2.796 10.402 1.00 3.40 C ATOM 1975 CG GLN B 155 -3.556 -1.563 10.653 1.00 4.33 C ATOM 1976 CD GLN B 155 -5.022 -1.802 10.341 1.00 5.12 C ATOM 1977 OE1 GLN B 155 -5.880 -1.711 11.220 1.00 5.61 O ATOM 1978 NE2 GLN B 155 -5.316 -2.117 9.086 1.00 5.63 N ATOM 0 H GLN B 155 -0.637 -3.255 12.588 1.00 2.16 H new ATOM 0 HA GLN B 155 -0.665 -3.484 10.371 1.00 2.64 H new ATOM 0 HB2 GLN B 155 -2.835 -3.109 9.366 1.00 3.40 H new ATOM 0 HB3 GLN B 155 -3.070 -3.609 11.029 1.00 3.40 H new ATOM 0 HG2 GLN B 155 -3.453 -1.259 11.695 1.00 4.33 H new ATOM 0 HG3 GLN B 155 -3.187 -0.739 10.043 1.00 4.33 H new ATOM 0 HE21 GLN B 155 -4.574 -2.182 8.389 1.00 5.63 H new ATOM 0 HE22 GLN B 155 -6.284 -2.295 8.818 1.00 5.63 H new ATOM 1987 N SER B 156 -1.013 -1.413 8.533 1.00 2.21 N ATOM 1988 CA SER B 156 -0.552 -0.350 7.661 1.00 2.03 C ATOM 1989 C SER B 156 -1.457 -0.213 6.438 1.00 1.77 C ATOM 1990 O SER B 156 -2.506 -0.853 6.377 1.00 2.17 O ATOM 1991 CB SER B 156 0.912 -0.559 7.290 1.00 2.58 C ATOM 1992 OG SER B 156 1.744 0.313 8.046 1.00 3.11 O ATOM 0 H SER B 156 -1.590 -2.120 8.077 1.00 2.21 H new ATOM 0 HA SER B 156 -0.612 0.597 8.198 1.00 2.03 H new ATOM 0 HB2 SER B 156 1.196 -1.595 7.475 1.00 2.58 H new ATOM 0 HB3 SER B 156 1.054 -0.375 6.225 1.00 2.58 H new ATOM 0 HG SER B 156 1.460 0.305 8.984 1.00 3.11 H new ATOM 1998 N GLY B 157 -0.991 0.447 5.394 1.00 1.55 N ATOM 1999 CA GLY B 157 -1.771 0.522 4.177 1.00 1.82 C ATOM 2000 C GLY B 157 -1.113 -0.315 3.131 1.00 1.65 C ATOM 2001 O GLY B 157 0.114 -0.409 3.122 1.00 2.07 O ATOM 0 H GLY B 157 -0.093 0.930 5.364 1.00 1.55 H new ATOM 0 HA2 GLY B 157 -2.787 0.170 4.358 1.00 1.82 H new ATOM 0 HA3 GLY B 157 -1.847 1.556 3.840 1.00 1.82 H new ATOM 2005 N GLN B 158 -1.880 -0.948 2.251 1.00 1.33 N ATOM 2006 CA GLN B 158 -1.215 -1.770 1.256 1.00 1.42 C ATOM 2007 C GLN B 158 -1.175 -1.078 -0.097 1.00 1.04 C ATOM 2008 O GLN B 158 -1.690 -1.569 -1.098 1.00 0.95 O ATOM 2009 CB GLN B 158 -2.004 -3.081 1.094 1.00 1.93 C ATOM 2010 CG GLN B 158 -1.886 -4.047 2.267 1.00 2.76 C ATOM 2011 CD GLN B 158 -3.158 -4.848 2.489 1.00 3.57 C ATOM 2012 OE1 GLN B 158 -3.891 -4.618 3.454 1.00 3.89 O ATOM 2013 NE2 GLN B 158 -3.428 -5.794 1.596 1.00 4.34 N ATOM 0 H GLN B 158 -2.898 -0.913 2.205 1.00 1.33 H new ATOM 0 HA GLN B 158 -0.194 -1.953 1.591 1.00 1.42 H new ATOM 0 HB2 GLN B 158 -3.056 -2.839 0.945 1.00 1.93 H new ATOM 0 HB3 GLN B 158 -1.662 -3.585 0.190 1.00 1.93 H new ATOM 0 HG2 GLN B 158 -1.056 -4.731 2.089 1.00 2.76 H new ATOM 0 HG3 GLN B 158 -1.650 -3.488 3.172 1.00 2.76 H new ATOM 0 HE21 GLN B 158 -2.794 -5.951 0.812 1.00 4.34 H new ATOM 0 HE22 GLN B 158 -4.269 -6.363 1.694 1.00 4.34 H new ATOM 2022 N LYS B 159 -0.475 0.034 -0.112 1.00 1.15 N ATOM 2023 CA LYS B 159 -0.149 0.789 -1.306 1.00 1.13 C ATOM 2024 C LYS B 159 1.365 0.832 -1.509 1.00 0.95 C ATOM 2025 O LYS B 159 1.891 1.949 -1.525 1.00 0.91 O ATOM 2026 CB LYS B 159 -0.771 2.159 -1.268 1.00 1.54 C ATOM 2027 CG LYS B 159 -0.622 2.950 -2.558 1.00 1.91 C ATOM 2028 CD LYS B 159 -0.894 2.108 -3.795 1.00 2.18 C ATOM 2029 CE LYS B 159 -2.355 1.704 -3.889 1.00 2.81 C ATOM 2030 NZ LYS B 159 -2.773 1.466 -5.298 1.00 3.54 N ATOM 0 H LYS B 159 -0.102 0.455 0.739 1.00 1.15 H new ATOM 0 HA LYS B 159 -0.576 0.284 -2.172 1.00 1.13 H new ATOM 0 HB2 LYS B 159 -1.832 2.057 -1.038 1.00 1.54 H new ATOM 0 HB3 LYS B 159 -0.321 2.727 -0.453 1.00 1.54 H new ATOM 0 HG2 LYS B 159 -1.308 3.797 -2.542 1.00 1.91 H new ATOM 0 HG3 LYS B 159 0.387 3.358 -2.615 1.00 1.91 H new ATOM 0 HD2 LYS B 159 -0.614 2.669 -4.686 1.00 2.18 H new ATOM 0 HD3 LYS B 159 -0.270 1.215 -3.772 1.00 2.18 H new ATOM 0 HE2 LYS B 159 -2.521 0.800 -3.303 1.00 2.81 H new ATOM 0 HE3 LYS B 159 -2.977 2.485 -3.452 1.00 2.81 H new ATOM 0 HZ1 LYS B 159 -3.793 1.644 -5.392 1.00 3.54 H new ATOM 0 HZ2 LYS B 159 -2.250 2.107 -5.928 1.00 3.54 H new ATOM 0 HZ3 LYS B 159 -2.568 0.480 -5.559 1.00 3.54 H new ATOM 2044 N PRO B 160 2.119 -0.268 -1.513 1.00 1.05 N ATOM 2045 CA PRO B 160 3.581 -0.167 -1.565 1.00 1.14 C ATOM 2046 C PRO B 160 4.144 0.359 -2.878 1.00 1.10 C ATOM 2047 O PRO B 160 4.540 -0.387 -3.769 1.00 1.23 O ATOM 2048 CB PRO B 160 4.059 -1.582 -1.267 1.00 1.46 C ATOM 2049 CG PRO B 160 2.916 -2.447 -1.664 1.00 1.51 C ATOM 2050 CD PRO B 160 1.668 -1.655 -1.346 1.00 1.27 C ATOM 0 HA PRO B 160 3.937 0.573 -0.848 1.00 1.14 H new ATOM 0 HB2 PRO B 160 4.958 -1.826 -1.833 1.00 1.46 H new ATOM 0 HB3 PRO B 160 4.304 -1.705 -0.212 1.00 1.46 H new ATOM 0 HG2 PRO B 160 2.963 -2.694 -2.725 1.00 1.51 H new ATOM 0 HG3 PRO B 160 2.931 -3.390 -1.117 1.00 1.51 H new ATOM 0 HD2 PRO B 160 0.849 -1.899 -2.023 1.00 1.27 H new ATOM 0 HD3 PRO B 160 1.313 -1.847 -0.333 1.00 1.27 H new ATOM 2058 N CYS B 161 4.197 1.674 -2.928 1.00 1.09 N ATOM 2059 CA CYS B 161 4.725 2.451 -4.033 1.00 1.15 C ATOM 2060 C CYS B 161 6.175 2.840 -3.731 1.00 1.37 C ATOM 2061 O CYS B 161 6.710 2.449 -2.699 1.00 1.58 O ATOM 2062 CB CYS B 161 3.838 3.634 -4.412 1.00 1.32 C ATOM 2063 SG CYS B 161 4.234 5.180 -3.563 1.00 1.58 S ATOM 0 H CYS B 161 3.857 2.258 -2.164 1.00 1.09 H new ATOM 0 HA CYS B 161 4.723 1.830 -4.928 1.00 1.15 H new ATOM 0 HB2 CYS B 161 3.913 3.797 -5.487 1.00 1.32 H new ATOM 0 HB3 CYS B 161 2.801 3.375 -4.200 1.00 1.32 H new ATOM 2068 N GLY B 162 6.718 3.773 -4.499 1.00 1.57 N ATOM 2069 CA GLY B 162 8.029 4.299 -4.144 1.00 1.88 C ATOM 2070 C GLY B 162 9.063 3.213 -3.873 1.00 2.05 C ATOM 2071 O GLY B 162 8.890 2.049 -4.246 1.00 2.37 O ATOM 0 H GLY B 162 6.294 4.169 -5.338 1.00 1.57 H new ATOM 0 HA2 GLY B 162 8.387 4.938 -4.951 1.00 1.88 H new ATOM 0 HA3 GLY B 162 7.933 4.928 -3.259 1.00 1.88 H new ATOM 2075 N SER B 163 10.158 3.618 -3.249 1.00 2.40 N ATOM 2076 CA SER B 163 11.268 2.723 -2.930 1.00 2.93 C ATOM 2077 C SER B 163 10.968 1.854 -1.700 1.00 2.71 C ATOM 2078 O SER B 163 11.769 1.764 -0.773 1.00 3.29 O ATOM 2079 CB SER B 163 12.532 3.558 -2.677 1.00 3.81 C ATOM 2080 OG SER B 163 13.523 3.312 -3.658 1.00 4.07 O ATOM 0 H SER B 163 10.306 4.581 -2.947 1.00 2.40 H new ATOM 0 HA SER B 163 11.418 2.054 -3.777 1.00 2.93 H new ATOM 0 HB2 SER B 163 12.275 4.617 -2.676 1.00 3.81 H new ATOM 0 HB3 SER B 163 12.931 3.326 -1.690 1.00 3.81 H new ATOM 0 HG SER B 163 14.313 3.860 -3.469 1.00 4.07 H new ATOM 2086 N GLY B 164 9.805 1.187 -1.727 1.00 2.12 N ATOM 2087 CA GLY B 164 9.405 0.293 -0.642 1.00 2.11 C ATOM 2088 C GLY B 164 8.320 0.849 0.288 1.00 1.92 C ATOM 2089 O GLY B 164 8.059 0.266 1.339 1.00 2.20 O ATOM 0 H GLY B 164 9.130 1.253 -2.488 1.00 2.12 H new ATOM 0 HA2 GLY B 164 9.048 -0.642 -1.074 1.00 2.11 H new ATOM 0 HA3 GLY B 164 10.285 0.053 -0.046 1.00 2.11 H new ATOM 2093 N GLY B 165 7.748 1.990 -0.057 1.00 1.61 N ATOM 2094 CA GLY B 165 6.763 2.585 0.835 1.00 1.60 C ATOM 2095 C GLY B 165 5.315 2.379 0.451 1.00 1.42 C ATOM 2096 O GLY B 165 4.932 2.512 -0.704 1.00 1.62 O ATOM 0 H GLY B 165 7.937 2.508 -0.915 1.00 1.61 H new ATOM 0 HA2 GLY B 165 6.915 2.179 1.835 1.00 1.60 H new ATOM 0 HA3 GLY B 165 6.954 3.656 0.893 1.00 1.60 H new ATOM 2100 N ARG B 166 4.512 2.051 1.471 1.00 1.16 N ATOM 2101 CA ARG B 166 3.080 1.831 1.320 1.00 1.03 C ATOM 2102 C ARG B 166 2.294 3.047 1.812 1.00 0.95 C ATOM 2103 O ARG B 166 2.785 3.807 2.646 1.00 1.04 O ATOM 2104 CB ARG B 166 2.613 0.555 2.027 1.00 1.08 C ATOM 2105 CG ARG B 166 3.165 0.378 3.433 1.00 1.23 C ATOM 2106 CD ARG B 166 4.491 -0.369 3.438 1.00 1.39 C ATOM 2107 NE ARG B 166 4.403 -1.669 2.772 1.00 1.79 N ATOM 2108 CZ ARG B 166 5.100 -2.743 3.140 1.00 2.31 C ATOM 2109 NH1 ARG B 166 5.929 -2.687 4.176 1.00 2.54 N ATOM 2110 NH2 ARG B 166 4.967 -3.878 2.469 1.00 3.05 N ATOM 0 H ARG B 166 4.846 1.932 2.427 1.00 1.16 H new ATOM 0 HA ARG B 166 2.883 1.695 0.257 1.00 1.03 H new ATOM 0 HB2 ARG B 166 1.524 0.559 2.075 1.00 1.08 H new ATOM 0 HB3 ARG B 166 2.903 -0.306 1.425 1.00 1.08 H new ATOM 0 HG2 ARG B 166 3.299 1.356 3.895 1.00 1.23 H new ATOM 0 HG3 ARG B 166 2.441 -0.165 4.040 1.00 1.23 H new ATOM 0 HD2 ARG B 166 5.249 0.239 2.943 1.00 1.39 H new ATOM 0 HD3 ARG B 166 4.820 -0.513 4.467 1.00 1.39 H new ATOM 0 HE ARG B 166 3.769 -1.758 1.978 1.00 1.79 H new ATOM 0 HH11 ARG B 166 6.036 -1.817 4.697 1.00 2.54 H new ATOM 0 HH12 ARG B 166 6.459 -3.514 4.451 1.00 2.54 H new ATOM 0 HH21 ARG B 166 4.332 -3.928 1.672 1.00 3.05 H new ATOM 0 HH22 ARG B 166 5.500 -4.701 2.749 1.00 3.05 H new ATOM 2124 N CYS B 167 1.079 3.248 1.286 1.00 0.87 N ATOM 2125 CA CYS B 167 0.278 4.384 1.679 1.00 0.88 C ATOM 2126 C CYS B 167 0.081 4.375 3.175 1.00 0.88 C ATOM 2127 O CYS B 167 -0.659 3.556 3.712 1.00 0.93 O ATOM 2128 CB CYS B 167 -1.084 4.369 0.961 1.00 0.94 C ATOM 2129 SG CYS B 167 -1.934 5.979 0.863 1.00 1.56 S ATOM 0 H CYS B 167 0.644 2.638 0.594 1.00 0.87 H new ATOM 0 HA CYS B 167 0.802 5.296 1.391 1.00 0.88 H new ATOM 0 HB2 CYS B 167 -0.938 3.992 -0.051 1.00 0.94 H new ATOM 0 HB3 CYS B 167 -1.738 3.663 1.473 1.00 0.94 H new ATOM 2134 N ALA B 168 0.722 5.309 3.846 1.00 0.90 N ATOM 2135 CA ALA B 168 0.582 5.405 5.290 1.00 0.95 C ATOM 2136 C ALA B 168 -0.545 6.369 5.584 1.00 0.96 C ATOM 2137 O ALA B 168 -1.106 6.415 6.679 1.00 1.04 O ATOM 2138 CB ALA B 168 1.890 5.826 5.943 1.00 0.96 C ATOM 0 H ALA B 168 1.338 6.005 3.425 1.00 0.90 H new ATOM 0 HA ALA B 168 0.340 4.431 5.714 1.00 0.95 H new ATOM 0 HB1 ALA B 168 1.754 5.889 7.023 1.00 0.96 H new ATOM 0 HB2 ALA B 168 2.663 5.091 5.717 1.00 0.96 H new ATOM 0 HB3 ALA B 168 2.192 6.800 5.558 1.00 0.96 H new ATOM 2144 N ALA B 169 -0.856 7.130 4.553 1.00 0.90 N ATOM 2145 CA ALA B 169 -1.910 8.137 4.581 1.00 0.94 C ATOM 2146 C ALA B 169 -2.229 8.568 3.150 1.00 0.91 C ATOM 2147 O ALA B 169 -1.381 8.433 2.276 1.00 0.87 O ATOM 2148 CB ALA B 169 -1.465 9.328 5.398 1.00 0.98 C ATOM 0 H ALA B 169 -0.377 7.068 3.654 1.00 0.90 H new ATOM 0 HA ALA B 169 -2.805 7.717 5.040 1.00 0.94 H new ATOM 0 HB1 ALA B 169 -2.258 10.075 5.414 1.00 0.98 H new ATOM 0 HB2 ALA B 169 -1.247 9.009 6.417 1.00 0.98 H new ATOM 0 HB3 ALA B 169 -0.568 9.760 4.953 1.00 0.98 H new ATOM 2154 N ALA B 170 -3.447 9.078 2.925 1.00 0.98 N ATOM 2155 CA ALA B 170 -3.910 9.533 1.594 1.00 1.00 C ATOM 2156 C ALA B 170 -2.773 9.817 0.584 1.00 1.04 C ATOM 2157 O ALA B 170 -1.860 9.013 0.423 1.00 1.25 O ATOM 2158 CB ALA B 170 -4.819 10.755 1.760 1.00 1.15 C ATOM 0 H ALA B 170 -4.146 9.190 3.659 1.00 0.98 H new ATOM 0 HA ALA B 170 -4.468 8.704 1.158 1.00 1.00 H new ATOM 0 HB1 ALA B 170 -5.160 11.090 0.781 1.00 1.15 H new ATOM 0 HB2 ALA B 170 -5.680 10.487 2.372 1.00 1.15 H new ATOM 0 HB3 ALA B 170 -4.264 11.558 2.246 1.00 1.15 H new ATOM 2164 N GLY B 171 -2.890 10.944 -0.113 1.00 1.15 N ATOM 2165 CA GLY B 171 -1.946 11.381 -1.144 1.00 1.28 C ATOM 2166 C GLY B 171 -0.455 11.293 -0.785 1.00 1.22 C ATOM 2167 O GLY B 171 0.354 12.016 -1.349 1.00 1.29 O ATOM 0 H GLY B 171 -3.662 11.596 0.025 1.00 1.15 H new ATOM 0 HA2 GLY B 171 -2.118 10.784 -2.040 1.00 1.28 H new ATOM 0 HA3 GLY B 171 -2.175 12.415 -1.401 1.00 1.28 H new ATOM 2171 N ILE B 172 -0.122 10.493 0.203 1.00 1.13 N ATOM 2172 CA ILE B 172 1.259 10.353 0.643 1.00 1.09 C ATOM 2173 C ILE B 172 1.603 8.882 0.937 1.00 1.02 C ATOM 2174 O ILE B 172 1.272 8.293 1.990 1.00 1.34 O ATOM 2175 CB ILE B 172 1.568 11.273 1.812 1.00 1.53 C ATOM 2176 CG1 ILE B 172 0.578 11.059 2.926 1.00 1.09 C ATOM 2177 CG2 ILE B 172 1.575 12.719 1.352 1.00 2.27 C ATOM 2178 CD1 ILE B 172 1.222 10.293 4.017 1.00 0.91 C ATOM 0 H ILE B 172 -0.789 9.924 0.724 1.00 1.13 H new ATOM 0 HA ILE B 172 1.907 10.669 -0.175 1.00 1.09 H new ATOM 0 HB ILE B 172 2.560 11.035 2.197 1.00 1.53 H new ATOM 0 HG12 ILE B 172 0.223 12.019 3.301 1.00 1.09 H new ATOM 0 HG13 ILE B 172 -0.294 10.520 2.554 1.00 1.09 H new ATOM 0 HG21 ILE B 172 1.798 13.369 2.198 1.00 2.27 H new ATOM 0 HG22 ILE B 172 2.335 12.852 0.582 1.00 2.27 H new ATOM 0 HG23 ILE B 172 0.597 12.976 0.944 1.00 2.27 H new ATOM 0 HD11 ILE B 172 0.506 10.137 4.824 1.00 0.91 H new ATOM 0 HD12 ILE B 172 1.555 9.327 3.636 1.00 0.91 H new ATOM 0 HD13 ILE B 172 2.080 10.849 4.395 1.00 0.91 H new ATOM 2190 N CYS B 173 2.261 8.287 -0.045 1.00 0.81 N ATOM 2191 CA CYS B 173 2.666 6.897 0.014 1.00 1.04 C ATOM 2192 C CYS B 173 4.078 6.816 0.566 1.00 1.06 C ATOM 2193 O CYS B 173 5.058 7.022 -0.150 1.00 1.19 O ATOM 2194 CB CYS B 173 2.561 6.303 -1.386 1.00 1.17 C ATOM 2195 SG CYS B 173 3.574 4.833 -1.687 1.00 1.94 S ATOM 0 H CYS B 173 2.529 8.759 -0.908 1.00 0.81 H new ATOM 0 HA CYS B 173 2.019 6.323 0.677 1.00 1.04 H new ATOM 0 HB2 CYS B 173 1.518 6.050 -1.577 1.00 1.17 H new ATOM 0 HB3 CYS B 173 2.840 7.070 -2.109 1.00 1.17 H new ATOM 2200 N CYS B 174 4.161 6.591 1.864 1.00 0.97 N ATOM 2201 CA CYS B 174 5.437 6.567 2.551 1.00 0.99 C ATOM 2202 C CYS B 174 6.065 5.188 2.667 1.00 1.16 C ATOM 2203 O CYS B 174 5.406 4.162 2.528 1.00 1.35 O ATOM 2204 CB CYS B 174 5.269 7.180 3.933 1.00 1.12 C ATOM 2205 SG CYS B 174 4.350 8.748 3.913 1.00 1.26 S ATOM 0 H CYS B 174 3.355 6.422 2.466 1.00 0.97 H new ATOM 0 HA CYS B 174 6.127 7.150 1.941 1.00 0.99 H new ATOM 0 HB2 CYS B 174 4.750 6.470 4.578 1.00 1.12 H new ATOM 0 HB3 CYS B 174 6.253 7.348 4.371 1.00 1.12 H new ATOM 2210 N SER B 175 7.364 5.220 2.956 1.00 1.15 N ATOM 2211 CA SER B 175 8.189 4.032 3.144 1.00 1.38 C ATOM 2212 C SER B 175 8.868 4.138 4.513 1.00 1.29 C ATOM 2213 O SER B 175 8.666 5.128 5.215 1.00 1.12 O ATOM 2214 CB SER B 175 9.239 3.955 2.023 1.00 1.48 C ATOM 2215 OG SER B 175 10.006 5.143 1.965 1.00 2.00 O ATOM 0 H SER B 175 7.882 6.092 3.068 1.00 1.15 H new ATOM 0 HA SER B 175 7.581 3.128 3.105 1.00 1.38 H new ATOM 0 HB2 SER B 175 9.896 3.102 2.193 1.00 1.48 H new ATOM 0 HB3 SER B 175 8.743 3.791 1.066 1.00 1.48 H new ATOM 0 HG SER B 175 10.668 5.070 1.246 1.00 2.00 H new ATOM 2221 N PRO B 176 9.682 3.151 4.934 1.00 1.49 N ATOM 2222 CA PRO B 176 10.352 3.220 6.237 1.00 1.45 C ATOM 2223 C PRO B 176 11.556 4.162 6.210 1.00 1.20 C ATOM 2224 O PRO B 176 12.529 3.968 6.939 1.00 1.25 O ATOM 2225 CB PRO B 176 10.802 1.776 6.468 1.00 1.77 C ATOM 2226 CG PRO B 176 11.020 1.231 5.098 1.00 1.90 C ATOM 2227 CD PRO B 176 10.008 1.906 4.208 1.00 1.81 C ATOM 0 HA PRO B 176 9.703 3.609 7.021 1.00 1.45 H new ATOM 0 HB2 PRO B 176 11.715 1.735 7.062 1.00 1.77 H new ATOM 0 HB3 PRO B 176 10.045 1.206 7.007 1.00 1.77 H new ATOM 0 HG2 PRO B 176 12.035 1.434 4.756 1.00 1.90 H new ATOM 0 HG3 PRO B 176 10.889 0.149 5.085 1.00 1.90 H new ATOM 0 HD2 PRO B 176 10.419 2.114 3.220 1.00 1.81 H new ATOM 0 HD3 PRO B 176 9.125 1.284 4.062 1.00 1.81 H new ATOM 2235 N ASP B 177 11.471 5.185 5.354 1.00 1.01 N ATOM 2236 CA ASP B 177 12.532 6.179 5.203 1.00 0.92 C ATOM 2237 C ASP B 177 11.947 7.561 4.893 1.00 0.83 C ATOM 2238 O ASP B 177 12.406 8.574 5.420 1.00 0.90 O ATOM 2239 CB ASP B 177 13.475 5.767 4.079 1.00 1.18 C ATOM 2240 CG ASP B 177 14.889 6.259 4.305 1.00 1.96 C ATOM 2241 OD1 ASP B 177 15.589 5.678 5.159 1.00 2.72 O ATOM 2242 OD2 ASP B 177 15.298 7.227 3.628 1.00 2.51 O ATOM 0 H ASP B 177 10.666 5.345 4.749 1.00 1.01 H new ATOM 0 HA ASP B 177 13.081 6.234 6.143 1.00 0.92 H new ATOM 0 HB2 ASP B 177 13.480 4.680 3.992 1.00 1.18 H new ATOM 0 HB3 ASP B 177 13.103 6.160 3.133 1.00 1.18 H new ATOM 2247 N GLY B 178 10.935 7.593 4.022 1.00 0.89 N ATOM 2248 CA GLY B 178 10.309 8.860 3.657 1.00 0.87 C ATOM 2249 C GLY B 178 8.848 8.730 3.271 1.00 0.85 C ATOM 2250 O GLY B 178 8.102 7.955 3.864 1.00 0.99 O ATOM 0 H GLY B 178 10.540 6.771 3.565 1.00 0.89 H new ATOM 0 HA2 GLY B 178 10.394 9.552 4.495 1.00 0.87 H new ATOM 0 HA3 GLY B 178 10.858 9.300 2.824 1.00 0.87 H new ATOM 2254 N CYS B 179 8.457 9.504 2.260 1.00 0.78 N ATOM 2255 CA CYS B 179 7.086 9.523 1.751 1.00 0.79 C ATOM 2256 C CYS B 179 7.075 9.818 0.259 1.00 0.77 C ATOM 2257 O CYS B 179 7.882 10.611 -0.242 1.00 0.88 O ATOM 2258 CB CYS B 179 6.258 10.586 2.475 1.00 0.92 C ATOM 2259 SG CYS B 179 5.792 10.147 4.177 1.00 1.34 S ATOM 0 H CYS B 179 9.086 10.139 1.768 1.00 0.78 H new ATOM 0 HA CYS B 179 6.650 8.540 1.930 1.00 0.79 H new ATOM 0 HB2 CYS B 179 6.823 11.518 2.495 1.00 0.92 H new ATOM 0 HB3 CYS B 179 5.351 10.776 1.901 1.00 0.92 H new ATOM 2264 N HIS B 180 6.130 9.229 -0.457 1.00 0.70 N ATOM 2265 CA HIS B 180 6.057 9.464 -1.889 1.00 0.75 C ATOM 2266 C HIS B 180 4.642 9.776 -2.329 1.00 0.69 C ATOM 2267 O HIS B 180 3.698 9.085 -1.949 1.00 0.66 O ATOM 2268 CB HIS B 180 6.565 8.227 -2.640 1.00 0.89 C ATOM 2269 CG HIS B 180 8.056 8.179 -2.814 1.00 0.94 C ATOM 2270 ND1 HIS B 180 8.869 7.301 -2.125 1.00 1.60 N ATOM 2271 CD2 HIS B 180 8.878 8.892 -3.620 1.00 1.70 C ATOM 2272 CE1 HIS B 180 10.124 7.477 -2.502 1.00 2.03 C ATOM 2273 NE2 HIS B 180 10.156 8.437 -3.407 1.00 2.10 N ATOM 0 H HIS B 180 5.420 8.600 -0.082 1.00 0.70 H new ATOM 0 HA HIS B 180 6.682 10.326 -2.121 1.00 0.75 H new ATOM 0 HB2 HIS B 180 6.245 7.334 -2.104 1.00 0.89 H new ATOM 0 HB3 HIS B 180 6.095 8.195 -3.623 1.00 0.89 H new ATOM 0 HD2 HIS B 180 8.583 9.674 -4.304 1.00 1.70 H new ATOM 0 HE1 HIS B 180 10.978 6.928 -2.132 1.00 2.03 H new ATOM 0 HE2 HIS B 180 10.994 8.785 -3.873 1.00 2.10 H new ATOM 2282 N GLU B 181 4.500 10.807 -3.154 1.00 0.75 N ATOM 2283 CA GLU B 181 3.193 11.176 -3.665 1.00 0.77 C ATOM 2284 C GLU B 181 2.622 10.001 -4.434 1.00 0.73 C ATOM 2285 O GLU B 181 3.333 9.348 -5.197 1.00 0.94 O ATOM 2286 CB GLU B 181 3.289 12.400 -4.577 1.00 0.93 C ATOM 2287 CG GLU B 181 3.153 13.725 -3.845 1.00 1.69 C ATOM 2288 CD GLU B 181 2.697 14.844 -4.758 1.00 2.34 C ATOM 2289 OE1 GLU B 181 3.449 15.190 -5.693 1.00 3.06 O ATOM 2290 OE2 GLU B 181 1.585 15.371 -4.543 1.00 2.69 O ATOM 0 H GLU B 181 5.268 11.395 -3.479 1.00 0.75 H new ATOM 0 HA GLU B 181 2.541 11.431 -2.830 1.00 0.77 H new ATOM 0 HB2 GLU B 181 4.247 12.380 -5.096 1.00 0.93 H new ATOM 0 HB3 GLU B 181 2.512 12.335 -5.339 1.00 0.93 H new ATOM 0 HG2 GLU B 181 2.441 13.614 -3.027 1.00 1.69 H new ATOM 0 HG3 GLU B 181 4.111 13.991 -3.399 1.00 1.69 H new ATOM 2297 N ASP B 182 1.353 9.715 -4.213 1.00 0.77 N ATOM 2298 CA ASP B 182 0.714 8.591 -4.875 1.00 0.79 C ATOM 2299 C ASP B 182 -0.741 8.921 -5.243 1.00 0.97 C ATOM 2300 O ASP B 182 -1.509 9.391 -4.403 1.00 1.22 O ATOM 2301 CB ASP B 182 0.802 7.367 -3.952 1.00 0.90 C ATOM 2302 CG ASP B 182 -0.316 7.327 -2.926 1.00 1.39 C ATOM 2303 OD1 ASP B 182 -0.144 7.915 -1.838 1.00 1.88 O ATOM 2304 OD2 ASP B 182 -1.363 6.707 -3.211 1.00 2.06 O ATOM 0 H ASP B 182 0.746 10.241 -3.584 1.00 0.77 H new ATOM 0 HA ASP B 182 1.229 8.372 -5.811 1.00 0.79 H new ATOM 0 HB2 ASP B 182 0.770 6.459 -4.555 1.00 0.90 H new ATOM 0 HB3 ASP B 182 1.763 7.373 -3.437 1.00 0.90 H new ATOM 2309 N PRO B 183 -1.133 8.695 -6.517 1.00 1.15 N ATOM 2310 CA PRO B 183 -2.492 8.985 -7.006 1.00 1.41 C ATOM 2311 C PRO B 183 -3.548 8.055 -6.420 1.00 1.28 C ATOM 2312 O PRO B 183 -4.704 8.442 -6.247 1.00 1.41 O ATOM 2313 CB PRO B 183 -2.396 8.766 -8.524 1.00 1.79 C ATOM 2314 CG PRO B 183 -0.939 8.683 -8.829 1.00 1.91 C ATOM 2315 CD PRO B 183 -0.282 8.159 -7.588 1.00 1.41 C ATOM 0 HA PRO B 183 -2.801 9.990 -6.719 1.00 1.41 H new ATOM 0 HB2 PRO B 183 -2.911 7.852 -8.821 1.00 1.79 H new ATOM 0 HB3 PRO B 183 -2.864 9.586 -9.068 1.00 1.79 H new ATOM 0 HG2 PRO B 183 -0.755 8.022 -9.676 1.00 1.91 H new ATOM 0 HG3 PRO B 183 -0.541 9.662 -9.097 1.00 1.91 H new ATOM 0 HD2 PRO B 183 -0.254 7.069 -7.575 1.00 1.41 H new ATOM 0 HD3 PRO B 183 0.747 8.506 -7.498 1.00 1.41 H new ATOM 2323 N ALA B 184 -3.147 6.824 -6.133 1.00 1.13 N ATOM 2324 CA ALA B 184 -4.056 5.834 -5.574 1.00 1.18 C ATOM 2325 C ALA B 184 -4.554 6.235 -4.180 1.00 1.22 C ATOM 2326 O ALA B 184 -5.373 5.534 -3.588 1.00 1.56 O ATOM 2327 CB ALA B 184 -3.389 4.466 -5.544 1.00 1.21 C ATOM 0 H ALA B 184 -2.195 6.487 -6.279 1.00 1.13 H new ATOM 0 HA ALA B 184 -4.932 5.783 -6.221 1.00 1.18 H new ATOM 0 HB1 ALA B 184 -4.079 3.734 -5.124 1.00 1.21 H new ATOM 0 HB2 ALA B 184 -3.119 4.170 -6.558 1.00 1.21 H new ATOM 0 HB3 ALA B 184 -2.490 4.513 -4.929 1.00 1.21 H new ATOM 2333 N CYS B 185 -4.054 7.359 -3.655 1.00 1.05 N ATOM 2334 CA CYS B 185 -4.461 7.828 -2.330 1.00 1.23 C ATOM 2335 C CYS B 185 -4.800 9.321 -2.323 1.00 1.50 C ATOM 2336 O CYS B 185 -4.801 9.944 -1.265 1.00 1.94 O ATOM 2337 CB CYS B 185 -3.357 7.574 -1.298 1.00 1.19 C ATOM 2338 SG CYS B 185 -3.085 5.834 -0.818 1.00 1.46 S ATOM 0 H CYS B 185 -3.372 7.955 -4.124 1.00 1.05 H new ATOM 0 HA CYS B 185 -5.357 7.265 -2.068 1.00 1.23 H new ATOM 0 HB2 CYS B 185 -2.422 7.970 -1.693 1.00 1.19 H new ATOM 0 HB3 CYS B 185 -3.591 8.145 -0.399 1.00 1.19 H new ATOM 2343 N ASP B 186 -5.095 9.900 -3.490 1.00 1.54 N ATOM 2344 CA ASP B 186 -5.431 11.306 -3.565 1.00 1.92 C ATOM 2345 C ASP B 186 -6.909 11.574 -3.839 1.00 1.82 C ATOM 2346 O ASP B 186 -7.251 12.688 -4.235 1.00 2.28 O ATOM 2347 CB ASP B 186 -4.589 11.998 -4.632 1.00 2.44 C ATOM 2348 CG ASP B 186 -3.190 12.310 -4.148 1.00 3.09 C ATOM 2349 OD1 ASP B 186 -3.059 13.072 -3.170 1.00 3.61 O ATOM 2350 OD2 ASP B 186 -2.227 11.794 -4.751 1.00 3.49 O ATOM 0 H ASP B 186 -5.105 9.412 -4.386 1.00 1.54 H new ATOM 0 HA ASP B 186 -5.212 11.714 -2.578 1.00 1.92 H new ATOM 0 HB2 ASP B 186 -4.532 11.362 -5.515 1.00 2.44 H new ATOM 0 HB3 ASP B 186 -5.080 12.922 -4.936 1.00 2.44 H new ATOM 2355 N PRO B 187 -7.836 10.626 -3.583 1.00 1.73 N ATOM 2356 CA PRO B 187 -9.242 10.902 -3.767 1.00 2.05 C ATOM 2357 C PRO B 187 -9.670 11.702 -2.592 1.00 2.17 C ATOM 2358 O PRO B 187 -10.469 11.264 -1.757 1.00 2.31 O ATOM 2359 CB PRO B 187 -9.916 9.528 -3.766 1.00 2.47 C ATOM 2360 CG PRO B 187 -8.832 8.526 -3.531 1.00 2.58 C ATOM 2361 CD PRO B 187 -7.634 9.282 -3.030 1.00 1.99 C ATOM 0 HA PRO B 187 -9.485 11.447 -4.679 1.00 2.05 H new ATOM 0 HB2 PRO B 187 -10.675 9.469 -2.986 1.00 2.47 H new ATOM 0 HB3 PRO B 187 -10.418 9.341 -4.715 1.00 2.47 H new ATOM 0 HG2 PRO B 187 -9.149 7.779 -2.803 1.00 2.58 H new ATOM 0 HG3 PRO B 187 -8.594 7.993 -4.451 1.00 2.58 H new ATOM 0 HD2 PRO B 187 -7.592 9.296 -1.941 1.00 1.99 H new ATOM 0 HD3 PRO B 187 -6.702 8.838 -3.379 1.00 1.99 H new ATOM 2369 N GLU B 188 -9.123 12.894 -2.526 1.00 2.54 N ATOM 2370 CA GLU B 188 -9.462 13.779 -1.386 1.00 3.18 C ATOM 2371 C GLU B 188 -8.659 15.011 -1.504 1.00 3.47 C ATOM 2372 O GLU B 188 -9.083 16.135 -1.231 1.00 4.08 O ATOM 2373 CB GLU B 188 -9.199 13.086 -0.060 1.00 3.61 C ATOM 2374 CG GLU B 188 -7.733 13.017 0.325 1.00 3.52 C ATOM 2375 CD GLU B 188 -7.537 12.801 1.812 1.00 4.20 C ATOM 2376 OE1 GLU B 188 -7.544 13.801 2.560 1.00 4.57 O ATOM 2377 OE2 GLU B 188 -7.383 11.634 2.230 1.00 4.70 O ATOM 0 H GLU B 188 -8.467 13.280 -3.205 1.00 2.54 H new ATOM 0 HA GLU B 188 -10.524 14.024 -1.413 1.00 3.18 H new ATOM 0 HB2 GLU B 188 -9.745 13.609 0.725 1.00 3.61 H new ATOM 0 HB3 GLU B 188 -9.599 12.073 -0.106 1.00 3.61 H new ATOM 0 HG2 GLU B 188 -7.254 12.206 -0.224 1.00 3.52 H new ATOM 0 HG3 GLU B 188 -7.238 13.941 0.026 1.00 3.52 H new ATOM 2384 N ALA B 189 -7.434 14.734 -2.040 1.00 3.25 N ATOM 2385 CA ALA B 189 -6.377 15.694 -2.391 1.00 3.84 C ATOM 2386 C ALA B 189 -6.718 16.410 -3.719 1.00 4.73 C ATOM 2387 O ALA B 189 -5.862 16.673 -4.567 1.00 5.24 O ATOM 2388 CB ALA B 189 -5.067 14.905 -2.532 1.00 3.45 C ATOM 0 H ALA B 189 -7.155 13.775 -2.245 1.00 3.25 H new ATOM 0 HA ALA B 189 -6.283 16.458 -1.619 1.00 3.84 H new ATOM 0 HB1 ALA B 189 -4.258 15.587 -2.793 1.00 3.45 H new ATOM 0 HB2 ALA B 189 -4.836 14.412 -1.588 1.00 3.45 H new ATOM 0 HB3 ALA B 189 -5.176 14.155 -3.316 1.00 3.45 H new ATOM 2394 N ALA B 190 -8.001 16.606 -3.879 1.00 5.07 N ATOM 2395 CA ALA B 190 -8.635 17.196 -5.086 1.00 6.09 C ATOM 2396 C ALA B 190 -8.452 18.693 -5.127 1.00 6.88 C ATOM 2397 O ALA B 190 -8.349 19.333 -4.079 1.00 6.93 O ATOM 2398 CB ALA B 190 -10.110 16.835 -5.165 1.00 6.41 C ATOM 0 H ALA B 190 -8.680 16.358 -3.160 1.00 5.07 H new ATOM 0 HA ALA B 190 -8.134 16.772 -5.956 1.00 6.09 H new ATOM 0 HB1 ALA B 190 -10.546 17.281 -6.059 1.00 6.41 H new ATOM 0 HB2 ALA B 190 -10.217 15.751 -5.211 1.00 6.41 H new ATOM 0 HB3 ALA B 190 -10.625 17.214 -4.282 1.00 6.41 H new ATOM 2404 N PHE B 191 -8.294 19.262 -6.326 1.00 7.61 N ATOM 2405 CA PHE B 191 -7.984 20.693 -6.448 1.00 8.50 C ATOM 2406 C PHE B 191 -9.091 21.575 -5.888 1.00 9.34 C ATOM 2407 O PHE B 191 -10.262 21.436 -6.239 1.00 9.88 O ATOM 2408 CB PHE B 191 -7.735 21.078 -7.914 1.00 8.96 C ATOM 2409 CG PHE B 191 -6.605 20.338 -8.578 1.00 9.23 C ATOM 2410 CD1 PHE B 191 -5.289 20.539 -8.185 1.00 9.37 C ATOM 2411 CD2 PHE B 191 -6.862 19.447 -9.609 1.00 9.60 C ATOM 2412 CE1 PHE B 191 -4.255 19.865 -8.809 1.00 9.84 C ATOM 2413 CE2 PHE B 191 -5.832 18.770 -10.233 1.00 10.04 C ATOM 2414 CZ PHE B 191 -4.527 18.979 -9.833 1.00 10.14 C ATOM 0 H PHE B 191 -8.374 18.765 -7.213 1.00 7.61 H new ATOM 0 HA PHE B 191 -7.080 20.860 -5.862 1.00 8.50 H new ATOM 0 HB2 PHE B 191 -8.649 20.902 -8.481 1.00 8.96 H new ATOM 0 HB3 PHE B 191 -7.530 22.147 -7.964 1.00 8.96 H new ATOM 0 HD1 PHE B 191 -5.070 21.229 -7.383 1.00 9.37 H new ATOM 0 HD2 PHE B 191 -7.880 19.280 -9.928 1.00 9.60 H new ATOM 0 HE1 PHE B 191 -3.235 20.031 -8.496 1.00 9.84 H new ATOM 0 HE2 PHE B 191 -6.047 18.078 -11.033 1.00 10.04 H new ATOM 0 HZ PHE B 191 -3.721 18.451 -10.320 1.00 10.14 H new ATOM 2424 N SER B 192 -8.689 22.493 -5.007 1.00 9.55 N ATOM 2425 CA SER B 192 -9.614 23.424 -4.374 1.00 10.42 C ATOM 2426 C SER B 192 -8.882 24.687 -3.927 1.00 11.18 C ATOM 2427 O SER B 192 -9.479 25.781 -4.021 1.00 11.41 O ATOM 2428 CB SER B 192 -10.292 22.764 -3.172 1.00 10.44 C ATOM 2429 OG SER B 192 -11.464 23.468 -2.800 1.00 10.49 O ATOM 2430 OXT SER B 192 -7.719 24.571 -3.484 1.00 11.70 O ATOM 0 H SER B 192 -7.718 22.609 -4.716 1.00 9.55 H new ATOM 0 HA SER B 192 -10.375 23.700 -5.104 1.00 10.42 H new ATOM 0 HB2 SER B 192 -10.545 21.732 -3.414 1.00 10.44 H new ATOM 0 HB3 SER B 192 -9.599 22.733 -2.331 1.00 10.44 H new ATOM 0 HG SER B 192 -11.881 23.026 -2.031 1.00 10.49 H new TER 2436 SER B 192