USER MOD reduce.3.24.130724 H: found=0, std=0, add=1155, rem=0, adj=25 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+ -128:sc= 0.0783 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -147:sc= -2.73! (180deg=-3.79!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 89:sc= -1.33 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -56:sc= 0.0488 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0.037) USER MOD Single : A 56 SER OG : rot -13:sc= -0.411 USER MOD Single : A 58 GLN : amide:sc= -0.0676 X(o=-0.068,f=-0.52) USER MOD Single : A 59 LYS NZ :NH3+ 159:sc= -0.0062 (180deg=-0.362) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0.422 USER MOD Single : A 80 HIS : no HE2:sc= -0.224 K(o=-0.22,f=-4.6!) USER MOD Single : A 92 SER OG : rot 37:sc= 0.0512 USER MOD Single : B 109 THR OG1 : rot 180:sc= 0 USER MOD Single : B 118 LYS NZ :NH3+ -140:sc= -2.87 (180deg=-4.07!) USER MOD Single : B 125 SER OG : rot 180:sc= 0 USER MOD Single : B 138 THR OG1 : rot 89:sc= -1.2 USER MOD Single : B 145 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 148 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : B 149 TYR OH : rot 180:sc= 0 USER MOD Single : B 152 SER OG : rot -56:sc= 0.0512 USER MOD Single : B 155 GLN : amide:sc= -0.125 X(o=-0.13,f=0) USER MOD Single : B 156 SER OG : rot -10:sc= -0.382 USER MOD Single : B 158 GLN : amide:sc= -0.0456 X(o=-0.046,f=-0.47) USER MOD Single : B 159 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.177) USER MOD Single : B 163 SER OG : rot 180:sc= 0 USER MOD Single : B 175 SER OG : rot 180:sc= 0.38 USER MOD Single : B 180 HIS : no HE2:sc= -0.885! C(o=-0.88!,f=-6.7!) USER MOD Single : B 192 SER OG : rot 31:sc= 0.0575 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 18.654 35.658 -13.066 1.00 9.95 N ATOM 2 CA ALA A 1 17.870 35.130 -11.916 1.00 9.34 C ATOM 3 C ALA A 1 17.687 36.193 -10.828 1.00 8.30 C ATOM 4 O ALA A 1 17.903 37.376 -11.072 1.00 8.16 O ATOM 5 CB ALA A 1 18.554 33.898 -11.348 1.00 9.73 C ATOM 0 H1 ALA A 1 18.136 35.481 -13.950 1.00 9.95 H new ATOM 0 H2 ALA A 1 18.798 36.681 -12.948 1.00 9.95 H new ATOM 0 H3 ALA A 1 19.577 35.181 -13.105 1.00 9.95 H new ATOM 0 HA ALA A 1 16.879 34.855 -12.276 1.00 9.34 H new ATOM 0 HB1 ALA A 1 17.976 33.516 -10.507 1.00 9.73 H new ATOM 0 HB2 ALA A 1 18.622 33.131 -12.120 1.00 9.73 H new ATOM 0 HB3 ALA A 1 19.556 34.162 -11.010 1.00 9.73 H new ATOM 13 N VAL A 2 17.334 35.748 -9.618 1.00 7.83 N ATOM 14 CA VAL A 2 17.150 36.646 -8.456 1.00 7.06 C ATOM 15 C VAL A 2 17.033 35.792 -7.205 1.00 5.87 C ATOM 16 O VAL A 2 16.240 36.067 -6.300 1.00 5.74 O ATOM 17 CB VAL A 2 15.881 37.535 -8.546 1.00 7.48 C ATOM 18 CG1 VAL A 2 15.919 38.637 -7.495 1.00 8.02 C ATOM 19 CG2 VAL A 2 15.716 38.144 -9.928 1.00 7.83 C ATOM 0 H VAL A 2 17.167 34.764 -9.409 1.00 7.83 H new ATOM 0 HA VAL A 2 18.012 37.313 -8.434 1.00 7.06 H new ATOM 0 HB VAL A 2 15.023 36.890 -8.357 1.00 7.48 H new ATOM 0 HG11 VAL A 2 15.020 39.248 -7.576 1.00 8.02 H new ATOM 0 HG12 VAL A 2 15.966 38.191 -6.502 1.00 8.02 H new ATOM 0 HG13 VAL A 2 16.798 39.262 -7.654 1.00 8.02 H new ATOM 0 HG21 VAL A 2 14.816 38.759 -9.950 1.00 7.83 H new ATOM 0 HG22 VAL A 2 16.584 38.762 -10.159 1.00 7.83 H new ATOM 0 HG23 VAL A 2 15.629 37.349 -10.668 1.00 7.83 H new ATOM 29 N LEU A 3 17.814 34.721 -7.188 1.00 5.32 N ATOM 30 CA LEU A 3 17.806 33.775 -6.102 1.00 4.36 C ATOM 31 C LEU A 3 19.089 32.969 -5.970 1.00 4.03 C ATOM 32 O LEU A 3 19.025 31.779 -5.660 1.00 4.40 O ATOM 33 CB LEU A 3 16.604 32.834 -6.295 1.00 4.40 C ATOM 34 CG LEU A 3 16.045 32.755 -7.722 1.00 5.00 C ATOM 35 CD1 LEU A 3 17.095 32.221 -8.691 1.00 5.26 C ATOM 36 CD2 LEU A 3 14.797 31.878 -7.758 1.00 5.86 C ATOM 0 H LEU A 3 18.470 34.491 -7.934 1.00 5.32 H new ATOM 0 HA LEU A 3 17.727 34.342 -5.175 1.00 4.36 H new ATOM 0 HB2 LEU A 3 16.897 31.832 -5.983 1.00 4.40 H new ATOM 0 HB3 LEU A 3 15.804 33.155 -5.628 1.00 4.40 H new ATOM 0 HG LEU A 3 15.774 33.763 -8.035 1.00 5.00 H new ATOM 0 HD11 LEU A 3 16.673 32.175 -9.695 1.00 5.26 H new ATOM 0 HD12 LEU A 3 17.961 32.884 -8.691 1.00 5.26 H new ATOM 0 HD13 LEU A 3 17.402 31.222 -8.380 1.00 5.26 H new ATOM 0 HD21 LEU A 3 14.413 31.833 -8.777 1.00 5.86 H new ATOM 0 HD22 LEU A 3 15.049 30.873 -7.420 1.00 5.86 H new ATOM 0 HD23 LEU A 3 14.036 32.301 -7.102 1.00 5.86 H new ATOM 48 N ASP A 4 20.234 33.610 -6.016 1.00 3.91 N ATOM 49 CA ASP A 4 21.428 32.877 -5.683 1.00 4.19 C ATOM 50 C ASP A 4 21.558 33.160 -4.201 1.00 3.97 C ATOM 51 O ASP A 4 20.627 32.928 -3.434 1.00 4.06 O ATOM 52 CB ASP A 4 22.649 33.360 -6.485 1.00 4.92 C ATOM 53 CG ASP A 4 22.532 33.051 -7.964 1.00 5.74 C ATOM 54 OD1 ASP A 4 22.931 31.940 -8.372 1.00 6.19 O ATOM 55 OD2 ASP A 4 22.039 33.919 -8.715 1.00 6.22 O ATOM 0 H ASP A 4 20.362 34.590 -6.268 1.00 3.91 H new ATOM 0 HA ASP A 4 21.375 31.815 -5.921 1.00 4.19 H new ATOM 0 HB2 ASP A 4 22.766 34.435 -6.350 1.00 4.92 H new ATOM 0 HB3 ASP A 4 23.549 32.889 -6.089 1.00 4.92 H new ATOM 60 N LEU A 5 22.646 33.818 -3.822 1.00 4.28 N ATOM 61 CA LEU A 5 22.785 34.279 -2.478 1.00 4.71 C ATOM 62 C LEU A 5 22.202 35.694 -2.330 1.00 5.46 C ATOM 63 O LEU A 5 22.418 36.338 -1.305 1.00 6.27 O ATOM 64 CB LEU A 5 24.235 34.223 -1.997 1.00 5.36 C ATOM 65 CG LEU A 5 24.456 34.237 -0.472 1.00 6.10 C ATOM 66 CD1 LEU A 5 23.178 33.917 0.315 1.00 5.79 C ATOM 67 CD2 LEU A 5 25.564 33.254 -0.104 1.00 7.09 C ATOM 0 H LEU A 5 23.432 34.036 -4.434 1.00 4.28 H new ATOM 0 HA LEU A 5 22.216 33.603 -1.839 1.00 4.71 H new ATOM 0 HB2 LEU A 5 24.693 33.320 -2.400 1.00 5.36 H new ATOM 0 HB3 LEU A 5 24.770 35.070 -2.427 1.00 5.36 H new ATOM 0 HG LEU A 5 24.750 35.249 -0.195 1.00 6.10 H new ATOM 0 HD11 LEU A 5 23.393 33.941 1.383 1.00 5.79 H new ATOM 0 HD12 LEU A 5 22.412 34.657 0.082 1.00 5.79 H new ATOM 0 HD13 LEU A 5 22.820 32.925 0.039 1.00 5.79 H new ATOM 0 HD21 LEU A 5 25.718 33.266 0.975 1.00 7.09 H new ATOM 0 HD22 LEU A 5 25.279 32.250 -0.418 1.00 7.09 H new ATOM 0 HD23 LEU A 5 26.488 33.543 -0.605 1.00 7.09 H new ATOM 79 N ASP A 6 21.353 36.109 -3.261 1.00 5.46 N ATOM 80 CA ASP A 6 20.646 37.344 -3.082 1.00 6.41 C ATOM 81 C ASP A 6 19.482 36.812 -2.306 1.00 6.28 C ATOM 82 O ASP A 6 19.747 36.113 -1.322 1.00 6.48 O ATOM 83 CB ASP A 6 20.300 38.048 -4.406 1.00 7.20 C ATOM 84 CG ASP A 6 21.149 39.294 -4.609 1.00 8.21 C ATOM 85 OD1 ASP A 6 22.392 39.169 -4.654 1.00 8.78 O ATOM 86 OD2 ASP A 6 20.571 40.399 -4.718 1.00 8.64 O ATOM 0 H ASP A 6 21.148 35.611 -4.127 1.00 5.46 H new ATOM 0 HA ASP A 6 21.187 38.150 -2.586 1.00 6.41 H new ATOM 0 HB2 ASP A 6 20.455 37.360 -5.237 1.00 7.20 H new ATOM 0 HB3 ASP A 6 19.245 38.320 -4.410 1.00 7.20 H new ATOM 91 N VAL A 7 18.222 37.015 -2.635 1.00 6.22 N ATOM 92 CA VAL A 7 17.257 36.386 -1.808 1.00 6.28 C ATOM 93 C VAL A 7 16.687 35.265 -2.664 1.00 5.52 C ATOM 94 O VAL A 7 16.106 35.518 -3.719 1.00 5.69 O ATOM 95 CB VAL A 7 16.252 37.501 -1.390 1.00 7.22 C ATOM 96 CG1 VAL A 7 15.390 37.978 -2.553 1.00 7.36 C ATOM 97 CG2 VAL A 7 15.432 37.114 -0.173 1.00 7.51 C ATOM 0 H VAL A 7 17.874 37.572 -3.415 1.00 6.22 H new ATOM 0 HA VAL A 7 17.615 35.940 -0.880 1.00 6.28 H new ATOM 0 HB VAL A 7 16.854 38.359 -1.091 1.00 7.22 H new ATOM 0 HG11 VAL A 7 14.708 38.754 -2.206 1.00 7.36 H new ATOM 0 HG12 VAL A 7 16.029 38.381 -3.338 1.00 7.36 H new ATOM 0 HG13 VAL A 7 14.815 37.140 -2.947 1.00 7.36 H new ATOM 0 HG21 VAL A 7 14.747 37.925 0.077 1.00 7.51 H new ATOM 0 HG22 VAL A 7 14.861 36.211 -0.391 1.00 7.51 H new ATOM 0 HG23 VAL A 7 16.098 36.928 0.670 1.00 7.51 H new ATOM 107 N ARG A 8 16.839 34.024 -2.225 1.00 5.09 N ATOM 108 CA ARG A 8 16.306 32.904 -2.995 1.00 4.80 C ATOM 109 C ARG A 8 14.844 32.837 -2.773 1.00 4.48 C ATOM 110 O ARG A 8 14.455 32.623 -1.632 1.00 4.96 O ATOM 111 CB ARG A 8 16.913 31.549 -2.611 1.00 5.24 C ATOM 112 CG ARG A 8 16.634 30.468 -3.652 1.00 6.15 C ATOM 113 CD ARG A 8 17.507 29.235 -3.474 1.00 6.93 C ATOM 114 NE ARG A 8 18.730 29.319 -4.269 1.00 7.61 N ATOM 115 CZ ARG A 8 19.266 28.289 -4.922 1.00 8.32 C ATOM 116 NH1 ARG A 8 18.643 27.116 -4.957 1.00 8.49 N ATOM 117 NH2 ARG A 8 20.420 28.440 -5.561 1.00 9.08 N ATOM 0 H ARG A 8 17.315 33.768 -1.360 1.00 5.09 H new ATOM 0 HA ARG A 8 16.561 33.086 -4.039 1.00 4.80 H new ATOM 0 HB2 ARG A 8 17.990 31.659 -2.486 1.00 5.24 H new ATOM 0 HB3 ARG A 8 16.511 31.234 -1.648 1.00 5.24 H new ATOM 0 HG2 ARG A 8 15.585 30.176 -3.593 1.00 6.15 H new ATOM 0 HG3 ARG A 8 16.795 30.880 -4.648 1.00 6.15 H new ATOM 0 HD2 ARG A 8 17.765 29.121 -2.421 1.00 6.93 H new ATOM 0 HD3 ARG A 8 16.945 28.347 -3.763 1.00 6.93 H new ATOM 0 HE ARG A 8 19.202 30.221 -4.328 1.00 7.61 H new ATOM 0 HH11 ARG A 8 17.748 27.000 -4.482 1.00 8.49 H new ATOM 0 HH12 ARG A 8 19.060 26.332 -5.459 1.00 8.49 H new ATOM 0 HH21 ARG A 8 20.894 29.343 -5.551 1.00 9.08 H new ATOM 0 HH22 ARG A 8 20.833 27.653 -6.062 1.00 9.08 H new ATOM 131 N THR A 9 13.995 33.003 -3.766 1.00 4.05 N ATOM 132 CA THR A 9 12.586 32.937 -3.378 1.00 4.08 C ATOM 133 C THR A 9 12.377 31.628 -2.596 1.00 3.18 C ATOM 134 O THR A 9 12.359 30.523 -3.132 1.00 3.47 O ATOM 135 CB THR A 9 11.677 32.951 -4.619 1.00 4.95 C ATOM 136 OG1 THR A 9 10.322 32.752 -4.253 1.00 5.55 O ATOM 137 CG2 THR A 9 12.035 31.892 -5.641 1.00 5.66 C ATOM 0 H THR A 9 14.211 33.168 -4.749 1.00 4.05 H new ATOM 0 HA THR A 9 12.329 33.802 -2.766 1.00 4.08 H new ATOM 0 HB THR A 9 11.826 33.932 -5.070 1.00 4.95 H new ATOM 0 HG1 THR A 9 9.761 32.766 -5.056 1.00 5.55 H new ATOM 0 HG21 THR A 9 11.354 31.960 -6.489 1.00 5.66 H new ATOM 0 HG22 THR A 9 13.058 32.048 -5.984 1.00 5.66 H new ATOM 0 HG23 THR A 9 11.952 30.905 -5.187 1.00 5.66 H new ATOM 145 N CYS A 10 12.233 31.838 -1.280 1.00 2.54 N ATOM 146 CA CYS A 10 12.022 30.806 -0.276 1.00 1.93 C ATOM 147 C CYS A 10 10.573 30.321 -0.218 1.00 1.72 C ATOM 148 O CYS A 10 9.886 30.636 0.754 1.00 1.97 O ATOM 149 CB CYS A 10 12.447 31.324 1.102 1.00 2.28 C ATOM 150 SG CYS A 10 14.250 31.490 1.338 1.00 2.68 S ATOM 0 H CYS A 10 12.263 32.775 -0.877 1.00 2.54 H new ATOM 0 HA CYS A 10 12.636 29.953 -0.565 1.00 1.93 H new ATOM 0 HB2 CYS A 10 11.983 32.296 1.268 1.00 2.28 H new ATOM 0 HB3 CYS A 10 12.056 30.650 1.864 1.00 2.28 H new ATOM 155 N LEU A 11 10.078 29.586 -1.207 1.00 1.49 N ATOM 156 CA LEU A 11 8.676 29.128 -1.152 1.00 1.39 C ATOM 157 C LEU A 11 8.250 28.896 0.305 1.00 1.20 C ATOM 158 O LEU A 11 8.717 27.957 0.920 1.00 1.16 O ATOM 159 CB LEU A 11 8.499 27.816 -1.928 1.00 1.55 C ATOM 160 CG LEU A 11 8.570 27.907 -3.458 1.00 1.91 C ATOM 161 CD1 LEU A 11 9.913 28.452 -3.913 1.00 2.48 C ATOM 162 CD2 LEU A 11 8.320 26.538 -4.070 1.00 2.29 C ATOM 0 H LEU A 11 10.598 29.297 -2.035 1.00 1.49 H new ATOM 0 HA LEU A 11 8.056 29.902 -1.604 1.00 1.39 H new ATOM 0 HB2 LEU A 11 9.264 27.116 -1.593 1.00 1.55 H new ATOM 0 HB3 LEU A 11 7.534 27.387 -1.657 1.00 1.55 H new ATOM 0 HG LEU A 11 7.797 28.597 -3.797 1.00 1.91 H new ATOM 0 HD11 LEU A 11 9.934 28.505 -5.001 1.00 2.48 H new ATOM 0 HD12 LEU A 11 10.061 29.449 -3.498 1.00 2.48 H new ATOM 0 HD13 LEU A 11 10.709 27.793 -3.566 1.00 2.48 H new ATOM 0 HD21 LEU A 11 8.372 26.610 -5.156 1.00 2.29 H new ATOM 0 HD22 LEU A 11 9.077 25.838 -3.716 1.00 2.29 H new ATOM 0 HD23 LEU A 11 7.332 26.183 -3.777 1.00 2.29 H new ATOM 174 N PRO A 12 7.381 29.740 0.897 1.00 1.19 N ATOM 175 CA PRO A 12 6.973 29.568 2.299 1.00 1.11 C ATOM 176 C PRO A 12 5.848 28.559 2.514 1.00 1.01 C ATOM 177 O PRO A 12 4.871 28.561 1.757 1.00 1.05 O ATOM 178 CB PRO A 12 6.471 30.959 2.667 1.00 1.29 C ATOM 179 CG PRO A 12 5.907 31.494 1.398 1.00 1.49 C ATOM 180 CD PRO A 12 6.771 30.941 0.295 1.00 1.39 C ATOM 0 HA PRO A 12 7.799 29.182 2.897 1.00 1.11 H new ATOM 0 HB2 PRO A 12 5.715 30.915 3.451 1.00 1.29 H new ATOM 0 HB3 PRO A 12 7.280 31.588 3.039 1.00 1.29 H new ATOM 0 HG2 PRO A 12 4.869 31.187 1.272 1.00 1.49 H new ATOM 0 HG3 PRO A 12 5.919 32.584 1.394 1.00 1.49 H new ATOM 0 HD2 PRO A 12 6.182 30.691 -0.588 1.00 1.39 H new ATOM 0 HD3 PRO A 12 7.528 31.660 -0.019 1.00 1.39 H new ATOM 188 N CYS A 13 5.964 27.674 3.534 1.00 0.93 N ATOM 189 CA CYS A 13 4.867 26.695 3.744 1.00 0.89 C ATOM 190 C CYS A 13 4.663 26.404 5.216 1.00 0.90 C ATOM 191 O CYS A 13 5.347 26.995 6.054 1.00 1.00 O ATOM 192 CB CYS A 13 5.128 25.385 2.979 1.00 0.82 C ATOM 193 SG CYS A 13 6.625 24.473 3.487 1.00 0.86 S ATOM 0 H CYS A 13 6.748 27.614 4.184 1.00 0.93 H new ATOM 0 HA CYS A 13 3.956 27.147 3.351 1.00 0.89 H new ATOM 0 HB2 CYS A 13 4.264 24.732 3.104 1.00 0.82 H new ATOM 0 HB3 CYS A 13 5.204 25.613 1.916 1.00 0.82 H new ATOM 198 N GLY A 14 3.787 25.475 5.567 1.00 0.91 N ATOM 199 CA GLY A 14 3.590 25.131 6.986 1.00 0.98 C ATOM 200 C GLY A 14 2.778 26.161 7.780 1.00 1.10 C ATOM 201 O GLY A 14 2.154 27.039 7.189 1.00 1.15 O ATOM 0 H GLY A 14 3.207 24.950 4.912 1.00 0.91 H new ATOM 0 HA2 GLY A 14 3.088 24.165 7.047 1.00 0.98 H new ATOM 0 HA3 GLY A 14 4.566 25.013 7.458 1.00 0.98 H new ATOM 205 N PRO A 15 2.817 26.103 9.143 1.00 1.19 N ATOM 206 CA PRO A 15 2.122 27.058 10.059 1.00 1.33 C ATOM 207 C PRO A 15 2.683 28.446 9.864 1.00 1.40 C ATOM 208 O PRO A 15 3.818 28.737 10.218 1.00 1.57 O ATOM 209 CB PRO A 15 2.494 26.513 11.428 1.00 1.46 C ATOM 210 CG PRO A 15 3.850 26.099 11.115 1.00 1.39 C ATOM 211 CD PRO A 15 3.629 25.189 9.949 1.00 1.21 C ATOM 0 HA PRO A 15 1.046 27.136 9.901 1.00 1.33 H new ATOM 0 HB2 PRO A 15 2.450 27.268 12.213 1.00 1.46 H new ATOM 0 HB3 PRO A 15 1.858 25.686 11.744 1.00 1.46 H new ATOM 0 HG2 PRO A 15 4.487 26.945 10.858 1.00 1.39 H new ATOM 0 HG3 PRO A 15 4.324 25.585 11.951 1.00 1.39 H new ATOM 0 HD2 PRO A 15 4.555 24.893 9.456 1.00 1.21 H new ATOM 0 HD3 PRO A 15 3.103 24.272 10.216 1.00 1.21 H new ATOM 219 N GLY A 16 1.898 29.313 9.355 1.00 1.34 N ATOM 220 CA GLY A 16 2.277 30.667 9.104 1.00 1.47 C ATOM 221 C GLY A 16 3.001 30.778 7.796 1.00 1.43 C ATOM 222 O GLY A 16 3.146 31.886 7.254 1.00 1.68 O ATOM 0 H GLY A 16 0.936 29.103 9.088 1.00 1.34 H new ATOM 0 HA2 GLY A 16 1.391 31.302 9.091 1.00 1.47 H new ATOM 0 HA3 GLY A 16 2.915 31.027 9.911 1.00 1.47 H new ATOM 226 N GLY A 17 3.392 29.634 7.211 1.00 1.28 N ATOM 227 CA GLY A 17 4.013 29.717 5.939 1.00 1.25 C ATOM 228 C GLY A 17 5.357 30.355 6.024 1.00 1.24 C ATOM 229 O GLY A 17 5.725 31.256 5.278 1.00 1.36 O ATOM 0 H GLY A 17 3.284 28.697 7.599 1.00 1.28 H new ATOM 0 HA2 GLY A 17 4.111 28.717 5.515 1.00 1.25 H new ATOM 0 HA3 GLY A 17 3.380 30.290 5.261 1.00 1.25 H new ATOM 233 N LYS A 18 6.099 29.834 7.027 1.00 1.18 N ATOM 234 CA LYS A 18 7.437 30.273 7.325 1.00 1.23 C ATOM 235 C LYS A 18 8.486 29.437 6.597 1.00 1.13 C ATOM 236 O LYS A 18 9.591 29.923 6.368 1.00 1.22 O ATOM 237 CB LYS A 18 7.710 30.257 8.832 1.00 1.28 C ATOM 238 CG LYS A 18 6.491 29.939 9.693 1.00 1.34 C ATOM 239 CD LYS A 18 6.550 28.531 10.273 1.00 1.73 C ATOM 240 CE LYS A 18 7.070 27.518 9.267 1.00 1.91 C ATOM 241 NZ LYS A 18 8.504 27.188 9.502 1.00 2.50 N ATOM 0 H LYS A 18 5.764 29.094 7.643 1.00 1.18 H new ATOM 0 HA LYS A 18 7.513 31.300 6.968 1.00 1.23 H new ATOM 0 HB2 LYS A 18 8.487 29.522 9.040 1.00 1.28 H new ATOM 0 HB3 LYS A 18 8.104 31.229 9.127 1.00 1.28 H new ATOM 0 HG2 LYS A 18 6.423 30.663 10.505 1.00 1.34 H new ATOM 0 HG3 LYS A 18 5.587 30.046 9.094 1.00 1.34 H new ATOM 0 HD2 LYS A 18 7.193 28.529 11.153 1.00 1.73 H new ATOM 0 HD3 LYS A 18 5.555 28.234 10.604 1.00 1.73 H new ATOM 0 HE2 LYS A 18 6.473 26.608 9.327 1.00 1.91 H new ATOM 0 HE3 LYS A 18 6.949 27.913 8.258 1.00 1.91 H new ATOM 0 HZ1 LYS A 18 8.969 26.991 8.593 1.00 2.50 H new ATOM 0 HZ2 LYS A 18 8.974 27.992 9.964 1.00 2.50 H new ATOM 0 HZ3 LYS A 18 8.572 26.350 10.114 1.00 2.50 H new ATOM 255 N GLY A 19 8.217 28.156 6.295 1.00 1.02 N ATOM 256 CA GLY A 19 9.207 27.295 5.682 1.00 0.95 C ATOM 257 C GLY A 19 9.010 27.038 4.200 1.00 0.91 C ATOM 258 O GLY A 19 8.203 27.654 3.537 1.00 1.00 O ATOM 0 H GLY A 19 7.318 27.706 6.471 1.00 1.02 H new ATOM 0 HA2 GLY A 19 10.192 27.738 5.830 1.00 0.95 H new ATOM 0 HA3 GLY A 19 9.206 26.338 6.204 1.00 0.95 H new ATOM 262 N ARG A 20 9.899 26.223 3.682 1.00 0.86 N ATOM 263 CA ARG A 20 9.947 25.945 2.254 1.00 0.86 C ATOM 264 C ARG A 20 9.216 24.666 1.800 1.00 0.80 C ATOM 265 O ARG A 20 9.179 23.643 2.490 1.00 0.78 O ATOM 266 CB ARG A 20 11.382 25.947 1.805 1.00 0.94 C ATOM 267 CG ARG A 20 11.746 27.238 1.091 1.00 1.13 C ATOM 268 CD ARG A 20 12.880 28.000 1.774 1.00 1.55 C ATOM 269 NE ARG A 20 13.619 27.191 2.743 1.00 1.82 N ATOM 270 CZ ARG A 20 14.571 26.320 2.417 1.00 2.25 C ATOM 271 NH1 ARG A 20 14.905 26.129 1.145 1.00 2.59 N ATOM 272 NH2 ARG A 20 15.192 25.638 3.368 1.00 2.92 N ATOM 0 H ARG A 20 10.608 25.734 4.229 1.00 0.86 H new ATOM 0 HA ARG A 20 9.387 26.744 1.768 1.00 0.86 H new ATOM 0 HB2 ARG A 20 12.034 25.813 2.668 1.00 0.94 H new ATOM 0 HB3 ARG A 20 11.556 25.102 1.139 1.00 0.94 H new ATOM 0 HG2 ARG A 20 12.035 27.010 0.065 1.00 1.13 H new ATOM 0 HG3 ARG A 20 10.865 27.878 1.039 1.00 1.13 H new ATOM 0 HD2 ARG A 20 13.571 28.367 1.015 1.00 1.55 H new ATOM 0 HD3 ARG A 20 12.469 28.874 2.279 1.00 1.55 H new ATOM 0 HE ARG A 20 13.390 27.301 3.731 1.00 1.82 H new ATOM 0 HH11 ARG A 20 14.430 26.652 0.409 1.00 2.59 H new ATOM 0 HH12 ARG A 20 15.636 25.459 0.905 1.00 2.59 H new ATOM 0 HH21 ARG A 20 14.940 25.781 4.346 1.00 2.92 H new ATOM 0 HH22 ARG A 20 15.922 24.970 3.122 1.00 2.92 H new ATOM 286 N CYS A 21 8.629 24.783 0.597 1.00 0.82 N ATOM 287 CA CYS A 21 7.869 23.719 -0.055 1.00 0.81 C ATOM 288 C CYS A 21 8.669 23.175 -1.231 1.00 0.84 C ATOM 289 O CYS A 21 9.690 23.748 -1.609 1.00 1.04 O ATOM 290 CB CYS A 21 6.540 24.277 -0.595 1.00 0.91 C ATOM 291 SG CYS A 21 5.027 23.591 0.140 1.00 1.10 S ATOM 0 H CYS A 21 8.674 25.639 0.045 1.00 0.82 H new ATOM 0 HA CYS A 21 7.673 22.931 0.672 1.00 0.81 H new ATOM 0 HB2 CYS A 21 6.535 25.357 -0.445 1.00 0.91 H new ATOM 0 HB3 CYS A 21 6.507 24.104 -1.671 1.00 0.91 H new ATOM 296 N PHE A 22 8.210 22.072 -1.807 1.00 0.76 N ATOM 297 CA PHE A 22 8.903 21.463 -2.938 1.00 0.83 C ATOM 298 C PHE A 22 7.940 20.603 -3.762 1.00 0.94 C ATOM 299 O PHE A 22 8.204 19.430 -4.023 1.00 1.43 O ATOM 300 CB PHE A 22 10.085 20.623 -2.427 1.00 0.85 C ATOM 301 CG PHE A 22 11.047 21.414 -1.577 1.00 0.84 C ATOM 302 CD1 PHE A 22 10.730 21.744 -0.261 1.00 1.40 C ATOM 303 CD2 PHE A 22 12.253 21.857 -2.101 1.00 1.42 C ATOM 304 CE1 PHE A 22 11.596 22.498 0.510 1.00 1.51 C ATOM 305 CE2 PHE A 22 13.121 22.614 -1.335 1.00 1.50 C ATOM 306 CZ PHE A 22 12.793 22.936 -0.028 1.00 1.14 C ATOM 0 H PHE A 22 7.365 21.582 -1.513 1.00 0.76 H new ATOM 0 HA PHE A 22 9.285 22.251 -3.587 1.00 0.83 H new ATOM 0 HB2 PHE A 22 9.703 19.783 -1.847 1.00 0.85 H new ATOM 0 HB3 PHE A 22 10.621 20.204 -3.279 1.00 0.85 H new ATOM 0 HD1 PHE A 22 9.796 21.407 0.163 1.00 1.40 H new ATOM 0 HD2 PHE A 22 12.517 21.608 -3.118 1.00 1.42 H new ATOM 0 HE1 PHE A 22 11.338 22.744 1.530 1.00 1.51 H new ATOM 0 HE2 PHE A 22 14.055 22.954 -1.756 1.00 1.50 H new ATOM 0 HZ PHE A 22 13.470 23.528 0.570 1.00 1.14 H new ATOM 316 N GLY A 23 6.816 21.201 -4.158 1.00 0.83 N ATOM 317 CA GLY A 23 5.815 20.493 -4.938 1.00 0.88 C ATOM 318 C GLY A 23 4.423 20.720 -4.382 1.00 0.88 C ATOM 319 O GLY A 23 4.132 21.804 -3.891 1.00 0.90 O ATOM 0 H GLY A 23 6.581 22.171 -3.949 1.00 0.83 H new ATOM 0 HA2 GLY A 23 5.854 20.828 -5.974 1.00 0.88 H new ATOM 0 HA3 GLY A 23 6.039 19.426 -4.939 1.00 0.88 H new ATOM 323 N PRO A 24 3.529 19.723 -4.451 1.00 1.01 N ATOM 324 CA PRO A 24 2.176 19.845 -3.943 1.00 1.07 C ATOM 325 C PRO A 24 2.045 19.308 -2.516 1.00 0.96 C ATOM 326 O PRO A 24 1.875 20.076 -1.570 1.00 1.03 O ATOM 327 CB PRO A 24 1.376 18.985 -4.924 1.00 1.32 C ATOM 328 CG PRO A 24 2.361 18.015 -5.521 1.00 1.50 C ATOM 329 CD PRO A 24 3.745 18.401 -5.039 1.00 1.24 C ATOM 0 HA PRO A 24 1.839 20.880 -3.882 1.00 1.07 H new ATOM 0 HB2 PRO A 24 0.569 18.458 -4.414 1.00 1.32 H new ATOM 0 HB3 PRO A 24 0.916 19.600 -5.697 1.00 1.32 H new ATOM 0 HG2 PRO A 24 2.123 16.995 -5.219 1.00 1.50 H new ATOM 0 HG3 PRO A 24 2.314 18.045 -6.610 1.00 1.50 H new ATOM 0 HD2 PRO A 24 4.130 17.691 -4.307 1.00 1.24 H new ATOM 0 HD3 PRO A 24 4.463 18.436 -5.858 1.00 1.24 H new ATOM 337 N SER A 25 2.143 17.988 -2.365 1.00 0.97 N ATOM 338 CA SER A 25 2.053 17.354 -1.051 1.00 0.92 C ATOM 339 C SER A 25 3.446 17.198 -0.459 1.00 0.78 C ATOM 340 O SER A 25 3.801 16.129 0.028 1.00 0.81 O ATOM 341 CB SER A 25 1.370 15.979 -1.163 1.00 1.12 C ATOM 342 OG SER A 25 -0.037 16.105 -1.068 1.00 1.26 O ATOM 0 H SER A 25 2.285 17.337 -3.137 1.00 0.97 H new ATOM 0 HA SER A 25 1.453 17.986 -0.396 1.00 0.92 H new ATOM 0 HB2 SER A 25 1.634 15.513 -2.112 1.00 1.12 H new ATOM 0 HB3 SER A 25 1.735 15.322 -0.373 1.00 1.12 H new ATOM 0 HG SER A 25 -0.451 15.220 -1.143 1.00 1.26 H new ATOM 348 N ILE A 26 4.254 18.257 -0.543 1.00 0.70 N ATOM 349 CA ILE A 26 5.617 18.194 -0.053 1.00 0.61 C ATOM 350 C ILE A 26 6.077 19.540 0.557 1.00 0.58 C ATOM 351 O ILE A 26 6.196 20.543 -0.148 1.00 0.73 O ATOM 352 CB ILE A 26 6.523 17.772 -1.232 1.00 0.60 C ATOM 353 CG1 ILE A 26 6.229 16.338 -1.674 1.00 0.79 C ATOM 354 CG2 ILE A 26 7.995 17.947 -0.937 1.00 0.74 C ATOM 355 CD1 ILE A 26 5.957 16.215 -3.159 1.00 0.83 C ATOM 0 H ILE A 26 3.985 19.156 -0.943 1.00 0.70 H new ATOM 0 HA ILE A 26 5.682 17.464 0.753 1.00 0.61 H new ATOM 0 HB ILE A 26 6.283 18.447 -2.054 1.00 0.60 H new ATOM 0 HG12 ILE A 26 7.076 15.703 -1.413 1.00 0.79 H new ATOM 0 HG13 ILE A 26 5.367 15.964 -1.121 1.00 0.79 H new ATOM 0 HG21 ILE A 26 8.579 17.634 -1.802 1.00 0.74 H new ATOM 0 HG22 ILE A 26 8.201 18.995 -0.720 1.00 0.74 H new ATOM 0 HG23 ILE A 26 8.268 17.338 -0.075 1.00 0.74 H new ATOM 0 HD11 ILE A 26 5.756 15.173 -3.407 1.00 0.83 H new ATOM 0 HD12 ILE A 26 5.092 16.824 -3.422 1.00 0.83 H new ATOM 0 HD13 ILE A 26 6.827 16.560 -3.718 1.00 0.83 H new ATOM 367 N CYS A 27 6.345 19.544 1.872 1.00 0.56 N ATOM 368 CA CYS A 27 6.801 20.756 2.584 1.00 0.56 C ATOM 369 C CYS A 27 7.721 20.385 3.761 1.00 0.55 C ATOM 370 O CYS A 27 7.350 19.618 4.644 1.00 0.59 O ATOM 371 CB CYS A 27 5.590 21.585 3.064 1.00 0.60 C ATOM 372 SG CYS A 27 5.938 22.790 4.401 1.00 0.92 S ATOM 0 H CYS A 27 6.255 18.721 2.468 1.00 0.56 H new ATOM 0 HA CYS A 27 7.379 21.368 1.891 1.00 0.56 H new ATOM 0 HB2 CYS A 27 5.180 22.125 2.210 1.00 0.60 H new ATOM 0 HB3 CYS A 27 4.816 20.899 3.409 1.00 0.60 H new ATOM 377 N CYS A 28 8.924 20.950 3.743 1.00 0.56 N ATOM 378 CA CYS A 28 9.945 20.732 4.756 1.00 0.58 C ATOM 379 C CYS A 28 10.445 22.067 5.328 1.00 0.61 C ATOM 380 O CYS A 28 10.479 23.071 4.622 1.00 0.76 O ATOM 381 CB CYS A 28 11.118 20.025 4.100 1.00 0.65 C ATOM 382 SG CYS A 28 11.978 18.777 5.106 1.00 1.28 S ATOM 0 H CYS A 28 9.221 21.588 3.004 1.00 0.56 H new ATOM 0 HA CYS A 28 9.521 20.139 5.566 1.00 0.58 H new ATOM 0 HB2 CYS A 28 10.760 19.543 3.190 1.00 0.65 H new ATOM 0 HB3 CYS A 28 11.845 20.779 3.797 1.00 0.65 H new ATOM 387 N GLY A 29 10.918 22.048 6.588 1.00 0.62 N ATOM 388 CA GLY A 29 11.475 23.224 7.166 1.00 0.65 C ATOM 389 C GLY A 29 12.654 22.891 8.066 1.00 0.67 C ATOM 390 O GLY A 29 13.018 21.735 8.246 1.00 0.66 O ATOM 0 H GLY A 29 10.914 21.229 7.196 1.00 0.62 H new ATOM 0 HA2 GLY A 29 11.798 23.902 6.376 1.00 0.65 H new ATOM 0 HA3 GLY A 29 10.711 23.746 7.742 1.00 0.65 H new ATOM 394 N ASP A 30 13.209 23.928 8.631 1.00 0.72 N ATOM 395 CA ASP A 30 14.321 23.907 9.568 1.00 0.76 C ATOM 396 C ASP A 30 13.931 23.325 10.920 1.00 0.77 C ATOM 397 O ASP A 30 14.639 22.505 11.517 1.00 0.80 O ATOM 398 CB ASP A 30 14.928 25.291 9.761 1.00 0.84 C ATOM 399 CG ASP A 30 16.336 25.214 10.322 1.00 1.41 C ATOM 400 OD1 ASP A 30 17.255 24.824 9.571 1.00 1.92 O ATOM 401 OD2 ASP A 30 16.518 25.536 11.515 1.00 2.27 O ATOM 0 H ASP A 30 12.882 24.876 8.443 1.00 0.72 H new ATOM 0 HA ASP A 30 15.072 23.255 9.121 1.00 0.76 H new ATOM 0 HB2 ASP A 30 14.945 25.817 8.807 1.00 0.84 H new ATOM 0 HB3 ASP A 30 14.299 25.873 10.435 1.00 0.84 H new ATOM 406 N GLU A 31 12.776 23.791 11.369 1.00 0.78 N ATOM 407 CA GLU A 31 12.281 23.305 12.677 1.00 0.83 C ATOM 408 C GLU A 31 10.959 22.673 12.547 1.00 0.87 C ATOM 409 O GLU A 31 10.134 22.686 13.464 1.00 1.00 O ATOM 410 CB GLU A 31 12.245 24.417 13.714 1.00 0.90 C ATOM 411 CG GLU A 31 12.047 25.805 13.146 1.00 0.99 C ATOM 412 CD GLU A 31 11.480 26.762 14.176 1.00 1.14 C ATOM 413 OE1 GLU A 31 12.237 27.186 15.076 1.00 1.66 O ATOM 414 OE2 GLU A 31 10.277 27.082 14.087 1.00 1.64 O ATOM 0 H GLU A 31 12.182 24.467 10.890 1.00 0.78 H new ATOM 0 HA GLU A 31 12.986 22.550 13.025 1.00 0.83 H new ATOM 0 HB2 GLU A 31 11.441 24.210 14.421 1.00 0.90 H new ATOM 0 HB3 GLU A 31 13.178 24.400 14.278 1.00 0.90 H new ATOM 0 HG2 GLU A 31 13.000 26.187 12.781 1.00 0.99 H new ATOM 0 HG3 GLU A 31 11.375 25.754 12.289 1.00 0.99 H new ATOM 421 N LEU A 32 10.702 22.222 11.320 1.00 0.82 N ATOM 422 CA LEU A 32 9.446 21.674 10.928 1.00 0.88 C ATOM 423 C LEU A 32 9.652 20.308 10.338 1.00 0.82 C ATOM 424 O LEU A 32 8.874 19.385 10.565 1.00 0.90 O ATOM 425 CB LEU A 32 8.846 22.641 9.924 1.00 0.93 C ATOM 426 CG LEU A 32 7.504 23.257 10.338 1.00 1.15 C ATOM 427 CD1 LEU A 32 6.995 24.252 9.290 1.00 1.24 C ATOM 428 CD2 LEU A 32 6.474 22.163 10.598 1.00 1.37 C ATOM 0 H LEU A 32 11.391 22.237 10.568 1.00 0.82 H new ATOM 0 HA LEU A 32 8.770 21.552 11.774 1.00 0.88 H new ATOM 0 HB2 LEU A 32 9.559 23.446 9.747 1.00 0.93 H new ATOM 0 HB3 LEU A 32 8.712 22.120 8.976 1.00 0.93 H new ATOM 0 HG LEU A 32 7.661 23.812 11.263 1.00 1.15 H new ATOM 0 HD11 LEU A 32 6.042 24.669 9.617 1.00 1.24 H new ATOM 0 HD12 LEU A 32 7.721 25.056 9.169 1.00 1.24 H new ATOM 0 HD13 LEU A 32 6.860 23.740 8.337 1.00 1.24 H new ATOM 0 HD21 LEU A 32 5.527 22.617 10.891 1.00 1.37 H new ATOM 0 HD22 LEU A 32 6.330 21.576 9.691 1.00 1.37 H new ATOM 0 HD23 LEU A 32 6.828 21.513 11.398 1.00 1.37 H new ATOM 440 N GLY A 33 10.747 20.174 9.626 1.00 0.73 N ATOM 441 CA GLY A 33 11.090 18.913 9.057 1.00 0.71 C ATOM 442 C GLY A 33 10.537 18.684 7.667 1.00 0.67 C ATOM 443 O GLY A 33 10.404 19.636 6.911 1.00 0.65 O ATOM 0 H GLY A 33 11.407 20.927 9.433 1.00 0.73 H new ATOM 0 HA2 GLY A 33 12.176 18.827 9.022 1.00 0.71 H new ATOM 0 HA3 GLY A 33 10.729 18.121 9.714 1.00 0.71 H new ATOM 447 N CYS A 34 10.043 17.487 7.350 1.00 0.70 N ATOM 448 CA CYS A 34 9.452 17.247 6.062 1.00 0.69 C ATOM 449 C CYS A 34 8.086 16.675 6.217 1.00 0.65 C ATOM 450 O CYS A 34 7.939 15.598 6.791 1.00 0.62 O ATOM 451 CB CYS A 34 10.301 16.269 5.297 1.00 0.73 C ATOM 452 SG CYS A 34 11.533 17.028 4.193 1.00 1.08 S ATOM 0 H CYS A 34 10.047 16.680 7.974 1.00 0.70 H new ATOM 0 HA CYS A 34 9.388 18.194 5.525 1.00 0.69 H new ATOM 0 HB2 CYS A 34 10.819 15.625 6.008 1.00 0.73 H new ATOM 0 HB3 CYS A 34 9.648 15.629 4.704 1.00 0.73 H new ATOM 457 N PHE A 35 7.079 17.350 5.677 1.00 0.68 N ATOM 458 CA PHE A 35 5.751 16.825 5.726 1.00 0.67 C ATOM 459 C PHE A 35 5.357 16.659 4.287 1.00 0.64 C ATOM 460 O PHE A 35 5.131 17.640 3.578 1.00 0.63 O ATOM 461 CB PHE A 35 4.768 17.755 6.454 1.00 0.69 C ATOM 462 CG PHE A 35 5.324 19.092 6.847 1.00 0.73 C ATOM 463 CD1 PHE A 35 6.541 19.198 7.491 1.00 1.16 C ATOM 464 CD2 PHE A 35 4.619 20.239 6.568 1.00 0.98 C ATOM 465 CE1 PHE A 35 7.043 20.424 7.842 1.00 1.38 C ATOM 466 CE2 PHE A 35 5.114 21.472 6.919 1.00 1.21 C ATOM 467 CZ PHE A 35 6.331 21.563 7.553 1.00 1.26 C ATOM 0 H PHE A 35 7.170 18.251 5.208 1.00 0.68 H new ATOM 0 HA PHE A 35 5.722 15.892 6.288 1.00 0.67 H new ATOM 0 HB2 PHE A 35 3.901 17.914 5.813 1.00 0.69 H new ATOM 0 HB3 PHE A 35 4.412 17.250 7.352 1.00 0.69 H new ATOM 0 HD1 PHE A 35 7.103 18.305 7.721 1.00 1.16 H new ATOM 0 HD2 PHE A 35 3.665 20.170 6.067 1.00 0.98 H new ATOM 0 HE1 PHE A 35 7.996 20.495 8.345 1.00 1.38 H new ATOM 0 HE2 PHE A 35 4.550 22.366 6.698 1.00 1.21 H new ATOM 0 HZ PHE A 35 6.727 22.530 7.824 1.00 1.26 H new ATOM 477 N VAL A 36 5.304 15.429 3.846 1.00 0.67 N ATOM 478 CA VAL A 36 4.975 15.169 2.481 1.00 0.68 C ATOM 479 C VAL A 36 3.484 14.961 2.343 1.00 0.71 C ATOM 480 O VAL A 36 2.965 13.858 2.478 1.00 0.74 O ATOM 481 CB VAL A 36 5.781 13.993 1.904 1.00 0.74 C ATOM 482 CG1 VAL A 36 5.992 14.212 0.416 1.00 0.75 C ATOM 483 CG2 VAL A 36 7.140 13.857 2.616 1.00 0.76 C ATOM 0 H VAL A 36 5.484 14.601 4.413 1.00 0.67 H new ATOM 0 HA VAL A 36 5.255 16.040 1.889 1.00 0.68 H new ATOM 0 HB VAL A 36 5.222 13.071 2.064 1.00 0.74 H new ATOM 0 HG11 VAL A 36 6.563 13.380 0.003 1.00 0.75 H new ATOM 0 HG12 VAL A 36 5.025 14.272 -0.084 1.00 0.75 H new ATOM 0 HG13 VAL A 36 6.539 15.141 0.259 1.00 0.75 H new ATOM 0 HG21 VAL A 36 7.691 13.019 2.190 1.00 0.76 H new ATOM 0 HG22 VAL A 36 7.714 14.774 2.483 1.00 0.76 H new ATOM 0 HG23 VAL A 36 6.978 13.682 3.680 1.00 0.76 H new ATOM 493 N GLY A 37 2.807 16.073 2.110 1.00 0.71 N ATOM 494 CA GLY A 37 1.364 16.065 1.968 1.00 0.76 C ATOM 495 C GLY A 37 0.661 16.228 3.296 1.00 0.72 C ATOM 496 O GLY A 37 0.327 15.242 3.952 1.00 0.81 O ATOM 0 H GLY A 37 3.236 16.993 2.015 1.00 0.71 H new ATOM 0 HA2 GLY A 37 1.062 16.869 1.297 1.00 0.76 H new ATOM 0 HA3 GLY A 37 1.051 15.129 1.505 1.00 0.76 H new ATOM 500 N THR A 38 0.448 17.478 3.691 1.00 0.68 N ATOM 501 CA THR A 38 -0.209 17.786 4.951 1.00 0.68 C ATOM 502 C THR A 38 -0.969 19.111 4.852 1.00 0.72 C ATOM 503 O THR A 38 -0.866 19.823 3.855 1.00 0.77 O ATOM 504 CB THR A 38 0.815 17.843 6.092 1.00 0.72 C ATOM 505 OG1 THR A 38 1.871 18.735 5.788 1.00 0.77 O ATOM 506 CG2 THR A 38 1.435 16.500 6.409 1.00 0.76 C ATOM 0 H THR A 38 0.724 18.298 3.151 1.00 0.68 H new ATOM 0 HA THR A 38 -0.924 16.992 5.166 1.00 0.68 H new ATOM 0 HB THR A 38 0.249 18.184 6.959 1.00 0.72 H new ATOM 0 HG1 THR A 38 1.635 19.637 6.091 1.00 0.77 H new ATOM 0 HG21 THR A 38 2.149 16.612 7.225 1.00 0.76 H new ATOM 0 HG22 THR A 38 0.654 15.799 6.705 1.00 0.76 H new ATOM 0 HG23 THR A 38 1.949 16.119 5.526 1.00 0.76 H new ATOM 514 N ALA A 39 -1.677 19.455 5.920 1.00 0.77 N ATOM 515 CA ALA A 39 -2.398 20.731 5.929 1.00 0.86 C ATOM 516 C ALA A 39 -1.353 21.846 5.848 1.00 0.82 C ATOM 517 O ALA A 39 -1.506 22.829 5.127 1.00 0.86 O ATOM 518 CB ALA A 39 -3.268 20.854 7.178 1.00 1.02 C ATOM 0 H ALA A 39 -1.770 18.894 6.767 1.00 0.77 H new ATOM 0 HA ALA A 39 -3.076 20.800 5.078 1.00 0.86 H new ATOM 0 HB1 ALA A 39 -3.793 21.809 7.163 1.00 1.02 H new ATOM 0 HB2 ALA A 39 -3.994 20.041 7.198 1.00 1.02 H new ATOM 0 HB3 ALA A 39 -2.639 20.800 8.066 1.00 1.02 H new ATOM 524 N GLU A 40 -0.285 21.636 6.603 1.00 0.78 N ATOM 525 CA GLU A 40 0.841 22.572 6.658 1.00 0.79 C ATOM 526 C GLU A 40 1.393 22.816 5.255 1.00 0.74 C ATOM 527 O GLU A 40 1.859 23.908 4.930 1.00 0.79 O ATOM 528 CB GLU A 40 1.949 22.035 7.570 1.00 0.82 C ATOM 529 CG GLU A 40 1.438 21.360 8.831 1.00 1.25 C ATOM 530 CD GLU A 40 0.938 22.355 9.862 1.00 1.55 C ATOM 531 OE1 GLU A 40 1.749 22.798 10.700 1.00 2.32 O ATOM 532 OE2 GLU A 40 -0.265 22.685 9.834 1.00 1.91 O ATOM 0 H GLU A 40 -0.169 20.814 7.196 1.00 0.78 H new ATOM 0 HA GLU A 40 0.481 23.516 7.069 1.00 0.79 H new ATOM 0 HB2 GLU A 40 2.554 21.323 7.009 1.00 0.82 H new ATOM 0 HB3 GLU A 40 2.605 22.859 7.851 1.00 0.82 H new ATOM 0 HG2 GLU A 40 0.631 20.675 8.571 1.00 1.25 H new ATOM 0 HG3 GLU A 40 2.237 20.760 9.267 1.00 1.25 H new ATOM 539 N ALA A 41 1.347 21.771 4.436 1.00 0.70 N ATOM 540 CA ALA A 41 1.840 21.823 3.082 1.00 0.71 C ATOM 541 C ALA A 41 0.785 22.423 2.169 1.00 0.78 C ATOM 542 O ALA A 41 1.112 23.132 1.240 1.00 0.87 O ATOM 543 CB ALA A 41 2.230 20.422 2.627 1.00 0.77 C ATOM 0 H ALA A 41 0.963 20.864 4.702 1.00 0.70 H new ATOM 0 HA ALA A 41 2.725 22.458 3.037 1.00 0.71 H new ATOM 0 HB1 ALA A 41 2.602 20.462 1.603 1.00 0.77 H new ATOM 0 HB2 ALA A 41 3.009 20.031 3.281 1.00 0.77 H new ATOM 0 HB3 ALA A 41 1.358 19.769 2.670 1.00 0.77 H new ATOM 549 N LEU A 42 -0.474 22.091 2.428 1.00 0.81 N ATOM 550 CA LEU A 42 -1.573 22.591 1.590 1.00 0.94 C ATOM 551 C LEU A 42 -1.324 24.049 1.183 1.00 1.05 C ATOM 552 O LEU A 42 -1.648 24.465 0.061 1.00 1.23 O ATOM 553 CB LEU A 42 -2.917 22.465 2.295 1.00 0.98 C ATOM 554 CG LEU A 42 -3.785 21.290 1.827 1.00 1.02 C ATOM 555 CD1 LEU A 42 -4.382 20.549 3.014 1.00 1.11 C ATOM 556 CD2 LEU A 42 -4.885 21.774 0.895 1.00 1.16 C ATOM 0 H LEU A 42 -0.764 21.488 3.198 1.00 0.81 H new ATOM 0 HA LEU A 42 -1.605 21.974 0.692 1.00 0.94 H new ATOM 0 HB2 LEU A 42 -2.741 22.364 3.366 1.00 0.98 H new ATOM 0 HB3 LEU A 42 -3.475 23.390 2.150 1.00 0.98 H new ATOM 0 HG LEU A 42 -3.147 20.597 1.279 1.00 1.02 H new ATOM 0 HD11 LEU A 42 -4.993 19.721 2.656 1.00 1.11 H new ATOM 0 HD12 LEU A 42 -3.580 20.163 3.643 1.00 1.11 H new ATOM 0 HD13 LEU A 42 -5.002 21.232 3.595 1.00 1.11 H new ATOM 0 HD21 LEU A 42 -5.490 20.926 0.574 1.00 1.16 H new ATOM 0 HD22 LEU A 42 -5.516 22.492 1.419 1.00 1.16 H new ATOM 0 HD23 LEU A 42 -4.439 22.252 0.023 1.00 1.16 H new ATOM 568 N ARG A 43 -0.680 24.805 2.067 1.00 1.04 N ATOM 569 CA ARG A 43 -0.322 26.181 1.751 1.00 1.23 C ATOM 570 C ARG A 43 0.414 26.187 0.432 1.00 1.24 C ATOM 571 O ARG A 43 0.427 27.185 -0.293 1.00 1.46 O ATOM 572 CB ARG A 43 0.588 26.771 2.831 1.00 1.32 C ATOM 573 CG ARG A 43 0.155 26.453 4.251 1.00 1.34 C ATOM 574 CD ARG A 43 -1.069 27.258 4.653 1.00 1.50 C ATOM 575 NE ARG A 43 -0.757 28.238 5.692 1.00 1.88 N ATOM 576 CZ ARG A 43 -0.563 29.536 5.464 1.00 2.20 C ATOM 577 NH1 ARG A 43 -0.644 30.027 4.232 1.00 2.39 N ATOM 578 NH2 ARG A 43 -0.282 30.348 6.474 1.00 2.92 N ATOM 0 H ARG A 43 -0.399 24.492 2.996 1.00 1.04 H new ATOM 0 HA ARG A 43 -1.229 26.783 1.697 1.00 1.23 H new ATOM 0 HB2 ARG A 43 1.601 26.399 2.680 1.00 1.32 H new ATOM 0 HB3 ARG A 43 0.625 27.853 2.708 1.00 1.32 H new ATOM 0 HG2 ARG A 43 -0.064 25.389 4.336 1.00 1.34 H new ATOM 0 HG3 ARG A 43 0.974 26.666 4.938 1.00 1.34 H new ATOM 0 HD2 ARG A 43 -1.470 27.770 3.779 1.00 1.50 H new ATOM 0 HD3 ARG A 43 -1.846 26.583 5.011 1.00 1.50 H new ATOM 0 HE ARG A 43 -0.683 27.906 6.654 1.00 1.88 H new ATOM 0 HH11 ARG A 43 -0.857 29.408 3.449 1.00 2.39 H new ATOM 0 HH12 ARG A 43 -0.494 31.023 4.069 1.00 2.39 H new ATOM 0 HH21 ARG A 43 -0.215 29.978 7.422 1.00 2.92 H new ATOM 0 HH22 ARG A 43 -0.133 31.342 6.303 1.00 2.92 H new ATOM 592 N CYS A 44 1.090 25.076 0.164 1.00 1.08 N ATOM 593 CA CYS A 44 1.918 24.906 -1.013 1.00 1.15 C ATOM 594 C CYS A 44 1.305 25.389 -2.318 1.00 1.41 C ATOM 595 O CYS A 44 2.037 25.439 -3.317 1.00 1.57 O ATOM 596 CB CYS A 44 2.257 23.412 -1.160 1.00 1.04 C ATOM 597 SG CYS A 44 4.000 23.041 -1.519 1.00 1.28 S ATOM 0 H CYS A 44 1.075 24.257 0.772 1.00 1.08 H new ATOM 0 HA CYS A 44 2.796 25.530 -0.848 1.00 1.15 H new ATOM 0 HB2 CYS A 44 1.976 22.901 -0.239 1.00 1.04 H new ATOM 0 HB3 CYS A 44 1.642 22.994 -1.957 1.00 1.04 H new ATOM 602 N GLN A 45 0.063 25.888 -2.392 1.00 1.55 N ATOM 603 CA GLN A 45 -0.399 26.425 -3.654 1.00 1.86 C ATOM 604 C GLN A 45 -0.015 27.900 -3.684 1.00 2.09 C ATOM 605 O GLN A 45 -0.295 28.640 -4.639 1.00 2.35 O ATOM 606 CB GLN A 45 -1.924 26.280 -3.757 1.00 1.97 C ATOM 607 CG GLN A 45 -2.393 25.458 -4.946 1.00 2.40 C ATOM 608 CD GLN A 45 -3.818 25.789 -5.353 1.00 2.73 C ATOM 609 OE1 GLN A 45 -4.747 25.031 -5.077 1.00 3.31 O ATOM 610 NE2 GLN A 45 -3.996 26.928 -6.013 1.00 3.02 N ATOM 0 H GLN A 45 -0.605 25.926 -1.623 1.00 1.55 H new ATOM 0 HA GLN A 45 0.051 25.890 -4.491 1.00 1.86 H new ATOM 0 HB2 GLN A 45 -2.297 25.820 -2.842 1.00 1.97 H new ATOM 0 HB3 GLN A 45 -2.369 27.273 -3.818 1.00 1.97 H new ATOM 0 HG2 GLN A 45 -1.727 25.633 -5.791 1.00 2.40 H new ATOM 0 HG3 GLN A 45 -2.325 24.398 -4.701 1.00 2.40 H new ATOM 0 HE21 GLN A 45 -3.197 27.527 -6.221 1.00 3.02 H new ATOM 0 HE22 GLN A 45 -4.932 27.204 -6.312 1.00 3.02 H new ATOM 619 N GLU A 46 0.685 28.324 -2.635 1.00 2.07 N ATOM 620 CA GLU A 46 1.122 29.689 -2.549 1.00 2.35 C ATOM 621 C GLU A 46 2.409 29.831 -3.330 1.00 2.34 C ATOM 622 O GLU A 46 3.050 30.871 -3.285 1.00 2.50 O ATOM 623 CB GLU A 46 1.332 30.114 -1.088 1.00 2.41 C ATOM 624 CG GLU A 46 0.982 31.572 -0.822 1.00 2.80 C ATOM 625 CD GLU A 46 1.194 31.977 0.626 1.00 3.19 C ATOM 626 OE1 GLU A 46 2.347 31.903 1.102 1.00 3.53 O ATOM 627 OE2 GLU A 46 0.208 32.371 1.282 1.00 3.69 O ATOM 0 H GLU A 46 0.953 27.737 -1.845 1.00 2.07 H new ATOM 0 HA GLU A 46 0.355 30.340 -2.969 1.00 2.35 H new ATOM 0 HB2 GLU A 46 0.725 29.479 -0.443 1.00 2.41 H new ATOM 0 HB3 GLU A 46 2.373 29.943 -0.814 1.00 2.41 H new ATOM 0 HG2 GLU A 46 1.590 32.209 -1.465 1.00 2.80 H new ATOM 0 HG3 GLU A 46 -0.059 31.746 -1.094 1.00 2.80 H new ATOM 634 N GLU A 47 2.746 28.788 -4.111 1.00 2.22 N ATOM 635 CA GLU A 47 3.916 28.846 -4.960 1.00 2.31 C ATOM 636 C GLU A 47 3.618 29.731 -6.169 1.00 2.34 C ATOM 637 O GLU A 47 4.459 29.899 -7.046 1.00 2.42 O ATOM 638 CB GLU A 47 4.341 27.447 -5.411 1.00 2.37 C ATOM 639 CG GLU A 47 5.738 27.408 -6.008 1.00 2.96 C ATOM 640 CD GLU A 47 5.728 27.209 -7.513 1.00 3.45 C ATOM 641 OE1 GLU A 47 5.690 28.218 -8.244 1.00 3.99 O ATOM 642 OE2 GLU A 47 5.757 26.042 -7.959 1.00 3.68 O ATOM 0 H GLU A 47 2.223 27.913 -4.161 1.00 2.22 H new ATOM 0 HA GLU A 47 4.742 29.273 -4.392 1.00 2.31 H new ATOM 0 HB2 GLU A 47 4.298 26.769 -4.559 1.00 2.37 H new ATOM 0 HB3 GLU A 47 3.628 27.078 -6.148 1.00 2.37 H new ATOM 0 HG2 GLU A 47 6.255 28.338 -5.772 1.00 2.96 H new ATOM 0 HG3 GLU A 47 6.305 26.601 -5.543 1.00 2.96 H new ATOM 649 N ASN A 48 2.416 30.318 -6.196 1.00 2.53 N ATOM 650 CA ASN A 48 2.037 31.206 -7.284 1.00 2.96 C ATOM 651 C ASN A 48 2.230 32.678 -6.892 1.00 3.29 C ATOM 652 O ASN A 48 2.393 33.536 -7.755 1.00 3.76 O ATOM 653 CB ASN A 48 0.587 30.960 -7.705 1.00 3.12 C ATOM 654 CG ASN A 48 0.414 29.650 -8.448 1.00 3.42 C ATOM 655 OD1 ASN A 48 1.146 29.355 -9.395 1.00 3.86 O ATOM 656 ND2 ASN A 48 -0.558 28.853 -8.022 1.00 3.75 N ATOM 0 H ASN A 48 1.700 30.192 -5.481 1.00 2.53 H new ATOM 0 HA ASN A 48 2.689 30.988 -8.130 1.00 2.96 H new ATOM 0 HB2 ASN A 48 -0.050 30.959 -6.820 1.00 3.12 H new ATOM 0 HB3 ASN A 48 0.252 31.781 -8.339 1.00 3.12 H new ATOM 0 HD21 ASN A 48 -0.722 27.958 -8.482 1.00 3.75 H new ATOM 0 HD22 ASN A 48 -1.141 29.136 -7.234 1.00 3.75 H new ATOM 663 N TYR A 49 2.145 32.962 -5.589 1.00 3.15 N ATOM 664 CA TYR A 49 2.254 34.336 -5.068 1.00 3.51 C ATOM 665 C TYR A 49 3.074 34.415 -3.768 1.00 3.62 C ATOM 666 O TYR A 49 2.566 34.893 -2.752 1.00 4.04 O ATOM 667 CB TYR A 49 0.857 34.926 -4.837 1.00 3.61 C ATOM 668 CG TYR A 49 0.870 36.417 -4.589 1.00 3.97 C ATOM 669 CD1 TYR A 49 1.255 37.304 -5.589 1.00 4.52 C ATOM 670 CD2 TYR A 49 0.515 36.938 -3.352 1.00 4.19 C ATOM 671 CE1 TYR A 49 1.283 38.666 -5.361 1.00 5.05 C ATOM 672 CE2 TYR A 49 0.541 38.300 -3.116 1.00 4.70 C ATOM 673 CZ TYR A 49 0.926 39.160 -4.124 1.00 5.03 C ATOM 674 OH TYR A 49 0.955 40.516 -3.893 1.00 5.68 O ATOM 0 H TYR A 49 2.000 32.256 -4.868 1.00 3.15 H new ATOM 0 HA TYR A 49 2.784 34.919 -5.821 1.00 3.51 H new ATOM 0 HB2 TYR A 49 0.233 34.715 -5.705 1.00 3.61 H new ATOM 0 HB3 TYR A 49 0.396 34.427 -3.984 1.00 3.61 H new ATOM 0 HD1 TYR A 49 1.536 36.922 -6.559 1.00 4.52 H new ATOM 0 HD2 TYR A 49 0.213 36.268 -2.561 1.00 4.19 H new ATOM 0 HE1 TYR A 49 1.583 39.341 -6.148 1.00 5.05 H new ATOM 0 HE2 TYR A 49 0.261 38.689 -2.148 1.00 4.70 H new ATOM 0 HH TYR A 49 0.674 40.697 -2.972 1.00 5.68 H new ATOM 684 N LEU A 50 4.320 33.924 -3.773 1.00 3.50 N ATOM 685 CA LEU A 50 5.130 33.934 -2.543 1.00 3.67 C ATOM 686 C LEU A 50 6.435 34.739 -2.682 1.00 3.63 C ATOM 687 O LEU A 50 7.403 34.293 -3.295 1.00 3.79 O ATOM 688 CB LEU A 50 5.476 32.496 -2.134 1.00 4.02 C ATOM 689 CG LEU A 50 5.647 31.487 -3.283 1.00 4.66 C ATOM 690 CD1 LEU A 50 6.793 31.877 -4.201 1.00 4.84 C ATOM 691 CD2 LEU A 50 5.869 30.087 -2.724 1.00 5.40 C ATOM 0 H LEU A 50 4.782 33.524 -4.590 1.00 3.50 H new ATOM 0 HA LEU A 50 4.524 34.422 -1.780 1.00 3.67 H new ATOM 0 HB2 LEU A 50 6.400 32.517 -1.556 1.00 4.02 H new ATOM 0 HB3 LEU A 50 4.693 32.130 -1.470 1.00 4.02 H new ATOM 0 HG LEU A 50 4.731 31.494 -3.874 1.00 4.66 H new ATOM 0 HD11 LEU A 50 6.885 31.142 -5.001 1.00 4.84 H new ATOM 0 HD12 LEU A 50 6.597 32.859 -4.631 1.00 4.84 H new ATOM 0 HD13 LEU A 50 7.721 31.910 -3.630 1.00 4.84 H new ATOM 0 HD21 LEU A 50 5.989 29.382 -3.546 1.00 5.40 H new ATOM 0 HD22 LEU A 50 6.767 30.080 -2.106 1.00 5.40 H new ATOM 0 HD23 LEU A 50 5.010 29.796 -2.119 1.00 5.40 H new ATOM 703 N PRO A 51 6.464 35.962 -2.101 1.00 3.88 N ATOM 704 CA PRO A 51 7.612 36.860 -2.138 1.00 4.25 C ATOM 705 C PRO A 51 8.444 36.864 -0.845 1.00 4.32 C ATOM 706 O PRO A 51 8.728 37.928 -0.295 1.00 4.70 O ATOM 707 CB PRO A 51 6.920 38.208 -2.314 1.00 4.88 C ATOM 708 CG PRO A 51 5.627 38.080 -1.559 1.00 4.92 C ATOM 709 CD PRO A 51 5.361 36.598 -1.368 1.00 4.30 C ATOM 0 HA PRO A 51 8.331 36.582 -2.909 1.00 4.25 H new ATOM 0 HB2 PRO A 51 7.530 39.020 -1.918 1.00 4.88 H new ATOM 0 HB3 PRO A 51 6.743 38.427 -3.367 1.00 4.88 H new ATOM 0 HG2 PRO A 51 5.693 38.586 -0.596 1.00 4.92 H new ATOM 0 HG3 PRO A 51 4.812 38.549 -2.110 1.00 4.92 H new ATOM 0 HD2 PRO A 51 5.365 36.321 -0.314 1.00 4.30 H new ATOM 0 HD3 PRO A 51 4.390 36.308 -1.770 1.00 4.30 H new ATOM 717 N SER A 52 8.834 35.682 -0.357 1.00 4.18 N ATOM 718 CA SER A 52 9.635 35.591 0.873 1.00 4.35 C ATOM 719 C SER A 52 10.996 34.906 0.623 1.00 3.79 C ATOM 720 O SER A 52 11.391 34.025 1.377 1.00 3.48 O ATOM 721 CB SER A 52 8.853 34.827 1.950 1.00 4.83 C ATOM 722 OG SER A 52 9.398 35.056 3.240 1.00 5.64 O ATOM 0 H SER A 52 8.613 34.784 -0.787 1.00 4.18 H new ATOM 0 HA SER A 52 9.834 36.606 1.215 1.00 4.35 H new ATOM 0 HB2 SER A 52 7.808 35.137 1.933 1.00 4.83 H new ATOM 0 HB3 SER A 52 8.872 33.760 1.729 1.00 4.83 H new ATOM 0 HG SER A 52 10.348 34.815 3.241 1.00 5.64 H new ATOM 728 N PRO A 53 11.713 35.298 -0.457 1.00 3.98 N ATOM 729 CA PRO A 53 13.028 34.714 -0.844 1.00 3.75 C ATOM 730 C PRO A 53 14.110 34.678 0.255 1.00 2.89 C ATOM 731 O PRO A 53 13.973 35.337 1.280 1.00 2.99 O ATOM 732 CB PRO A 53 13.487 35.607 -2.011 1.00 4.57 C ATOM 733 CG PRO A 53 12.575 36.791 -2.004 1.00 5.04 C ATOM 734 CD PRO A 53 11.286 36.325 -1.415 1.00 4.80 C ATOM 0 HA PRO A 53 12.898 33.658 -1.082 1.00 3.75 H new ATOM 0 HB2 PRO A 53 14.525 35.913 -1.884 1.00 4.57 H new ATOM 0 HB3 PRO A 53 13.426 35.073 -2.959 1.00 4.57 H new ATOM 0 HG2 PRO A 53 12.999 37.605 -1.416 1.00 5.04 H new ATOM 0 HG3 PRO A 53 12.425 37.172 -3.014 1.00 5.04 H new ATOM 0 HD2 PRO A 53 10.750 37.137 -0.924 1.00 4.80 H new ATOM 0 HD3 PRO A 53 10.620 35.916 -2.175 1.00 4.80 H new ATOM 742 N CYS A 54 15.214 33.905 -0.001 1.00 2.53 N ATOM 743 CA CYS A 54 16.363 33.781 0.930 1.00 2.00 C ATOM 744 C CYS A 54 17.182 32.457 0.796 1.00 2.22 C ATOM 745 O CYS A 54 17.117 31.625 1.696 1.00 2.72 O ATOM 746 CB CYS A 54 15.888 33.896 2.384 1.00 2.36 C ATOM 747 SG CYS A 54 14.410 32.897 2.803 1.00 2.74 S ATOM 0 H CYS A 54 15.322 33.358 -0.855 1.00 2.53 H new ATOM 0 HA CYS A 54 17.028 34.599 0.651 1.00 2.00 H new ATOM 0 HB2 CYS A 54 16.706 33.599 3.041 1.00 2.36 H new ATOM 0 HB3 CYS A 54 15.672 34.943 2.597 1.00 2.36 H new ATOM 752 N GLN A 55 17.991 32.252 -0.272 1.00 2.24 N ATOM 753 CA GLN A 55 18.799 31.016 -0.372 1.00 2.74 C ATOM 754 C GLN A 55 17.958 29.749 -0.159 1.00 2.26 C ATOM 755 O GLN A 55 16.735 29.823 -0.040 1.00 2.47 O ATOM 756 CB GLN A 55 19.931 31.040 0.656 1.00 3.51 C ATOM 757 CG GLN A 55 21.237 30.471 0.129 1.00 4.44 C ATOM 758 CD GLN A 55 22.064 29.805 1.215 1.00 5.23 C ATOM 759 OE1 GLN A 55 22.033 28.586 1.375 1.00 5.71 O ATOM 760 NE2 GLN A 55 22.803 30.609 1.971 1.00 5.75 N ATOM 0 H GLN A 55 18.099 32.902 -1.050 1.00 2.24 H new ATOM 0 HA GLN A 55 19.206 30.986 -1.383 1.00 2.74 H new ATOM 0 HB2 GLN A 55 20.096 32.068 0.980 1.00 3.51 H new ATOM 0 HB3 GLN A 55 19.625 30.473 1.536 1.00 3.51 H new ATOM 0 HG2 GLN A 55 21.023 29.745 -0.656 1.00 4.44 H new ATOM 0 HG3 GLN A 55 21.820 31.271 -0.327 1.00 4.44 H new ATOM 0 HE21 GLN A 55 22.798 31.615 1.802 1.00 5.75 H new ATOM 0 HE22 GLN A 55 23.376 30.221 2.720 1.00 5.75 H new ATOM 769 N SER A 56 18.633 28.584 -0.106 1.00 2.28 N ATOM 770 CA SER A 56 17.950 27.299 0.091 1.00 2.07 C ATOM 771 C SER A 56 18.952 26.132 0.339 1.00 1.82 C ATOM 772 O SER A 56 19.945 26.293 1.042 1.00 2.22 O ATOM 773 CB SER A 56 17.065 27.018 -1.135 1.00 2.60 C ATOM 774 OG SER A 56 16.058 27.998 -1.242 1.00 3.12 O ATOM 0 H SER A 56 19.646 28.511 -0.197 1.00 2.28 H new ATOM 0 HA SER A 56 17.332 27.365 0.987 1.00 2.07 H new ATOM 0 HB2 SER A 56 17.674 27.012 -2.039 1.00 2.60 H new ATOM 0 HB3 SER A 56 16.613 26.030 -1.048 1.00 2.60 H new ATOM 0 HG SER A 56 16.015 28.515 -0.411 1.00 3.12 H new ATOM 780 N GLY A 57 18.581 24.951 -0.169 1.00 1.58 N ATOM 781 CA GLY A 57 19.354 23.754 0.026 1.00 1.86 C ATOM 782 C GLY A 57 19.537 22.995 -1.243 1.00 1.68 C ATOM 783 O GLY A 57 18.562 22.603 -1.869 1.00 2.10 O ATOM 0 H GLY A 57 17.736 24.815 -0.723 1.00 1.58 H new ATOM 0 HA2 GLY A 57 20.330 24.015 0.436 1.00 1.86 H new ATOM 0 HA3 GLY A 57 18.859 23.118 0.760 1.00 1.86 H new ATOM 787 N GLN A 58 20.777 22.751 -1.618 1.00 1.37 N ATOM 788 CA GLN A 58 21.036 21.995 -2.815 1.00 1.46 C ATOM 789 C GLN A 58 21.621 20.663 -2.433 1.00 1.08 C ATOM 790 O GLN A 58 22.816 20.415 -2.569 1.00 1.00 O ATOM 791 CB GLN A 58 21.975 22.749 -3.745 1.00 1.97 C ATOM 792 CG GLN A 58 23.232 23.236 -3.056 1.00 2.80 C ATOM 793 CD GLN A 58 24.389 23.399 -4.014 1.00 3.61 C ATOM 794 OE1 GLN A 58 24.654 22.526 -4.841 1.00 3.96 O ATOM 795 NE2 GLN A 58 25.086 24.522 -3.907 1.00 4.36 N ATOM 0 H GLN A 58 21.608 23.063 -1.115 1.00 1.37 H new ATOM 0 HA GLN A 58 20.100 21.842 -3.352 1.00 1.46 H new ATOM 0 HB2 GLN A 58 22.252 22.100 -4.576 1.00 1.97 H new ATOM 0 HB3 GLN A 58 21.447 23.603 -4.170 1.00 1.97 H new ATOM 0 HG2 GLN A 58 23.030 24.190 -2.570 1.00 2.80 H new ATOM 0 HG3 GLN A 58 23.510 22.531 -2.272 1.00 2.80 H new ATOM 0 HE21 GLN A 58 24.829 25.217 -3.206 1.00 4.36 H new ATOM 0 HE22 GLN A 58 25.879 24.691 -4.526 1.00 4.36 H new ATOM 804 N LYS A 59 20.746 19.788 -2.017 1.00 1.17 N ATOM 805 CA LYS A 59 21.170 18.441 -1.604 1.00 1.13 C ATOM 806 C LYS A 59 20.179 17.447 -2.149 1.00 0.95 C ATOM 807 O LYS A 59 19.383 16.845 -1.442 1.00 0.88 O ATOM 808 CB LYS A 59 21.189 18.324 -0.065 1.00 1.54 C ATOM 809 CG LYS A 59 22.266 17.401 0.487 1.00 1.90 C ATOM 810 CD LYS A 59 23.610 18.104 0.569 1.00 2.17 C ATOM 811 CE LYS A 59 24.676 17.357 -0.216 1.00 2.82 C ATOM 812 NZ LYS A 59 24.975 18.015 -1.518 1.00 3.55 N ATOM 0 H LYS A 59 19.743 19.962 -1.949 1.00 1.17 H new ATOM 0 HA LYS A 59 22.173 18.248 -1.985 1.00 1.13 H new ATOM 0 HB2 LYS A 59 21.328 19.318 0.360 1.00 1.54 H new ATOM 0 HB3 LYS A 59 20.216 17.967 0.271 1.00 1.54 H new ATOM 0 HG2 LYS A 59 21.975 17.052 1.478 1.00 1.90 H new ATOM 0 HG3 LYS A 59 22.353 16.520 -0.149 1.00 1.90 H new ATOM 0 HD2 LYS A 59 23.516 19.119 0.182 1.00 2.17 H new ATOM 0 HD3 LYS A 59 23.916 18.187 1.612 1.00 2.17 H new ATOM 0 HE2 LYS A 59 25.588 17.297 0.378 1.00 2.82 H new ATOM 0 HE3 LYS A 59 24.344 16.334 -0.395 1.00 2.82 H new ATOM 0 HZ1 LYS A 59 25.912 17.713 -1.853 1.00 3.55 H new ATOM 0 HZ2 LYS A 59 24.254 17.745 -2.217 1.00 3.55 H new ATOM 0 HZ3 LYS A 59 24.968 19.048 -1.395 1.00 3.55 H new ATOM 826 N PRO A 60 20.217 17.323 -3.493 1.00 1.06 N ATOM 827 CA PRO A 60 19.332 16.447 -4.246 1.00 1.15 C ATOM 828 C PRO A 60 19.350 14.981 -3.818 1.00 1.10 C ATOM 829 O PRO A 60 20.036 14.140 -4.401 1.00 1.23 O ATOM 830 CB PRO A 60 19.805 16.591 -5.702 1.00 1.48 C ATOM 831 CG PRO A 60 21.158 17.211 -5.610 1.00 1.54 C ATOM 832 CD PRO A 60 21.104 18.083 -4.392 1.00 1.30 C ATOM 0 HA PRO A 60 18.296 16.742 -4.079 1.00 1.15 H new ATOM 0 HB2 PRO A 60 19.848 15.623 -6.200 1.00 1.48 H new ATOM 0 HB3 PRO A 60 19.123 17.216 -6.278 1.00 1.48 H new ATOM 0 HG2 PRO A 60 21.934 16.452 -5.517 1.00 1.54 H new ATOM 0 HG3 PRO A 60 21.387 17.794 -6.502 1.00 1.54 H new ATOM 0 HD2 PRO A 60 22.092 18.232 -3.956 1.00 1.30 H new ATOM 0 HD3 PRO A 60 20.703 19.071 -4.618 1.00 1.30 H new ATOM 840 N CYS A 61 18.514 14.703 -2.832 1.00 1.08 N ATOM 841 CA CYS A 61 18.292 13.366 -2.303 1.00 1.13 C ATOM 842 C CYS A 61 17.048 12.814 -2.990 1.00 1.36 C ATOM 843 O CYS A 61 16.450 13.500 -3.820 1.00 1.54 O ATOM 844 CB CYS A 61 18.115 13.353 -0.781 1.00 1.30 C ATOM 845 SG CYS A 61 19.037 14.650 0.107 1.00 1.59 S ATOM 0 H CYS A 61 17.956 15.418 -2.365 1.00 1.08 H new ATOM 0 HA CYS A 61 19.168 12.749 -2.504 1.00 1.13 H new ATOM 0 HB2 CYS A 61 17.055 13.459 -0.552 1.00 1.30 H new ATOM 0 HB3 CYS A 61 18.427 12.380 -0.401 1.00 1.30 H new ATOM 850 N GLY A 62 16.585 11.650 -2.567 1.00 1.60 N ATOM 851 CA GLY A 62 15.344 11.121 -3.116 1.00 1.92 C ATOM 852 C GLY A 62 15.233 11.224 -4.638 1.00 2.10 C ATOM 853 O GLY A 62 16.210 11.482 -5.340 1.00 2.43 O ATOM 0 H GLY A 62 17.035 11.064 -1.863 1.00 1.60 H new ATOM 0 HA2 GLY A 62 15.250 10.074 -2.827 1.00 1.92 H new ATOM 0 HA3 GLY A 62 14.506 11.653 -2.666 1.00 1.92 H new ATOM 857 N SER A 63 14.018 11.001 -5.124 1.00 2.43 N ATOM 858 CA SER A 63 13.677 11.039 -6.548 1.00 2.98 C ATOM 859 C SER A 63 13.387 12.471 -7.012 1.00 2.74 C ATOM 860 O SER A 63 12.323 12.797 -7.533 1.00 3.32 O ATOM 861 CB SER A 63 12.474 10.138 -6.844 1.00 3.86 C ATOM 862 OG SER A 63 12.380 9.849 -8.230 1.00 4.11 O ATOM 0 H SER A 63 13.220 10.783 -4.527 1.00 2.43 H new ATOM 0 HA SER A 63 14.539 10.667 -7.102 1.00 2.98 H new ATOM 0 HB2 SER A 63 12.565 9.209 -6.281 1.00 3.86 H new ATOM 0 HB3 SER A 63 11.559 10.626 -6.508 1.00 3.86 H new ATOM 0 HG SER A 63 11.605 9.271 -8.392 1.00 4.11 H new ATOM 868 N GLY A 64 14.440 13.284 -6.860 1.00 2.15 N ATOM 869 CA GLY A 64 14.464 14.667 -7.284 1.00 2.11 C ATOM 870 C GLY A 64 14.468 15.717 -6.168 1.00 1.92 C ATOM 871 O GLY A 64 14.327 16.901 -6.472 1.00 2.21 O ATOM 0 H GLY A 64 15.313 12.980 -6.428 1.00 2.15 H new ATOM 0 HA2 GLY A 64 15.349 14.821 -7.902 1.00 2.11 H new ATOM 0 HA3 GLY A 64 13.596 14.846 -7.919 1.00 2.11 H new ATOM 875 N GLY A 65 14.528 15.339 -4.896 1.00 1.62 N ATOM 876 CA GLY A 65 14.436 16.383 -3.886 1.00 1.62 C ATOM 877 C GLY A 65 15.742 16.811 -3.254 1.00 1.43 C ATOM 878 O GLY A 65 16.630 16.003 -3.011 1.00 1.62 O ATOM 0 H GLY A 65 14.633 14.383 -4.555 1.00 1.62 H new ATOM 0 HA2 GLY A 65 13.970 17.258 -4.338 1.00 1.62 H new ATOM 0 HA3 GLY A 65 13.768 16.039 -3.096 1.00 1.62 H new ATOM 882 N ARG A 66 15.830 18.117 -2.993 1.00 1.17 N ATOM 883 CA ARG A 66 17.000 18.727 -2.371 1.00 1.03 C ATOM 884 C ARG A 66 16.765 18.908 -0.874 1.00 0.94 C ATOM 885 O ARG A 66 15.620 18.985 -0.437 1.00 1.04 O ATOM 886 CB ARG A 66 17.378 20.060 -3.024 1.00 1.10 C ATOM 887 CG ARG A 66 16.191 20.866 -3.527 1.00 1.26 C ATOM 888 CD ARG A 66 15.774 20.430 -4.919 1.00 1.41 C ATOM 889 NE ARG A 66 16.681 20.942 -5.941 1.00 1.78 N ATOM 890 CZ ARG A 66 16.451 20.856 -7.246 1.00 2.30 C ATOM 891 NH1 ARG A 66 15.343 20.278 -7.695 1.00 2.55 N ATOM 892 NH2 ARG A 66 17.331 21.349 -8.106 1.00 3.02 N ATOM 0 H ARG A 66 15.087 18.781 -3.209 1.00 1.17 H new ATOM 0 HA ARG A 66 17.841 18.050 -2.523 1.00 1.03 H new ATOM 0 HB2 ARG A 66 17.932 20.661 -2.303 1.00 1.10 H new ATOM 0 HB3 ARG A 66 18.051 19.865 -3.859 1.00 1.10 H new ATOM 0 HG2 ARG A 66 15.352 20.748 -2.841 1.00 1.26 H new ATOM 0 HG3 ARG A 66 16.447 21.925 -3.538 1.00 1.26 H new ATOM 0 HD2 ARG A 66 15.750 19.341 -4.967 1.00 1.41 H new ATOM 0 HD3 ARG A 66 14.762 20.781 -5.122 1.00 1.41 H new ATOM 0 HE ARG A 66 17.543 21.393 -5.635 1.00 1.78 H new ATOM 0 HH11 ARG A 66 14.663 19.897 -7.036 1.00 2.55 H new ATOM 0 HH12 ARG A 66 15.171 20.215 -8.698 1.00 2.55 H new ATOM 0 HH21 ARG A 66 18.183 21.794 -7.765 1.00 3.02 H new ATOM 0 HH22 ARG A 66 17.156 21.284 -9.109 1.00 3.02 H new ATOM 906 N CYS A 67 17.838 18.938 -0.077 1.00 0.87 N ATOM 907 CA CYS A 67 17.715 19.072 1.358 1.00 0.87 C ATOM 908 C CYS A 67 16.721 20.138 1.736 1.00 0.88 C ATOM 909 O CYS A 67 16.985 21.332 1.605 1.00 0.93 O ATOM 910 CB CYS A 67 19.050 19.427 1.999 1.00 0.93 C ATOM 911 SG CYS A 67 19.190 18.915 3.731 1.00 1.52 S ATOM 0 H CYS A 67 18.799 18.870 -0.413 1.00 0.87 H new ATOM 0 HA CYS A 67 17.371 18.104 1.723 1.00 0.87 H new ATOM 0 HB2 CYS A 67 19.852 18.962 1.426 1.00 0.93 H new ATOM 0 HB3 CYS A 67 19.197 20.505 1.936 1.00 0.93 H new ATOM 916 N ALA A 68 15.600 19.705 2.261 1.00 0.91 N ATOM 917 CA ALA A 68 14.596 20.631 2.707 1.00 0.98 C ATOM 918 C ALA A 68 14.711 20.760 4.224 1.00 0.98 C ATOM 919 O ALA A 68 14.181 21.685 4.839 1.00 1.07 O ATOM 920 CB ALA A 68 13.220 20.204 2.220 1.00 0.98 C ATOM 0 H ALA A 68 15.364 18.721 2.388 1.00 0.91 H new ATOM 0 HA ALA A 68 14.750 21.622 2.279 1.00 0.98 H new ATOM 0 HB1 ALA A 68 12.473 20.918 2.568 1.00 0.98 H new ATOM 0 HB2 ALA A 68 13.213 20.174 1.130 1.00 0.98 H new ATOM 0 HB3 ALA A 68 12.986 19.214 2.612 1.00 0.98 H new ATOM 926 N ALA A 69 15.434 19.801 4.809 1.00 0.92 N ATOM 927 CA ALA A 69 15.668 19.760 6.263 1.00 0.96 C ATOM 928 C ALA A 69 16.753 18.739 6.612 1.00 0.92 C ATOM 929 O ALA A 69 17.079 17.870 5.804 1.00 0.87 O ATOM 930 CB ALA A 69 14.394 19.444 7.022 1.00 1.00 C ATOM 0 H ALA A 69 15.872 19.035 4.297 1.00 0.92 H new ATOM 0 HA ALA A 69 16.007 20.751 6.565 1.00 0.96 H new ATOM 0 HB1 ALA A 69 14.604 19.422 8.091 1.00 1.00 H new ATOM 0 HB2 ALA A 69 13.647 20.210 6.814 1.00 1.00 H new ATOM 0 HB3 ALA A 69 14.014 18.472 6.706 1.00 1.00 H new ATOM 936 N ALA A 70 17.318 18.850 7.813 1.00 0.98 N ATOM 937 CA ALA A 70 18.376 17.933 8.245 1.00 1.00 C ATOM 938 C ALA A 70 17.851 16.549 8.576 1.00 1.04 C ATOM 939 O ALA A 70 17.745 16.164 9.740 1.00 1.24 O ATOM 940 CB ALA A 70 19.148 18.480 9.430 1.00 1.15 C ATOM 0 H ALA A 70 17.065 19.559 8.501 1.00 0.98 H new ATOM 0 HA ALA A 70 19.051 17.844 7.394 1.00 1.00 H new ATOM 0 HB1 ALA A 70 19.923 17.770 9.719 1.00 1.15 H new ATOM 0 HB2 ALA A 70 19.609 19.429 9.157 1.00 1.15 H new ATOM 0 HB3 ALA A 70 18.468 18.635 10.267 1.00 1.15 H new ATOM 946 N GLY A 71 17.536 15.812 7.536 1.00 1.15 N ATOM 947 CA GLY A 71 17.034 14.475 7.691 1.00 1.27 C ATOM 948 C GLY A 71 16.373 13.950 6.449 1.00 1.21 C ATOM 949 O GLY A 71 16.644 12.835 6.016 1.00 1.28 O ATOM 0 H GLY A 71 17.621 16.123 6.568 1.00 1.15 H new ATOM 0 HA2 GLY A 71 17.856 13.814 7.966 1.00 1.27 H new ATOM 0 HA3 GLY A 71 16.319 14.454 8.513 1.00 1.27 H new ATOM 953 N ILE A 72 15.443 14.728 5.916 1.00 1.12 N ATOM 954 CA ILE A 72 14.639 14.341 4.761 1.00 1.08 C ATOM 955 C ILE A 72 14.719 15.412 3.659 1.00 1.03 C ATOM 956 O ILE A 72 14.747 16.635 3.905 1.00 1.36 O ATOM 957 CB ILE A 72 13.168 14.106 5.210 1.00 1.52 C ATOM 958 CG1 ILE A 72 12.934 14.697 6.605 1.00 1.09 C ATOM 959 CG2 ILE A 72 12.840 12.621 5.209 1.00 2.27 C ATOM 960 CD1 ILE A 72 13.038 16.184 6.575 1.00 0.92 C ATOM 0 H ILE A 72 15.221 15.656 6.275 1.00 1.12 H new ATOM 0 HA ILE A 72 15.031 13.413 4.344 1.00 1.08 H new ATOM 0 HB ILE A 72 12.509 14.608 4.501 1.00 1.52 H new ATOM 0 HG12 ILE A 72 11.949 14.404 6.968 1.00 1.09 H new ATOM 0 HG13 ILE A 72 13.665 14.291 7.304 1.00 1.09 H new ATOM 0 HG21 ILE A 72 11.807 12.476 5.526 1.00 2.27 H new ATOM 0 HG22 ILE A 72 12.971 12.220 4.204 1.00 2.27 H new ATOM 0 HG23 ILE A 72 13.507 12.101 5.897 1.00 2.27 H new ATOM 0 HD11 ILE A 72 12.868 16.581 7.576 1.00 0.92 H new ATOM 0 HD12 ILE A 72 14.032 16.472 6.234 1.00 0.92 H new ATOM 0 HD13 ILE A 72 12.289 16.587 5.893 1.00 0.92 H new ATOM 972 N CYS A 73 14.794 14.941 2.434 1.00 0.82 N ATOM 973 CA CYS A 73 14.892 15.819 1.287 1.00 1.07 C ATOM 974 C CYS A 73 13.632 15.739 0.458 1.00 1.08 C ATOM 975 O CYS A 73 13.305 14.687 -0.099 1.00 1.21 O ATOM 976 CB CYS A 73 16.114 15.503 0.439 1.00 1.19 C ATOM 977 SG CYS A 73 17.674 15.470 1.376 1.00 1.98 S ATOM 0 H CYS A 73 14.789 13.947 2.205 1.00 0.82 H new ATOM 0 HA CYS A 73 15.007 16.838 1.656 1.00 1.07 H new ATOM 0 HB2 CYS A 73 15.970 14.535 -0.042 1.00 1.19 H new ATOM 0 HB3 CYS A 73 16.194 16.245 -0.355 1.00 1.19 H new ATOM 982 N CYS A 74 12.896 16.837 0.430 1.00 0.98 N ATOM 983 CA CYS A 74 11.653 16.896 -0.302 1.00 0.99 C ATOM 984 C CYS A 74 11.903 17.083 -1.794 1.00 1.15 C ATOM 985 O CYS A 74 12.849 17.756 -2.211 1.00 1.33 O ATOM 986 CB CYS A 74 10.779 18.005 0.256 1.00 1.13 C ATOM 987 SG CYS A 74 10.054 17.599 1.880 1.00 1.32 S ATOM 0 H CYS A 74 13.144 17.702 0.910 1.00 0.98 H new ATOM 0 HA CYS A 74 11.129 15.948 -0.180 1.00 0.99 H new ATOM 0 HB2 CYS A 74 11.372 18.915 0.347 1.00 1.13 H new ATOM 0 HB3 CYS A 74 9.976 18.217 -0.450 1.00 1.13 H new ATOM 992 N SER A 75 11.046 16.443 -2.575 1.00 1.14 N ATOM 993 CA SER A 75 11.111 16.460 -4.028 1.00 1.36 C ATOM 994 C SER A 75 9.705 16.646 -4.578 1.00 1.28 C ATOM 995 O SER A 75 8.752 16.708 -3.803 1.00 1.10 O ATOM 996 CB SER A 75 11.668 15.118 -4.501 1.00 1.46 C ATOM 997 OG SER A 75 10.752 14.081 -4.218 1.00 1.99 O ATOM 0 H SER A 75 10.272 15.888 -2.210 1.00 1.14 H new ATOM 0 HA SER A 75 11.750 17.272 -4.375 1.00 1.36 H new ATOM 0 HB2 SER A 75 11.866 15.156 -5.572 1.00 1.46 H new ATOM 0 HB3 SER A 75 12.619 14.917 -4.008 1.00 1.46 H new ATOM 0 HG SER A 75 11.119 13.227 -4.527 1.00 1.99 H new ATOM 1003 N PRO A 76 9.515 16.694 -5.908 1.00 1.46 N ATOM 1004 CA PRO A 76 8.177 16.821 -6.458 1.00 1.42 C ATOM 1005 C PRO A 76 7.452 15.478 -6.373 1.00 1.18 C ATOM 1006 O PRO A 76 6.598 15.159 -7.200 1.00 1.22 O ATOM 1007 CB PRO A 76 8.426 17.225 -7.913 1.00 1.74 C ATOM 1008 CG PRO A 76 9.757 16.641 -8.249 1.00 1.86 C ATOM 1009 CD PRO A 76 10.546 16.591 -6.962 1.00 1.77 C ATOM 0 HA PRO A 76 7.552 17.540 -5.929 1.00 1.42 H new ATOM 0 HB2 PRO A 76 7.647 16.838 -8.570 1.00 1.74 H new ATOM 0 HB3 PRO A 76 8.430 18.309 -8.027 1.00 1.74 H new ATOM 0 HG2 PRO A 76 9.646 15.643 -8.674 1.00 1.86 H new ATOM 0 HG3 PRO A 76 10.270 17.249 -8.994 1.00 1.86 H new ATOM 0 HD2 PRO A 76 11.113 15.664 -6.877 1.00 1.77 H new ATOM 0 HD3 PRO A 76 11.263 17.410 -6.901 1.00 1.77 H new ATOM 1017 N ASP A 77 7.822 14.693 -5.348 1.00 0.99 N ATOM 1018 CA ASP A 77 7.243 13.379 -5.114 1.00 0.91 C ATOM 1019 C ASP A 77 7.109 13.091 -3.609 1.00 0.82 C ATOM 1020 O ASP A 77 6.054 12.637 -3.160 1.00 0.90 O ATOM 1021 CB ASP A 77 8.102 12.308 -5.785 1.00 1.16 C ATOM 1022 CG ASP A 77 7.978 12.348 -7.295 1.00 1.92 C ATOM 1023 OD1 ASP A 77 8.493 13.308 -7.907 1.00 2.50 O ATOM 1024 OD2 ASP A 77 7.360 11.426 -7.866 1.00 2.65 O ATOM 0 H ASP A 77 8.531 14.960 -4.665 1.00 0.99 H new ATOM 0 HA ASP A 77 6.243 13.362 -5.548 1.00 0.91 H new ATOM 0 HB2 ASP A 77 9.145 12.450 -5.503 1.00 1.16 H new ATOM 0 HB3 ASP A 77 7.804 11.324 -5.422 1.00 1.16 H new ATOM 1029 N GLY A 78 8.168 13.357 -2.832 1.00 0.88 N ATOM 1030 CA GLY A 78 8.092 13.114 -1.404 1.00 0.87 C ATOM 1031 C GLY A 78 9.258 13.657 -0.588 1.00 0.86 C ATOM 1032 O GLY A 78 9.939 14.595 -0.995 1.00 0.99 O ATOM 0 H GLY A 78 9.058 13.729 -3.164 1.00 0.88 H new ATOM 0 HA2 GLY A 78 7.169 13.554 -1.026 1.00 0.87 H new ATOM 0 HA3 GLY A 78 8.024 12.039 -1.238 1.00 0.87 H new ATOM 1036 N CYS A 79 9.470 13.042 0.583 1.00 0.79 N ATOM 1037 CA CYS A 79 10.546 13.415 1.501 1.00 0.80 C ATOM 1038 C CYS A 79 11.128 12.106 2.107 1.00 0.78 C ATOM 1039 O CYS A 79 10.425 11.138 2.401 1.00 0.89 O ATOM 1040 CB CYS A 79 10.063 14.489 2.486 1.00 0.94 C ATOM 1041 SG CYS A 79 9.109 15.818 1.619 1.00 1.34 S ATOM 0 H CYS A 79 8.896 12.269 0.919 1.00 0.79 H new ATOM 0 HA CYS A 79 11.382 13.906 1.002 1.00 0.80 H new ATOM 0 HB2 CYS A 79 9.437 14.029 3.251 1.00 0.94 H new ATOM 0 HB3 CYS A 79 10.920 14.928 2.997 1.00 0.94 H new ATOM 1046 N HIS A 80 12.473 12.045 2.005 1.00 0.71 N ATOM 1047 CA HIS A 80 13.188 10.807 2.279 1.00 0.76 C ATOM 1048 C HIS A 80 14.523 11.047 2.940 1.00 0.70 C ATOM 1049 O HIS A 80 15.314 11.887 2.509 1.00 0.67 O ATOM 1050 CB HIS A 80 13.346 9.979 1.005 1.00 0.87 C ATOM 1051 CG HIS A 80 12.457 8.765 0.967 1.00 0.99 C ATOM 1052 ND1 HIS A 80 11.084 8.833 1.065 1.00 1.64 N ATOM 1053 CD2 HIS A 80 12.754 7.448 0.833 1.00 1.76 C ATOM 1054 CE1 HIS A 80 10.575 7.616 0.994 1.00 2.09 C ATOM 1055 NE2 HIS A 80 11.566 6.755 0.852 1.00 2.17 N ATOM 0 H HIS A 80 13.066 12.831 1.739 1.00 0.71 H new ATOM 0 HA HIS A 80 12.585 10.240 2.988 1.00 0.76 H new ATOM 0 HB2 HIS A 80 13.127 10.608 0.142 1.00 0.87 H new ATOM 0 HB3 HIS A 80 14.385 9.662 0.913 1.00 0.87 H new ATOM 0 HD1 HIS A 80 10.544 9.691 1.175 1.00 1.64 H new ATOM 0 HD2 HIS A 80 13.741 7.022 0.730 1.00 1.76 H new ATOM 0 HE1 HIS A 80 9.525 7.367 1.044 1.00 2.09 H new ATOM 1064 N GLU A 81 14.746 10.281 4.005 1.00 0.75 N ATOM 1065 CA GLU A 81 15.960 10.359 4.783 1.00 0.77 C ATOM 1066 C GLU A 81 17.160 10.355 3.868 1.00 0.72 C ATOM 1067 O GLU A 81 17.170 9.682 2.838 1.00 0.92 O ATOM 1068 CB GLU A 81 16.039 9.169 5.735 1.00 0.94 C ATOM 1069 CG GLU A 81 16.110 7.836 5.008 1.00 1.70 C ATOM 1070 CD GLU A 81 17.247 6.964 5.499 1.00 2.35 C ATOM 1071 OE1 GLU A 81 18.414 7.281 5.183 1.00 3.05 O ATOM 1072 OE2 GLU A 81 16.974 5.964 6.196 1.00 2.71 O ATOM 0 H GLU A 81 14.080 9.588 4.347 1.00 0.75 H new ATOM 0 HA GLU A 81 15.953 11.284 5.359 1.00 0.77 H new ATOM 0 HB2 GLU A 81 16.917 9.277 6.372 1.00 0.94 H new ATOM 0 HB3 GLU A 81 15.167 9.175 6.389 1.00 0.94 H new ATOM 0 HG2 GLU A 81 15.167 7.305 5.138 1.00 1.70 H new ATOM 0 HG3 GLU A 81 16.230 8.015 3.940 1.00 1.70 H new ATOM 1079 N ASP A 82 18.152 11.129 4.229 1.00 0.76 N ATOM 1080 CA ASP A 82 19.347 11.232 3.426 1.00 0.77 C ATOM 1081 C ASP A 82 20.570 11.413 4.337 1.00 0.96 C ATOM 1082 O ASP A 82 20.504 12.140 5.328 1.00 1.21 O ATOM 1083 CB ASP A 82 19.168 12.391 2.448 1.00 0.86 C ATOM 1084 CG ASP A 82 19.372 13.725 3.120 1.00 1.34 C ATOM 1085 OD1 ASP A 82 18.485 14.127 3.897 1.00 1.82 O ATOM 1086 OD2 ASP A 82 20.413 14.363 2.868 1.00 2.02 O ATOM 0 H ASP A 82 18.157 11.699 5.075 1.00 0.76 H new ATOM 0 HA ASP A 82 19.515 10.322 2.851 1.00 0.77 H new ATOM 0 HB2 ASP A 82 19.876 12.286 1.626 1.00 0.86 H new ATOM 0 HB3 ASP A 82 18.168 12.351 2.015 1.00 0.86 H new ATOM 1091 N PRO A 83 21.686 10.719 4.046 1.00 1.15 N ATOM 1092 CA PRO A 83 22.901 10.781 4.878 1.00 1.42 C ATOM 1093 C PRO A 83 23.478 12.186 5.048 1.00 1.28 C ATOM 1094 O PRO A 83 24.004 12.517 6.111 1.00 1.40 O ATOM 1095 CB PRO A 83 23.894 9.899 4.125 1.00 1.81 C ATOM 1096 CG PRO A 83 23.052 8.981 3.309 1.00 1.93 C ATOM 1097 CD PRO A 83 21.845 9.783 2.914 1.00 1.42 C ATOM 0 HA PRO A 83 22.682 10.459 5.896 1.00 1.42 H new ATOM 0 HB2 PRO A 83 24.553 10.496 3.494 1.00 1.81 H new ATOM 0 HB3 PRO A 83 24.530 9.343 4.814 1.00 1.81 H new ATOM 0 HG2 PRO A 83 23.593 8.629 2.431 1.00 1.93 H new ATOM 0 HG3 PRO A 83 22.766 8.099 3.882 1.00 1.93 H new ATOM 0 HD2 PRO A 83 22.001 10.310 1.973 1.00 1.42 H new ATOM 0 HD3 PRO A 83 20.965 9.152 2.785 1.00 1.42 H new ATOM 1105 N ALA A 84 23.385 13.005 4.008 1.00 1.13 N ATOM 1106 CA ALA A 84 23.896 14.367 4.070 1.00 1.17 C ATOM 1107 C ALA A 84 23.095 15.136 5.092 1.00 1.20 C ATOM 1108 O ALA A 84 23.637 15.718 6.032 1.00 1.53 O ATOM 1109 CB ALA A 84 23.820 15.035 2.708 1.00 1.21 C ATOM 0 H ALA A 84 22.962 12.751 3.115 1.00 1.13 H new ATOM 0 HA ALA A 84 24.945 14.351 4.365 1.00 1.17 H new ATOM 0 HB1 ALA A 84 24.207 16.051 2.779 1.00 1.21 H new ATOM 0 HB2 ALA A 84 24.415 14.469 1.992 1.00 1.21 H new ATOM 0 HB3 ALA A 84 22.783 15.064 2.375 1.00 1.21 H new ATOM 1115 N CYS A 85 21.790 15.067 4.928 1.00 1.02 N ATOM 1116 CA CYS A 85 20.878 15.682 5.863 1.00 1.19 C ATOM 1117 C CYS A 85 20.405 14.596 6.781 1.00 1.46 C ATOM 1118 O CYS A 85 19.305 14.081 6.616 1.00 1.88 O ATOM 1119 CB CYS A 85 19.673 16.319 5.169 1.00 1.15 C ATOM 1120 SG CYS A 85 20.063 17.097 3.578 1.00 1.42 S ATOM 0 H CYS A 85 21.337 14.587 4.150 1.00 1.02 H new ATOM 0 HA CYS A 85 21.392 16.482 6.396 1.00 1.19 H new ATOM 0 HB2 CYS A 85 18.912 15.555 5.011 1.00 1.15 H new ATOM 0 HB3 CYS A 85 19.240 17.068 5.831 1.00 1.15 H new ATOM 1125 N ASP A 86 21.241 14.210 7.725 1.00 1.53 N ATOM 1126 CA ASP A 86 20.848 13.146 8.630 1.00 1.90 C ATOM 1127 C ASP A 86 21.105 13.557 10.050 1.00 1.82 C ATOM 1128 O ASP A 86 20.209 13.517 10.894 1.00 2.29 O ATOM 1129 CB ASP A 86 21.599 11.856 8.325 1.00 2.43 C ATOM 1130 CG ASP A 86 20.714 10.633 8.452 1.00 3.07 C ATOM 1131 OD1 ASP A 86 19.782 10.489 7.633 1.00 3.47 O ATOM 1132 OD2 ASP A 86 20.948 9.821 9.373 1.00 3.60 O ATOM 0 H ASP A 86 22.169 14.602 7.884 1.00 1.53 H new ATOM 0 HA ASP A 86 19.783 12.963 8.490 1.00 1.90 H new ATOM 0 HB2 ASP A 86 22.005 11.905 7.315 1.00 2.43 H new ATOM 0 HB3 ASP A 86 22.446 11.761 9.005 1.00 2.43 H new ATOM 1137 N PRO A 87 22.341 13.950 10.344 1.00 1.72 N ATOM 1138 CA PRO A 87 22.715 14.350 11.661 1.00 2.05 C ATOM 1139 C PRO A 87 22.562 15.846 11.905 1.00 2.20 C ATOM 1140 O PRO A 87 22.428 16.659 10.993 1.00 2.35 O ATOM 1141 CB PRO A 87 24.201 13.947 11.738 1.00 2.46 C ATOM 1142 CG PRO A 87 24.629 13.633 10.333 1.00 2.56 C ATOM 1143 CD PRO A 87 23.488 14.023 9.436 1.00 1.96 C ATOM 0 HA PRO A 87 22.080 13.885 12.415 1.00 2.05 H new ATOM 0 HB2 PRO A 87 24.801 14.755 12.155 1.00 2.46 H new ATOM 0 HB3 PRO A 87 24.336 13.082 12.387 1.00 2.46 H new ATOM 0 HG2 PRO A 87 25.532 14.184 10.072 1.00 2.56 H new ATOM 0 HG3 PRO A 87 24.860 12.573 10.227 1.00 2.56 H new ATOM 0 HD2 PRO A 87 23.618 15.024 9.024 1.00 1.96 H new ATOM 0 HD3 PRO A 87 23.383 13.342 8.592 1.00 1.96 H new ATOM 1151 N GLU A 88 22.616 16.139 13.176 1.00 2.56 N ATOM 1152 CA GLU A 88 22.546 17.431 13.790 1.00 3.21 C ATOM 1153 C GLU A 88 23.751 18.241 13.418 1.00 3.51 C ATOM 1154 O GLU A 88 23.901 19.375 13.872 1.00 4.11 O ATOM 1155 CB GLU A 88 22.436 17.303 15.304 1.00 3.64 C ATOM 1156 CG GLU A 88 23.607 16.561 15.919 1.00 3.54 C ATOM 1157 CD GLU A 88 23.682 16.728 17.422 1.00 4.21 C ATOM 1158 OE1 GLU A 88 22.862 16.108 18.130 1.00 4.58 O ATOM 1159 OE2 GLU A 88 24.566 17.476 17.890 1.00 4.72 O ATOM 0 H GLU A 88 22.721 15.403 13.874 1.00 2.56 H new ATOM 0 HA GLU A 88 21.653 17.941 13.428 1.00 3.21 H new ATOM 0 HB2 GLU A 88 22.371 18.298 15.744 1.00 3.64 H new ATOM 0 HB3 GLU A 88 21.511 16.783 15.554 1.00 3.64 H new ATOM 0 HG2 GLU A 88 23.526 15.501 15.679 1.00 3.54 H new ATOM 0 HG3 GLU A 88 24.534 16.919 15.471 1.00 3.54 H new ATOM 1166 N ALA A 89 24.641 17.666 12.616 1.00 3.29 N ATOM 1167 CA ALA A 89 25.827 18.322 12.120 1.00 3.88 C ATOM 1168 C ALA A 89 25.562 19.656 11.425 1.00 4.78 C ATOM 1169 O ALA A 89 26.269 19.993 10.467 1.00 5.29 O ATOM 1170 CB ALA A 89 26.407 17.366 11.057 1.00 3.48 C ATOM 0 H ALA A 89 24.547 16.704 12.289 1.00 3.29 H new ATOM 0 HA ALA A 89 26.481 18.534 12.966 1.00 3.88 H new ATOM 0 HB1 ALA A 89 27.313 17.799 10.634 1.00 3.48 H new ATOM 0 HB2 ALA A 89 26.644 16.408 11.520 1.00 3.48 H new ATOM 0 HB3 ALA A 89 25.674 17.214 10.265 1.00 3.48 H new ATOM 1176 N ALA A 90 24.604 20.449 11.885 1.00 5.12 N ATOM 1177 CA ALA A 90 24.351 21.750 11.263 1.00 6.15 C ATOM 1178 C ALA A 90 25.390 22.791 11.692 1.00 6.94 C ATOM 1179 O ALA A 90 26.097 22.603 12.684 1.00 6.98 O ATOM 1180 CB ALA A 90 22.951 22.231 11.628 1.00 6.47 C ATOM 0 H ALA A 90 23.996 20.224 12.673 1.00 5.12 H new ATOM 0 HA ALA A 90 24.428 21.628 10.183 1.00 6.15 H new ATOM 0 HB1 ALA A 90 22.766 23.200 11.163 1.00 6.47 H new ATOM 0 HB2 ALA A 90 22.214 21.511 11.271 1.00 6.47 H new ATOM 0 HB3 ALA A 90 22.870 22.327 12.711 1.00 6.47 H new ATOM 1186 N PHE A 91 25.459 23.895 10.943 1.00 7.67 N ATOM 1187 CA PHE A 91 26.405 24.977 11.237 1.00 8.56 C ATOM 1188 C PHE A 91 25.840 25.959 12.268 1.00 9.41 C ATOM 1189 O PHE A 91 25.645 27.138 11.967 1.00 9.96 O ATOM 1190 CB PHE A 91 26.754 25.748 9.956 1.00 9.02 C ATOM 1191 CG PHE A 91 26.723 24.919 8.703 1.00 9.29 C ATOM 1192 CD1 PHE A 91 27.817 24.157 8.334 1.00 9.65 C ATOM 1193 CD2 PHE A 91 25.599 24.909 7.892 1.00 9.45 C ATOM 1194 CE1 PHE A 91 27.792 23.397 7.181 1.00 10.10 C ATOM 1195 CE2 PHE A 91 25.569 24.151 6.738 1.00 9.92 C ATOM 1196 CZ PHE A 91 26.666 23.394 6.382 1.00 10.21 C ATOM 0 H PHE A 91 24.870 24.064 10.127 1.00 7.67 H new ATOM 0 HA PHE A 91 27.302 24.514 11.649 1.00 8.56 H new ATOM 0 HB2 PHE A 91 26.056 26.578 9.845 1.00 9.02 H new ATOM 0 HB3 PHE A 91 27.749 26.180 10.066 1.00 9.02 H new ATOM 0 HD1 PHE A 91 28.701 24.156 8.955 1.00 9.65 H new ATOM 0 HD2 PHE A 91 24.738 25.500 8.165 1.00 9.45 H new ATOM 0 HE1 PHE A 91 28.652 22.806 6.905 1.00 10.10 H new ATOM 0 HE2 PHE A 91 24.687 24.151 6.115 1.00 9.92 H new ATOM 0 HZ PHE A 91 26.644 22.800 5.480 1.00 10.21 H new ATOM 1206 N SER A 92 25.597 25.485 13.485 1.00 9.61 N ATOM 1207 CA SER A 92 25.073 26.345 14.542 1.00 10.49 C ATOM 1208 C SER A 92 26.207 27.066 15.266 1.00 11.25 C ATOM 1209 O SER A 92 27.186 26.392 15.648 1.00 11.48 O ATOM 1210 CB SER A 92 24.253 25.530 15.544 1.00 10.50 C ATOM 1211 OG SER A 92 24.941 24.355 15.932 1.00 10.56 O ATOM 1212 OXT SER A 92 26.107 28.299 15.443 1.00 11.77 O ATOM 0 H SER A 92 25.753 24.516 13.764 1.00 9.61 H new ATOM 0 HA SER A 92 24.425 27.089 14.078 1.00 10.49 H new ATOM 0 HB2 SER A 92 24.040 26.138 16.424 1.00 10.50 H new ATOM 0 HB3 SER A 92 23.293 25.263 15.101 1.00 10.50 H new ATOM 0 HG SER A 92 25.899 24.546 16.005 1.00 10.56 H new TER 1218 SER A 92 ATOM 1219 N ALA B 101 1.226 -10.512 14.616 1.00 10.07 N ATOM 1220 CA ALA B 101 0.133 -10.900 15.556 1.00 9.47 C ATOM 1221 C ALA B 101 -0.737 -9.689 15.913 1.00 8.40 C ATOM 1222 O ALA B 101 -0.491 -8.593 15.419 1.00 8.14 O ATOM 1223 CB ALA B 101 0.726 -11.515 16.816 1.00 9.68 C ATOM 0 HA ALA B 101 -0.500 -11.638 15.064 1.00 9.47 H new ATOM 0 HB1 ALA B 101 -0.078 -11.795 17.497 1.00 9.68 H new ATOM 0 HB2 ALA B 101 1.303 -12.401 16.551 1.00 9.68 H new ATOM 0 HB3 ALA B 101 1.378 -10.790 17.303 1.00 9.68 H new ATOM 1231 N VAL B 102 -1.716 -9.883 16.809 1.00 8.03 N ATOM 1232 CA VAL B 102 -2.569 -8.783 17.262 1.00 7.24 C ATOM 1233 C VAL B 102 -2.789 -7.674 16.196 1.00 6.03 C ATOM 1234 O VAL B 102 -2.925 -6.500 16.537 1.00 5.94 O ATOM 1235 CB VAL B 102 -1.992 -8.153 18.545 1.00 7.66 C ATOM 1236 CG1 VAL B 102 -0.715 -7.382 18.244 1.00 7.91 C ATOM 1237 CG2 VAL B 102 -3.020 -7.261 19.226 1.00 8.41 C ATOM 0 H VAL B 102 -1.933 -10.786 17.230 1.00 8.03 H new ATOM 0 HA VAL B 102 -3.545 -9.227 17.457 1.00 7.24 H new ATOM 0 HB VAL B 102 -1.743 -8.961 19.233 1.00 7.66 H new ATOM 0 HG11 VAL B 102 -0.327 -6.947 19.165 1.00 7.91 H new ATOM 0 HG12 VAL B 102 0.028 -8.059 17.822 1.00 7.91 H new ATOM 0 HG13 VAL B 102 -0.930 -6.587 17.530 1.00 7.91 H new ATOM 0 HG21 VAL B 102 -2.587 -6.830 20.128 1.00 8.41 H new ATOM 0 HG22 VAL B 102 -3.315 -6.461 18.547 1.00 8.41 H new ATOM 0 HG23 VAL B 102 -3.896 -7.853 19.491 1.00 8.41 H new ATOM 1247 N LEU B 103 -2.898 -8.069 14.931 1.00 5.40 N ATOM 1248 CA LEU B 103 -3.184 -7.143 13.860 1.00 4.42 C ATOM 1249 C LEU B 103 -3.729 -7.807 12.582 1.00 4.14 C ATOM 1250 O LEU B 103 -3.179 -7.561 11.505 1.00 4.51 O ATOM 1251 CB LEU B 103 -1.938 -6.319 13.532 1.00 4.44 C ATOM 1252 CG LEU B 103 -0.688 -7.106 13.130 1.00 5.04 C ATOM 1253 CD1 LEU B 103 -0.432 -6.972 11.635 1.00 5.09 C ATOM 1254 CD2 LEU B 103 0.526 -6.627 13.920 1.00 5.87 C ATOM 0 H LEU B 103 -2.790 -9.037 14.629 1.00 5.40 H new ATOM 0 HA LEU B 103 -3.982 -6.497 14.227 1.00 4.42 H new ATOM 0 HB2 LEU B 103 -2.185 -5.633 12.722 1.00 4.44 H new ATOM 0 HB3 LEU B 103 -1.693 -5.709 14.402 1.00 4.44 H new ATOM 0 HG LEU B 103 -0.857 -8.158 13.361 1.00 5.04 H new ATOM 0 HD11 LEU B 103 0.460 -7.538 11.367 1.00 5.09 H new ATOM 0 HD12 LEU B 103 -1.288 -7.361 11.083 1.00 5.09 H new ATOM 0 HD13 LEU B 103 -0.285 -5.922 11.384 1.00 5.09 H new ATOM 0 HD21 LEU B 103 1.404 -7.199 13.620 1.00 5.87 H new ATOM 0 HD22 LEU B 103 0.696 -5.569 13.720 1.00 5.87 H new ATOM 0 HD23 LEU B 103 0.347 -6.771 14.985 1.00 5.87 H new ATOM 1266 N ASP B 104 -4.878 -8.461 12.625 1.00 4.04 N ATOM 1267 CA ASP B 104 -5.458 -8.880 11.352 1.00 4.36 C ATOM 1268 C ASP B 104 -6.530 -7.847 11.097 1.00 4.07 C ATOM 1269 O ASP B 104 -6.235 -6.654 10.987 1.00 4.12 O ATOM 1270 CB ASP B 104 -5.993 -10.328 11.373 1.00 5.06 C ATOM 1271 CG ASP B 104 -5.187 -11.264 10.490 1.00 5.80 C ATOM 1272 OD1 ASP B 104 -3.983 -11.450 10.762 1.00 6.19 O ATOM 1273 OD2 ASP B 104 -5.764 -11.813 9.526 1.00 6.27 O ATOM 0 H ASP B 104 -5.402 -8.703 13.466 1.00 4.04 H new ATOM 0 HA ASP B 104 -4.720 -8.917 10.550 1.00 4.36 H new ATOM 0 HB2 ASP B 104 -5.980 -10.701 12.397 1.00 5.06 H new ATOM 0 HB3 ASP B 104 -7.033 -10.332 11.045 1.00 5.06 H new ATOM 1278 N LEU B 105 -7.783 -8.273 11.175 1.00 4.35 N ATOM 1279 CA LEU B 105 -8.874 -7.365 11.133 1.00 4.75 C ATOM 1280 C LEU B 105 -9.488 -7.275 12.533 1.00 5.41 C ATOM 1281 O LEU B 105 -10.540 -6.658 12.715 1.00 6.19 O ATOM 1282 CB LEU B 105 -9.907 -7.742 10.079 1.00 5.45 C ATOM 1283 CG LEU B 105 -11.042 -6.730 9.901 1.00 6.23 C ATOM 1284 CD1 LEU B 105 -10.542 -5.298 10.107 1.00 5.95 C ATOM 1285 CD2 LEU B 105 -11.665 -6.890 8.521 1.00 7.20 C ATOM 0 H LEU B 105 -8.050 -9.253 11.268 1.00 4.35 H new ATOM 0 HA LEU B 105 -8.506 -6.384 10.835 1.00 4.75 H new ATOM 0 HB2 LEU B 105 -9.400 -7.870 9.123 1.00 5.45 H new ATOM 0 HB3 LEU B 105 -10.338 -8.708 10.342 1.00 5.45 H new ATOM 0 HG LEU B 105 -11.802 -6.925 10.657 1.00 6.23 H new ATOM 0 HD11 LEU B 105 -11.370 -4.601 9.974 1.00 5.95 H new ATOM 0 HD12 LEU B 105 -10.139 -5.195 11.114 1.00 5.95 H new ATOM 0 HD13 LEU B 105 -9.761 -5.077 9.379 1.00 5.95 H new ATOM 0 HD21 LEU B 105 -12.472 -6.167 8.400 1.00 7.20 H new ATOM 0 HD22 LEU B 105 -10.907 -6.718 7.757 1.00 7.20 H new ATOM 0 HD23 LEU B 105 -12.063 -7.899 8.416 1.00 7.20 H new ATOM 1297 N ASP B 106 -8.753 -7.751 13.524 1.00 5.41 N ATOM 1298 CA ASP B 106 -9.165 -7.566 14.878 1.00 6.32 C ATOM 1299 C ASP B 106 -8.639 -6.182 15.081 1.00 6.19 C ATOM 1300 O ASP B 106 -9.066 -5.302 14.322 1.00 6.37 O ATOM 1301 CB ASP B 106 -8.588 -8.623 15.826 1.00 7.13 C ATOM 1302 CG ASP B 106 -9.563 -9.768 16.059 1.00 8.06 C ATOM 1303 OD1 ASP B 106 -9.875 -10.498 15.093 1.00 8.55 O ATOM 1304 OD2 ASP B 106 -10.021 -9.932 17.212 1.00 8.48 O ATOM 0 H ASP B 106 -7.878 -8.262 13.404 1.00 5.41 H new ATOM 0 HA ASP B 106 -10.230 -7.678 15.081 1.00 6.32 H new ATOM 0 HB2 ASP B 106 -7.660 -9.015 15.411 1.00 7.13 H new ATOM 0 HB3 ASP B 106 -8.339 -8.158 16.780 1.00 7.13 H new ATOM 1309 N VAL B 107 -7.759 -5.878 16.017 1.00 6.17 N ATOM 1310 CA VAL B 107 -7.375 -4.507 16.040 1.00 6.24 C ATOM 1311 C VAL B 107 -5.908 -4.466 15.665 1.00 5.49 C ATOM 1312 O VAL B 107 -5.072 -5.028 16.369 1.00 5.67 O ATOM 1313 CB VAL B 107 -7.734 -3.997 17.466 1.00 7.18 C ATOM 1314 CG1 VAL B 107 -6.808 -4.561 18.534 1.00 7.33 C ATOM 1315 CG2 VAL B 107 -7.840 -2.490 17.528 1.00 7.48 C ATOM 0 H VAL B 107 -7.338 -6.503 16.704 1.00 6.17 H new ATOM 0 HA VAL B 107 -7.882 -3.849 15.334 1.00 6.24 H new ATOM 0 HB VAL B 107 -8.728 -4.383 17.690 1.00 7.18 H new ATOM 0 HG11 VAL B 107 -7.101 -4.175 19.510 1.00 7.33 H new ATOM 0 HG12 VAL B 107 -6.878 -5.649 18.538 1.00 7.33 H new ATOM 0 HG13 VAL B 107 -5.781 -4.264 18.319 1.00 7.33 H new ATOM 0 HG21 VAL B 107 -8.092 -2.184 18.543 1.00 7.48 H new ATOM 0 HG22 VAL B 107 -6.887 -2.046 17.242 1.00 7.48 H new ATOM 0 HG23 VAL B 107 -8.618 -2.152 16.844 1.00 7.48 H new ATOM 1325 N ARG B 108 -5.565 -3.807 14.566 1.00 5.08 N ATOM 1326 CA ARG B 108 -4.158 -3.732 14.167 1.00 4.80 C ATOM 1327 C ARG B 108 -3.489 -2.711 15.008 1.00 4.49 C ATOM 1328 O ARG B 108 -3.861 -1.548 14.895 1.00 4.98 O ATOM 1329 CB ARG B 108 -3.974 -3.342 12.690 1.00 5.26 C ATOM 1330 CG ARG B 108 -2.541 -3.523 12.194 1.00 6.18 C ATOM 1331 CD ARG B 108 -2.437 -3.527 10.674 1.00 6.96 C ATOM 1332 NE ARG B 108 -2.608 -4.862 10.097 1.00 7.64 N ATOM 1333 CZ ARG B 108 -1.904 -5.317 9.058 1.00 8.36 C ATOM 1334 NH1 ARG B 108 -0.898 -4.604 8.561 1.00 8.54 N ATOM 1335 NH2 ARG B 108 -2.189 -6.501 8.530 1.00 9.12 N ATOM 0 H ARG B 108 -6.218 -3.327 13.947 1.00 5.08 H new ATOM 0 HA ARG B 108 -3.724 -4.723 14.301 1.00 4.80 H new ATOM 0 HB2 ARG B 108 -4.643 -3.945 12.076 1.00 5.26 H new ATOM 0 HB3 ARG B 108 -4.269 -2.301 12.556 1.00 5.26 H new ATOM 0 HG2 ARG B 108 -1.919 -2.722 12.594 1.00 6.18 H new ATOM 0 HG3 ARG B 108 -2.143 -4.460 12.583 1.00 6.18 H new ATOM 0 HD2 ARG B 108 -3.192 -2.858 10.261 1.00 6.96 H new ATOM 0 HD3 ARG B 108 -1.465 -3.131 10.380 1.00 6.96 H new ATOM 0 HE ARG B 108 -3.305 -5.480 10.513 1.00 7.64 H new ATOM 0 HH11 ARG B 108 -0.659 -3.702 8.974 1.00 8.54 H new ATOM 0 HH12 ARG B 108 -0.365 -4.959 7.767 1.00 8.54 H new ATOM 0 HH21 ARG B 108 -2.946 -7.064 8.918 1.00 9.12 H new ATOM 0 HH22 ARG B 108 -1.651 -6.848 7.736 1.00 9.12 H new ATOM 1349 N THR B 109 -2.540 -3.052 15.855 1.00 4.05 N ATOM 1350 CA THR B 109 -1.968 -1.940 16.627 1.00 4.08 C ATOM 1351 C THR B 109 -1.661 -0.789 15.648 1.00 3.18 C ATOM 1352 O THR B 109 -0.702 -0.820 14.878 1.00 3.48 O ATOM 1353 CB THR B 109 -0.700 -2.368 17.378 1.00 4.98 C ATOM 1354 OG1 THR B 109 -0.121 -1.264 18.062 1.00 5.58 O ATOM 1355 CG2 THR B 109 0.369 -2.967 16.488 1.00 5.69 C ATOM 0 H THR B 109 -2.169 -3.987 16.027 1.00 4.05 H new ATOM 0 HA THR B 109 -2.684 -1.615 17.382 1.00 4.08 H new ATOM 0 HB THR B 109 -1.035 -3.138 18.073 1.00 4.98 H new ATOM 0 HG1 THR B 109 0.685 -1.559 18.535 1.00 5.58 H new ATOM 0 HG21 THR B 109 1.233 -3.244 17.093 1.00 5.69 H new ATOM 0 HG22 THR B 109 -0.026 -3.853 15.991 1.00 5.69 H new ATOM 0 HG23 THR B 109 0.670 -2.235 15.738 1.00 5.69 H new ATOM 1363 N CYS B 110 -2.524 0.226 15.731 1.00 2.52 N ATOM 1364 CA CYS B 110 -2.470 1.442 14.927 1.00 1.89 C ATOM 1365 C CYS B 110 -1.474 2.467 15.466 1.00 1.69 C ATOM 1366 O CYS B 110 -1.910 3.489 15.994 1.00 1.94 O ATOM 1367 CB CYS B 110 -3.865 2.075 14.840 1.00 2.23 C ATOM 1368 SG CYS B 110 -5.056 1.179 13.785 1.00 2.61 S ATOM 0 H CYS B 110 -3.307 0.220 16.385 1.00 2.52 H new ATOM 0 HA CYS B 110 -2.126 1.149 13.935 1.00 1.89 H new ATOM 0 HB2 CYS B 110 -4.278 2.148 15.846 1.00 2.23 H new ATOM 0 HB3 CYS B 110 -3.763 3.093 14.463 1.00 2.23 H new ATOM 1373 N LEU B 111 -0.169 2.235 15.376 1.00 1.46 N ATOM 1374 CA LEU B 111 0.792 3.220 15.912 1.00 1.37 C ATOM 1375 C LEU B 111 0.220 4.643 15.795 1.00 1.20 C ATOM 1376 O LEU B 111 0.124 5.163 14.700 1.00 1.18 O ATOM 1377 CB LEU B 111 2.116 3.167 15.137 1.00 1.54 C ATOM 1378 CG LEU B 111 3.003 1.938 15.374 1.00 1.90 C ATOM 1379 CD1 LEU B 111 2.280 0.659 14.984 1.00 2.47 C ATOM 1380 CD2 LEU B 111 4.300 2.072 14.589 1.00 2.26 C ATOM 0 H LEU B 111 0.248 1.405 14.954 1.00 1.46 H new ATOM 0 HA LEU B 111 0.969 2.972 16.958 1.00 1.37 H new ATOM 0 HB2 LEU B 111 1.890 3.223 14.072 1.00 1.54 H new ATOM 0 HB3 LEU B 111 2.693 4.057 15.388 1.00 1.54 H new ATOM 0 HG LEU B 111 3.234 1.883 16.438 1.00 1.90 H new ATOM 0 HD11 LEU B 111 2.932 -0.196 15.162 1.00 2.47 H new ATOM 0 HD12 LEU B 111 1.375 0.556 15.582 1.00 2.47 H new ATOM 0 HD13 LEU B 111 2.014 0.699 13.928 1.00 2.47 H new ATOM 0 HD21 LEU B 111 4.923 1.195 14.764 1.00 2.26 H new ATOM 0 HD22 LEU B 111 4.075 2.151 13.525 1.00 2.26 H new ATOM 0 HD23 LEU B 111 4.832 2.966 14.915 1.00 2.26 H new ATOM 1392 N PRO B 112 -0.175 5.300 16.907 1.00 1.19 N ATOM 1393 CA PRO B 112 -0.744 6.654 16.849 1.00 1.12 C ATOM 1394 C PRO B 112 0.310 7.761 16.754 1.00 1.03 C ATOM 1395 O PRO B 112 1.315 7.716 17.457 1.00 1.06 O ATOM 1396 CB PRO B 112 -1.486 6.761 18.170 1.00 1.30 C ATOM 1397 CG PRO B 112 -0.695 5.925 19.105 1.00 1.47 C ATOM 1398 CD PRO B 112 -0.149 4.784 18.287 1.00 1.37 C ATOM 0 HA PRO B 112 -1.360 6.788 15.960 1.00 1.12 H new ATOM 0 HB2 PRO B 112 -1.543 7.795 18.512 1.00 1.30 H new ATOM 0 HB3 PRO B 112 -2.510 6.398 18.081 1.00 1.30 H new ATOM 0 HG2 PRO B 112 0.112 6.502 19.556 1.00 1.47 H new ATOM 0 HG3 PRO B 112 -1.318 5.557 19.920 1.00 1.47 H new ATOM 0 HD2 PRO B 112 0.862 4.518 18.596 1.00 1.37 H new ATOM 0 HD3 PRO B 112 -0.761 3.888 18.391 1.00 1.37 H new ATOM 1406 N CYS B 113 0.072 8.773 15.912 1.00 0.94 N ATOM 1407 CA CYS B 113 1.029 9.889 15.786 1.00 0.90 C ATOM 1408 C CYS B 113 0.321 11.197 15.437 1.00 0.91 C ATOM 1409 O CYS B 113 -0.899 11.240 15.324 1.00 1.00 O ATOM 1410 CB CYS B 113 2.119 9.586 14.738 1.00 0.83 C ATOM 1411 SG CYS B 113 1.526 9.434 13.019 1.00 0.87 S ATOM 0 H CYS B 113 -0.754 8.847 15.318 1.00 0.94 H new ATOM 0 HA CYS B 113 1.508 10.003 16.758 1.00 0.90 H new ATOM 0 HB2 CYS B 113 2.868 10.377 14.778 1.00 0.83 H new ATOM 0 HB3 CYS B 113 2.619 8.658 15.016 1.00 0.83 H new ATOM 1416 N GLY B 114 1.091 12.264 15.273 1.00 0.92 N ATOM 1417 CA GLY B 114 0.508 13.565 14.945 1.00 0.99 C ATOM 1418 C GLY B 114 -0.159 14.264 16.133 1.00 1.11 C ATOM 1419 O GLY B 114 0.067 13.885 17.283 1.00 1.16 O ATOM 0 H GLY B 114 2.107 12.260 15.359 1.00 0.92 H new ATOM 0 HA2 GLY B 114 1.290 14.212 14.547 1.00 0.99 H new ATOM 0 HA3 GLY B 114 -0.229 13.432 14.153 1.00 0.99 H new ATOM 1423 N PRO B 115 -1.014 15.280 15.870 1.00 1.19 N ATOM 1424 CA PRO B 115 -1.766 16.053 16.891 1.00 1.33 C ATOM 1425 C PRO B 115 -2.786 15.240 17.687 1.00 1.40 C ATOM 1426 O PRO B 115 -3.827 14.839 17.184 1.00 1.57 O ATOM 1427 CB PRO B 115 -2.508 17.071 16.044 1.00 1.46 C ATOM 1428 CG PRO B 115 -2.788 16.214 14.908 1.00 1.39 C ATOM 1429 CD PRO B 115 -1.421 15.746 14.542 1.00 1.21 C ATOM 0 HA PRO B 115 -1.088 16.451 17.646 1.00 1.33 H new ATOM 0 HB2 PRO B 115 -3.410 17.450 16.525 1.00 1.46 H new ATOM 0 HB3 PRO B 115 -1.898 17.936 15.785 1.00 1.46 H new ATOM 0 HG2 PRO B 115 -3.447 15.387 15.171 1.00 1.39 H new ATOM 0 HG3 PRO B 115 -3.267 16.757 14.093 1.00 1.39 H new ATOM 0 HD2 PRO B 115 -1.427 14.953 13.794 1.00 1.21 H new ATOM 0 HD3 PRO B 115 -0.786 16.543 14.156 1.00 1.21 H new ATOM 1437 N GLY B 116 -2.393 14.905 18.858 1.00 1.35 N ATOM 1438 CA GLY B 116 -3.135 14.054 19.777 1.00 1.48 C ATOM 1439 C GLY B 116 -2.781 12.593 19.571 1.00 1.44 C ATOM 1440 O GLY B 116 -3.174 11.733 20.358 1.00 1.70 O ATOM 0 H GLY B 116 -1.503 15.221 19.243 1.00 1.35 H new ATOM 0 HA2 GLY B 116 -2.915 14.344 20.805 1.00 1.48 H new ATOM 0 HA3 GLY B 116 -4.205 14.197 19.627 1.00 1.48 H new ATOM 1444 N GLY B 117 -2.015 12.331 18.514 1.00 1.29 N ATOM 1445 CA GLY B 117 -1.603 11.001 18.231 1.00 1.26 C ATOM 1446 C GLY B 117 -2.768 10.126 17.882 1.00 1.26 C ATOM 1447 O GLY B 117 -2.991 9.062 18.459 1.00 1.38 O ATOM 0 H GLY B 117 -1.680 13.034 17.855 1.00 1.29 H new ATOM 0 HA2 GLY B 117 -0.892 11.008 17.405 1.00 1.26 H new ATOM 0 HA3 GLY B 117 -1.083 10.588 19.096 1.00 1.26 H new ATOM 1451 N LYS B 118 -3.486 10.613 16.876 1.00 1.19 N ATOM 1452 CA LYS B 118 -4.633 9.934 16.325 1.00 1.25 C ATOM 1453 C LYS B 118 -4.249 9.081 15.117 1.00 1.15 C ATOM 1454 O LYS B 118 -4.947 8.131 14.778 1.00 1.25 O ATOM 1455 CB LYS B 118 -5.711 10.945 15.933 1.00 1.30 C ATOM 1456 CG LYS B 118 -5.411 12.374 16.368 1.00 1.36 C ATOM 1457 CD LYS B 118 -5.053 13.268 15.190 1.00 1.78 C ATOM 1458 CE LYS B 118 -4.110 12.583 14.215 1.00 1.95 C ATOM 1459 NZ LYS B 118 -4.838 11.999 13.054 1.00 2.54 N ATOM 0 H LYS B 118 -3.278 11.502 16.421 1.00 1.19 H new ATOM 0 HA LYS B 118 -5.028 9.270 17.094 1.00 1.25 H new ATOM 0 HB2 LYS B 118 -5.836 10.925 14.850 1.00 1.30 H new ATOM 0 HB3 LYS B 118 -6.660 10.635 16.370 1.00 1.30 H new ATOM 0 HG2 LYS B 118 -6.279 12.785 16.884 1.00 1.36 H new ATOM 0 HG3 LYS B 118 -4.588 12.370 17.083 1.00 1.36 H new ATOM 0 HD2 LYS B 118 -5.964 13.560 14.667 1.00 1.78 H new ATOM 0 HD3 LYS B 118 -4.590 14.183 15.558 1.00 1.78 H new ATOM 0 HE2 LYS B 118 -3.373 13.302 13.857 1.00 1.95 H new ATOM 0 HE3 LYS B 118 -3.562 11.796 14.733 1.00 1.95 H new ATOM 0 HZ1 LYS B 118 -4.425 11.075 12.815 1.00 2.54 H new ATOM 0 HZ2 LYS B 118 -5.841 11.877 13.299 1.00 2.54 H new ATOM 0 HZ3 LYS B 118 -4.756 12.637 12.237 1.00 2.54 H new ATOM 1473 N GLY B 119 -3.160 9.478 14.441 1.00 1.04 N ATOM 1474 CA GLY B 119 -2.721 8.808 13.231 1.00 0.97 C ATOM 1475 C GLY B 119 -1.644 7.743 13.390 1.00 0.93 C ATOM 1476 O GLY B 119 -1.220 7.396 14.471 1.00 1.02 O ATOM 0 H GLY B 119 -2.573 10.263 14.722 1.00 1.04 H new ATOM 0 HA2 GLY B 119 -3.590 8.345 12.764 1.00 0.97 H new ATOM 0 HA3 GLY B 119 -2.352 9.564 12.538 1.00 0.97 H new ATOM 1480 N ARG B 120 -1.241 7.254 12.241 1.00 0.87 N ATOM 1481 CA ARG B 120 -0.239 6.189 12.178 1.00 0.87 C ATOM 1482 C ARG B 120 1.150 6.645 11.740 1.00 0.80 C ATOM 1483 O ARG B 120 1.316 7.521 10.891 1.00 0.79 O ATOM 1484 CB ARG B 120 -0.760 5.043 11.338 1.00 0.95 C ATOM 1485 CG ARG B 120 -1.193 3.855 12.192 1.00 1.16 C ATOM 1486 CD ARG B 120 -2.649 3.450 11.951 1.00 1.60 C ATOM 1487 NE ARG B 120 -3.211 4.026 10.729 1.00 1.82 N ATOM 1488 CZ ARG B 120 -3.010 3.535 9.508 1.00 2.25 C ATOM 1489 NH1 ARG B 120 -2.276 2.443 9.331 1.00 2.62 N ATOM 1490 NH2 ARG B 120 -3.555 4.136 8.460 1.00 2.89 N ATOM 0 H ARG B 120 -1.584 7.568 11.333 1.00 0.87 H new ATOM 0 HA ARG B 120 -0.087 5.844 13.201 1.00 0.87 H new ATOM 0 HB2 ARG B 120 -1.605 5.387 10.741 1.00 0.95 H new ATOM 0 HB3 ARG B 120 0.015 4.724 10.640 1.00 0.95 H new ATOM 0 HG2 ARG B 120 -0.544 3.005 11.979 1.00 1.16 H new ATOM 0 HG3 ARG B 120 -1.059 4.103 13.245 1.00 1.16 H new ATOM 0 HD2 ARG B 120 -2.713 2.363 11.896 1.00 1.60 H new ATOM 0 HD3 ARG B 120 -3.252 3.762 12.803 1.00 1.60 H new ATOM 0 HE ARG B 120 -3.795 4.858 10.818 1.00 1.82 H new ATOM 0 HH11 ARG B 120 -1.860 1.972 10.135 1.00 2.62 H new ATOM 0 HH12 ARG B 120 -2.128 2.075 8.391 1.00 2.62 H new ATOM 0 HH21 ARG B 120 -4.126 4.971 8.591 1.00 2.89 H new ATOM 0 HH22 ARG B 120 -3.404 3.763 7.523 1.00 2.89 H new ATOM 1504 N CYS B 121 2.148 6.020 12.384 1.00 0.82 N ATOM 1505 CA CYS B 121 3.562 6.303 12.159 1.00 0.81 C ATOM 1506 C CYS B 121 4.194 5.141 11.406 1.00 0.85 C ATOM 1507 O CYS B 121 3.575 4.091 11.245 1.00 1.05 O ATOM 1508 CB CYS B 121 4.291 6.457 13.507 1.00 0.91 C ATOM 1509 SG CYS B 121 5.002 8.094 13.849 1.00 1.07 S ATOM 0 H CYS B 121 1.987 5.295 13.084 1.00 0.82 H new ATOM 0 HA CYS B 121 3.648 7.225 11.584 1.00 0.81 H new ATOM 0 HB2 CYS B 121 3.590 6.214 14.306 1.00 0.91 H new ATOM 0 HB3 CYS B 121 5.092 5.719 13.550 1.00 0.91 H new ATOM 1514 N PHE B 122 5.423 5.328 10.942 1.00 0.76 N ATOM 1515 CA PHE B 122 6.121 4.285 10.199 1.00 0.84 C ATOM 1516 C PHE B 122 7.636 4.491 10.277 1.00 0.95 C ATOM 1517 O PHE B 122 8.324 4.538 9.256 1.00 1.44 O ATOM 1518 CB PHE B 122 5.643 4.284 8.738 1.00 0.86 C ATOM 1519 CG PHE B 122 4.150 4.125 8.603 1.00 0.86 C ATOM 1520 CD1 PHE B 122 3.293 5.190 8.868 1.00 1.41 C ATOM 1521 CD2 PHE B 122 3.602 2.902 8.248 1.00 1.42 C ATOM 1522 CE1 PHE B 122 1.921 5.037 8.777 1.00 1.53 C ATOM 1523 CE2 PHE B 122 2.230 2.741 8.158 1.00 1.50 C ATOM 1524 CZ PHE B 122 1.389 3.810 8.423 1.00 1.15 C ATOM 0 H PHE B 122 5.956 6.189 11.066 1.00 0.76 H new ATOM 0 HA PHE B 122 5.893 3.316 10.644 1.00 0.84 H new ATOM 0 HB2 PHE B 122 5.947 5.216 8.262 1.00 0.86 H new ATOM 0 HB3 PHE B 122 6.138 3.475 8.201 1.00 0.86 H new ATOM 0 HD1 PHE B 122 3.705 6.148 9.148 1.00 1.41 H new ATOM 0 HD2 PHE B 122 4.253 2.066 8.039 1.00 1.42 H new ATOM 0 HE1 PHE B 122 1.268 5.872 8.982 1.00 1.53 H new ATOM 0 HE2 PHE B 122 1.815 1.783 7.881 1.00 1.50 H new ATOM 0 HZ PHE B 122 0.318 3.685 8.353 1.00 1.15 H new ATOM 1534 N GLY B 123 8.144 4.626 11.503 1.00 0.84 N ATOM 1535 CA GLY B 123 9.566 4.836 11.714 1.00 0.89 C ATOM 1536 C GLY B 123 9.817 5.965 12.694 1.00 0.89 C ATOM 1537 O GLY B 123 9.048 6.141 13.632 1.00 0.90 O ATOM 0 H GLY B 123 7.589 4.593 12.358 1.00 0.84 H new ATOM 0 HA2 GLY B 123 10.019 3.919 12.089 1.00 0.89 H new ATOM 0 HA3 GLY B 123 10.047 5.064 10.763 1.00 0.89 H new ATOM 1541 N PRO B 124 10.891 6.749 12.517 1.00 1.02 N ATOM 1542 CA PRO B 124 11.210 7.855 13.402 1.00 1.08 C ATOM 1543 C PRO B 124 10.670 9.186 12.876 1.00 0.96 C ATOM 1544 O PRO B 124 9.725 9.741 13.432 1.00 1.02 O ATOM 1545 CB PRO B 124 12.741 7.849 13.399 1.00 1.33 C ATOM 1546 CG PRO B 124 13.149 7.164 12.120 1.00 1.51 C ATOM 1547 CD PRO B 124 11.896 6.622 11.463 1.00 1.26 C ATOM 0 HA PRO B 124 10.767 7.747 14.392 1.00 1.08 H new ATOM 0 HB2 PRO B 124 13.136 8.864 13.441 1.00 1.33 H new ATOM 0 HB3 PRO B 124 13.131 7.319 14.268 1.00 1.33 H new ATOM 0 HG2 PRO B 124 13.655 7.865 11.456 1.00 1.51 H new ATOM 0 HG3 PRO B 124 13.851 6.357 12.327 1.00 1.51 H new ATOM 0 HD2 PRO B 124 11.625 7.195 10.576 1.00 1.26 H new ATOM 0 HD3 PRO B 124 12.021 5.586 11.148 1.00 1.26 H new ATOM 1555 N SER B 125 11.265 9.683 11.794 1.00 0.97 N ATOM 1556 CA SER B 125 10.828 10.938 11.184 1.00 0.92 C ATOM 1557 C SER B 125 9.804 10.651 10.098 1.00 0.76 C ATOM 1558 O SER B 125 9.898 11.182 8.998 1.00 0.78 O ATOM 1559 CB SER B 125 12.029 11.694 10.591 1.00 1.12 C ATOM 1560 OG SER B 125 12.641 12.518 11.568 1.00 1.25 O ATOM 0 H SER B 125 12.051 9.237 11.321 1.00 0.97 H new ATOM 0 HA SER B 125 10.371 11.563 11.952 1.00 0.92 H new ATOM 0 HB2 SER B 125 12.757 10.981 10.203 1.00 1.12 H new ATOM 0 HB3 SER B 125 11.700 12.304 9.749 1.00 1.12 H new ATOM 0 HG SER B 125 13.403 12.988 11.169 1.00 1.25 H new ATOM 1566 N ILE B 126 8.844 9.774 10.397 1.00 0.70 N ATOM 1567 CA ILE B 126 7.845 9.392 9.418 1.00 0.60 C ATOM 1568 C ILE B 126 6.458 9.162 10.055 1.00 0.57 C ATOM 1569 O ILE B 126 6.276 8.230 10.837 1.00 0.74 O ATOM 1570 CB ILE B 126 8.347 8.116 8.698 1.00 0.60 C ATOM 1571 CG1 ILE B 126 9.582 8.427 7.845 1.00 0.79 C ATOM 1572 CG2 ILE B 126 7.272 7.485 7.840 1.00 0.72 C ATOM 1573 CD1 ILE B 126 10.768 7.539 8.152 1.00 0.85 C ATOM 0 H ILE B 126 8.744 9.322 11.306 1.00 0.70 H new ATOM 0 HA ILE B 126 7.714 10.205 8.704 1.00 0.60 H new ATOM 0 HB ILE B 126 8.616 7.398 9.473 1.00 0.60 H new ATOM 0 HG12 ILE B 126 9.322 8.321 6.792 1.00 0.79 H new ATOM 0 HG13 ILE B 126 9.868 9.467 8.000 1.00 0.79 H new ATOM 0 HG21 ILE B 126 7.670 6.594 7.355 1.00 0.72 H new ATOM 0 HG22 ILE B 126 6.423 7.209 8.465 1.00 0.72 H new ATOM 0 HG23 ILE B 126 6.948 8.197 7.081 1.00 0.72 H new ATOM 0 HD11 ILE B 126 11.605 7.816 7.511 1.00 0.85 H new ATOM 0 HD12 ILE B 126 11.054 7.662 9.196 1.00 0.85 H new ATOM 0 HD13 ILE B 126 10.500 6.498 7.970 1.00 0.85 H new ATOM 1585 N CYS B 127 5.479 10.009 9.701 1.00 0.54 N ATOM 1586 CA CYS B 127 4.109 9.881 10.233 1.00 0.53 C ATOM 1587 C CYS B 127 3.075 10.361 9.204 1.00 0.53 C ATOM 1588 O CYS B 127 3.145 11.489 8.711 1.00 0.56 O ATOM 1589 CB CYS B 127 3.967 10.655 11.560 1.00 0.56 C ATOM 1590 SG CYS B 127 2.252 11.072 12.054 1.00 0.89 S ATOM 0 H CYS B 127 5.607 10.786 9.053 1.00 0.54 H new ATOM 0 HA CYS B 127 3.918 8.827 10.433 1.00 0.53 H new ATOM 0 HB2 CYS B 127 4.421 10.064 12.355 1.00 0.56 H new ATOM 0 HB3 CYS B 127 4.539 11.580 11.484 1.00 0.56 H new ATOM 1595 N CYS B 128 2.128 9.485 8.880 1.00 0.53 N ATOM 1596 CA CYS B 128 1.083 9.789 7.892 1.00 0.56 C ATOM 1597 C CYS B 128 -0.293 9.486 8.432 1.00 0.60 C ATOM 1598 O CYS B 128 -0.426 8.565 9.247 1.00 0.76 O ATOM 1599 CB CYS B 128 1.289 8.874 6.691 1.00 0.63 C ATOM 1600 SG CYS B 128 0.878 9.563 5.062 1.00 1.23 S ATOM 0 H CYS B 128 2.058 8.552 9.287 1.00 0.53 H new ATOM 0 HA CYS B 128 1.152 10.847 7.638 1.00 0.56 H new ATOM 0 HB2 CYS B 128 2.334 8.563 6.675 1.00 0.63 H new ATOM 0 HB3 CYS B 128 0.691 7.975 6.841 1.00 0.63 H new ATOM 1605 N GLY B 129 -1.353 10.189 8.005 1.00 0.60 N ATOM 1606 CA GLY B 129 -2.653 9.855 8.476 1.00 0.65 C ATOM 1607 C GLY B 129 -3.678 9.995 7.342 1.00 0.66 C ATOM 1608 O GLY B 129 -3.333 10.267 6.196 1.00 0.64 O ATOM 0 H GLY B 129 -1.312 10.970 7.350 1.00 0.60 H new ATOM 0 HA2 GLY B 129 -2.659 8.834 8.858 1.00 0.65 H new ATOM 0 HA3 GLY B 129 -2.926 10.507 9.306 1.00 0.65 H new ATOM 1612 N ASP B 130 -4.922 9.820 7.700 1.00 0.72 N ATOM 1613 CA ASP B 130 -6.089 9.898 6.828 1.00 0.76 C ATOM 1614 C ASP B 130 -6.436 11.330 6.452 1.00 0.77 C ATOM 1615 O ASP B 130 -6.687 11.656 5.281 1.00 0.81 O ATOM 1616 CB ASP B 130 -7.307 9.229 7.458 1.00 0.84 C ATOM 1617 CG ASP B 130 -8.365 8.888 6.424 1.00 1.47 C ATOM 1618 OD1 ASP B 130 -8.150 7.931 5.651 1.00 1.96 O ATOM 1619 OD2 ASP B 130 -9.404 9.582 6.385 1.00 2.35 O ATOM 0 H ASP B 130 -5.175 9.606 8.665 1.00 0.72 H new ATOM 0 HA ASP B 130 -5.819 9.362 5.918 1.00 0.76 H new ATOM 0 HB2 ASP B 130 -6.996 8.320 7.972 1.00 0.84 H new ATOM 0 HB3 ASP B 130 -7.735 9.891 8.211 1.00 0.84 H new ATOM 1624 N GLU B 131 -6.398 12.175 7.468 1.00 0.79 N ATOM 1625 CA GLU B 131 -6.650 13.591 7.208 1.00 0.85 C ATOM 1626 C GLU B 131 -5.514 14.408 7.700 1.00 0.89 C ATOM 1627 O GLU B 131 -5.679 15.547 8.140 1.00 1.03 O ATOM 1628 CB GLU B 131 -7.938 14.027 7.906 1.00 0.93 C ATOM 1629 CG GLU B 131 -8.241 13.259 9.185 1.00 1.02 C ATOM 1630 CD GLU B 131 -9.136 14.034 10.136 1.00 1.16 C ATOM 1631 OE1 GLU B 131 -10.349 14.142 9.855 1.00 1.69 O ATOM 1632 OE2 GLU B 131 -8.624 14.530 11.162 1.00 1.63 O ATOM 0 H GLU B 131 -6.205 11.928 8.439 1.00 0.79 H new ATOM 0 HA GLU B 131 -6.756 13.739 6.133 1.00 0.85 H new ATOM 0 HB2 GLU B 131 -7.870 15.089 8.140 1.00 0.93 H new ATOM 0 HB3 GLU B 131 -8.772 13.905 7.215 1.00 0.93 H new ATOM 0 HG2 GLU B 131 -8.720 12.313 8.931 1.00 1.02 H new ATOM 0 HG3 GLU B 131 -7.305 13.017 9.689 1.00 1.02 H new ATOM 1639 N LEU B 132 -4.340 13.816 7.604 1.00 0.83 N ATOM 1640 CA LEU B 132 -3.142 14.428 8.031 1.00 0.89 C ATOM 1641 C LEU B 132 -2.124 14.319 6.919 1.00 0.83 C ATOM 1642 O LEU B 132 -1.322 15.223 6.681 1.00 0.91 O ATOM 1643 CB LEU B 132 -2.718 13.685 9.287 1.00 0.93 C ATOM 1644 CG LEU B 132 -2.622 14.537 10.561 1.00 1.16 C ATOM 1645 CD1 LEU B 132 -2.253 13.692 11.784 1.00 1.25 C ATOM 1646 CD2 LEU B 132 -1.627 15.673 10.367 1.00 1.38 C ATOM 0 H LEU B 132 -4.212 12.881 7.218 1.00 0.83 H new ATOM 0 HA LEU B 132 -3.253 15.489 8.257 1.00 0.89 H new ATOM 0 HB2 LEU B 132 -3.426 12.876 9.465 1.00 0.93 H new ATOM 0 HB3 LEU B 132 -1.747 13.225 9.105 1.00 0.93 H new ATOM 0 HG LEU B 132 -3.607 14.964 10.749 1.00 1.16 H new ATOM 0 HD11 LEU B 132 -2.195 14.332 12.664 1.00 1.25 H new ATOM 0 HD12 LEU B 132 -3.014 12.927 11.941 1.00 1.25 H new ATOM 0 HD13 LEU B 132 -1.287 13.215 11.618 1.00 1.25 H new ATOM 0 HD21 LEU B 132 -1.571 16.267 11.279 1.00 1.38 H new ATOM 0 HD22 LEU B 132 -0.644 15.261 10.141 1.00 1.38 H new ATOM 0 HD23 LEU B 132 -1.953 16.305 9.541 1.00 1.38 H new ATOM 1658 N GLY B 133 -2.178 13.157 6.255 1.00 0.72 N ATOM 1659 CA GLY B 133 -1.294 12.859 5.164 1.00 0.70 C ATOM 1660 C GLY B 133 0.074 12.429 5.667 1.00 0.66 C ATOM 1661 O GLY B 133 0.149 11.754 6.685 1.00 0.65 O ATOM 0 H GLY B 133 -2.840 12.412 6.472 1.00 0.72 H new ATOM 0 HA2 GLY B 133 -1.724 12.068 4.550 1.00 0.70 H new ATOM 0 HA3 GLY B 133 -1.190 13.737 4.526 1.00 0.70 H new ATOM 1665 N CYS B 134 1.150 12.654 4.921 1.00 0.69 N ATOM 1666 CA CYS B 134 2.455 12.169 5.329 1.00 0.68 C ATOM 1667 C CYS B 134 3.356 13.286 5.790 1.00 0.64 C ATOM 1668 O CYS B 134 3.665 14.180 5.005 1.00 0.62 O ATOM 1669 CB CYS B 134 3.095 11.434 4.190 1.00 0.72 C ATOM 1670 SG CYS B 134 2.670 9.666 4.123 1.00 1.08 S ATOM 0 H CYS B 134 1.141 13.165 4.038 1.00 0.69 H new ATOM 0 HA CYS B 134 2.311 11.496 6.174 1.00 0.68 H new ATOM 0 HB2 CYS B 134 2.797 11.905 3.253 1.00 0.72 H new ATOM 0 HB3 CYS B 134 4.178 11.535 4.268 1.00 0.72 H new ATOM 1675 N PHE B 135 3.879 13.190 7.009 1.00 0.67 N ATOM 1676 CA PHE B 135 4.841 14.156 7.462 1.00 0.66 C ATOM 1677 C PHE B 135 6.065 13.344 7.789 1.00 0.64 C ATOM 1678 O PHE B 135 6.091 12.607 8.777 1.00 0.64 O ATOM 1679 CB PHE B 135 4.380 14.943 8.698 1.00 0.70 C ATOM 1680 CG PHE B 135 3.087 14.488 9.299 1.00 0.72 C ATOM 1681 CD1 PHE B 135 1.980 14.249 8.512 1.00 1.15 C ATOM 1682 CD2 PHE B 135 2.991 14.301 10.658 1.00 0.96 C ATOM 1683 CE1 PHE B 135 0.803 13.825 9.070 1.00 1.36 C ATOM 1684 CE2 PHE B 135 1.814 13.878 11.226 1.00 1.19 C ATOM 1685 CZ PHE B 135 0.718 13.638 10.429 1.00 1.23 C ATOM 0 H PHE B 135 3.649 12.460 7.683 1.00 0.67 H new ATOM 0 HA PHE B 135 5.010 14.914 6.697 1.00 0.66 H new ATOM 0 HB2 PHE B 135 5.158 14.880 9.459 1.00 0.70 H new ATOM 0 HB3 PHE B 135 4.285 15.994 8.425 1.00 0.70 H new ATOM 0 HD1 PHE B 135 2.042 14.398 7.444 1.00 1.15 H new ATOM 0 HD2 PHE B 135 3.850 14.489 11.285 1.00 0.96 H new ATOM 0 HE1 PHE B 135 -0.056 13.638 8.443 1.00 1.36 H new ATOM 0 HE2 PHE B 135 1.749 13.734 12.294 1.00 1.19 H new ATOM 0 HZ PHE B 135 -0.209 13.303 10.871 1.00 1.23 H new ATOM 1695 N VAL B 136 7.066 13.448 6.952 1.00 0.66 N ATOM 1696 CA VAL B 136 8.262 12.688 7.152 1.00 0.68 C ATOM 1697 C VAL B 136 9.250 13.498 7.972 1.00 0.71 C ATOM 1698 O VAL B 136 10.050 14.268 7.453 1.00 0.74 O ATOM 1699 CB VAL B 136 8.871 12.218 5.811 1.00 0.73 C ATOM 1700 CG1 VAL B 136 9.695 10.965 6.022 1.00 0.75 C ATOM 1701 CG2 VAL B 136 7.790 11.948 4.752 1.00 0.74 C ATOM 0 H VAL B 136 7.072 14.051 6.129 1.00 0.66 H new ATOM 0 HA VAL B 136 8.013 11.784 7.707 1.00 0.68 H new ATOM 0 HB VAL B 136 9.508 13.023 5.445 1.00 0.73 H new ATOM 0 HG11 VAL B 136 10.119 10.644 5.071 1.00 0.75 H new ATOM 0 HG12 VAL B 136 10.501 11.174 6.726 1.00 0.75 H new ATOM 0 HG13 VAL B 136 9.060 10.175 6.422 1.00 0.75 H new ATOM 0 HG21 VAL B 136 8.262 11.620 3.826 1.00 0.74 H new ATOM 0 HG22 VAL B 136 7.115 11.171 5.111 1.00 0.74 H new ATOM 0 HG23 VAL B 136 7.225 12.862 4.568 1.00 0.74 H new ATOM 1711 N GLY B 137 9.136 13.327 9.282 1.00 0.72 N ATOM 1712 CA GLY B 137 9.989 14.039 10.219 1.00 0.76 C ATOM 1713 C GLY B 137 9.417 15.388 10.594 1.00 0.73 C ATOM 1714 O GLY B 137 9.708 16.392 9.949 1.00 0.83 O ATOM 0 H GLY B 137 8.460 12.700 9.719 1.00 0.72 H new ATOM 0 HA2 GLY B 137 10.120 13.438 11.119 1.00 0.76 H new ATOM 0 HA3 GLY B 137 10.977 14.174 9.779 1.00 0.76 H new ATOM 1718 N THR B 138 8.591 15.404 11.631 1.00 0.69 N ATOM 1719 CA THR B 138 7.952 16.629 12.096 1.00 0.70 C ATOM 1720 C THR B 138 7.610 16.518 13.576 1.00 0.73 C ATOM 1721 O THR B 138 7.747 15.450 14.173 1.00 0.77 O ATOM 1722 CB THR B 138 6.658 16.889 11.311 1.00 0.73 C ATOM 1723 OG1 THR B 138 5.786 15.768 11.377 1.00 0.78 O ATOM 1724 CG2 THR B 138 6.882 17.196 9.847 1.00 0.77 C ATOM 0 H THR B 138 8.346 14.574 12.171 1.00 0.69 H new ATOM 0 HA THR B 138 8.648 17.453 11.939 1.00 0.70 H new ATOM 0 HB THR B 138 6.220 17.766 11.788 1.00 0.73 H new ATOM 0 HG1 THR B 138 5.206 15.851 12.163 1.00 0.78 H new ATOM 0 HG21 THR B 138 5.922 17.368 9.360 1.00 0.77 H new ATOM 0 HG22 THR B 138 7.501 18.088 9.753 1.00 0.77 H new ATOM 0 HG23 THR B 138 7.384 16.354 9.371 1.00 0.77 H new ATOM 1732 N ALA B 139 7.188 17.628 14.180 1.00 0.79 N ATOM 1733 CA ALA B 139 6.837 17.597 15.590 1.00 0.88 C ATOM 1734 C ALA B 139 5.693 16.606 15.782 1.00 0.83 C ATOM 1735 O ALA B 139 5.681 15.821 16.730 1.00 0.87 O ATOM 1736 CB ALA B 139 6.440 18.991 16.072 1.00 1.04 C ATOM 0 H ALA B 139 7.084 18.535 13.726 1.00 0.79 H new ATOM 0 HA ALA B 139 7.696 17.279 16.181 1.00 0.88 H new ATOM 0 HB1 ALA B 139 6.180 18.950 17.130 1.00 1.04 H new ATOM 0 HB2 ALA B 139 7.275 19.677 15.930 1.00 1.04 H new ATOM 0 HB3 ALA B 139 5.581 19.343 15.501 1.00 1.04 H new ATOM 1742 N GLU B 140 4.761 16.618 14.826 1.00 0.79 N ATOM 1743 CA GLU B 140 3.615 15.709 14.832 1.00 0.79 C ATOM 1744 C GLU B 140 4.094 14.263 14.859 1.00 0.73 C ATOM 1745 O GLU B 140 3.447 13.385 15.428 1.00 0.79 O ATOM 1746 CB GLU B 140 2.744 15.953 13.588 1.00 0.83 C ATOM 1747 CG GLU B 140 2.586 17.422 13.216 1.00 1.27 C ATOM 1748 CD GLU B 140 1.636 18.160 14.138 1.00 1.55 C ATOM 1749 OE1 GLU B 140 0.426 18.192 13.840 1.00 2.31 O ATOM 1750 OE2 GLU B 140 2.104 18.707 15.158 1.00 1.90 O ATOM 0 H GLU B 140 4.780 17.255 14.030 1.00 0.79 H new ATOM 0 HA GLU B 140 3.018 15.899 15.724 1.00 0.79 H new ATOM 0 HB2 GLU B 140 3.180 15.420 12.743 1.00 0.83 H new ATOM 0 HB3 GLU B 140 1.756 15.525 13.760 1.00 0.83 H new ATOM 0 HG2 GLU B 140 3.562 17.906 13.243 1.00 1.27 H new ATOM 0 HG3 GLU B 140 2.222 17.496 12.191 1.00 1.27 H new ATOM 1757 N ALA B 141 5.224 14.034 14.207 1.00 0.69 N ATOM 1758 CA ALA B 141 5.806 12.722 14.116 1.00 0.70 C ATOM 1759 C ALA B 141 6.592 12.432 15.369 1.00 0.77 C ATOM 1760 O ALA B 141 6.593 11.306 15.832 1.00 0.87 O ATOM 1761 CB ALA B 141 6.676 12.595 12.872 1.00 0.75 C ATOM 0 H ALA B 141 5.757 14.760 13.728 1.00 0.69 H new ATOM 0 HA ALA B 141 5.009 11.984 14.026 1.00 0.70 H new ATOM 0 HB1 ALA B 141 7.104 11.593 12.828 1.00 0.75 H new ATOM 0 HB2 ALA B 141 6.069 12.770 11.984 1.00 0.75 H new ATOM 0 HB3 ALA B 141 7.479 13.331 12.913 1.00 0.75 H new ATOM 1767 N LEU B 142 7.302 13.429 15.906 1.00 0.80 N ATOM 1768 CA LEU B 142 8.115 13.219 17.100 1.00 0.93 C ATOM 1769 C LEU B 142 7.418 12.300 18.099 1.00 1.06 C ATOM 1770 O LEU B 142 8.071 11.513 18.786 1.00 1.24 O ATOM 1771 CB LEU B 142 8.442 14.565 17.752 1.00 0.97 C ATOM 1772 CG LEU B 142 9.854 15.094 17.472 1.00 1.01 C ATOM 1773 CD1 LEU B 142 9.822 16.576 17.122 1.00 1.11 C ATOM 1774 CD2 LEU B 142 10.760 14.852 18.668 1.00 1.14 C ATOM 0 H LEU B 142 7.328 14.379 15.535 1.00 0.80 H new ATOM 0 HA LEU B 142 9.041 12.732 16.796 1.00 0.93 H new ATOM 0 HB2 LEU B 142 7.718 15.304 17.408 1.00 0.97 H new ATOM 0 HB3 LEU B 142 8.313 14.471 18.830 1.00 0.97 H new ATOM 0 HG LEU B 142 10.254 14.551 16.616 1.00 1.01 H new ATOM 0 HD11 LEU B 142 10.836 16.926 16.928 1.00 1.11 H new ATOM 0 HD12 LEU B 142 9.210 16.727 16.233 1.00 1.11 H new ATOM 0 HD13 LEU B 142 9.397 17.137 17.954 1.00 1.11 H new ATOM 0 HD21 LEU B 142 11.758 15.234 18.452 1.00 1.14 H new ATOM 0 HD22 LEU B 142 10.356 15.366 19.540 1.00 1.14 H new ATOM 0 HD23 LEU B 142 10.817 13.783 18.871 1.00 1.14 H new ATOM 1786 N ARG B 143 6.091 12.346 18.129 1.00 1.06 N ATOM 1787 CA ARG B 143 5.331 11.446 18.993 1.00 1.26 C ATOM 1788 C ARG B 143 5.785 10.016 18.717 1.00 1.27 C ATOM 1789 O ARG B 143 5.682 9.133 19.561 1.00 1.49 O ATOM 1790 CB ARG B 143 3.830 11.564 18.706 1.00 1.35 C ATOM 1791 CG ARG B 143 3.334 12.992 18.537 1.00 1.36 C ATOM 1792 CD ARG B 143 3.268 13.720 19.868 1.00 1.50 C ATOM 1793 NE ARG B 143 1.891 14.007 20.262 1.00 1.90 N ATOM 1794 CZ ARG B 143 1.203 13.295 21.156 1.00 2.20 C ATOM 1795 NH1 ARG B 143 1.756 12.247 21.755 1.00 2.36 N ATOM 1796 NH2 ARG B 143 -0.045 13.633 21.449 1.00 2.93 N ATOM 0 H ARG B 143 5.524 12.987 17.574 1.00 1.06 H new ATOM 0 HA ARG B 143 5.506 11.711 20.036 1.00 1.26 H new ATOM 0 HB2 ARG B 143 3.600 11.003 17.800 1.00 1.35 H new ATOM 0 HB3 ARG B 143 3.278 11.095 19.521 1.00 1.35 H new ATOM 0 HG2 ARG B 143 3.996 13.530 17.859 1.00 1.36 H new ATOM 0 HG3 ARG B 143 2.346 12.983 18.077 1.00 1.36 H new ATOM 0 HD2 ARG B 143 3.748 13.115 20.637 1.00 1.50 H new ATOM 0 HD3 ARG B 143 3.829 14.652 19.800 1.00 1.50 H new ATOM 0 HE ARG B 143 1.426 14.803 19.826 1.00 1.90 H new ATOM 0 HH11 ARG B 143 2.715 11.980 21.533 1.00 2.36 H new ATOM 0 HH12 ARG B 143 1.222 11.709 22.437 1.00 2.36 H new ATOM 0 HH21 ARG B 143 -0.477 14.436 20.991 1.00 2.93 H new ATOM 0 HH22 ARG B 143 -0.573 13.090 22.132 1.00 2.93 H new ATOM 1810 N CYS B 144 6.220 9.825 17.476 1.00 1.10 N ATOM 1811 CA CYS B 144 6.647 8.522 16.945 1.00 1.17 C ATOM 1812 C CYS B 144 7.507 7.672 17.911 1.00 1.44 C ATOM 1813 O CYS B 144 7.712 6.487 17.654 1.00 1.61 O ATOM 1814 CB CYS B 144 7.411 8.730 15.641 1.00 1.05 C ATOM 1815 SG CYS B 144 6.921 7.611 14.296 1.00 1.26 S ATOM 0 H CYS B 144 6.289 10.580 16.794 1.00 1.10 H new ATOM 0 HA CYS B 144 5.729 7.955 16.789 1.00 1.17 H new ATOM 0 HB2 CYS B 144 7.268 9.759 15.311 1.00 1.05 H new ATOM 0 HB3 CYS B 144 8.476 8.602 15.834 1.00 1.05 H new ATOM 1820 N GLN B 145 7.934 8.211 19.048 1.00 1.58 N ATOM 1821 CA GLN B 145 8.676 7.386 20.007 1.00 1.89 C ATOM 1822 C GLN B 145 7.668 6.636 20.878 1.00 2.14 C ATOM 1823 O GLN B 145 8.014 5.815 21.744 1.00 2.40 O ATOM 1824 CB GLN B 145 9.624 8.223 20.867 1.00 2.00 C ATOM 1825 CG GLN B 145 11.085 7.826 20.715 1.00 2.43 C ATOM 1826 CD GLN B 145 11.921 8.196 21.925 1.00 2.77 C ATOM 1827 OE1 GLN B 145 12.668 9.175 21.904 1.00 3.35 O ATOM 1828 NE2 GLN B 145 11.801 7.411 22.992 1.00 3.05 N ATOM 0 H GLN B 145 7.788 9.181 19.327 1.00 1.58 H new ATOM 0 HA GLN B 145 9.299 6.678 19.461 1.00 1.89 H new ATOM 0 HB2 GLN B 145 9.511 9.274 20.602 1.00 2.00 H new ATOM 0 HB3 GLN B 145 9.335 8.125 21.914 1.00 2.00 H new ATOM 0 HG2 GLN B 145 11.150 6.751 20.549 1.00 2.43 H new ATOM 0 HG3 GLN B 145 11.499 8.311 19.831 1.00 2.43 H new ATOM 0 HE21 GLN B 145 11.170 6.610 22.967 1.00 3.05 H new ATOM 0 HE22 GLN B 145 12.340 7.610 23.835 1.00 3.05 H new ATOM 1837 N GLU B 146 6.393 6.880 20.600 1.00 2.12 N ATOM 1838 CA GLU B 146 5.342 6.232 21.334 1.00 2.41 C ATOM 1839 C GLU B 146 5.085 4.870 20.730 1.00 2.40 C ATOM 1840 O GLU B 146 4.131 4.198 21.102 1.00 2.57 O ATOM 1841 CB GLU B 146 4.060 7.076 21.315 1.00 2.47 C ATOM 1842 CG GLU B 146 3.257 6.993 22.607 1.00 2.88 C ATOM 1843 CD GLU B 146 1.996 7.836 22.571 1.00 3.26 C ATOM 1844 OE1 GLU B 146 1.127 7.571 21.714 1.00 3.59 O ATOM 1845 OE2 GLU B 146 1.876 8.758 23.406 1.00 3.76 O ATOM 0 H GLU B 146 6.075 7.521 19.873 1.00 2.12 H new ATOM 0 HA GLU B 146 5.650 6.119 22.373 1.00 2.41 H new ATOM 0 HB2 GLU B 146 4.323 8.117 21.126 1.00 2.47 H new ATOM 0 HB3 GLU B 146 3.433 6.750 20.485 1.00 2.47 H new ATOM 0 HG2 GLU B 146 2.988 5.954 22.796 1.00 2.88 H new ATOM 0 HG3 GLU B 146 3.882 7.317 23.439 1.00 2.88 H new ATOM 1852 N GLU B 147 5.991 4.436 19.840 1.00 2.27 N ATOM 1853 CA GLU B 147 5.887 3.115 19.256 1.00 2.36 C ATOM 1854 C GLU B 147 6.319 2.076 20.288 1.00 2.40 C ATOM 1855 O GLU B 147 6.343 0.882 20.006 1.00 2.48 O ATOM 1856 CB GLU B 147 6.741 3.002 17.992 1.00 2.40 C ATOM 1857 CG GLU B 147 6.415 1.779 17.147 1.00 2.97 C ATOM 1858 CD GLU B 147 7.488 0.708 17.225 1.00 3.47 C ATOM 1859 OE1 GLU B 147 7.401 -0.157 18.119 1.00 4.01 O ATOM 1860 OE2 GLU B 147 8.415 0.736 16.388 1.00 3.71 O ATOM 0 H GLU B 147 6.790 4.983 19.520 1.00 2.27 H new ATOM 0 HA GLU B 147 4.851 2.936 18.969 1.00 2.36 H new ATOM 0 HB2 GLU B 147 6.602 3.899 17.388 1.00 2.40 H new ATOM 0 HB3 GLU B 147 7.793 2.968 18.276 1.00 2.40 H new ATOM 0 HG2 GLU B 147 5.464 1.359 17.475 1.00 2.97 H new ATOM 0 HG3 GLU B 147 6.287 2.084 16.108 1.00 2.97 H new ATOM 1867 N ASN B 148 6.640 2.538 21.502 1.00 2.59 N ATOM 1868 CA ASN B 148 7.036 1.633 22.570 1.00 3.03 C ATOM 1869 C ASN B 148 5.857 1.333 23.507 1.00 3.37 C ATOM 1870 O ASN B 148 5.839 0.302 24.176 1.00 3.85 O ATOM 1871 CB ASN B 148 8.205 2.212 23.367 1.00 3.19 C ATOM 1872 CG ASN B 148 9.507 2.182 22.590 1.00 3.48 C ATOM 1873 OD1 ASN B 148 9.890 1.152 22.035 1.00 3.92 O ATOM 1874 ND2 ASN B 148 10.195 3.317 22.544 1.00 3.79 N ATOM 0 H ASN B 148 6.632 3.524 21.761 1.00 2.59 H new ATOM 0 HA ASN B 148 7.355 0.698 22.109 1.00 3.03 H new ATOM 0 HB2 ASN B 148 7.976 3.240 23.647 1.00 3.19 H new ATOM 0 HB3 ASN B 148 8.324 1.649 24.292 1.00 3.19 H new ATOM 0 HD21 ASN B 148 11.078 3.358 22.034 1.00 3.79 H new ATOM 0 HD22 ASN B 148 9.841 4.148 23.018 1.00 3.79 H new ATOM 1881 N TYR B 149 4.910 2.271 23.593 1.00 3.23 N ATOM 1882 CA TYR B 149 3.748 2.147 24.491 1.00 3.61 C ATOM 1883 C TYR B 149 2.444 2.643 23.844 1.00 3.72 C ATOM 1884 O TYR B 149 1.793 3.538 24.386 1.00 4.14 O ATOM 1885 CB TYR B 149 4.006 2.913 25.794 1.00 3.69 C ATOM 1886 CG TYR B 149 3.002 2.597 26.882 1.00 4.04 C ATOM 1887 CD1 TYR B 149 2.939 1.331 27.450 1.00 4.59 C ATOM 1888 CD2 TYR B 149 2.106 3.562 27.327 1.00 4.26 C ATOM 1889 CE1 TYR B 149 2.013 1.036 28.432 1.00 5.11 C ATOM 1890 CE2 TYR B 149 1.177 3.273 28.309 1.00 4.76 C ATOM 1891 CZ TYR B 149 1.134 2.009 28.858 1.00 5.09 C ATOM 1892 OH TYR B 149 0.210 1.716 29.834 1.00 5.73 O ATOM 0 H TYR B 149 4.922 3.133 23.048 1.00 3.23 H new ATOM 0 HA TYR B 149 3.621 1.085 24.702 1.00 3.61 H new ATOM 0 HB2 TYR B 149 5.008 2.678 26.154 1.00 3.69 H new ATOM 0 HB3 TYR B 149 3.984 3.983 25.589 1.00 3.69 H new ATOM 0 HD1 TYR B 149 3.625 0.565 27.119 1.00 4.59 H new ATOM 0 HD2 TYR B 149 2.136 4.553 26.899 1.00 4.26 H new ATOM 0 HE1 TYR B 149 1.978 0.047 28.864 1.00 5.11 H new ATOM 0 HE2 TYR B 149 0.488 4.034 28.645 1.00 4.76 H new ATOM 0 HH TYR B 149 -0.332 2.511 30.020 1.00 5.73 H new ATOM 1902 N LEU B 150 2.067 2.100 22.680 1.00 3.60 N ATOM 1903 CA LEU B 150 0.849 2.571 21.997 1.00 3.76 C ATOM 1904 C LEU B 150 -0.201 1.463 21.796 1.00 3.71 C ATOM 1905 O LEU B 150 -0.063 0.599 20.932 1.00 3.86 O ATOM 1906 CB LEU B 150 1.214 3.164 20.629 1.00 4.10 C ATOM 1907 CG LEU B 150 2.421 2.529 19.917 1.00 4.74 C ATOM 1908 CD1 LEU B 150 2.171 1.065 19.596 1.00 4.91 C ATOM 1909 CD2 LEU B 150 2.747 3.296 18.642 1.00 5.46 C ATOM 0 H LEU B 150 2.570 1.354 22.199 1.00 3.60 H new ATOM 0 HA LEU B 150 0.406 3.328 22.644 1.00 3.76 H new ATOM 0 HB2 LEU B 150 0.346 3.079 19.975 1.00 4.10 H new ATOM 0 HB3 LEU B 150 1.412 4.228 20.758 1.00 4.10 H new ATOM 0 HG LEU B 150 3.272 2.584 20.595 1.00 4.74 H new ATOM 0 HD11 LEU B 150 3.044 0.648 19.094 1.00 4.91 H new ATOM 0 HD12 LEU B 150 1.988 0.516 20.520 1.00 4.91 H new ATOM 0 HD13 LEU B 150 1.302 0.979 18.944 1.00 4.91 H new ATOM 0 HD21 LEU B 150 3.603 2.835 18.149 1.00 5.46 H new ATOM 0 HD22 LEU B 150 1.887 3.272 17.973 1.00 5.46 H new ATOM 0 HD23 LEU B 150 2.985 4.330 18.890 1.00 5.46 H new ATOM 1921 N PRO B 151 -1.275 1.482 22.620 1.00 3.97 N ATOM 1922 CA PRO B 151 -2.359 0.508 22.575 1.00 4.33 C ATOM 1923 C PRO B 151 -3.624 1.016 21.865 1.00 4.40 C ATOM 1924 O PRO B 151 -4.723 0.918 22.413 1.00 4.80 O ATOM 1925 CB PRO B 151 -2.639 0.316 24.062 1.00 4.97 C ATOM 1926 CG PRO B 151 -2.368 1.659 24.682 1.00 5.02 C ATOM 1927 CD PRO B 151 -1.520 2.446 23.701 1.00 4.41 C ATOM 0 HA PRO B 151 -2.089 -0.388 22.017 1.00 4.33 H new ATOM 0 HB2 PRO B 151 -3.669 0.002 24.233 1.00 4.97 H new ATOM 0 HB3 PRO B 151 -1.996 -0.454 24.489 1.00 4.97 H new ATOM 0 HG2 PRO B 151 -3.302 2.182 24.889 1.00 5.02 H new ATOM 0 HG3 PRO B 151 -1.849 1.545 25.634 1.00 5.02 H new ATOM 0 HD2 PRO B 151 -2.041 3.333 23.339 1.00 4.41 H new ATOM 0 HD3 PRO B 151 -0.590 2.786 24.156 1.00 4.41 H new ATOM 1935 N SER B 152 -3.478 1.557 20.652 1.00 4.26 N ATOM 1936 CA SER B 152 -4.634 2.066 19.899 1.00 4.43 C ATOM 1937 C SER B 152 -4.803 1.340 18.547 1.00 3.85 C ATOM 1938 O SER B 152 -4.999 1.981 17.521 1.00 3.52 O ATOM 1939 CB SER B 152 -4.483 3.576 19.666 1.00 4.91 C ATOM 1940 OG SER B 152 -5.720 4.168 19.308 1.00 5.73 O ATOM 0 H SER B 152 -2.583 1.654 20.173 1.00 4.26 H new ATOM 0 HA SER B 152 -5.527 1.873 20.493 1.00 4.43 H new ATOM 0 HB2 SER B 152 -4.099 4.049 20.570 1.00 4.91 H new ATOM 0 HB3 SER B 152 -3.751 3.753 18.878 1.00 4.91 H new ATOM 0 HG SER B 152 -6.084 3.714 18.519 1.00 5.73 H new ATOM 1946 N PRO B 153 -4.710 -0.011 18.536 1.00 4.04 N ATOM 1947 CA PRO B 153 -4.826 -0.850 17.310 1.00 3.79 C ATOM 1948 C PRO B 153 -6.077 -0.616 16.439 1.00 2.92 C ATOM 1949 O PRO B 153 -7.031 0.019 16.880 1.00 3.04 O ATOM 1950 CB PRO B 153 -4.821 -2.287 17.866 1.00 4.60 C ATOM 1951 CG PRO B 153 -5.052 -2.151 19.333 1.00 5.10 C ATOM 1952 CD PRO B 153 -4.455 -0.843 19.721 1.00 4.86 C ATOM 0 HA PRO B 153 -4.015 -0.608 16.623 1.00 3.79 H new ATOM 0 HB2 PRO B 153 -5.601 -2.890 17.401 1.00 4.60 H new ATOM 0 HB3 PRO B 153 -3.872 -2.782 17.663 1.00 4.60 H new ATOM 0 HG2 PRO B 153 -6.117 -2.178 19.565 1.00 5.10 H new ATOM 0 HG3 PRO B 153 -4.586 -2.971 19.879 1.00 5.10 H new ATOM 0 HD2 PRO B 153 -4.925 -0.432 20.614 1.00 4.86 H new ATOM 0 HD3 PRO B 153 -3.389 -0.931 19.933 1.00 4.86 H new ATOM 1960 N CYS B 154 -6.060 -1.180 15.186 1.00 2.52 N ATOM 1961 CA CYS B 154 -7.190 -1.088 14.231 1.00 1.97 C ATOM 1962 C CYS B 154 -6.795 -1.216 12.723 1.00 2.15 C ATOM 1963 O CYS B 154 -6.875 -0.218 12.005 1.00 2.65 O ATOM 1964 CB CYS B 154 -7.935 0.242 14.414 1.00 2.30 C ATOM 1965 SG CYS B 154 -6.867 1.727 14.538 1.00 2.68 S ATOM 0 H CYS B 154 -5.263 -1.704 14.824 1.00 2.52 H new ATOM 0 HA CYS B 154 -7.819 -1.946 14.469 1.00 1.97 H new ATOM 0 HB2 CYS B 154 -8.618 0.375 13.575 1.00 2.30 H new ATOM 0 HB3 CYS B 154 -8.545 0.177 15.315 1.00 2.30 H new ATOM 1970 N GLN B 155 -6.410 -2.420 12.194 1.00 2.16 N ATOM 1971 CA GLN B 155 -6.085 -2.524 10.760 1.00 2.64 C ATOM 1972 C GLN B 155 -5.070 -1.471 10.315 1.00 2.19 C ATOM 1973 O GLN B 155 -4.554 -0.712 11.134 1.00 2.43 O ATOM 1974 CB GLN B 155 -7.355 -2.387 9.919 1.00 3.40 C ATOM 1975 CG GLN B 155 -7.395 -3.333 8.731 1.00 4.33 C ATOM 1976 CD GLN B 155 -8.144 -2.751 7.548 1.00 5.12 C ATOM 1977 OE1 GLN B 155 -7.541 -2.211 6.622 1.00 5.61 O ATOM 1978 NE2 GLN B 155 -9.469 -2.856 7.575 1.00 5.63 N ATOM 0 H GLN B 155 -6.324 -3.288 12.723 1.00 2.16 H new ATOM 0 HA GLN B 155 -5.637 -3.506 10.607 1.00 2.64 H new ATOM 0 HB2 GLN B 155 -8.223 -2.573 10.552 1.00 3.40 H new ATOM 0 HB3 GLN B 155 -7.436 -1.361 9.560 1.00 3.40 H new ATOM 0 HG2 GLN B 155 -6.376 -3.574 8.428 1.00 4.33 H new ATOM 0 HG3 GLN B 155 -7.868 -4.268 9.031 1.00 4.33 H new ATOM 0 HE21 GLN B 155 -9.928 -3.312 8.363 1.00 5.63 H new ATOM 0 HE22 GLN B 155 -10.026 -2.481 6.807 1.00 5.63 H new ATOM 1987 N SER B 156 -4.782 -1.432 9.004 1.00 2.21 N ATOM 1988 CA SER B 156 -3.822 -0.469 8.472 1.00 2.03 C ATOM 1989 C SER B 156 -3.871 -0.336 6.940 1.00 1.77 C ATOM 1990 O SER B 156 -4.952 -0.324 6.344 1.00 2.17 O ATOM 1991 CB SER B 156 -2.424 -0.817 8.965 1.00 2.58 C ATOM 1992 OG SER B 156 -2.354 -0.646 10.365 1.00 3.11 O ATOM 0 H SER B 156 -5.197 -2.050 8.306 1.00 2.21 H new ATOM 0 HA SER B 156 -4.103 0.514 8.849 1.00 2.03 H new ATOM 0 HB2 SER B 156 -2.182 -1.847 8.703 1.00 2.58 H new ATOM 0 HB3 SER B 156 -1.687 -0.181 8.474 1.00 2.58 H new ATOM 0 HG SER B 156 -3.167 -0.199 10.681 1.00 3.11 H new ATOM 1998 N GLY B 157 -2.707 -0.302 6.284 1.00 1.55 N ATOM 1999 CA GLY B 157 -2.672 -0.209 4.848 1.00 1.82 C ATOM 2000 C GLY B 157 -1.482 -0.956 4.319 1.00 1.65 C ATOM 2001 O GLY B 157 -0.350 -0.707 4.747 1.00 2.07 O ATOM 0 H GLY B 157 -1.792 -0.338 6.733 1.00 1.55 H new ATOM 0 HA2 GLY B 157 -3.589 -0.621 4.425 1.00 1.82 H new ATOM 0 HA3 GLY B 157 -2.622 0.836 4.543 1.00 1.82 H new ATOM 2005 N GLN B 158 -1.711 -1.873 3.389 1.00 1.33 N ATOM 2006 CA GLN B 158 -0.595 -2.612 2.853 1.00 1.42 C ATOM 2007 C GLN B 158 -0.380 -2.245 1.402 1.00 1.04 C ATOM 2008 O GLN B 158 -0.560 -3.048 0.494 1.00 0.95 O ATOM 2009 CB GLN B 158 -0.917 -4.105 2.958 1.00 1.93 C ATOM 2010 CG GLN B 158 -2.311 -4.456 2.442 1.00 2.76 C ATOM 2011 CD GLN B 158 -2.418 -5.889 1.957 1.00 3.57 C ATOM 2012 OE1 GLN B 158 -1.545 -6.379 1.240 1.00 3.89 O ATOM 2013 NE2 GLN B 158 -3.490 -6.568 2.348 1.00 4.34 N ATOM 0 H GLN B 158 -2.626 -2.112 3.007 1.00 1.33 H new ATOM 0 HA GLN B 158 0.311 -2.375 3.411 1.00 1.42 H new ATOM 0 HB2 GLN B 158 -0.175 -4.671 2.395 1.00 1.93 H new ATOM 0 HB3 GLN B 158 -0.833 -4.416 3.999 1.00 1.93 H new ATOM 0 HG2 GLN B 158 -3.039 -4.291 3.236 1.00 2.76 H new ATOM 0 HG3 GLN B 158 -2.571 -3.781 1.626 1.00 2.76 H new ATOM 0 HE21 GLN B 158 -4.188 -6.121 2.942 1.00 4.34 H new ATOM 0 HE22 GLN B 158 -3.615 -7.537 2.054 1.00 4.34 H new ATOM 2022 N LYS B 159 0.040 -1.009 1.221 1.00 1.15 N ATOM 2023 CA LYS B 159 0.425 -0.468 -0.077 1.00 1.13 C ATOM 2024 C LYS B 159 1.928 -0.204 -0.166 1.00 0.95 C ATOM 2025 O LYS B 159 2.304 0.966 -0.210 1.00 0.91 O ATOM 2026 CB LYS B 159 -0.412 0.732 -0.437 1.00 1.54 C ATOM 2027 CG LYS B 159 -0.840 0.755 -1.896 1.00 1.91 C ATOM 2028 CD LYS B 159 -1.961 -0.237 -2.180 1.00 2.18 C ATOM 2029 CE LYS B 159 -1.609 -1.164 -3.333 1.00 2.81 C ATOM 2030 NZ LYS B 159 -1.308 -2.544 -2.861 1.00 3.54 N ATOM 0 H LYS B 159 0.127 -0.336 1.983 1.00 1.15 H new ATOM 0 HA LYS B 159 0.217 -1.228 -0.830 1.00 1.13 H new ATOM 0 HB2 LYS B 159 -1.300 0.749 0.195 1.00 1.54 H new ATOM 0 HB3 LYS B 159 0.152 1.638 -0.217 1.00 1.54 H new ATOM 0 HG2 LYS B 159 -1.170 1.760 -2.161 1.00 1.91 H new ATOM 0 HG3 LYS B 159 0.017 0.524 -2.528 1.00 1.91 H new ATOM 0 HD2 LYS B 159 -2.161 -0.827 -1.286 1.00 2.18 H new ATOM 0 HD3 LYS B 159 -2.877 0.305 -2.415 1.00 2.18 H new ATOM 0 HE2 LYS B 159 -2.437 -1.195 -4.041 1.00 2.81 H new ATOM 0 HE3 LYS B 159 -0.747 -0.767 -3.869 1.00 2.81 H new ATOM 0 HZ1 LYS B 159 -1.356 -3.204 -3.664 1.00 3.54 H new ATOM 0 HZ2 LYS B 159 -0.353 -2.569 -2.449 1.00 3.54 H new ATOM 0 HZ3 LYS B 159 -2.004 -2.824 -2.140 1.00 3.54 H new ATOM 2044 N PRO B 160 2.810 -1.190 -0.091 1.00 1.05 N ATOM 2045 CA PRO B 160 4.257 -0.939 -0.079 1.00 1.14 C ATOM 2046 C PRO B 160 4.816 -0.123 -1.248 1.00 1.10 C ATOM 2047 O PRO B 160 5.325 -0.667 -2.228 1.00 1.23 O ATOM 2048 CB PRO B 160 4.872 -2.338 -0.056 1.00 1.46 C ATOM 2049 CG PRO B 160 3.756 -3.250 -0.446 1.00 1.51 C ATOM 2050 CD PRO B 160 2.512 -2.603 0.086 1.00 1.27 C ATOM 0 HA PRO B 160 4.504 -0.312 0.778 1.00 1.14 H new ATOM 0 HB2 PRO B 160 5.707 -2.415 -0.752 1.00 1.46 H new ATOM 0 HB3 PRO B 160 5.258 -2.585 0.933 1.00 1.46 H new ATOM 0 HG2 PRO B 160 3.705 -3.369 -1.528 1.00 1.51 H new ATOM 0 HG3 PRO B 160 3.894 -4.245 -0.022 1.00 1.51 H new ATOM 0 HD2 PRO B 160 1.624 -2.906 -0.469 1.00 1.27 H new ATOM 0 HD3 PRO B 160 2.335 -2.855 1.132 1.00 1.27 H new ATOM 2058 N CYS B 161 4.774 1.189 -1.074 1.00 1.09 N ATOM 2059 CA CYS B 161 5.335 2.146 -2.023 1.00 1.15 C ATOM 2060 C CYS B 161 6.705 2.558 -1.490 1.00 1.37 C ATOM 2061 O CYS B 161 7.125 2.081 -0.441 1.00 1.58 O ATOM 2062 CB CYS B 161 4.451 3.402 -2.156 1.00 1.32 C ATOM 2063 SG CYS B 161 2.671 3.132 -1.852 1.00 1.58 S ATOM 0 H CYS B 161 4.344 1.628 -0.260 1.00 1.09 H new ATOM 0 HA CYS B 161 5.400 1.683 -3.008 1.00 1.15 H new ATOM 0 HB2 CYS B 161 4.812 4.157 -1.458 1.00 1.32 H new ATOM 0 HB3 CYS B 161 4.575 3.810 -3.159 1.00 1.32 H new ATOM 2068 N GLY B 162 7.384 3.458 -2.172 1.00 1.57 N ATOM 2069 CA GLY B 162 8.658 3.942 -1.680 1.00 1.88 C ATOM 2070 C GLY B 162 9.636 2.844 -1.323 1.00 2.05 C ATOM 2071 O GLY B 162 9.450 1.680 -1.685 1.00 2.37 O ATOM 0 H GLY B 162 7.081 3.865 -3.057 1.00 1.57 H new ATOM 0 HA2 GLY B 162 9.108 4.584 -2.437 1.00 1.88 H new ATOM 0 HA3 GLY B 162 8.485 4.561 -0.800 1.00 1.88 H new ATOM 2075 N SER B 163 10.702 3.244 -0.626 1.00 2.40 N ATOM 2076 CA SER B 163 11.777 2.327 -0.216 1.00 2.93 C ATOM 2077 C SER B 163 11.441 1.613 1.094 1.00 2.71 C ATOM 2078 O SER B 163 12.141 1.721 2.099 1.00 3.29 O ATOM 2079 CB SER B 163 13.102 3.082 -0.085 1.00 3.81 C ATOM 2080 OG SER B 163 14.198 2.185 -0.066 1.00 4.07 O ATOM 0 H SER B 163 10.848 4.209 -0.329 1.00 2.40 H new ATOM 0 HA SER B 163 11.876 1.568 -0.992 1.00 2.93 H new ATOM 0 HB2 SER B 163 13.212 3.778 -0.917 1.00 3.81 H new ATOM 0 HB3 SER B 163 13.098 3.676 0.829 1.00 3.81 H new ATOM 0 HG SER B 163 15.033 2.691 0.017 1.00 4.07 H new ATOM 2086 N GLY B 164 10.323 0.891 1.027 1.00 2.12 N ATOM 2087 CA GLY B 164 9.761 0.111 2.102 1.00 2.11 C ATOM 2088 C GLY B 164 8.463 0.663 2.731 1.00 1.92 C ATOM 2089 O GLY B 164 8.087 0.157 3.794 1.00 2.20 O ATOM 0 H GLY B 164 9.766 0.839 0.174 1.00 2.12 H new ATOM 0 HA2 GLY B 164 9.562 -0.894 1.730 1.00 2.11 H new ATOM 0 HA3 GLY B 164 10.511 0.018 2.887 1.00 2.11 H new ATOM 2093 N GLY B 165 7.815 1.671 2.198 1.00 1.61 N ATOM 2094 CA GLY B 165 6.648 2.165 2.909 1.00 1.60 C ATOM 2095 C GLY B 165 5.321 1.740 2.343 1.00 1.42 C ATOM 2096 O GLY B 165 5.143 1.682 1.136 1.00 1.62 O ATOM 0 H GLY B 165 8.051 2.146 1.327 1.00 1.61 H new ATOM 0 HA2 GLY B 165 6.706 1.831 3.945 1.00 1.60 H new ATOM 0 HA3 GLY B 165 6.686 3.254 2.923 1.00 1.60 H new ATOM 2100 N ARG B 166 4.384 1.457 3.251 1.00 1.16 N ATOM 2101 CA ARG B 166 3.029 1.060 2.888 1.00 1.03 C ATOM 2102 C ARG B 166 2.099 2.266 2.961 1.00 0.95 C ATOM 2103 O ARG B 166 2.385 3.218 3.682 1.00 1.04 O ATOM 2104 CB ARG B 166 2.500 -0.087 3.754 1.00 1.08 C ATOM 2105 CG ARG B 166 2.998 -0.063 5.190 1.00 1.23 C ATOM 2106 CD ARG B 166 4.350 -0.736 5.321 1.00 1.39 C ATOM 2107 NE ARG B 166 4.238 -2.191 5.274 1.00 1.79 N ATOM 2108 CZ ARG B 166 5.240 -3.021 5.540 1.00 2.31 C ATOM 2109 NH1 ARG B 166 6.435 -2.546 5.873 1.00 2.54 N ATOM 2110 NH2 ARG B 166 5.048 -4.331 5.475 1.00 3.05 N ATOM 0 H ARG B 166 4.547 1.498 4.257 1.00 1.16 H new ATOM 0 HA ARG B 166 3.060 0.687 1.864 1.00 1.03 H new ATOM 0 HB2 ARG B 166 1.411 -0.052 3.758 1.00 1.08 H new ATOM 0 HB3 ARG B 166 2.787 -1.034 3.297 1.00 1.08 H new ATOM 0 HG2 ARG B 166 3.069 0.969 5.534 1.00 1.23 H new ATOM 0 HG3 ARG B 166 2.277 -0.565 5.835 1.00 1.23 H new ATOM 0 HD2 ARG B 166 5.005 -0.396 4.519 1.00 1.39 H new ATOM 0 HD3 ARG B 166 4.815 -0.437 6.260 1.00 1.39 H new ATOM 0 HE ARG B 166 3.336 -2.594 5.022 1.00 1.79 H new ATOM 0 HH11 ARG B 166 6.587 -1.539 5.926 1.00 2.54 H new ATOM 0 HH12 ARG B 166 7.201 -3.189 6.076 1.00 2.54 H new ATOM 0 HH21 ARG B 166 4.132 -4.700 5.221 1.00 3.05 H new ATOM 0 HH22 ARG B 166 5.817 -4.970 5.679 1.00 3.05 H new ATOM 2124 N CYS B 167 1.004 2.254 2.192 1.00 0.87 N ATOM 2125 CA CYS B 167 0.084 3.369 2.171 1.00 0.88 C ATOM 2126 C CYS B 167 -0.233 3.864 3.557 1.00 0.88 C ATOM 2127 O CYS B 167 -0.965 3.222 4.308 1.00 0.93 O ATOM 2128 CB CYS B 167 -1.229 2.987 1.499 1.00 0.94 C ATOM 2129 SG CYS B 167 -2.118 4.389 0.773 1.00 1.56 S ATOM 0 H CYS B 167 0.744 1.480 1.581 1.00 0.87 H new ATOM 0 HA CYS B 167 0.581 4.159 1.608 1.00 0.88 H new ATOM 0 HB2 CYS B 167 -1.026 2.254 0.718 1.00 0.94 H new ATOM 0 HB3 CYS B 167 -1.873 2.501 2.232 1.00 0.94 H new ATOM 2134 N ALA B 168 0.267 5.036 3.874 1.00 0.90 N ATOM 2135 CA ALA B 168 -0.018 5.633 5.154 1.00 0.95 C ATOM 2136 C ALA B 168 -1.128 6.671 4.961 1.00 0.96 C ATOM 2137 O ALA B 168 -1.761 7.129 5.911 1.00 1.04 O ATOM 2138 CB ALA B 168 1.246 6.188 5.794 1.00 0.96 C ATOM 0 H ALA B 168 0.869 5.591 3.266 1.00 0.90 H new ATOM 0 HA ALA B 168 -0.380 4.886 5.860 1.00 0.95 H new ATOM 0 HB1 ALA B 168 1.001 6.632 6.759 1.00 0.96 H new ATOM 0 HB2 ALA B 168 1.965 5.382 5.938 1.00 0.96 H new ATOM 0 HB3 ALA B 168 1.679 6.948 5.144 1.00 0.96 H new ATOM 2144 N ALA B 169 -1.333 7.021 3.684 1.00 0.90 N ATOM 2145 CA ALA B 169 -2.355 8.002 3.286 1.00 0.94 C ATOM 2146 C ALA B 169 -2.574 7.994 1.774 1.00 0.91 C ATOM 2147 O ALA B 169 -1.739 7.488 1.021 1.00 0.87 O ATOM 2148 CB ALA B 169 -1.989 9.400 3.749 1.00 0.98 C ATOM 0 H ALA B 169 -0.801 6.637 2.903 1.00 0.90 H new ATOM 0 HA ALA B 169 -3.286 7.709 3.772 1.00 0.94 H new ATOM 0 HB1 ALA B 169 -2.764 10.101 3.439 1.00 0.98 H new ATOM 0 HB2 ALA B 169 -1.902 9.412 4.835 1.00 0.98 H new ATOM 0 HB3 ALA B 169 -1.037 9.693 3.306 1.00 0.98 H new ATOM 2154 N ALA B 170 -3.704 8.548 1.330 1.00 0.98 N ATOM 2155 CA ALA B 170 -4.024 8.586 -0.099 1.00 1.00 C ATOM 2156 C ALA B 170 -3.177 9.591 -0.861 1.00 1.04 C ATOM 2157 O ALA B 170 -3.646 10.664 -1.247 1.00 1.25 O ATOM 2158 CB ALA B 170 -5.492 8.876 -0.336 1.00 1.15 C ATOM 0 H ALA B 170 -4.408 8.973 1.933 1.00 0.98 H new ATOM 0 HA ALA B 170 -3.792 7.592 -0.481 1.00 1.00 H new ATOM 0 HB1 ALA B 170 -5.691 8.896 -1.408 1.00 1.15 H new ATOM 0 HB2 ALA B 170 -6.096 8.098 0.130 1.00 1.15 H new ATOM 0 HB3 ALA B 170 -5.747 9.843 0.098 1.00 1.15 H new ATOM 2164 N GLY B 171 -1.932 9.225 -1.078 1.00 1.15 N ATOM 2165 CA GLY B 171 -1.008 10.070 -1.801 1.00 1.28 C ATOM 2166 C GLY B 171 0.428 9.662 -1.596 1.00 1.22 C ATOM 2167 O GLY B 171 1.188 9.532 -2.542 1.00 1.29 O ATOM 0 H GLY B 171 -1.535 8.341 -0.761 1.00 1.15 H new ATOM 0 HA2 GLY B 171 -1.244 10.035 -2.865 1.00 1.28 H new ATOM 0 HA3 GLY B 171 -1.138 11.103 -1.480 1.00 1.28 H new ATOM 2171 N ILE B 172 0.798 9.557 -0.336 1.00 1.13 N ATOM 2172 CA ILE B 172 2.170 9.256 0.075 1.00 1.09 C ATOM 2173 C ILE B 172 2.232 8.013 0.982 1.00 1.02 C ATOM 2174 O ILE B 172 1.378 7.768 1.853 1.00 1.34 O ATOM 2175 CB ILE B 172 2.796 10.497 0.763 1.00 1.53 C ATOM 2176 CG1 ILE B 172 1.699 11.484 1.169 1.00 1.09 C ATOM 2177 CG2 ILE B 172 3.793 11.174 -0.166 1.00 2.27 C ATOM 2178 CD1 ILE B 172 0.814 10.892 2.212 1.00 0.91 C ATOM 0 H ILE B 172 0.154 9.678 0.446 1.00 1.13 H new ATOM 0 HA ILE B 172 2.754 9.021 -0.815 1.00 1.09 H new ATOM 0 HB ILE B 172 3.324 10.168 1.658 1.00 1.53 H new ATOM 0 HG12 ILE B 172 2.151 12.401 1.547 1.00 1.09 H new ATOM 0 HG13 ILE B 172 1.107 11.756 0.295 1.00 1.09 H new ATOM 0 HG21 ILE B 172 4.223 12.043 0.332 1.00 2.27 H new ATOM 0 HG22 ILE B 172 4.587 10.472 -0.421 1.00 2.27 H new ATOM 0 HG23 ILE B 172 3.284 11.493 -1.076 1.00 2.27 H new ATOM 0 HD11 ILE B 172 0.042 11.611 2.485 1.00 0.91 H new ATOM 0 HD12 ILE B 172 0.346 9.988 1.822 1.00 0.91 H new ATOM 0 HD13 ILE B 172 1.406 10.643 3.093 1.00 0.91 H new ATOM 2190 N CYS B 173 3.247 7.206 0.749 1.00 0.81 N ATOM 2191 CA CYS B 173 3.443 5.987 1.505 1.00 1.04 C ATOM 2192 C CYS B 173 4.681 6.104 2.363 1.00 1.06 C ATOM 2193 O CYS B 173 5.796 6.243 1.848 1.00 1.19 O ATOM 2194 CB CYS B 173 3.528 4.762 0.601 1.00 1.17 C ATOM 2195 SG CYS B 173 2.126 4.600 -0.549 1.00 1.94 S ATOM 0 H CYS B 173 3.955 7.375 0.035 1.00 0.81 H new ATOM 0 HA CYS B 173 2.574 5.851 2.148 1.00 1.04 H new ATOM 0 HB2 CYS B 173 4.453 4.809 0.027 1.00 1.17 H new ATOM 0 HB3 CYS B 173 3.583 3.867 1.221 1.00 1.17 H new ATOM 2200 N CYS B 174 4.469 6.117 3.670 1.00 0.97 N ATOM 2201 CA CYS B 174 5.555 6.250 4.612 1.00 0.99 C ATOM 2202 C CYS B 174 6.273 4.921 4.805 1.00 1.16 C ATOM 2203 O CYS B 174 5.667 3.847 4.768 1.00 1.35 O ATOM 2204 CB CYS B 174 5.035 6.795 5.930 1.00 1.12 C ATOM 2205 SG CYS B 174 4.604 8.566 5.857 1.00 1.26 S ATOM 0 H CYS B 174 3.547 6.036 4.098 1.00 0.97 H new ATOM 0 HA CYS B 174 6.282 6.957 4.212 1.00 0.99 H new ATOM 0 HB2 CYS B 174 4.155 6.226 6.229 1.00 1.12 H new ATOM 0 HB3 CYS B 174 5.790 6.643 6.701 1.00 1.12 H new ATOM 2210 N SER B 175 7.582 5.028 4.978 1.00 1.15 N ATOM 2211 CA SER B 175 8.469 3.887 5.153 1.00 1.38 C ATOM 2212 C SER B 175 9.453 4.198 6.270 1.00 1.29 C ATOM 2213 O SER B 175 9.425 5.300 6.816 1.00 1.12 O ATOM 2214 CB SER B 175 9.237 3.659 3.848 1.00 1.48 C ATOM 2215 OG SER B 175 10.201 4.680 3.644 1.00 2.00 O ATOM 0 H SER B 175 8.066 5.925 5.001 1.00 1.15 H new ATOM 0 HA SER B 175 7.896 2.995 5.406 1.00 1.38 H new ATOM 0 HB2 SER B 175 9.731 2.688 3.877 1.00 1.48 H new ATOM 0 HB3 SER B 175 8.540 3.638 3.010 1.00 1.48 H new ATOM 0 HG SER B 175 10.681 4.514 2.806 1.00 2.00 H new ATOM 2221 N PRO B 176 10.374 3.283 6.614 1.00 1.49 N ATOM 2222 CA PRO B 176 11.358 3.577 7.643 1.00 1.45 C ATOM 2223 C PRO B 176 12.439 4.496 7.074 1.00 1.20 C ATOM 2224 O PRO B 176 13.595 4.459 7.494 1.00 1.25 O ATOM 2225 CB PRO B 176 11.927 2.201 7.996 1.00 1.77 C ATOM 2226 CG PRO B 176 11.770 1.392 6.753 1.00 1.90 C ATOM 2227 CD PRO B 176 10.561 1.939 6.028 1.00 1.81 C ATOM 0 HA PRO B 176 10.946 4.089 8.513 1.00 1.45 H new ATOM 0 HB2 PRO B 176 12.973 2.270 8.293 1.00 1.77 H new ATOM 0 HB3 PRO B 176 11.388 1.752 8.830 1.00 1.77 H new ATOM 0 HG2 PRO B 176 12.661 1.464 6.129 1.00 1.90 H new ATOM 0 HG3 PRO B 176 11.633 0.337 6.992 1.00 1.90 H new ATOM 0 HD2 PRO B 176 10.730 1.992 4.952 1.00 1.81 H new ATOM 0 HD3 PRO B 176 9.684 1.310 6.182 1.00 1.81 H new ATOM 2235 N ASP B 177 12.032 5.322 6.097 1.00 1.01 N ATOM 2236 CA ASP B 177 12.924 6.263 5.437 1.00 0.92 C ATOM 2237 C ASP B 177 12.194 7.573 5.095 1.00 0.83 C ATOM 2238 O ASP B 177 12.717 8.658 5.361 1.00 0.90 O ATOM 2239 CB ASP B 177 13.505 5.628 4.173 1.00 1.18 C ATOM 2240 CG ASP B 177 14.509 4.541 4.498 1.00 1.96 C ATOM 2241 OD1 ASP B 177 14.088 3.469 4.984 1.00 2.51 O ATOM 2242 OD2 ASP B 177 15.716 4.762 4.273 1.00 2.72 O ATOM 0 H ASP B 177 11.074 5.349 5.749 1.00 1.01 H new ATOM 0 HA ASP B 177 13.737 6.505 6.121 1.00 0.92 H new ATOM 0 HB2 ASP B 177 12.697 5.209 3.573 1.00 1.18 H new ATOM 0 HB3 ASP B 177 13.985 6.397 3.568 1.00 1.18 H new ATOM 2247 N GLY B 178 10.986 7.477 4.519 1.00 0.89 N ATOM 2248 CA GLY B 178 10.243 8.683 4.194 1.00 0.87 C ATOM 2249 C GLY B 178 8.816 8.456 3.730 1.00 0.85 C ATOM 2250 O GLY B 178 8.196 7.446 4.050 1.00 0.99 O ATOM 0 H GLY B 178 10.522 6.601 4.278 1.00 0.89 H new ATOM 0 HA2 GLY B 178 10.224 9.327 5.073 1.00 0.87 H new ATOM 0 HA3 GLY B 178 10.780 9.223 3.414 1.00 0.87 H new ATOM 2254 N CYS B 179 8.304 9.424 2.967 1.00 0.78 N ATOM 2255 CA CYS B 179 6.948 9.375 2.424 1.00 0.79 C ATOM 2256 C CYS B 179 7.017 9.933 0.980 1.00 0.77 C ATOM 2257 O CYS B 179 7.810 10.818 0.664 1.00 0.88 O ATOM 2258 CB CYS B 179 5.958 10.039 3.396 1.00 0.92 C ATOM 2259 SG CYS B 179 6.262 9.497 5.143 1.00 1.34 S ATOM 0 H CYS B 179 8.820 10.265 2.709 1.00 0.78 H new ATOM 0 HA CYS B 179 6.546 8.366 2.336 1.00 0.79 H new ATOM 0 HB2 CYS B 179 6.050 11.123 3.328 1.00 0.92 H new ATOM 0 HB3 CYS B 179 4.938 9.787 3.107 1.00 0.92 H new ATOM 2264 N HIS B 180 6.335 9.245 0.081 1.00 0.70 N ATOM 2265 CA HIS B 180 6.481 9.447 -1.348 1.00 0.75 C ATOM 2266 C HIS B 180 5.257 8.987 -2.109 1.00 0.69 C ATOM 2267 O HIS B 180 4.679 7.926 -1.903 1.00 0.66 O ATOM 2268 CB HIS B 180 7.695 8.643 -1.870 1.00 0.89 C ATOM 2269 CG HIS B 180 8.885 9.483 -2.227 1.00 0.94 C ATOM 2270 ND1 HIS B 180 9.514 10.307 -1.324 1.00 1.60 N ATOM 2271 CD2 HIS B 180 9.556 9.632 -3.398 1.00 1.70 C ATOM 2272 CE1 HIS B 180 10.517 10.927 -1.915 1.00 2.03 C ATOM 2273 NE2 HIS B 180 10.567 10.537 -3.175 1.00 2.10 N ATOM 0 H HIS B 180 5.657 8.523 0.326 1.00 0.70 H new ATOM 0 HA HIS B 180 6.620 10.516 -1.509 1.00 0.75 H new ATOM 0 HB2 HIS B 180 7.991 7.920 -1.110 1.00 0.89 H new ATOM 0 HB3 HIS B 180 7.389 8.075 -2.749 1.00 0.89 H new ATOM 0 HD1 HIS B 180 9.246 10.421 -0.347 1.00 1.60 H new ATOM 0 HD2 HIS B 180 9.337 9.133 -4.330 1.00 1.70 H new ATOM 0 HE1 HIS B 180 11.185 11.635 -1.447 1.00 2.03 H new ATOM 2282 N GLU B 181 4.864 9.935 -2.979 1.00 0.75 N ATOM 2283 CA GLU B 181 3.703 9.821 -3.814 1.00 0.77 C ATOM 2284 C GLU B 181 3.666 8.465 -4.452 1.00 0.73 C ATOM 2285 O GLU B 181 4.697 7.909 -4.821 1.00 0.94 O ATOM 2286 CB GLU B 181 3.729 10.904 -4.890 1.00 0.93 C ATOM 2287 CG GLU B 181 4.907 10.765 -5.842 1.00 1.69 C ATOM 2288 CD GLU B 181 4.488 10.784 -7.298 1.00 2.34 C ATOM 2289 OE1 GLU B 181 3.897 9.784 -7.755 1.00 3.06 O ATOM 2290 OE2 GLU B 181 4.749 11.798 -7.979 1.00 2.69 O ATOM 0 H GLU B 181 5.370 10.811 -3.107 1.00 0.75 H new ATOM 0 HA GLU B 181 2.810 9.950 -3.203 1.00 0.77 H new ATOM 0 HB2 GLU B 181 2.801 10.865 -5.460 1.00 0.93 H new ATOM 0 HB3 GLU B 181 3.768 11.883 -4.412 1.00 0.93 H new ATOM 0 HG2 GLU B 181 5.613 11.576 -5.661 1.00 1.69 H new ATOM 0 HG3 GLU B 181 5.431 9.833 -5.631 1.00 1.69 H new ATOM 2297 N ASP B 182 2.481 7.923 -4.544 1.00 0.77 N ATOM 2298 CA ASP B 182 2.308 6.612 -5.112 1.00 0.79 C ATOM 2299 C ASP B 182 0.982 6.554 -5.879 1.00 0.97 C ATOM 2300 O ASP B 182 -0.024 7.099 -5.425 1.00 1.22 O ATOM 2301 CB ASP B 182 2.374 5.592 -3.977 1.00 0.90 C ATOM 2302 CG ASP B 182 1.089 5.543 -3.192 1.00 1.39 C ATOM 2303 OD1 ASP B 182 0.833 6.497 -2.431 1.00 1.88 O ATOM 2304 OD2 ASP B 182 0.343 4.554 -3.335 1.00 2.06 O ATOM 0 H ASP B 182 1.619 8.370 -4.232 1.00 0.77 H new ATOM 0 HA ASP B 182 3.096 6.381 -5.828 1.00 0.79 H new ATOM 0 HB2 ASP B 182 2.587 4.605 -4.388 1.00 0.90 H new ATOM 0 HB3 ASP B 182 3.198 5.844 -3.310 1.00 0.90 H new ATOM 2309 N PRO B 183 0.970 5.938 -7.076 1.00 1.15 N ATOM 2310 CA PRO B 183 -0.237 5.863 -7.919 1.00 1.41 C ATOM 2311 C PRO B 183 -1.437 5.201 -7.246 1.00 1.28 C ATOM 2312 O PRO B 183 -2.579 5.600 -7.480 1.00 1.41 O ATOM 2313 CB PRO B 183 0.218 5.028 -9.115 1.00 1.79 C ATOM 2314 CG PRO B 183 1.697 5.191 -9.157 1.00 1.91 C ATOM 2315 CD PRO B 183 2.134 5.305 -7.726 1.00 1.41 C ATOM 0 HA PRO B 183 -0.593 6.863 -8.166 1.00 1.41 H new ATOM 0 HB2 PRO B 183 -0.061 3.981 -8.995 1.00 1.79 H new ATOM 0 HB3 PRO B 183 -0.244 5.377 -10.039 1.00 1.79 H new ATOM 0 HG2 PRO B 183 2.171 4.339 -9.644 1.00 1.91 H new ATOM 0 HG3 PRO B 183 1.977 6.079 -9.724 1.00 1.91 H new ATOM 0 HD2 PRO B 183 2.358 4.330 -7.293 1.00 1.41 H new ATOM 0 HD3 PRO B 183 3.033 5.913 -7.625 1.00 1.41 H new ATOM 2323 N ALA B 184 -1.185 4.195 -6.419 1.00 1.13 N ATOM 2324 CA ALA B 184 -2.258 3.503 -5.721 1.00 1.18 C ATOM 2325 C ALA B 184 -2.920 4.470 -4.772 1.00 1.22 C ATOM 2326 O ALA B 184 -4.133 4.684 -4.810 1.00 1.56 O ATOM 2327 CB ALA B 184 -1.724 2.291 -4.974 1.00 1.21 C ATOM 0 H ALA B 184 -0.250 3.842 -6.216 1.00 1.13 H new ATOM 0 HA ALA B 184 -2.990 3.143 -6.443 1.00 1.18 H new ATOM 0 HB1 ALA B 184 -2.544 1.790 -4.460 1.00 1.21 H new ATOM 0 HB2 ALA B 184 -1.264 1.601 -5.681 1.00 1.21 H new ATOM 0 HB3 ALA B 184 -0.981 2.612 -4.244 1.00 1.21 H new ATOM 2333 N CYS B 185 -2.090 5.106 -3.970 1.00 1.05 N ATOM 2334 CA CYS B 185 -2.554 6.122 -3.057 1.00 1.23 C ATOM 2335 C CYS B 185 -2.279 7.445 -3.706 1.00 1.50 C ATOM 2336 O CYS B 185 -1.306 8.109 -3.372 1.00 1.94 O ATOM 2337 CB CYS B 185 -1.839 6.064 -1.705 1.00 1.19 C ATOM 2338 SG CYS B 185 -1.459 4.384 -1.139 1.00 1.46 S ATOM 0 H CYS B 185 -1.085 4.933 -3.935 1.00 1.05 H new ATOM 0 HA CYS B 185 -3.615 5.969 -2.858 1.00 1.23 H new ATOM 0 HB2 CYS B 185 -0.911 6.632 -1.772 1.00 1.19 H new ATOM 0 HB3 CYS B 185 -2.460 6.556 -0.956 1.00 1.19 H new ATOM 2343 N ASP B 186 -3.102 7.817 -4.666 1.00 1.54 N ATOM 2344 CA ASP B 186 -2.877 9.076 -5.351 1.00 1.92 C ATOM 2345 C ASP B 186 -4.149 9.870 -5.406 1.00 1.82 C ATOM 2346 O ASP B 186 -4.198 11.025 -4.982 1.00 2.28 O ATOM 2347 CB ASP B 186 -2.359 8.853 -6.766 1.00 2.44 C ATOM 2348 CG ASP B 186 -1.283 9.850 -7.146 1.00 3.09 C ATOM 2349 OD1 ASP B 186 -0.190 9.801 -6.544 1.00 3.49 O ATOM 2350 OD2 ASP B 186 -1.536 10.684 -8.039 1.00 3.61 O ATOM 0 H ASP B 186 -3.911 7.284 -4.984 1.00 1.54 H new ATOM 0 HA ASP B 186 -2.123 9.628 -4.790 1.00 1.92 H new ATOM 0 HB2 ASP B 186 -1.961 7.842 -6.850 1.00 2.44 H new ATOM 0 HB3 ASP B 186 -3.187 8.929 -7.470 1.00 2.44 H new ATOM 2355 N PRO B 187 -5.207 9.265 -5.939 1.00 1.73 N ATOM 2356 CA PRO B 187 -6.470 9.915 -6.060 1.00 2.05 C ATOM 2357 C PRO B 187 -7.367 9.696 -4.853 1.00 2.17 C ATOM 2358 O PRO B 187 -7.166 8.804 -4.026 1.00 2.31 O ATOM 2359 CB PRO B 187 -7.082 9.265 -7.316 1.00 2.47 C ATOM 2360 CG PRO B 187 -6.228 8.071 -7.633 1.00 2.58 C ATOM 2361 CD PRO B 187 -5.273 7.907 -6.486 1.00 1.99 C ATOM 0 HA PRO B 187 -6.363 10.998 -6.128 1.00 2.05 H new ATOM 0 HB2 PRO B 187 -8.115 8.967 -7.135 1.00 2.47 H new ATOM 0 HB3 PRO B 187 -7.094 9.967 -8.150 1.00 2.47 H new ATOM 0 HG2 PRO B 187 -6.841 7.178 -7.757 1.00 2.58 H new ATOM 0 HG3 PRO B 187 -5.688 8.219 -8.568 1.00 2.58 H new ATOM 0 HD2 PRO B 187 -5.639 7.190 -5.751 1.00 1.99 H new ATOM 0 HD3 PRO B 187 -4.296 7.554 -6.817 1.00 1.99 H new ATOM 2369 N GLU B 188 -8.382 10.512 -4.839 1.00 2.54 N ATOM 2370 CA GLU B 188 -9.472 10.568 -3.880 1.00 3.18 C ATOM 2371 C GLU B 188 -10.415 9.413 -4.106 1.00 3.47 C ATOM 2372 O GLU B 188 -11.498 9.352 -3.537 1.00 4.08 O ATOM 2373 CB GLU B 188 -10.276 11.853 -4.121 1.00 3.61 C ATOM 2374 CG GLU B 188 -10.881 11.909 -5.530 1.00 3.52 C ATOM 2375 CD GLU B 188 -11.985 12.941 -5.673 1.00 4.20 C ATOM 2376 OE1 GLU B 188 -11.666 14.146 -5.728 1.00 4.57 O ATOM 2377 OE2 GLU B 188 -13.168 12.542 -5.742 1.00 4.70 O ATOM 0 H GLU B 188 -8.486 11.225 -5.561 1.00 2.54 H new ATOM 0 HA GLU B 188 -9.057 10.534 -2.873 1.00 3.18 H new ATOM 0 HB2 GLU B 188 -11.075 11.922 -3.383 1.00 3.61 H new ATOM 0 HB3 GLU B 188 -9.628 12.717 -3.972 1.00 3.61 H new ATOM 0 HG2 GLU B 188 -10.091 12.131 -6.248 1.00 3.52 H new ATOM 0 HG3 GLU B 188 -11.277 10.926 -5.786 1.00 3.52 H new ATOM 2384 N ALA B 189 -9.899 8.407 -4.821 1.00 3.25 N ATOM 2385 CA ALA B 189 -10.566 7.154 -5.079 1.00 3.84 C ATOM 2386 C ALA B 189 -10.807 6.325 -3.808 1.00 4.73 C ATOM 2387 O ALA B 189 -10.806 5.103 -3.872 1.00 5.24 O ATOM 2388 CB ALA B 189 -9.664 6.355 -6.024 1.00 3.45 C ATOM 0 H ALA B 189 -8.973 8.458 -5.245 1.00 3.25 H new ATOM 0 HA ALA B 189 -11.547 7.365 -5.505 1.00 3.84 H new ATOM 0 HB1 ALA B 189 -10.130 5.396 -6.248 1.00 3.45 H new ATOM 0 HB2 ALA B 189 -9.521 6.913 -6.949 1.00 3.45 H new ATOM 0 HB3 ALA B 189 -8.698 6.187 -5.549 1.00 3.45 H new ATOM 2394 N ALA B 190 -10.999 6.969 -2.661 1.00 5.07 N ATOM 2395 CA ALA B 190 -11.241 6.249 -1.417 1.00 6.09 C ATOM 2396 C ALA B 190 -12.655 5.647 -1.371 1.00 6.88 C ATOM 2397 O ALA B 190 -13.550 6.057 -2.106 1.00 6.93 O ATOM 2398 CB ALA B 190 -11.022 7.169 -0.228 1.00 6.41 C ATOM 0 H ALA B 190 -10.992 7.985 -2.568 1.00 5.07 H new ATOM 0 HA ALA B 190 -10.531 5.424 -1.369 1.00 6.09 H new ATOM 0 HB1 ALA B 190 -11.206 6.620 0.696 1.00 6.41 H new ATOM 0 HB2 ALA B 190 -9.995 7.534 -0.235 1.00 6.41 H new ATOM 0 HB3 ALA B 190 -11.708 8.014 -0.290 1.00 6.41 H new ATOM 2404 N PHE B 191 -12.831 4.668 -0.474 1.00 7.61 N ATOM 2405 CA PHE B 191 -14.119 3.990 -0.299 1.00 8.50 C ATOM 2406 C PHE B 191 -15.029 4.759 0.662 1.00 9.34 C ATOM 2407 O PHE B 191 -15.393 4.250 1.724 1.00 9.88 O ATOM 2408 CB PHE B 191 -13.912 2.568 0.247 1.00 8.96 C ATOM 2409 CG PHE B 191 -12.630 1.912 -0.183 1.00 9.23 C ATOM 2410 CD1 PHE B 191 -12.543 1.269 -1.406 1.00 9.60 C ATOM 2411 CD2 PHE B 191 -11.517 1.934 0.640 1.00 9.37 C ATOM 2412 CE1 PHE B 191 -11.367 0.662 -1.801 1.00 10.04 C ATOM 2413 CE2 PHE B 191 -10.338 1.329 0.250 1.00 9.84 C ATOM 2414 CZ PHE B 191 -10.262 0.692 -0.972 1.00 10.14 C ATOM 0 H PHE B 191 -12.094 4.328 0.143 1.00 7.61 H new ATOM 0 HA PHE B 191 -14.594 3.945 -1.279 1.00 8.50 H new ATOM 0 HB2 PHE B 191 -13.939 2.604 1.336 1.00 8.96 H new ATOM 0 HB3 PHE B 191 -14.748 1.945 -0.072 1.00 8.96 H new ATOM 0 HD1 PHE B 191 -13.404 1.242 -2.058 1.00 9.60 H new ATOM 0 HD2 PHE B 191 -11.571 2.430 1.598 1.00 9.37 H new ATOM 0 HE1 PHE B 191 -11.311 0.164 -2.758 1.00 10.04 H new ATOM 0 HE2 PHE B 191 -9.476 1.354 0.901 1.00 9.84 H new ATOM 0 HZ PHE B 191 -9.341 0.218 -1.279 1.00 10.14 H new ATOM 2424 N SER B 192 -15.412 5.974 0.284 1.00 9.55 N ATOM 2425 CA SER B 192 -16.293 6.784 1.122 1.00 10.42 C ATOM 2426 C SER B 192 -17.756 6.453 0.844 1.00 11.18 C ATOM 2427 O SER B 192 -18.136 6.415 -0.345 1.00 11.41 O ATOM 2428 CB SER B 192 -16.042 8.274 0.886 1.00 10.44 C ATOM 2429 OG SER B 192 -15.992 8.570 -0.498 1.00 10.49 O ATOM 2430 OXT SER B 192 -18.508 6.234 1.817 1.00 11.70 O ATOM 0 H SER B 192 -15.130 6.418 -0.590 1.00 9.55 H new ATOM 0 HA SER B 192 -16.073 6.552 2.164 1.00 10.42 H new ATOM 0 HB2 SER B 192 -16.832 8.858 1.358 1.00 10.44 H new ATOM 0 HB3 SER B 192 -15.104 8.567 1.358 1.00 10.44 H new ATOM 0 HG SER B 192 -16.580 7.956 -0.985 1.00 10.49 H new TER 2436 SER B 192