USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1037 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 THR OG1 : rot 160:sc= 1.59 USER MOD Set 1.2: B 15 MET CE :methyl -112:sc= -0.668 (180deg=-1.73) USER MOD Set 1.3: B 17 ASN : amide:sc= -2.17! C(o=-1.2!,f=-7.7!) USER MOD Set 2.1: A 17 ASN : amide:sc= -2.27! C(o=-0.67!,f=-6.8!) USER MOD Set 2.2: B 81 THR OG1 : rot 153:sc= 1.6 USER MOD Single : A 18 LYS NZ :NH3+ 173:sc= 0.493 (180deg=0.471) USER MOD Single : A 19 LYS NZ :NH3+ -116:sc= 1.17 (180deg=-0.673) USER MOD Single : A 23 TYR OH : rot 180:sc= 0.279 USER MOD Single : A 27 GLN : amide:sc= -0.922 K(o=-0.92,f=-0.29) USER MOD Single : A 30 HIS : no HE2:sc= 1.06 K(o=1.1,f=-3.2!) USER MOD Single : A 32 GLN : amide:sc= -1.13 K(o=-1.1,f=-0.092) USER MOD Single : A 35 HIS : no HD1:sc= -0.267 X(o=-0.27,f=-0.066) USER MOD Single : A 39 SER OG : rot 180:sc=-0.000445 USER MOD Single : A 40 SER OG : rot 180:sc= 0.0181 USER MOD Single : A 43 GLN : amide:sc= -0.782 X(o=-0.78,f=-0.53) USER MOD Single : A 45 SER OG : rot 67:sc= 1.28 USER MOD Single : A 51 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.08) USER MOD Single : A 52 CYS SG : rot 66:sc= 1.22 USER MOD Single : A 55 THR OG1 : rot 76:sc= 0.0423 USER MOD Single : A 60 THR OG1 : rot -140:sc= -2.58! USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.108) USER MOD Single : B 18 LYS NZ :NH3+ 174:sc= 0.411 (180deg=0.395) USER MOD Single : B 19 LYS NZ :NH3+ -121:sc= 1.25 (180deg=-0.732) USER MOD Single : B 23 TYR OH : rot 180:sc= 0.272 USER MOD Single : B 27 GLN : amide:sc= -0.958 K(o=-0.96,f=-0.33) USER MOD Single : B 30 HIS : no HE2:sc= 1.13 K(o=1.1,f=-3.4!) USER MOD Single : B 32 GLN : amide:sc= -1.05 K(o=-1.1,f=-0.088) USER MOD Single : B 35 HIS : no HD1:sc= -0.262 X(o=-0.26,f=-0.06) USER MOD Single : B 39 SER OG : rot 180:sc=0.000536 USER MOD Single : B 40 SER OG : rot 180:sc= 0.0164 USER MOD Single : B 43 GLN : amide:sc= -0.604 X(o=-0.6,f=-0.42) USER MOD Single : B 45 SER OG : rot 71:sc= 1.26 USER MOD Single : B 51 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.048) USER MOD Single : B 52 CYS SG : rot 67:sc= 1.18 USER MOD Single : B 55 THR OG1 : rot 77:sc= 0.0431 USER MOD Single : B 60 THR OG1 : rot -151:sc= -2.17! USER MOD Single : B 64 SER OG : rot 180:sc= 0 USER MOD Single : B 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 71 THR OG1 : rot 180:sc= 0 USER MOD Single : B 83 LYS NZ :NH3+ -169:sc= -0.0106 (180deg=-0.128) USER MOD ----------------------------------------------------------------- ATOM 20 N ASP A 16 14.783 5.511 -2.526 1.00 1.26 N ATOM 21 CA ASP A 16 13.923 4.345 -2.516 1.00 1.13 C ATOM 22 C ASP A 16 12.641 4.678 -1.772 1.00 0.92 C ATOM 23 O ASP A 16 12.467 4.308 -0.616 1.00 1.01 O ATOM 24 CB ASP A 16 14.624 3.155 -1.855 1.00 1.39 C ATOM 25 CG ASP A 16 15.868 2.711 -2.595 1.00 1.84 C ATOM 26 OD1 ASP A 16 16.953 3.276 -2.337 1.00 2.28 O ATOM 27 OD2 ASP A 16 15.776 1.787 -3.427 1.00 2.40 O ATOM 0 HA ASP A 16 13.690 4.068 -3.544 1.00 1.13 H new ATOM 0 HB2 ASP A 16 14.893 3.421 -0.833 1.00 1.39 H new ATOM 0 HB3 ASP A 16 13.927 2.319 -1.794 1.00 1.39 H new ATOM 32 N ASN A 17 11.753 5.403 -2.429 1.00 0.78 N ATOM 33 CA ASN A 17 10.515 5.836 -1.794 1.00 0.74 C ATOM 34 C ASN A 17 9.445 4.760 -1.904 1.00 0.61 C ATOM 35 O ASN A 17 8.470 4.765 -1.158 1.00 0.65 O ATOM 36 CB ASN A 17 10.003 7.143 -2.411 1.00 0.92 C ATOM 37 CG ASN A 17 9.508 6.975 -3.838 1.00 1.56 C ATOM 38 OD1 ASN A 17 9.991 6.127 -4.588 1.00 2.52 O ATOM 39 ND2 ASN A 17 8.550 7.798 -4.225 1.00 1.71 N ATOM 0 H ASN A 17 11.862 5.705 -3.397 1.00 0.78 H new ATOM 0 HA ASN A 17 10.732 6.012 -0.740 1.00 0.74 H new ATOM 0 HB2 ASN A 17 9.193 7.535 -1.796 1.00 0.92 H new ATOM 0 HB3 ASN A 17 10.803 7.883 -2.395 1.00 0.92 H new ATOM 0 HD21 ASN A 17 8.184 7.744 -5.176 1.00 1.71 H new ATOM 0 HD22 ASN A 17 8.176 8.487 -3.573 1.00 1.71 H new ATOM 46 N LYS A 18 9.639 3.829 -2.826 1.00 0.59 N ATOM 47 CA LYS A 18 8.672 2.765 -3.037 1.00 0.62 C ATOM 48 C LYS A 18 8.711 1.785 -1.871 1.00 0.53 C ATOM 49 O LYS A 18 7.671 1.326 -1.403 1.00 0.48 O ATOM 50 CB LYS A 18 8.930 2.055 -4.370 1.00 0.82 C ATOM 51 CG LYS A 18 8.950 3.005 -5.564 1.00 1.09 C ATOM 52 CD LYS A 18 7.637 3.766 -5.696 1.00 1.04 C ATOM 53 CE LYS A 18 7.750 4.926 -6.675 1.00 1.44 C ATOM 54 NZ LYS A 18 8.018 4.483 -8.069 1.00 1.90 N ATOM 0 H LYS A 18 10.454 3.789 -3.437 1.00 0.59 H new ATOM 0 HA LYS A 18 7.674 3.200 -3.084 1.00 0.62 H new ATOM 0 HB2 LYS A 18 9.884 1.530 -4.316 1.00 0.82 H new ATOM 0 HB3 LYS A 18 8.159 1.300 -4.527 1.00 0.82 H new ATOM 0 HG2 LYS A 18 9.772 3.712 -5.453 1.00 1.09 H new ATOM 0 HG3 LYS A 18 9.137 2.439 -6.477 1.00 1.09 H new ATOM 0 HD2 LYS A 18 6.854 3.085 -6.029 1.00 1.04 H new ATOM 0 HD3 LYS A 18 7.336 4.144 -4.719 1.00 1.04 H new ATOM 0 HE2 LYS A 18 6.826 5.504 -6.654 1.00 1.44 H new ATOM 0 HE3 LYS A 18 8.550 5.592 -6.351 1.00 1.44 H new ATOM 0 HZ1 LYS A 18 7.967 5.301 -8.709 1.00 1.90 H new ATOM 0 HZ2 LYS A 18 8.966 4.060 -8.122 1.00 1.90 H new ATOM 0 HZ3 LYS A 18 7.308 3.778 -8.352 1.00 1.90 H new ATOM 68 N LYS A 19 9.909 1.491 -1.377 1.00 0.60 N ATOM 69 CA LYS A 19 10.047 0.662 -0.187 1.00 0.61 C ATOM 70 C LYS A 19 9.539 1.410 1.043 1.00 0.53 C ATOM 71 O LYS A 19 9.193 0.801 2.052 1.00 0.55 O ATOM 72 CB LYS A 19 11.501 0.189 -0.001 1.00 0.77 C ATOM 73 CG LYS A 19 12.546 1.297 -0.031 1.00 0.82 C ATOM 74 CD LYS A 19 12.748 1.955 1.328 1.00 1.19 C ATOM 75 CE LYS A 19 13.586 1.095 2.261 1.00 1.06 C ATOM 76 NZ LYS A 19 14.994 0.962 1.803 1.00 1.49 N ATOM 0 H LYS A 19 10.790 1.811 -1.778 1.00 0.60 H new ATOM 0 HA LYS A 19 9.434 -0.230 -0.317 1.00 0.61 H new ATOM 0 HB2 LYS A 19 11.578 -0.337 0.951 1.00 0.77 H new ATOM 0 HB3 LYS A 19 11.736 -0.533 -0.783 1.00 0.77 H new ATOM 0 HG2 LYS A 19 13.495 0.886 -0.375 1.00 0.82 H new ATOM 0 HG3 LYS A 19 12.245 2.054 -0.755 1.00 0.82 H new ATOM 0 HD2 LYS A 19 13.233 2.922 1.194 1.00 1.19 H new ATOM 0 HD3 LYS A 19 11.777 2.146 1.786 1.00 1.19 H new ATOM 0 HE2 LYS A 19 13.572 1.529 3.261 1.00 1.06 H new ATOM 0 HE3 LYS A 19 13.137 0.105 2.338 1.00 1.06 H new ATOM 0 HZ1 LYS A 19 15.192 -0.033 1.572 1.00 1.49 H new ATOM 0 HZ2 LYS A 19 15.141 1.549 0.957 1.00 1.49 H new ATOM 0 HZ3 LYS A 19 15.636 1.276 2.558 1.00 1.49 H new ATOM 90 N ARG A 20 9.470 2.734 0.944 1.00 0.54 N ATOM 91 CA ARG A 20 8.921 3.548 2.021 1.00 0.58 C ATOM 92 C ARG A 20 7.409 3.633 1.905 1.00 0.54 C ATOM 93 O ARG A 20 6.724 4.077 2.823 1.00 0.61 O ATOM 94 CB ARG A 20 9.521 4.947 2.029 1.00 0.70 C ATOM 95 CG ARG A 20 11.027 4.959 2.180 1.00 0.82 C ATOM 96 CD ARG A 20 11.485 6.196 2.921 1.00 1.01 C ATOM 97 NE ARG A 20 12.861 6.561 2.590 1.00 1.31 N ATOM 98 CZ ARG A 20 13.289 7.819 2.480 1.00 1.45 C ATOM 99 NH1 ARG A 20 12.461 8.831 2.723 1.00 1.32 N ATOM 100 NH2 ARG A 20 14.543 8.067 2.130 1.00 2.34 N ATOM 0 H ARG A 20 9.786 3.264 0.132 1.00 0.54 H new ATOM 0 HA ARG A 20 9.182 3.064 2.962 1.00 0.58 H new ATOM 0 HB2 ARG A 20 9.253 5.454 1.102 1.00 0.70 H new ATOM 0 HB3 ARG A 20 9.078 5.519 2.844 1.00 0.70 H new ATOM 0 HG2 ARG A 20 11.350 4.068 2.718 1.00 0.82 H new ATOM 0 HG3 ARG A 20 11.495 4.925 1.196 1.00 0.82 H new ATOM 0 HD2 ARG A 20 10.823 7.028 2.680 1.00 1.01 H new ATOM 0 HD3 ARG A 20 11.405 6.025 3.994 1.00 1.01 H new ATOM 0 HE ARG A 20 13.533 5.810 2.434 1.00 1.31 H new ATOM 0 HH11 ARG A 20 11.495 8.646 2.994 1.00 1.32 H new ATOM 0 HH12 ARG A 20 12.792 9.792 2.638 1.00 1.32 H new ATOM 0 HH21 ARG A 20 15.183 7.295 1.944 1.00 2.34 H new ATOM 0 HH22 ARG A 20 14.868 9.030 2.046 1.00 2.34 H new ATOM 114 N LEU A 21 6.886 3.225 0.766 1.00 0.54 N ATOM 115 CA LEU A 21 5.455 3.076 0.629 1.00 0.59 C ATOM 116 C LEU A 21 5.016 1.814 1.360 1.00 0.57 C ATOM 117 O LEU A 21 3.950 1.775 1.965 1.00 0.64 O ATOM 118 CB LEU A 21 5.045 3.038 -0.844 1.00 0.64 C ATOM 119 CG LEU A 21 3.574 2.705 -1.106 1.00 0.61 C ATOM 120 CD1 LEU A 21 2.659 3.541 -0.221 1.00 0.70 C ATOM 121 CD2 LEU A 21 3.232 2.955 -2.557 1.00 0.61 C ATOM 0 H LEU A 21 7.425 2.993 -0.068 1.00 0.54 H new ATOM 0 HA LEU A 21 4.957 3.937 1.075 1.00 0.59 H new ATOM 0 HB2 LEU A 21 5.266 4.007 -1.291 1.00 0.64 H new ATOM 0 HB3 LEU A 21 5.664 2.302 -1.357 1.00 0.64 H new ATOM 0 HG LEU A 21 3.423 1.651 -0.871 1.00 0.61 H new ATOM 0 HD11 LEU A 21 1.620 3.285 -0.427 1.00 0.70 H new ATOM 0 HD12 LEU A 21 2.882 3.338 0.827 1.00 0.70 H new ATOM 0 HD13 LEU A 21 2.820 4.599 -0.428 1.00 0.70 H new ATOM 0 HD21 LEU A 21 2.183 2.714 -2.730 1.00 0.61 H new ATOM 0 HD22 LEU A 21 3.408 4.004 -2.797 1.00 0.61 H new ATOM 0 HD23 LEU A 21 3.858 2.328 -3.192 1.00 0.61 H new ATOM 133 N ALA A 22 5.861 0.791 1.329 1.00 0.56 N ATOM 134 CA ALA A 22 5.619 -0.408 2.120 1.00 0.63 C ATOM 135 C ALA A 22 5.617 -0.051 3.595 1.00 0.51 C ATOM 136 O ALA A 22 4.881 -0.639 4.386 1.00 0.44 O ATOM 137 CB ALA A 22 6.672 -1.465 1.840 1.00 0.83 C ATOM 0 H ALA A 22 6.713 0.767 0.769 1.00 0.56 H new ATOM 0 HA ALA A 22 4.648 -0.818 1.843 1.00 0.63 H new ATOM 0 HB1 ALA A 22 6.469 -2.350 2.443 1.00 0.83 H new ATOM 0 HB2 ALA A 22 6.647 -1.732 0.784 1.00 0.83 H new ATOM 0 HB3 ALA A 22 7.657 -1.073 2.092 1.00 0.83 H new ATOM 143 N TYR A 23 6.449 0.928 3.944 1.00 0.62 N ATOM 144 CA TYR A 23 6.466 1.501 5.281 1.00 0.76 C ATOM 145 C TYR A 23 5.051 1.880 5.686 1.00 0.67 C ATOM 146 O TYR A 23 4.574 1.506 6.751 1.00 0.67 O ATOM 147 CB TYR A 23 7.364 2.742 5.289 1.00 1.11 C ATOM 148 CG TYR A 23 7.547 3.412 6.635 1.00 1.03 C ATOM 149 CD1 TYR A 23 8.580 3.037 7.471 1.00 1.86 C ATOM 150 CD2 TYR A 23 6.704 4.433 7.055 1.00 1.46 C ATOM 151 CE1 TYR A 23 8.781 3.652 8.687 1.00 2.48 C ATOM 152 CE2 TYR A 23 6.891 5.053 8.277 1.00 1.82 C ATOM 153 CZ TYR A 23 7.933 4.660 9.090 1.00 2.23 C ATOM 154 OH TYR A 23 8.133 5.283 10.304 1.00 2.99 O ATOM 0 H TYR A 23 7.128 1.343 3.306 1.00 0.62 H new ATOM 0 HA TYR A 23 6.857 0.772 5.990 1.00 0.76 H new ATOM 0 HB2 TYR A 23 8.345 2.460 4.908 1.00 1.11 H new ATOM 0 HB3 TYR A 23 6.950 3.472 4.594 1.00 1.11 H new ATOM 0 HD1 TYR A 23 9.245 2.244 7.164 1.00 1.86 H new ATOM 0 HD2 TYR A 23 5.891 4.747 6.418 1.00 1.46 H new ATOM 0 HE1 TYR A 23 9.599 3.345 9.321 1.00 2.48 H new ATOM 0 HE2 TYR A 23 6.224 5.841 8.593 1.00 1.82 H new ATOM 0 HH TYR A 23 7.448 5.971 10.435 1.00 2.99 H new ATOM 164 N ALA A 24 4.384 2.608 4.800 1.00 0.72 N ATOM 165 CA ALA A 24 3.008 3.027 5.008 1.00 0.87 C ATOM 166 C ALA A 24 2.097 1.839 5.250 1.00 0.75 C ATOM 167 O ALA A 24 1.296 1.833 6.185 1.00 0.84 O ATOM 168 CB ALA A 24 2.513 3.785 3.793 1.00 1.14 C ATOM 0 H ALA A 24 4.784 2.924 3.917 1.00 0.72 H new ATOM 0 HA ALA A 24 2.986 3.668 5.889 1.00 0.87 H new ATOM 0 HB1 ALA A 24 1.481 4.097 3.954 1.00 1.14 H new ATOM 0 HB2 ALA A 24 3.137 4.664 3.634 1.00 1.14 H new ATOM 0 HB3 ALA A 24 2.564 3.140 2.916 1.00 1.14 H new ATOM 174 N ILE A 25 2.249 0.837 4.406 1.00 0.62 N ATOM 175 CA ILE A 25 1.354 -0.306 4.397 1.00 0.71 C ATOM 176 C ILE A 25 1.525 -1.114 5.665 1.00 0.61 C ATOM 177 O ILE A 25 0.571 -1.333 6.404 1.00 0.66 O ATOM 178 CB ILE A 25 1.601 -1.235 3.187 1.00 0.80 C ATOM 179 CG1 ILE A 25 1.865 -0.432 1.910 1.00 0.97 C ATOM 180 CG2 ILE A 25 0.410 -2.162 2.988 1.00 0.91 C ATOM 181 CD1 ILE A 25 0.775 0.552 1.557 1.00 0.89 C ATOM 0 H ILE A 25 2.993 0.791 3.710 1.00 0.62 H new ATOM 0 HA ILE A 25 0.341 0.090 4.327 1.00 0.71 H new ATOM 0 HB ILE A 25 2.489 -1.831 3.397 1.00 0.80 H new ATOM 0 HG12 ILE A 25 2.804 0.109 2.023 1.00 0.97 H new ATOM 0 HG13 ILE A 25 1.995 -1.126 1.079 1.00 0.97 H new ATOM 0 HG21 ILE A 25 0.594 -2.812 2.133 1.00 0.91 H new ATOM 0 HG22 ILE A 25 0.268 -2.769 3.882 1.00 0.91 H new ATOM 0 HG23 ILE A 25 -0.486 -1.569 2.806 1.00 0.91 H new ATOM 0 HD11 ILE A 25 1.042 1.078 0.640 1.00 0.89 H new ATOM 0 HD12 ILE A 25 -0.163 0.018 1.409 1.00 0.89 H new ATOM 0 HD13 ILE A 25 0.658 1.272 2.367 1.00 0.89 H new ATOM 193 N ILE A 26 2.752 -1.530 5.929 1.00 0.53 N ATOM 194 CA ILE A 26 3.029 -2.374 7.074 1.00 0.53 C ATOM 195 C ILE A 26 2.746 -1.625 8.374 1.00 0.51 C ATOM 196 O ILE A 26 2.220 -2.199 9.319 1.00 0.53 O ATOM 197 CB ILE A 26 4.482 -2.891 7.069 1.00 0.58 C ATOM 198 CG1 ILE A 26 4.820 -3.526 5.714 1.00 0.67 C ATOM 199 CG2 ILE A 26 4.669 -3.906 8.186 1.00 0.62 C ATOM 200 CD1 ILE A 26 6.261 -3.977 5.584 1.00 0.78 C ATOM 0 H ILE A 26 3.570 -1.296 5.366 1.00 0.53 H new ATOM 0 HA ILE A 26 2.367 -3.237 7.006 1.00 0.53 H new ATOM 0 HB ILE A 26 5.157 -2.051 7.233 1.00 0.58 H new ATOM 0 HG12 ILE A 26 4.166 -4.383 5.554 1.00 0.67 H new ATOM 0 HG13 ILE A 26 4.603 -2.807 4.924 1.00 0.67 H new ATOM 0 HG21 ILE A 26 5.697 -4.269 8.179 1.00 0.62 H new ATOM 0 HG22 ILE A 26 4.457 -3.434 9.146 1.00 0.62 H new ATOM 0 HG23 ILE A 26 3.987 -4.743 8.035 1.00 0.62 H new ATOM 0 HD11 ILE A 26 6.418 -4.414 4.598 1.00 0.78 H new ATOM 0 HD12 ILE A 26 6.923 -3.120 5.710 1.00 0.78 H new ATOM 0 HD13 ILE A 26 6.480 -4.721 6.350 1.00 0.78 H new ATOM 212 N GLN A 27 3.073 -0.334 8.409 1.00 0.54 N ATOM 213 CA GLN A 27 2.788 0.499 9.577 1.00 0.62 C ATOM 214 C GLN A 27 1.284 0.588 9.837 1.00 0.55 C ATOM 215 O GLN A 27 0.826 0.374 10.964 1.00 0.57 O ATOM 216 CB GLN A 27 3.377 1.904 9.393 1.00 0.79 C ATOM 217 CG GLN A 27 4.852 2.006 9.769 1.00 0.89 C ATOM 218 CD GLN A 27 5.094 1.729 11.237 1.00 1.10 C ATOM 219 OE1 GLN A 27 5.046 2.636 12.068 1.00 1.58 O ATOM 220 NE2 GLN A 27 5.362 0.478 11.567 1.00 1.34 N ATOM 0 H GLN A 27 3.535 0.157 7.644 1.00 0.54 H new ATOM 0 HA GLN A 27 3.257 0.031 10.443 1.00 0.62 H new ATOM 0 HB2 GLN A 27 3.255 2.206 8.353 1.00 0.79 H new ATOM 0 HB3 GLN A 27 2.807 2.609 9.999 1.00 0.79 H new ATOM 0 HG2 GLN A 27 5.427 1.300 9.169 1.00 0.89 H new ATOM 0 HG3 GLN A 27 5.218 3.003 9.525 1.00 0.89 H new ATOM 0 HE21 GLN A 27 5.392 -0.244 10.847 1.00 1.34 H new ATOM 0 HE22 GLN A 27 5.539 0.234 12.542 1.00 1.34 H new ATOM 229 N PHE A 28 0.523 0.891 8.791 1.00 0.52 N ATOM 230 CA PHE A 28 -0.927 1.008 8.904 1.00 0.51 C ATOM 231 C PHE A 28 -1.536 -0.332 9.276 1.00 0.43 C ATOM 232 O PHE A 28 -2.227 -0.461 10.286 1.00 0.42 O ATOM 233 CB PHE A 28 -1.526 1.492 7.579 1.00 0.60 C ATOM 234 CG PHE A 28 -3.014 1.708 7.618 1.00 0.90 C ATOM 235 CD1 PHE A 28 -3.619 2.293 8.721 1.00 1.60 C ATOM 236 CD2 PHE A 28 -3.806 1.335 6.545 1.00 1.62 C ATOM 237 CE1 PHE A 28 -4.983 2.496 8.754 1.00 1.98 C ATOM 238 CE2 PHE A 28 -5.172 1.536 6.572 1.00 1.95 C ATOM 239 CZ PHE A 28 -5.761 2.118 7.678 1.00 1.83 C ATOM 0 H PHE A 28 0.887 1.060 7.853 1.00 0.52 H new ATOM 0 HA PHE A 28 -1.153 1.733 9.685 1.00 0.51 H new ATOM 0 HB2 PHE A 28 -1.042 2.426 7.294 1.00 0.60 H new ATOM 0 HB3 PHE A 28 -1.296 0.763 6.802 1.00 0.60 H new ATOM 0 HD1 PHE A 28 -3.015 2.593 9.564 1.00 1.60 H new ATOM 0 HD2 PHE A 28 -3.350 0.882 5.677 1.00 1.62 H new ATOM 0 HE1 PHE A 28 -5.442 2.950 9.620 1.00 1.98 H new ATOM 0 HE2 PHE A 28 -5.779 1.239 5.730 1.00 1.95 H new ATOM 0 HZ PHE A 28 -6.829 2.277 7.701 1.00 1.83 H new ATOM 249 N LEU A 29 -1.246 -1.325 8.455 1.00 0.45 N ATOM 250 CA LEU A 29 -1.813 -2.660 8.613 1.00 0.45 C ATOM 251 C LEU A 29 -1.428 -3.280 9.951 1.00 0.45 C ATOM 252 O LEU A 29 -2.206 -4.029 10.523 1.00 0.48 O ATOM 253 CB LEU A 29 -1.381 -3.574 7.461 1.00 0.53 C ATOM 254 CG LEU A 29 -2.231 -3.490 6.182 1.00 0.59 C ATOM 255 CD1 LEU A 29 -2.287 -2.072 5.634 1.00 0.57 C ATOM 256 CD2 LEU A 29 -1.688 -4.444 5.130 1.00 0.70 C ATOM 0 H LEU A 29 -0.613 -1.233 7.661 1.00 0.45 H new ATOM 0 HA LEU A 29 -2.898 -2.556 8.592 1.00 0.45 H new ATOM 0 HB2 LEU A 29 -0.348 -3.339 7.204 1.00 0.53 H new ATOM 0 HB3 LEU A 29 -1.394 -4.605 7.816 1.00 0.53 H new ATOM 0 HG LEU A 29 -3.249 -3.782 6.439 1.00 0.59 H new ATOM 0 HD11 LEU A 29 -2.897 -2.055 4.731 1.00 0.57 H new ATOM 0 HD12 LEU A 29 -2.726 -1.410 6.381 1.00 0.57 H new ATOM 0 HD13 LEU A 29 -1.278 -1.733 5.397 1.00 0.57 H new ATOM 0 HD21 LEU A 29 -2.297 -4.377 4.229 1.00 0.70 H new ATOM 0 HD22 LEU A 29 -0.658 -4.176 4.893 1.00 0.70 H new ATOM 0 HD23 LEU A 29 -1.719 -5.464 5.513 1.00 0.70 H new ATOM 268 N HIS A 30 -0.236 -2.959 10.445 1.00 0.47 N ATOM 269 CA HIS A 30 0.227 -3.456 11.742 1.00 0.53 C ATOM 270 C HIS A 30 -0.759 -3.102 12.849 1.00 0.47 C ATOM 271 O HIS A 30 -1.284 -3.978 13.538 1.00 0.49 O ATOM 272 CB HIS A 30 1.603 -2.864 12.067 1.00 0.67 C ATOM 273 CG HIS A 30 2.141 -3.222 13.419 1.00 0.93 C ATOM 274 ND1 HIS A 30 2.045 -2.387 14.514 1.00 1.11 N ATOM 275 CD2 HIS A 30 2.805 -4.322 13.843 1.00 1.18 C ATOM 276 CE1 HIS A 30 2.631 -2.959 15.550 1.00 1.37 C ATOM 277 NE2 HIS A 30 3.098 -4.132 15.169 1.00 1.41 N ATOM 0 H HIS A 30 0.431 -2.354 9.966 1.00 0.47 H new ATOM 0 HA HIS A 30 0.301 -4.542 11.683 1.00 0.53 H new ATOM 0 HB2 HIS A 30 2.313 -3.196 11.310 1.00 0.67 H new ATOM 0 HB3 HIS A 30 1.542 -1.778 11.992 1.00 0.67 H new ATOM 0 HD1 HIS A 30 1.593 -1.473 14.522 1.00 1.11 H new ATOM 0 HD2 HIS A 30 3.057 -5.188 13.248 1.00 1.18 H new ATOM 0 HE1 HIS A 30 2.714 -2.538 16.541 1.00 1.37 H new ATOM 286 N ASP A 31 -1.014 -1.815 13.012 1.00 0.48 N ATOM 287 CA ASP A 31 -1.885 -1.353 14.080 1.00 0.51 C ATOM 288 C ASP A 31 -3.345 -1.619 13.750 1.00 0.45 C ATOM 289 O ASP A 31 -4.129 -1.976 14.628 1.00 0.49 O ATOM 290 CB ASP A 31 -1.650 0.130 14.362 1.00 0.63 C ATOM 291 CG ASP A 31 -0.407 0.356 15.197 1.00 1.24 C ATOM 292 OD1 ASP A 31 0.715 0.127 14.685 1.00 1.98 O ATOM 293 OD2 ASP A 31 -0.544 0.736 16.379 1.00 1.79 O ATOM 0 H ASP A 31 -0.633 -1.075 12.422 1.00 0.48 H new ATOM 0 HA ASP A 31 -1.641 -1.915 14.982 1.00 0.51 H new ATOM 0 HB2 ASP A 31 -1.557 0.669 13.419 1.00 0.63 H new ATOM 0 HB3 ASP A 31 -2.516 0.543 14.880 1.00 0.63 H new ATOM 298 N GLN A 32 -3.700 -1.475 12.480 1.00 0.42 N ATOM 299 CA GLN A 32 -5.058 -1.756 12.027 1.00 0.43 C ATOM 300 C GLN A 32 -5.406 -3.219 12.287 1.00 0.38 C ATOM 301 O GLN A 32 -6.552 -3.554 12.596 1.00 0.43 O ATOM 302 CB GLN A 32 -5.191 -1.440 10.538 1.00 0.52 C ATOM 303 CG GLN A 32 -6.623 -1.456 10.032 1.00 0.57 C ATOM 304 CD GLN A 32 -6.722 -1.120 8.558 1.00 1.17 C ATOM 305 OE1 GLN A 32 -7.707 -0.539 8.108 1.00 1.92 O ATOM 306 NE2 GLN A 32 -5.708 -1.493 7.791 1.00 1.31 N ATOM 0 H GLN A 32 -3.066 -1.165 11.743 1.00 0.42 H new ATOM 0 HA GLN A 32 -5.752 -1.126 12.583 1.00 0.43 H new ATOM 0 HB2 GLN A 32 -4.758 -0.458 10.345 1.00 0.52 H new ATOM 0 HB3 GLN A 32 -4.607 -2.163 9.969 1.00 0.52 H new ATOM 0 HG2 GLN A 32 -7.055 -2.441 10.206 1.00 0.57 H new ATOM 0 HG3 GLN A 32 -7.215 -0.742 10.605 1.00 0.57 H new ATOM 0 HE21 GLN A 32 -4.908 -1.973 8.202 1.00 1.31 H new ATOM 0 HE22 GLN A 32 -5.728 -1.300 6.790 1.00 1.31 H new ATOM 315 N LEU A 33 -4.402 -4.080 12.170 1.00 0.36 N ATOM 316 CA LEU A 33 -4.554 -5.501 12.449 1.00 0.42 C ATOM 317 C LEU A 33 -4.880 -5.703 13.921 1.00 0.46 C ATOM 318 O LEU A 33 -5.851 -6.372 14.269 1.00 0.54 O ATOM 319 CB LEU A 33 -3.255 -6.239 12.096 1.00 0.53 C ATOM 320 CG LEU A 33 -3.414 -7.613 11.440 1.00 0.80 C ATOM 321 CD1 LEU A 33 -4.008 -8.619 12.409 1.00 1.22 C ATOM 322 CD2 LEU A 33 -4.271 -7.499 10.190 1.00 0.83 C ATOM 0 H LEU A 33 -3.462 -3.812 11.880 1.00 0.36 H new ATOM 0 HA LEU A 33 -5.368 -5.902 11.845 1.00 0.42 H new ATOM 0 HB2 LEU A 33 -2.672 -5.606 11.427 1.00 0.53 H new ATOM 0 HB3 LEU A 33 -2.671 -6.361 13.009 1.00 0.53 H new ATOM 0 HG LEU A 33 -2.425 -7.973 11.156 1.00 0.80 H new ATOM 0 HD11 LEU A 33 -4.109 -9.585 11.914 1.00 1.22 H new ATOM 0 HD12 LEU A 33 -3.353 -8.721 13.274 1.00 1.22 H new ATOM 0 HD13 LEU A 33 -4.989 -8.274 12.735 1.00 1.22 H new ATOM 0 HD21 LEU A 33 -4.378 -8.482 9.731 1.00 0.83 H new ATOM 0 HD22 LEU A 33 -5.255 -7.115 10.457 1.00 0.83 H new ATOM 0 HD23 LEU A 33 -3.795 -6.819 9.484 1.00 0.83 H new ATOM 334 N ARG A 34 -4.074 -5.088 14.777 1.00 0.47 N ATOM 335 CA ARG A 34 -4.237 -5.209 16.218 1.00 0.58 C ATOM 336 C ARG A 34 -5.562 -4.601 16.676 1.00 0.58 C ATOM 337 O ARG A 34 -6.164 -5.064 17.643 1.00 0.69 O ATOM 338 CB ARG A 34 -3.074 -4.523 16.938 1.00 0.69 C ATOM 339 CG ARG A 34 -3.045 -4.752 18.445 1.00 1.40 C ATOM 340 CD ARG A 34 -2.597 -6.164 18.801 1.00 1.45 C ATOM 341 NE ARG A 34 -3.556 -7.188 18.378 1.00 2.17 N ATOM 342 CZ ARG A 34 -3.223 -8.454 18.121 1.00 2.52 C ATOM 343 NH1 ARG A 34 -1.962 -8.852 18.243 1.00 2.19 N ATOM 344 NH2 ARG A 34 -4.152 -9.321 17.740 1.00 3.49 N ATOM 0 H ARG A 34 -3.294 -4.495 14.493 1.00 0.47 H new ATOM 0 HA ARG A 34 -4.243 -6.270 16.469 1.00 0.58 H new ATOM 0 HB2 ARG A 34 -2.137 -4.879 16.510 1.00 0.69 H new ATOM 0 HB3 ARG A 34 -3.125 -3.451 16.746 1.00 0.69 H new ATOM 0 HG2 ARG A 34 -2.372 -4.031 18.908 1.00 1.40 H new ATOM 0 HG3 ARG A 34 -4.038 -4.572 18.858 1.00 1.40 H new ATOM 0 HD2 ARG A 34 -1.632 -6.362 18.335 1.00 1.45 H new ATOM 0 HD3 ARG A 34 -2.451 -6.233 19.879 1.00 1.45 H new ATOM 0 HE ARG A 34 -4.534 -6.917 18.274 1.00 2.17 H new ATOM 0 HH11 ARG A 34 -1.244 -8.189 18.534 1.00 2.19 H new ATOM 0 HH12 ARG A 34 -1.712 -9.821 18.046 1.00 2.19 H new ATOM 0 HH21 ARG A 34 -5.122 -9.020 17.643 1.00 3.49 H new ATOM 0 HH22 ARG A 34 -3.897 -10.289 17.544 1.00 3.49 H new ATOM 358 N HIS A 35 -6.015 -3.568 15.972 1.00 0.53 N ATOM 359 CA HIS A 35 -7.263 -2.893 16.324 1.00 0.58 C ATOM 360 C HIS A 35 -8.467 -3.644 15.769 1.00 0.58 C ATOM 361 O HIS A 35 -9.609 -3.369 16.136 1.00 0.74 O ATOM 362 CB HIS A 35 -7.284 -1.449 15.803 1.00 0.59 C ATOM 363 CG HIS A 35 -6.188 -0.578 16.341 1.00 1.15 C ATOM 364 ND1 HIS A 35 -5.686 0.503 15.650 1.00 1.98 N ATOM 365 CD2 HIS A 35 -5.502 -0.624 17.508 1.00 1.61 C ATOM 366 CE1 HIS A 35 -4.740 1.081 16.364 1.00 2.68 C ATOM 367 NE2 HIS A 35 -4.611 0.416 17.496 1.00 2.42 N ATOM 0 H HIS A 35 -5.540 -3.180 15.157 1.00 0.53 H new ATOM 0 HA HIS A 35 -7.320 -2.877 17.412 1.00 0.58 H new ATOM 0 HB2 HIS A 35 -7.215 -1.468 14.715 1.00 0.59 H new ATOM 0 HB3 HIS A 35 -8.245 -0.999 16.054 1.00 0.59 H new ATOM 0 HD2 HIS A 35 -5.633 -1.346 18.300 1.00 1.61 H new ATOM 0 HE1 HIS A 35 -4.169 1.950 16.072 1.00 2.68 H new ATOM 0 HE2 HIS A 35 -3.953 0.640 18.243 1.00 2.42 H new ATOM 376 N GLY A 36 -8.202 -4.596 14.879 1.00 0.49 N ATOM 377 CA GLY A 36 -9.269 -5.358 14.259 1.00 0.51 C ATOM 378 C GLY A 36 -10.072 -4.525 13.283 1.00 0.47 C ATOM 379 O GLY A 36 -11.289 -4.669 13.190 1.00 0.53 O ATOM 0 H GLY A 36 -7.263 -4.853 14.576 1.00 0.49 H new ATOM 0 HA2 GLY A 36 -8.845 -6.217 13.739 1.00 0.51 H new ATOM 0 HA3 GLY A 36 -9.931 -5.748 15.032 1.00 0.51 H new ATOM 383 N GLY A 37 -9.384 -3.650 12.554 1.00 0.41 N ATOM 384 CA GLY A 37 -10.051 -2.755 11.621 1.00 0.40 C ATOM 385 C GLY A 37 -10.780 -3.495 10.517 1.00 0.39 C ATOM 386 O GLY A 37 -11.809 -3.034 10.025 1.00 0.52 O ATOM 0 H GLY A 37 -8.370 -3.544 12.593 1.00 0.41 H new ATOM 0 HA2 GLY A 37 -10.761 -2.133 12.166 1.00 0.40 H new ATOM 0 HA3 GLY A 37 -9.315 -2.085 11.178 1.00 0.40 H new ATOM 390 N LEU A 38 -10.240 -4.636 10.123 1.00 0.36 N ATOM 391 CA LEU A 38 -10.866 -5.475 9.110 1.00 0.41 C ATOM 392 C LEU A 38 -11.367 -6.766 9.741 1.00 0.49 C ATOM 393 O LEU A 38 -10.820 -7.224 10.748 1.00 0.83 O ATOM 394 CB LEU A 38 -9.880 -5.794 7.977 1.00 0.44 C ATOM 395 CG LEU A 38 -9.594 -4.658 6.982 1.00 0.44 C ATOM 396 CD1 LEU A 38 -10.888 -4.101 6.411 1.00 0.51 C ATOM 397 CD2 LEU A 38 -8.790 -3.550 7.633 1.00 0.47 C ATOM 0 H LEU A 38 -9.364 -5.006 10.491 1.00 0.36 H new ATOM 0 HA LEU A 38 -11.710 -4.930 8.687 1.00 0.41 H new ATOM 0 HB2 LEU A 38 -8.935 -6.104 8.423 1.00 0.44 H new ATOM 0 HB3 LEU A 38 -10.264 -6.648 7.420 1.00 0.44 H new ATOM 0 HG LEU A 38 -9.004 -5.075 6.166 1.00 0.44 H new ATOM 0 HD11 LEU A 38 -10.660 -3.298 5.710 1.00 0.51 H new ATOM 0 HD12 LEU A 38 -11.428 -4.894 5.893 1.00 0.51 H new ATOM 0 HD13 LEU A 38 -11.505 -3.711 7.221 1.00 0.51 H new ATOM 0 HD21 LEU A 38 -8.603 -2.760 6.905 1.00 0.47 H new ATOM 0 HD22 LEU A 38 -9.348 -3.142 8.476 1.00 0.47 H new ATOM 0 HD23 LEU A 38 -7.840 -3.950 7.987 1.00 0.47 H new ATOM 409 N SER A 39 -12.402 -7.350 9.147 1.00 0.47 N ATOM 410 CA SER A 39 -12.989 -8.577 9.667 1.00 0.54 C ATOM 411 C SER A 39 -12.046 -9.755 9.424 1.00 0.48 C ATOM 412 O SER A 39 -11.065 -9.614 8.705 1.00 0.46 O ATOM 413 CB SER A 39 -14.354 -8.820 9.016 1.00 0.67 C ATOM 414 OG SER A 39 -15.037 -9.899 9.633 1.00 1.42 O ATOM 0 H SER A 39 -12.851 -6.992 8.304 1.00 0.47 H new ATOM 0 HA SER A 39 -13.136 -8.478 10.742 1.00 0.54 H new ATOM 0 HB2 SER A 39 -14.959 -7.916 9.087 1.00 0.67 H new ATOM 0 HB3 SER A 39 -14.220 -9.031 7.955 1.00 0.67 H new ATOM 0 HG SER A 39 -15.905 -10.029 9.197 1.00 1.42 H new ATOM 420 N SER A 40 -12.370 -10.908 10.006 1.00 0.60 N ATOM 421 CA SER A 40 -11.474 -12.069 10.063 1.00 0.61 C ATOM 422 C SER A 40 -10.730 -12.338 8.746 1.00 0.53 C ATOM 423 O SER A 40 -9.497 -12.352 8.719 1.00 0.50 O ATOM 424 CB SER A 40 -12.281 -13.302 10.463 1.00 0.77 C ATOM 425 OG SER A 40 -13.093 -13.024 11.595 1.00 1.63 O ATOM 0 H SER A 40 -13.271 -11.068 10.457 1.00 0.60 H new ATOM 0 HA SER A 40 -10.708 -11.845 10.805 1.00 0.61 H new ATOM 0 HB2 SER A 40 -12.907 -13.619 9.629 1.00 0.77 H new ATOM 0 HB3 SER A 40 -11.606 -14.128 10.687 1.00 0.77 H new ATOM 0 HG SER A 40 -13.604 -13.825 11.836 1.00 1.63 H new ATOM 431 N ASP A 41 -11.473 -12.533 7.659 1.00 0.57 N ATOM 432 CA ASP A 41 -10.871 -12.891 6.371 1.00 0.58 C ATOM 433 C ASP A 41 -9.990 -11.767 5.842 1.00 0.53 C ATOM 434 O ASP A 41 -8.897 -12.003 5.330 1.00 0.56 O ATOM 435 CB ASP A 41 -11.947 -13.228 5.335 1.00 0.71 C ATOM 436 CG ASP A 41 -12.777 -14.435 5.716 1.00 1.25 C ATOM 437 OD1 ASP A 41 -12.376 -15.572 5.385 1.00 1.69 O ATOM 438 OD2 ASP A 41 -13.841 -14.255 6.345 1.00 2.20 O ATOM 0 H ASP A 41 -12.489 -12.450 7.641 1.00 0.57 H new ATOM 0 HA ASP A 41 -10.252 -13.773 6.539 1.00 0.58 H new ATOM 0 HB2 ASP A 41 -12.604 -12.367 5.208 1.00 0.71 H new ATOM 0 HB3 ASP A 41 -11.471 -13.410 4.371 1.00 0.71 H new ATOM 443 N ALA A 42 -10.472 -10.543 5.970 1.00 0.51 N ATOM 444 CA ALA A 42 -9.744 -9.377 5.493 1.00 0.51 C ATOM 445 C ALA A 42 -8.535 -9.086 6.379 1.00 0.47 C ATOM 446 O ALA A 42 -7.486 -8.657 5.902 1.00 0.52 O ATOM 447 CB ALA A 42 -10.675 -8.181 5.451 1.00 0.54 C ATOM 0 H ALA A 42 -11.370 -10.329 6.403 1.00 0.51 H new ATOM 0 HA ALA A 42 -9.376 -9.580 4.487 1.00 0.51 H new ATOM 0 HB1 ALA A 42 -10.129 -7.308 5.094 1.00 0.54 H new ATOM 0 HB2 ALA A 42 -11.506 -8.390 4.777 1.00 0.54 H new ATOM 0 HB3 ALA A 42 -11.060 -7.984 6.452 1.00 0.54 H new ATOM 453 N GLN A 43 -8.697 -9.336 7.669 1.00 0.44 N ATOM 454 CA GLN A 43 -7.652 -9.104 8.657 1.00 0.45 C ATOM 455 C GLN A 43 -6.451 -10.004 8.391 1.00 0.45 C ATOM 456 O GLN A 43 -5.325 -9.526 8.267 1.00 0.48 O ATOM 457 CB GLN A 43 -8.213 -9.359 10.058 1.00 0.49 C ATOM 458 CG GLN A 43 -7.286 -8.943 11.183 1.00 0.82 C ATOM 459 CD GLN A 43 -7.921 -9.079 12.553 1.00 0.85 C ATOM 460 OE1 GLN A 43 -7.242 -9.374 13.534 1.00 1.56 O ATOM 461 NE2 GLN A 43 -9.220 -8.830 12.640 1.00 1.12 N ATOM 0 H GLN A 43 -9.561 -9.708 8.063 1.00 0.44 H new ATOM 0 HA GLN A 43 -7.318 -8.069 8.586 1.00 0.45 H new ATOM 0 HB2 GLN A 43 -9.156 -8.823 10.163 1.00 0.49 H new ATOM 0 HB3 GLN A 43 -8.436 -10.421 10.160 1.00 0.49 H new ATOM 0 HG2 GLN A 43 -6.382 -9.551 11.145 1.00 0.82 H new ATOM 0 HG3 GLN A 43 -6.981 -7.908 11.031 1.00 0.82 H new ATOM 0 HE21 GLN A 43 -9.750 -8.588 11.803 1.00 1.12 H new ATOM 0 HE22 GLN A 43 -9.689 -8.880 13.544 1.00 1.12 H new ATOM 470 N GLU A 44 -6.694 -11.303 8.272 1.00 0.49 N ATOM 471 CA GLU A 44 -5.611 -12.246 8.024 1.00 0.54 C ATOM 472 C GLU A 44 -4.937 -11.945 6.684 1.00 0.51 C ATOM 473 O GLU A 44 -3.748 -12.207 6.500 1.00 0.50 O ATOM 474 CB GLU A 44 -6.123 -13.689 8.053 1.00 0.68 C ATOM 475 CG GLU A 44 -7.108 -14.017 6.943 1.00 1.20 C ATOM 476 CD GLU A 44 -7.509 -15.474 6.937 1.00 1.65 C ATOM 477 OE1 GLU A 44 -6.712 -16.315 6.468 1.00 2.20 O ATOM 478 OE2 GLU A 44 -8.627 -15.793 7.388 1.00 2.36 O ATOM 0 H GLU A 44 -7.620 -11.724 8.342 1.00 0.49 H new ATOM 0 HA GLU A 44 -4.874 -12.132 8.819 1.00 0.54 H new ATOM 0 HB2 GLU A 44 -5.273 -14.367 7.982 1.00 0.68 H new ATOM 0 HB3 GLU A 44 -6.600 -13.875 9.015 1.00 0.68 H new ATOM 0 HG2 GLU A 44 -7.998 -13.399 7.057 1.00 1.20 H new ATOM 0 HG3 GLU A 44 -6.664 -13.762 5.981 1.00 1.20 H new ATOM 485 N SER A 45 -5.703 -11.365 5.763 1.00 0.54 N ATOM 486 CA SER A 45 -5.184 -10.995 4.455 1.00 0.59 C ATOM 487 C SER A 45 -4.164 -9.864 4.569 1.00 0.55 C ATOM 488 O SER A 45 -3.227 -9.789 3.774 1.00 0.58 O ATOM 489 CB SER A 45 -6.329 -10.590 3.525 1.00 0.71 C ATOM 490 OG SER A 45 -7.208 -11.683 3.294 1.00 1.04 O ATOM 0 H SER A 45 -6.688 -11.142 5.902 1.00 0.54 H new ATOM 0 HA SER A 45 -4.678 -11.863 4.032 1.00 0.59 H new ATOM 0 HB2 SER A 45 -6.883 -9.760 3.964 1.00 0.71 H new ATOM 0 HB3 SER A 45 -5.924 -10.237 2.576 1.00 0.71 H new ATOM 0 HG SER A 45 -7.671 -11.913 4.127 1.00 1.04 H new ATOM 496 N LEU A 46 -4.334 -8.989 5.563 1.00 0.56 N ATOM 497 CA LEU A 46 -3.370 -7.917 5.792 1.00 0.60 C ATOM 498 C LEU A 46 -2.028 -8.515 6.164 1.00 0.50 C ATOM 499 O LEU A 46 -0.992 -8.128 5.628 1.00 0.48 O ATOM 500 CB LEU A 46 -3.808 -6.980 6.921 1.00 0.74 C ATOM 501 CG LEU A 46 -5.167 -6.302 6.758 1.00 0.75 C ATOM 502 CD1 LEU A 46 -5.355 -5.231 7.820 1.00 1.28 C ATOM 503 CD2 LEU A 46 -5.314 -5.704 5.369 1.00 1.14 C ATOM 0 H LEU A 46 -5.120 -9.003 6.213 1.00 0.56 H new ATOM 0 HA LEU A 46 -3.302 -7.340 4.870 1.00 0.60 H new ATOM 0 HB2 LEU A 46 -3.820 -7.549 7.851 1.00 0.74 H new ATOM 0 HB3 LEU A 46 -3.051 -6.204 7.033 1.00 0.74 H new ATOM 0 HG LEU A 46 -5.941 -7.059 6.884 1.00 0.75 H new ATOM 0 HD11 LEU A 46 -6.328 -4.757 7.691 1.00 1.28 H new ATOM 0 HD12 LEU A 46 -5.302 -5.686 8.809 1.00 1.28 H new ATOM 0 HD13 LEU A 46 -4.570 -4.481 7.723 1.00 1.28 H new ATOM 0 HD21 LEU A 46 -6.290 -5.228 5.279 1.00 1.14 H new ATOM 0 HD22 LEU A 46 -4.532 -4.962 5.208 1.00 1.14 H new ATOM 0 HD23 LEU A 46 -5.225 -6.493 4.622 1.00 1.14 H new ATOM 515 N GLU A 47 -2.068 -9.474 7.080 1.00 0.49 N ATOM 516 CA GLU A 47 -0.867 -10.129 7.572 1.00 0.48 C ATOM 517 C GLU A 47 -0.097 -10.785 6.430 1.00 0.43 C ATOM 518 O GLU A 47 1.124 -10.639 6.329 1.00 0.45 O ATOM 519 CB GLU A 47 -1.241 -11.159 8.637 1.00 0.55 C ATOM 520 CG GLU A 47 -0.052 -11.905 9.214 1.00 0.81 C ATOM 521 CD GLU A 47 -0.438 -12.795 10.371 1.00 1.06 C ATOM 522 OE1 GLU A 47 -1.184 -13.774 10.157 1.00 1.51 O ATOM 523 OE2 GLU A 47 0.008 -12.521 11.507 1.00 1.76 O ATOM 0 H GLU A 47 -2.932 -9.817 7.500 1.00 0.49 H new ATOM 0 HA GLU A 47 -0.216 -9.378 8.020 1.00 0.48 H new ATOM 0 HB2 GLU A 47 -1.769 -10.655 9.446 1.00 0.55 H new ATOM 0 HB3 GLU A 47 -1.935 -11.880 8.204 1.00 0.55 H new ATOM 0 HG2 GLU A 47 0.409 -12.509 8.432 1.00 0.81 H new ATOM 0 HG3 GLU A 47 0.698 -11.187 9.546 1.00 0.81 H new ATOM 530 N VAL A 48 -0.815 -11.488 5.560 1.00 0.41 N ATOM 531 CA VAL A 48 -0.195 -12.130 4.409 1.00 0.42 C ATOM 532 C VAL A 48 0.394 -11.082 3.468 1.00 0.41 C ATOM 533 O VAL A 48 1.510 -11.238 2.969 1.00 0.43 O ATOM 534 CB VAL A 48 -1.197 -13.012 3.633 1.00 0.46 C ATOM 535 CG1 VAL A 48 -0.512 -13.725 2.477 1.00 0.49 C ATOM 536 CG2 VAL A 48 -1.849 -14.021 4.561 1.00 0.49 C ATOM 0 H VAL A 48 -1.823 -11.627 5.631 1.00 0.41 H new ATOM 0 HA VAL A 48 0.600 -12.772 4.788 1.00 0.42 H new ATOM 0 HB VAL A 48 -1.971 -12.362 3.224 1.00 0.46 H new ATOM 0 HG11 VAL A 48 -1.239 -14.340 1.946 1.00 0.49 H new ATOM 0 HG12 VAL A 48 -0.092 -12.988 1.793 1.00 0.49 H new ATOM 0 HG13 VAL A 48 0.287 -14.359 2.862 1.00 0.49 H new ATOM 0 HG21 VAL A 48 -2.552 -14.634 3.996 1.00 0.49 H new ATOM 0 HG22 VAL A 48 -1.083 -14.660 5.000 1.00 0.49 H new ATOM 0 HG23 VAL A 48 -2.381 -13.495 5.354 1.00 0.49 H new ATOM 546 N ALA A 49 -0.354 -10.004 3.248 1.00 0.41 N ATOM 547 CA ALA A 49 0.111 -8.904 2.412 1.00 0.43 C ATOM 548 C ALA A 49 1.383 -8.289 2.984 1.00 0.43 C ATOM 549 O ALA A 49 2.315 -7.979 2.246 1.00 0.48 O ATOM 550 CB ALA A 49 -0.973 -7.847 2.270 1.00 0.44 C ATOM 0 H ALA A 49 -1.287 -9.870 3.639 1.00 0.41 H new ATOM 0 HA ALA A 49 0.339 -9.302 1.423 1.00 0.43 H new ATOM 0 HB1 ALA A 49 -0.608 -7.034 1.643 1.00 0.44 H new ATOM 0 HB2 ALA A 49 -1.856 -8.291 1.811 1.00 0.44 H new ATOM 0 HB3 ALA A 49 -1.233 -7.458 3.254 1.00 0.44 H new ATOM 556 N ILE A 50 1.414 -8.128 4.305 1.00 0.40 N ATOM 557 CA ILE A 50 2.599 -7.629 4.997 1.00 0.40 C ATOM 558 C ILE A 50 3.814 -8.495 4.672 1.00 0.38 C ATOM 559 O ILE A 50 4.872 -7.984 4.305 1.00 0.41 O ATOM 560 CB ILE A 50 2.383 -7.597 6.530 1.00 0.43 C ATOM 561 CG1 ILE A 50 1.350 -6.528 6.905 1.00 0.53 C ATOM 562 CG2 ILE A 50 3.700 -7.350 7.258 1.00 0.47 C ATOM 563 CD1 ILE A 50 1.003 -6.502 8.381 1.00 0.61 C ATOM 0 H ILE A 50 0.627 -8.337 4.920 1.00 0.40 H new ATOM 0 HA ILE A 50 2.777 -6.611 4.650 1.00 0.40 H new ATOM 0 HB ILE A 50 2.001 -8.569 6.841 1.00 0.43 H new ATOM 0 HG12 ILE A 50 1.732 -5.549 6.614 1.00 0.53 H new ATOM 0 HG13 ILE A 50 0.440 -6.699 6.330 1.00 0.53 H new ATOM 0 HG21 ILE A 50 3.523 -7.332 8.333 1.00 0.47 H new ATOM 0 HG22 ILE A 50 4.403 -8.148 7.019 1.00 0.47 H new ATOM 0 HG23 ILE A 50 4.116 -6.393 6.942 1.00 0.47 H new ATOM 0 HD11 ILE A 50 0.267 -5.720 8.568 1.00 0.61 H new ATOM 0 HD12 ILE A 50 0.590 -7.467 8.675 1.00 0.61 H new ATOM 0 HD13 ILE A 50 1.902 -6.300 8.963 1.00 0.61 H new ATOM 575 N GLN A 51 3.640 -9.807 4.783 1.00 0.39 N ATOM 576 CA GLN A 51 4.718 -10.752 4.508 1.00 0.43 C ATOM 577 C GLN A 51 5.172 -10.652 3.054 1.00 0.43 C ATOM 578 O GLN A 51 6.367 -10.706 2.758 1.00 0.47 O ATOM 579 CB GLN A 51 4.262 -12.183 4.807 1.00 0.50 C ATOM 580 CG GLN A 51 3.803 -12.403 6.241 1.00 0.78 C ATOM 581 CD GLN A 51 4.885 -12.102 7.258 1.00 1.02 C ATOM 582 OE1 GLN A 51 5.684 -12.969 7.608 1.00 1.84 O ATOM 583 NE2 GLN A 51 4.909 -10.875 7.750 1.00 1.35 N ATOM 0 H GLN A 51 2.761 -10.242 5.062 1.00 0.39 H new ATOM 0 HA GLN A 51 5.558 -10.500 5.155 1.00 0.43 H new ATOM 0 HB2 GLN A 51 3.446 -12.441 4.132 1.00 0.50 H new ATOM 0 HB3 GLN A 51 5.083 -12.867 4.591 1.00 0.50 H new ATOM 0 HG2 GLN A 51 2.937 -11.772 6.441 1.00 0.78 H new ATOM 0 HG3 GLN A 51 3.478 -13.437 6.359 1.00 0.78 H new ATOM 0 HE21 GLN A 51 4.228 -10.185 7.433 1.00 1.35 H new ATOM 0 HE22 GLN A 51 5.609 -10.618 8.447 1.00 1.35 H new ATOM 592 N CYS A 52 4.209 -10.495 2.156 1.00 0.45 N ATOM 593 CA CYS A 52 4.498 -10.404 0.732 1.00 0.53 C ATOM 594 C CYS A 52 5.228 -9.106 0.397 1.00 0.53 C ATOM 595 O CYS A 52 6.230 -9.118 -0.314 1.00 0.60 O ATOM 596 CB CYS A 52 3.203 -10.500 -0.074 1.00 0.59 C ATOM 597 SG CYS A 52 2.276 -12.023 0.211 1.00 0.69 S ATOM 0 H CYS A 52 3.218 -10.428 2.390 1.00 0.45 H new ATOM 0 HA CYS A 52 5.150 -11.236 0.466 1.00 0.53 H new ATOM 0 HB2 CYS A 52 2.569 -9.649 0.173 1.00 0.59 H new ATOM 0 HB3 CYS A 52 3.440 -10.424 -1.135 1.00 0.59 H new ATOM 0 HG CYS A 52 1.845 -12.046 1.437 1.00 0.69 H new ATOM 603 N LEU A 53 4.734 -7.991 0.923 1.00 0.50 N ATOM 604 CA LEU A 53 5.317 -6.685 0.630 1.00 0.54 C ATOM 605 C LEU A 53 6.694 -6.541 1.268 1.00 0.51 C ATOM 606 O LEU A 53 7.549 -5.813 0.756 1.00 0.58 O ATOM 607 CB LEU A 53 4.389 -5.563 1.093 1.00 0.63 C ATOM 608 CG LEU A 53 3.021 -5.533 0.405 1.00 0.54 C ATOM 609 CD1 LEU A 53 2.195 -4.366 0.912 1.00 0.76 C ATOM 610 CD2 LEU A 53 3.179 -5.457 -1.107 1.00 0.61 C ATOM 0 H LEU A 53 3.933 -7.964 1.554 1.00 0.50 H new ATOM 0 HA LEU A 53 5.438 -6.608 -0.451 1.00 0.54 H new ATOM 0 HB2 LEU A 53 4.237 -5.657 2.168 1.00 0.63 H new ATOM 0 HB3 LEU A 53 4.886 -4.607 0.924 1.00 0.63 H new ATOM 0 HG LEU A 53 2.498 -6.458 0.648 1.00 0.54 H new ATOM 0 HD11 LEU A 53 1.227 -4.361 0.412 1.00 0.76 H new ATOM 0 HD12 LEU A 53 2.047 -4.465 1.987 1.00 0.76 H new ATOM 0 HD13 LEU A 53 2.717 -3.432 0.702 1.00 0.76 H new ATOM 0 HD21 LEU A 53 2.195 -5.437 -1.575 1.00 0.61 H new ATOM 0 HD22 LEU A 53 3.725 -4.551 -1.371 1.00 0.61 H new ATOM 0 HD23 LEU A 53 3.731 -6.329 -1.459 1.00 0.61 H new ATOM 622 N GLU A 54 6.903 -7.239 2.378 1.00 0.47 N ATOM 623 CA GLU A 54 8.213 -7.299 3.016 1.00 0.51 C ATOM 624 C GLU A 54 9.237 -7.852 2.027 1.00 0.56 C ATOM 625 O GLU A 54 10.293 -7.254 1.803 1.00 0.65 O ATOM 626 CB GLU A 54 8.128 -8.169 4.279 1.00 0.56 C ATOM 627 CG GLU A 54 9.437 -8.318 5.040 1.00 0.73 C ATOM 628 CD GLU A 54 10.123 -9.645 4.782 1.00 1.05 C ATOM 629 OE1 GLU A 54 9.659 -10.667 5.328 1.00 1.62 O ATOM 630 OE2 GLU A 54 11.131 -9.674 4.045 1.00 1.65 O ATOM 0 H GLU A 54 6.178 -7.774 2.857 1.00 0.47 H new ATOM 0 HA GLU A 54 8.532 -6.300 3.312 1.00 0.51 H new ATOM 0 HB2 GLU A 54 7.382 -7.741 4.948 1.00 0.56 H new ATOM 0 HB3 GLU A 54 7.773 -9.160 3.997 1.00 0.56 H new ATOM 0 HG2 GLU A 54 10.109 -7.507 4.759 1.00 0.73 H new ATOM 0 HG3 GLU A 54 9.244 -8.216 6.108 1.00 0.73 H new ATOM 637 N THR A 55 8.892 -8.973 1.408 1.00 0.61 N ATOM 638 CA THR A 55 9.730 -9.584 0.389 1.00 0.78 C ATOM 639 C THR A 55 9.765 -8.722 -0.872 1.00 0.83 C ATOM 640 O THR A 55 10.791 -8.634 -1.548 1.00 0.98 O ATOM 641 CB THR A 55 9.205 -10.989 0.033 1.00 0.95 C ATOM 642 OG1 THR A 55 9.054 -11.766 1.229 1.00 1.00 O ATOM 643 CG2 THR A 55 10.146 -11.704 -0.925 1.00 1.16 C ATOM 0 H THR A 55 8.028 -9.481 1.598 1.00 0.61 H new ATOM 0 HA THR A 55 10.740 -9.666 0.791 1.00 0.78 H new ATOM 0 HB THR A 55 8.239 -10.876 -0.459 1.00 0.95 H new ATOM 0 HG1 THR A 55 8.246 -11.481 1.705 1.00 1.00 H new ATOM 0 HG21 THR A 55 9.748 -12.692 -1.157 1.00 1.16 H new ATOM 0 HG22 THR A 55 10.238 -11.125 -1.844 1.00 1.16 H new ATOM 0 HG23 THR A 55 11.127 -11.808 -0.462 1.00 1.16 H new ATOM 651 N ALA A 56 8.637 -8.081 -1.161 1.00 0.77 N ATOM 652 CA ALA A 56 8.483 -7.263 -2.356 1.00 0.88 C ATOM 653 C ALA A 56 9.510 -6.143 -2.417 1.00 0.88 C ATOM 654 O ALA A 56 10.399 -6.148 -3.265 1.00 1.15 O ATOM 655 CB ALA A 56 7.081 -6.677 -2.413 1.00 0.90 C ATOM 0 H ALA A 56 7.805 -8.115 -0.572 1.00 0.77 H new ATOM 0 HA ALA A 56 8.646 -7.912 -3.217 1.00 0.88 H new ATOM 0 HB1 ALA A 56 6.978 -6.067 -3.311 1.00 0.90 H new ATOM 0 HB2 ALA A 56 6.350 -7.485 -2.437 1.00 0.90 H new ATOM 0 HB3 ALA A 56 6.909 -6.058 -1.532 1.00 0.90 H new ATOM 661 N PHE A 57 9.397 -5.193 -1.504 1.00 0.76 N ATOM 662 CA PHE A 57 10.221 -4.001 -1.547 1.00 1.05 C ATOM 663 C PHE A 57 11.584 -4.232 -0.908 1.00 1.56 C ATOM 664 O PHE A 57 12.478 -3.390 -0.998 1.00 2.05 O ATOM 665 CB PHE A 57 9.502 -2.859 -0.844 1.00 1.04 C ATOM 666 CG PHE A 57 8.199 -2.474 -1.485 1.00 0.93 C ATOM 667 CD1 PHE A 57 8.170 -1.600 -2.559 1.00 1.50 C ATOM 668 CD2 PHE A 57 7.003 -2.973 -0.999 1.00 1.47 C ATOM 669 CE1 PHE A 57 6.969 -1.232 -3.136 1.00 1.50 C ATOM 670 CE2 PHE A 57 5.802 -2.604 -1.568 1.00 1.46 C ATOM 671 CZ PHE A 57 5.783 -1.734 -2.635 1.00 0.92 C ATOM 0 H PHE A 57 8.741 -5.226 -0.724 1.00 0.76 H new ATOM 0 HA PHE A 57 10.389 -3.745 -2.593 1.00 1.05 H new ATOM 0 HB2 PHE A 57 9.316 -3.143 0.192 1.00 1.04 H new ATOM 0 HB3 PHE A 57 10.157 -1.988 -0.824 1.00 1.04 H new ATOM 0 HD1 PHE A 57 9.095 -1.202 -2.950 1.00 1.50 H new ATOM 0 HD2 PHE A 57 7.010 -3.659 -0.165 1.00 1.47 H new ATOM 0 HE1 PHE A 57 6.958 -0.554 -3.976 1.00 1.50 H new ATOM 0 HE2 PHE A 57 4.876 -2.998 -1.176 1.00 1.46 H new ATOM 0 HZ PHE A 57 4.842 -1.444 -3.080 1.00 0.92 H new ATOM 681 N GLY A 58 11.729 -5.380 -0.261 1.00 1.71 N ATOM 682 CA GLY A 58 12.991 -5.733 0.351 1.00 2.29 C ATOM 683 C GLY A 58 13.244 -4.971 1.632 1.00 2.05 C ATOM 684 O GLY A 58 14.345 -4.467 1.858 1.00 2.60 O ATOM 0 H GLY A 58 10.991 -6.075 -0.150 1.00 1.71 H new ATOM 0 HA2 GLY A 58 13.004 -6.803 0.559 1.00 2.29 H new ATOM 0 HA3 GLY A 58 13.800 -5.535 -0.352 1.00 2.29 H new ATOM 688 N VAL A 59 12.228 -4.886 2.475 1.00 1.35 N ATOM 689 CA VAL A 59 12.351 -4.176 3.740 1.00 1.13 C ATOM 690 C VAL A 59 11.967 -5.048 4.906 1.00 1.04 C ATOM 691 O VAL A 59 11.506 -6.172 4.745 1.00 1.22 O ATOM 692 CB VAL A 59 11.459 -2.916 3.822 1.00 0.93 C ATOM 693 CG1 VAL A 59 12.035 -1.793 2.993 1.00 1.23 C ATOM 694 CG2 VAL A 59 10.030 -3.217 3.376 1.00 1.00 C ATOM 0 H VAL A 59 11.310 -5.298 2.308 1.00 1.35 H new ATOM 0 HA VAL A 59 13.401 -3.888 3.788 1.00 1.13 H new ATOM 0 HB VAL A 59 11.433 -2.603 4.866 1.00 0.93 H new ATOM 0 HG11 VAL A 59 11.389 -0.918 3.067 1.00 1.23 H new ATOM 0 HG12 VAL A 59 13.030 -1.542 3.361 1.00 1.23 H new ATOM 0 HG13 VAL A 59 12.102 -2.107 1.951 1.00 1.23 H new ATOM 0 HG21 VAL A 59 9.429 -2.311 3.445 1.00 1.00 H new ATOM 0 HG22 VAL A 59 10.037 -3.569 2.345 1.00 1.00 H new ATOM 0 HG23 VAL A 59 9.603 -3.986 4.019 1.00 1.00 H new ATOM 704 N THR A 60 12.202 -4.508 6.076 1.00 1.18 N ATOM 705 CA THR A 60 11.547 -4.951 7.270 1.00 1.30 C ATOM 706 C THR A 60 10.271 -4.124 7.413 1.00 1.16 C ATOM 707 O THR A 60 9.916 -3.405 6.482 1.00 1.15 O ATOM 708 CB THR A 60 12.486 -4.752 8.462 1.00 1.94 C ATOM 709 OG1 THR A 60 13.342 -3.641 8.177 1.00 2.24 O ATOM 710 CG2 THR A 60 13.328 -5.994 8.711 1.00 2.38 C ATOM 0 H THR A 60 12.860 -3.742 6.222 1.00 1.18 H new ATOM 0 HA THR A 60 11.293 -6.010 7.228 1.00 1.30 H new ATOM 0 HB THR A 60 11.894 -4.565 9.358 1.00 1.94 H new ATOM 0 HG1 THR A 60 14.249 -3.838 8.491 1.00 2.24 H new ATOM 0 HG21 THR A 60 13.985 -5.823 9.564 1.00 2.38 H new ATOM 0 HG22 THR A 60 12.674 -6.841 8.921 1.00 2.38 H new ATOM 0 HG23 THR A 60 13.929 -6.210 7.827 1.00 2.38 H new ATOM 718 N VAL A 61 9.586 -4.203 8.538 1.00 1.41 N ATOM 719 CA VAL A 61 8.329 -3.467 8.707 1.00 1.59 C ATOM 720 C VAL A 61 8.476 -1.971 8.394 1.00 1.83 C ATOM 721 O VAL A 61 7.815 -1.448 7.500 1.00 2.11 O ATOM 722 CB VAL A 61 7.734 -3.688 10.123 1.00 1.81 C ATOM 723 CG1 VAL A 61 8.833 -3.771 11.169 1.00 2.21 C ATOM 724 CG2 VAL A 61 6.748 -2.587 10.486 1.00 1.95 C ATOM 0 H VAL A 61 9.867 -4.760 9.345 1.00 1.41 H new ATOM 0 HA VAL A 61 7.629 -3.873 7.977 1.00 1.59 H new ATOM 0 HB VAL A 61 7.197 -4.637 10.106 1.00 1.81 H new ATOM 0 HG11 VAL A 61 8.389 -3.926 12.152 1.00 2.21 H new ATOM 0 HG12 VAL A 61 9.496 -4.604 10.935 1.00 2.21 H new ATOM 0 HG13 VAL A 61 9.404 -2.843 11.171 1.00 2.21 H new ATOM 0 HG21 VAL A 61 6.349 -2.770 11.484 1.00 1.95 H new ATOM 0 HG22 VAL A 61 7.257 -1.623 10.470 1.00 1.95 H new ATOM 0 HG23 VAL A 61 5.931 -2.578 9.764 1.00 1.95 H new ATOM 734 N GLU A 62 9.336 -1.290 9.113 1.00 1.89 N ATOM 735 CA GLU A 62 9.542 0.130 8.903 1.00 2.16 C ATOM 736 C GLU A 62 10.971 0.450 9.265 1.00 1.64 C ATOM 737 O GLU A 62 11.479 1.581 9.126 1.00 1.65 O ATOM 738 CB GLU A 62 8.571 0.891 9.813 1.00 2.87 C ATOM 739 CG GLU A 62 9.026 1.044 11.265 1.00 3.13 C ATOM 740 CD GLU A 62 8.881 -0.221 12.091 1.00 3.57 C ATOM 741 OE1 GLU A 62 7.804 -0.426 12.689 1.00 4.01 O ATOM 742 OE2 GLU A 62 9.853 -0.998 12.175 1.00 3.98 O ATOM 0 H GLU A 62 9.909 -1.695 9.853 1.00 1.89 H new ATOM 0 HA GLU A 62 9.360 0.417 7.867 1.00 2.16 H new ATOM 0 HB2 GLU A 62 8.407 1.884 9.394 1.00 2.87 H new ATOM 0 HB3 GLU A 62 7.610 0.378 9.802 1.00 2.87 H new ATOM 0 HG2 GLU A 62 10.070 1.357 11.277 1.00 3.13 H new ATOM 0 HG3 GLU A 62 8.449 1.841 11.734 1.00 3.13 H new ATOM 749 N ASP A 63 11.633 -0.651 9.506 1.00 1.38 N ATOM 750 CA ASP A 63 12.492 -0.804 10.641 1.00 1.61 C ATOM 751 C ASP A 63 13.165 0.483 11.081 1.00 1.60 C ATOM 752 O ASP A 63 12.651 1.182 11.953 1.00 1.95 O ATOM 753 CB ASP A 63 13.462 -1.942 10.404 1.00 1.89 C ATOM 754 CG ASP A 63 14.086 -2.444 11.690 1.00 2.88 C ATOM 755 OD1 ASP A 63 13.460 -3.278 12.374 1.00 3.62 O ATOM 756 OD2 ASP A 63 15.210 -2.010 12.018 1.00 3.35 O ATOM 0 H ASP A 63 11.587 -1.476 8.908 1.00 1.38 H new ATOM 0 HA ASP A 63 11.866 -1.067 11.494 1.00 1.61 H new ATOM 0 HB2 ASP A 63 12.942 -2.763 9.911 1.00 1.89 H new ATOM 0 HB3 ASP A 63 14.249 -1.610 9.726 1.00 1.89 H new ATOM 761 N SER A 64 14.295 0.809 10.510 1.00 1.54 N ATOM 762 CA SER A 64 14.878 2.108 10.765 1.00 1.81 C ATOM 763 C SER A 64 15.095 2.846 9.470 1.00 1.74 C ATOM 764 O SER A 64 14.824 4.047 9.376 1.00 1.93 O ATOM 765 CB SER A 64 16.213 1.977 11.514 1.00 2.41 C ATOM 766 OG SER A 64 16.752 3.251 11.836 1.00 2.91 O ATOM 0 H SER A 64 14.824 0.209 9.877 1.00 1.54 H new ATOM 0 HA SER A 64 14.183 2.670 11.390 1.00 1.81 H new ATOM 0 HB2 SER A 64 16.065 1.401 12.428 1.00 2.41 H new ATOM 0 HB3 SER A 64 16.924 1.424 10.900 1.00 2.41 H new ATOM 0 HG SER A 64 17.600 3.136 12.313 1.00 2.91 H new ATOM 772 N ASP A 65 15.538 2.104 8.463 1.00 1.69 N ATOM 773 CA ASP A 65 16.013 2.682 7.217 1.00 2.03 C ATOM 774 C ASP A 65 14.979 3.596 6.598 1.00 1.90 C ATOM 775 O ASP A 65 15.320 4.542 5.890 1.00 2.28 O ATOM 776 CB ASP A 65 16.380 1.573 6.227 1.00 2.26 C ATOM 777 CG ASP A 65 16.873 2.109 4.896 1.00 2.89 C ATOM 778 OD1 ASP A 65 18.088 2.373 4.771 1.00 3.46 O ATOM 779 OD2 ASP A 65 16.058 2.260 3.965 1.00 3.35 O ATOM 0 H ASP A 65 15.577 1.085 8.489 1.00 1.69 H new ATOM 0 HA ASP A 65 16.898 3.276 7.445 1.00 2.03 H new ATOM 0 HB2 ASP A 65 17.152 0.941 6.667 1.00 2.26 H new ATOM 0 HB3 ASP A 65 15.508 0.941 6.058 1.00 2.26 H new ATOM 784 N LEU A 66 13.715 3.343 6.886 1.00 1.52 N ATOM 785 CA LEU A 66 12.677 4.065 6.229 1.00 1.61 C ATOM 786 C LEU A 66 11.754 4.718 7.240 1.00 1.45 C ATOM 787 O LEU A 66 10.670 5.179 6.894 1.00 1.72 O ATOM 788 CB LEU A 66 11.930 3.122 5.296 1.00 1.77 C ATOM 789 CG LEU A 66 11.528 1.758 5.878 1.00 1.59 C ATOM 790 CD1 LEU A 66 10.462 1.180 4.980 1.00 1.87 C ATOM 791 CD2 LEU A 66 12.695 0.777 5.956 1.00 1.57 C ATOM 0 H LEU A 66 13.400 2.649 7.564 1.00 1.52 H new ATOM 0 HA LEU A 66 13.106 4.870 5.633 1.00 1.61 H new ATOM 0 HB2 LEU A 66 11.027 3.626 4.953 1.00 1.77 H new ATOM 0 HB3 LEU A 66 12.551 2.948 4.417 1.00 1.77 H new ATOM 0 HG LEU A 66 11.175 1.910 6.898 1.00 1.59 H new ATOM 0 HD11 LEU A 66 10.151 0.208 5.363 1.00 1.87 H new ATOM 0 HD12 LEU A 66 9.604 1.852 4.955 1.00 1.87 H new ATOM 0 HD13 LEU A 66 10.860 1.062 3.972 1.00 1.87 H new ATOM 0 HD21 LEU A 66 12.349 -0.168 6.375 1.00 1.57 H new ATOM 0 HD22 LEU A 66 13.094 0.606 4.956 1.00 1.57 H new ATOM 0 HD23 LEU A 66 13.477 1.191 6.593 1.00 1.57 H new ATOM 803 N ALA A 67 12.212 4.774 8.488 1.00 1.30 N ATOM 804 CA ALA A 67 11.445 5.395 9.550 1.00 1.26 C ATOM 805 C ALA A 67 11.277 6.882 9.290 1.00 1.27 C ATOM 806 O ALA A 67 12.255 7.629 9.198 1.00 1.53 O ATOM 807 CB ALA A 67 12.083 5.148 10.897 1.00 1.48 C ATOM 0 H ALA A 67 13.112 4.395 8.783 1.00 1.30 H new ATOM 0 HA ALA A 67 10.455 4.939 9.564 1.00 1.26 H new ATOM 0 HB1 ALA A 67 11.487 5.625 11.675 1.00 1.48 H new ATOM 0 HB2 ALA A 67 12.133 4.075 11.085 1.00 1.48 H new ATOM 0 HB3 ALA A 67 13.090 5.565 10.905 1.00 1.48 H new ATOM 813 N LEU A 68 10.034 7.301 9.176 1.00 1.15 N ATOM 814 CA LEU A 68 9.716 8.662 8.783 1.00 1.28 C ATOM 815 C LEU A 68 9.029 9.404 9.924 1.00 1.55 C ATOM 816 O LEU A 68 8.421 8.769 10.786 1.00 1.55 O ATOM 817 CB LEU A 68 8.834 8.646 7.526 1.00 1.24 C ATOM 818 CG LEU A 68 9.512 8.080 6.269 1.00 1.18 C ATOM 819 CD1 LEU A 68 8.533 7.997 5.108 1.00 1.20 C ATOM 820 CD2 LEU A 68 10.715 8.927 5.884 1.00 1.18 C ATOM 0 H LEU A 68 9.219 6.714 9.351 1.00 1.15 H new ATOM 0 HA LEU A 68 10.641 9.191 8.553 1.00 1.28 H new ATOM 0 HB2 LEU A 68 7.940 8.059 7.735 1.00 1.24 H new ATOM 0 HB3 LEU A 68 8.505 9.664 7.317 1.00 1.24 H new ATOM 0 HG LEU A 68 9.853 7.070 6.499 1.00 1.18 H new ATOM 0 HD11 LEU A 68 9.041 7.593 4.232 1.00 1.20 H new ATOM 0 HD12 LEU A 68 7.702 7.345 5.379 1.00 1.20 H new ATOM 0 HD13 LEU A 68 8.154 8.993 4.880 1.00 1.20 H new ATOM 0 HD21 LEU A 68 11.182 8.511 4.992 1.00 1.18 H new ATOM 0 HD22 LEU A 68 10.391 9.948 5.682 1.00 1.18 H new ATOM 0 HD23 LEU A 68 11.435 8.930 6.703 1.00 1.18 H new ATOM 832 N PRO A 69 9.146 10.747 9.956 1.00 1.93 N ATOM 833 CA PRO A 69 8.606 11.594 11.029 1.00 2.35 C ATOM 834 C PRO A 69 7.205 11.188 11.479 1.00 2.24 C ATOM 835 O PRO A 69 6.957 11.012 12.673 1.00 2.61 O ATOM 836 CB PRO A 69 8.577 13.001 10.412 1.00 2.74 C ATOM 837 CG PRO A 69 9.065 12.852 9.005 1.00 2.56 C ATOM 838 CD PRO A 69 9.830 11.563 8.951 1.00 2.06 C ATOM 0 HA PRO A 69 9.218 11.515 11.928 1.00 2.35 H new ATOM 0 HB2 PRO A 69 7.568 13.414 10.432 1.00 2.74 H new ATOM 0 HB3 PRO A 69 9.213 13.685 10.974 1.00 2.74 H new ATOM 0 HG2 PRO A 69 8.230 12.836 8.305 1.00 2.56 H new ATOM 0 HG3 PRO A 69 9.701 13.692 8.724 1.00 2.56 H new ATOM 0 HD2 PRO A 69 9.789 11.108 7.962 1.00 2.06 H new ATOM 0 HD3 PRO A 69 10.883 11.706 9.192 1.00 2.06 H new ATOM 846 N GLN A 70 6.297 11.032 10.530 1.00 1.83 N ATOM 847 CA GLN A 70 4.938 10.627 10.847 1.00 1.81 C ATOM 848 C GLN A 70 4.592 9.363 10.079 1.00 1.42 C ATOM 849 O GLN A 70 5.403 8.858 9.301 1.00 1.30 O ATOM 850 CB GLN A 70 3.945 11.741 10.502 1.00 1.92 C ATOM 851 CG GLN A 70 3.661 11.885 9.016 1.00 1.65 C ATOM 852 CD GLN A 70 2.768 13.070 8.719 1.00 2.17 C ATOM 853 OE1 GLN A 70 3.248 14.174 8.469 1.00 2.65 O ATOM 854 NE2 GLN A 70 1.462 12.858 8.763 1.00 2.75 N ATOM 0 H GLN A 70 6.476 11.179 9.537 1.00 1.83 H new ATOM 0 HA GLN A 70 4.871 10.431 11.917 1.00 1.81 H new ATOM 0 HB2 GLN A 70 3.007 11.550 11.023 1.00 1.92 H new ATOM 0 HB3 GLN A 70 4.332 12.687 10.880 1.00 1.92 H new ATOM 0 HG2 GLN A 70 4.602 11.996 8.477 1.00 1.65 H new ATOM 0 HG3 GLN A 70 3.189 10.974 8.648 1.00 1.65 H new ATOM 0 HE21 GLN A 70 1.103 11.927 8.974 1.00 2.75 H new ATOM 0 HE22 GLN A 70 0.814 13.626 8.586 1.00 2.75 H new ATOM 863 N THR A 71 3.396 8.850 10.294 1.00 1.36 N ATOM 864 CA THR A 71 2.952 7.681 9.571 1.00 1.13 C ATOM 865 C THR A 71 2.357 8.087 8.228 1.00 0.86 C ATOM 866 O THR A 71 1.665 9.102 8.111 1.00 0.83 O ATOM 867 CB THR A 71 1.917 6.879 10.378 1.00 1.23 C ATOM 868 OG1 THR A 71 0.816 7.719 10.743 1.00 1.53 O ATOM 869 CG2 THR A 71 2.547 6.281 11.624 1.00 1.55 C ATOM 0 H THR A 71 2.720 9.224 10.960 1.00 1.36 H new ATOM 0 HA THR A 71 3.821 7.044 9.406 1.00 1.13 H new ATOM 0 HB THR A 71 1.554 6.065 9.751 1.00 1.23 H new ATOM 0 HG1 THR A 71 0.163 7.198 11.255 1.00 1.53 H new ATOM 0 HG21 THR A 71 1.795 5.719 12.178 1.00 1.55 H new ATOM 0 HG22 THR A 71 3.360 5.614 11.336 1.00 1.55 H new ATOM 0 HG23 THR A 71 2.939 7.080 12.253 1.00 1.55 H new ATOM 877 N LEU A 72 2.655 7.289 7.218 1.00 0.80 N ATOM 878 CA LEU A 72 2.164 7.522 5.867 1.00 0.65 C ATOM 879 C LEU A 72 0.661 7.264 5.734 1.00 0.65 C ATOM 880 O LEU A 72 0.005 7.970 4.979 1.00 0.66 O ATOM 881 CB LEU A 72 2.952 6.687 4.865 1.00 0.78 C ATOM 882 CG LEU A 72 4.249 7.324 4.355 1.00 0.97 C ATOM 883 CD1 LEU A 72 3.937 8.505 3.454 1.00 1.47 C ATOM 884 CD2 LEU A 72 5.136 7.760 5.510 1.00 1.79 C ATOM 0 H LEU A 72 3.244 6.461 7.309 1.00 0.80 H new ATOM 0 HA LEU A 72 2.318 8.578 5.646 1.00 0.65 H new ATOM 0 HB2 LEU A 72 3.194 5.730 5.326 1.00 0.78 H new ATOM 0 HB3 LEU A 72 2.310 6.475 4.010 1.00 0.78 H new ATOM 0 HG LEU A 72 4.790 6.574 3.778 1.00 0.97 H new ATOM 0 HD11 LEU A 72 4.868 8.948 3.099 1.00 1.47 H new ATOM 0 HD12 LEU A 72 3.348 8.167 2.602 1.00 1.47 H new ATOM 0 HD13 LEU A 72 3.371 9.250 4.013 1.00 1.47 H new ATOM 0 HD21 LEU A 72 6.049 8.208 5.118 1.00 1.79 H new ATOM 0 HD22 LEU A 72 4.606 8.491 6.120 1.00 1.79 H new ATOM 0 HD23 LEU A 72 5.390 6.894 6.121 1.00 1.79 H new ATOM 896 N PRO A 73 0.077 6.253 6.432 1.00 0.75 N ATOM 897 CA PRO A 73 -1.376 6.074 6.462 1.00 0.84 C ATOM 898 C PRO A 73 -2.109 7.380 6.767 1.00 0.80 C ATOM 899 O PRO A 73 -3.103 7.707 6.121 1.00 0.82 O ATOM 900 CB PRO A 73 -1.617 5.054 7.585 1.00 1.03 C ATOM 901 CG PRO A 73 -0.277 4.741 8.174 1.00 1.07 C ATOM 902 CD PRO A 73 0.756 5.182 7.176 1.00 0.84 C ATOM 0 HA PRO A 73 -1.754 5.742 5.495 1.00 0.84 H new ATOM 0 HB2 PRO A 73 -2.287 5.462 8.342 1.00 1.03 H new ATOM 0 HB3 PRO A 73 -2.089 4.152 7.195 1.00 1.03 H new ATOM 0 HG2 PRO A 73 -0.142 5.260 9.123 1.00 1.07 H new ATOM 0 HG3 PRO A 73 -0.185 3.674 8.378 1.00 1.07 H new ATOM 0 HD2 PRO A 73 1.659 5.544 7.667 1.00 0.84 H new ATOM 0 HD3 PRO A 73 1.055 4.365 6.520 1.00 0.84 H new ATOM 910 N GLU A 74 -1.591 8.132 7.732 1.00 0.78 N ATOM 911 CA GLU A 74 -2.173 9.418 8.104 1.00 0.78 C ATOM 912 C GLU A 74 -2.044 10.416 6.953 1.00 0.64 C ATOM 913 O GLU A 74 -2.991 11.140 6.626 1.00 0.64 O ATOM 914 CB GLU A 74 -1.484 9.957 9.357 1.00 0.87 C ATOM 915 CG GLU A 74 -2.067 11.265 9.863 1.00 1.22 C ATOM 916 CD GLU A 74 -1.416 11.727 11.147 1.00 1.48 C ATOM 917 OE1 GLU A 74 -1.900 11.350 12.233 1.00 2.28 O ATOM 918 OE2 GLU A 74 -0.419 12.472 11.078 1.00 1.67 O ATOM 0 H GLU A 74 -0.766 7.873 8.273 1.00 0.78 H new ATOM 0 HA GLU A 74 -3.233 9.277 8.317 1.00 0.78 H new ATOM 0 HB2 GLU A 74 -1.552 9.210 10.148 1.00 0.87 H new ATOM 0 HB3 GLU A 74 -0.425 10.100 9.144 1.00 0.87 H new ATOM 0 HG2 GLU A 74 -1.945 12.034 9.100 1.00 1.22 H new ATOM 0 HG3 GLU A 74 -3.138 11.144 10.025 1.00 1.22 H new ATOM 925 N ILE A 75 -0.868 10.435 6.332 1.00 0.58 N ATOM 926 CA ILE A 75 -0.626 11.279 5.169 1.00 0.53 C ATOM 927 C ILE A 75 -1.596 10.921 4.048 1.00 0.49 C ATOM 928 O ILE A 75 -2.082 11.789 3.323 1.00 0.53 O ATOM 929 CB ILE A 75 0.829 11.136 4.659 1.00 0.60 C ATOM 930 CG1 ILE A 75 1.810 11.602 5.737 1.00 0.73 C ATOM 931 CG2 ILE A 75 1.033 11.925 3.370 1.00 0.68 C ATOM 932 CD1 ILE A 75 3.266 11.499 5.334 1.00 1.38 C ATOM 0 H ILE A 75 -0.066 9.873 6.617 1.00 0.58 H new ATOM 0 HA ILE A 75 -0.783 12.314 5.473 1.00 0.53 H new ATOM 0 HB ILE A 75 1.019 10.085 4.442 1.00 0.60 H new ATOM 0 HG12 ILE A 75 1.587 12.638 5.992 1.00 0.73 H new ATOM 0 HG13 ILE A 75 1.651 11.010 6.638 1.00 0.73 H new ATOM 0 HG21 ILE A 75 2.063 11.809 3.031 1.00 0.68 H new ATOM 0 HG22 ILE A 75 0.355 11.551 2.603 1.00 0.68 H new ATOM 0 HG23 ILE A 75 0.828 12.980 3.553 1.00 0.68 H new ATOM 0 HD11 ILE A 75 3.896 11.848 6.152 1.00 1.38 H new ATOM 0 HD12 ILE A 75 3.508 10.461 5.107 1.00 1.38 H new ATOM 0 HD13 ILE A 75 3.444 12.114 4.452 1.00 1.38 H new ATOM 944 N PHE A 76 -1.900 9.637 3.933 1.00 0.50 N ATOM 945 CA PHE A 76 -2.794 9.156 2.892 1.00 0.56 C ATOM 946 C PHE A 76 -4.244 9.489 3.222 1.00 0.60 C ATOM 947 O PHE A 76 -5.084 9.561 2.334 1.00 0.72 O ATOM 948 CB PHE A 76 -2.621 7.650 2.678 1.00 0.65 C ATOM 949 CG PHE A 76 -1.238 7.252 2.231 1.00 2.05 C ATOM 950 CD1 PHE A 76 -0.326 8.199 1.779 1.00 2.34 C ATOM 951 CD2 PHE A 76 -0.849 5.925 2.266 1.00 2.12 C ATOM 952 CE1 PHE A 76 0.940 7.825 1.375 1.00 2.34 C ATOM 953 CE2 PHE A 76 0.414 5.547 1.861 1.00 2.24 C ATOM 954 CZ PHE A 76 1.309 6.498 1.415 1.00 2.36 C ATOM 0 H PHE A 76 -1.540 8.909 4.549 1.00 0.50 H new ATOM 0 HA PHE A 76 -2.532 9.664 1.964 1.00 0.56 H new ATOM 0 HB2 PHE A 76 -2.855 7.132 3.608 1.00 0.65 H new ATOM 0 HB3 PHE A 76 -3.344 7.313 1.935 1.00 0.65 H new ATOM 0 HD1 PHE A 76 -0.611 9.240 1.743 1.00 2.34 H new ATOM 0 HD2 PHE A 76 -1.543 5.175 2.615 1.00 2.12 H new ATOM 0 HE1 PHE A 76 1.640 8.571 1.028 1.00 2.34 H new ATOM 0 HE2 PHE A 76 0.703 4.507 1.893 1.00 2.24 H new ATOM 0 HZ PHE A 76 2.298 6.202 1.098 1.00 2.36 H new ATOM 964 N GLU A 77 -4.538 9.712 4.495 1.00 0.63 N ATOM 965 CA GLU A 77 -5.864 10.170 4.885 1.00 0.73 C ATOM 966 C GLU A 77 -6.055 11.617 4.461 1.00 0.69 C ATOM 967 O GLU A 77 -7.178 12.115 4.396 1.00 0.80 O ATOM 968 CB GLU A 77 -6.085 10.015 6.388 1.00 0.90 C ATOM 969 CG GLU A 77 -6.000 8.575 6.855 1.00 1.56 C ATOM 970 CD GLU A 77 -6.430 8.392 8.293 1.00 1.94 C ATOM 971 OE1 GLU A 77 -5.640 8.710 9.203 1.00 2.52 O ATOM 972 OE2 GLU A 77 -7.556 7.907 8.518 1.00 2.41 O ATOM 0 H GLU A 77 -3.885 9.585 5.268 1.00 0.63 H new ATOM 0 HA GLU A 77 -6.604 9.550 4.379 1.00 0.73 H new ATOM 0 HB2 GLU A 77 -5.343 10.608 6.922 1.00 0.90 H new ATOM 0 HB3 GLU A 77 -7.063 10.419 6.649 1.00 0.90 H new ATOM 0 HG2 GLU A 77 -6.625 7.954 6.213 1.00 1.56 H new ATOM 0 HG3 GLU A 77 -4.975 8.222 6.741 1.00 1.56 H new ATOM 979 N ALA A 78 -4.949 12.289 4.187 1.00 0.61 N ATOM 980 CA ALA A 78 -4.996 13.616 3.599 1.00 0.62 C ATOM 981 C ALA A 78 -4.968 13.534 2.069 1.00 0.60 C ATOM 982 O ALA A 78 -5.747 14.199 1.388 1.00 0.65 O ATOM 983 CB ALA A 78 -3.834 14.458 4.106 1.00 0.64 C ATOM 0 H ALA A 78 -4.008 11.937 4.363 1.00 0.61 H new ATOM 0 HA ALA A 78 -5.930 14.091 3.898 1.00 0.62 H new ATOM 0 HB1 ALA A 78 -3.881 15.450 3.658 1.00 0.64 H new ATOM 0 HB2 ALA A 78 -3.895 14.547 5.191 1.00 0.64 H new ATOM 0 HB3 ALA A 78 -2.893 13.981 3.833 1.00 0.64 H new ATOM 989 N ALA A 79 -4.081 12.695 1.540 1.00 0.65 N ATOM 990 CA ALA A 79 -3.835 12.633 0.097 1.00 0.75 C ATOM 991 C ALA A 79 -4.815 11.717 -0.640 1.00 0.86 C ATOM 992 O ALA A 79 -5.466 12.141 -1.590 1.00 0.99 O ATOM 993 CB ALA A 79 -2.407 12.182 -0.168 1.00 0.83 C ATOM 0 H ALA A 79 -3.518 12.046 2.089 1.00 0.65 H new ATOM 0 HA ALA A 79 -3.989 13.640 -0.292 1.00 0.75 H new ATOM 0 HB1 ALA A 79 -2.233 12.139 -1.243 1.00 0.83 H new ATOM 0 HB2 ALA A 79 -1.712 12.890 0.284 1.00 0.83 H new ATOM 0 HB3 ALA A 79 -2.251 11.194 0.265 1.00 0.83 H new ATOM 999 N ALA A 80 -4.924 10.467 -0.197 1.00 0.91 N ATOM 1000 CA ALA A 80 -5.720 9.462 -0.906 1.00 1.12 C ATOM 1001 C ALA A 80 -7.212 9.748 -0.799 1.00 1.27 C ATOM 1002 O ALA A 80 -8.025 9.163 -1.516 1.00 1.56 O ATOM 1003 CB ALA A 80 -5.404 8.066 -0.384 1.00 1.25 C ATOM 0 H ALA A 80 -4.472 10.123 0.650 1.00 0.91 H new ATOM 0 HA ALA A 80 -5.451 9.512 -1.961 1.00 1.12 H new ATOM 0 HB1 ALA A 80 -6.004 7.332 -0.922 1.00 1.25 H new ATOM 0 HB2 ALA A 80 -4.346 7.851 -0.536 1.00 1.25 H new ATOM 0 HB3 ALA A 80 -5.635 8.014 0.680 1.00 1.25 H new ATOM 1009 N THR A 81 -7.562 10.646 0.103 1.00 1.23 N ATOM 1010 CA THR A 81 -8.933 11.075 0.270 1.00 1.46 C ATOM 1011 C THR A 81 -9.295 12.129 -0.778 1.00 1.63 C ATOM 1012 O THR A 81 -10.471 12.403 -1.031 1.00 1.89 O ATOM 1013 CB THR A 81 -9.120 11.649 1.681 1.00 1.60 C ATOM 1014 OG1 THR A 81 -8.550 10.748 2.637 1.00 2.33 O ATOM 1015 CG2 THR A 81 -10.583 11.857 2.005 1.00 1.65 C ATOM 0 H THR A 81 -6.903 11.096 0.738 1.00 1.23 H new ATOM 0 HA THR A 81 -9.593 10.217 0.137 1.00 1.46 H new ATOM 0 HB THR A 81 -8.620 12.617 1.723 1.00 1.60 H new ATOM 0 HG1 THR A 81 -8.374 11.227 3.473 1.00 2.33 H new ATOM 0 HG21 THR A 81 -10.678 12.264 3.011 1.00 1.65 H new ATOM 0 HG22 THR A 81 -11.019 12.554 1.289 1.00 1.65 H new ATOM 0 HG23 THR A 81 -11.107 10.903 1.948 1.00 1.65 H new ATOM 1023 N GLY A 82 -8.273 12.698 -1.399 1.00 1.69 N ATOM 1024 CA GLY A 82 -8.477 13.735 -2.384 1.00 2.14 C ATOM 1025 C GLY A 82 -7.321 14.707 -2.413 1.00 2.00 C ATOM 1026 O GLY A 82 -7.048 15.385 -1.418 1.00 2.59 O ATOM 0 H GLY A 82 -7.296 12.455 -1.234 1.00 1.69 H new ATOM 0 HA2 GLY A 82 -8.599 13.284 -3.369 1.00 2.14 H new ATOM 0 HA3 GLY A 82 -9.400 14.272 -2.163 1.00 2.14 H new ATOM 1030 N LYS A 83 -6.631 14.767 -3.541 1.00 1.89 N ATOM 1031 CA LYS A 83 -5.487 15.648 -3.690 1.00 2.11 C ATOM 1032 C LYS A 83 -5.919 16.965 -4.321 1.00 2.84 C ATOM 1033 O LYS A 83 -6.114 17.001 -5.552 1.00 3.20 O ATOM 1034 CB LYS A 83 -4.402 14.980 -4.539 1.00 2.31 C ATOM 1035 CG LYS A 83 -3.116 15.787 -4.624 1.00 2.78 C ATOM 1036 CD LYS A 83 -2.074 15.092 -5.481 1.00 3.44 C ATOM 1037 CE LYS A 83 -0.777 15.885 -5.539 1.00 3.93 C ATOM 1038 NZ LYS A 83 -0.954 17.203 -6.204 1.00 4.41 N ATOM 1039 OXT LYS A 83 -6.067 17.962 -3.580 1.00 3.62 O ATOM 0 H LYS A 83 -6.846 14.212 -4.370 1.00 1.89 H new ATOM 0 HA LYS A 83 -5.073 15.851 -2.702 1.00 2.11 H new ATOM 0 HB2 LYS A 83 -4.179 13.998 -4.122 1.00 2.31 H new ATOM 0 HB3 LYS A 83 -4.788 14.818 -5.546 1.00 2.31 H new ATOM 0 HG2 LYS A 83 -3.331 16.772 -5.039 1.00 2.78 H new ATOM 0 HG3 LYS A 83 -2.717 15.944 -3.622 1.00 2.78 H new ATOM 0 HD2 LYS A 83 -1.876 14.098 -5.079 1.00 3.44 H new ATOM 0 HD3 LYS A 83 -2.464 14.956 -6.490 1.00 3.44 H new ATOM 0 HE2 LYS A 83 -0.401 16.038 -4.527 1.00 3.93 H new ATOM 0 HE3 LYS A 83 -0.024 15.308 -6.075 1.00 3.93 H new ATOM 0 HZ1 LYS A 83 -0.022 17.627 -6.389 1.00 4.41 H new ATOM 0 HZ2 LYS A 83 -1.460 17.073 -7.103 1.00 4.41 H new ATOM 0 HZ3 LYS A 83 -1.504 17.833 -5.586 1.00 4.41 H new ATOM 1054 N MET B 15 -16.085 8.619 4.539 1.00 2.24 N ATOM 1055 CA MET B 15 -15.752 8.029 3.221 1.00 1.67 C ATOM 1056 C MET B 15 -14.962 6.749 3.419 1.00 1.40 C ATOM 1057 O MET B 15 -14.580 6.414 4.539 1.00 1.55 O ATOM 1058 CB MET B 15 -14.924 9.008 2.375 1.00 1.81 C ATOM 1059 CG MET B 15 -13.463 9.122 2.799 1.00 2.21 C ATOM 1060 SD MET B 15 -13.287 9.524 4.553 1.00 3.03 S ATOM 1061 CE MET B 15 -11.518 9.737 4.704 1.00 3.68 C ATOM 0 HA MET B 15 -16.684 7.815 2.697 1.00 1.67 H new ATOM 0 HB2 MET B 15 -14.964 8.693 1.332 1.00 1.81 H new ATOM 0 HB3 MET B 15 -15.384 9.995 2.428 1.00 1.81 H new ATOM 0 HG2 MET B 15 -12.952 8.182 2.591 1.00 2.21 H new ATOM 0 HG3 MET B 15 -12.972 9.890 2.201 1.00 2.21 H new ATOM 0 HE1 MET B 15 -11.105 8.932 5.312 1.00 3.68 H new ATOM 0 HE2 MET B 15 -11.063 9.714 3.714 1.00 3.68 H new ATOM 0 HE3 MET B 15 -11.306 10.695 5.178 1.00 3.68 H new ATOM 1073 N ASP B 16 -14.721 6.041 2.333 1.00 1.24 N ATOM 1074 CA ASP B 16 -13.896 4.852 2.376 1.00 1.13 C ATOM 1075 C ASP B 16 -12.606 5.116 1.618 1.00 0.91 C ATOM 1076 O ASP B 16 -12.441 4.693 0.479 1.00 1.01 O ATOM 1077 CB ASP B 16 -14.636 3.657 1.766 1.00 1.39 C ATOM 1078 CG ASP B 16 -15.880 3.272 2.540 1.00 1.84 C ATOM 1079 OD1 ASP B 16 -16.946 3.880 2.312 1.00 2.27 O ATOM 1080 OD2 ASP B 16 -15.801 2.354 3.375 1.00 2.42 O ATOM 0 H ASP B 16 -15.086 6.270 1.409 1.00 1.24 H new ATOM 0 HA ASP B 16 -13.668 4.611 3.414 1.00 1.13 H new ATOM 0 HB2 ASP B 16 -14.913 3.894 0.739 1.00 1.39 H new ATOM 0 HB3 ASP B 16 -13.961 2.802 1.725 1.00 1.39 H new ATOM 1085 N ASN B 17 -11.695 5.839 2.250 1.00 0.78 N ATOM 1086 CA ASN B 17 -10.443 6.209 1.600 1.00 0.75 C ATOM 1087 C ASN B 17 -9.408 5.105 1.754 1.00 0.62 C ATOM 1088 O ASN B 17 -8.433 5.051 1.011 1.00 0.65 O ATOM 1089 CB ASN B 17 -9.893 7.523 2.164 1.00 0.93 C ATOM 1090 CG ASN B 17 -9.405 7.401 3.597 1.00 1.57 C ATOM 1091 OD1 ASN B 17 -9.916 6.603 4.382 1.00 2.52 O ATOM 1092 ND2 ASN B 17 -8.422 8.210 3.951 1.00 1.71 N ATOM 0 H ASN B 17 -11.796 6.180 3.206 1.00 0.78 H new ATOM 0 HA ASN B 17 -10.653 6.350 0.540 1.00 0.75 H new ATOM 0 HB2 ASN B 17 -9.071 7.865 1.535 1.00 0.93 H new ATOM 0 HB3 ASN B 17 -10.670 8.285 2.115 1.00 0.93 H new ATOM 0 HD21 ASN B 17 -8.061 8.187 4.905 1.00 1.71 H new ATOM 0 HD22 ASN B 17 -8.025 8.858 3.271 1.00 1.71 H new ATOM 1099 N LYS B 18 -9.629 4.219 2.715 1.00 0.59 N ATOM 1100 CA LYS B 18 -8.695 3.136 2.971 1.00 0.62 C ATOM 1101 C LYS B 18 -8.761 2.111 1.849 1.00 0.54 C ATOM 1102 O LYS B 18 -7.736 1.601 1.402 1.00 0.48 O ATOM 1103 CB LYS B 18 -8.973 2.491 4.334 1.00 0.82 C ATOM 1104 CG LYS B 18 -8.964 3.489 5.486 1.00 1.09 C ATOM 1105 CD LYS B 18 -7.630 4.217 5.590 1.00 1.04 C ATOM 1106 CE LYS B 18 -7.709 5.421 6.517 1.00 1.43 C ATOM 1107 NZ LYS B 18 -7.991 5.046 7.929 1.00 1.89 N ATOM 0 H LYS B 18 -10.445 4.230 3.327 1.00 0.59 H new ATOM 0 HA LYS B 18 -7.684 3.543 3.000 1.00 0.62 H new ATOM 0 HB2 LYS B 18 -9.942 1.993 4.302 1.00 0.82 H new ATOM 0 HB3 LYS B 18 -8.225 1.721 4.523 1.00 0.82 H new ATOM 0 HG2 LYS B 18 -9.765 4.215 5.345 1.00 1.09 H new ATOM 0 HG3 LYS B 18 -9.168 2.967 6.421 1.00 1.09 H new ATOM 0 HD2 LYS B 18 -6.868 3.528 5.955 1.00 1.04 H new ATOM 0 HD3 LYS B 18 -7.316 4.543 4.598 1.00 1.04 H new ATOM 0 HE2 LYS B 18 -6.768 5.970 6.473 1.00 1.43 H new ATOM 0 HE3 LYS B 18 -8.488 6.096 6.163 1.00 1.43 H new ATOM 0 HZ1 LYS B 18 -7.933 5.892 8.531 1.00 1.89 H new ATOM 0 HZ2 LYS B 18 -8.945 4.638 7.996 1.00 1.89 H new ATOM 0 HZ3 LYS B 18 -7.292 4.345 8.248 1.00 1.89 H new ATOM 1121 N LYS B 19 -9.968 1.832 1.366 1.00 0.61 N ATOM 1122 CA LYS B 19 -10.130 0.957 0.211 1.00 0.61 C ATOM 1123 C LYS B 19 -9.599 1.636 -1.051 1.00 0.53 C ATOM 1124 O LYS B 19 -9.273 0.974 -2.031 1.00 0.55 O ATOM 1125 CB LYS B 19 -11.597 0.521 0.042 1.00 0.77 C ATOM 1126 CG LYS B 19 -12.608 1.662 0.025 1.00 0.82 C ATOM 1127 CD LYS B 19 -12.792 2.269 -1.362 1.00 1.20 C ATOM 1128 CE LYS B 19 -13.654 1.394 -2.257 1.00 1.06 C ATOM 1129 NZ LYS B 19 -15.065 1.322 -1.796 1.00 1.49 N ATOM 0 H LYS B 19 -10.840 2.195 1.752 1.00 0.61 H new ATOM 0 HA LYS B 19 -9.544 0.054 0.381 1.00 0.61 H new ATOM 0 HB2 LYS B 19 -11.689 -0.040 -0.888 1.00 0.77 H new ATOM 0 HB3 LYS B 19 -11.854 -0.161 0.853 1.00 0.77 H new ATOM 0 HG2 LYS B 19 -13.569 1.295 0.386 1.00 0.82 H new ATOM 0 HG3 LYS B 19 -12.283 2.439 0.716 1.00 0.82 H new ATOM 0 HD2 LYS B 19 -13.250 3.254 -1.269 1.00 1.20 H new ATOM 0 HD3 LYS B 19 -11.817 2.413 -1.827 1.00 1.20 H new ATOM 0 HE2 LYS B 19 -13.627 1.784 -3.275 1.00 1.06 H new ATOM 0 HE3 LYS B 19 -13.234 0.389 -2.289 1.00 1.06 H new ATOM 0 HZ1 LYS B 19 -15.317 0.332 -1.603 1.00 1.49 H new ATOM 0 HZ2 LYS B 19 -15.175 1.883 -0.927 1.00 1.49 H new ATOM 0 HZ3 LYS B 19 -15.691 1.701 -2.535 1.00 1.49 H new ATOM 1143 N ARG B 20 -9.494 2.959 -1.006 1.00 0.55 N ATOM 1144 CA ARG B 20 -8.921 3.716 -2.111 1.00 0.59 C ATOM 1145 C ARG B 20 -7.405 3.745 -2.004 1.00 0.55 C ATOM 1146 O ARG B 20 -6.707 4.118 -2.943 1.00 0.61 O ATOM 1147 CB ARG B 20 -9.474 5.133 -2.177 1.00 0.70 C ATOM 1148 CG ARG B 20 -10.981 5.183 -2.332 1.00 0.82 C ATOM 1149 CD ARG B 20 -11.401 6.400 -3.127 1.00 1.01 C ATOM 1150 NE ARG B 20 -12.765 6.820 -2.813 1.00 1.31 N ATOM 1151 CZ ARG B 20 -13.154 8.095 -2.760 1.00 1.46 C ATOM 1152 NH1 ARG B 20 -12.297 9.067 -3.047 1.00 1.33 N ATOM 1153 NH2 ARG B 20 -14.401 8.398 -2.422 1.00 2.34 N ATOM 0 H ARG B 20 -9.798 3.529 -0.217 1.00 0.55 H new ATOM 0 HA ARG B 20 -9.204 3.210 -3.034 1.00 0.59 H new ATOM 0 HB2 ARG B 20 -9.191 5.668 -1.271 1.00 0.70 H new ATOM 0 HB3 ARG B 20 -9.012 5.657 -3.014 1.00 0.70 H new ATOM 0 HG2 ARG B 20 -11.330 4.279 -2.832 1.00 0.82 H new ATOM 0 HG3 ARG B 20 -11.451 5.206 -1.349 1.00 0.82 H new ATOM 0 HD2 ARG B 20 -10.714 7.221 -2.922 1.00 1.01 H new ATOM 0 HD3 ARG B 20 -11.326 6.180 -4.192 1.00 1.01 H new ATOM 0 HE ARG B 20 -13.459 6.097 -2.624 1.00 1.31 H new ATOM 0 HH11 ARG B 20 -11.338 8.840 -3.309 1.00 1.33 H new ATOM 0 HH12 ARG B 20 -12.598 10.041 -3.006 1.00 1.33 H new ATOM 0 HH21 ARG B 20 -15.065 7.655 -2.202 1.00 2.34 H new ATOM 0 HH22 ARG B 20 -14.696 9.374 -2.382 1.00 2.34 H new ATOM 1167 N LEU B 21 -6.894 3.393 -0.842 1.00 0.54 N ATOM 1168 CA LEU B 21 -5.469 3.201 -0.697 1.00 0.58 C ATOM 1169 C LEU B 21 -5.069 1.897 -1.375 1.00 0.57 C ATOM 1170 O LEU B 21 -4.005 1.800 -1.977 1.00 0.64 O ATOM 1171 CB LEU B 21 -5.059 3.210 0.777 1.00 0.64 C ATOM 1172 CG LEU B 21 -3.599 2.844 1.052 1.00 0.60 C ATOM 1173 CD1 LEU B 21 -2.660 3.613 0.135 1.00 0.70 C ATOM 1174 CD2 LEU B 21 -3.249 3.145 2.493 1.00 0.61 C ATOM 0 H LEU B 21 -7.438 3.236 0.006 1.00 0.54 H new ATOM 0 HA LEU B 21 -4.945 4.027 -1.178 1.00 0.58 H new ATOM 0 HB2 LEU B 21 -5.250 4.203 1.184 1.00 0.64 H new ATOM 0 HB3 LEU B 21 -5.699 2.514 1.319 1.00 0.64 H new ATOM 0 HG LEU B 21 -3.480 1.778 0.860 1.00 0.60 H new ATOM 0 HD11 LEU B 21 -1.629 3.333 0.352 1.00 0.70 H new ATOM 0 HD12 LEU B 21 -2.889 3.374 -0.904 1.00 0.70 H new ATOM 0 HD13 LEU B 21 -2.788 4.683 0.298 1.00 0.70 H new ATOM 0 HD21 LEU B 21 -2.208 2.881 2.677 1.00 0.61 H new ATOM 0 HD22 LEU B 21 -3.394 4.208 2.688 1.00 0.61 H new ATOM 0 HD23 LEU B 21 -3.893 2.564 3.153 1.00 0.61 H new ATOM 1186 N ALA B 22 -5.945 0.901 -1.302 1.00 0.55 N ATOM 1187 CA ALA B 22 -5.737 -0.337 -2.041 1.00 0.63 C ATOM 1188 C ALA B 22 -5.723 -0.044 -3.531 1.00 0.51 C ATOM 1189 O ALA B 22 -5.006 -0.686 -4.295 1.00 0.44 O ATOM 1190 CB ALA B 22 -6.820 -1.351 -1.720 1.00 0.83 C ATOM 0 H ALA B 22 -6.798 0.926 -0.744 1.00 0.55 H new ATOM 0 HA ALA B 22 -4.778 -0.761 -1.744 1.00 0.63 H new ATOM 0 HB1 ALA B 22 -6.641 -2.266 -2.285 1.00 0.83 H new ATOM 0 HB2 ALA B 22 -6.805 -1.574 -0.653 1.00 0.83 H new ATOM 0 HB3 ALA B 22 -7.793 -0.942 -1.991 1.00 0.83 H new ATOM 1196 N TYR B 23 -6.526 0.943 -3.922 1.00 0.62 N ATOM 1197 CA TYR B 23 -6.526 1.459 -5.283 1.00 0.75 C ATOM 1198 C TYR B 23 -5.101 1.779 -5.701 1.00 0.66 C ATOM 1199 O TYR B 23 -4.634 1.346 -6.747 1.00 0.66 O ATOM 1200 CB TYR B 23 -7.386 2.725 -5.344 1.00 1.10 C ATOM 1201 CG TYR B 23 -7.551 3.342 -6.716 1.00 1.02 C ATOM 1202 CD1 TYR B 23 -8.596 2.963 -7.539 1.00 1.86 C ATOM 1203 CD2 TYR B 23 -6.677 4.318 -7.177 1.00 1.46 C ATOM 1204 CE1 TYR B 23 -8.779 3.535 -8.778 1.00 2.48 C ATOM 1205 CE2 TYR B 23 -6.845 4.894 -8.423 1.00 1.83 C ATOM 1206 CZ TYR B 23 -7.899 4.499 -9.220 1.00 2.22 C ATOM 1207 OH TYR B 23 -8.080 5.081 -10.455 1.00 2.99 O ATOM 0 H TYR B 23 -7.193 1.405 -3.303 1.00 0.62 H new ATOM 0 HA TYR B 23 -6.938 0.712 -5.961 1.00 0.75 H new ATOM 0 HB2 TYR B 23 -8.375 2.489 -4.951 1.00 1.10 H new ATOM 0 HB3 TYR B 23 -6.949 3.471 -4.681 1.00 1.10 H new ATOM 0 HD1 TYR B 23 -9.284 2.201 -7.202 1.00 1.86 H new ATOM 0 HD2 TYR B 23 -5.853 4.632 -6.553 1.00 1.46 H new ATOM 0 HE1 TYR B 23 -9.608 3.230 -9.400 1.00 2.48 H new ATOM 0 HE2 TYR B 23 -6.155 5.649 -8.770 1.00 1.83 H new ATOM 0 HH TYR B 23 -7.373 5.741 -10.612 1.00 2.99 H new ATOM 1217 N ALA B 24 -4.412 2.523 -4.845 1.00 0.72 N ATOM 1218 CA ALA B 24 -3.023 2.893 -5.069 1.00 0.87 C ATOM 1219 C ALA B 24 -2.149 1.669 -5.259 1.00 0.75 C ATOM 1220 O ALA B 24 -1.345 1.601 -6.189 1.00 0.84 O ATOM 1221 CB ALA B 24 -2.507 3.685 -3.884 1.00 1.14 C ATOM 0 H ALA B 24 -4.802 2.887 -3.975 1.00 0.72 H new ATOM 0 HA ALA B 24 -2.981 3.496 -5.976 1.00 0.87 H new ATOM 0 HB1 ALA B 24 -1.466 3.960 -4.056 1.00 1.14 H new ATOM 0 HB2 ALA B 24 -3.106 4.588 -3.761 1.00 1.14 H new ATOM 0 HB3 ALA B 24 -2.578 3.077 -2.982 1.00 1.14 H new ATOM 1227 N ILE B 25 -2.331 0.708 -4.372 1.00 0.63 N ATOM 1228 CA ILE B 25 -1.470 -0.459 -4.314 1.00 0.71 C ATOM 1229 C ILE B 25 -1.664 -1.316 -5.548 1.00 0.61 C ATOM 1230 O ILE B 25 -0.716 -1.593 -6.275 1.00 0.66 O ATOM 1231 CB ILE B 25 -1.745 -1.329 -3.067 1.00 0.80 C ATOM 1232 CG1 ILE B 25 -1.986 -0.466 -1.825 1.00 0.97 C ATOM 1233 CG2 ILE B 25 -0.582 -2.281 -2.828 1.00 0.91 C ATOM 1234 CD1 ILE B 25 -0.865 0.500 -1.513 1.00 0.89 C ATOM 0 H ILE B 25 -3.076 0.714 -3.675 1.00 0.63 H new ATOM 0 HA ILE B 25 -0.446 -0.089 -4.260 1.00 0.71 H new ATOM 0 HB ILE B 25 -2.650 -1.907 -3.253 1.00 0.80 H new ATOM 0 HG12 ILE B 25 -2.909 0.098 -1.962 1.00 0.97 H new ATOM 0 HG13 ILE B 25 -2.137 -1.120 -0.966 1.00 0.97 H new ATOM 0 HG21 ILE B 25 -0.785 -2.890 -1.947 1.00 0.91 H new ATOM 0 HG22 ILE B 25 -0.458 -2.929 -3.696 1.00 0.91 H new ATOM 0 HG23 ILE B 25 0.331 -1.707 -2.670 1.00 0.91 H new ATOM 0 HD11 ILE B 25 -1.116 1.072 -0.620 1.00 0.89 H new ATOM 0 HD12 ILE B 25 0.057 -0.056 -1.341 1.00 0.89 H new ATOM 0 HD13 ILE B 25 -0.727 1.181 -2.353 1.00 0.89 H new ATOM 1246 N ILE B 26 -2.902 -1.705 -5.797 1.00 0.53 N ATOM 1247 CA ILE B 26 -3.204 -2.587 -6.906 1.00 0.53 C ATOM 1248 C ILE B 26 -2.900 -1.900 -8.236 1.00 0.51 C ATOM 1249 O ILE B 26 -2.389 -2.529 -9.155 1.00 0.53 O ATOM 1250 CB ILE B 26 -4.672 -3.061 -6.882 1.00 0.58 C ATOM 1251 CG1 ILE B 26 -5.029 -3.628 -5.502 1.00 0.67 C ATOM 1252 CG2 ILE B 26 -4.887 -4.115 -7.956 1.00 0.62 C ATOM 1253 CD1 ILE B 26 -6.484 -4.029 -5.355 1.00 0.78 C ATOM 0 H ILE B 26 -3.713 -1.423 -5.246 1.00 0.53 H new ATOM 0 HA ILE B 26 -2.568 -3.466 -6.801 1.00 0.53 H new ATOM 0 HB ILE B 26 -5.322 -2.210 -7.082 1.00 0.58 H new ATOM 0 HG12 ILE B 26 -4.402 -4.498 -5.305 1.00 0.67 H new ATOM 0 HG13 ILE B 26 -4.790 -2.884 -4.742 1.00 0.67 H new ATOM 0 HG21 ILE B 26 -5.925 -4.448 -7.937 1.00 0.62 H new ATOM 0 HG22 ILE B 26 -4.661 -3.690 -8.934 1.00 0.62 H new ATOM 0 HG23 ILE B 26 -4.230 -4.964 -7.769 1.00 0.62 H new ATOM 0 HD11 ILE B 26 -6.654 -4.420 -4.352 1.00 0.78 H new ATOM 0 HD12 ILE B 26 -7.120 -3.159 -5.518 1.00 0.78 H new ATOM 0 HD13 ILE B 26 -6.726 -4.797 -6.089 1.00 0.78 H new ATOM 1265 N GLN B 27 -3.189 -0.604 -8.325 1.00 0.54 N ATOM 1266 CA GLN B 27 -2.878 0.172 -9.527 1.00 0.62 C ATOM 1267 C GLN B 27 -1.373 0.204 -9.789 1.00 0.55 C ATOM 1268 O GLN B 27 -0.918 -0.070 -10.906 1.00 0.57 O ATOM 1269 CB GLN B 27 -3.425 1.600 -9.403 1.00 0.79 C ATOM 1270 CG GLN B 27 -4.897 1.729 -9.783 1.00 0.89 C ATOM 1271 CD GLN B 27 -5.148 1.399 -11.238 1.00 1.10 C ATOM 1272 OE1 GLN B 27 -5.078 2.269 -12.105 1.00 1.58 O ATOM 1273 NE2 GLN B 27 -5.452 0.144 -11.515 1.00 1.34 N ATOM 0 H GLN B 27 -3.637 -0.068 -7.582 1.00 0.54 H new ATOM 0 HA GLN B 27 -3.360 -0.317 -10.374 1.00 0.62 H new ATOM 0 HB2 GLN B 27 -3.293 1.942 -8.377 1.00 0.79 H new ATOM 0 HB3 GLN B 27 -2.836 2.262 -10.038 1.00 0.79 H new ATOM 0 HG2 GLN B 27 -5.491 1.065 -9.155 1.00 0.89 H new ATOM 0 HG3 GLN B 27 -5.234 2.746 -9.580 1.00 0.89 H new ATOM 0 HE21 GLN B 27 -5.499 -0.547 -10.766 1.00 1.34 H new ATOM 0 HE22 GLN B 27 -5.639 -0.135 -12.478 1.00 1.34 H new ATOM 1282 N PHE B 28 -0.602 0.527 -8.755 1.00 0.52 N ATOM 1283 CA PHE B 28 0.850 0.596 -8.870 1.00 0.51 C ATOM 1284 C PHE B 28 1.420 -0.776 -9.183 1.00 0.43 C ATOM 1285 O PHE B 28 2.109 -0.968 -10.187 1.00 0.42 O ATOM 1286 CB PHE B 28 1.463 1.117 -7.565 1.00 0.60 C ATOM 1287 CG PHE B 28 2.957 1.288 -7.612 1.00 0.90 C ATOM 1288 CD1 PHE B 28 3.579 1.807 -8.738 1.00 1.60 C ATOM 1289 CD2 PHE B 28 3.738 0.936 -6.524 1.00 1.62 C ATOM 1290 CE1 PHE B 28 4.949 1.970 -8.776 1.00 1.98 C ATOM 1291 CE2 PHE B 28 5.108 1.097 -6.556 1.00 1.96 C ATOM 1292 CZ PHE B 28 5.715 1.613 -7.685 1.00 1.83 C ATOM 0 H PHE B 28 -0.961 0.746 -7.825 1.00 0.52 H new ATOM 0 HA PHE B 28 1.097 1.281 -9.681 1.00 0.51 H new ATOM 0 HB2 PHE B 28 1.006 2.076 -7.319 1.00 0.60 H new ATOM 0 HB3 PHE B 28 1.212 0.428 -6.758 1.00 0.60 H new ATOM 0 HD1 PHE B 28 2.984 2.087 -9.595 1.00 1.60 H new ATOM 0 HD2 PHE B 28 3.269 0.531 -5.640 1.00 1.62 H new ATOM 0 HE1 PHE B 28 5.421 2.376 -9.658 1.00 1.98 H new ATOM 0 HE2 PHE B 28 5.705 0.820 -5.700 1.00 1.96 H new ATOM 0 HZ PHE B 28 6.788 1.737 -7.714 1.00 1.83 H new ATOM 1302 N LEU B 29 1.102 -1.726 -8.322 1.00 0.45 N ATOM 1303 CA LEU B 29 1.627 -3.082 -8.424 1.00 0.45 C ATOM 1304 C LEU B 29 1.224 -3.744 -9.736 1.00 0.45 C ATOM 1305 O LEU B 29 1.981 -4.536 -10.279 1.00 0.48 O ATOM 1306 CB LEU B 29 1.167 -3.934 -7.237 1.00 0.53 C ATOM 1307 CG LEU B 29 2.019 -3.822 -5.961 1.00 0.59 C ATOM 1308 CD1 LEU B 29 2.117 -2.382 -5.473 1.00 0.57 C ATOM 1309 CD2 LEU B 29 1.447 -4.714 -4.870 1.00 0.70 C ATOM 0 H LEU B 29 0.473 -1.583 -7.532 1.00 0.45 H new ATOM 0 HA LEU B 29 2.715 -3.011 -8.405 1.00 0.45 H new ATOM 0 HB2 LEU B 29 0.142 -3.658 -6.992 1.00 0.53 H new ATOM 0 HB3 LEU B 29 1.150 -4.978 -7.549 1.00 0.53 H new ATOM 0 HG LEU B 29 3.028 -4.155 -6.204 1.00 0.59 H new ATOM 0 HD11 LEU B 29 2.727 -2.344 -4.570 1.00 0.57 H new ATOM 0 HD12 LEU B 29 2.576 -1.766 -6.247 1.00 0.57 H new ATOM 0 HD13 LEU B 29 1.119 -2.004 -5.253 1.00 0.57 H new ATOM 0 HD21 LEU B 29 2.058 -4.627 -3.971 1.00 0.70 H new ATOM 0 HD22 LEU B 29 0.426 -4.406 -4.646 1.00 0.70 H new ATOM 0 HD23 LEU B 29 1.447 -5.750 -5.210 1.00 0.70 H new ATOM 1321 N HIS B 30 0.041 -3.410 -10.243 1.00 0.47 N ATOM 1322 CA HIS B 30 -0.438 -3.947 -11.519 1.00 0.53 C ATOM 1323 C HIS B 30 0.559 -3.670 -12.638 1.00 0.48 C ATOM 1324 O HIS B 30 1.058 -4.589 -13.290 1.00 0.49 O ATOM 1325 CB HIS B 30 -1.796 -3.328 -11.871 1.00 0.67 C ATOM 1326 CG HIS B 30 -2.341 -3.729 -13.208 1.00 0.94 C ATOM 1327 ND1 HIS B 30 -2.220 -2.944 -14.339 1.00 1.11 N ATOM 1328 CD2 HIS B 30 -3.031 -4.830 -13.589 1.00 1.18 C ATOM 1329 CE1 HIS B 30 -2.813 -3.549 -15.353 1.00 1.38 C ATOM 1330 NE2 HIS B 30 -3.311 -4.693 -14.925 1.00 1.41 N ATOM 0 H HIS B 30 -0.608 -2.767 -9.790 1.00 0.47 H new ATOM 0 HA HIS B 30 -0.546 -5.026 -11.414 1.00 0.53 H new ATOM 0 HB2 HIS B 30 -2.517 -3.606 -11.102 1.00 0.67 H new ATOM 0 HB3 HIS B 30 -1.703 -2.242 -11.843 1.00 0.67 H new ATOM 0 HD1 HIS B 30 -1.748 -2.041 -14.384 1.00 1.11 H new ATOM 0 HD2 HIS B 30 -3.309 -5.661 -12.958 1.00 1.18 H new ATOM 0 HE1 HIS B 30 -2.879 -3.171 -16.362 1.00 1.38 H new ATOM 1339 N ASP B 31 0.852 -2.399 -12.855 1.00 0.48 N ATOM 1340 CA ASP B 31 1.738 -2.006 -13.940 1.00 0.52 C ATOM 1341 C ASP B 31 3.188 -2.301 -13.597 1.00 0.45 C ATOM 1342 O ASP B 31 3.962 -2.714 -14.459 1.00 0.50 O ATOM 1343 CB ASP B 31 1.549 -0.530 -14.286 1.00 0.63 C ATOM 1344 CG ASP B 31 0.313 -0.301 -15.131 1.00 1.24 C ATOM 1345 OD1 ASP B 31 -0.813 -0.503 -14.622 1.00 1.98 O ATOM 1346 OD2 ASP B 31 0.460 0.055 -16.318 1.00 1.79 O ATOM 0 H ASP B 31 0.492 -1.624 -12.298 1.00 0.48 H new ATOM 0 HA ASP B 31 1.477 -2.597 -14.818 1.00 0.52 H new ATOM 0 HB2 ASP B 31 1.473 0.051 -13.367 1.00 0.63 H new ATOM 0 HB3 ASP B 31 2.427 -0.167 -14.821 1.00 0.63 H new ATOM 1351 N GLN B 32 3.548 -2.117 -12.334 1.00 0.42 N ATOM 1352 CA GLN B 32 4.898 -2.420 -11.868 1.00 0.44 C ATOM 1353 C GLN B 32 5.203 -3.903 -12.068 1.00 0.38 C ATOM 1354 O GLN B 32 6.336 -4.284 -12.366 1.00 0.43 O ATOM 1355 CB GLN B 32 5.040 -2.047 -10.394 1.00 0.52 C ATOM 1356 CG GLN B 32 6.470 -2.083 -9.885 1.00 0.57 C ATOM 1357 CD GLN B 32 6.576 -1.687 -8.426 1.00 1.17 C ATOM 1358 OE1 GLN B 32 7.577 -1.114 -8.000 1.00 1.93 O ATOM 1359 NE2 GLN B 32 5.552 -1.999 -7.646 1.00 1.31 N ATOM 0 H GLN B 32 2.924 -1.759 -11.611 1.00 0.42 H new ATOM 0 HA GLN B 32 5.611 -1.834 -12.449 1.00 0.44 H new ATOM 0 HB2 GLN B 32 4.636 -1.046 -10.242 1.00 0.52 H new ATOM 0 HB3 GLN B 32 4.435 -2.729 -9.797 1.00 0.52 H new ATOM 0 HG2 GLN B 32 6.874 -3.087 -10.016 1.00 0.57 H new ATOM 0 HG3 GLN B 32 7.083 -1.412 -10.486 1.00 0.57 H new ATOM 0 HE21 GLN B 32 4.739 -2.475 -8.038 1.00 1.31 H new ATOM 0 HE22 GLN B 32 5.576 -1.764 -6.654 1.00 1.31 H new ATOM 1368 N LEU B 33 4.173 -4.728 -11.915 1.00 0.37 N ATOM 1369 CA LEU B 33 4.283 -6.164 -12.134 1.00 0.42 C ATOM 1370 C LEU B 33 4.603 -6.437 -13.597 1.00 0.46 C ATOM 1371 O LEU B 33 5.552 -7.151 -13.918 1.00 0.53 O ATOM 1372 CB LEU B 33 2.962 -6.846 -11.752 1.00 0.53 C ATOM 1373 CG LEU B 33 3.078 -8.194 -11.036 1.00 0.80 C ATOM 1374 CD1 LEU B 33 3.641 -9.256 -11.962 1.00 1.22 C ATOM 1375 CD2 LEU B 33 3.939 -8.054 -9.793 1.00 0.83 C ATOM 0 H LEU B 33 3.241 -4.420 -11.636 1.00 0.37 H new ATOM 0 HA LEU B 33 5.085 -6.564 -11.513 1.00 0.42 H new ATOM 0 HB2 LEU B 33 2.398 -6.166 -11.113 1.00 0.53 H new ATOM 0 HB3 LEU B 33 2.376 -6.990 -12.660 1.00 0.53 H new ATOM 0 HG LEU B 33 2.079 -8.510 -10.735 1.00 0.80 H new ATOM 0 HD11 LEU B 33 3.713 -10.203 -11.428 1.00 1.22 H new ATOM 0 HD12 LEU B 33 2.983 -9.374 -12.823 1.00 1.22 H new ATOM 0 HD13 LEU B 33 4.632 -8.955 -12.301 1.00 1.22 H new ATOM 0 HD21 LEU B 33 4.014 -9.019 -9.292 1.00 0.83 H new ATOM 0 HD22 LEU B 33 4.935 -7.714 -10.077 1.00 0.83 H new ATOM 0 HD23 LEU B 33 3.487 -7.329 -9.117 1.00 0.83 H new ATOM 1387 N ARG B 34 3.815 -5.833 -14.477 1.00 0.47 N ATOM 1388 CA ARG B 34 3.974 -6.017 -15.912 1.00 0.59 C ATOM 1389 C ARG B 34 5.317 -5.467 -16.391 1.00 0.58 C ATOM 1390 O ARG B 34 5.903 -5.982 -17.339 1.00 0.69 O ATOM 1391 CB ARG B 34 2.830 -5.328 -16.661 1.00 0.70 C ATOM 1392 CG ARG B 34 2.796 -5.621 -18.157 1.00 1.41 C ATOM 1393 CD ARG B 34 2.307 -7.033 -18.456 1.00 1.46 C ATOM 1394 NE ARG B 34 3.234 -8.068 -17.992 1.00 2.18 N ATOM 1395 CZ ARG B 34 2.865 -9.310 -17.678 1.00 2.53 C ATOM 1396 NH1 ARG B 34 1.592 -9.674 -17.786 1.00 2.19 N ATOM 1397 NH2 ARG B 34 3.767 -10.188 -17.262 1.00 3.50 N ATOM 0 H ARG B 34 3.053 -5.206 -14.218 1.00 0.47 H new ATOM 0 HA ARG B 34 3.948 -7.086 -16.121 1.00 0.59 H new ATOM 0 HB2 ARG B 34 1.883 -5.639 -16.220 1.00 0.70 H new ATOM 0 HB3 ARG B 34 2.912 -4.251 -16.515 1.00 0.70 H new ATOM 0 HG2 ARG B 34 2.145 -4.900 -18.652 1.00 1.41 H new ATOM 0 HG3 ARG B 34 3.794 -5.488 -18.574 1.00 1.41 H new ATOM 0 HD2 ARG B 34 1.336 -7.184 -17.983 1.00 1.46 H new ATOM 0 HD3 ARG B 34 2.159 -7.141 -19.530 1.00 1.46 H new ATOM 0 HE ARG B 34 4.220 -7.824 -17.904 1.00 2.18 H new ATOM 0 HH11 ARG B 34 0.895 -9.003 -18.110 1.00 2.19 H new ATOM 0 HH12 ARG B 34 1.311 -10.625 -17.545 1.00 2.19 H new ATOM 0 HH21 ARG B 34 4.746 -9.914 -17.181 1.00 3.50 H new ATOM 0 HH22 ARG B 34 3.482 -11.138 -17.022 1.00 3.50 H new ATOM 1411 N HIS B 35 5.803 -4.422 -15.728 1.00 0.53 N ATOM 1412 CA HIS B 35 7.069 -3.799 -16.108 1.00 0.59 C ATOM 1413 C HIS B 35 8.252 -4.560 -15.520 1.00 0.58 C ATOM 1414 O HIS B 35 9.402 -4.331 -15.897 1.00 0.74 O ATOM 1415 CB HIS B 35 7.134 -2.335 -15.651 1.00 0.59 C ATOM 1416 CG HIS B 35 6.067 -1.453 -16.229 1.00 1.17 C ATOM 1417 ND1 HIS B 35 5.598 -0.330 -15.583 1.00 1.99 N ATOM 1418 CD2 HIS B 35 5.377 -1.531 -17.392 1.00 1.62 C ATOM 1419 CE1 HIS B 35 4.667 0.244 -16.322 1.00 2.69 C ATOM 1420 NE2 HIS B 35 4.515 -0.464 -17.424 1.00 2.43 N ATOM 0 H HIS B 35 5.342 -3.989 -14.928 1.00 0.53 H new ATOM 0 HA HIS B 35 7.124 -3.832 -17.196 1.00 0.59 H new ATOM 0 HB2 HIS B 35 7.063 -2.304 -14.564 1.00 0.59 H new ATOM 0 HB3 HIS B 35 8.109 -1.927 -15.919 1.00 0.59 H new ATOM 0 HD2 HIS B 35 5.485 -2.291 -18.152 1.00 1.62 H new ATOM 0 HE1 HIS B 35 4.122 1.141 -16.067 1.00 2.69 H new ATOM 0 HE2 HIS B 35 3.862 -0.253 -18.178 1.00 2.43 H new ATOM 1429 N GLY B 36 7.959 -5.468 -14.595 1.00 0.49 N ATOM 1430 CA GLY B 36 9.002 -6.237 -13.942 1.00 0.51 C ATOM 1431 C GLY B 36 9.830 -5.388 -13.000 1.00 0.47 C ATOM 1432 O GLY B 36 11.040 -5.569 -12.896 1.00 0.53 O ATOM 0 H GLY B 36 7.012 -5.686 -14.285 1.00 0.49 H new ATOM 0 HA2 GLY B 36 8.552 -7.060 -13.387 1.00 0.51 H new ATOM 0 HA3 GLY B 36 9.652 -6.680 -14.697 1.00 0.51 H new ATOM 1436 N GLY B 37 9.167 -4.462 -12.310 1.00 0.41 N ATOM 1437 CA GLY B 37 9.858 -3.548 -11.415 1.00 0.40 C ATOM 1438 C GLY B 37 10.563 -4.263 -10.280 1.00 0.39 C ATOM 1439 O GLY B 37 11.605 -3.816 -9.807 1.00 0.53 O ATOM 0 H GLY B 37 8.157 -4.328 -12.356 1.00 0.41 H new ATOM 0 HA2 GLY B 37 10.587 -2.971 -11.984 1.00 0.40 H new ATOM 0 HA3 GLY B 37 9.141 -2.838 -11.002 1.00 0.40 H new ATOM 1443 N LEU B 38 9.988 -5.371 -9.840 1.00 0.36 N ATOM 1444 CA LEU B 38 10.589 -6.183 -8.791 1.00 0.41 C ATOM 1445 C LEU B 38 11.051 -7.514 -9.367 1.00 0.49 C ATOM 1446 O LEU B 38 10.492 -7.998 -10.355 1.00 0.83 O ATOM 1447 CB LEU B 38 9.596 -6.426 -7.645 1.00 0.44 C ATOM 1448 CG LEU B 38 9.345 -5.239 -6.700 1.00 0.44 C ATOM 1449 CD1 LEU B 38 10.655 -4.698 -6.152 1.00 0.51 C ATOM 1450 CD2 LEU B 38 8.574 -4.136 -7.399 1.00 0.47 C ATOM 0 H LEU B 38 9.102 -5.731 -10.194 1.00 0.36 H new ATOM 0 HA LEU B 38 11.447 -5.643 -8.391 1.00 0.41 H new ATOM 0 HB2 LEU B 38 8.642 -6.728 -8.077 1.00 0.44 H new ATOM 0 HB3 LEU B 38 9.957 -7.266 -7.051 1.00 0.44 H new ATOM 0 HG LEU B 38 8.743 -5.602 -5.867 1.00 0.44 H new ATOM 0 HD11 LEU B 38 10.452 -3.859 -5.486 1.00 0.51 H new ATOM 0 HD12 LEU B 38 11.170 -5.484 -5.599 1.00 0.51 H new ATOM 0 HD13 LEU B 38 11.284 -4.363 -6.977 1.00 0.51 H new ATOM 0 HD21 LEU B 38 8.411 -3.310 -6.706 1.00 0.47 H new ATOM 0 HD22 LEU B 38 9.144 -3.782 -8.258 1.00 0.47 H new ATOM 0 HD23 LEU B 38 7.612 -4.522 -7.736 1.00 0.47 H new ATOM 1462 N SER B 39 12.068 -8.104 -8.745 1.00 0.47 N ATOM 1463 CA SER B 39 12.620 -9.367 -9.210 1.00 0.54 C ATOM 1464 C SER B 39 11.642 -10.507 -8.920 1.00 0.48 C ATOM 1465 O SER B 39 10.663 -10.306 -8.214 1.00 0.45 O ATOM 1466 CB SER B 39 13.979 -9.623 -8.550 1.00 0.67 C ATOM 1467 OG SER B 39 14.630 -10.745 -9.123 1.00 1.42 O ATOM 0 H SER B 39 12.525 -7.724 -7.916 1.00 0.47 H new ATOM 0 HA SER B 39 12.771 -9.316 -10.288 1.00 0.54 H new ATOM 0 HB2 SER B 39 14.609 -8.740 -8.658 1.00 0.67 H new ATOM 0 HB3 SER B 39 13.841 -9.787 -7.481 1.00 0.67 H new ATOM 0 HG SER B 39 15.495 -10.882 -8.682 1.00 1.42 H new ATOM 1473 N SER B 40 11.932 -11.691 -9.453 1.00 0.59 N ATOM 1474 CA SER B 40 11.001 -12.825 -9.462 1.00 0.61 C ATOM 1475 C SER B 40 10.248 -13.020 -8.137 1.00 0.53 C ATOM 1476 O SER B 40 9.013 -13.003 -8.113 1.00 0.49 O ATOM 1477 CB SER B 40 11.771 -14.094 -9.813 1.00 0.77 C ATOM 1478 OG SER B 40 12.592 -13.881 -10.951 1.00 1.63 O ATOM 0 H SER B 40 12.828 -11.896 -9.896 1.00 0.59 H new ATOM 0 HA SER B 40 10.240 -12.607 -10.211 1.00 0.61 H new ATOM 0 HB2 SER B 40 12.386 -14.399 -8.966 1.00 0.77 H new ATOM 0 HB3 SER B 40 11.072 -14.907 -10.009 1.00 0.77 H new ATOM 0 HG SER B 40 13.080 -14.704 -11.161 1.00 1.63 H new ATOM 1484 N ASP B 41 10.984 -13.193 -7.041 1.00 0.57 N ATOM 1485 CA ASP B 41 10.371 -13.478 -5.741 1.00 0.58 C ATOM 1486 C ASP B 41 9.527 -12.304 -5.260 1.00 0.53 C ATOM 1487 O ASP B 41 8.425 -12.485 -4.745 1.00 0.55 O ATOM 1488 CB ASP B 41 11.437 -13.803 -4.689 1.00 0.71 C ATOM 1489 CG ASP B 41 12.231 -15.048 -5.018 1.00 1.26 C ATOM 1490 OD1 ASP B 41 11.809 -16.154 -4.621 1.00 1.69 O ATOM 1491 OD2 ASP B 41 13.293 -14.928 -5.668 1.00 2.21 O ATOM 0 H ASP B 41 12.003 -13.141 -7.025 1.00 0.57 H new ATOM 0 HA ASP B 41 9.725 -14.346 -5.873 1.00 0.58 H new ATOM 0 HB2 ASP B 41 12.119 -12.958 -4.597 1.00 0.71 H new ATOM 0 HB3 ASP B 41 10.956 -13.931 -3.719 1.00 0.71 H new ATOM 1496 N ALA B 42 10.046 -11.102 -5.439 1.00 0.51 N ATOM 1497 CA ALA B 42 9.354 -9.895 -5.014 1.00 0.50 C ATOM 1498 C ALA B 42 8.154 -9.604 -5.914 1.00 0.47 C ATOM 1499 O ALA B 42 7.117 -9.124 -5.455 1.00 0.52 O ATOM 1500 CB ALA B 42 10.324 -8.727 -5.021 1.00 0.54 C ATOM 0 H ALA B 42 10.951 -10.934 -5.879 1.00 0.51 H new ATOM 0 HA ALA B 42 8.978 -10.044 -4.002 1.00 0.50 H new ATOM 0 HB1 ALA B 42 9.806 -7.822 -4.703 1.00 0.54 H new ATOM 0 HB2 ALA B 42 11.147 -8.934 -4.337 1.00 0.54 H new ATOM 0 HB3 ALA B 42 10.716 -8.585 -6.028 1.00 0.54 H new ATOM 1506 N GLN B 43 8.308 -9.913 -7.191 1.00 0.44 N ATOM 1507 CA GLN B 43 7.271 -9.691 -8.190 1.00 0.45 C ATOM 1508 C GLN B 43 6.043 -10.541 -7.888 1.00 0.45 C ATOM 1509 O GLN B 43 4.931 -10.027 -7.785 1.00 0.48 O ATOM 1510 CB GLN B 43 7.825 -10.020 -9.577 1.00 0.49 C ATOM 1511 CG GLN B 43 6.912 -9.627 -10.721 1.00 0.82 C ATOM 1512 CD GLN B 43 7.547 -9.840 -12.081 1.00 0.85 C ATOM 1513 OE1 GLN B 43 6.865 -10.164 -13.049 1.00 1.57 O ATOM 1514 NE2 GLN B 43 8.851 -9.629 -12.175 1.00 1.12 N ATOM 0 H GLN B 43 9.160 -10.327 -7.568 1.00 0.44 H new ATOM 0 HA GLN B 43 6.968 -8.644 -8.164 1.00 0.45 H new ATOM 0 HB2 GLN B 43 8.783 -9.515 -9.702 1.00 0.49 H new ATOM 0 HB3 GLN B 43 8.019 -11.091 -9.634 1.00 0.49 H new ATOM 0 HG2 GLN B 43 5.991 -10.207 -10.660 1.00 0.82 H new ATOM 0 HG3 GLN B 43 6.635 -8.578 -10.615 1.00 0.82 H new ATOM 0 HE21 GLN B 43 9.385 -9.361 -11.348 1.00 1.12 H new ATOM 0 HE22 GLN B 43 9.321 -9.735 -13.074 1.00 1.12 H new ATOM 1523 N GLU B 44 6.249 -11.841 -7.712 1.00 0.49 N ATOM 1524 CA GLU B 44 5.139 -12.742 -7.427 1.00 0.54 C ATOM 1525 C GLU B 44 4.471 -12.367 -6.104 1.00 0.51 C ATOM 1526 O GLU B 44 3.272 -12.589 -5.916 1.00 0.50 O ATOM 1527 CB GLU B 44 5.608 -14.199 -7.395 1.00 0.68 C ATOM 1528 CG GLU B 44 6.579 -14.514 -6.270 1.00 1.20 C ATOM 1529 CD GLU B 44 6.930 -15.983 -6.203 1.00 1.65 C ATOM 1530 OE1 GLU B 44 6.114 -16.771 -5.675 1.00 2.20 O ATOM 1531 OE2 GLU B 44 8.021 -16.361 -6.679 1.00 2.36 O ATOM 0 H GLU B 44 7.163 -12.291 -7.761 1.00 0.49 H new ATOM 0 HA GLU B 44 4.407 -12.640 -8.228 1.00 0.54 H new ATOM 0 HB2 GLU B 44 4.737 -14.848 -7.301 1.00 0.68 H new ATOM 0 HB3 GLU B 44 6.082 -14.438 -8.347 1.00 0.68 H new ATOM 0 HG2 GLU B 44 7.490 -13.932 -6.407 1.00 1.20 H new ATOM 0 HG3 GLU B 44 6.143 -14.204 -5.320 1.00 1.20 H new ATOM 1538 N SER B 45 5.253 -11.773 -5.206 1.00 0.54 N ATOM 1539 CA SER B 45 4.746 -11.333 -3.916 1.00 0.59 C ATOM 1540 C SER B 45 3.760 -10.176 -4.079 1.00 0.55 C ATOM 1541 O SER B 45 2.825 -10.041 -3.291 1.00 0.58 O ATOM 1542 CB SER B 45 5.903 -10.924 -3.001 1.00 0.71 C ATOM 1543 OG SER B 45 6.750 -12.027 -2.724 1.00 1.04 O ATOM 0 H SER B 45 6.245 -11.586 -5.353 1.00 0.54 H new ATOM 0 HA SER B 45 4.215 -12.167 -3.458 1.00 0.59 H new ATOM 0 HB2 SER B 45 6.480 -10.128 -3.473 1.00 0.71 H new ATOM 0 HB3 SER B 45 5.508 -10.522 -2.068 1.00 0.71 H new ATOM 0 HG SER B 45 7.252 -12.265 -3.532 1.00 1.04 H new ATOM 1549 N LEU B 46 3.957 -9.350 -5.108 1.00 0.56 N ATOM 1550 CA LEU B 46 3.025 -8.259 -5.384 1.00 0.60 C ATOM 1551 C LEU B 46 1.666 -8.830 -5.733 1.00 0.50 C ATOM 1552 O LEU B 46 0.642 -8.390 -5.217 1.00 0.48 O ATOM 1553 CB LEU B 46 3.491 -7.384 -6.551 1.00 0.74 C ATOM 1554 CG LEU B 46 4.870 -6.741 -6.414 1.00 0.75 C ATOM 1555 CD1 LEU B 46 5.092 -5.721 -7.518 1.00 1.28 C ATOM 1556 CD2 LEU B 46 5.035 -6.091 -5.052 1.00 1.14 C ATOM 0 H LEU B 46 4.743 -9.415 -5.755 1.00 0.56 H new ATOM 0 HA LEU B 46 2.975 -7.642 -4.487 1.00 0.60 H new ATOM 0 HB2 LEU B 46 3.487 -7.992 -7.456 1.00 0.74 H new ATOM 0 HB3 LEU B 46 2.758 -6.591 -6.696 1.00 0.74 H new ATOM 0 HG LEU B 46 5.620 -7.526 -6.508 1.00 0.75 H new ATOM 0 HD11 LEU B 46 6.079 -5.272 -7.406 1.00 1.28 H new ATOM 0 HD12 LEU B 46 5.026 -6.214 -8.488 1.00 1.28 H new ATOM 0 HD13 LEU B 46 4.331 -4.944 -7.454 1.00 1.28 H new ATOM 0 HD21 LEU B 46 6.025 -5.641 -4.981 1.00 1.14 H new ATOM 0 HD22 LEU B 46 4.276 -5.320 -4.923 1.00 1.14 H new ATOM 0 HD23 LEU B 46 4.923 -6.845 -4.273 1.00 1.14 H new ATOM 1568 N GLU B 47 1.678 -9.829 -6.608 1.00 0.49 N ATOM 1569 CA GLU B 47 0.458 -10.468 -7.073 1.00 0.48 C ATOM 1570 C GLU B 47 -0.331 -11.054 -5.906 1.00 0.43 C ATOM 1571 O GLU B 47 -1.547 -10.873 -5.816 1.00 0.45 O ATOM 1572 CB GLU B 47 0.800 -11.552 -8.095 1.00 0.55 C ATOM 1573 CG GLU B 47 -0.409 -12.286 -8.644 1.00 0.81 C ATOM 1574 CD GLU B 47 -0.039 -13.240 -9.758 1.00 1.06 C ATOM 1575 OE1 GLU B 47 0.682 -14.225 -9.486 1.00 1.52 O ATOM 1576 OE2 GLU B 47 -0.471 -13.013 -10.907 1.00 1.75 O ATOM 0 H GLU B 47 2.531 -10.216 -7.012 1.00 0.49 H new ATOM 0 HA GLU B 47 -0.170 -9.716 -7.552 1.00 0.48 H new ATOM 0 HB2 GLU B 47 1.343 -11.097 -8.923 1.00 0.55 H new ATOM 0 HB3 GLU B 47 1.472 -12.275 -7.632 1.00 0.55 H new ATOM 0 HG2 GLU B 47 -0.893 -12.840 -7.839 1.00 0.81 H new ATOM 0 HG3 GLU B 47 -1.135 -11.562 -9.014 1.00 0.81 H new ATOM 1583 N VAL B 48 0.367 -11.738 -5.004 1.00 0.41 N ATOM 1584 CA VAL B 48 -0.274 -12.315 -3.828 1.00 0.42 C ATOM 1585 C VAL B 48 -0.832 -11.210 -2.934 1.00 0.41 C ATOM 1586 O VAL B 48 -1.953 -11.310 -2.433 1.00 0.43 O ATOM 1587 CB VAL B 48 0.703 -13.193 -3.015 1.00 0.45 C ATOM 1588 CG1 VAL B 48 -0.004 -13.836 -1.831 1.00 0.49 C ATOM 1589 CG2 VAL B 48 1.325 -14.261 -3.898 1.00 0.48 C ATOM 0 H VAL B 48 1.371 -11.905 -5.065 1.00 0.41 H new ATOM 0 HA VAL B 48 -1.088 -12.949 -4.180 1.00 0.42 H new ATOM 0 HB VAL B 48 1.497 -12.550 -2.635 1.00 0.45 H new ATOM 0 HG11 VAL B 48 0.704 -14.449 -1.274 1.00 0.49 H new ATOM 0 HG12 VAL B 48 -0.402 -13.059 -1.179 1.00 0.49 H new ATOM 0 HG13 VAL B 48 -0.821 -14.461 -2.191 1.00 0.49 H new ATOM 0 HG21 VAL B 48 2.010 -14.869 -3.307 1.00 0.48 H new ATOM 0 HG22 VAL B 48 0.540 -14.895 -4.309 1.00 0.48 H new ATOM 0 HG23 VAL B 48 1.872 -13.786 -4.713 1.00 0.48 H new ATOM 1599 N ALA B 49 -0.052 -10.148 -2.758 1.00 0.41 N ATOM 1600 CA ALA B 49 -0.485 -9.001 -1.969 1.00 0.43 C ATOM 1601 C ALA B 49 -1.737 -8.372 -2.569 1.00 0.43 C ATOM 1602 O ALA B 49 -2.658 -8.000 -1.846 1.00 0.48 O ATOM 1603 CB ALA B 49 0.630 -7.971 -1.870 1.00 0.44 C ATOM 0 H ALA B 49 0.885 -10.058 -3.152 1.00 0.41 H new ATOM 0 HA ALA B 49 -0.726 -9.351 -0.965 1.00 0.43 H new ATOM 0 HB1 ALA B 49 0.289 -7.122 -1.278 1.00 0.44 H new ATOM 0 HB2 ALA B 49 1.500 -8.421 -1.392 1.00 0.44 H new ATOM 0 HB3 ALA B 49 0.901 -7.631 -2.870 1.00 0.44 H new ATOM 1609 N ILE B 50 -1.762 -8.265 -3.895 1.00 0.40 N ATOM 1610 CA ILE B 50 -2.931 -7.762 -4.609 1.00 0.41 C ATOM 1611 C ILE B 50 -4.172 -8.575 -4.249 1.00 0.38 C ATOM 1612 O ILE B 50 -5.213 -8.016 -3.906 1.00 0.41 O ATOM 1613 CB ILE B 50 -2.715 -7.801 -6.142 1.00 0.43 C ATOM 1614 CG1 ILE B 50 -1.651 -6.780 -6.560 1.00 0.53 C ATOM 1615 CG2 ILE B 50 -4.022 -7.545 -6.881 1.00 0.47 C ATOM 1616 CD1 ILE B 50 -1.304 -6.826 -8.035 1.00 0.62 C ATOM 0 H ILE B 50 -0.981 -8.522 -4.499 1.00 0.40 H new ATOM 0 HA ILE B 50 -3.078 -6.726 -4.305 1.00 0.41 H new ATOM 0 HB ILE B 50 -2.363 -8.797 -6.411 1.00 0.43 H new ATOM 0 HG12 ILE B 50 -2.003 -5.779 -6.310 1.00 0.53 H new ATOM 0 HG13 ILE B 50 -0.746 -6.954 -5.978 1.00 0.53 H new ATOM 0 HG21 ILE B 50 -3.845 -7.577 -7.956 1.00 0.47 H new ATOM 0 HG22 ILE B 50 -4.749 -8.310 -6.610 1.00 0.47 H new ATOM 0 HG23 ILE B 50 -4.409 -6.564 -6.607 1.00 0.47 H new ATOM 0 HD11 ILE B 50 -0.545 -6.075 -8.254 1.00 0.62 H new ATOM 0 HD12 ILE B 50 -0.920 -7.814 -8.288 1.00 0.62 H new ATOM 0 HD13 ILE B 50 -2.197 -6.622 -8.625 1.00 0.62 H new ATOM 1628 N GLN B 51 -4.039 -9.896 -4.305 1.00 0.39 N ATOM 1629 CA GLN B 51 -5.144 -10.796 -3.993 1.00 0.43 C ATOM 1630 C GLN B 51 -5.595 -10.621 -2.545 1.00 0.43 C ATOM 1631 O GLN B 51 -6.792 -10.628 -2.247 1.00 0.47 O ATOM 1632 CB GLN B 51 -4.730 -12.249 -4.230 1.00 0.51 C ATOM 1633 CG GLN B 51 -4.275 -12.540 -5.652 1.00 0.78 C ATOM 1634 CD GLN B 51 -5.346 -12.257 -6.686 1.00 1.02 C ATOM 1635 OE1 GLN B 51 -6.158 -13.125 -7.004 1.00 1.84 O ATOM 1636 NE2 GLN B 51 -5.342 -11.051 -7.231 1.00 1.35 N ATOM 0 H GLN B 51 -3.173 -10.369 -4.565 1.00 0.39 H new ATOM 0 HA GLN B 51 -5.976 -10.548 -4.651 1.00 0.43 H new ATOM 0 HB2 GLN B 51 -3.923 -12.503 -3.542 1.00 0.51 H new ATOM 0 HB3 GLN B 51 -5.571 -12.899 -3.988 1.00 0.51 H new ATOM 0 HG2 GLN B 51 -3.394 -11.939 -5.876 1.00 0.78 H new ATOM 0 HG3 GLN B 51 -3.975 -13.585 -5.725 1.00 0.78 H new ATOM 0 HE21 GLN B 51 -4.650 -10.361 -6.938 1.00 1.35 H new ATOM 0 HE22 GLN B 51 -6.031 -10.811 -7.944 1.00 1.35 H new ATOM 1645 N CYS B 52 -4.628 -10.455 -1.653 1.00 0.45 N ATOM 1646 CA CYS B 52 -4.913 -10.297 -0.235 1.00 0.52 C ATOM 1647 C CYS B 52 -5.604 -8.966 0.044 1.00 0.53 C ATOM 1648 O CYS B 52 -6.606 -8.917 0.754 1.00 0.59 O ATOM 1649 CB CYS B 52 -3.622 -10.398 0.576 1.00 0.59 C ATOM 1650 SG CYS B 52 -2.739 -11.959 0.360 1.00 0.69 S ATOM 0 H CYS B 52 -3.636 -10.426 -1.888 1.00 0.45 H new ATOM 0 HA CYS B 52 -5.588 -11.099 0.065 1.00 0.52 H new ATOM 0 HB2 CYS B 52 -2.963 -9.577 0.294 1.00 0.59 H new ATOM 0 HB3 CYS B 52 -3.858 -10.269 1.632 1.00 0.59 H new ATOM 0 HG CYS B 52 -2.290 -12.039 -0.858 1.00 0.69 H new ATOM 1656 N LEU B 53 -5.077 -7.889 -0.528 1.00 0.49 N ATOM 1657 CA LEU B 53 -5.621 -6.556 -0.290 1.00 0.53 C ATOM 1658 C LEU B 53 -6.993 -6.398 -0.936 1.00 0.50 C ATOM 1659 O LEU B 53 -7.828 -5.627 -0.454 1.00 0.57 O ATOM 1660 CB LEU B 53 -4.660 -5.481 -0.798 1.00 0.63 C ATOM 1661 CG LEU B 53 -3.293 -5.462 -0.109 1.00 0.54 C ATOM 1662 CD1 LEU B 53 -2.433 -4.343 -0.665 1.00 0.76 C ATOM 1663 CD2 LEU B 53 -3.448 -5.318 1.399 1.00 0.61 C ATOM 0 H LEU B 53 -4.276 -7.912 -1.158 1.00 0.49 H new ATOM 0 HA LEU B 53 -5.740 -6.431 0.786 1.00 0.53 H new ATOM 0 HB2 LEU B 53 -4.510 -5.625 -1.868 1.00 0.63 H new ATOM 0 HB3 LEU B 53 -5.129 -4.505 -0.670 1.00 0.63 H new ATOM 0 HG LEU B 53 -2.797 -6.412 -0.310 1.00 0.54 H new ATOM 0 HD11 LEU B 53 -1.465 -4.345 -0.164 1.00 0.76 H new ATOM 0 HD12 LEU B 53 -2.288 -4.493 -1.735 1.00 0.76 H new ATOM 0 HD13 LEU B 53 -2.927 -3.386 -0.497 1.00 0.76 H new ATOM 0 HD21 LEU B 53 -2.463 -5.307 1.867 1.00 0.61 H new ATOM 0 HD22 LEU B 53 -3.967 -4.386 1.624 1.00 0.61 H new ATOM 0 HD23 LEU B 53 -4.025 -6.158 1.787 1.00 0.61 H new ATOM 1675 N GLU B 54 -7.221 -7.134 -2.017 1.00 0.46 N ATOM 1676 CA GLU B 54 -8.532 -7.182 -2.651 1.00 0.50 C ATOM 1677 C GLU B 54 -9.573 -7.662 -1.641 1.00 0.56 C ATOM 1678 O GLU B 54 -10.609 -7.021 -1.441 1.00 0.65 O ATOM 1679 CB GLU B 54 -8.476 -8.104 -3.878 1.00 0.55 C ATOM 1680 CG GLU B 54 -9.788 -8.244 -4.634 1.00 0.73 C ATOM 1681 CD GLU B 54 -10.512 -9.537 -4.324 1.00 1.06 C ATOM 1682 OE1 GLU B 54 -10.082 -10.593 -4.833 1.00 1.62 O ATOM 1683 OE2 GLU B 54 -11.518 -9.510 -3.585 1.00 1.66 O ATOM 0 H GLU B 54 -6.512 -7.708 -2.474 1.00 0.46 H new ATOM 0 HA GLU B 54 -8.820 -6.186 -2.987 1.00 0.50 H new ATOM 0 HB2 GLU B 54 -7.717 -7.727 -4.563 1.00 0.55 H new ATOM 0 HB3 GLU B 54 -8.151 -9.094 -3.556 1.00 0.55 H new ATOM 0 HG2 GLU B 54 -10.435 -7.403 -4.387 1.00 0.73 H new ATOM 0 HG3 GLU B 54 -9.592 -8.191 -5.705 1.00 0.73 H new ATOM 1690 N THR B 55 -9.261 -8.768 -0.978 1.00 0.61 N ATOM 1691 CA THR B 55 -10.117 -9.309 0.065 1.00 0.77 C ATOM 1692 C THR B 55 -10.124 -8.392 1.288 1.00 0.83 C ATOM 1693 O THR B 55 -11.146 -8.239 1.959 1.00 0.98 O ATOM 1694 CB THR B 55 -9.636 -10.714 0.480 1.00 0.95 C ATOM 1695 OG1 THR B 55 -9.512 -11.543 -0.684 1.00 0.99 O ATOM 1696 CG2 THR B 55 -10.600 -11.359 1.465 1.00 1.15 C ATOM 0 H THR B 55 -8.414 -9.310 -1.147 1.00 0.61 H new ATOM 0 HA THR B 55 -11.130 -9.378 -0.332 1.00 0.77 H new ATOM 0 HB THR B 55 -8.667 -10.612 0.969 1.00 0.95 H new ATOM 0 HG1 THR B 55 -8.696 -11.304 -1.170 1.00 0.99 H new ATOM 0 HG21 THR B 55 -10.233 -12.348 1.738 1.00 1.15 H new ATOM 0 HG22 THR B 55 -10.675 -10.740 2.359 1.00 1.15 H new ATOM 0 HG23 THR B 55 -11.583 -11.451 1.004 1.00 1.15 H new ATOM 1704 N ALA B 56 -8.978 -7.774 1.552 1.00 0.76 N ATOM 1705 CA ALA B 56 -8.800 -6.910 2.713 1.00 0.87 C ATOM 1706 C ALA B 56 -9.793 -5.756 2.727 1.00 0.88 C ATOM 1707 O ALA B 56 -10.677 -5.694 3.578 1.00 1.14 O ATOM 1708 CB ALA B 56 -7.382 -6.365 2.750 1.00 0.89 C ATOM 0 H ALA B 56 -8.146 -7.858 0.967 1.00 0.76 H new ATOM 0 HA ALA B 56 -8.984 -7.518 3.598 1.00 0.87 H new ATOM 0 HB1 ALA B 56 -7.262 -5.721 3.622 1.00 0.89 H new ATOM 0 HB2 ALA B 56 -6.675 -7.193 2.810 1.00 0.89 H new ATOM 0 HB3 ALA B 56 -7.190 -5.789 1.845 1.00 0.89 H new ATOM 1714 N PHE B 57 -9.655 -4.852 1.773 1.00 0.76 N ATOM 1715 CA PHE B 57 -10.443 -3.636 1.765 1.00 1.05 C ATOM 1716 C PHE B 57 -11.813 -3.855 1.139 1.00 1.57 C ATOM 1717 O PHE B 57 -12.685 -2.983 1.201 1.00 2.06 O ATOM 1718 CB PHE B 57 -9.692 -2.546 1.015 1.00 1.04 C ATOM 1719 CG PHE B 57 -8.378 -2.174 1.642 1.00 0.92 C ATOM 1720 CD1 PHE B 57 -8.322 -1.257 2.679 1.00 1.49 C ATOM 1721 CD2 PHE B 57 -7.197 -2.728 1.180 1.00 1.47 C ATOM 1722 CE1 PHE B 57 -7.111 -0.901 3.241 1.00 1.50 C ATOM 1723 CE2 PHE B 57 -5.985 -2.372 1.734 1.00 1.47 C ATOM 1724 CZ PHE B 57 -5.940 -1.457 2.765 1.00 0.92 C ATOM 0 H PHE B 57 -9.003 -4.939 0.993 1.00 0.76 H new ATOM 0 HA PHE B 57 -10.601 -3.329 2.799 1.00 1.05 H new ATOM 0 HB2 PHE B 57 -9.515 -2.878 -0.008 1.00 1.04 H new ATOM 0 HB3 PHE B 57 -10.321 -1.658 0.958 1.00 1.04 H new ATOM 0 HD1 PHE B 57 -9.234 -0.816 3.052 1.00 1.49 H new ATOM 0 HD2 PHE B 57 -7.225 -3.448 0.376 1.00 1.47 H new ATOM 0 HE1 PHE B 57 -7.080 -0.188 4.052 1.00 1.50 H new ATOM 0 HE2 PHE B 57 -5.071 -2.810 1.360 1.00 1.47 H new ATOM 0 HZ PHE B 57 -4.992 -1.176 3.199 1.00 0.92 H new ATOM 1734 N GLY B 58 -11.993 -5.023 0.536 1.00 1.71 N ATOM 1735 CA GLY B 58 -13.267 -5.365 -0.061 1.00 2.29 C ATOM 1736 C GLY B 58 -13.496 -4.651 -1.373 1.00 2.05 C ATOM 1737 O GLY B 58 -14.580 -4.124 -1.622 1.00 2.60 O ATOM 0 H GLY B 58 -11.275 -5.742 0.450 1.00 1.71 H new ATOM 0 HA2 GLY B 58 -13.312 -6.442 -0.223 1.00 2.29 H new ATOM 0 HA3 GLY B 58 -14.070 -5.113 0.632 1.00 2.29 H new ATOM 1741 N VAL B 59 -12.477 -4.630 -2.218 1.00 1.35 N ATOM 1742 CA VAL B 59 -12.579 -3.972 -3.512 1.00 1.13 C ATOM 1743 C VAL B 59 -12.223 -4.902 -4.640 1.00 1.04 C ATOM 1744 O VAL B 59 -11.802 -6.035 -4.431 1.00 1.22 O ATOM 1745 CB VAL B 59 -11.649 -2.742 -3.646 1.00 0.93 C ATOM 1746 CG1 VAL B 59 -12.192 -1.569 -2.864 1.00 1.23 C ATOM 1747 CG2 VAL B 59 -10.229 -3.065 -3.186 1.00 1.00 C ATOM 0 H VAL B 59 -11.571 -5.060 -2.032 1.00 1.35 H new ATOM 0 HA VAL B 59 -13.620 -3.656 -3.573 1.00 1.13 H new ATOM 0 HB VAL B 59 -11.613 -2.474 -4.702 1.00 0.93 H new ATOM 0 HG11 VAL B 59 -11.521 -0.717 -2.974 1.00 1.23 H new ATOM 0 HG12 VAL B 59 -13.179 -1.305 -3.243 1.00 1.23 H new ATOM 0 HG13 VAL B 59 -12.268 -1.838 -1.810 1.00 1.23 H new ATOM 0 HG21 VAL B 59 -9.602 -2.180 -3.293 1.00 1.00 H new ATOM 0 HG22 VAL B 59 -10.246 -3.373 -2.141 1.00 1.00 H new ATOM 0 HG23 VAL B 59 -9.824 -3.873 -3.796 1.00 1.00 H new ATOM 1757 N THR B 60 -12.440 -4.403 -5.831 1.00 1.17 N ATOM 1758 CA THR B 60 -11.802 -4.912 -7.010 1.00 1.30 C ATOM 1759 C THR B 60 -10.508 -4.123 -7.189 1.00 1.16 C ATOM 1760 O THR B 60 -10.133 -3.375 -6.289 1.00 1.14 O ATOM 1761 CB THR B 60 -12.735 -4.736 -8.205 1.00 1.94 C ATOM 1762 OG1 THR B 60 -13.561 -3.590 -7.967 1.00 2.24 O ATOM 1763 CG2 THR B 60 -13.608 -5.964 -8.405 1.00 2.38 C ATOM 0 H THR B 60 -13.073 -3.623 -6.007 1.00 1.17 H new ATOM 0 HA THR B 60 -11.578 -5.975 -6.926 1.00 1.30 H new ATOM 0 HB THR B 60 -12.139 -4.600 -9.108 1.00 1.94 H new ATOM 0 HG1 THR B 60 -14.419 -3.705 -8.426 1.00 2.24 H new ATOM 0 HG21 THR B 60 -14.262 -5.810 -9.263 1.00 2.38 H new ATOM 0 HG22 THR B 60 -12.976 -6.835 -8.582 1.00 2.38 H new ATOM 0 HG23 THR B 60 -14.213 -6.130 -7.513 1.00 2.38 H new ATOM 1771 N VAL B 61 -9.818 -4.276 -8.306 1.00 1.40 N ATOM 1772 CA VAL B 61 -8.536 -3.592 -8.481 1.00 1.59 C ATOM 1773 C VAL B 61 -8.639 -2.078 -8.250 1.00 1.83 C ATOM 1774 O VAL B 61 -7.969 -1.531 -7.375 1.00 2.11 O ATOM 1775 CB VAL B 61 -7.945 -3.889 -9.889 1.00 1.80 C ATOM 1776 CG1 VAL B 61 -9.045 -3.982 -10.936 1.00 2.21 C ATOM 1777 CG2 VAL B 61 -6.926 -2.835 -10.300 1.00 1.95 C ATOM 0 H VAL B 61 -10.111 -4.854 -9.094 1.00 1.40 H new ATOM 0 HA VAL B 61 -7.861 -3.985 -7.720 1.00 1.59 H new ATOM 0 HB VAL B 61 -7.437 -4.852 -9.827 1.00 1.80 H new ATOM 0 HG11 VAL B 61 -8.603 -4.190 -11.910 1.00 2.21 H new ATOM 0 HG12 VAL B 61 -9.733 -4.785 -10.671 1.00 2.21 H new ATOM 0 HG13 VAL B 61 -9.588 -3.038 -10.978 1.00 2.21 H new ATOM 0 HG21 VAL B 61 -6.534 -3.074 -11.288 1.00 1.95 H new ATOM 0 HG22 VAL B 61 -7.405 -1.856 -10.327 1.00 1.95 H new ATOM 0 HG23 VAL B 61 -6.108 -2.819 -9.579 1.00 1.95 H new ATOM 1787 N GLU B 62 -9.467 -1.404 -9.013 1.00 1.89 N ATOM 1788 CA GLU B 62 -9.651 0.026 -8.850 1.00 2.15 C ATOM 1789 C GLU B 62 -11.087 0.376 -9.172 1.00 1.63 C ATOM 1790 O GLU B 62 -11.539 1.533 -9.104 1.00 1.65 O ATOM 1791 CB GLU B 62 -8.665 0.727 -9.790 1.00 2.86 C ATOM 1792 CG GLU B 62 -9.108 0.831 -11.250 1.00 3.13 C ATOM 1793 CD GLU B 62 -8.995 -0.474 -12.017 1.00 3.56 C ATOM 1794 OE1 GLU B 62 -7.923 -0.738 -12.605 1.00 4.00 O ATOM 1795 OE2 GLU B 62 -9.980 -1.233 -12.050 1.00 3.97 O ATOM 0 H GLU B 62 -10.027 -1.821 -9.756 1.00 1.89 H new ATOM 0 HA GLU B 62 -9.456 0.349 -7.827 1.00 2.15 H new ATOM 0 HB2 GLU B 62 -8.482 1.733 -9.412 1.00 2.86 H new ATOM 0 HB3 GLU B 62 -7.715 0.195 -9.754 1.00 2.86 H new ATOM 0 HG2 GLU B 62 -10.142 1.173 -11.283 1.00 3.13 H new ATOM 0 HG3 GLU B 62 -8.505 1.589 -11.750 1.00 3.13 H new ATOM 1802 N ASP B 63 -11.809 -0.696 -9.349 1.00 1.36 N ATOM 1803 CA ASP B 63 -12.554 -0.867 -10.554 1.00 1.61 C ATOM 1804 C ASP B 63 -13.252 0.388 -11.064 1.00 1.59 C ATOM 1805 O ASP B 63 -12.711 1.061 -11.938 1.00 1.93 O ATOM 1806 CB ASP B 63 -13.568 -1.985 -10.293 1.00 1.89 C ATOM 1807 CG ASP B 63 -14.221 -2.518 -11.551 1.00 2.88 C ATOM 1808 OD1 ASP B 63 -13.639 -3.421 -12.191 1.00 3.62 O ATOM 1809 OD2 ASP B 63 -15.327 -2.055 -11.898 1.00 3.35 O ATOM 0 H ASP B 63 -11.894 -1.457 -8.675 1.00 1.36 H new ATOM 0 HA ASP B 63 -11.854 -1.117 -11.351 1.00 1.61 H new ATOM 0 HB2 ASP B 63 -13.067 -2.805 -9.778 1.00 1.89 H new ATOM 0 HB3 ASP B 63 -14.342 -1.613 -9.622 1.00 1.89 H new ATOM 1814 N SER B 64 -14.419 0.725 -10.578 1.00 1.56 N ATOM 1815 CA SER B 64 -14.973 2.045 -10.788 1.00 1.82 C ATOM 1816 C SER B 64 -15.010 2.874 -9.533 1.00 1.73 C ATOM 1817 O SER B 64 -14.672 4.057 -9.512 1.00 1.91 O ATOM 1818 CB SER B 64 -16.311 1.968 -11.515 1.00 2.42 C ATOM 1819 OG SER B 64 -16.770 3.251 -11.904 1.00 2.92 O ATOM 0 H SER B 64 -15.011 0.101 -10.030 1.00 1.56 H new ATOM 0 HA SER B 64 -14.292 2.585 -11.447 1.00 1.82 H new ATOM 0 HB2 SER B 64 -16.210 1.335 -12.396 1.00 2.42 H new ATOM 0 HB3 SER B 64 -17.051 1.498 -10.867 1.00 2.42 H new ATOM 0 HG SER B 64 -17.629 3.164 -12.368 1.00 2.92 H new ATOM 1825 N ASP B 65 -15.534 2.209 -8.498 1.00 1.68 N ATOM 1826 CA ASP B 65 -16.012 2.853 -7.283 1.00 2.03 C ATOM 1827 C ASP B 65 -14.964 3.760 -6.695 1.00 1.91 C ATOM 1828 O ASP B 65 -15.282 4.745 -6.031 1.00 2.28 O ATOM 1829 CB ASP B 65 -16.425 1.793 -6.251 1.00 2.26 C ATOM 1830 CG ASP B 65 -16.902 2.395 -4.942 1.00 2.89 C ATOM 1831 OD1 ASP B 65 -18.105 2.712 -4.833 1.00 3.46 O ATOM 1832 OD2 ASP B 65 -16.081 2.546 -4.014 1.00 3.35 O ATOM 0 H ASP B 65 -15.637 1.194 -8.487 1.00 1.68 H new ATOM 0 HA ASP B 65 -16.878 3.461 -7.544 1.00 2.03 H new ATOM 0 HB2 ASP B 65 -17.218 1.175 -6.671 1.00 2.26 H new ATOM 0 HB3 ASP B 65 -15.578 1.135 -6.055 1.00 2.26 H new ATOM 1837 N LEU B 66 -13.712 3.454 -6.965 1.00 1.52 N ATOM 1838 CA LEU B 66 -12.654 4.169 -6.341 1.00 1.62 C ATOM 1839 C LEU B 66 -11.714 4.747 -7.380 1.00 1.45 C ATOM 1840 O LEU B 66 -10.613 5.187 -7.054 1.00 1.72 O ATOM 1841 CB LEU B 66 -11.936 3.243 -5.369 1.00 1.77 C ATOM 1842 CG LEU B 66 -11.576 1.845 -5.893 1.00 1.59 C ATOM 1843 CD1 LEU B 66 -10.528 1.271 -4.970 1.00 1.87 C ATOM 1844 CD2 LEU B 66 -12.774 0.896 -5.932 1.00 1.57 C ATOM 0 H LEU B 66 -13.419 2.719 -7.609 1.00 1.52 H new ATOM 0 HA LEU B 66 -13.055 5.012 -5.779 1.00 1.62 H new ATOM 0 HB2 LEU B 66 -11.018 3.733 -5.046 1.00 1.77 H new ATOM 0 HB3 LEU B 66 -12.562 3.125 -4.485 1.00 1.77 H new ATOM 0 HG LEU B 66 -11.218 1.945 -6.918 1.00 1.59 H new ATOM 0 HD11 LEU B 66 -10.247 0.275 -5.313 1.00 1.87 H new ATOM 0 HD12 LEU B 66 -9.649 1.916 -4.971 1.00 1.87 H new ATOM 0 HD13 LEU B 66 -10.930 1.207 -3.959 1.00 1.87 H new ATOM 0 HD21 LEU B 66 -12.456 -0.075 -6.311 1.00 1.57 H new ATOM 0 HD22 LEU B 66 -13.178 0.779 -4.927 1.00 1.57 H new ATOM 0 HD23 LEU B 66 -13.543 1.307 -6.586 1.00 1.57 H new ATOM 1856 N ALA B 67 -12.170 4.766 -8.631 1.00 1.30 N ATOM 1857 CA ALA B 67 -11.387 5.319 -9.719 1.00 1.26 C ATOM 1858 C ALA B 67 -11.173 6.808 -9.518 1.00 1.28 C ATOM 1859 O ALA B 67 -12.126 7.585 -9.445 1.00 1.54 O ATOM 1860 CB ALA B 67 -12.032 5.038 -11.057 1.00 1.48 C ATOM 0 H ALA B 67 -13.081 4.402 -8.910 1.00 1.30 H new ATOM 0 HA ALA B 67 -10.413 4.831 -9.716 1.00 1.26 H new ATOM 0 HB1 ALA B 67 -11.421 5.465 -11.852 1.00 1.48 H new ATOM 0 HB2 ALA B 67 -12.115 3.961 -11.202 1.00 1.48 H new ATOM 0 HB3 ALA B 67 -13.026 5.485 -11.083 1.00 1.48 H new ATOM 1866 N LEU B 68 -9.918 7.194 -9.424 1.00 1.16 N ATOM 1867 CA LEU B 68 -9.559 8.560 -9.087 1.00 1.29 C ATOM 1868 C LEU B 68 -8.849 9.231 -10.256 1.00 1.56 C ATOM 1869 O LEU B 68 -8.262 8.542 -11.095 1.00 1.55 O ATOM 1870 CB LEU B 68 -8.680 8.572 -7.827 1.00 1.25 C ATOM 1871 CG LEU B 68 -9.376 8.081 -6.549 1.00 1.19 C ATOM 1872 CD1 LEU B 68 -8.398 8.018 -5.385 1.00 1.21 C ATOM 1873 CD2 LEU B 68 -10.553 8.981 -6.202 1.00 1.18 C ATOM 0 H LEU B 68 -9.121 6.576 -9.577 1.00 1.16 H new ATOM 0 HA LEU B 68 -10.468 9.126 -8.881 1.00 1.29 H new ATOM 0 HB2 LEU B 68 -7.803 7.950 -8.007 1.00 1.25 H new ATOM 0 HB3 LEU B 68 -8.322 9.588 -7.661 1.00 1.25 H new ATOM 0 HG LEU B 68 -9.749 7.074 -6.735 1.00 1.19 H new ATOM 0 HD11 LEU B 68 -8.917 7.667 -4.493 1.00 1.21 H new ATOM 0 HD12 LEU B 68 -7.588 7.331 -5.627 1.00 1.21 H new ATOM 0 HD13 LEU B 68 -7.988 9.011 -5.200 1.00 1.21 H new ATOM 0 HD21 LEU B 68 -11.034 8.617 -5.294 1.00 1.18 H new ATOM 0 HD22 LEU B 68 -10.198 9.999 -6.042 1.00 1.18 H new ATOM 0 HD23 LEU B 68 -11.272 8.972 -7.021 1.00 1.18 H new ATOM 1885 N PRO B 69 -8.922 10.577 -10.343 1.00 1.93 N ATOM 1886 CA PRO B 69 -8.361 11.360 -11.455 1.00 2.36 C ATOM 1887 C PRO B 69 -6.970 10.902 -11.887 1.00 2.25 C ATOM 1888 O PRO B 69 -6.724 10.671 -13.073 1.00 2.62 O ATOM 1889 CB PRO B 69 -8.294 12.793 -10.895 1.00 2.75 C ATOM 1890 CG PRO B 69 -8.782 12.716 -9.482 1.00 2.57 C ATOM 1891 CD PRO B 69 -9.585 11.454 -9.375 1.00 2.06 C ATOM 0 HA PRO B 69 -8.974 11.255 -12.350 1.00 2.36 H new ATOM 0 HB2 PRO B 69 -7.275 13.178 -10.934 1.00 2.75 H new ATOM 0 HB3 PRO B 69 -8.913 13.470 -11.484 1.00 2.75 H new ATOM 0 HG2 PRO B 69 -7.946 12.704 -8.783 1.00 2.57 H new ATOM 0 HG3 PRO B 69 -9.391 13.585 -9.234 1.00 2.57 H new ATOM 0 HD2 PRO B 69 -9.559 11.040 -8.367 1.00 2.06 H new ATOM 0 HD3 PRO B 69 -10.633 11.617 -9.626 1.00 2.06 H new ATOM 1899 N GLN B 70 -6.070 10.750 -10.930 1.00 1.85 N ATOM 1900 CA GLN B 70 -4.722 10.296 -11.228 1.00 1.82 C ATOM 1901 C GLN B 70 -4.414 9.059 -10.410 1.00 1.41 C ATOM 1902 O GLN B 70 -5.240 8.617 -9.609 1.00 1.29 O ATOM 1903 CB GLN B 70 -3.698 11.393 -10.926 1.00 1.93 C ATOM 1904 CG GLN B 70 -3.412 11.590 -9.444 1.00 1.65 C ATOM 1905 CD GLN B 70 -2.486 12.760 -9.193 1.00 2.18 C ATOM 1906 OE1 GLN B 70 -2.934 13.888 -8.984 1.00 2.66 O ATOM 1907 NE2 GLN B 70 -1.187 12.506 -9.228 1.00 2.76 N ATOM 0 H GLN B 70 -6.248 10.934 -9.943 1.00 1.85 H new ATOM 0 HA GLN B 70 -4.660 10.057 -12.290 1.00 1.82 H new ATOM 0 HB2 GLN B 70 -2.765 11.153 -11.436 1.00 1.93 H new ATOM 0 HB3 GLN B 70 -4.057 12.334 -11.343 1.00 1.93 H new ATOM 0 HG2 GLN B 70 -4.350 11.750 -8.913 1.00 1.65 H new ATOM 0 HG3 GLN B 70 -2.966 10.682 -9.038 1.00 1.65 H new ATOM 0 HE21 GLN B 70 -0.857 11.557 -9.404 1.00 2.76 H new ATOM 0 HE22 GLN B 70 -0.516 13.259 -9.079 1.00 2.76 H new ATOM 1916 N THR B 71 -3.234 8.498 -10.600 1.00 1.34 N ATOM 1917 CA THR B 71 -2.845 7.351 -9.818 1.00 1.13 C ATOM 1918 C THR B 71 -2.248 7.807 -8.491 1.00 0.85 C ATOM 1919 O THR B 71 -1.538 8.814 -8.414 1.00 0.83 O ATOM 1920 CB THR B 71 -1.824 6.484 -10.586 1.00 1.22 C ATOM 1921 OG1 THR B 71 -0.699 7.280 -10.981 1.00 1.53 O ATOM 1922 CG2 THR B 71 -2.464 5.853 -11.814 1.00 1.55 C ATOM 0 H THR B 71 -2.542 8.815 -11.279 1.00 1.34 H new ATOM 0 HA THR B 71 -3.732 6.747 -9.626 1.00 1.13 H new ATOM 0 HB THR B 71 -1.487 5.688 -9.922 1.00 1.22 H new ATOM 0 HG1 THR B 71 -0.057 6.721 -11.466 1.00 1.53 H new ATOM 0 HG21 THR B 71 -1.725 5.247 -12.339 1.00 1.55 H new ATOM 0 HG22 THR B 71 -3.298 5.222 -11.506 1.00 1.55 H new ATOM 0 HG23 THR B 71 -2.828 6.637 -12.478 1.00 1.55 H new ATOM 1930 N LEU B 72 -2.530 7.035 -7.457 1.00 0.80 N ATOM 1931 CA LEU B 72 -2.042 7.317 -6.115 1.00 0.66 C ATOM 1932 C LEU B 72 -0.548 7.022 -5.967 1.00 0.66 C ATOM 1933 O LEU B 72 0.129 7.742 -5.245 1.00 0.67 O ATOM 1934 CB LEU B 72 -2.857 6.550 -5.079 1.00 0.78 C ATOM 1935 CG LEU B 72 -4.134 7.248 -4.598 1.00 0.97 C ATOM 1936 CD1 LEU B 72 -3.788 8.456 -3.746 1.00 1.47 C ATOM 1937 CD2 LEU B 72 -5.007 7.662 -5.772 1.00 1.79 C ATOM 0 H LEU B 72 -3.104 6.194 -7.522 1.00 0.80 H new ATOM 0 HA LEU B 72 -2.170 8.385 -5.940 1.00 0.66 H new ATOM 0 HB2 LEU B 72 -3.129 5.582 -5.500 1.00 0.78 H new ATOM 0 HB3 LEU B 72 -2.222 6.355 -4.215 1.00 0.78 H new ATOM 0 HG LEU B 72 -4.697 6.539 -3.991 1.00 0.97 H new ATOM 0 HD11 LEU B 72 -4.705 8.941 -3.412 1.00 1.47 H new ATOM 0 HD12 LEU B 72 -3.210 8.136 -2.879 1.00 1.47 H new ATOM 0 HD13 LEU B 72 -3.199 9.160 -4.334 1.00 1.47 H new ATOM 0 HD21 LEU B 72 -5.906 8.155 -5.401 1.00 1.79 H new ATOM 0 HD22 LEU B 72 -4.454 8.350 -6.412 1.00 1.79 H new ATOM 0 HD23 LEU B 72 -5.288 6.779 -6.346 1.00 1.79 H new ATOM 1949 N PRO B 73 0.004 5.966 -6.620 1.00 0.75 N ATOM 1950 CA PRO B 73 1.451 5.743 -6.642 1.00 0.84 C ATOM 1951 C PRO B 73 2.221 7.013 -7.001 1.00 0.80 C ATOM 1952 O PRO B 73 3.229 7.335 -6.373 1.00 0.82 O ATOM 1953 CB PRO B 73 1.662 4.671 -7.720 1.00 1.03 C ATOM 1954 CG PRO B 73 0.313 4.374 -8.298 1.00 1.06 C ATOM 1955 CD PRO B 73 -0.706 4.886 -7.320 1.00 0.84 C ATOM 0 HA PRO B 73 1.820 5.440 -5.662 1.00 0.84 H new ATOM 0 HB2 PRO B 73 2.344 5.027 -8.492 1.00 1.03 H new ATOM 0 HB3 PRO B 73 2.106 3.773 -7.291 1.00 1.03 H new ATOM 0 HG2 PRO B 73 0.194 4.857 -9.268 1.00 1.06 H new ATOM 0 HG3 PRO B 73 0.189 3.303 -8.459 1.00 1.06 H new ATOM 0 HD2 PRO B 73 -1.599 5.254 -7.826 1.00 0.84 H new ATOM 0 HD3 PRO B 73 -1.029 4.105 -6.631 1.00 0.84 H new ATOM 1963 N GLU B 74 1.724 7.741 -7.996 1.00 0.78 N ATOM 1964 CA GLU B 74 2.342 8.991 -8.419 1.00 0.78 C ATOM 1965 C GLU B 74 2.241 10.037 -7.310 1.00 0.64 C ATOM 1966 O GLU B 74 3.208 10.743 -7.011 1.00 0.64 O ATOM 1967 CB GLU B 74 1.672 9.500 -9.695 1.00 0.86 C ATOM 1968 CG GLU B 74 2.294 10.766 -10.253 1.00 1.21 C ATOM 1969 CD GLU B 74 1.660 11.190 -11.557 1.00 1.47 C ATOM 1970 OE1 GLU B 74 2.118 10.719 -12.621 1.00 2.27 O ATOM 1971 OE2 GLU B 74 0.700 11.985 -11.526 1.00 1.67 O ATOM 0 H GLU B 74 0.891 7.484 -8.526 1.00 0.78 H new ATOM 0 HA GLU B 74 3.397 8.809 -8.625 1.00 0.78 H new ATOM 0 HB2 GLU B 74 1.718 8.719 -10.454 1.00 0.86 H new ATOM 0 HB3 GLU B 74 0.617 9.684 -9.491 1.00 0.86 H new ATOM 0 HG2 GLU B 74 2.192 11.570 -9.524 1.00 1.21 H new ATOM 0 HG3 GLU B 74 3.362 10.607 -10.405 1.00 1.21 H new ATOM 1978 N ILE B 75 1.068 10.120 -6.695 1.00 0.58 N ATOM 1979 CA ILE B 75 0.854 11.019 -5.567 1.00 0.53 C ATOM 1980 C ILE B 75 1.814 10.678 -4.431 1.00 0.49 C ATOM 1981 O ILE B 75 2.321 11.562 -3.738 1.00 0.53 O ATOM 1982 CB ILE B 75 -0.604 10.940 -5.056 1.00 0.60 C ATOM 1983 CG1 ILE B 75 -1.571 11.388 -6.154 1.00 0.74 C ATOM 1984 CG2 ILE B 75 -0.787 11.787 -3.801 1.00 0.68 C ATOM 1985 CD1 ILE B 75 -3.029 11.348 -5.751 1.00 1.37 C ATOM 0 H ILE B 75 0.248 9.574 -6.959 1.00 0.58 H new ATOM 0 HA ILE B 75 1.044 12.036 -5.911 1.00 0.53 H new ATOM 0 HB ILE B 75 -0.823 9.904 -4.797 1.00 0.60 H new ATOM 0 HG12 ILE B 75 -1.316 12.404 -6.454 1.00 0.74 H new ATOM 0 HG13 ILE B 75 -1.430 10.753 -7.028 1.00 0.74 H new ATOM 0 HG21 ILE B 75 -1.820 11.715 -3.461 1.00 0.68 H new ATOM 0 HG22 ILE B 75 -0.121 11.425 -3.018 1.00 0.68 H new ATOM 0 HG23 ILE B 75 -0.551 12.827 -4.026 1.00 0.68 H new ATOM 0 HD11 ILE B 75 -3.646 11.680 -6.586 1.00 1.37 H new ATOM 0 HD12 ILE B 75 -3.304 10.329 -5.480 1.00 1.37 H new ATOM 0 HD13 ILE B 75 -3.189 12.006 -4.897 1.00 1.37 H new ATOM 1997 N PHE B 76 2.080 9.394 -4.263 1.00 0.50 N ATOM 1998 CA PHE B 76 2.958 8.931 -3.203 1.00 0.56 C ATOM 1999 C PHE B 76 4.417 9.205 -3.544 1.00 0.59 C ATOM 2000 O PHE B 76 5.258 9.283 -2.658 1.00 0.72 O ATOM 2001 CB PHE B 76 2.740 7.441 -2.926 1.00 0.65 C ATOM 2002 CG PHE B 76 1.345 7.101 -2.465 1.00 2.06 C ATOM 2003 CD1 PHE B 76 0.462 8.093 -2.055 1.00 2.34 C ATOM 2004 CD2 PHE B 76 0.917 5.786 -2.445 1.00 2.12 C ATOM 2005 CE1 PHE B 76 -0.813 7.775 -1.636 1.00 2.35 C ATOM 2006 CE2 PHE B 76 -0.357 5.464 -2.025 1.00 2.24 C ATOM 2007 CZ PHE B 76 -1.224 6.459 -1.622 1.00 2.37 C ATOM 0 H PHE B 76 1.699 8.652 -4.849 1.00 0.50 H new ATOM 0 HA PHE B 76 2.711 9.486 -2.298 1.00 0.56 H new ATOM 0 HB2 PHE B 76 2.960 6.877 -3.833 1.00 0.65 H new ATOM 0 HB3 PHE B 76 3.452 7.115 -2.168 1.00 0.65 H new ATOM 0 HD1 PHE B 76 0.778 9.126 -2.065 1.00 2.34 H new ATOM 0 HD2 PHE B 76 1.588 5.002 -2.762 1.00 2.12 H new ATOM 0 HE1 PHE B 76 -1.489 8.556 -1.319 1.00 2.35 H new ATOM 0 HE2 PHE B 76 -0.676 4.432 -2.012 1.00 2.24 H new ATOM 0 HZ PHE B 76 -2.223 6.207 -1.296 1.00 2.37 H new ATOM 2017 N GLU B 77 4.718 9.366 -4.824 1.00 0.62 N ATOM 2018 CA GLU B 77 6.059 9.766 -5.229 1.00 0.73 C ATOM 2019 C GLU B 77 6.294 11.222 -4.857 1.00 0.69 C ATOM 2020 O GLU B 77 7.431 11.683 -4.792 1.00 0.79 O ATOM 2021 CB GLU B 77 6.274 9.545 -6.726 1.00 0.89 C ATOM 2022 CG GLU B 77 6.146 8.089 -7.136 1.00 1.56 C ATOM 2023 CD GLU B 77 6.561 7.840 -8.568 1.00 1.93 C ATOM 2024 OE1 GLU B 77 5.789 8.179 -9.486 1.00 2.51 O ATOM 2025 OE2 GLU B 77 7.662 7.292 -8.783 1.00 2.40 O ATOM 0 H GLU B 77 4.062 9.228 -5.592 1.00 0.62 H new ATOM 0 HA GLU B 77 6.782 9.144 -4.701 1.00 0.73 H new ATOM 0 HB2 GLU B 77 5.549 10.138 -7.283 1.00 0.89 H new ATOM 0 HB3 GLU B 77 7.264 9.909 -7.003 1.00 0.89 H new ATOM 0 HG2 GLU B 77 6.758 7.476 -6.474 1.00 1.56 H new ATOM 0 HG3 GLU B 77 5.113 7.769 -7.002 1.00 1.56 H new ATOM 2032 N ALA B 78 5.207 11.946 -4.637 1.00 0.60 N ATOM 2033 CA ALA B 78 5.287 13.291 -4.095 1.00 0.61 C ATOM 2034 C ALA B 78 5.269 13.267 -2.562 1.00 0.60 C ATOM 2035 O ALA B 78 6.080 13.925 -1.911 1.00 0.64 O ATOM 2036 CB ALA B 78 4.150 14.145 -4.635 1.00 0.64 C ATOM 0 H ALA B 78 4.258 11.623 -4.826 1.00 0.60 H new ATOM 0 HA ALA B 78 6.232 13.733 -4.410 1.00 0.61 H new ATOM 0 HB1 ALA B 78 4.222 15.151 -4.221 1.00 0.64 H new ATOM 0 HB2 ALA B 78 4.217 14.195 -5.722 1.00 0.64 H new ATOM 0 HB3 ALA B 78 3.196 13.703 -4.350 1.00 0.64 H new ATOM 2042 N ALA B 79 4.351 12.484 -1.999 1.00 0.64 N ATOM 2043 CA ALA B 79 4.104 12.488 -0.554 1.00 0.75 C ATOM 2044 C ALA B 79 5.056 11.576 0.222 1.00 0.86 C ATOM 2045 O ALA B 79 5.720 12.020 1.156 1.00 0.99 O ATOM 2046 CB ALA B 79 2.663 12.092 -0.273 1.00 0.83 C ATOM 0 H ALA B 79 3.763 11.835 -2.522 1.00 0.64 H new ATOM 0 HA ALA B 79 4.290 13.504 -0.207 1.00 0.75 H new ATOM 0 HB1 ALA B 79 2.487 12.097 0.803 1.00 0.83 H new ATOM 0 HB2 ALA B 79 1.990 12.802 -0.754 1.00 0.83 H new ATOM 0 HB3 ALA B 79 2.477 11.092 -0.666 1.00 0.83 H new ATOM 2052 N ALA B 80 5.128 10.307 -0.167 1.00 0.90 N ATOM 2053 CA ALA B 80 5.893 9.307 0.585 1.00 1.11 C ATOM 2054 C ALA B 80 7.395 9.544 0.468 1.00 1.26 C ATOM 2055 O ALA B 80 8.190 8.965 1.209 1.00 1.55 O ATOM 2056 CB ALA B 80 5.536 7.901 0.120 1.00 1.25 C ATOM 0 H ALA B 80 4.666 9.942 -1.000 1.00 0.90 H new ATOM 0 HA ALA B 80 5.624 9.408 1.636 1.00 1.11 H new ATOM 0 HB1 ALA B 80 6.113 7.172 0.689 1.00 1.25 H new ATOM 0 HB2 ALA B 80 4.472 7.725 0.278 1.00 1.25 H new ATOM 0 HB3 ALA B 80 5.767 7.799 -0.940 1.00 1.25 H new ATOM 2062 N THR B 81 7.771 10.393 -0.471 1.00 1.23 N ATOM 2063 CA THR B 81 9.155 10.774 -0.653 1.00 1.46 C ATOM 2064 C THR B 81 9.546 11.863 0.349 1.00 1.63 C ATOM 2065 O THR B 81 10.727 12.126 0.584 1.00 1.88 O ATOM 2066 CB THR B 81 9.359 11.280 -2.087 1.00 1.59 C ATOM 2067 OG1 THR B 81 8.764 10.355 -3.002 1.00 2.33 O ATOM 2068 CG2 THR B 81 10.827 11.433 -2.417 1.00 1.64 C ATOM 0 H THR B 81 7.126 10.835 -1.126 1.00 1.23 H new ATOM 0 HA THR B 81 9.790 9.905 -0.481 1.00 1.46 H new ATOM 0 HB THR B 81 8.887 12.259 -2.173 1.00 1.59 H new ATOM 0 HG1 THR B 81 8.494 10.828 -3.816 1.00 2.33 H new ATOM 0 HG21 THR B 81 10.934 11.793 -3.440 1.00 1.64 H new ATOM 0 HG22 THR B 81 11.281 12.148 -1.731 1.00 1.64 H new ATOM 0 HG23 THR B 81 11.325 10.468 -2.318 1.00 1.64 H new ATOM 2076 N GLY B 82 8.540 12.484 0.945 1.00 1.68 N ATOM 2077 CA GLY B 82 8.773 13.554 1.886 1.00 2.13 C ATOM 2078 C GLY B 82 7.643 14.556 1.875 1.00 1.99 C ATOM 2079 O GLY B 82 7.377 15.188 0.850 1.00 2.59 O ATOM 0 H GLY B 82 7.557 12.261 0.790 1.00 1.68 H new ATOM 0 HA2 GLY B 82 8.884 13.141 2.888 1.00 2.13 H new ATOM 0 HA3 GLY B 82 9.709 14.057 1.643 1.00 2.13 H new ATOM 2083 N LYS B 83 6.961 14.686 3.000 1.00 1.88 N ATOM 2084 CA LYS B 83 5.842 15.606 3.107 1.00 2.11 C ATOM 2085 C LYS B 83 6.314 16.936 3.679 1.00 2.84 C ATOM 2086 O LYS B 83 6.531 17.013 4.906 1.00 3.19 O ATOM 2087 CB LYS B 83 4.737 15.010 3.982 1.00 2.30 C ATOM 2088 CG LYS B 83 3.478 15.860 4.032 1.00 2.77 C ATOM 2089 CD LYS B 83 2.415 15.230 4.914 1.00 3.43 C ATOM 2090 CE LYS B 83 1.143 16.064 4.935 1.00 3.92 C ATOM 2091 NZ LYS B 83 1.360 17.402 5.544 1.00 4.40 N ATOM 2092 OXT LYS B 83 6.474 17.893 2.897 1.00 3.61 O ATOM 0 H LYS B 83 7.163 14.165 3.853 1.00 1.88 H new ATOM 0 HA LYS B 83 5.434 15.776 2.111 1.00 2.11 H new ATOM 0 HB2 LYS B 83 4.482 14.019 3.606 1.00 2.30 H new ATOM 0 HB3 LYS B 83 5.118 14.879 4.995 1.00 2.30 H new ATOM 0 HG2 LYS B 83 3.723 16.853 4.409 1.00 2.77 H new ATOM 0 HG3 LYS B 83 3.085 15.990 3.024 1.00 2.77 H new ATOM 0 HD2 LYS B 83 2.188 14.227 4.552 1.00 3.43 H new ATOM 0 HD3 LYS B 83 2.799 15.124 5.929 1.00 3.43 H new ATOM 0 HE2 LYS B 83 0.773 16.186 3.917 1.00 3.92 H new ATOM 0 HE3 LYS B 83 0.372 15.533 5.493 1.00 3.92 H new ATOM 0 HZ1 LYS B 83 0.442 17.862 5.708 1.00 4.40 H new ATOM 0 HZ2 LYS B 83 1.860 17.294 6.449 1.00 4.40 H new ATOM 0 HZ3 LYS B 83 1.930 17.988 4.901 1.00 4.40 H new