USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 804 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 26 THR OG1 : rot -90:sc= -0.652 USER MOD Set 1.2: A 38 THR OG1 : rot 52:sc= 0.707 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 179:sc= 1.28 (180deg=1.25) USER MOD Single : A 10 LYS NZ :NH3+ -158:sc= -0.0519 (180deg=-0.361) USER MOD Single : A 11 TYR OH : rot -125:sc= 1.26 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0697 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 157:sc= -0.0997 (180deg=-0.548) USER MOD Single : A 20 HIS : no HE2:sc= 1.11 K(o=1.1,f=-3.3!) USER MOD Single : A 21 ASN : amide:sc= 0.813 K(o=0.81,f=-2.2!) USER MOD Single : A 22 HIS : no HD1:sc= -0.0185 X(o=-0.019,f=-0.019) USER MOD Single : A 23 SER OG : rot 180:sc= 0.144 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -12:sc= 0.958 USER MOD Single : A 31 HIS : no HD1:sc= 1.05 K(o=1.1,f=-5.2!) USER MOD Single : A 32 HIS : no HD1:sc= -0.17 X(o=-0.17,f=-0.018) USER MOD Single : A 33 LYS NZ :NH3+ -159:sc= 1.44 (180deg=1.06) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.255 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HE2:sc= -0.931 X(o=-0.93,f=-0.6) USER MOD Single : A 54 GLN : amide:sc= -0.226 K(o=-0.23,f=-1.1) USER MOD Single : A 60 THR OG1 : rot 100:sc= 2.37 USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 69 SER OG : rot 180:sc= 0.157 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0912 USER MOD Single : A 76 SER OG : rot 73:sc= 1.23 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot -41:sc= 0.00433 USER MOD Single : A 85 HIS : no HD1:sc= 0.358 K(o=0.36,f=-3.4!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -173:sc=-0.00902 (180deg=-0.0825) USER MOD Single : A 93 SER OG : rot 180:sc= 0.0385 USER MOD Single : A 94 LYS NZ :NH3+ -145:sc= 0.758! (180deg=-1.12) USER MOD Single : A 96 MET CE :methyl 168:sc= 0 (180deg=-0.132) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.0344 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.135 USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 19.670 -11.127 16.402 1.00 0.86 N ATOM 21 CA ALA A 2 18.530 -10.459 15.796 1.00 0.87 C ATOM 22 C ALA A 2 18.651 -10.448 14.275 1.00 0.72 C ATOM 23 O ALA A 2 18.463 -9.415 13.632 1.00 0.87 O ATOM 24 CB ALA A 2 18.411 -9.039 16.333 1.00 1.10 C ATOM 0 HA ALA A 2 17.627 -11.011 16.057 1.00 0.87 H new ATOM 0 HB1 ALA A 2 17.554 -8.547 15.873 1.00 1.10 H new ATOM 0 HB2 ALA A 2 18.275 -9.069 17.414 1.00 1.10 H new ATOM 0 HB3 ALA A 2 19.319 -8.483 16.097 1.00 1.10 H new ATOM 30 N ALA A 3 18.965 -11.601 13.703 1.00 0.71 N ATOM 31 CA ALA A 3 19.112 -11.711 12.260 1.00 0.72 C ATOM 32 C ALA A 3 18.072 -12.660 11.685 1.00 0.70 C ATOM 33 O ALA A 3 18.051 -13.845 12.018 1.00 1.05 O ATOM 34 CB ALA A 3 20.516 -12.173 11.903 1.00 0.96 C ATOM 0 H ALA A 3 19.122 -12.470 14.214 1.00 0.71 H new ATOM 0 HA ALA A 3 18.952 -10.726 11.822 1.00 0.72 H new ATOM 0 HB1 ALA A 3 20.609 -12.250 10.820 1.00 0.96 H new ATOM 0 HB2 ALA A 3 21.243 -11.453 12.279 1.00 0.96 H new ATOM 0 HB3 ALA A 3 20.704 -13.148 12.354 1.00 0.96 H new ATOM 40 N GLN A 4 17.199 -12.128 10.841 1.00 0.66 N ATOM 41 CA GLN A 4 16.156 -12.927 10.211 1.00 0.68 C ATOM 42 C GLN A 4 15.626 -12.231 8.962 1.00 0.66 C ATOM 43 O GLN A 4 14.839 -11.290 9.042 1.00 0.81 O ATOM 44 CB GLN A 4 15.008 -13.217 11.190 1.00 0.83 C ATOM 45 CG GLN A 4 14.601 -12.028 12.048 1.00 0.97 C ATOM 46 CD GLN A 4 13.365 -12.313 12.880 1.00 1.33 C ATOM 47 OE1 GLN A 4 13.458 -12.784 14.013 1.00 1.79 O ATOM 48 NE2 GLN A 4 12.197 -12.028 12.328 1.00 1.63 N ATOM 0 H GLN A 4 17.192 -11.143 10.576 1.00 0.66 H new ATOM 0 HA GLN A 4 16.598 -13.879 9.919 1.00 0.68 H new ATOM 0 HB2 GLN A 4 14.140 -13.556 10.624 1.00 0.83 H new ATOM 0 HB3 GLN A 4 15.302 -14.038 11.844 1.00 0.83 H new ATOM 0 HG2 GLN A 4 15.426 -11.760 12.708 1.00 0.97 H new ATOM 0 HG3 GLN A 4 14.413 -11.167 11.406 1.00 0.97 H new ATOM 0 HE21 GLN A 4 12.160 -11.638 11.386 1.00 1.63 H new ATOM 0 HE22 GLN A 4 11.334 -12.198 12.844 1.00 1.63 H new ATOM 57 N SER A 5 16.081 -12.687 7.811 1.00 0.71 N ATOM 58 CA SER A 5 15.656 -12.118 6.546 1.00 0.76 C ATOM 59 C SER A 5 14.708 -13.075 5.830 1.00 0.73 C ATOM 60 O SER A 5 15.138 -14.062 5.239 1.00 1.11 O ATOM 61 CB SER A 5 16.879 -11.826 5.674 1.00 0.98 C ATOM 62 OG SER A 5 17.899 -11.193 6.433 1.00 1.18 O ATOM 0 H SER A 5 16.748 -13.454 7.726 1.00 0.71 H new ATOM 0 HA SER A 5 15.126 -11.185 6.734 1.00 0.76 H new ATOM 0 HB2 SER A 5 17.259 -12.755 5.249 1.00 0.98 H new ATOM 0 HB3 SER A 5 16.592 -11.188 4.838 1.00 0.98 H new ATOM 0 HG SER A 5 18.673 -11.016 5.858 1.00 1.18 H new ATOM 68 N ASP A 6 13.418 -12.792 5.905 1.00 0.62 N ATOM 69 CA ASP A 6 12.415 -13.632 5.265 1.00 0.68 C ATOM 70 C ASP A 6 11.491 -12.783 4.409 1.00 0.58 C ATOM 71 O ASP A 6 11.351 -11.582 4.648 1.00 0.80 O ATOM 72 CB ASP A 6 11.606 -14.398 6.317 1.00 0.89 C ATOM 73 CG ASP A 6 10.607 -15.355 5.698 1.00 1.54 C ATOM 74 OD1 ASP A 6 10.957 -16.028 4.702 1.00 1.98 O ATOM 75 OD2 ASP A 6 9.468 -15.436 6.203 1.00 2.18 O ATOM 0 H ASP A 6 13.039 -11.987 6.403 1.00 0.62 H new ATOM 0 HA ASP A 6 12.923 -14.354 4.626 1.00 0.68 H new ATOM 0 HB2 ASP A 6 12.288 -14.955 6.960 1.00 0.89 H new ATOM 0 HB3 ASP A 6 11.078 -13.687 6.953 1.00 0.89 H new ATOM 80 N LYS A 7 10.885 -13.396 3.403 1.00 0.54 N ATOM 81 CA LYS A 7 9.979 -12.690 2.509 1.00 0.58 C ATOM 82 C LYS A 7 8.768 -13.549 2.170 1.00 0.53 C ATOM 83 O LYS A 7 8.830 -14.433 1.313 1.00 0.85 O ATOM 84 CB LYS A 7 10.701 -12.267 1.225 1.00 0.81 C ATOM 85 CG LYS A 7 11.686 -11.125 1.426 1.00 1.05 C ATOM 86 CD LYS A 7 10.971 -9.792 1.601 1.00 1.24 C ATOM 87 CE LYS A 7 11.794 -8.824 2.434 1.00 1.58 C ATOM 88 NZ LYS A 7 11.520 -8.965 3.890 1.00 1.91 N ATOM 0 H LYS A 7 11.005 -14.385 3.185 1.00 0.54 H new ATOM 0 HA LYS A 7 9.633 -11.795 3.026 1.00 0.58 H new ATOM 0 HB2 LYS A 7 11.233 -13.127 0.818 1.00 0.81 H new ATOM 0 HB3 LYS A 7 9.960 -11.970 0.483 1.00 0.81 H new ATOM 0 HG2 LYS A 7 12.303 -11.326 2.302 1.00 1.05 H new ATOM 0 HG3 LYS A 7 12.358 -11.068 0.570 1.00 1.05 H new ATOM 0 HD2 LYS A 7 10.772 -9.354 0.623 1.00 1.24 H new ATOM 0 HD3 LYS A 7 10.006 -9.956 2.080 1.00 1.24 H new ATOM 0 HE2 LYS A 7 12.854 -8.996 2.247 1.00 1.58 H new ATOM 0 HE3 LYS A 7 11.577 -7.802 2.122 1.00 1.58 H new ATOM 0 HZ1 LYS A 7 12.115 -8.298 4.421 1.00 1.91 H new ATOM 0 HZ2 LYS A 7 10.518 -8.759 4.076 1.00 1.91 H new ATOM 0 HZ3 LYS A 7 11.736 -9.937 4.191 1.00 1.91 H new ATOM 102 N ASP A 8 7.668 -13.286 2.851 1.00 0.50 N ATOM 103 CA ASP A 8 6.430 -14.015 2.621 1.00 0.54 C ATOM 104 C ASP A 8 5.325 -13.043 2.227 1.00 0.51 C ATOM 105 O ASP A 8 5.141 -12.010 2.873 1.00 0.83 O ATOM 106 CB ASP A 8 6.017 -14.802 3.869 1.00 0.75 C ATOM 107 CG ASP A 8 4.756 -15.617 3.649 1.00 1.00 C ATOM 108 OD1 ASP A 8 4.825 -16.645 2.942 1.00 1.72 O ATOM 109 OD2 ASP A 8 3.692 -15.230 4.174 1.00 1.44 O ATOM 0 H ASP A 8 7.605 -12.568 3.573 1.00 0.50 H new ATOM 0 HA ASP A 8 6.593 -14.725 1.810 1.00 0.54 H new ATOM 0 HB2 ASP A 8 6.830 -15.467 4.161 1.00 0.75 H new ATOM 0 HB3 ASP A 8 5.859 -14.110 4.696 1.00 0.75 H new ATOM 114 N VAL A 9 4.600 -13.370 1.166 1.00 0.39 N ATOM 115 CA VAL A 9 3.528 -12.516 0.678 1.00 0.35 C ATOM 116 C VAL A 9 2.164 -13.043 1.131 1.00 0.33 C ATOM 117 O VAL A 9 1.740 -14.134 0.747 1.00 0.44 O ATOM 118 CB VAL A 9 3.579 -12.386 -0.868 1.00 0.44 C ATOM 119 CG1 VAL A 9 3.692 -13.748 -1.534 1.00 0.55 C ATOM 120 CG2 VAL A 9 2.368 -11.634 -1.394 1.00 0.47 C ATOM 0 H VAL A 9 4.736 -14.224 0.625 1.00 0.39 H new ATOM 0 HA VAL A 9 3.670 -11.523 1.105 1.00 0.35 H new ATOM 0 HB VAL A 9 4.472 -11.813 -1.118 1.00 0.44 H new ATOM 0 HG11 VAL A 9 3.725 -13.622 -2.616 1.00 0.55 H new ATOM 0 HG12 VAL A 9 4.603 -14.243 -1.198 1.00 0.55 H new ATOM 0 HG13 VAL A 9 2.828 -14.357 -1.266 1.00 0.55 H new ATOM 0 HG21 VAL A 9 2.430 -11.558 -2.480 1.00 0.47 H new ATOM 0 HG22 VAL A 9 1.459 -12.170 -1.119 1.00 0.47 H new ATOM 0 HG23 VAL A 9 2.344 -10.634 -0.961 1.00 0.47 H new ATOM 130 N LYS A 10 1.500 -12.274 1.983 1.00 0.30 N ATOM 131 CA LYS A 10 0.188 -12.646 2.491 1.00 0.34 C ATOM 132 C LYS A 10 -0.895 -11.877 1.747 1.00 0.34 C ATOM 133 O LYS A 10 -0.885 -10.650 1.705 1.00 0.48 O ATOM 134 CB LYS A 10 0.105 -12.383 3.998 1.00 0.42 C ATOM 135 CG LYS A 10 -1.226 -12.783 4.613 1.00 0.93 C ATOM 136 CD LYS A 10 -1.130 -12.887 6.126 1.00 0.98 C ATOM 137 CE LYS A 10 -0.597 -14.243 6.558 1.00 1.27 C ATOM 138 NZ LYS A 10 -1.556 -15.339 6.262 1.00 1.97 N ATOM 0 H LYS A 10 1.851 -11.385 2.338 1.00 0.30 H new ATOM 0 HA LYS A 10 0.033 -13.712 2.324 1.00 0.34 H new ATOM 0 HB2 LYS A 10 0.905 -12.928 4.498 1.00 0.42 H new ATOM 0 HB3 LYS A 10 0.277 -11.323 4.183 1.00 0.42 H new ATOM 0 HG2 LYS A 10 -1.987 -12.050 4.345 1.00 0.93 H new ATOM 0 HG3 LYS A 10 -1.546 -13.740 4.201 1.00 0.93 H new ATOM 0 HD2 LYS A 10 -0.477 -12.101 6.505 1.00 0.98 H new ATOM 0 HD3 LYS A 10 -2.114 -12.724 6.566 1.00 0.98 H new ATOM 0 HE2 LYS A 10 0.347 -14.440 6.050 1.00 1.27 H new ATOM 0 HE3 LYS A 10 -0.386 -14.225 7.627 1.00 1.27 H new ATOM 0 HZ1 LYS A 10 -1.352 -16.154 6.876 1.00 1.97 H new ATOM 0 HZ2 LYS A 10 -2.526 -15.008 6.437 1.00 1.97 H new ATOM 0 HZ3 LYS A 10 -1.461 -15.623 5.266 1.00 1.97 H new ATOM 152 N TYR A 11 -1.824 -12.599 1.150 1.00 0.34 N ATOM 153 CA TYR A 11 -2.892 -11.971 0.390 1.00 0.35 C ATOM 154 C TYR A 11 -4.036 -11.514 1.290 1.00 0.33 C ATOM 155 O TYR A 11 -4.922 -12.295 1.638 1.00 0.39 O ATOM 156 CB TYR A 11 -3.398 -12.928 -0.691 1.00 0.43 C ATOM 157 CG TYR A 11 -2.494 -12.976 -1.901 1.00 0.50 C ATOM 158 CD1 TYR A 11 -1.244 -13.579 -1.832 1.00 0.85 C ATOM 159 CD2 TYR A 11 -2.883 -12.401 -3.103 1.00 0.81 C ATOM 160 CE1 TYR A 11 -0.407 -13.611 -2.928 1.00 0.96 C ATOM 161 CE2 TYR A 11 -2.048 -12.426 -4.204 1.00 0.95 C ATOM 162 CZ TYR A 11 -0.810 -13.032 -4.110 1.00 0.83 C ATOM 163 OH TYR A 11 0.027 -13.057 -5.202 1.00 1.03 O ATOM 0 H TYR A 11 -1.862 -13.618 1.175 1.00 0.34 H new ATOM 0 HA TYR A 11 -2.485 -11.080 -0.088 1.00 0.35 H new ATOM 0 HB2 TYR A 11 -3.487 -13.929 -0.270 1.00 0.43 H new ATOM 0 HB3 TYR A 11 -4.397 -12.622 -1.002 1.00 0.43 H new ATOM 0 HD1 TYR A 11 -0.922 -14.030 -0.905 1.00 0.85 H new ATOM 0 HD2 TYR A 11 -3.851 -11.928 -3.179 1.00 0.81 H new ATOM 0 HE1 TYR A 11 0.560 -14.088 -2.859 1.00 0.96 H new ATOM 0 HE2 TYR A 11 -2.362 -11.974 -5.133 1.00 0.95 H new ATOM 0 HH TYR A 11 0.163 -12.144 -5.531 1.00 1.03 H new ATOM 173 N TYR A 12 -4.007 -10.243 1.664 1.00 0.37 N ATOM 174 CA TYR A 12 -5.043 -9.666 2.512 1.00 0.41 C ATOM 175 C TYR A 12 -6.214 -9.177 1.658 1.00 0.42 C ATOM 176 O TYR A 12 -6.070 -8.975 0.450 1.00 0.45 O ATOM 177 CB TYR A 12 -4.498 -8.481 3.315 1.00 0.45 C ATOM 178 CG TYR A 12 -3.301 -8.782 4.190 1.00 0.51 C ATOM 179 CD1 TYR A 12 -3.466 -9.292 5.471 1.00 0.77 C ATOM 180 CD2 TYR A 12 -2.008 -8.524 3.747 1.00 0.70 C ATOM 181 CE1 TYR A 12 -2.376 -9.543 6.284 1.00 0.91 C ATOM 182 CE2 TYR A 12 -0.915 -8.769 4.555 1.00 0.82 C ATOM 183 CZ TYR A 12 -1.104 -9.277 5.821 1.00 0.82 C ATOM 184 OH TYR A 12 -0.018 -9.520 6.632 1.00 1.02 O ATOM 0 H TYR A 12 -3.274 -9.588 1.393 1.00 0.37 H new ATOM 0 HA TYR A 12 -5.378 -10.444 3.198 1.00 0.41 H new ATOM 0 HB2 TYR A 12 -4.227 -7.687 2.619 1.00 0.45 H new ATOM 0 HB3 TYR A 12 -5.298 -8.093 3.945 1.00 0.45 H new ATOM 0 HD1 TYR A 12 -4.461 -9.496 5.838 1.00 0.77 H new ATOM 0 HD2 TYR A 12 -1.856 -8.125 2.755 1.00 0.70 H new ATOM 0 HE1 TYR A 12 -2.520 -9.945 7.276 1.00 0.91 H new ATOM 0 HE2 TYR A 12 0.083 -8.563 4.196 1.00 0.82 H new ATOM 0 HH TYR A 12 0.805 -9.281 6.157 1.00 1.02 H new ATOM 194 N THR A 13 -7.366 -8.990 2.282 1.00 0.47 N ATOM 195 CA THR A 13 -8.542 -8.503 1.580 1.00 0.51 C ATOM 196 C THR A 13 -8.508 -6.982 1.497 1.00 0.47 C ATOM 197 O THR A 13 -7.990 -6.320 2.398 1.00 0.46 O ATOM 198 CB THR A 13 -9.832 -8.957 2.284 1.00 0.62 C ATOM 199 OG1 THR A 13 -9.512 -9.879 3.334 1.00 0.77 O ATOM 200 CG2 THR A 13 -10.780 -9.618 1.297 1.00 0.86 C ATOM 0 H THR A 13 -7.512 -9.169 3.276 1.00 0.47 H new ATOM 0 HA THR A 13 -8.534 -8.921 0.573 1.00 0.51 H new ATOM 0 HB THR A 13 -10.323 -8.079 2.704 1.00 0.62 H new ATOM 0 HG1 THR A 13 -10.336 -10.164 3.781 1.00 0.77 H new ATOM 0 HG21 THR A 13 -11.686 -9.931 1.816 1.00 0.86 H new ATOM 0 HG22 THR A 13 -11.039 -8.909 0.511 1.00 0.86 H new ATOM 0 HG23 THR A 13 -10.296 -10.489 0.855 1.00 0.86 H new ATOM 208 N LEU A 14 -9.058 -6.431 0.423 1.00 0.50 N ATOM 209 CA LEU A 14 -9.073 -4.987 0.222 1.00 0.51 C ATOM 210 C LEU A 14 -9.825 -4.289 1.345 1.00 0.48 C ATOM 211 O LEU A 14 -9.371 -3.280 1.885 1.00 0.51 O ATOM 212 CB LEU A 14 -9.713 -4.640 -1.124 1.00 0.58 C ATOM 213 CG LEU A 14 -8.778 -4.724 -2.334 1.00 0.73 C ATOM 214 CD1 LEU A 14 -8.410 -6.167 -2.631 1.00 1.00 C ATOM 215 CD2 LEU A 14 -9.422 -4.074 -3.549 1.00 0.95 C ATOM 0 H LEU A 14 -9.501 -6.964 -0.325 1.00 0.50 H new ATOM 0 HA LEU A 14 -8.040 -4.638 0.226 1.00 0.51 H new ATOM 0 HB2 LEU A 14 -10.556 -5.310 -1.290 1.00 0.58 H new ATOM 0 HB3 LEU A 14 -10.116 -3.629 -1.066 1.00 0.58 H new ATOM 0 HG LEU A 14 -7.862 -4.182 -2.098 1.00 0.73 H new ATOM 0 HD11 LEU A 14 -7.745 -6.203 -3.494 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -7.906 -6.599 -1.767 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -9.314 -6.736 -2.846 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -8.744 -4.142 -4.400 1.00 0.95 H new ATOM 0 HD22 LEU A 14 -10.354 -4.587 -3.785 1.00 0.95 H new ATOM 0 HD23 LEU A 14 -9.630 -3.026 -3.334 1.00 0.95 H new ATOM 227 N GLU A 15 -10.964 -4.853 1.706 1.00 0.50 N ATOM 228 CA GLU A 15 -11.804 -4.310 2.762 1.00 0.53 C ATOM 229 C GLU A 15 -11.114 -4.389 4.128 1.00 0.51 C ATOM 230 O GLU A 15 -11.495 -3.685 5.062 1.00 0.61 O ATOM 231 CB GLU A 15 -13.153 -5.049 2.799 1.00 0.61 C ATOM 232 CG GLU A 15 -13.041 -6.555 2.586 1.00 0.67 C ATOM 233 CD GLU A 15 -13.189 -6.966 1.130 1.00 0.76 C ATOM 234 OE1 GLU A 15 -12.319 -6.605 0.309 1.00 0.83 O ATOM 235 OE2 GLU A 15 -14.168 -7.663 0.798 1.00 1.05 O ATOM 0 H GLU A 15 -11.334 -5.701 1.276 1.00 0.50 H new ATOM 0 HA GLU A 15 -11.980 -3.257 2.542 1.00 0.53 H new ATOM 0 HB2 GLU A 15 -13.631 -4.863 3.761 1.00 0.61 H new ATOM 0 HB3 GLU A 15 -13.806 -4.631 2.032 1.00 0.61 H new ATOM 0 HG2 GLU A 15 -12.075 -6.897 2.957 1.00 0.67 H new ATOM 0 HG3 GLU A 15 -13.806 -7.057 3.178 1.00 0.67 H new ATOM 242 N GLU A 16 -10.085 -5.221 4.235 1.00 0.46 N ATOM 243 CA GLU A 16 -9.370 -5.380 5.497 1.00 0.50 C ATOM 244 C GLU A 16 -8.140 -4.468 5.562 1.00 0.46 C ATOM 245 O GLU A 16 -7.823 -3.915 6.618 1.00 0.51 O ATOM 246 CB GLU A 16 -8.952 -6.838 5.694 1.00 0.58 C ATOM 247 CG GLU A 16 -8.438 -7.134 7.093 1.00 1.05 C ATOM 248 CD GLU A 16 -8.075 -8.589 7.286 1.00 1.60 C ATOM 249 OE1 GLU A 16 -6.923 -8.965 6.983 1.00 2.19 O ATOM 250 OE2 GLU A 16 -8.935 -9.364 7.756 1.00 2.32 O ATOM 0 H GLU A 16 -9.728 -5.793 3.469 1.00 0.46 H new ATOM 0 HA GLU A 16 -10.048 -5.091 6.300 1.00 0.50 H new ATOM 0 HB2 GLU A 16 -9.804 -7.484 5.484 1.00 0.58 H new ATOM 0 HB3 GLU A 16 -8.177 -7.087 4.970 1.00 0.58 H new ATOM 0 HG2 GLU A 16 -7.563 -6.516 7.292 1.00 1.05 H new ATOM 0 HG3 GLU A 16 -9.199 -6.854 7.822 1.00 1.05 H new ATOM 257 N ILE A 17 -7.447 -4.314 4.440 1.00 0.42 N ATOM 258 CA ILE A 17 -6.258 -3.468 4.396 1.00 0.44 C ATOM 259 C ILE A 17 -6.632 -1.990 4.497 1.00 0.43 C ATOM 260 O ILE A 17 -5.940 -1.205 5.152 1.00 0.48 O ATOM 261 CB ILE A 17 -5.414 -3.707 3.123 1.00 0.50 C ATOM 262 CG1 ILE A 17 -6.251 -3.496 1.857 1.00 0.52 C ATOM 263 CG2 ILE A 17 -4.810 -5.106 3.146 1.00 0.58 C ATOM 264 CD1 ILE A 17 -5.505 -3.803 0.576 1.00 0.98 C ATOM 0 H ILE A 17 -7.685 -4.760 3.554 1.00 0.42 H new ATOM 0 HA ILE A 17 -5.650 -3.744 5.257 1.00 0.44 H new ATOM 0 HB ILE A 17 -4.604 -2.978 3.109 1.00 0.50 H new ATOM 0 HG12 ILE A 17 -7.139 -4.126 1.910 1.00 0.52 H new ATOM 0 HG13 ILE A 17 -6.595 -2.462 1.828 1.00 0.52 H new ATOM 0 HG21 ILE A 17 -4.218 -5.262 2.244 1.00 0.58 H new ATOM 0 HG22 ILE A 17 -4.171 -5.212 4.022 1.00 0.58 H new ATOM 0 HG23 ILE A 17 -5.609 -5.847 3.188 1.00 0.58 H new ATOM 0 HD11 ILE A 17 -6.161 -3.631 -0.277 1.00 0.98 H new ATOM 0 HD12 ILE A 17 -4.632 -3.155 0.499 1.00 0.98 H new ATOM 0 HD13 ILE A 17 -5.184 -4.845 0.583 1.00 0.98 H new ATOM 276 N LYS A 18 -7.752 -1.623 3.882 1.00 0.42 N ATOM 277 CA LYS A 18 -8.230 -0.247 3.910 1.00 0.48 C ATOM 278 C LYS A 18 -8.784 0.097 5.289 1.00 0.50 C ATOM 279 O LYS A 18 -9.132 1.243 5.563 1.00 0.63 O ATOM 280 CB LYS A 18 -9.313 -0.036 2.845 1.00 0.56 C ATOM 281 CG LYS A 18 -10.643 -0.700 3.183 1.00 0.53 C ATOM 282 CD LYS A 18 -11.773 0.313 3.260 1.00 0.87 C ATOM 283 CE LYS A 18 -12.270 0.702 1.878 1.00 1.05 C ATOM 284 NZ LYS A 18 -13.308 1.765 1.938 1.00 1.48 N ATOM 0 H LYS A 18 -8.347 -2.263 3.356 1.00 0.42 H new ATOM 0 HA LYS A 18 -7.389 0.412 3.694 1.00 0.48 H new ATOM 0 HB2 LYS A 18 -9.475 1.034 2.711 1.00 0.56 H new ATOM 0 HB3 LYS A 18 -8.954 -0.426 1.892 1.00 0.56 H new ATOM 0 HG2 LYS A 18 -10.878 -1.450 2.428 1.00 0.53 H new ATOM 0 HG3 LYS A 18 -10.557 -1.223 4.136 1.00 0.53 H new ATOM 0 HD2 LYS A 18 -12.597 -0.103 3.840 1.00 0.87 H new ATOM 0 HD3 LYS A 18 -11.430 1.203 3.788 1.00 0.87 H new ATOM 0 HE2 LYS A 18 -11.431 1.049 1.275 1.00 1.05 H new ATOM 0 HE3 LYS A 18 -12.679 -0.177 1.379 1.00 1.05 H new ATOM 0 HZ1 LYS A 18 -13.620 2.001 0.974 1.00 1.48 H new ATOM 0 HZ2 LYS A 18 -14.121 1.426 2.491 1.00 1.48 H new ATOM 0 HZ3 LYS A 18 -12.911 2.613 2.390 1.00 1.48 H new ATOM 298 N LYS A 19 -8.867 -0.912 6.145 1.00 0.47 N ATOM 299 CA LYS A 19 -9.376 -0.733 7.492 1.00 0.53 C ATOM 300 C LYS A 19 -8.247 -0.825 8.511 1.00 0.54 C ATOM 301 O LYS A 19 -8.489 -0.850 9.717 1.00 0.67 O ATOM 302 CB LYS A 19 -10.428 -1.801 7.794 1.00 0.60 C ATOM 303 CG LYS A 19 -11.703 -1.246 8.405 1.00 0.84 C ATOM 304 CD LYS A 19 -12.625 -0.650 7.349 1.00 1.09 C ATOM 305 CE LYS A 19 -13.408 -1.731 6.621 1.00 1.31 C ATOM 306 NZ LYS A 19 -14.323 -2.468 7.531 1.00 1.68 N ATOM 0 H LYS A 19 -8.586 -1.868 5.926 1.00 0.47 H new ATOM 0 HA LYS A 19 -9.829 0.256 7.562 1.00 0.53 H new ATOM 0 HB2 LYS A 19 -10.676 -2.325 6.871 1.00 0.60 H new ATOM 0 HB3 LYS A 19 -10.000 -2.538 8.474 1.00 0.60 H new ATOM 0 HG2 LYS A 19 -12.226 -2.040 8.938 1.00 0.84 H new ATOM 0 HG3 LYS A 19 -11.451 -0.482 9.140 1.00 0.84 H new ATOM 0 HD2 LYS A 19 -13.317 0.048 7.820 1.00 1.09 H new ATOM 0 HD3 LYS A 19 -12.037 -0.079 6.631 1.00 1.09 H new ATOM 0 HE2 LYS A 19 -13.986 -1.279 5.815 1.00 1.31 H new ATOM 0 HE3 LYS A 19 -12.713 -2.433 6.160 1.00 1.31 H new ATOM 0 HZ1 LYS A 19 -15.091 -2.899 6.977 1.00 1.68 H new ATOM 0 HZ2 LYS A 19 -13.794 -3.213 8.027 1.00 1.68 H new ATOM 0 HZ3 LYS A 19 -14.726 -1.808 8.227 1.00 1.68 H new ATOM 320 N HIS A 20 -7.014 -0.875 8.029 1.00 0.55 N ATOM 321 CA HIS A 20 -5.864 -0.979 8.920 1.00 0.59 C ATOM 322 C HIS A 20 -4.950 0.236 8.803 1.00 0.58 C ATOM 323 O HIS A 20 -3.897 0.286 9.434 1.00 0.66 O ATOM 324 CB HIS A 20 -5.071 -2.249 8.623 1.00 0.68 C ATOM 325 CG HIS A 20 -5.488 -3.430 9.443 1.00 0.74 C ATOM 326 ND1 HIS A 20 -6.400 -4.367 9.008 1.00 0.90 N ATOM 327 CD2 HIS A 20 -5.099 -3.829 10.675 1.00 0.98 C ATOM 328 CE1 HIS A 20 -6.551 -5.292 9.939 1.00 1.07 C ATOM 329 NE2 HIS A 20 -5.772 -4.989 10.960 1.00 1.13 N ATOM 0 H HIS A 20 -6.783 -0.846 7.036 1.00 0.55 H new ATOM 0 HA HIS A 20 -6.246 -1.021 9.940 1.00 0.59 H new ATOM 0 HB2 HIS A 20 -5.181 -2.495 7.567 1.00 0.68 H new ATOM 0 HB3 HIS A 20 -4.013 -2.054 8.797 1.00 0.68 H new ATOM 0 HD1 HIS A 20 -6.882 -4.349 8.109 1.00 0.90 H new ATOM 0 HD2 HIS A 20 -4.389 -3.327 11.316 1.00 0.98 H new ATOM 0 HE1 HIS A 20 -7.202 -6.151 9.875 1.00 1.07 H new ATOM 338 N ASN A 21 -5.358 1.215 8.010 1.00 0.58 N ATOM 339 CA ASN A 21 -4.564 2.427 7.823 1.00 0.61 C ATOM 340 C ASN A 21 -4.528 3.261 9.101 1.00 0.60 C ATOM 341 O ASN A 21 -5.488 3.958 9.429 1.00 0.75 O ATOM 342 CB ASN A 21 -5.097 3.276 6.655 1.00 0.72 C ATOM 343 CG ASN A 21 -6.605 3.190 6.465 1.00 0.74 C ATOM 344 OD1 ASN A 21 -7.357 2.922 7.402 1.00 0.96 O ATOM 345 ND2 ASN A 21 -7.058 3.425 5.243 1.00 0.88 N ATOM 0 H ASN A 21 -6.232 1.197 7.485 1.00 0.58 H new ATOM 0 HA ASN A 21 -3.549 2.112 7.581 1.00 0.61 H new ATOM 0 HB2 ASN A 21 -4.821 4.317 6.820 1.00 0.72 H new ATOM 0 HB3 ASN A 21 -4.606 2.958 5.735 1.00 0.72 H new ATOM 0 HD21 ASN A 21 -8.060 3.387 5.054 1.00 0.88 H new ATOM 0 HD22 ASN A 21 -6.405 3.644 4.490 1.00 0.88 H new ATOM 352 N HIS A 22 -3.417 3.166 9.826 1.00 0.64 N ATOM 353 CA HIS A 22 -3.239 3.895 11.074 1.00 0.76 C ATOM 354 C HIS A 22 -1.811 4.425 11.165 1.00 0.88 C ATOM 355 O HIS A 22 -0.980 4.121 10.315 1.00 1.61 O ATOM 356 CB HIS A 22 -3.543 2.991 12.278 1.00 0.83 C ATOM 357 CG HIS A 22 -4.968 2.529 12.350 1.00 0.87 C ATOM 358 ND1 HIS A 22 -6.032 3.390 12.476 1.00 1.32 N ATOM 359 CD2 HIS A 22 -5.496 1.286 12.310 1.00 1.17 C ATOM 360 CE1 HIS A 22 -7.153 2.697 12.512 1.00 1.29 C ATOM 361 NE2 HIS A 22 -6.857 1.415 12.413 1.00 1.09 N ATOM 0 H HIS A 22 -2.620 2.585 9.565 1.00 0.64 H new ATOM 0 HA HIS A 22 -3.935 4.734 11.089 1.00 0.76 H new ATOM 0 HB2 HIS A 22 -2.891 2.119 12.238 1.00 0.83 H new ATOM 0 HB3 HIS A 22 -3.300 3.529 13.194 1.00 0.83 H new ATOM 0 HD2 HIS A 22 -4.947 0.361 12.214 1.00 1.17 H new ATOM 0 HE1 HIS A 22 -8.147 3.109 12.607 1.00 1.29 H new ATOM 0 HE2 HIS A 22 -7.529 0.648 12.413 1.00 1.09 H new ATOM 370 N SER A 23 -1.524 5.198 12.203 1.00 0.60 N ATOM 371 CA SER A 23 -0.192 5.766 12.399 1.00 0.62 C ATOM 372 C SER A 23 0.852 4.683 12.685 1.00 0.52 C ATOM 373 O SER A 23 2.055 4.922 12.583 1.00 0.62 O ATOM 374 CB SER A 23 -0.235 6.765 13.554 1.00 0.84 C ATOM 375 OG SER A 23 -1.578 7.082 13.896 1.00 1.32 O ATOM 0 H SER A 23 -2.197 5.449 12.927 1.00 0.60 H new ATOM 0 HA SER A 23 0.102 6.269 11.478 1.00 0.62 H new ATOM 0 HB2 SER A 23 0.277 6.348 14.421 1.00 0.84 H new ATOM 0 HB3 SER A 23 0.298 7.674 13.275 1.00 0.84 H new ATOM 0 HG SER A 23 -1.584 7.722 14.639 1.00 1.32 H new ATOM 381 N LYS A 24 0.385 3.492 13.036 1.00 0.51 N ATOM 382 CA LYS A 24 1.275 2.379 13.338 1.00 0.51 C ATOM 383 C LYS A 24 1.170 1.290 12.274 1.00 0.44 C ATOM 384 O LYS A 24 1.696 0.192 12.443 1.00 0.45 O ATOM 385 CB LYS A 24 0.963 1.810 14.726 1.00 0.71 C ATOM 386 CG LYS A 24 -0.506 1.472 14.940 1.00 0.97 C ATOM 387 CD LYS A 24 -0.819 1.282 16.415 1.00 1.41 C ATOM 388 CE LYS A 24 -2.295 1.006 16.648 1.00 1.88 C ATOM 389 NZ LYS A 24 -2.669 1.167 18.079 1.00 2.36 N ATOM 0 H LYS A 24 -0.607 3.272 13.119 1.00 0.51 H new ATOM 0 HA LYS A 24 2.299 2.751 13.336 1.00 0.51 H new ATOM 0 HB2 LYS A 24 1.559 0.910 14.881 1.00 0.71 H new ATOM 0 HB3 LYS A 24 1.273 2.532 15.482 1.00 0.71 H new ATOM 0 HG2 LYS A 24 -1.128 2.270 14.534 1.00 0.97 H new ATOM 0 HG3 LYS A 24 -0.756 0.563 14.393 1.00 0.97 H new ATOM 0 HD2 LYS A 24 -0.228 0.455 16.808 1.00 1.41 H new ATOM 0 HD3 LYS A 24 -0.525 2.175 16.967 1.00 1.41 H new ATOM 0 HE2 LYS A 24 -2.892 1.684 16.038 1.00 1.88 H new ATOM 0 HE3 LYS A 24 -2.531 -0.007 16.323 1.00 1.88 H new ATOM 0 HZ1 LYS A 24 -3.683 0.970 18.197 1.00 2.36 H new ATOM 0 HZ2 LYS A 24 -2.118 0.503 18.659 1.00 2.36 H new ATOM 0 HZ3 LYS A 24 -2.468 2.141 18.383 1.00 2.36 H new ATOM 403 N SER A 25 0.487 1.608 11.178 1.00 0.43 N ATOM 404 CA SER A 25 0.304 0.675 10.069 1.00 0.42 C ATOM 405 C SER A 25 -0.112 1.441 8.813 1.00 0.42 C ATOM 406 O SER A 25 -1.288 1.752 8.626 1.00 0.50 O ATOM 407 CB SER A 25 -0.759 -0.384 10.405 1.00 0.48 C ATOM 408 OG SER A 25 -0.374 -1.177 11.519 1.00 0.83 O ATOM 0 H SER A 25 0.046 2.516 11.033 1.00 0.43 H new ATOM 0 HA SER A 25 1.251 0.165 9.893 1.00 0.42 H new ATOM 0 HB2 SER A 25 -1.708 0.108 10.618 1.00 0.48 H new ATOM 0 HB3 SER A 25 -0.920 -1.026 9.539 1.00 0.48 H new ATOM 0 HG SER A 25 0.572 -1.020 11.721 1.00 0.83 H new ATOM 414 N THR A 26 0.849 1.759 7.961 1.00 0.42 N ATOM 415 CA THR A 26 0.554 2.494 6.742 1.00 0.43 C ATOM 416 C THR A 26 0.686 1.586 5.527 1.00 0.36 C ATOM 417 O THR A 26 1.744 1.512 4.898 1.00 0.41 O ATOM 418 CB THR A 26 1.469 3.722 6.580 1.00 0.51 C ATOM 419 OG1 THR A 26 1.710 4.320 7.862 1.00 0.64 O ATOM 420 CG2 THR A 26 0.831 4.749 5.650 1.00 0.56 C ATOM 0 H THR A 26 1.833 1.522 8.089 1.00 0.42 H new ATOM 0 HA THR A 26 -0.474 2.848 6.817 1.00 0.43 H new ATOM 0 HB THR A 26 2.413 3.395 6.145 1.00 0.51 H new ATOM 0 HG1 THR A 26 1.024 4.996 8.042 1.00 0.64 H new ATOM 0 HG21 THR A 26 1.493 5.609 5.549 1.00 0.56 H new ATOM 0 HG22 THR A 26 0.667 4.300 4.670 1.00 0.56 H new ATOM 0 HG23 THR A 26 -0.123 5.073 6.065 1.00 0.56 H new ATOM 428 N TRP A 27 -0.395 0.885 5.219 1.00 0.35 N ATOM 429 CA TRP A 27 -0.418 -0.035 4.095 1.00 0.33 C ATOM 430 C TRP A 27 -0.814 0.695 2.818 1.00 0.32 C ATOM 431 O TRP A 27 -1.959 1.115 2.657 1.00 0.36 O ATOM 432 CB TRP A 27 -1.386 -1.192 4.375 1.00 0.38 C ATOM 433 CG TRP A 27 -1.009 -2.001 5.583 1.00 0.40 C ATOM 434 CD1 TRP A 27 0.094 -1.830 6.367 1.00 0.43 C ATOM 435 CD2 TRP A 27 -1.731 -3.104 6.145 1.00 0.48 C ATOM 436 NE1 TRP A 27 0.103 -2.746 7.383 1.00 0.48 N ATOM 437 CE2 TRP A 27 -1.004 -3.544 7.270 1.00 0.52 C ATOM 438 CE3 TRP A 27 -2.914 -3.762 5.810 1.00 0.56 C ATOM 439 CZ2 TRP A 27 -1.430 -4.608 8.058 1.00 0.63 C ATOM 440 CZ3 TRP A 27 -3.334 -4.821 6.593 1.00 0.68 C ATOM 441 CH2 TRP A 27 -2.594 -5.234 7.707 1.00 0.71 C ATOM 0 H TRP A 27 -1.272 0.938 5.736 1.00 0.35 H new ATOM 0 HA TRP A 27 0.583 -0.445 3.960 1.00 0.33 H new ATOM 0 HB2 TRP A 27 -2.390 -0.791 4.513 1.00 0.38 H new ATOM 0 HB3 TRP A 27 -1.421 -1.847 3.504 1.00 0.38 H new ATOM 0 HD1 TRP A 27 0.853 -1.078 6.208 1.00 0.43 H new ATOM 0 HE1 TRP A 27 0.818 -2.822 8.107 1.00 0.48 H new ATOM 0 HE3 TRP A 27 -3.492 -3.449 4.953 1.00 0.56 H new ATOM 0 HZ2 TRP A 27 -0.861 -4.929 8.918 1.00 0.63 H new ATOM 0 HZ3 TRP A 27 -4.248 -5.338 6.341 1.00 0.68 H new ATOM 0 HH2 TRP A 27 -2.949 -6.063 8.301 1.00 0.71 H new ATOM 452 N LEU A 28 0.145 0.862 1.930 1.00 0.32 N ATOM 453 CA LEU A 28 -0.088 1.538 0.665 1.00 0.33 C ATOM 454 C LEU A 28 -0.133 0.521 -0.467 1.00 0.32 C ATOM 455 O LEU A 28 0.640 -0.437 -0.474 1.00 0.32 O ATOM 456 CB LEU A 28 1.019 2.563 0.412 1.00 0.36 C ATOM 457 CG LEU A 28 0.547 3.982 0.090 1.00 0.56 C ATOM 458 CD1 LEU A 28 1.655 4.987 0.367 1.00 0.85 C ATOM 459 CD2 LEU A 28 0.093 4.074 -1.357 1.00 0.99 C ATOM 0 H LEU A 28 1.103 0.536 2.061 1.00 0.32 H new ATOM 0 HA LEU A 28 -1.046 2.057 0.708 1.00 0.33 H new ATOM 0 HB2 LEU A 28 1.659 2.604 1.293 1.00 0.36 H new ATOM 0 HB3 LEU A 28 1.635 2.208 -0.414 1.00 0.36 H new ATOM 0 HG LEU A 28 -0.301 4.219 0.733 1.00 0.56 H new ATOM 0 HD11 LEU A 28 1.302 5.991 0.133 1.00 0.85 H new ATOM 0 HD12 LEU A 28 1.936 4.938 1.419 1.00 0.85 H new ATOM 0 HD13 LEU A 28 2.521 4.753 -0.252 1.00 0.85 H new ATOM 0 HD21 LEU A 28 -0.240 5.090 -1.570 1.00 0.99 H new ATOM 0 HD22 LEU A 28 0.923 3.818 -2.016 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -0.730 3.380 -1.525 1.00 0.99 H new ATOM 471 N ILE A 29 -1.040 0.721 -1.411 1.00 0.35 N ATOM 472 CA ILE A 29 -1.168 -0.188 -2.535 1.00 0.36 C ATOM 473 C ILE A 29 -0.462 0.372 -3.763 1.00 0.36 C ATOM 474 O ILE A 29 -0.852 1.409 -4.302 1.00 0.39 O ATOM 475 CB ILE A 29 -2.647 -0.472 -2.869 1.00 0.42 C ATOM 476 CG1 ILE A 29 -3.350 -1.115 -1.672 1.00 0.50 C ATOM 477 CG2 ILE A 29 -2.753 -1.371 -4.092 1.00 0.44 C ATOM 478 CD1 ILE A 29 -4.853 -1.205 -1.829 1.00 0.80 C ATOM 0 H ILE A 29 -1.695 1.503 -1.420 1.00 0.35 H new ATOM 0 HA ILE A 29 -0.696 -1.127 -2.247 1.00 0.36 H new ATOM 0 HB ILE A 29 -3.139 0.475 -3.092 1.00 0.42 H new ATOM 0 HG12 ILE A 29 -2.948 -2.117 -1.520 1.00 0.50 H new ATOM 0 HG13 ILE A 29 -3.120 -0.540 -0.775 1.00 0.50 H new ATOM 0 HG21 ILE A 29 -3.803 -1.561 -4.314 1.00 0.44 H new ATOM 0 HG22 ILE A 29 -2.285 -0.881 -4.946 1.00 0.44 H new ATOM 0 HG23 ILE A 29 -2.247 -2.316 -3.894 1.00 0.44 H new ATOM 0 HD11 ILE A 29 -5.284 -1.671 -0.943 1.00 0.80 H new ATOM 0 HD12 ILE A 29 -5.267 -0.204 -1.950 1.00 0.80 H new ATOM 0 HD13 ILE A 29 -5.092 -1.805 -2.707 1.00 0.80 H new ATOM 490 N LEU A 30 0.592 -0.309 -4.179 1.00 0.34 N ATOM 491 CA LEU A 30 1.359 0.090 -5.346 1.00 0.37 C ATOM 492 C LEU A 30 1.527 -1.101 -6.275 1.00 0.38 C ATOM 493 O LEU A 30 2.038 -2.140 -5.861 1.00 0.38 O ATOM 494 CB LEU A 30 2.732 0.625 -4.932 1.00 0.38 C ATOM 495 CG LEU A 30 2.705 1.821 -3.981 1.00 0.40 C ATOM 496 CD1 LEU A 30 4.085 2.071 -3.395 1.00 0.44 C ATOM 497 CD2 LEU A 30 2.206 3.063 -4.700 1.00 0.48 C ATOM 0 H LEU A 30 0.939 -1.151 -3.719 1.00 0.34 H new ATOM 0 HA LEU A 30 0.822 0.884 -5.864 1.00 0.37 H new ATOM 0 HB2 LEU A 30 3.291 -0.182 -4.459 1.00 0.38 H new ATOM 0 HB3 LEU A 30 3.280 0.908 -5.831 1.00 0.38 H new ATOM 0 HG LEU A 30 2.019 1.592 -3.165 1.00 0.40 H new ATOM 0 HD11 LEU A 30 4.044 2.926 -2.721 1.00 0.44 H new ATOM 0 HD12 LEU A 30 4.411 1.189 -2.843 1.00 0.44 H new ATOM 0 HD13 LEU A 30 4.790 2.277 -4.200 1.00 0.44 H new ATOM 0 HD21 LEU A 30 2.194 3.904 -4.007 1.00 0.48 H new ATOM 0 HD22 LEU A 30 2.868 3.291 -5.535 1.00 0.48 H new ATOM 0 HD23 LEU A 30 1.198 2.886 -5.074 1.00 0.48 H new ATOM 509 N HIS A 31 1.072 -0.956 -7.516 1.00 0.41 N ATOM 510 CA HIS A 31 1.162 -2.028 -8.510 1.00 0.43 C ATOM 511 C HIS A 31 0.295 -3.209 -8.080 1.00 0.42 C ATOM 512 O HIS A 31 0.613 -4.365 -8.361 1.00 0.45 O ATOM 513 CB HIS A 31 2.617 -2.478 -8.720 1.00 0.47 C ATOM 514 CG HIS A 31 3.393 -1.598 -9.654 1.00 0.66 C ATOM 515 ND1 HIS A 31 4.130 -2.085 -10.709 1.00 1.11 N ATOM 516 CD2 HIS A 31 3.546 -0.252 -9.685 1.00 1.10 C ATOM 517 CE1 HIS A 31 4.701 -1.082 -11.348 1.00 1.22 C ATOM 518 NE2 HIS A 31 4.362 0.043 -10.747 1.00 1.18 N ATOM 0 H HIS A 31 0.634 -0.102 -7.862 1.00 0.41 H new ATOM 0 HA HIS A 31 0.796 -1.642 -9.461 1.00 0.43 H new ATOM 0 HB2 HIS A 31 3.123 -2.503 -7.755 1.00 0.47 H new ATOM 0 HB3 HIS A 31 2.620 -3.497 -9.108 1.00 0.47 H new ATOM 0 HD2 HIS A 31 3.106 0.458 -9.000 1.00 1.10 H new ATOM 0 HE1 HIS A 31 5.338 -1.167 -12.216 1.00 1.22 H new ATOM 0 HE2 HIS A 31 4.658 0.978 -11.026 1.00 1.18 H new ATOM 527 N HIS A 32 -0.806 -2.889 -7.393 1.00 0.42 N ATOM 528 CA HIS A 32 -1.757 -3.887 -6.895 1.00 0.44 C ATOM 529 C HIS A 32 -1.124 -4.761 -5.811 1.00 0.40 C ATOM 530 O HIS A 32 -1.524 -5.909 -5.607 1.00 0.44 O ATOM 531 CB HIS A 32 -2.307 -4.751 -8.039 1.00 0.52 C ATOM 532 CG HIS A 32 -3.355 -4.055 -8.860 1.00 0.68 C ATOM 533 ND1 HIS A 32 -3.610 -4.357 -10.179 1.00 1.01 N ATOM 534 CD2 HIS A 32 -4.217 -3.063 -8.532 1.00 0.85 C ATOM 535 CE1 HIS A 32 -4.583 -3.581 -10.626 1.00 1.09 C ATOM 536 NE2 HIS A 32 -4.969 -2.788 -9.644 1.00 0.97 N ATOM 0 H HIS A 32 -1.063 -1.928 -7.166 1.00 0.42 H new ATOM 0 HA HIS A 32 -2.593 -3.349 -6.449 1.00 0.44 H new ATOM 0 HB2 HIS A 32 -1.484 -5.047 -8.689 1.00 0.52 H new ATOM 0 HB3 HIS A 32 -2.730 -5.666 -7.623 1.00 0.52 H new ATOM 0 HD2 HIS A 32 -4.297 -2.578 -7.570 1.00 0.85 H new ATOM 0 HE1 HIS A 32 -4.992 -3.594 -11.625 1.00 1.09 H new ATOM 0 HE2 HIS A 32 -5.706 -2.086 -9.703 1.00 0.97 H new ATOM 545 N LYS A 33 -0.144 -4.197 -5.112 1.00 0.37 N ATOM 546 CA LYS A 33 0.546 -4.897 -4.035 1.00 0.37 C ATOM 547 C LYS A 33 0.480 -4.057 -2.763 1.00 0.33 C ATOM 548 O LYS A 33 0.349 -2.836 -2.835 1.00 0.36 O ATOM 549 CB LYS A 33 2.003 -5.180 -4.420 1.00 0.40 C ATOM 550 CG LYS A 33 2.186 -5.550 -5.882 1.00 0.57 C ATOM 551 CD LYS A 33 3.492 -6.285 -6.125 1.00 0.79 C ATOM 552 CE LYS A 33 3.780 -6.435 -7.610 1.00 0.94 C ATOM 553 NZ LYS A 33 2.578 -6.864 -8.376 1.00 1.02 N ATOM 0 H LYS A 33 0.192 -3.248 -5.275 1.00 0.37 H new ATOM 0 HA LYS A 33 0.055 -5.854 -3.858 1.00 0.37 H new ATOM 0 HB2 LYS A 33 2.606 -4.299 -4.199 1.00 0.40 H new ATOM 0 HB3 LYS A 33 2.383 -5.991 -3.799 1.00 0.40 H new ATOM 0 HG2 LYS A 33 1.353 -6.175 -6.204 1.00 0.57 H new ATOM 0 HG3 LYS A 33 2.160 -4.646 -6.490 1.00 0.57 H new ATOM 0 HD2 LYS A 33 4.309 -5.744 -5.648 1.00 0.79 H new ATOM 0 HD3 LYS A 33 3.448 -7.270 -5.661 1.00 0.79 H new ATOM 0 HE2 LYS A 33 4.141 -5.486 -8.006 1.00 0.94 H new ATOM 0 HE3 LYS A 33 4.578 -7.164 -7.752 1.00 0.94 H new ATOM 0 HZ1 LYS A 33 2.874 -7.290 -9.277 1.00 1.02 H new ATOM 0 HZ2 LYS A 33 2.044 -7.563 -7.821 1.00 1.02 H new ATOM 0 HZ3 LYS A 33 1.974 -6.039 -8.566 1.00 1.02 H new ATOM 567 N VAL A 34 0.573 -4.704 -1.609 1.00 0.30 N ATOM 568 CA VAL A 34 0.491 -4.006 -0.330 1.00 0.30 C ATOM 569 C VAL A 34 1.873 -3.799 0.289 1.00 0.27 C ATOM 570 O VAL A 34 2.620 -4.759 0.507 1.00 0.28 O ATOM 571 CB VAL A 34 -0.396 -4.780 0.672 1.00 0.32 C ATOM 572 CG1 VAL A 34 -0.718 -3.917 1.881 1.00 0.36 C ATOM 573 CG2 VAL A 34 -1.677 -5.260 0.005 1.00 0.35 C ATOM 0 H VAL A 34 0.705 -5.712 -1.531 1.00 0.30 H new ATOM 0 HA VAL A 34 0.045 -3.033 -0.534 1.00 0.30 H new ATOM 0 HB VAL A 34 0.161 -5.654 1.010 1.00 0.32 H new ATOM 0 HG11 VAL A 34 -1.343 -4.480 2.574 1.00 0.36 H new ATOM 0 HG12 VAL A 34 0.208 -3.629 2.379 1.00 0.36 H new ATOM 0 HG13 VAL A 34 -1.250 -3.022 1.558 1.00 0.36 H new ATOM 0 HG21 VAL A 34 -2.284 -5.802 0.730 1.00 0.35 H new ATOM 0 HG22 VAL A 34 -2.237 -4.402 -0.368 1.00 0.35 H new ATOM 0 HG23 VAL A 34 -1.429 -5.920 -0.826 1.00 0.35 H new ATOM 583 N TYR A 35 2.200 -2.544 0.568 1.00 0.28 N ATOM 584 CA TYR A 35 3.478 -2.190 1.172 1.00 0.28 C ATOM 585 C TYR A 35 3.258 -1.404 2.462 1.00 0.30 C ATOM 586 O TYR A 35 2.466 -0.461 2.489 1.00 0.32 O ATOM 587 CB TYR A 35 4.318 -1.340 0.213 1.00 0.31 C ATOM 588 CG TYR A 35 4.586 -1.983 -1.128 1.00 0.31 C ATOM 589 CD1 TYR A 35 3.687 -1.844 -2.177 1.00 0.43 C ATOM 590 CD2 TYR A 35 5.744 -2.722 -1.350 1.00 0.35 C ATOM 591 CE1 TYR A 35 3.932 -2.422 -3.405 1.00 0.47 C ATOM 592 CE2 TYR A 35 5.993 -3.303 -2.577 1.00 0.40 C ATOM 593 CZ TYR A 35 5.082 -3.150 -3.600 1.00 0.41 C ATOM 594 OH TYR A 35 5.324 -3.724 -4.825 1.00 0.48 O ATOM 0 H TYR A 35 1.591 -1.747 0.383 1.00 0.28 H new ATOM 0 HA TYR A 35 4.008 -3.117 1.391 1.00 0.28 H new ATOM 0 HB2 TYR A 35 3.809 -0.390 0.050 1.00 0.31 H new ATOM 0 HB3 TYR A 35 5.272 -1.114 0.690 1.00 0.31 H new ATOM 0 HD1 TYR A 35 2.782 -1.274 -2.029 1.00 0.43 H new ATOM 0 HD2 TYR A 35 6.459 -2.843 -0.550 1.00 0.35 H new ATOM 0 HE1 TYR A 35 3.223 -2.303 -4.211 1.00 0.47 H new ATOM 0 HE2 TYR A 35 6.896 -3.874 -2.735 1.00 0.40 H new ATOM 0 HH TYR A 35 6.179 -4.203 -4.799 1.00 0.48 H new ATOM 604 N ASP A 36 3.952 -1.790 3.525 1.00 0.32 N ATOM 605 CA ASP A 36 3.837 -1.097 4.805 1.00 0.36 C ATOM 606 C ASP A 36 5.050 -0.207 5.013 1.00 0.38 C ATOM 607 O ASP A 36 6.164 -0.691 5.229 1.00 0.50 O ATOM 608 CB ASP A 36 3.715 -2.084 5.967 1.00 0.43 C ATOM 609 CG ASP A 36 3.328 -1.417 7.283 1.00 0.57 C ATOM 610 OD1 ASP A 36 3.572 -0.196 7.446 1.00 0.90 O ATOM 611 OD2 ASP A 36 2.775 -2.122 8.159 1.00 1.28 O ATOM 0 H ASP A 36 4.600 -2.578 3.528 1.00 0.32 H new ATOM 0 HA ASP A 36 2.931 -0.491 4.782 1.00 0.36 H new ATOM 0 HB2 ASP A 36 2.970 -2.839 5.717 1.00 0.43 H new ATOM 0 HB3 ASP A 36 4.665 -2.603 6.096 1.00 0.43 H new ATOM 616 N LEU A 37 4.834 1.091 4.938 1.00 0.37 N ATOM 617 CA LEU A 37 5.908 2.051 5.108 1.00 0.43 C ATOM 618 C LEU A 37 5.624 2.963 6.293 1.00 0.37 C ATOM 619 O LEU A 37 6.014 4.129 6.299 1.00 0.40 O ATOM 620 CB LEU A 37 6.100 2.881 3.830 1.00 0.56 C ATOM 621 CG LEU A 37 4.893 3.714 3.390 1.00 0.66 C ATOM 622 CD1 LEU A 37 5.351 4.987 2.691 1.00 0.86 C ATOM 623 CD2 LEU A 37 3.990 2.904 2.473 1.00 0.80 C ATOM 0 H LEU A 37 3.920 1.507 4.760 1.00 0.37 H new ATOM 0 HA LEU A 37 6.829 1.502 5.304 1.00 0.43 H new ATOM 0 HB2 LEU A 37 6.946 3.552 3.979 1.00 0.56 H new ATOM 0 HB3 LEU A 37 6.368 2.206 3.017 1.00 0.56 H new ATOM 0 HG LEU A 37 4.325 3.990 4.278 1.00 0.66 H new ATOM 0 HD11 LEU A 37 4.481 5.567 2.385 1.00 0.86 H new ATOM 0 HD12 LEU A 37 5.959 5.579 3.375 1.00 0.86 H new ATOM 0 HD13 LEU A 37 5.941 4.727 1.812 1.00 0.86 H new ATOM 0 HD21 LEU A 37 3.138 3.513 2.171 1.00 0.80 H new ATOM 0 HD22 LEU A 37 4.549 2.598 1.589 1.00 0.80 H new ATOM 0 HD23 LEU A 37 3.635 2.019 3.001 1.00 0.80 H new ATOM 635 N THR A 38 4.970 2.415 7.313 1.00 0.34 N ATOM 636 CA THR A 38 4.623 3.176 8.508 1.00 0.36 C ATOM 637 C THR A 38 5.865 3.755 9.203 1.00 0.38 C ATOM 638 O THR A 38 5.765 4.711 9.972 1.00 0.44 O ATOM 639 CB THR A 38 3.802 2.309 9.496 1.00 0.41 C ATOM 640 OG1 THR A 38 2.868 3.129 10.205 1.00 0.48 O ATOM 641 CG2 THR A 38 4.691 1.574 10.490 1.00 0.48 C ATOM 0 H THR A 38 4.668 1.441 7.335 1.00 0.34 H new ATOM 0 HA THR A 38 4.007 4.016 8.185 1.00 0.36 H new ATOM 0 HB THR A 38 3.271 1.561 8.908 1.00 0.41 H new ATOM 0 HG1 THR A 38 2.340 3.651 9.566 1.00 0.48 H new ATOM 0 HG21 THR A 38 4.072 0.980 11.162 1.00 0.48 H new ATOM 0 HG22 THR A 38 5.375 0.918 9.951 1.00 0.48 H new ATOM 0 HG23 THR A 38 5.264 2.298 11.070 1.00 0.48 H new ATOM 649 N LYS A 39 7.031 3.186 8.917 1.00 0.39 N ATOM 650 CA LYS A 39 8.272 3.659 9.518 1.00 0.47 C ATOM 651 C LYS A 39 9.135 4.392 8.492 1.00 0.47 C ATOM 652 O LYS A 39 10.250 4.816 8.794 1.00 0.59 O ATOM 653 CB LYS A 39 9.051 2.489 10.126 1.00 0.56 C ATOM 654 CG LYS A 39 8.451 1.960 11.422 1.00 0.75 C ATOM 655 CD LYS A 39 8.592 2.966 12.555 1.00 0.92 C ATOM 656 CE LYS A 39 7.861 2.510 13.809 1.00 1.27 C ATOM 657 NZ LYS A 39 7.929 3.530 14.889 1.00 1.50 N ATOM 0 H LYS A 39 7.143 2.400 8.276 1.00 0.39 H new ATOM 0 HA LYS A 39 8.016 4.362 10.311 1.00 0.47 H new ATOM 0 HB2 LYS A 39 9.096 1.678 9.399 1.00 0.56 H new ATOM 0 HB3 LYS A 39 10.077 2.806 10.314 1.00 0.56 H new ATOM 0 HG2 LYS A 39 7.397 1.729 11.268 1.00 0.75 H new ATOM 0 HG3 LYS A 39 8.944 1.028 11.698 1.00 0.75 H new ATOM 0 HD2 LYS A 39 9.648 3.112 12.782 1.00 0.92 H new ATOM 0 HD3 LYS A 39 8.199 3.931 12.235 1.00 0.92 H new ATOM 0 HE2 LYS A 39 6.818 2.305 13.568 1.00 1.27 H new ATOM 0 HE3 LYS A 39 8.296 1.575 14.164 1.00 1.27 H new ATOM 0 HZ1 LYS A 39 7.420 3.183 15.727 1.00 1.50 H new ATOM 0 HZ2 LYS A 39 8.923 3.707 15.137 1.00 1.50 H new ATOM 0 HZ3 LYS A 39 7.492 4.414 14.560 1.00 1.50 H new ATOM 671 N PHE A 40 8.612 4.559 7.284 1.00 0.40 N ATOM 672 CA PHE A 40 9.344 5.244 6.221 1.00 0.44 C ATOM 673 C PHE A 40 8.681 6.577 5.885 1.00 0.40 C ATOM 674 O PHE A 40 9.185 7.346 5.070 1.00 0.42 O ATOM 675 CB PHE A 40 9.422 4.360 4.972 1.00 0.52 C ATOM 676 CG PHE A 40 10.544 4.725 4.032 1.00 1.16 C ATOM 677 CD1 PHE A 40 11.852 4.362 4.316 1.00 1.66 C ATOM 678 CD2 PHE A 40 10.287 5.428 2.865 1.00 1.77 C ATOM 679 CE1 PHE A 40 12.881 4.691 3.453 1.00 2.39 C ATOM 680 CE2 PHE A 40 11.313 5.761 2.000 1.00 2.45 C ATOM 681 CZ PHE A 40 12.611 5.391 2.294 1.00 2.68 C ATOM 0 H PHE A 40 7.685 4.231 7.014 1.00 0.40 H new ATOM 0 HA PHE A 40 10.356 5.441 6.573 1.00 0.44 H new ATOM 0 HB2 PHE A 40 9.544 3.322 5.281 1.00 0.52 H new ATOM 0 HB3 PHE A 40 8.476 4.424 4.434 1.00 0.52 H new ATOM 0 HD1 PHE A 40 12.069 3.816 5.222 1.00 1.66 H new ATOM 0 HD2 PHE A 40 9.274 5.719 2.629 1.00 1.77 H new ATOM 0 HE1 PHE A 40 13.895 4.401 3.685 1.00 2.39 H new ATOM 0 HE2 PHE A 40 11.100 6.310 1.095 1.00 2.45 H new ATOM 0 HZ PHE A 40 13.413 5.649 1.618 1.00 2.68 H new ATOM 691 N LEU A 41 7.556 6.853 6.535 1.00 0.39 N ATOM 692 CA LEU A 41 6.809 8.092 6.313 1.00 0.43 C ATOM 693 C LEU A 41 7.690 9.322 6.528 1.00 0.44 C ATOM 694 O LEU A 41 7.612 10.301 5.786 1.00 0.47 O ATOM 695 CB LEU A 41 5.601 8.160 7.255 1.00 0.49 C ATOM 696 CG LEU A 41 4.630 6.982 7.164 1.00 0.48 C ATOM 697 CD1 LEU A 41 3.594 7.064 8.270 1.00 0.55 C ATOM 698 CD2 LEU A 41 3.951 6.951 5.803 1.00 0.59 C ATOM 0 H LEU A 41 7.136 6.231 7.226 1.00 0.39 H new ATOM 0 HA LEU A 41 6.468 8.089 5.278 1.00 0.43 H new ATOM 0 HB2 LEU A 41 5.965 8.230 8.280 1.00 0.49 H new ATOM 0 HB3 LEU A 41 5.052 9.078 7.048 1.00 0.49 H new ATOM 0 HG LEU A 41 5.197 6.059 7.286 1.00 0.48 H new ATOM 0 HD11 LEU A 41 2.910 6.219 8.192 1.00 0.55 H new ATOM 0 HD12 LEU A 41 4.093 7.038 9.239 1.00 0.55 H new ATOM 0 HD13 LEU A 41 3.033 7.994 8.175 1.00 0.55 H new ATOM 0 HD21 LEU A 41 3.264 6.106 5.758 1.00 0.59 H new ATOM 0 HD22 LEU A 41 3.397 7.877 5.652 1.00 0.59 H new ATOM 0 HD23 LEU A 41 4.705 6.848 5.023 1.00 0.59 H new ATOM 710 N GLU A 42 8.540 9.254 7.540 1.00 0.49 N ATOM 711 CA GLU A 42 9.431 10.357 7.867 1.00 0.56 C ATOM 712 C GLU A 42 10.790 10.189 7.194 1.00 0.54 C ATOM 713 O GLU A 42 11.687 11.013 7.367 1.00 0.66 O ATOM 714 CB GLU A 42 9.597 10.458 9.382 1.00 0.67 C ATOM 715 CG GLU A 42 10.008 9.151 10.033 1.00 0.72 C ATOM 716 CD GLU A 42 9.975 9.226 11.541 1.00 0.93 C ATOM 717 OE1 GLU A 42 10.889 9.840 12.127 1.00 1.50 O ATOM 718 OE2 GLU A 42 9.039 8.666 12.147 1.00 1.40 O ATOM 0 H GLU A 42 8.632 8.443 8.152 1.00 0.49 H new ATOM 0 HA GLU A 42 8.986 11.279 7.492 1.00 0.56 H new ATOM 0 HB2 GLU A 42 10.345 11.218 9.608 1.00 0.67 H new ATOM 0 HB3 GLU A 42 8.658 10.794 9.821 1.00 0.67 H new ATOM 0 HG2 GLU A 42 9.343 8.355 9.696 1.00 0.72 H new ATOM 0 HG3 GLU A 42 11.014 8.886 9.707 1.00 0.72 H new ATOM 725 N GLU A 43 10.934 9.123 6.418 1.00 0.48 N ATOM 726 CA GLU A 43 12.180 8.851 5.713 1.00 0.50 C ATOM 727 C GLU A 43 12.000 9.124 4.227 1.00 0.43 C ATOM 728 O GLU A 43 12.938 9.029 3.440 1.00 0.54 O ATOM 729 CB GLU A 43 12.617 7.399 5.918 1.00 0.58 C ATOM 730 CG GLU A 43 12.654 6.964 7.372 1.00 0.76 C ATOM 731 CD GLU A 43 13.757 7.631 8.167 1.00 0.96 C ATOM 732 OE1 GLU A 43 14.833 7.907 7.595 1.00 1.56 O ATOM 733 OE2 GLU A 43 13.563 7.862 9.379 1.00 1.46 O ATOM 0 H GLU A 43 10.202 8.431 6.260 1.00 0.48 H new ATOM 0 HA GLU A 43 12.953 9.506 6.116 1.00 0.50 H new ATOM 0 HB2 GLU A 43 11.937 6.745 5.371 1.00 0.58 H new ATOM 0 HB3 GLU A 43 13.608 7.264 5.484 1.00 0.58 H new ATOM 0 HG2 GLU A 43 11.694 7.189 7.836 1.00 0.76 H new ATOM 0 HG3 GLU A 43 12.785 5.883 7.418 1.00 0.76 H new ATOM 740 N HIS A 44 10.778 9.462 3.855 1.00 0.43 N ATOM 741 CA HIS A 44 10.452 9.742 2.471 1.00 0.39 C ATOM 742 C HIS A 44 10.917 11.147 2.097 1.00 0.43 C ATOM 743 O HIS A 44 10.579 12.115 2.781 1.00 0.51 O ATOM 744 CB HIS A 44 8.940 9.601 2.256 1.00 0.41 C ATOM 745 CG HIS A 44 8.535 9.533 0.817 1.00 0.39 C ATOM 746 ND1 HIS A 44 7.712 10.456 0.209 1.00 0.42 N ATOM 747 CD2 HIS A 44 8.856 8.626 -0.143 1.00 0.41 C ATOM 748 CE1 HIS A 44 7.564 10.095 -1.072 1.00 0.40 C ATOM 749 NE2 HIS A 44 8.240 8.992 -1.336 1.00 0.41 N ATOM 0 H HIS A 44 9.991 9.549 4.498 1.00 0.43 H new ATOM 0 HA HIS A 44 10.966 9.026 1.829 1.00 0.39 H new ATOM 0 HB2 HIS A 44 8.593 8.701 2.764 1.00 0.41 H new ATOM 0 HB3 HIS A 44 8.436 10.446 2.725 1.00 0.41 H new ATOM 0 HD1 HIS A 44 7.290 11.270 0.656 1.00 0.42 H new ATOM 0 HD2 HIS A 44 9.487 7.761 -0.003 1.00 0.41 H new ATOM 0 HE1 HIS A 44 6.970 10.635 -1.794 1.00 0.40 H new ATOM 757 N PRO A 45 11.712 11.274 1.019 1.00 0.44 N ATOM 758 CA PRO A 45 12.225 12.569 0.556 1.00 0.53 C ATOM 759 C PRO A 45 11.139 13.416 -0.103 1.00 0.62 C ATOM 760 O PRO A 45 11.092 13.555 -1.325 1.00 1.11 O ATOM 761 CB PRO A 45 13.298 12.176 -0.464 1.00 0.58 C ATOM 762 CG PRO A 45 12.836 10.869 -0.997 1.00 0.56 C ATOM 763 CD PRO A 45 12.177 10.165 0.159 1.00 0.44 C ATOM 0 HA PRO A 45 12.602 13.181 1.375 1.00 0.53 H new ATOM 0 HB2 PRO A 45 13.386 12.920 -1.256 1.00 0.58 H new ATOM 0 HB3 PRO A 45 14.279 12.091 0.003 1.00 0.58 H new ATOM 0 HG2 PRO A 45 12.136 11.008 -1.821 1.00 0.56 H new ATOM 0 HG3 PRO A 45 13.672 10.287 -1.384 1.00 0.56 H new ATOM 0 HD2 PRO A 45 11.348 9.539 -0.172 1.00 0.44 H new ATOM 0 HD3 PRO A 45 12.877 9.515 0.685 1.00 0.44 H new ATOM 771 N GLY A 46 10.265 13.972 0.718 1.00 0.75 N ATOM 772 CA GLY A 46 9.186 14.797 0.223 1.00 0.82 C ATOM 773 C GLY A 46 8.122 14.994 1.275 1.00 0.83 C ATOM 774 O GLY A 46 8.417 15.409 2.399 1.00 1.38 O ATOM 0 H GLY A 46 10.285 13.864 1.732 1.00 0.75 H new ATOM 0 HA2 GLY A 46 9.578 15.766 -0.087 1.00 0.82 H new ATOM 0 HA3 GLY A 46 8.746 14.334 -0.660 1.00 0.82 H new ATOM 778 N GLY A 47 6.887 14.684 0.922 1.00 0.66 N ATOM 779 CA GLY A 47 5.797 14.826 1.858 1.00 0.67 C ATOM 780 C GLY A 47 5.446 13.514 2.522 1.00 0.60 C ATOM 781 O GLY A 47 5.735 12.443 1.984 1.00 0.64 O ATOM 0 H GLY A 47 6.620 14.336 0.001 1.00 0.66 H new ATOM 0 HA2 GLY A 47 6.067 15.557 2.620 1.00 0.67 H new ATOM 0 HA3 GLY A 47 4.921 15.215 1.338 1.00 0.67 H new ATOM 785 N GLU A 48 4.835 13.595 3.691 1.00 0.61 N ATOM 786 CA GLU A 48 4.433 12.408 4.428 1.00 0.63 C ATOM 787 C GLU A 48 2.918 12.258 4.402 1.00 0.63 C ATOM 788 O GLU A 48 2.390 11.146 4.440 1.00 0.65 O ATOM 789 CB GLU A 48 4.940 12.474 5.870 1.00 0.76 C ATOM 790 CG GLU A 48 4.669 13.803 6.555 1.00 0.95 C ATOM 791 CD GLU A 48 5.284 13.882 7.936 1.00 1.21 C ATOM 792 OE1 GLU A 48 4.637 13.431 8.903 1.00 1.79 O ATOM 793 OE2 GLU A 48 6.422 14.389 8.058 1.00 1.86 O ATOM 0 H GLU A 48 4.605 14.475 4.153 1.00 0.61 H new ATOM 0 HA GLU A 48 4.877 11.536 3.948 1.00 0.63 H new ATOM 0 HB2 GLU A 48 4.472 11.676 6.447 1.00 0.76 H new ATOM 0 HB3 GLU A 48 6.013 12.284 5.877 1.00 0.76 H new ATOM 0 HG2 GLU A 48 5.062 14.612 5.939 1.00 0.95 H new ATOM 0 HG3 GLU A 48 3.592 13.955 6.631 1.00 0.95 H new ATOM 800 N GLU A 49 2.221 13.385 4.318 1.00 0.66 N ATOM 801 CA GLU A 49 0.770 13.378 4.275 1.00 0.74 C ATOM 802 C GLU A 49 0.299 12.723 2.985 1.00 0.68 C ATOM 803 O GLU A 49 -0.715 12.030 2.962 1.00 0.72 O ATOM 804 CB GLU A 49 0.220 14.797 4.381 1.00 0.86 C ATOM 805 CG GLU A 49 -1.259 14.850 4.716 1.00 1.10 C ATOM 806 CD GLU A 49 -1.843 16.231 4.515 1.00 1.32 C ATOM 807 OE1 GLU A 49 -1.759 17.056 5.451 1.00 1.69 O ATOM 808 OE2 GLU A 49 -2.380 16.498 3.420 1.00 1.81 O ATOM 0 H GLU A 49 2.641 14.314 4.278 1.00 0.66 H new ATOM 0 HA GLU A 49 0.396 12.806 5.124 1.00 0.74 H new ATOM 0 HB2 GLU A 49 0.777 15.338 5.146 1.00 0.86 H new ATOM 0 HB3 GLU A 49 0.389 15.315 3.437 1.00 0.86 H new ATOM 0 HG2 GLU A 49 -1.797 14.136 4.092 1.00 1.10 H new ATOM 0 HG3 GLU A 49 -1.406 14.543 5.751 1.00 1.10 H new ATOM 815 N VAL A 50 1.076 12.918 1.925 1.00 0.63 N ATOM 816 CA VAL A 50 0.759 12.348 0.618 1.00 0.60 C ATOM 817 C VAL A 50 0.823 10.824 0.651 1.00 0.54 C ATOM 818 O VAL A 50 0.290 10.151 -0.224 1.00 0.54 O ATOM 819 CB VAL A 50 1.706 12.871 -0.483 1.00 0.64 C ATOM 820 CG1 VAL A 50 1.584 14.381 -0.616 1.00 0.75 C ATOM 821 CG2 VAL A 50 3.149 12.471 -0.204 1.00 0.62 C ATOM 0 H VAL A 50 1.934 13.469 1.945 1.00 0.63 H new ATOM 0 HA VAL A 50 -0.258 12.662 0.381 1.00 0.60 H new ATOM 0 HB VAL A 50 1.410 12.414 -1.427 1.00 0.64 H new ATOM 0 HG11 VAL A 50 2.258 14.733 -1.397 1.00 0.75 H new ATOM 0 HG12 VAL A 50 0.558 14.642 -0.878 1.00 0.75 H new ATOM 0 HG13 VAL A 50 1.848 14.852 0.331 1.00 0.75 H new ATOM 0 HG21 VAL A 50 3.792 12.853 -0.996 1.00 0.62 H new ATOM 0 HG22 VAL A 50 3.464 12.889 0.752 1.00 0.62 H new ATOM 0 HG23 VAL A 50 3.225 11.384 -0.168 1.00 0.62 H new ATOM 831 N LEU A 51 1.479 10.285 1.671 1.00 0.52 N ATOM 832 CA LEU A 51 1.605 8.843 1.817 1.00 0.50 C ATOM 833 C LEU A 51 0.448 8.290 2.643 1.00 0.53 C ATOM 834 O LEU A 51 -0.177 7.297 2.274 1.00 0.55 O ATOM 835 CB LEU A 51 2.936 8.487 2.487 1.00 0.48 C ATOM 836 CG LEU A 51 4.182 9.090 1.833 1.00 0.46 C ATOM 837 CD1 LEU A 51 5.400 8.874 2.717 1.00 0.49 C ATOM 838 CD2 LEU A 51 4.411 8.492 0.453 1.00 0.47 C ATOM 0 H LEU A 51 1.931 10.826 2.408 1.00 0.52 H new ATOM 0 HA LEU A 51 1.578 8.395 0.824 1.00 0.50 H new ATOM 0 HB2 LEU A 51 2.899 8.812 3.527 1.00 0.48 H new ATOM 0 HB3 LEU A 51 3.040 7.402 2.496 1.00 0.48 H new ATOM 0 HG LEU A 51 4.023 10.162 1.716 1.00 0.46 H new ATOM 0 HD11 LEU A 51 6.278 9.308 2.239 1.00 0.49 H new ATOM 0 HD12 LEU A 51 5.238 9.353 3.683 1.00 0.49 H new ATOM 0 HD13 LEU A 51 5.558 7.806 2.864 1.00 0.49 H new ATOM 0 HD21 LEU A 51 5.302 8.935 0.008 1.00 0.47 H new ATOM 0 HD22 LEU A 51 4.548 7.414 0.542 1.00 0.47 H new ATOM 0 HD23 LEU A 51 3.548 8.697 -0.180 1.00 0.47 H new ATOM 850 N ARG A 52 0.154 8.956 3.756 1.00 0.59 N ATOM 851 CA ARG A 52 -0.925 8.527 4.643 1.00 0.66 C ATOM 852 C ARG A 52 -2.295 8.691 3.989 1.00 0.65 C ATOM 853 O ARG A 52 -3.211 7.920 4.265 1.00 0.69 O ATOM 854 CB ARG A 52 -0.878 9.291 5.968 1.00 0.79 C ATOM 855 CG ARG A 52 -0.851 10.803 5.808 1.00 0.97 C ATOM 856 CD ARG A 52 -1.996 11.471 6.551 1.00 1.22 C ATOM 857 NE ARG A 52 -1.876 11.310 7.995 1.00 1.50 N ATOM 858 CZ ARG A 52 -2.045 12.291 8.882 1.00 1.90 C ATOM 859 NH1 ARG A 52 -2.339 13.522 8.480 1.00 2.00 N ATOM 860 NH2 ARG A 52 -1.921 12.037 10.176 1.00 2.61 N ATOM 0 H ARG A 52 0.647 9.794 4.066 1.00 0.59 H new ATOM 0 HA ARG A 52 -0.774 7.466 4.843 1.00 0.66 H new ATOM 0 HB2 ARG A 52 -1.746 9.014 6.566 1.00 0.79 H new ATOM 0 HB3 ARG A 52 0.005 8.979 6.525 1.00 0.79 H new ATOM 0 HG2 ARG A 52 0.098 11.191 6.179 1.00 0.97 H new ATOM 0 HG3 ARG A 52 -0.907 11.057 4.750 1.00 0.97 H new ATOM 0 HD2 ARG A 52 -2.018 12.533 6.305 1.00 1.22 H new ATOM 0 HD3 ARG A 52 -2.942 11.047 6.216 1.00 1.22 H new ATOM 0 HE ARG A 52 -1.647 10.382 8.352 1.00 1.50 H new ATOM 0 HH11 ARG A 52 -2.437 13.724 7.485 1.00 2.00 H new ATOM 0 HH12 ARG A 52 -2.466 14.266 9.166 1.00 2.00 H new ATOM 0 HH21 ARG A 52 -1.697 11.093 10.491 1.00 2.61 H new ATOM 0 HH22 ARG A 52 -2.050 12.785 10.857 1.00 2.61 H new ATOM 874 N GLU A 53 -2.434 9.682 3.110 1.00 0.64 N ATOM 875 CA GLU A 53 -3.707 9.912 2.432 1.00 0.68 C ATOM 876 C GLU A 53 -3.959 8.827 1.385 1.00 0.65 C ATOM 877 O GLU A 53 -5.071 8.685 0.874 1.00 0.78 O ATOM 878 CB GLU A 53 -3.739 11.299 1.780 1.00 0.72 C ATOM 879 CG GLU A 53 -2.750 11.470 0.641 1.00 0.67 C ATOM 880 CD GLU A 53 -2.901 12.804 -0.064 1.00 0.81 C ATOM 881 OE1 GLU A 53 -2.295 13.800 0.392 1.00 1.26 O ATOM 882 OE2 GLU A 53 -3.629 12.865 -1.076 1.00 1.35 O ATOM 0 H GLU A 53 -1.690 10.331 2.853 1.00 0.64 H new ATOM 0 HA GLU A 53 -4.500 9.869 3.179 1.00 0.68 H new ATOM 0 HB2 GLU A 53 -4.745 11.490 1.406 1.00 0.72 H new ATOM 0 HB3 GLU A 53 -3.534 12.052 2.541 1.00 0.72 H new ATOM 0 HG2 GLU A 53 -1.735 11.380 1.029 1.00 0.67 H new ATOM 0 HG3 GLU A 53 -2.888 10.664 -0.080 1.00 0.67 H new ATOM 889 N GLN A 54 -2.918 8.058 1.078 1.00 0.57 N ATOM 890 CA GLN A 54 -3.020 6.978 0.104 1.00 0.58 C ATOM 891 C GLN A 54 -3.037 5.629 0.814 1.00 0.57 C ATOM 892 O GLN A 54 -3.103 4.577 0.177 1.00 0.60 O ATOM 893 CB GLN A 54 -1.852 7.031 -0.885 1.00 0.57 C ATOM 894 CG GLN A 54 -1.778 8.321 -1.687 1.00 0.64 C ATOM 895 CD GLN A 54 -2.935 8.482 -2.654 1.00 0.81 C ATOM 896 OE1 GLN A 54 -2.865 8.050 -3.803 1.00 1.13 O ATOM 897 NE2 GLN A 54 -4.006 9.111 -2.197 1.00 0.96 N ATOM 0 H GLN A 54 -1.992 8.164 1.492 1.00 0.57 H new ATOM 0 HA GLN A 54 -3.951 7.102 -0.449 1.00 0.58 H new ATOM 0 HB2 GLN A 54 -0.919 6.902 -0.336 1.00 0.57 H new ATOM 0 HB3 GLN A 54 -1.935 6.191 -1.575 1.00 0.57 H new ATOM 0 HG2 GLN A 54 -1.763 9.169 -1.002 1.00 0.64 H new ATOM 0 HG3 GLN A 54 -0.841 8.344 -2.243 1.00 0.64 H new ATOM 0 HE21 GLN A 54 -4.025 9.455 -1.237 1.00 0.96 H new ATOM 0 HE22 GLN A 54 -4.813 9.252 -2.805 1.00 0.96 H new ATOM 906 N ALA A 55 -2.981 5.663 2.142 1.00 0.58 N ATOM 907 CA ALA A 55 -2.986 4.440 2.932 1.00 0.60 C ATOM 908 C ALA A 55 -4.332 3.731 2.820 1.00 0.61 C ATOM 909 O ALA A 55 -5.376 4.302 3.138 1.00 0.68 O ATOM 910 CB ALA A 55 -2.658 4.740 4.386 1.00 0.65 C ATOM 0 H ALA A 55 -2.932 6.522 2.690 1.00 0.58 H new ATOM 0 HA ALA A 55 -2.217 3.776 2.537 1.00 0.60 H new ATOM 0 HB1 ALA A 55 -2.667 3.813 4.960 1.00 0.65 H new ATOM 0 HB2 ALA A 55 -1.670 5.197 4.449 1.00 0.65 H new ATOM 0 HB3 ALA A 55 -3.401 5.425 4.793 1.00 0.65 H new ATOM 916 N GLY A 56 -4.299 2.486 2.367 1.00 0.59 N ATOM 917 CA GLY A 56 -5.519 1.723 2.202 1.00 0.64 C ATOM 918 C GLY A 56 -6.118 1.917 0.825 1.00 0.62 C ATOM 919 O GLY A 56 -7.225 1.456 0.548 1.00 0.66 O ATOM 0 H GLY A 56 -3.446 1.989 2.110 1.00 0.59 H new ATOM 0 HA2 GLY A 56 -5.311 0.665 2.363 1.00 0.64 H new ATOM 0 HA3 GLY A 56 -6.242 2.025 2.960 1.00 0.64 H new ATOM 923 N GLY A 57 -5.377 2.596 -0.040 1.00 0.63 N ATOM 924 CA GLY A 57 -5.841 2.844 -1.385 1.00 0.65 C ATOM 925 C GLY A 57 -4.755 2.601 -2.416 1.00 0.59 C ATOM 926 O GLY A 57 -3.584 2.435 -2.063 1.00 0.55 O ATOM 0 H GLY A 57 -4.456 2.981 0.171 1.00 0.63 H new ATOM 0 HA2 GLY A 57 -6.694 2.200 -1.599 1.00 0.65 H new ATOM 0 HA3 GLY A 57 -6.191 3.873 -1.463 1.00 0.65 H new ATOM 930 N ASP A 58 -5.143 2.579 -3.683 1.00 0.65 N ATOM 931 CA ASP A 58 -4.204 2.352 -4.778 1.00 0.62 C ATOM 932 C ASP A 58 -3.580 3.667 -5.227 1.00 0.61 C ATOM 933 O ASP A 58 -4.285 4.586 -5.649 1.00 0.71 O ATOM 934 CB ASP A 58 -4.922 1.678 -5.950 1.00 0.69 C ATOM 935 CG ASP A 58 -4.018 1.435 -7.142 1.00 0.99 C ATOM 936 OD1 ASP A 58 -2.811 1.186 -6.949 1.00 1.32 O ATOM 937 OD2 ASP A 58 -4.524 1.488 -8.287 1.00 1.51 O ATOM 0 H ASP A 58 -6.108 2.716 -3.982 1.00 0.65 H new ATOM 0 HA ASP A 58 -3.408 1.696 -4.426 1.00 0.62 H new ATOM 0 HB2 ASP A 58 -5.336 0.727 -5.616 1.00 0.69 H new ATOM 0 HB3 ASP A 58 -5.762 2.300 -6.260 1.00 0.69 H new ATOM 942 N ALA A 59 -2.258 3.760 -5.131 1.00 0.55 N ATOM 943 CA ALA A 59 -1.551 4.973 -5.522 1.00 0.57 C ATOM 944 C ALA A 59 -0.616 4.719 -6.697 1.00 0.54 C ATOM 945 O ALA A 59 0.325 5.483 -6.934 1.00 0.54 O ATOM 946 CB ALA A 59 -0.779 5.547 -4.346 1.00 0.60 C ATOM 0 H ALA A 59 -1.656 3.012 -4.787 1.00 0.55 H new ATOM 0 HA ALA A 59 -2.297 5.701 -5.839 1.00 0.57 H new ATOM 0 HB1 ALA A 59 -0.258 6.452 -4.659 1.00 0.60 H new ATOM 0 HB2 ALA A 59 -1.471 5.787 -3.539 1.00 0.60 H new ATOM 0 HB3 ALA A 59 -0.053 4.814 -3.995 1.00 0.60 H new ATOM 952 N THR A 60 -0.877 3.648 -7.433 1.00 0.56 N ATOM 953 CA THR A 60 -0.068 3.300 -8.596 1.00 0.57 C ATOM 954 C THR A 60 -0.065 4.441 -9.615 1.00 0.57 C ATOM 955 O THR A 60 0.945 4.700 -10.272 1.00 0.58 O ATOM 956 CB THR A 60 -0.576 2.003 -9.261 1.00 0.64 C ATOM 957 OG1 THR A 60 -0.643 0.958 -8.281 1.00 0.67 O ATOM 958 CG2 THR A 60 0.337 1.566 -10.398 1.00 0.71 C ATOM 0 H THR A 60 -1.644 3.003 -7.246 1.00 0.56 H new ATOM 0 HA THR A 60 0.952 3.133 -8.249 1.00 0.57 H new ATOM 0 HB THR A 60 -1.566 2.200 -9.673 1.00 0.64 H new ATOM 0 HG1 THR A 60 -1.567 0.860 -7.970 1.00 0.67 H new ATOM 0 HG21 THR A 60 -0.050 0.650 -10.844 1.00 0.71 H new ATOM 0 HG22 THR A 60 0.376 2.349 -11.155 1.00 0.71 H new ATOM 0 HG23 THR A 60 1.340 1.385 -10.011 1.00 0.71 H new ATOM 966 N GLU A 61 -1.193 5.141 -9.706 1.00 0.62 N ATOM 967 CA GLU A 61 -1.347 6.262 -10.625 1.00 0.67 C ATOM 968 C GLU A 61 -0.319 7.356 -10.345 1.00 0.63 C ATOM 969 O GLU A 61 0.202 7.979 -11.269 1.00 0.74 O ATOM 970 CB GLU A 61 -2.761 6.839 -10.513 1.00 0.78 C ATOM 971 CG GLU A 61 -3.156 7.226 -9.094 1.00 0.83 C ATOM 972 CD GLU A 61 -4.568 7.762 -9.012 1.00 1.06 C ATOM 973 OE1 GLU A 61 -4.777 8.947 -9.350 1.00 1.64 O ATOM 974 OE2 GLU A 61 -5.476 7.008 -8.610 1.00 1.48 O ATOM 0 H GLU A 61 -2.023 4.947 -9.146 1.00 0.62 H new ATOM 0 HA GLU A 61 -1.182 5.892 -11.637 1.00 0.67 H new ATOM 0 HB2 GLU A 61 -2.837 7.718 -11.154 1.00 0.78 H new ATOM 0 HB3 GLU A 61 -3.474 6.106 -10.892 1.00 0.78 H new ATOM 0 HG2 GLU A 61 -3.063 6.356 -8.444 1.00 0.83 H new ATOM 0 HG3 GLU A 61 -2.463 7.979 -8.720 1.00 0.83 H new ATOM 981 N ASN A 62 -0.028 7.573 -9.066 1.00 0.56 N ATOM 982 CA ASN A 62 0.934 8.592 -8.653 1.00 0.55 C ATOM 983 C ASN A 62 2.359 8.066 -8.784 1.00 0.50 C ATOM 984 O ASN A 62 3.269 8.798 -9.168 1.00 0.50 O ATOM 985 CB ASN A 62 0.672 9.030 -7.205 1.00 0.58 C ATOM 986 CG ASN A 62 -0.621 9.809 -7.046 1.00 0.82 C ATOM 987 OD1 ASN A 62 -1.005 10.592 -7.915 1.00 1.28 O ATOM 988 ND2 ASN A 62 -1.308 9.596 -5.932 1.00 1.32 N ATOM 0 H ASN A 62 -0.446 7.055 -8.294 1.00 0.56 H new ATOM 0 HA ASN A 62 0.814 9.455 -9.308 1.00 0.55 H new ATOM 0 HB2 ASN A 62 0.640 8.148 -6.565 1.00 0.58 H new ATOM 0 HB3 ASN A 62 1.504 9.644 -6.861 1.00 0.58 H new ATOM 0 HD21 ASN A 62 -2.187 10.089 -5.773 1.00 1.32 H new ATOM 0 HD22 ASN A 62 -0.958 8.939 -5.235 1.00 1.32 H new ATOM 995 N PHE A 63 2.536 6.789 -8.473 1.00 0.48 N ATOM 996 CA PHE A 63 3.841 6.142 -8.544 1.00 0.46 C ATOM 997 C PHE A 63 4.429 6.248 -9.951 1.00 0.49 C ATOM 998 O PHE A 63 5.574 6.675 -10.127 1.00 0.50 O ATOM 999 CB PHE A 63 3.707 4.674 -8.137 1.00 0.48 C ATOM 1000 CG PHE A 63 5.001 4.019 -7.747 1.00 0.51 C ATOM 1001 CD1 PHE A 63 5.492 4.144 -6.456 1.00 0.63 C ATOM 1002 CD2 PHE A 63 5.717 3.272 -8.667 1.00 0.70 C ATOM 1003 CE1 PHE A 63 6.676 3.538 -6.092 1.00 0.76 C ATOM 1004 CE2 PHE A 63 6.903 2.662 -8.308 1.00 0.77 C ATOM 1005 CZ PHE A 63 7.384 2.795 -7.019 1.00 0.73 C ATOM 0 H PHE A 63 1.783 6.174 -8.165 1.00 0.48 H new ATOM 0 HA PHE A 63 4.519 6.649 -7.857 1.00 0.46 H new ATOM 0 HB2 PHE A 63 3.011 4.603 -7.301 1.00 0.48 H new ATOM 0 HB3 PHE A 63 3.267 4.118 -8.965 1.00 0.48 H new ATOM 0 HD1 PHE A 63 4.941 4.722 -5.728 1.00 0.63 H new ATOM 0 HD2 PHE A 63 5.344 3.165 -9.675 1.00 0.70 H new ATOM 0 HE1 PHE A 63 7.050 3.643 -5.084 1.00 0.76 H new ATOM 0 HE2 PHE A 63 7.454 2.082 -9.033 1.00 0.77 H new ATOM 0 HZ PHE A 63 8.311 2.319 -6.736 1.00 0.73 H new ATOM 1015 N GLU A 64 3.625 5.882 -10.944 1.00 0.53 N ATOM 1016 CA GLU A 64 4.053 5.917 -12.338 1.00 0.58 C ATOM 1017 C GLU A 64 4.139 7.352 -12.848 1.00 0.57 C ATOM 1018 O GLU A 64 4.961 7.663 -13.709 1.00 0.65 O ATOM 1019 CB GLU A 64 3.074 5.126 -13.207 1.00 0.69 C ATOM 1020 CG GLU A 64 2.777 3.728 -12.687 1.00 1.08 C ATOM 1021 CD GLU A 64 3.935 2.771 -12.872 1.00 1.47 C ATOM 1022 OE1 GLU A 64 4.208 2.380 -14.029 1.00 1.89 O ATOM 1023 OE2 GLU A 64 4.564 2.391 -11.864 1.00 1.88 O ATOM 0 H GLU A 64 2.668 5.556 -10.808 1.00 0.53 H new ATOM 0 HA GLU A 64 5.043 5.466 -12.398 1.00 0.58 H new ATOM 0 HB2 GLU A 64 2.139 5.681 -13.281 1.00 0.69 H new ATOM 0 HB3 GLU A 64 3.480 5.049 -14.216 1.00 0.69 H new ATOM 0 HG2 GLU A 64 2.526 3.786 -11.628 1.00 1.08 H new ATOM 0 HG3 GLU A 64 1.901 3.333 -13.201 1.00 1.08 H new ATOM 1030 N ASP A 65 3.287 8.217 -12.307 1.00 0.54 N ATOM 1031 CA ASP A 65 3.248 9.620 -12.708 1.00 0.55 C ATOM 1032 C ASP A 65 4.567 10.318 -12.408 1.00 0.53 C ATOM 1033 O ASP A 65 5.136 10.992 -13.269 1.00 0.58 O ATOM 1034 CB ASP A 65 2.103 10.347 -11.996 1.00 0.57 C ATOM 1035 CG ASP A 65 2.127 11.845 -12.225 1.00 0.69 C ATOM 1036 OD1 ASP A 65 1.741 12.290 -13.327 1.00 0.88 O ATOM 1037 OD2 ASP A 65 2.537 12.587 -11.308 1.00 0.79 O ATOM 0 H ASP A 65 2.610 7.969 -11.585 1.00 0.54 H new ATOM 0 HA ASP A 65 3.080 9.652 -13.785 1.00 0.55 H new ATOM 0 HB2 ASP A 65 1.151 9.946 -12.345 1.00 0.57 H new ATOM 0 HB3 ASP A 65 2.161 10.146 -10.926 1.00 0.57 H new ATOM 1042 N VAL A 66 5.058 10.143 -11.190 1.00 0.50 N ATOM 1043 CA VAL A 66 6.306 10.765 -10.778 1.00 0.52 C ATOM 1044 C VAL A 66 7.506 10.049 -11.390 1.00 0.50 C ATOM 1045 O VAL A 66 8.349 10.674 -12.034 1.00 0.55 O ATOM 1046 CB VAL A 66 6.458 10.770 -9.245 1.00 0.56 C ATOM 1047 CG1 VAL A 66 7.713 11.522 -8.832 1.00 0.67 C ATOM 1048 CG2 VAL A 66 5.231 11.370 -8.577 1.00 0.60 C ATOM 0 H VAL A 66 4.611 9.575 -10.470 1.00 0.50 H new ATOM 0 HA VAL A 66 6.275 11.794 -11.136 1.00 0.52 H new ATOM 0 HB VAL A 66 6.552 9.736 -8.913 1.00 0.56 H new ATOM 0 HG11 VAL A 66 7.801 11.514 -7.746 1.00 0.67 H new ATOM 0 HG12 VAL A 66 8.587 11.040 -9.271 1.00 0.67 H new ATOM 0 HG13 VAL A 66 7.652 12.552 -9.183 1.00 0.67 H new ATOM 0 HG21 VAL A 66 5.365 11.361 -7.495 1.00 0.60 H new ATOM 0 HG22 VAL A 66 5.097 12.397 -8.918 1.00 0.60 H new ATOM 0 HG23 VAL A 66 4.351 10.783 -8.838 1.00 0.60 H new ATOM 1058 N GLY A 67 7.563 8.735 -11.210 1.00 0.50 N ATOM 1059 CA GLY A 67 8.675 7.965 -11.733 1.00 0.54 C ATOM 1060 C GLY A 67 9.774 7.822 -10.701 1.00 0.54 C ATOM 1061 O GLY A 67 10.462 8.790 -10.377 1.00 0.82 O ATOM 0 H GLY A 67 6.860 8.190 -10.712 1.00 0.50 H new ATOM 0 HA2 GLY A 67 8.327 6.978 -12.037 1.00 0.54 H new ATOM 0 HA3 GLY A 67 9.071 8.452 -12.625 1.00 0.54 H new ATOM 1065 N HIS A 68 9.941 6.616 -10.183 1.00 0.45 N ATOM 1066 CA HIS A 68 10.953 6.354 -9.165 1.00 0.42 C ATOM 1067 C HIS A 68 12.244 5.836 -9.784 1.00 0.47 C ATOM 1068 O HIS A 68 12.296 5.529 -10.975 1.00 0.58 O ATOM 1069 CB HIS A 68 10.418 5.358 -8.135 1.00 0.39 C ATOM 1070 CG HIS A 68 9.488 5.975 -7.138 1.00 0.36 C ATOM 1071 ND1 HIS A 68 8.260 6.515 -7.458 1.00 0.35 N ATOM 1072 CD2 HIS A 68 9.633 6.144 -5.800 1.00 0.41 C ATOM 1073 CE1 HIS A 68 7.713 6.989 -6.331 1.00 0.35 C ATOM 1074 NE2 HIS A 68 8.507 6.790 -5.298 1.00 0.40 N ATOM 0 H HIS A 68 9.390 5.800 -10.449 1.00 0.45 H new ATOM 0 HA HIS A 68 11.180 7.296 -8.665 1.00 0.42 H new ATOM 0 HB2 HIS A 68 9.899 4.553 -8.655 1.00 0.39 H new ATOM 0 HB3 HIS A 68 11.258 4.907 -7.607 1.00 0.39 H new ATOM 0 HD2 HIS A 68 10.486 5.828 -5.217 1.00 0.41 H new ATOM 0 HE1 HIS A 68 6.748 7.471 -6.276 1.00 0.35 H new ATOM 0 HE2 HIS A 68 8.332 7.055 -4.329 1.00 0.40 H new ATOM 1082 N SER A 69 13.288 5.746 -8.969 1.00 0.45 N ATOM 1083 CA SER A 69 14.585 5.281 -9.429 1.00 0.50 C ATOM 1084 C SER A 69 14.664 3.757 -9.408 1.00 0.50 C ATOM 1085 O SER A 69 13.822 3.087 -8.798 1.00 0.46 O ATOM 1086 CB SER A 69 15.680 5.868 -8.541 1.00 0.55 C ATOM 1087 OG SER A 69 15.457 5.534 -7.181 1.00 1.01 O ATOM 0 H SER A 69 13.258 5.992 -7.979 1.00 0.45 H new ATOM 0 HA SER A 69 14.725 5.613 -10.458 1.00 0.50 H new ATOM 0 HB2 SER A 69 16.653 5.492 -8.858 1.00 0.55 H new ATOM 0 HB3 SER A 69 15.705 6.952 -8.655 1.00 0.55 H new ATOM 0 HG SER A 69 16.170 5.918 -6.629 1.00 1.01 H new ATOM 1093 N THR A 70 15.684 3.217 -10.068 1.00 0.59 N ATOM 1094 CA THR A 70 15.899 1.778 -10.117 1.00 0.64 C ATOM 1095 C THR A 70 16.241 1.233 -8.733 1.00 0.61 C ATOM 1096 O THR A 70 16.125 0.035 -8.470 1.00 0.66 O ATOM 1097 CB THR A 70 17.036 1.431 -11.092 1.00 0.78 C ATOM 1098 OG1 THR A 70 17.308 2.562 -11.930 1.00 0.89 O ATOM 1099 CG2 THR A 70 16.671 0.232 -11.952 1.00 1.08 C ATOM 0 H THR A 70 16.379 3.761 -10.580 1.00 0.59 H new ATOM 0 HA THR A 70 14.974 1.318 -10.464 1.00 0.64 H new ATOM 0 HB THR A 70 17.923 1.177 -10.512 1.00 0.78 H new ATOM 0 HG1 THR A 70 18.034 2.342 -12.551 1.00 0.89 H new ATOM 0 HG21 THR A 70 17.493 0.009 -12.632 1.00 1.08 H new ATOM 0 HG22 THR A 70 16.484 -0.631 -11.313 1.00 1.08 H new ATOM 0 HG23 THR A 70 15.774 0.457 -12.529 1.00 1.08 H new ATOM 1107 N ASP A 71 16.664 2.124 -7.846 1.00 0.60 N ATOM 1108 CA ASP A 71 17.011 1.744 -6.487 1.00 0.61 C ATOM 1109 C ASP A 71 15.754 1.718 -5.622 1.00 0.54 C ATOM 1110 O ASP A 71 15.517 0.768 -4.878 1.00 0.56 O ATOM 1111 CB ASP A 71 18.026 2.729 -5.900 1.00 0.70 C ATOM 1112 CG ASP A 71 18.797 2.154 -4.729 1.00 0.97 C ATOM 1113 OD1 ASP A 71 18.164 1.711 -3.749 1.00 1.38 O ATOM 1114 OD2 ASP A 71 20.047 2.150 -4.782 1.00 1.29 O ATOM 0 H ASP A 71 16.775 3.118 -8.046 1.00 0.60 H new ATOM 0 HA ASP A 71 17.458 0.750 -6.504 1.00 0.61 H new ATOM 0 HB2 ASP A 71 18.728 3.027 -6.679 1.00 0.70 H new ATOM 0 HB3 ASP A 71 17.505 3.631 -5.578 1.00 0.70 H new ATOM 1119 N ALA A 72 14.932 2.753 -5.766 1.00 0.48 N ATOM 1120 CA ALA A 72 13.696 2.877 -5.000 1.00 0.44 C ATOM 1121 C ALA A 72 12.779 1.670 -5.189 1.00 0.42 C ATOM 1122 O ALA A 72 12.196 1.171 -4.227 1.00 0.43 O ATOM 1123 CB ALA A 72 12.964 4.150 -5.386 1.00 0.47 C ATOM 0 H ALA A 72 15.102 3.524 -6.412 1.00 0.48 H new ATOM 0 HA ALA A 72 13.971 2.920 -3.946 1.00 0.44 H new ATOM 0 HB1 ALA A 72 12.044 4.230 -4.807 1.00 0.47 H new ATOM 0 HB2 ALA A 72 13.599 5.012 -5.180 1.00 0.47 H new ATOM 0 HB3 ALA A 72 12.723 4.123 -6.449 1.00 0.47 H new ATOM 1129 N ARG A 73 12.660 1.196 -6.428 1.00 0.44 N ATOM 1130 CA ARG A 73 11.804 0.046 -6.723 1.00 0.48 C ATOM 1131 C ARG A 73 12.296 -1.206 -5.995 1.00 0.49 C ATOM 1132 O ARG A 73 11.498 -2.054 -5.599 1.00 0.56 O ATOM 1133 CB ARG A 73 11.711 -0.201 -8.238 1.00 0.54 C ATOM 1134 CG ARG A 73 13.053 -0.372 -8.927 1.00 0.68 C ATOM 1135 CD ARG A 73 13.304 -1.819 -9.318 1.00 0.74 C ATOM 1136 NE ARG A 73 12.410 -2.268 -10.384 1.00 0.90 N ATOM 1137 CZ ARG A 73 12.309 -3.533 -10.789 1.00 1.08 C ATOM 1138 NH1 ARG A 73 12.975 -4.496 -10.156 1.00 1.08 N ATOM 1139 NH2 ARG A 73 11.511 -3.841 -11.804 1.00 1.36 N ATOM 0 H ARG A 73 13.141 1.586 -7.239 1.00 0.44 H new ATOM 0 HA ARG A 73 10.802 0.275 -6.359 1.00 0.48 H new ATOM 0 HB2 ARG A 73 11.110 -1.093 -8.413 1.00 0.54 H new ATOM 0 HB3 ARG A 73 11.183 0.634 -8.699 1.00 0.54 H new ATOM 0 HG2 ARG A 73 13.088 0.257 -9.817 1.00 0.68 H new ATOM 0 HG3 ARG A 73 13.848 -0.031 -8.264 1.00 0.68 H new ATOM 0 HD2 ARG A 73 14.338 -1.931 -9.643 1.00 0.74 H new ATOM 0 HD3 ARG A 73 13.173 -2.457 -8.444 1.00 0.74 H new ATOM 0 HE ARG A 73 11.828 -1.570 -10.846 1.00 0.90 H new ATOM 0 HH11 ARG A 73 13.566 -4.267 -9.357 1.00 1.08 H new ATOM 0 HH12 ARG A 73 12.894 -5.463 -10.470 1.00 1.08 H new ATOM 0 HH21 ARG A 73 10.976 -3.110 -12.273 1.00 1.36 H new ATOM 0 HH22 ARG A 73 11.432 -4.809 -12.115 1.00 1.36 H new ATOM 1153 N GLU A 74 13.606 -1.302 -5.794 1.00 0.47 N ATOM 1154 CA GLU A 74 14.186 -2.443 -5.099 1.00 0.51 C ATOM 1155 C GLU A 74 14.010 -2.278 -3.594 1.00 0.49 C ATOM 1156 O GLU A 74 13.712 -3.236 -2.882 1.00 0.55 O ATOM 1157 CB GLU A 74 15.669 -2.584 -5.443 1.00 0.57 C ATOM 1158 CG GLU A 74 15.925 -2.974 -6.886 1.00 0.65 C ATOM 1159 CD GLU A 74 15.323 -4.316 -7.246 1.00 0.75 C ATOM 1160 OE1 GLU A 74 15.971 -5.353 -6.991 1.00 1.01 O ATOM 1161 OE2 GLU A 74 14.208 -4.341 -7.802 1.00 0.84 O ATOM 0 H GLU A 74 14.284 -0.605 -6.102 1.00 0.47 H new ATOM 0 HA GLU A 74 13.670 -3.347 -5.422 1.00 0.51 H new ATOM 0 HB2 GLU A 74 16.172 -1.640 -5.236 1.00 0.57 H new ATOM 0 HB3 GLU A 74 16.115 -3.333 -4.789 1.00 0.57 H new ATOM 0 HG2 GLU A 74 15.513 -2.208 -7.543 1.00 0.65 H new ATOM 0 HG3 GLU A 74 17.000 -3.003 -7.065 1.00 0.65 H new ATOM 1168 N LEU A 75 14.184 -1.048 -3.123 1.00 0.47 N ATOM 1169 CA LEU A 75 14.029 -0.728 -1.706 1.00 0.48 C ATOM 1170 C LEU A 75 12.597 -1.010 -1.247 1.00 0.43 C ATOM 1171 O LEU A 75 12.356 -1.360 -0.092 1.00 0.44 O ATOM 1172 CB LEU A 75 14.383 0.744 -1.463 1.00 0.53 C ATOM 1173 CG LEU A 75 14.104 1.271 -0.050 1.00 0.56 C ATOM 1174 CD1 LEU A 75 15.046 0.631 0.962 1.00 0.65 C ATOM 1175 CD2 LEU A 75 14.235 2.787 -0.018 1.00 0.61 C ATOM 0 H LEU A 75 14.434 -0.249 -3.706 1.00 0.47 H new ATOM 0 HA LEU A 75 14.706 -1.357 -1.128 1.00 0.48 H new ATOM 0 HB2 LEU A 75 15.442 0.885 -1.681 1.00 0.53 H new ATOM 0 HB3 LEU A 75 13.827 1.354 -2.175 1.00 0.53 H new ATOM 0 HG LEU A 75 13.083 1.003 0.222 1.00 0.56 H new ATOM 0 HD11 LEU A 75 14.830 1.020 1.957 1.00 0.65 H new ATOM 0 HD12 LEU A 75 14.906 -0.450 0.956 1.00 0.65 H new ATOM 0 HD13 LEU A 75 16.077 0.865 0.698 1.00 0.65 H new ATOM 0 HD21 LEU A 75 14.034 3.148 0.991 1.00 0.61 H new ATOM 0 HD22 LEU A 75 15.246 3.071 -0.311 1.00 0.61 H new ATOM 0 HD23 LEU A 75 13.519 3.229 -0.711 1.00 0.61 H new ATOM 1187 N SER A 76 11.655 -0.875 -2.171 1.00 0.45 N ATOM 1188 CA SER A 76 10.248 -1.109 -1.877 1.00 0.46 C ATOM 1189 C SER A 76 9.975 -2.593 -1.608 1.00 0.43 C ATOM 1190 O SER A 76 8.966 -2.950 -0.996 1.00 0.45 O ATOM 1191 CB SER A 76 9.383 -0.612 -3.040 1.00 0.55 C ATOM 1192 OG SER A 76 9.657 0.750 -3.330 1.00 0.82 O ATOM 0 H SER A 76 11.842 -0.603 -3.136 1.00 0.45 H new ATOM 0 HA SER A 76 9.991 -0.554 -0.975 1.00 0.46 H new ATOM 0 HB2 SER A 76 9.571 -1.221 -3.924 1.00 0.55 H new ATOM 0 HB3 SER A 76 8.329 -0.730 -2.790 1.00 0.55 H new ATOM 0 HG SER A 76 10.533 0.822 -3.764 1.00 0.82 H new ATOM 1198 N LYS A 77 10.902 -3.450 -2.022 1.00 0.45 N ATOM 1199 CA LYS A 77 10.752 -4.893 -1.845 1.00 0.51 C ATOM 1200 C LYS A 77 10.929 -5.317 -0.386 1.00 0.47 C ATOM 1201 O LYS A 77 10.809 -6.498 -0.059 1.00 0.56 O ATOM 1202 CB LYS A 77 11.748 -5.641 -2.727 1.00 0.63 C ATOM 1203 CG LYS A 77 11.094 -6.633 -3.672 1.00 0.94 C ATOM 1204 CD LYS A 77 12.126 -7.331 -4.541 1.00 1.20 C ATOM 1205 CE LYS A 77 11.479 -8.342 -5.473 1.00 1.60 C ATOM 1206 NZ LYS A 77 12.488 -9.086 -6.269 1.00 1.89 N ATOM 0 H LYS A 77 11.768 -3.171 -2.484 1.00 0.45 H new ATOM 0 HA LYS A 77 9.735 -5.150 -2.142 1.00 0.51 H new ATOM 0 HB2 LYS A 77 12.319 -4.918 -3.310 1.00 0.63 H new ATOM 0 HB3 LYS A 77 12.458 -6.170 -2.091 1.00 0.63 H new ATOM 0 HG2 LYS A 77 10.539 -7.374 -3.097 1.00 0.94 H new ATOM 0 HG3 LYS A 77 10.373 -6.115 -4.305 1.00 0.94 H new ATOM 0 HD2 LYS A 77 12.670 -6.590 -5.127 1.00 1.20 H new ATOM 0 HD3 LYS A 77 12.856 -7.834 -3.907 1.00 1.20 H new ATOM 0 HE2 LYS A 77 10.886 -9.046 -4.889 1.00 1.60 H new ATOM 0 HE3 LYS A 77 10.793 -7.828 -6.146 1.00 1.60 H new ATOM 0 HZ1 LYS A 77 12.006 -9.765 -6.892 1.00 1.89 H new ATOM 0 HZ2 LYS A 77 13.037 -8.417 -6.845 1.00 1.89 H new ATOM 0 HZ3 LYS A 77 13.128 -9.597 -5.628 1.00 1.89 H new ATOM 1220 N THR A 78 11.223 -4.369 0.489 1.00 0.42 N ATOM 1221 CA THR A 78 11.389 -4.684 1.897 1.00 0.48 C ATOM 1222 C THR A 78 10.140 -4.283 2.687 1.00 0.43 C ATOM 1223 O THR A 78 9.986 -4.634 3.856 1.00 0.53 O ATOM 1224 CB THR A 78 12.650 -4.007 2.492 1.00 0.59 C ATOM 1225 OG1 THR A 78 13.083 -4.710 3.662 1.00 0.84 O ATOM 1226 CG2 THR A 78 12.397 -2.548 2.848 1.00 0.63 C ATOM 0 H THR A 78 11.350 -3.385 0.252 1.00 0.42 H new ATOM 0 HA THR A 78 11.526 -5.762 1.979 1.00 0.48 H new ATOM 0 HB THR A 78 13.426 -4.042 1.728 1.00 0.59 H new ATOM 0 HG1 THR A 78 12.303 -4.969 4.195 1.00 0.84 H new ATOM 0 HG21 THR A 78 13.306 -2.111 3.262 1.00 0.63 H new ATOM 0 HG22 THR A 78 12.107 -2.000 1.952 1.00 0.63 H new ATOM 0 HG23 THR A 78 11.597 -2.487 3.586 1.00 0.63 H new ATOM 1234 N PHE A 79 9.235 -3.568 2.023 1.00 0.36 N ATOM 1235 CA PHE A 79 8.003 -3.112 2.655 1.00 0.38 C ATOM 1236 C PHE A 79 6.818 -3.962 2.208 1.00 0.32 C ATOM 1237 O PHE A 79 5.708 -3.823 2.722 1.00 0.33 O ATOM 1238 CB PHE A 79 7.737 -1.642 2.316 1.00 0.46 C ATOM 1239 CG PHE A 79 8.832 -0.709 2.752 1.00 0.51 C ATOM 1240 CD1 PHE A 79 9.174 -0.596 4.089 1.00 1.10 C ATOM 1241 CD2 PHE A 79 9.517 0.057 1.823 1.00 0.96 C ATOM 1242 CE1 PHE A 79 10.182 0.258 4.492 1.00 1.16 C ATOM 1243 CE2 PHE A 79 10.526 0.914 2.219 1.00 1.01 C ATOM 1244 CZ PHE A 79 10.859 1.014 3.555 1.00 0.70 C ATOM 0 H PHE A 79 9.333 -3.292 1.046 1.00 0.36 H new ATOM 0 HA PHE A 79 8.123 -3.214 3.734 1.00 0.38 H new ATOM 0 HB2 PHE A 79 7.599 -1.547 1.239 1.00 0.46 H new ATOM 0 HB3 PHE A 79 6.803 -1.334 2.785 1.00 0.46 H new ATOM 0 HD1 PHE A 79 8.646 -1.183 4.826 1.00 1.10 H new ATOM 0 HD2 PHE A 79 9.259 -0.017 0.777 1.00 0.96 H new ATOM 0 HE1 PHE A 79 10.440 0.334 5.538 1.00 1.16 H new ATOM 0 HE2 PHE A 79 11.053 1.505 1.484 1.00 1.01 H new ATOM 0 HZ PHE A 79 11.648 1.682 3.867 1.00 0.70 H new ATOM 1254 N ILE A 80 7.059 -4.837 1.242 1.00 0.38 N ATOM 1255 CA ILE A 80 6.012 -5.703 0.718 1.00 0.36 C ATOM 1256 C ILE A 80 5.628 -6.779 1.732 1.00 0.33 C ATOM 1257 O ILE A 80 6.481 -7.521 2.225 1.00 0.42 O ATOM 1258 CB ILE A 80 6.441 -6.361 -0.619 1.00 0.46 C ATOM 1259 CG1 ILE A 80 5.349 -7.297 -1.148 1.00 0.46 C ATOM 1260 CG2 ILE A 80 7.755 -7.111 -0.462 1.00 0.58 C ATOM 1261 CD1 ILE A 80 4.277 -6.591 -1.950 1.00 0.72 C ATOM 0 H ILE A 80 7.971 -4.966 0.805 1.00 0.38 H new ATOM 0 HA ILE A 80 5.140 -5.077 0.529 1.00 0.36 H new ATOM 0 HB ILE A 80 6.588 -5.563 -1.347 1.00 0.46 H new ATOM 0 HG12 ILE A 80 5.810 -8.063 -1.771 1.00 0.46 H new ATOM 0 HG13 ILE A 80 4.882 -7.809 -0.306 1.00 0.46 H new ATOM 0 HG21 ILE A 80 8.032 -7.563 -1.415 1.00 0.58 H new ATOM 0 HG22 ILE A 80 8.535 -6.417 -0.149 1.00 0.58 H new ATOM 0 HG23 ILE A 80 7.641 -7.892 0.290 1.00 0.58 H new ATOM 0 HD11 ILE A 80 3.540 -7.318 -2.291 1.00 0.72 H new ATOM 0 HD12 ILE A 80 3.788 -5.844 -1.325 1.00 0.72 H new ATOM 0 HD13 ILE A 80 4.730 -6.102 -2.812 1.00 0.72 H new ATOM 1273 N ILE A 81 4.349 -6.832 2.076 1.00 0.28 N ATOM 1274 CA ILE A 81 3.861 -7.829 3.022 1.00 0.32 C ATOM 1275 C ILE A 81 2.739 -8.658 2.410 1.00 0.29 C ATOM 1276 O ILE A 81 2.356 -9.699 2.948 1.00 0.31 O ATOM 1277 CB ILE A 81 3.363 -7.208 4.354 1.00 0.42 C ATOM 1278 CG1 ILE A 81 2.120 -6.327 4.130 1.00 0.50 C ATOM 1279 CG2 ILE A 81 4.479 -6.420 5.031 1.00 0.43 C ATOM 1280 CD1 ILE A 81 2.426 -4.887 3.772 1.00 0.77 C ATOM 0 H ILE A 81 3.633 -6.201 1.717 1.00 0.28 H new ATOM 0 HA ILE A 81 4.715 -8.467 3.249 1.00 0.32 H new ATOM 0 HB ILE A 81 3.072 -8.023 5.017 1.00 0.42 H new ATOM 0 HG12 ILE A 81 1.518 -6.766 3.334 1.00 0.50 H new ATOM 0 HG13 ILE A 81 1.512 -6.342 5.035 1.00 0.50 H new ATOM 0 HG21 ILE A 81 4.109 -5.993 5.963 1.00 0.43 H new ATOM 0 HG22 ILE A 81 5.316 -7.085 5.244 1.00 0.43 H new ATOM 0 HG23 ILE A 81 4.811 -5.618 4.371 1.00 0.43 H new ATOM 0 HD11 ILE A 81 1.493 -4.341 3.632 1.00 0.77 H new ATOM 0 HD12 ILE A 81 3.000 -4.426 4.576 1.00 0.77 H new ATOM 0 HD13 ILE A 81 3.006 -4.857 2.849 1.00 0.77 H new ATOM 1292 N GLY A 82 2.217 -8.205 1.277 1.00 0.32 N ATOM 1293 CA GLY A 82 1.144 -8.929 0.637 1.00 0.35 C ATOM 1294 C GLY A 82 0.744 -8.352 -0.703 1.00 0.31 C ATOM 1295 O GLY A 82 1.283 -7.338 -1.140 1.00 0.34 O ATOM 0 H GLY A 82 2.516 -7.357 0.796 1.00 0.32 H new ATOM 0 HA2 GLY A 82 1.447 -9.967 0.501 1.00 0.35 H new ATOM 0 HA3 GLY A 82 0.276 -8.934 1.296 1.00 0.35 H new ATOM 1299 N GLU A 83 -0.211 -9.005 -1.349 1.00 0.30 N ATOM 1300 CA GLU A 83 -0.709 -8.576 -2.645 1.00 0.31 C ATOM 1301 C GLU A 83 -2.233 -8.577 -2.643 1.00 0.32 C ATOM 1302 O GLU A 83 -2.857 -9.137 -1.740 1.00 0.34 O ATOM 1303 CB GLU A 83 -0.198 -9.502 -3.750 1.00 0.37 C ATOM 1304 CG GLU A 83 0.930 -8.918 -4.584 1.00 0.61 C ATOM 1305 CD GLU A 83 0.970 -9.504 -5.980 1.00 0.54 C ATOM 1306 OE1 GLU A 83 0.461 -10.631 -6.170 1.00 0.86 O ATOM 1307 OE2 GLU A 83 1.494 -8.842 -6.900 1.00 0.72 O ATOM 0 H GLU A 83 -0.661 -9.846 -0.989 1.00 0.30 H new ATOM 0 HA GLU A 83 -0.347 -7.566 -2.836 1.00 0.31 H new ATOM 0 HB2 GLU A 83 0.144 -10.433 -3.298 1.00 0.37 H new ATOM 0 HB3 GLU A 83 -1.029 -9.754 -4.409 1.00 0.37 H new ATOM 0 HG2 GLU A 83 0.810 -7.837 -4.649 1.00 0.61 H new ATOM 0 HG3 GLU A 83 1.882 -9.104 -4.086 1.00 0.61 H new ATOM 1314 N LEU A 84 -2.823 -7.957 -3.657 1.00 0.38 N ATOM 1315 CA LEU A 84 -4.274 -7.891 -3.774 1.00 0.44 C ATOM 1316 C LEU A 84 -4.838 -9.210 -4.290 1.00 0.40 C ATOM 1317 O LEU A 84 -4.182 -9.919 -5.055 1.00 0.39 O ATOM 1318 CB LEU A 84 -4.680 -6.755 -4.714 1.00 0.52 C ATOM 1319 CG LEU A 84 -5.102 -5.454 -4.025 1.00 0.49 C ATOM 1320 CD1 LEU A 84 -3.922 -4.809 -3.316 1.00 0.92 C ATOM 1321 CD2 LEU A 84 -5.706 -4.494 -5.036 1.00 0.87 C ATOM 0 H LEU A 84 -2.318 -7.492 -4.411 1.00 0.38 H new ATOM 0 HA LEU A 84 -4.684 -7.700 -2.782 1.00 0.44 H new ATOM 0 HB2 LEU A 84 -3.844 -6.540 -5.379 1.00 0.52 H new ATOM 0 HB3 LEU A 84 -5.504 -7.100 -5.339 1.00 0.52 H new ATOM 0 HG LEU A 84 -5.857 -5.692 -3.276 1.00 0.49 H new ATOM 0 HD11 LEU A 84 -4.247 -3.887 -2.834 1.00 0.92 H new ATOM 0 HD12 LEU A 84 -3.531 -5.494 -2.563 1.00 0.92 H new ATOM 0 HD13 LEU A 84 -3.140 -4.584 -4.042 1.00 0.92 H new ATOM 0 HD21 LEU A 84 -6.001 -3.574 -4.532 1.00 0.87 H new ATOM 0 HD22 LEU A 84 -4.969 -4.266 -5.806 1.00 0.87 H new ATOM 0 HD23 LEU A 84 -6.581 -4.953 -5.496 1.00 0.87 H new ATOM 1333 N HIS A 85 -6.055 -9.526 -3.873 1.00 0.45 N ATOM 1334 CA HIS A 85 -6.717 -10.756 -4.295 1.00 0.48 C ATOM 1335 C HIS A 85 -7.005 -10.709 -5.794 1.00 0.42 C ATOM 1336 O HIS A 85 -7.302 -9.647 -6.332 1.00 0.39 O ATOM 1337 CB HIS A 85 -8.022 -10.953 -3.510 1.00 0.61 C ATOM 1338 CG HIS A 85 -7.822 -11.449 -2.106 1.00 0.52 C ATOM 1339 ND1 HIS A 85 -8.839 -11.986 -1.343 1.00 1.22 N ATOM 1340 CD2 HIS A 85 -6.715 -11.487 -1.325 1.00 0.80 C ATOM 1341 CE1 HIS A 85 -8.368 -12.329 -0.159 1.00 1.48 C ATOM 1342 NE2 HIS A 85 -7.084 -12.038 -0.122 1.00 1.10 N ATOM 0 H HIS A 85 -6.607 -8.947 -3.241 1.00 0.45 H new ATOM 0 HA HIS A 85 -6.056 -11.598 -4.090 1.00 0.48 H new ATOM 0 HB2 HIS A 85 -8.560 -10.006 -3.476 1.00 0.61 H new ATOM 0 HB3 HIS A 85 -8.654 -11.660 -4.047 1.00 0.61 H new ATOM 0 HD2 HIS A 85 -5.727 -11.147 -1.598 1.00 0.80 H new ATOM 0 HE1 HIS A 85 -8.938 -12.773 0.643 1.00 1.48 H new ATOM 0 HE2 HIS A 85 -6.464 -12.196 0.672 1.00 1.10 H new ATOM 1351 N PRO A 86 -6.907 -11.859 -6.489 1.00 0.45 N ATOM 1352 CA PRO A 86 -7.148 -11.940 -7.938 1.00 0.44 C ATOM 1353 C PRO A 86 -8.528 -11.422 -8.337 1.00 0.40 C ATOM 1354 O PRO A 86 -8.683 -10.756 -9.362 1.00 0.42 O ATOM 1355 CB PRO A 86 -7.030 -13.440 -8.250 1.00 0.53 C ATOM 1356 CG PRO A 86 -7.118 -14.132 -6.932 1.00 0.57 C ATOM 1357 CD PRO A 86 -6.552 -13.174 -5.925 1.00 0.53 C ATOM 0 HA PRO A 86 -6.442 -11.321 -8.492 1.00 0.44 H new ATOM 0 HB2 PRO A 86 -7.828 -13.765 -8.918 1.00 0.53 H new ATOM 0 HB3 PRO A 86 -6.087 -13.664 -8.748 1.00 0.53 H new ATOM 0 HG2 PRO A 86 -8.151 -14.385 -6.692 1.00 0.57 H new ATOM 0 HG3 PRO A 86 -6.555 -15.065 -6.943 1.00 0.57 H new ATOM 0 HD2 PRO A 86 -6.988 -13.321 -4.937 1.00 0.53 H new ATOM 0 HD3 PRO A 86 -5.474 -13.290 -5.818 1.00 0.53 H new ATOM 1365 N ASP A 87 -9.524 -11.722 -7.513 1.00 0.41 N ATOM 1366 CA ASP A 87 -10.895 -11.296 -7.770 1.00 0.43 C ATOM 1367 C ASP A 87 -10.997 -9.779 -7.802 1.00 0.41 C ATOM 1368 O ASP A 87 -11.650 -9.212 -8.672 1.00 0.47 O ATOM 1369 CB ASP A 87 -11.833 -11.855 -6.702 1.00 0.55 C ATOM 1370 CG ASP A 87 -12.004 -13.354 -6.813 1.00 0.94 C ATOM 1371 OD1 ASP A 87 -12.703 -13.810 -7.741 1.00 1.30 O ATOM 1372 OD2 ASP A 87 -11.443 -14.088 -5.971 1.00 1.28 O ATOM 0 H ASP A 87 -9.407 -12.262 -6.656 1.00 0.41 H new ATOM 0 HA ASP A 87 -11.190 -11.683 -8.745 1.00 0.43 H new ATOM 0 HB2 ASP A 87 -11.443 -11.609 -5.714 1.00 0.55 H new ATOM 0 HB3 ASP A 87 -12.807 -11.373 -6.789 1.00 0.55 H new ATOM 1377 N ASP A 88 -10.321 -9.126 -6.868 1.00 0.42 N ATOM 1378 CA ASP A 88 -10.337 -7.670 -6.786 1.00 0.50 C ATOM 1379 C ASP A 88 -9.204 -7.071 -7.610 1.00 0.49 C ATOM 1380 O ASP A 88 -8.871 -5.896 -7.466 1.00 0.64 O ATOM 1381 CB ASP A 88 -10.194 -7.214 -5.332 1.00 0.60 C ATOM 1382 CG ASP A 88 -11.462 -7.376 -4.523 1.00 0.89 C ATOM 1383 OD1 ASP A 88 -12.392 -6.566 -4.700 1.00 1.22 O ATOM 1384 OD2 ASP A 88 -11.524 -8.305 -3.685 1.00 1.20 O ATOM 0 H ASP A 88 -9.753 -9.581 -6.154 1.00 0.42 H new ATOM 0 HA ASP A 88 -11.291 -7.324 -7.183 1.00 0.50 H new ATOM 0 HB2 ASP A 88 -9.394 -7.783 -4.858 1.00 0.60 H new ATOM 0 HB3 ASP A 88 -9.893 -6.167 -5.316 1.00 0.60 H new ATOM 1389 N ARG A 89 -8.609 -7.883 -8.471 1.00 0.44 N ATOM 1390 CA ARG A 89 -7.503 -7.430 -9.294 1.00 0.51 C ATOM 1391 C ARG A 89 -7.905 -7.290 -10.757 1.00 0.57 C ATOM 1392 O ARG A 89 -7.783 -6.214 -11.338 1.00 0.80 O ATOM 1393 CB ARG A 89 -6.329 -8.404 -9.168 1.00 0.56 C ATOM 1394 CG ARG A 89 -5.033 -7.879 -9.755 1.00 0.89 C ATOM 1395 CD ARG A 89 -3.954 -8.949 -9.753 1.00 0.88 C ATOM 1396 NE ARG A 89 -3.584 -9.366 -8.402 1.00 0.60 N ATOM 1397 CZ ARG A 89 -2.340 -9.667 -8.029 1.00 0.59 C ATOM 1398 NH1 ARG A 89 -1.332 -9.574 -8.892 1.00 0.77 N ATOM 1399 NH2 ARG A 89 -2.100 -10.056 -6.786 1.00 0.81 N ATOM 0 H ARG A 89 -8.875 -8.857 -8.616 1.00 0.44 H new ATOM 0 HA ARG A 89 -7.205 -6.444 -8.936 1.00 0.51 H new ATOM 0 HB2 ARG A 89 -6.172 -8.635 -8.114 1.00 0.56 H new ATOM 0 HB3 ARG A 89 -6.590 -9.339 -9.664 1.00 0.56 H new ATOM 0 HG2 ARG A 89 -5.206 -7.535 -10.775 1.00 0.89 H new ATOM 0 HG3 ARG A 89 -4.694 -7.016 -9.181 1.00 0.89 H new ATOM 0 HD2 ARG A 89 -4.304 -9.815 -10.314 1.00 0.88 H new ATOM 0 HD3 ARG A 89 -3.071 -8.571 -10.268 1.00 0.88 H new ATOM 0 HE ARG A 89 -4.323 -9.431 -7.702 1.00 0.60 H new ATOM 0 HH11 ARG A 89 -1.507 -9.270 -9.850 1.00 0.77 H new ATOM 0 HH12 ARG A 89 -0.384 -9.807 -8.596 1.00 0.77 H new ATOM 0 HH21 ARG A 89 -2.866 -10.125 -6.116 1.00 0.81 H new ATOM 0 HH22 ARG A 89 -1.149 -10.287 -6.498 1.00 0.81 H new ATOM 1413 N SER A 90 -8.386 -8.372 -11.353 1.00 0.50 N ATOM 1414 CA SER A 90 -8.765 -8.348 -12.762 1.00 0.59 C ATOM 1415 C SER A 90 -10.255 -8.614 -12.988 1.00 0.57 C ATOM 1416 O SER A 90 -10.750 -8.450 -14.103 1.00 0.88 O ATOM 1417 CB SER A 90 -7.931 -9.379 -13.517 1.00 0.71 C ATOM 1418 OG SER A 90 -7.395 -10.345 -12.623 1.00 1.16 O ATOM 0 H SER A 90 -8.523 -9.270 -10.890 1.00 0.50 H new ATOM 0 HA SER A 90 -8.571 -7.343 -13.137 1.00 0.59 H new ATOM 0 HB2 SER A 90 -8.548 -9.874 -14.267 1.00 0.71 H new ATOM 0 HB3 SER A 90 -7.121 -8.880 -14.049 1.00 0.71 H new ATOM 0 HG SER A 90 -6.865 -10.998 -13.126 1.00 1.16 H new ATOM 1424 N LYS A 91 -10.972 -9.011 -11.948 1.00 0.52 N ATOM 1425 CA LYS A 91 -12.396 -9.302 -12.089 1.00 0.49 C ATOM 1426 C LYS A 91 -13.252 -8.119 -11.643 1.00 0.51 C ATOM 1427 O LYS A 91 -14.073 -7.617 -12.413 1.00 0.59 O ATOM 1428 CB LYS A 91 -12.760 -10.560 -11.298 1.00 0.47 C ATOM 1429 CG LYS A 91 -12.008 -11.801 -11.757 1.00 1.02 C ATOM 1430 CD LYS A 91 -12.503 -13.051 -11.049 1.00 1.09 C ATOM 1431 CE LYS A 91 -11.680 -14.273 -11.427 1.00 1.24 C ATOM 1432 NZ LYS A 91 -11.755 -14.580 -12.882 1.00 1.76 N ATOM 0 H LYS A 91 -10.600 -9.139 -11.007 1.00 0.52 H new ATOM 0 HA LYS A 91 -12.602 -9.479 -13.145 1.00 0.49 H new ATOM 0 HB2 LYS A 91 -12.553 -10.389 -10.242 1.00 0.47 H new ATOM 0 HB3 LYS A 91 -13.831 -10.739 -11.388 1.00 0.47 H new ATOM 0 HG2 LYS A 91 -12.127 -11.921 -12.834 1.00 1.02 H new ATOM 0 HG3 LYS A 91 -10.943 -11.672 -11.566 1.00 1.02 H new ATOM 0 HD2 LYS A 91 -12.458 -12.901 -9.970 1.00 1.09 H new ATOM 0 HD3 LYS A 91 -13.549 -13.223 -11.303 1.00 1.09 H new ATOM 0 HE2 LYS A 91 -10.640 -14.108 -11.146 1.00 1.24 H new ATOM 0 HE3 LYS A 91 -12.031 -15.134 -10.858 1.00 1.24 H new ATOM 0 HZ1 LYS A 91 -11.278 -15.484 -13.071 1.00 1.76 H new ATOM 0 HZ2 LYS A 91 -12.752 -14.647 -13.172 1.00 1.76 H new ATOM 0 HZ3 LYS A 91 -11.288 -13.823 -13.421 1.00 1.76 H new ATOM 1446 N LEU A 92 -13.055 -7.687 -10.395 1.00 0.48 N ATOM 1447 CA LEU A 92 -13.792 -6.553 -9.818 1.00 0.55 C ATOM 1448 C LEU A 92 -15.272 -6.889 -9.645 1.00 0.58 C ATOM 1449 O LEU A 92 -16.122 -5.999 -9.590 1.00 0.72 O ATOM 1450 CB LEU A 92 -13.637 -5.292 -10.685 1.00 0.65 C ATOM 1451 CG LEU A 92 -12.423 -4.410 -10.370 1.00 0.78 C ATOM 1452 CD1 LEU A 92 -12.415 -4.007 -8.903 1.00 0.96 C ATOM 1453 CD2 LEU A 92 -11.125 -5.119 -10.735 1.00 0.90 C ATOM 0 H LEU A 92 -12.383 -8.110 -9.755 1.00 0.48 H new ATOM 0 HA LEU A 92 -13.364 -6.353 -8.836 1.00 0.55 H new ATOM 0 HB2 LEU A 92 -13.579 -5.597 -11.730 1.00 0.65 H new ATOM 0 HB3 LEU A 92 -14.538 -4.688 -10.579 1.00 0.65 H new ATOM 0 HG LEU A 92 -12.499 -3.506 -10.975 1.00 0.78 H new ATOM 0 HD11 LEU A 92 -11.545 -3.382 -8.702 1.00 0.96 H new ATOM 0 HD12 LEU A 92 -13.323 -3.450 -8.674 1.00 0.96 H new ATOM 0 HD13 LEU A 92 -12.371 -4.901 -8.280 1.00 0.96 H new ATOM 0 HD21 LEU A 92 -10.279 -4.472 -10.502 1.00 0.90 H new ATOM 0 HD22 LEU A 92 -11.043 -6.044 -10.164 1.00 0.90 H new ATOM 0 HD23 LEU A 92 -11.123 -5.349 -11.800 1.00 0.90 H new ATOM 1465 N SER A 93 -15.573 -8.176 -9.532 1.00 0.52 N ATOM 1466 CA SER A 93 -16.941 -8.641 -9.368 1.00 0.57 C ATOM 1467 C SER A 93 -17.385 -8.548 -7.906 1.00 0.58 C ATOM 1468 O SER A 93 -17.742 -9.552 -7.287 1.00 0.70 O ATOM 1469 CB SER A 93 -17.041 -10.082 -9.869 1.00 0.62 C ATOM 1470 OG SER A 93 -15.763 -10.701 -9.881 1.00 0.70 O ATOM 0 H SER A 93 -14.878 -8.923 -9.551 1.00 0.52 H new ATOM 0 HA SER A 93 -17.605 -8.003 -9.952 1.00 0.57 H new ATOM 0 HB2 SER A 93 -17.718 -10.648 -9.230 1.00 0.62 H new ATOM 0 HB3 SER A 93 -17.466 -10.094 -10.873 1.00 0.62 H new ATOM 0 HG SER A 93 -15.849 -11.623 -10.203 1.00 0.70 H new ATOM 1476 N LYS A 94 -17.363 -7.335 -7.363 1.00 0.57 N ATOM 1477 CA LYS A 94 -17.757 -7.102 -5.981 1.00 0.60 C ATOM 1478 C LYS A 94 -18.474 -5.760 -5.849 1.00 0.71 C ATOM 1479 O LYS A 94 -18.144 -4.805 -6.554 1.00 0.82 O ATOM 1480 CB LYS A 94 -16.531 -7.142 -5.058 1.00 0.56 C ATOM 1481 CG LYS A 94 -16.230 -8.530 -4.500 1.00 0.73 C ATOM 1482 CD LYS A 94 -14.871 -8.581 -3.821 1.00 0.75 C ATOM 1483 CE LYS A 94 -14.862 -7.803 -2.514 1.00 0.85 C ATOM 1484 NZ LYS A 94 -13.483 -7.441 -2.097 1.00 0.93 N ATOM 0 H LYS A 94 -17.074 -6.495 -7.864 1.00 0.57 H new ATOM 0 HA LYS A 94 -18.443 -7.894 -5.682 1.00 0.60 H new ATOM 0 HB2 LYS A 94 -15.661 -6.785 -5.608 1.00 0.56 H new ATOM 0 HB3 LYS A 94 -16.689 -6.453 -4.229 1.00 0.56 H new ATOM 0 HG2 LYS A 94 -17.004 -8.811 -3.786 1.00 0.73 H new ATOM 0 HG3 LYS A 94 -16.261 -9.261 -5.308 1.00 0.73 H new ATOM 0 HD2 LYS A 94 -14.600 -9.619 -3.628 1.00 0.75 H new ATOM 0 HD3 LYS A 94 -14.114 -8.174 -4.492 1.00 0.75 H new ATOM 0 HE2 LYS A 94 -15.457 -6.897 -2.626 1.00 0.85 H new ATOM 0 HE3 LYS A 94 -15.333 -8.399 -1.733 1.00 0.85 H new ATOM 0 HZ1 LYS A 94 -13.414 -7.474 -1.060 1.00 0.93 H new ATOM 0 HZ2 LYS A 94 -12.807 -8.114 -2.511 1.00 0.93 H new ATOM 0 HZ3 LYS A 94 -13.261 -6.480 -2.428 1.00 0.93 H new ATOM 1498 N PRO A 95 -19.471 -5.681 -4.954 1.00 0.78 N ATOM 1499 CA PRO A 95 -20.243 -4.452 -4.725 1.00 0.92 C ATOM 1500 C PRO A 95 -19.454 -3.387 -3.964 1.00 0.95 C ATOM 1501 O PRO A 95 -18.250 -3.529 -3.739 1.00 1.03 O ATOM 1502 CB PRO A 95 -21.432 -4.941 -3.892 1.00 1.04 C ATOM 1503 CG PRO A 95 -20.930 -6.147 -3.180 1.00 1.05 C ATOM 1504 CD PRO A 95 -19.937 -6.794 -4.104 1.00 0.84 C ATOM 0 HA PRO A 95 -20.523 -3.968 -5.660 1.00 0.92 H new ATOM 0 HB2 PRO A 95 -21.763 -4.176 -3.189 1.00 1.04 H new ATOM 0 HB3 PRO A 95 -22.285 -5.183 -4.525 1.00 1.04 H new ATOM 0 HG2 PRO A 95 -20.462 -5.874 -2.234 1.00 1.05 H new ATOM 0 HG3 PRO A 95 -21.747 -6.830 -2.946 1.00 1.05 H new ATOM 0 HD2 PRO A 95 -19.114 -7.248 -3.552 1.00 0.84 H new ATOM 0 HD3 PRO A 95 -20.398 -7.584 -4.697 1.00 0.84 H new ATOM 1512 N MET A 96 -20.138 -2.320 -3.575 1.00 1.06 N ATOM 1513 CA MET A 96 -19.509 -1.230 -2.841 1.00 1.14 C ATOM 1514 C MET A 96 -20.392 -0.780 -1.681 1.00 1.16 C ATOM 1515 O MET A 96 -19.939 -0.747 -0.537 1.00 1.25 O ATOM 1516 CB MET A 96 -19.227 -0.054 -3.779 1.00 1.31 C ATOM 1517 CG MET A 96 -18.379 1.040 -3.149 1.00 1.38 C ATOM 1518 SD MET A 96 -17.457 1.993 -4.369 1.00 1.63 S ATOM 1519 CE MET A 96 -18.786 2.592 -5.410 1.00 1.94 C ATOM 0 H MET A 96 -21.133 -2.185 -3.756 1.00 1.06 H new ATOM 0 HA MET A 96 -18.564 -1.590 -2.434 1.00 1.14 H new ATOM 0 HB2 MET A 96 -18.722 -0.425 -4.671 1.00 1.31 H new ATOM 0 HB3 MET A 96 -20.175 0.375 -4.105 1.00 1.31 H new ATOM 0 HG2 MET A 96 -19.023 1.711 -2.580 1.00 1.38 H new ATOM 0 HG3 MET A 96 -17.682 0.592 -2.441 1.00 1.38 H new ATOM 0 HE1 MET A 96 -18.405 3.364 -6.079 1.00 1.94 H new ATOM 0 HE2 MET A 96 -19.187 1.767 -5.999 1.00 1.94 H new ATOM 0 HE3 MET A 96 -19.576 3.010 -4.787 1.00 1.94 H new ATOM 1529 N GLU A 97 -21.648 -0.447 -1.990 1.00 1.14 N ATOM 1530 CA GLU A 97 -22.623 -0.002 -0.990 1.00 1.22 C ATOM 1531 C GLU A 97 -22.148 1.251 -0.248 1.00 1.29 C ATOM 1532 O GLU A 97 -21.500 1.164 0.799 1.00 1.36 O ATOM 1533 CB GLU A 97 -22.931 -1.122 0.008 1.00 1.28 C ATOM 1534 CG GLU A 97 -24.148 -0.847 0.874 1.00 1.50 C ATOM 1535 CD GLU A 97 -24.435 -1.968 1.847 1.00 1.97 C ATOM 1536 OE1 GLU A 97 -24.557 -3.130 1.403 1.00 2.57 O ATOM 1537 OE2 GLU A 97 -24.548 -1.697 3.059 1.00 2.38 O ATOM 0 H GLU A 97 -22.018 -0.478 -2.940 1.00 1.14 H new ATOM 0 HA GLU A 97 -23.537 0.254 -1.526 1.00 1.22 H new ATOM 0 HB2 GLU A 97 -23.087 -2.052 -0.539 1.00 1.28 H new ATOM 0 HB3 GLU A 97 -22.064 -1.273 0.651 1.00 1.28 H new ATOM 0 HG2 GLU A 97 -23.993 0.079 1.428 1.00 1.50 H new ATOM 0 HG3 GLU A 97 -25.017 -0.695 0.234 1.00 1.50 H new ATOM 1544 N THR A 98 -22.476 2.412 -0.796 1.00 1.31 N ATOM 1545 CA THR A 98 -22.094 3.680 -0.194 1.00 1.40 C ATOM 1546 C THR A 98 -23.124 4.764 -0.530 1.00 1.39 C ATOM 1547 O THR A 98 -23.972 4.561 -1.402 1.00 1.35 O ATOM 1548 CB THR A 98 -20.687 4.123 -0.663 1.00 1.43 C ATOM 1549 OG1 THR A 98 -20.225 5.227 0.125 1.00 1.57 O ATOM 1550 CG2 THR A 98 -20.689 4.511 -2.138 1.00 1.37 C ATOM 0 H THR A 98 -23.009 2.501 -1.661 1.00 1.31 H new ATOM 0 HA THR A 98 -22.064 3.539 0.886 1.00 1.40 H new ATOM 0 HB THR A 98 -20.013 3.276 -0.532 1.00 1.43 H new ATOM 0 HG1 THR A 98 -19.334 5.497 -0.180 1.00 1.57 H new ATOM 0 HG21 THR A 98 -19.686 4.817 -2.435 1.00 1.37 H new ATOM 0 HG22 THR A 98 -21.000 3.656 -2.739 1.00 1.37 H new ATOM 0 HG23 THR A 98 -21.382 5.337 -2.296 1.00 1.37 H new ATOM 1558 N LEU A 99 -23.043 5.899 0.175 1.00 1.46 N ATOM 1559 CA LEU A 99 -23.952 7.031 -0.027 1.00 1.48 C ATOM 1560 C LEU A 99 -25.382 6.654 0.351 1.00 1.52 C ATOM 1561 O LEU A 99 -26.338 7.000 -0.347 1.00 1.53 O ATOM 1562 CB LEU A 99 -23.891 7.533 -1.477 1.00 1.43 C ATOM 1563 CG LEU A 99 -22.518 8.025 -1.934 1.00 1.48 C ATOM 1564 CD1 LEU A 99 -22.537 8.356 -3.417 1.00 1.49 C ATOM 1565 CD2 LEU A 99 -22.085 9.239 -1.127 1.00 1.61 C ATOM 0 H LEU A 99 -22.345 6.057 0.902 1.00 1.46 H new ATOM 0 HA LEU A 99 -23.628 7.841 0.627 1.00 1.48 H new ATOM 0 HB2 LEU A 99 -24.210 6.727 -2.138 1.00 1.43 H new ATOM 0 HB3 LEU A 99 -24.609 8.345 -1.595 1.00 1.43 H new ATOM 0 HG LEU A 99 -21.797 7.225 -1.766 1.00 1.48 H new ATOM 0 HD11 LEU A 99 -21.551 8.705 -3.725 1.00 1.49 H new ATOM 0 HD12 LEU A 99 -22.800 7.464 -3.986 1.00 1.49 H new ATOM 0 HD13 LEU A 99 -23.273 9.137 -3.606 1.00 1.49 H new ATOM 0 HD21 LEU A 99 -21.105 9.573 -1.469 1.00 1.61 H new ATOM 0 HD22 LEU A 99 -22.809 10.042 -1.262 1.00 1.61 H new ATOM 0 HD23 LEU A 99 -22.030 8.973 -0.071 1.00 1.61 H new ATOM 1577 N ILE A 100 -25.517 5.953 1.471 1.00 1.60 N ATOM 1578 CA ILE A 100 -26.824 5.517 1.953 1.00 1.68 C ATOM 1579 C ILE A 100 -27.125 6.092 3.332 1.00 1.72 C ATOM 1580 O ILE A 100 -28.091 5.694 3.979 1.00 1.83 O ATOM 1581 CB ILE A 100 -26.910 3.979 2.033 1.00 1.82 C ATOM 1582 CG1 ILE A 100 -25.695 3.417 2.781 1.00 1.79 C ATOM 1583 CG2 ILE A 100 -27.010 3.378 0.637 1.00 1.83 C ATOM 1584 CD1 ILE A 100 -25.816 1.947 3.125 1.00 1.79 C ATOM 0 H ILE A 100 -24.736 5.673 2.064 1.00 1.60 H new ATOM 0 HA ILE A 100 -27.559 5.884 1.236 1.00 1.68 H new ATOM 0 HB ILE A 100 -27.810 3.708 2.586 1.00 1.82 H new ATOM 0 HG12 ILE A 100 -24.804 3.566 2.171 1.00 1.79 H new ATOM 0 HG13 ILE A 100 -25.551 3.985 3.700 1.00 1.79 H new ATOM 0 HG21 ILE A 100 -27.070 2.292 0.712 1.00 1.83 H new ATOM 0 HG22 ILE A 100 -27.903 3.757 0.141 1.00 1.83 H new ATOM 0 HG23 ILE A 100 -26.129 3.654 0.058 1.00 1.83 H new ATOM 0 HD11 ILE A 100 -24.919 1.622 3.652 1.00 1.79 H new ATOM 0 HD12 ILE A 100 -26.687 1.793 3.761 1.00 1.79 H new ATOM 0 HD13 ILE A 100 -25.929 1.367 2.209 1.00 1.79 H new ATOM 1596 N THR A 101 -26.302 7.028 3.780 1.00 1.73 N ATOM 1597 CA THR A 101 -26.494 7.638 5.088 1.00 1.77 C ATOM 1598 C THR A 101 -26.212 9.140 5.056 1.00 1.85 C ATOM 1599 O THR A 101 -25.116 9.567 4.684 1.00 1.80 O ATOM 1600 CB THR A 101 -25.587 6.972 6.142 1.00 1.70 C ATOM 1601 OG1 THR A 101 -24.523 6.253 5.492 1.00 1.85 O ATOM 1602 CG2 THR A 101 -26.385 6.022 7.024 1.00 1.98 C ATOM 0 H THR A 101 -25.498 7.381 3.260 1.00 1.73 H new ATOM 0 HA THR A 101 -27.538 7.486 5.360 1.00 1.77 H new ATOM 0 HB THR A 101 -25.164 7.755 6.771 1.00 1.70 H new ATOM 0 HG1 THR A 101 -23.950 5.834 6.168 1.00 1.85 H new ATOM 0 HG21 THR A 101 -25.723 5.565 7.759 1.00 1.98 H new ATOM 0 HG22 THR A 101 -27.170 6.576 7.538 1.00 1.98 H new ATOM 0 HG23 THR A 101 -26.834 5.244 6.407 1.00 1.98 H new ATOM 1610 N THR A 102 -27.210 9.934 5.431 1.00 2.05 N ATOM 1611 CA THR A 102 -27.075 11.383 5.456 1.00 2.18 C ATOM 1612 C THR A 102 -26.148 11.824 6.582 1.00 2.11 C ATOM 1613 O THR A 102 -26.412 11.559 7.760 1.00 2.23 O ATOM 1614 CB THR A 102 -28.447 12.054 5.639 1.00 2.58 C ATOM 1615 OG1 THR A 102 -29.440 11.058 5.915 1.00 2.89 O ATOM 1616 CG2 THR A 102 -28.838 12.840 4.397 1.00 2.72 C ATOM 0 H THR A 102 -28.126 9.594 5.723 1.00 2.05 H new ATOM 0 HA THR A 102 -26.648 11.689 4.501 1.00 2.18 H new ATOM 0 HB THR A 102 -28.382 12.747 6.478 1.00 2.58 H new ATOM 0 HG1 THR A 102 -30.312 11.489 6.033 1.00 2.89 H new ATOM 0 HG21 THR A 102 -29.812 13.305 4.552 1.00 2.72 H new ATOM 0 HG22 THR A 102 -28.093 13.613 4.206 1.00 2.72 H new ATOM 0 HG23 THR A 102 -28.889 12.167 3.541 1.00 2.72 H new ATOM 1624 N VAL A 103 -25.054 12.474 6.214 1.00 2.05 N ATOM 1625 CA VAL A 103 -24.078 12.952 7.183 1.00 2.08 C ATOM 1626 C VAL A 103 -23.555 14.330 6.786 1.00 2.14 C ATOM 1627 O VAL A 103 -22.398 14.679 7.045 1.00 2.25 O ATOM 1628 CB VAL A 103 -22.893 11.973 7.319 1.00 1.94 C ATOM 1629 CG1 VAL A 103 -23.307 10.728 8.088 1.00 2.09 C ATOM 1630 CG2 VAL A 103 -22.342 11.600 5.950 1.00 1.94 C ATOM 0 H VAL A 103 -24.819 12.684 5.244 1.00 2.05 H new ATOM 0 HA VAL A 103 -24.584 13.021 8.146 1.00 2.08 H new ATOM 0 HB VAL A 103 -22.103 12.473 7.880 1.00 1.94 H new ATOM 0 HG11 VAL A 103 -22.456 10.052 8.172 1.00 2.09 H new ATOM 0 HG12 VAL A 103 -23.645 11.012 9.085 1.00 2.09 H new ATOM 0 HG13 VAL A 103 -24.118 10.227 7.559 1.00 2.09 H new ATOM 0 HG21 VAL A 103 -21.507 10.909 6.070 1.00 1.94 H new ATOM 0 HG22 VAL A 103 -23.125 11.124 5.360 1.00 1.94 H new ATOM 0 HG23 VAL A 103 -21.998 12.499 5.439 1.00 1.94 H new ATOM 1640 N ASP A 104 -24.419 15.110 6.155 1.00 2.18 N ATOM 1641 CA ASP A 104 -24.063 16.452 5.711 1.00 2.30 C ATOM 1642 C ASP A 104 -25.144 17.447 6.113 1.00 2.65 C ATOM 1643 O ASP A 104 -24.863 18.659 6.118 1.00 2.86 O ATOM 1644 CB ASP A 104 -23.849 16.481 4.190 1.00 2.32 C ATOM 1645 CG ASP A 104 -25.149 16.533 3.403 1.00 2.40 C ATOM 1646 OD1 ASP A 104 -25.904 15.538 3.424 1.00 2.54 O ATOM 1647 OD2 ASP A 104 -25.410 17.568 2.751 1.00 2.82 O ATOM 0 H ASP A 104 -25.377 14.836 5.937 1.00 2.18 H new ATOM 0 HA ASP A 104 -23.129 16.737 6.195 1.00 2.30 H new ATOM 0 HB2 ASP A 104 -23.241 17.348 3.932 1.00 2.32 H new ATOM 0 HB3 ASP A 104 -23.286 15.596 3.892 1.00 2.32 H new