USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=30 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 80:sc= 0.166 USER MOD Set 1.2: A 38 THR OG1 : rot -37:sc= 1.03 USER MOD Set 2.1: A 7 LYS NZ :NH3+ -140:sc= 1.27 (180deg=0) USER MOD Set 2.2: A 78 THR OG1 : rot 130:sc= 1.07 USER MOD Single : A 4 GLN : amide:sc=-0.00136 K(o=-0.0014,f=-0.65) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00625) USER MOD Single : A 11 TYR OH : rot -111:sc= 1.24 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0681 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0121) USER MOD Single : A 20 HIS : no HE2:sc= 0.835 K(o=0.83,f=-5.1!) USER MOD Single : A 21 ASN : amide:sc= -0.577 K(o=-0.58,f=-2) USER MOD Single : A 22 HIS : no HD1:sc= -0.0371 K(o=-0.037,f=-1.4) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.172 USER MOD Single : A 31 HIS : no HD1:sc= 1.07 K(o=1.1,f=-4.2!) USER MOD Single : A 32 HIS : no HD1:sc= -0.0433 X(o=-0.043,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 155:sc= 1.27 (180deg=-0.0221) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HE2:sc= -0.391 K(o=-0.39,f=-1.1) USER MOD Single : A 54 GLN : amide:sc= -0.319 K(o=-0.32,f=-0.99) USER MOD Single : A 60 THR OG1 : rot 172:sc= 0.609 USER MOD Single : A 62 ASN : amide:sc= -0.0111 K(o=-0.011,f=-1.2) USER MOD Single : A 68 HIS : no HE2:sc= 0.0129 X(o=0.013,f=-0.12) USER MOD Single : A 69 SER OG : rot 180:sc= 0.111 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0694 USER MOD Single : A 76 SER OG : rot 53:sc= 0.275 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 HIS : no HE2:sc= 1.05 K(o=1,f=-5.8!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0195) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -130:sc= 1.42 (180deg=-1.47!) USER MOD Single : A 96 MET CE :methyl 142:sc= -0.135 (180deg=-0.766) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0131 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.465 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.174 USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 18.424 -12.004 17.015 1.00 0.86 N ATOM 21 CA ALA A 2 17.532 -10.887 16.731 1.00 0.87 C ATOM 22 C ALA A 2 17.679 -10.421 15.286 1.00 0.72 C ATOM 23 O ALA A 2 17.751 -9.222 15.007 1.00 0.87 O ATOM 24 CB ALA A 2 17.807 -9.740 17.694 1.00 1.10 C ATOM 0 HA ALA A 2 16.505 -11.225 16.870 1.00 0.87 H new ATOM 0 HB1 ALA A 2 17.135 -8.911 17.473 1.00 1.10 H new ATOM 0 HB2 ALA A 2 17.643 -10.077 18.718 1.00 1.10 H new ATOM 0 HB3 ALA A 2 18.840 -9.410 17.582 1.00 1.10 H new ATOM 30 N ALA A 3 17.726 -11.375 14.370 1.00 0.71 N ATOM 31 CA ALA A 3 17.859 -11.067 12.956 1.00 0.72 C ATOM 32 C ALA A 3 17.116 -12.090 12.107 1.00 0.70 C ATOM 33 O ALA A 3 17.590 -13.210 11.907 1.00 1.05 O ATOM 34 CB ALA A 3 19.327 -11.009 12.561 1.00 0.96 C ATOM 0 H ALA A 3 17.674 -12.371 14.582 1.00 0.71 H new ATOM 0 HA ALA A 3 17.413 -10.089 12.776 1.00 0.72 H new ATOM 0 HB1 ALA A 3 19.409 -10.777 11.499 1.00 0.96 H new ATOM 0 HB2 ALA A 3 19.830 -10.235 13.141 1.00 0.96 H new ATOM 0 HB3 ALA A 3 19.796 -11.973 12.759 1.00 0.96 H new ATOM 40 N GLN A 4 15.948 -11.706 11.617 1.00 0.66 N ATOM 41 CA GLN A 4 15.134 -12.589 10.794 1.00 0.68 C ATOM 42 C GLN A 4 14.992 -12.010 9.392 1.00 0.66 C ATOM 43 O GLN A 4 15.041 -10.792 9.210 1.00 0.81 O ATOM 44 CB GLN A 4 13.756 -12.789 11.430 1.00 0.83 C ATOM 45 CG GLN A 4 12.964 -11.501 11.572 1.00 0.97 C ATOM 46 CD GLN A 4 11.670 -11.685 12.334 1.00 1.33 C ATOM 47 OE1 GLN A 4 11.587 -12.489 13.266 1.00 1.79 O ATOM 48 NE2 GLN A 4 10.646 -10.952 11.935 1.00 1.63 N ATOM 0 H GLN A 4 15.540 -10.785 11.775 1.00 0.66 H new ATOM 0 HA GLN A 4 15.626 -13.559 10.725 1.00 0.68 H new ATOM 0 HB2 GLN A 4 13.184 -13.494 10.826 1.00 0.83 H new ATOM 0 HB3 GLN A 4 13.880 -13.241 12.414 1.00 0.83 H new ATOM 0 HG2 GLN A 4 13.577 -10.758 12.082 1.00 0.97 H new ATOM 0 HG3 GLN A 4 12.743 -11.106 10.581 1.00 0.97 H new ATOM 0 HE21 GLN A 4 10.758 -10.299 11.160 1.00 1.63 H new ATOM 0 HE22 GLN A 4 9.744 -11.039 12.402 1.00 1.63 H new ATOM 57 N SER A 5 14.835 -12.873 8.400 1.00 0.71 N ATOM 58 CA SER A 5 14.691 -12.428 7.022 1.00 0.76 C ATOM 59 C SER A 5 13.612 -13.239 6.312 1.00 0.73 C ATOM 60 O SER A 5 13.820 -13.763 5.219 1.00 1.11 O ATOM 61 CB SER A 5 16.029 -12.553 6.293 1.00 0.98 C ATOM 62 OG SER A 5 17.070 -11.939 7.039 1.00 1.18 O ATOM 0 H SER A 5 14.804 -13.885 8.523 1.00 0.71 H new ATOM 0 HA SER A 5 14.387 -11.381 7.017 1.00 0.76 H new ATOM 0 HB2 SER A 5 16.263 -13.605 6.132 1.00 0.98 H new ATOM 0 HB3 SER A 5 15.957 -12.088 5.310 1.00 0.98 H new ATOM 0 HG SER A 5 17.917 -12.032 6.556 1.00 1.18 H new ATOM 68 N ASP A 6 12.457 -13.343 6.954 1.00 0.62 N ATOM 69 CA ASP A 6 11.340 -14.088 6.394 1.00 0.68 C ATOM 70 C ASP A 6 10.631 -13.273 5.325 1.00 0.58 C ATOM 71 O ASP A 6 10.222 -12.135 5.568 1.00 0.80 O ATOM 72 CB ASP A 6 10.348 -14.469 7.493 1.00 0.89 C ATOM 73 CG ASP A 6 10.751 -15.728 8.231 1.00 1.54 C ATOM 74 OD1 ASP A 6 11.522 -15.628 9.215 1.00 2.18 O ATOM 75 OD2 ASP A 6 10.293 -16.821 7.839 1.00 1.98 O ATOM 0 H ASP A 6 12.270 -12.921 7.863 1.00 0.62 H new ATOM 0 HA ASP A 6 11.735 -14.996 5.939 1.00 0.68 H new ATOM 0 HB2 ASP A 6 10.265 -13.647 8.204 1.00 0.89 H new ATOM 0 HB3 ASP A 6 9.361 -14.611 7.053 1.00 0.89 H new ATOM 80 N LYS A 7 10.494 -13.852 4.142 1.00 0.54 N ATOM 81 CA LYS A 7 9.832 -13.180 3.034 1.00 0.58 C ATOM 82 C LYS A 7 8.646 -14.003 2.545 1.00 0.53 C ATOM 83 O LYS A 7 8.795 -14.894 1.709 1.00 0.85 O ATOM 84 CB LYS A 7 10.811 -12.935 1.880 1.00 0.81 C ATOM 85 CG LYS A 7 11.929 -11.955 2.207 1.00 1.05 C ATOM 86 CD LYS A 7 11.383 -10.626 2.703 1.00 1.24 C ATOM 87 CE LYS A 7 12.464 -9.560 2.758 1.00 1.58 C ATOM 88 NZ LYS A 7 12.127 -8.476 3.720 1.00 1.91 N ATOM 0 H LYS A 7 10.834 -14.789 3.924 1.00 0.54 H new ATOM 0 HA LYS A 7 9.471 -12.216 3.392 1.00 0.58 H new ATOM 0 HB2 LYS A 7 11.252 -13.887 1.585 1.00 0.81 H new ATOM 0 HB3 LYS A 7 10.255 -12.561 1.020 1.00 0.81 H new ATOM 0 HG2 LYS A 7 12.581 -12.387 2.966 1.00 1.05 H new ATOM 0 HG3 LYS A 7 12.539 -11.789 1.319 1.00 1.05 H new ATOM 0 HD2 LYS A 7 10.579 -10.295 2.046 1.00 1.24 H new ATOM 0 HD3 LYS A 7 10.951 -10.758 3.695 1.00 1.24 H new ATOM 0 HE2 LYS A 7 13.411 -10.018 3.044 1.00 1.58 H new ATOM 0 HE3 LYS A 7 12.604 -9.133 1.765 1.00 1.58 H new ATOM 0 HZ1 LYS A 7 12.403 -7.557 3.318 1.00 1.91 H new ATOM 0 HZ2 LYS A 7 11.103 -8.481 3.904 1.00 1.91 H new ATOM 0 HZ3 LYS A 7 12.639 -8.631 4.612 1.00 1.91 H new ATOM 102 N ASP A 8 7.473 -13.710 3.085 1.00 0.50 N ATOM 103 CA ASP A 8 6.254 -14.410 2.708 1.00 0.54 C ATOM 104 C ASP A 8 5.283 -13.429 2.057 1.00 0.51 C ATOM 105 O ASP A 8 5.510 -12.222 2.091 1.00 0.83 O ATOM 106 CB ASP A 8 5.607 -15.074 3.931 1.00 0.75 C ATOM 107 CG ASP A 8 4.562 -16.103 3.542 1.00 1.00 C ATOM 108 OD1 ASP A 8 4.615 -16.605 2.395 1.00 1.72 O ATOM 109 OD2 ASP A 8 3.691 -16.419 4.377 1.00 1.44 O ATOM 0 H ASP A 8 7.339 -12.986 3.791 1.00 0.50 H new ATOM 0 HA ASP A 8 6.504 -15.194 1.994 1.00 0.54 H new ATOM 0 HB2 ASP A 8 6.379 -15.553 4.533 1.00 0.75 H new ATOM 0 HB3 ASP A 8 5.146 -14.309 4.555 1.00 0.75 H new ATOM 114 N VAL A 9 4.217 -13.941 1.462 1.00 0.39 N ATOM 115 CA VAL A 9 3.237 -13.087 0.806 1.00 0.35 C ATOM 116 C VAL A 9 1.815 -13.449 1.234 1.00 0.33 C ATOM 117 O VAL A 9 1.312 -14.531 0.934 1.00 0.44 O ATOM 118 CB VAL A 9 3.374 -13.157 -0.740 1.00 0.44 C ATOM 119 CG1 VAL A 9 3.325 -14.594 -1.244 1.00 0.55 C ATOM 120 CG2 VAL A 9 2.305 -12.317 -1.423 1.00 0.47 C ATOM 0 H VAL A 9 4.008 -14.938 1.419 1.00 0.39 H new ATOM 0 HA VAL A 9 3.437 -12.062 1.118 1.00 0.35 H new ATOM 0 HB VAL A 9 4.351 -12.746 -0.996 1.00 0.44 H new ATOM 0 HG11 VAL A 9 3.424 -14.602 -2.329 1.00 0.55 H new ATOM 0 HG12 VAL A 9 4.142 -15.163 -0.801 1.00 0.55 H new ATOM 0 HG13 VAL A 9 2.374 -15.046 -0.963 1.00 0.55 H new ATOM 0 HG21 VAL A 9 2.425 -12.385 -2.504 1.00 0.47 H new ATOM 0 HG22 VAL A 9 1.318 -12.686 -1.144 1.00 0.47 H new ATOM 0 HG23 VAL A 9 2.405 -11.277 -1.111 1.00 0.47 H new ATOM 130 N LYS A 10 1.181 -12.547 1.967 1.00 0.30 N ATOM 131 CA LYS A 10 -0.182 -12.761 2.428 1.00 0.34 C ATOM 132 C LYS A 10 -1.159 -12.032 1.516 1.00 0.34 C ATOM 133 O LYS A 10 -0.954 -10.868 1.176 1.00 0.48 O ATOM 134 CB LYS A 10 -0.339 -12.272 3.868 1.00 0.42 C ATOM 135 CG LYS A 10 -1.432 -12.990 4.642 1.00 0.93 C ATOM 136 CD LYS A 10 -1.480 -12.534 6.090 1.00 0.98 C ATOM 137 CE LYS A 10 -2.308 -13.480 6.946 1.00 1.27 C ATOM 138 NZ LYS A 10 -3.729 -13.525 6.517 1.00 1.97 N ATOM 0 H LYS A 10 1.589 -11.658 2.256 1.00 0.30 H new ATOM 0 HA LYS A 10 -0.399 -13.829 2.399 1.00 0.34 H new ATOM 0 HB2 LYS A 10 0.609 -12.401 4.391 1.00 0.42 H new ATOM 0 HB3 LYS A 10 -0.555 -11.204 3.858 1.00 0.42 H new ATOM 0 HG2 LYS A 10 -2.396 -12.804 4.169 1.00 0.93 H new ATOM 0 HG3 LYS A 10 -1.260 -14.066 4.604 1.00 0.93 H new ATOM 0 HD2 LYS A 10 -0.467 -12.475 6.487 1.00 0.98 H new ATOM 0 HD3 LYS A 10 -1.902 -11.530 6.143 1.00 0.98 H new ATOM 0 HE2 LYS A 10 -1.882 -14.482 6.893 1.00 1.27 H new ATOM 0 HE3 LYS A 10 -2.255 -13.165 7.988 1.00 1.27 H new ATOM 0 HZ1 LYS A 10 -4.266 -14.142 7.159 1.00 1.97 H new ATOM 0 HZ2 LYS A 10 -4.130 -12.566 6.543 1.00 1.97 H new ATOM 0 HZ3 LYS A 10 -3.787 -13.899 5.548 1.00 1.97 H new ATOM 152 N TYR A 11 -2.221 -12.708 1.115 1.00 0.34 N ATOM 153 CA TYR A 11 -3.202 -12.102 0.229 1.00 0.35 C ATOM 154 C TYR A 11 -4.322 -11.445 1.023 1.00 0.33 C ATOM 155 O TYR A 11 -5.133 -12.119 1.663 1.00 0.39 O ATOM 156 CB TYR A 11 -3.759 -13.139 -0.747 1.00 0.43 C ATOM 157 CG TYR A 11 -2.909 -13.295 -1.990 1.00 0.50 C ATOM 158 CD1 TYR A 11 -1.664 -13.913 -1.935 1.00 0.85 C ATOM 159 CD2 TYR A 11 -3.350 -12.819 -3.217 1.00 0.81 C ATOM 160 CE1 TYR A 11 -0.887 -14.051 -3.070 1.00 0.96 C ATOM 161 CE2 TYR A 11 -2.578 -12.955 -4.354 1.00 0.95 C ATOM 162 CZ TYR A 11 -1.351 -13.571 -4.274 1.00 0.83 C ATOM 163 OH TYR A 11 -0.582 -13.703 -5.406 1.00 1.03 O ATOM 0 H TYR A 11 -2.426 -13.670 1.386 1.00 0.34 H new ATOM 0 HA TYR A 11 -2.703 -11.324 -0.349 1.00 0.35 H new ATOM 0 HB2 TYR A 11 -3.835 -14.102 -0.242 1.00 0.43 H new ATOM 0 HB3 TYR A 11 -4.769 -12.851 -1.038 1.00 0.43 H new ATOM 0 HD1 TYR A 11 -1.299 -14.291 -0.991 1.00 0.85 H new ATOM 0 HD2 TYR A 11 -4.313 -12.334 -3.284 1.00 0.81 H new ATOM 0 HE1 TYR A 11 0.078 -14.532 -3.013 1.00 0.96 H new ATOM 0 HE2 TYR A 11 -2.936 -12.580 -5.301 1.00 0.95 H new ATOM 0 HH TYR A 11 -0.269 -12.820 -5.694 1.00 1.03 H new ATOM 173 N TYR A 12 -4.357 -10.122 0.983 1.00 0.37 N ATOM 174 CA TYR A 12 -5.369 -9.356 1.695 1.00 0.41 C ATOM 175 C TYR A 12 -6.518 -9.000 0.763 1.00 0.42 C ATOM 176 O TYR A 12 -6.387 -9.087 -0.460 1.00 0.45 O ATOM 177 CB TYR A 12 -4.761 -8.082 2.284 1.00 0.45 C ATOM 178 CG TYR A 12 -3.604 -8.337 3.224 1.00 0.51 C ATOM 179 CD1 TYR A 12 -3.821 -8.782 4.522 1.00 0.77 C ATOM 180 CD2 TYR A 12 -2.294 -8.129 2.814 1.00 0.70 C ATOM 181 CE1 TYR A 12 -2.765 -9.015 5.383 1.00 0.91 C ATOM 182 CE2 TYR A 12 -1.233 -8.357 3.668 1.00 0.82 C ATOM 183 CZ TYR A 12 -1.472 -8.799 4.952 1.00 0.82 C ATOM 184 OH TYR A 12 -0.416 -9.023 5.807 1.00 1.02 O ATOM 0 H TYR A 12 -3.691 -9.553 0.461 1.00 0.37 H new ATOM 0 HA TYR A 12 -5.753 -9.970 2.509 1.00 0.41 H new ATOM 0 HB2 TYR A 12 -4.421 -7.442 1.469 1.00 0.45 H new ATOM 0 HB3 TYR A 12 -5.537 -7.533 2.818 1.00 0.45 H new ATOM 0 HD1 TYR A 12 -4.832 -8.949 4.864 1.00 0.77 H new ATOM 0 HD2 TYR A 12 -2.101 -7.783 1.809 1.00 0.70 H new ATOM 0 HE1 TYR A 12 -2.951 -9.364 6.388 1.00 0.91 H new ATOM 0 HE2 TYR A 12 -0.220 -8.190 3.332 1.00 0.82 H new ATOM 0 HH TYR A 12 0.426 -8.824 5.346 1.00 1.02 H new ATOM 194 N THR A 13 -7.644 -8.621 1.339 1.00 0.47 N ATOM 195 CA THR A 13 -8.810 -8.249 0.560 1.00 0.51 C ATOM 196 C THR A 13 -8.854 -6.737 0.341 1.00 0.47 C ATOM 197 O THR A 13 -8.184 -5.983 1.053 1.00 0.46 O ATOM 198 CB THR A 13 -10.093 -8.715 1.265 1.00 0.62 C ATOM 199 OG1 THR A 13 -9.755 -9.309 2.531 1.00 0.77 O ATOM 200 CG2 THR A 13 -10.841 -9.723 0.409 1.00 0.86 C ATOM 0 H THR A 13 -7.776 -8.563 2.349 1.00 0.47 H new ATOM 0 HA THR A 13 -8.741 -8.738 -0.412 1.00 0.51 H new ATOM 0 HB THR A 13 -10.739 -7.851 1.424 1.00 0.62 H new ATOM 0 HG1 THR A 13 -10.573 -9.605 2.982 1.00 0.77 H new ATOM 0 HG21 THR A 13 -11.746 -10.040 0.927 1.00 0.86 H new ATOM 0 HG22 THR A 13 -11.109 -9.264 -0.543 1.00 0.86 H new ATOM 0 HG23 THR A 13 -10.205 -10.589 0.227 1.00 0.86 H new ATOM 208 N LEU A 14 -9.632 -6.297 -0.642 1.00 0.50 N ATOM 209 CA LEU A 14 -9.754 -4.878 -0.949 1.00 0.51 C ATOM 210 C LEU A 14 -10.318 -4.103 0.239 1.00 0.48 C ATOM 211 O LEU A 14 -9.912 -2.973 0.507 1.00 0.51 O ATOM 212 CB LEU A 14 -10.647 -4.677 -2.173 1.00 0.58 C ATOM 213 CG LEU A 14 -10.604 -3.277 -2.787 1.00 0.73 C ATOM 214 CD1 LEU A 14 -9.266 -3.027 -3.465 1.00 1.00 C ATOM 215 CD2 LEU A 14 -11.747 -3.093 -3.773 1.00 0.95 C ATOM 0 H LEU A 14 -10.189 -6.906 -1.241 1.00 0.50 H new ATOM 0 HA LEU A 14 -8.757 -4.494 -1.165 1.00 0.51 H new ATOM 0 HB2 LEU A 14 -10.359 -5.400 -2.936 1.00 0.58 H new ATOM 0 HB3 LEU A 14 -11.676 -4.902 -1.893 1.00 0.58 H new ATOM 0 HG LEU A 14 -10.720 -2.548 -1.985 1.00 0.73 H new ATOM 0 HD11 LEU A 14 -9.257 -2.025 -3.895 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -8.465 -3.114 -2.731 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -9.116 -3.762 -4.255 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -11.701 -2.091 -4.200 1.00 0.95 H new ATOM 0 HD22 LEU A 14 -11.663 -3.832 -4.570 1.00 0.95 H new ATOM 0 HD23 LEU A 14 -12.698 -3.224 -3.256 1.00 0.95 H new ATOM 227 N GLU A 15 -11.240 -4.724 0.961 1.00 0.50 N ATOM 228 CA GLU A 15 -11.858 -4.095 2.125 1.00 0.53 C ATOM 229 C GLU A 15 -10.983 -4.258 3.367 1.00 0.51 C ATOM 230 O GLU A 15 -11.368 -3.871 4.470 1.00 0.61 O ATOM 231 CB GLU A 15 -13.252 -4.684 2.383 1.00 0.61 C ATOM 232 CG GLU A 15 -13.274 -6.203 2.475 1.00 0.67 C ATOM 233 CD GLU A 15 -13.498 -6.864 1.131 1.00 0.76 C ATOM 234 OE1 GLU A 15 -12.534 -6.963 0.342 1.00 0.83 O ATOM 235 OE2 GLU A 15 -14.636 -7.288 0.855 1.00 1.05 O ATOM 0 H GLU A 15 -11.579 -5.665 0.762 1.00 0.50 H new ATOM 0 HA GLU A 15 -11.959 -3.031 1.913 1.00 0.53 H new ATOM 0 HB2 GLU A 15 -13.645 -4.268 3.311 1.00 0.61 H new ATOM 0 HB3 GLU A 15 -13.922 -4.369 1.583 1.00 0.61 H new ATOM 0 HG2 GLU A 15 -12.330 -6.552 2.895 1.00 0.67 H new ATOM 0 HG3 GLU A 15 -14.062 -6.510 3.163 1.00 0.67 H new ATOM 242 N GLU A 16 -9.804 -4.830 3.182 1.00 0.46 N ATOM 243 CA GLU A 16 -8.878 -5.043 4.282 1.00 0.50 C ATOM 244 C GLU A 16 -7.766 -4.000 4.257 1.00 0.46 C ATOM 245 O GLU A 16 -7.480 -3.353 5.267 1.00 0.51 O ATOM 246 CB GLU A 16 -8.282 -6.452 4.203 1.00 0.58 C ATOM 247 CG GLU A 16 -7.322 -6.776 5.335 1.00 1.05 C ATOM 248 CD GLU A 16 -7.938 -6.534 6.697 1.00 1.60 C ATOM 249 OE1 GLU A 16 -9.053 -7.041 6.945 1.00 2.32 O ATOM 250 OE2 GLU A 16 -7.318 -5.825 7.516 1.00 2.19 O ATOM 0 H GLU A 16 -9.465 -5.156 2.277 1.00 0.46 H new ATOM 0 HA GLU A 16 -9.425 -4.942 5.219 1.00 0.50 H new ATOM 0 HB2 GLU A 16 -9.093 -7.180 4.207 1.00 0.58 H new ATOM 0 HB3 GLU A 16 -7.759 -6.563 3.253 1.00 0.58 H new ATOM 0 HG2 GLU A 16 -7.012 -7.818 5.259 1.00 1.05 H new ATOM 0 HG3 GLU A 16 -6.423 -6.168 5.232 1.00 1.05 H new ATOM 257 N ILE A 17 -7.161 -3.826 3.089 1.00 0.42 N ATOM 258 CA ILE A 17 -6.067 -2.874 2.918 1.00 0.44 C ATOM 259 C ILE A 17 -6.502 -1.438 3.214 1.00 0.43 C ATOM 260 O ILE A 17 -5.698 -0.626 3.667 1.00 0.48 O ATOM 261 CB ILE A 17 -5.462 -2.951 1.496 1.00 0.50 C ATOM 262 CG1 ILE A 17 -6.560 -3.044 0.430 1.00 0.52 C ATOM 263 CG2 ILE A 17 -4.522 -4.144 1.386 1.00 0.58 C ATOM 264 CD1 ILE A 17 -6.979 -1.705 -0.137 1.00 0.98 C ATOM 0 H ILE A 17 -7.410 -4.334 2.240 1.00 0.42 H new ATOM 0 HA ILE A 17 -5.302 -3.156 3.642 1.00 0.44 H new ATOM 0 HB ILE A 17 -4.897 -2.035 1.321 1.00 0.50 H new ATOM 0 HG12 ILE A 17 -6.210 -3.679 -0.384 1.00 0.52 H new ATOM 0 HG13 ILE A 17 -7.433 -3.533 0.863 1.00 0.52 H new ATOM 0 HG21 ILE A 17 -4.104 -4.186 0.380 1.00 0.58 H new ATOM 0 HG22 ILE A 17 -3.715 -4.039 2.111 1.00 0.58 H new ATOM 0 HG23 ILE A 17 -5.074 -5.062 1.588 1.00 0.58 H new ATOM 0 HD11 ILE A 17 -7.759 -1.854 -0.884 1.00 0.98 H new ATOM 0 HD12 ILE A 17 -7.361 -1.074 0.665 1.00 0.98 H new ATOM 0 HD13 ILE A 17 -6.119 -1.221 -0.601 1.00 0.98 H new ATOM 276 N LYS A 18 -7.777 -1.134 2.977 1.00 0.42 N ATOM 277 CA LYS A 18 -8.291 0.213 3.219 1.00 0.48 C ATOM 278 C LYS A 18 -8.927 0.331 4.602 1.00 0.50 C ATOM 279 O LYS A 18 -9.634 1.294 4.896 1.00 0.63 O ATOM 280 CB LYS A 18 -9.305 0.606 2.140 1.00 0.56 C ATOM 281 CG LYS A 18 -10.514 -0.314 2.064 1.00 0.53 C ATOM 282 CD LYS A 18 -11.631 0.286 1.219 1.00 0.87 C ATOM 283 CE LYS A 18 -11.202 0.500 -0.227 1.00 1.05 C ATOM 284 NZ LYS A 18 -10.882 1.925 -0.508 1.00 1.48 N ATOM 0 H LYS A 18 -8.467 -1.795 2.621 1.00 0.42 H new ATOM 0 HA LYS A 18 -7.444 0.898 3.177 1.00 0.48 H new ATOM 0 HB2 LYS A 18 -9.647 1.623 2.330 1.00 0.56 H new ATOM 0 HB3 LYS A 18 -8.805 0.613 1.171 1.00 0.56 H new ATOM 0 HG2 LYS A 18 -10.214 -1.273 1.642 1.00 0.53 H new ATOM 0 HG3 LYS A 18 -10.885 -0.510 3.070 1.00 0.53 H new ATOM 0 HD2 LYS A 18 -12.499 -0.373 1.246 1.00 0.87 H new ATOM 0 HD3 LYS A 18 -11.940 1.238 1.650 1.00 0.87 H new ATOM 0 HE2 LYS A 18 -10.329 -0.117 -0.441 1.00 1.05 H new ATOM 0 HE3 LYS A 18 -11.998 0.169 -0.894 1.00 1.05 H new ATOM 0 HZ1 LYS A 18 -10.595 2.027 -1.502 1.00 1.48 H new ATOM 0 HZ2 LYS A 18 -11.722 2.511 -0.329 1.00 1.48 H new ATOM 0 HZ3 LYS A 18 -10.105 2.235 0.110 1.00 1.48 H new ATOM 298 N LYS A 19 -8.684 -0.656 5.447 1.00 0.47 N ATOM 299 CA LYS A 19 -9.221 -0.645 6.800 1.00 0.53 C ATOM 300 C LYS A 19 -8.094 -0.727 7.820 1.00 0.54 C ATOM 301 O LYS A 19 -8.272 -0.392 8.991 1.00 0.67 O ATOM 302 CB LYS A 19 -10.193 -1.808 7.006 1.00 0.60 C ATOM 303 CG LYS A 19 -11.650 -1.382 7.110 1.00 0.84 C ATOM 304 CD LYS A 19 -12.165 -0.824 5.793 1.00 1.09 C ATOM 305 CE LYS A 19 -13.651 -0.523 5.854 1.00 1.31 C ATOM 306 NZ LYS A 19 -13.960 0.597 6.778 1.00 1.68 N ATOM 0 H LYS A 19 -8.119 -1.475 5.222 1.00 0.47 H new ATOM 0 HA LYS A 19 -9.761 0.291 6.942 1.00 0.53 H new ATOM 0 HB2 LYS A 19 -10.088 -2.508 6.177 1.00 0.60 H new ATOM 0 HB3 LYS A 19 -9.916 -2.344 7.914 1.00 0.60 H new ATOM 0 HG2 LYS A 19 -12.259 -2.236 7.407 1.00 0.84 H new ATOM 0 HG3 LYS A 19 -11.755 -0.629 7.891 1.00 0.84 H new ATOM 0 HD2 LYS A 19 -11.619 0.086 5.545 1.00 1.09 H new ATOM 0 HD3 LYS A 19 -11.971 -1.539 4.994 1.00 1.09 H new ATOM 0 HE2 LYS A 19 -14.011 -0.277 4.855 1.00 1.31 H new ATOM 0 HE3 LYS A 19 -14.188 -1.416 6.176 1.00 1.31 H new ATOM 0 HZ1 LYS A 19 -14.980 0.800 6.749 1.00 1.68 H new ATOM 0 HZ2 LYS A 19 -13.687 0.334 7.746 1.00 1.68 H new ATOM 0 HZ3 LYS A 19 -13.430 1.443 6.487 1.00 1.68 H new ATOM 320 N HIS A 20 -6.932 -1.165 7.362 1.00 0.55 N ATOM 321 CA HIS A 20 -5.773 -1.302 8.227 1.00 0.59 C ATOM 322 C HIS A 20 -5.015 0.017 8.331 1.00 0.58 C ATOM 323 O HIS A 20 -4.371 0.291 9.344 1.00 0.66 O ATOM 324 CB HIS A 20 -4.848 -2.401 7.698 1.00 0.68 C ATOM 325 CG HIS A 20 -4.581 -3.501 8.684 1.00 0.74 C ATOM 326 ND1 HIS A 20 -5.258 -4.704 8.683 1.00 0.90 N ATOM 327 CD2 HIS A 20 -3.688 -3.581 9.700 1.00 0.98 C ATOM 328 CE1 HIS A 20 -4.791 -5.471 9.650 1.00 1.07 C ATOM 329 NE2 HIS A 20 -3.839 -4.814 10.283 1.00 1.13 N ATOM 0 H HIS A 20 -6.767 -1.433 6.392 1.00 0.55 H new ATOM 0 HA HIS A 20 -6.119 -1.577 9.223 1.00 0.59 H new ATOM 0 HB2 HIS A 20 -5.289 -2.832 6.799 1.00 0.68 H new ATOM 0 HB3 HIS A 20 -3.899 -1.953 7.404 1.00 0.68 H new ATOM 0 HD1 HIS A 20 -6.003 -4.960 8.036 1.00 0.90 H new ATOM 0 HD2 HIS A 20 -2.986 -2.815 9.996 1.00 0.98 H new ATOM 0 HE1 HIS A 20 -5.131 -6.469 9.884 1.00 1.07 H new ATOM 338 N ASN A 21 -5.102 0.835 7.286 1.00 0.58 N ATOM 339 CA ASN A 21 -4.410 2.120 7.265 1.00 0.61 C ATOM 340 C ASN A 21 -5.031 3.093 8.262 1.00 0.60 C ATOM 341 O ASN A 21 -6.225 3.392 8.210 1.00 0.75 O ATOM 342 CB ASN A 21 -4.402 2.725 5.852 1.00 0.72 C ATOM 343 CG ASN A 21 -5.785 3.100 5.344 1.00 0.74 C ATOM 344 OD1 ASN A 21 -6.531 2.248 4.872 1.00 0.96 O ATOM 345 ND2 ASN A 21 -6.128 4.380 5.425 1.00 0.88 N ATOM 0 H ASN A 21 -5.643 0.632 6.445 1.00 0.58 H new ATOM 0 HA ASN A 21 -3.376 1.942 7.561 1.00 0.61 H new ATOM 0 HB2 ASN A 21 -3.770 3.613 5.849 1.00 0.72 H new ATOM 0 HB3 ASN A 21 -3.952 2.011 5.162 1.00 0.72 H new ATOM 0 HD21 ASN A 21 -7.041 4.686 5.088 1.00 0.88 H new ATOM 0 HD22 ASN A 21 -5.479 5.058 5.824 1.00 0.88 H new ATOM 352 N HIS A 22 -4.215 3.564 9.190 1.00 0.64 N ATOM 353 CA HIS A 22 -4.666 4.510 10.201 1.00 0.76 C ATOM 354 C HIS A 22 -3.522 5.438 10.575 1.00 0.88 C ATOM 355 O HIS A 22 -3.484 6.592 10.158 1.00 1.61 O ATOM 356 CB HIS A 22 -5.188 3.786 11.449 1.00 0.83 C ATOM 357 CG HIS A 22 -6.487 3.070 11.242 1.00 0.87 C ATOM 358 ND1 HIS A 22 -7.693 3.719 11.111 1.00 1.32 N ATOM 359 CD2 HIS A 22 -6.758 1.749 11.115 1.00 1.17 C ATOM 360 CE1 HIS A 22 -8.649 2.831 10.907 1.00 1.29 C ATOM 361 NE2 HIS A 22 -8.109 1.626 10.904 1.00 1.09 N ATOM 0 H HIS A 22 -3.231 3.306 9.265 1.00 0.64 H new ATOM 0 HA HIS A 22 -5.489 5.092 9.785 1.00 0.76 H new ATOM 0 HB2 HIS A 22 -4.438 3.067 11.779 1.00 0.83 H new ATOM 0 HB3 HIS A 22 -5.310 4.512 12.253 1.00 0.83 H new ATOM 0 HD2 HIS A 22 -6.043 0.941 11.170 1.00 1.17 H new ATOM 0 HE1 HIS A 22 -9.697 3.053 10.766 1.00 1.29 H new ATOM 0 HE2 HIS A 22 -8.612 0.749 10.768 1.00 1.09 H new ATOM 370 N SER A 23 -2.582 4.911 11.347 1.00 0.60 N ATOM 371 CA SER A 23 -1.419 5.677 11.771 1.00 0.62 C ATOM 372 C SER A 23 -0.211 4.760 11.935 1.00 0.52 C ATOM 373 O SER A 23 0.866 5.026 11.403 1.00 0.62 O ATOM 374 CB SER A 23 -1.728 6.395 13.088 1.00 0.84 C ATOM 375 OG SER A 23 -2.586 5.609 13.903 1.00 1.32 O ATOM 0 H SER A 23 -2.603 3.952 11.694 1.00 0.60 H new ATOM 0 HA SER A 23 -1.184 6.420 11.009 1.00 0.62 H new ATOM 0 HB2 SER A 23 -0.800 6.600 13.622 1.00 0.84 H new ATOM 0 HB3 SER A 23 -2.197 7.357 12.881 1.00 0.84 H new ATOM 0 HG SER A 23 -2.769 6.085 14.740 1.00 1.32 H new ATOM 381 N LYS A 24 -0.412 3.664 12.658 1.00 0.51 N ATOM 382 CA LYS A 24 0.655 2.703 12.917 1.00 0.51 C ATOM 383 C LYS A 24 0.518 1.454 12.041 1.00 0.44 C ATOM 384 O LYS A 24 1.100 0.410 12.339 1.00 0.45 O ATOM 385 CB LYS A 24 0.636 2.302 14.393 1.00 0.71 C ATOM 386 CG LYS A 24 -0.644 1.593 14.808 1.00 0.97 C ATOM 387 CD LYS A 24 -0.727 1.435 16.312 1.00 1.41 C ATOM 388 CE LYS A 24 -1.970 0.669 16.730 1.00 1.88 C ATOM 389 NZ LYS A 24 -2.167 0.696 18.205 1.00 2.36 N ATOM 0 H LYS A 24 -1.309 3.418 13.077 1.00 0.51 H new ATOM 0 HA LYS A 24 1.604 3.180 12.672 1.00 0.51 H new ATOM 0 HB2 LYS A 24 1.486 1.651 14.596 1.00 0.71 H new ATOM 0 HB3 LYS A 24 0.764 3.194 15.006 1.00 0.71 H new ATOM 0 HG2 LYS A 24 -1.506 2.157 14.452 1.00 0.97 H new ATOM 0 HG3 LYS A 24 -0.688 0.612 14.335 1.00 0.97 H new ATOM 0 HD2 LYS A 24 0.160 0.914 16.672 1.00 1.41 H new ATOM 0 HD3 LYS A 24 -0.731 2.419 16.781 1.00 1.41 H new ATOM 0 HE2 LYS A 24 -2.843 1.098 16.239 1.00 1.88 H new ATOM 0 HE3 LYS A 24 -1.890 -0.365 16.393 1.00 1.88 H new ATOM 0 HZ1 LYS A 24 -3.025 0.162 18.450 1.00 2.36 H new ATOM 0 HZ2 LYS A 24 -1.345 0.264 18.673 1.00 2.36 H new ATOM 0 HZ3 LYS A 24 -2.269 1.681 18.524 1.00 2.36 H new ATOM 403 N SER A 25 -0.257 1.559 10.969 1.00 0.43 N ATOM 404 CA SER A 25 -0.463 0.438 10.052 1.00 0.42 C ATOM 405 C SER A 25 -0.834 0.949 8.659 1.00 0.42 C ATOM 406 O SER A 25 -1.710 0.404 7.991 1.00 0.50 O ATOM 407 CB SER A 25 -1.564 -0.487 10.583 1.00 0.48 C ATOM 408 OG SER A 25 -1.308 -0.885 11.923 1.00 0.83 O ATOM 0 H SER A 25 -0.756 2.410 10.710 1.00 0.43 H new ATOM 0 HA SER A 25 0.467 -0.126 9.981 1.00 0.42 H new ATOM 0 HB2 SER A 25 -2.526 0.023 10.531 1.00 0.48 H new ATOM 0 HB3 SER A 25 -1.637 -1.370 9.948 1.00 0.48 H new ATOM 0 HG SER A 25 -2.028 -1.473 12.233 1.00 0.83 H new ATOM 414 N THR A 26 -0.160 2.006 8.237 1.00 0.42 N ATOM 415 CA THR A 26 -0.404 2.617 6.938 1.00 0.43 C ATOM 416 C THR A 26 0.170 1.769 5.799 1.00 0.36 C ATOM 417 O THR A 26 1.389 1.642 5.657 1.00 0.41 O ATOM 418 CB THR A 26 0.209 4.028 6.894 1.00 0.51 C ATOM 419 OG1 THR A 26 -0.083 4.711 8.122 1.00 0.64 O ATOM 420 CG2 THR A 26 -0.337 4.826 5.720 1.00 0.56 C ATOM 0 H THR A 26 0.570 2.465 8.782 1.00 0.42 H new ATOM 0 HA THR A 26 -1.483 2.682 6.800 1.00 0.43 H new ATOM 0 HB THR A 26 1.288 3.934 6.768 1.00 0.51 H new ATOM 0 HG1 THR A 26 0.539 4.412 8.818 1.00 0.64 H new ATOM 0 HG21 THR A 26 0.113 5.819 5.714 1.00 0.56 H new ATOM 0 HG22 THR A 26 -0.097 4.313 4.789 1.00 0.56 H new ATOM 0 HG23 THR A 26 -1.419 4.919 5.815 1.00 0.56 H new ATOM 428 N TRP A 27 -0.719 1.186 4.998 1.00 0.35 N ATOM 429 CA TRP A 27 -0.315 0.356 3.870 1.00 0.33 C ATOM 430 C TRP A 27 -0.606 1.062 2.551 1.00 0.32 C ATOM 431 O TRP A 27 -1.615 1.758 2.414 1.00 0.36 O ATOM 432 CB TRP A 27 -1.045 -0.990 3.897 1.00 0.38 C ATOM 433 CG TRP A 27 -0.556 -1.929 4.956 1.00 0.40 C ATOM 434 CD1 TRP A 27 0.602 -1.833 5.677 1.00 0.43 C ATOM 435 CD2 TRP A 27 -1.212 -3.119 5.408 1.00 0.48 C ATOM 436 NE1 TRP A 27 0.701 -2.890 6.549 1.00 0.48 N ATOM 437 CE2 TRP A 27 -0.399 -3.693 6.402 1.00 0.52 C ATOM 438 CE3 TRP A 27 -2.410 -3.753 5.067 1.00 0.56 C ATOM 439 CZ2 TRP A 27 -0.746 -4.869 7.057 1.00 0.63 C ATOM 440 CZ3 TRP A 27 -2.754 -4.923 5.718 1.00 0.68 C ATOM 441 CH2 TRP A 27 -1.924 -5.470 6.704 1.00 0.71 C ATOM 0 H TRP A 27 -1.729 1.275 5.112 1.00 0.35 H new ATOM 0 HA TRP A 27 0.758 0.181 3.954 1.00 0.33 H new ATOM 0 HB2 TRP A 27 -2.109 -0.811 4.048 1.00 0.38 H new ATOM 0 HB3 TRP A 27 -0.938 -1.469 2.924 1.00 0.38 H new ATOM 0 HD1 TRP A 27 1.331 -1.043 5.576 1.00 0.43 H new ATOM 0 HE1 TRP A 27 1.469 -3.051 7.200 1.00 0.48 H new ATOM 0 HE3 TRP A 27 -3.056 -3.336 4.308 1.00 0.56 H new ATOM 0 HZ2 TRP A 27 -0.108 -5.294 7.818 1.00 0.63 H new ATOM 0 HZ3 TRP A 27 -3.677 -5.423 5.462 1.00 0.68 H new ATOM 0 HH2 TRP A 27 -2.219 -6.385 7.196 1.00 0.71 H new ATOM 452 N LEU A 28 0.280 0.881 1.586 1.00 0.32 N ATOM 453 CA LEU A 28 0.122 1.489 0.275 1.00 0.33 C ATOM 454 C LEU A 28 0.178 0.418 -0.805 1.00 0.32 C ATOM 455 O LEU A 28 0.918 -0.560 -0.682 1.00 0.32 O ATOM 456 CB LEU A 28 1.212 2.540 0.046 1.00 0.36 C ATOM 457 CG LEU A 28 0.714 3.899 -0.451 1.00 0.56 C ATOM 458 CD1 LEU A 28 1.695 4.996 -0.071 1.00 0.85 C ATOM 459 CD2 LEU A 28 0.501 3.871 -1.958 1.00 0.99 C ATOM 0 H LEU A 28 1.122 0.314 1.687 1.00 0.32 H new ATOM 0 HA LEU A 28 -0.849 1.982 0.227 1.00 0.33 H new ATOM 0 HB2 LEU A 28 1.753 2.689 0.981 1.00 0.36 H new ATOM 0 HB3 LEU A 28 1.927 2.147 -0.677 1.00 0.36 H new ATOM 0 HG LEU A 28 -0.242 4.112 0.027 1.00 0.56 H new ATOM 0 HD11 LEU A 28 1.325 5.956 -0.432 1.00 0.85 H new ATOM 0 HD12 LEU A 28 1.799 5.032 1.013 1.00 0.85 H new ATOM 0 HD13 LEU A 28 2.666 4.788 -0.521 1.00 0.85 H new ATOM 0 HD21 LEU A 28 0.147 4.846 -2.294 1.00 0.99 H new ATOM 0 HD22 LEU A 28 1.443 3.636 -2.454 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -0.239 3.111 -2.207 1.00 0.99 H new ATOM 471 N ILE A 29 -0.613 0.591 -1.853 1.00 0.35 N ATOM 472 CA ILE A 29 -0.648 -0.373 -2.939 1.00 0.36 C ATOM 473 C ILE A 29 0.076 0.160 -4.165 1.00 0.36 C ATOM 474 O ILE A 29 -0.259 1.225 -4.687 1.00 0.39 O ATOM 475 CB ILE A 29 -2.095 -0.745 -3.326 1.00 0.42 C ATOM 476 CG1 ILE A 29 -2.826 -1.360 -2.132 1.00 0.50 C ATOM 477 CG2 ILE A 29 -2.111 -1.702 -4.511 1.00 0.44 C ATOM 478 CD1 ILE A 29 -4.284 -1.641 -2.405 1.00 0.80 C ATOM 0 H ILE A 29 -1.237 1.388 -1.973 1.00 0.35 H new ATOM 0 HA ILE A 29 -0.141 -1.269 -2.580 1.00 0.36 H new ATOM 0 HB ILE A 29 -2.614 0.168 -3.619 1.00 0.42 H new ATOM 0 HG12 ILE A 29 -2.330 -2.289 -1.851 1.00 0.50 H new ATOM 0 HG13 ILE A 29 -2.746 -0.686 -1.279 1.00 0.50 H new ATOM 0 HG21 ILE A 29 -3.142 -1.949 -4.765 1.00 0.44 H new ATOM 0 HG22 ILE A 29 -1.630 -1.229 -5.367 1.00 0.44 H new ATOM 0 HG23 ILE A 29 -1.573 -2.613 -4.250 1.00 0.44 H new ATOM 0 HD11 ILE A 29 -4.743 -2.076 -1.517 1.00 0.80 H new ATOM 0 HD12 ILE A 29 -4.793 -0.711 -2.657 1.00 0.80 H new ATOM 0 HD13 ILE A 29 -4.370 -2.339 -3.238 1.00 0.80 H new ATOM 490 N LEU A 30 1.082 -0.577 -4.607 1.00 0.34 N ATOM 491 CA LEU A 30 1.853 -0.207 -5.783 1.00 0.37 C ATOM 492 C LEU A 30 1.951 -1.403 -6.715 1.00 0.38 C ATOM 493 O LEU A 30 2.476 -2.450 -6.334 1.00 0.38 O ATOM 494 CB LEU A 30 3.249 0.279 -5.389 1.00 0.38 C ATOM 495 CG LEU A 30 3.285 1.602 -4.624 1.00 0.40 C ATOM 496 CD1 LEU A 30 4.671 1.853 -4.052 1.00 0.44 C ATOM 497 CD2 LEU A 30 2.862 2.749 -5.531 1.00 0.48 C ATOM 0 H LEU A 30 1.386 -1.444 -4.164 1.00 0.34 H new ATOM 0 HA LEU A 30 1.348 0.612 -6.295 1.00 0.37 H new ATOM 0 HB2 LEU A 30 3.725 -0.489 -4.778 1.00 0.38 H new ATOM 0 HB3 LEU A 30 3.849 0.384 -6.293 1.00 0.38 H new ATOM 0 HG LEU A 30 2.581 1.541 -3.794 1.00 0.40 H new ATOM 0 HD11 LEU A 30 4.676 2.799 -3.511 1.00 0.44 H new ATOM 0 HD12 LEU A 30 4.935 1.044 -3.370 1.00 0.44 H new ATOM 0 HD13 LEU A 30 5.397 1.895 -4.864 1.00 0.44 H new ATOM 0 HD21 LEU A 30 2.892 3.685 -4.973 1.00 0.48 H new ATOM 0 HD22 LEU A 30 3.542 2.811 -6.380 1.00 0.48 H new ATOM 0 HD23 LEU A 30 1.848 2.574 -5.890 1.00 0.48 H new ATOM 509 N HIS A 31 1.431 -1.246 -7.929 1.00 0.41 N ATOM 510 CA HIS A 31 1.422 -2.314 -8.925 1.00 0.43 C ATOM 511 C HIS A 31 0.572 -3.474 -8.423 1.00 0.42 C ATOM 512 O HIS A 31 0.839 -4.641 -8.717 1.00 0.45 O ATOM 513 CB HIS A 31 2.843 -2.783 -9.261 1.00 0.47 C ATOM 514 CG HIS A 31 3.394 -2.171 -10.514 1.00 0.66 C ATOM 515 ND1 HIS A 31 3.061 -2.612 -11.776 1.00 1.11 N ATOM 516 CD2 HIS A 31 4.243 -1.131 -10.699 1.00 1.10 C ATOM 517 CE1 HIS A 31 3.676 -1.873 -12.678 1.00 1.22 C ATOM 518 NE2 HIS A 31 4.399 -0.966 -12.054 1.00 1.18 N ATOM 0 H HIS A 31 1.005 -0.377 -8.250 1.00 0.41 H new ATOM 0 HA HIS A 31 0.987 -1.924 -9.845 1.00 0.43 H new ATOM 0 HB2 HIS A 31 3.503 -2.542 -8.428 1.00 0.47 H new ATOM 0 HB3 HIS A 31 2.844 -3.868 -9.365 1.00 0.47 H new ATOM 0 HD2 HIS A 31 4.710 -0.541 -9.925 1.00 1.10 H new ATOM 0 HE1 HIS A 31 3.600 -1.991 -13.749 1.00 1.22 H new ATOM 0 HE2 HIS A 31 4.979 -0.257 -12.503 1.00 1.18 H new ATOM 527 N HIS A 32 -0.460 -3.119 -7.652 1.00 0.42 N ATOM 528 CA HIS A 32 -1.398 -4.080 -7.074 1.00 0.44 C ATOM 529 C HIS A 32 -0.716 -4.980 -6.040 1.00 0.40 C ATOM 530 O HIS A 32 -1.118 -6.127 -5.832 1.00 0.44 O ATOM 531 CB HIS A 32 -2.076 -4.912 -8.168 1.00 0.52 C ATOM 532 CG HIS A 32 -3.040 -4.124 -9.003 1.00 0.68 C ATOM 533 ND1 HIS A 32 -3.324 -4.429 -10.315 1.00 1.01 N ATOM 534 CD2 HIS A 32 -3.793 -3.037 -8.702 1.00 0.85 C ATOM 535 CE1 HIS A 32 -4.205 -3.568 -10.786 1.00 1.09 C ATOM 536 NE2 HIS A 32 -4.507 -2.713 -9.828 1.00 0.97 N ATOM 0 H HIS A 32 -0.668 -2.150 -7.411 1.00 0.42 H new ATOM 0 HA HIS A 32 -2.170 -3.513 -6.554 1.00 0.44 H new ATOM 0 HB2 HIS A 32 -1.311 -5.340 -8.816 1.00 0.52 H new ATOM 0 HB3 HIS A 32 -2.604 -5.746 -7.705 1.00 0.52 H new ATOM 0 HD2 HIS A 32 -3.825 -2.522 -7.753 1.00 0.85 H new ATOM 0 HE1 HIS A 32 -4.611 -3.564 -11.787 1.00 1.09 H new ATOM 0 HE2 HIS A 32 -5.164 -1.937 -9.911 1.00 0.97 H new ATOM 545 N LYS A 33 0.315 -4.449 -5.394 1.00 0.37 N ATOM 546 CA LYS A 33 1.040 -5.176 -4.358 1.00 0.37 C ATOM 547 C LYS A 33 0.950 -4.386 -3.054 1.00 0.33 C ATOM 548 O LYS A 33 0.894 -3.155 -3.083 1.00 0.36 O ATOM 549 CB LYS A 33 2.509 -5.375 -4.749 1.00 0.40 C ATOM 550 CG LYS A 33 2.717 -5.900 -6.163 1.00 0.57 C ATOM 551 CD LYS A 33 2.874 -7.413 -6.190 1.00 0.79 C ATOM 552 CE LYS A 33 3.370 -7.897 -7.545 1.00 0.94 C ATOM 553 NZ LYS A 33 3.540 -9.376 -7.590 1.00 1.02 N ATOM 0 H LYS A 33 0.670 -3.509 -5.571 1.00 0.37 H new ATOM 0 HA LYS A 33 0.592 -6.162 -4.234 1.00 0.37 H new ATOM 0 HB2 LYS A 33 3.032 -4.424 -4.647 1.00 0.40 H new ATOM 0 HB3 LYS A 33 2.969 -6.069 -4.045 1.00 0.40 H new ATOM 0 HG2 LYS A 33 1.870 -5.612 -6.785 1.00 0.57 H new ATOM 0 HG3 LYS A 33 3.603 -5.435 -6.596 1.00 0.57 H new ATOM 0 HD2 LYS A 33 3.574 -7.721 -5.414 1.00 0.79 H new ATOM 0 HD3 LYS A 33 1.918 -7.883 -5.962 1.00 0.79 H new ATOM 0 HE2 LYS A 33 2.665 -7.591 -8.318 1.00 0.94 H new ATOM 0 HE3 LYS A 33 4.322 -7.417 -7.774 1.00 0.94 H new ATOM 0 HZ1 LYS A 33 3.459 -9.705 -8.573 1.00 1.02 H new ATOM 0 HZ2 LYS A 33 4.477 -9.629 -7.216 1.00 1.02 H new ATOM 0 HZ3 LYS A 33 2.803 -9.828 -7.012 1.00 1.02 H new ATOM 567 N VAL A 34 0.941 -5.082 -1.923 1.00 0.30 N ATOM 568 CA VAL A 34 0.829 -4.421 -0.621 1.00 0.30 C ATOM 569 C VAL A 34 2.201 -4.139 -0.021 1.00 0.27 C ATOM 570 O VAL A 34 2.977 -5.060 0.256 1.00 0.28 O ATOM 571 CB VAL A 34 0.010 -5.262 0.382 1.00 0.32 C ATOM 572 CG1 VAL A 34 -0.334 -4.439 1.614 1.00 0.36 C ATOM 573 CG2 VAL A 34 -1.252 -5.798 -0.274 1.00 0.35 C ATOM 0 H VAL A 34 1.009 -6.099 -1.877 1.00 0.30 H new ATOM 0 HA VAL A 34 0.310 -3.479 -0.800 1.00 0.30 H new ATOM 0 HB VAL A 34 0.619 -6.110 0.696 1.00 0.32 H new ATOM 0 HG11 VAL A 34 -0.911 -5.049 2.309 1.00 0.36 H new ATOM 0 HG12 VAL A 34 0.585 -4.108 2.098 1.00 0.36 H new ATOM 0 HG13 VAL A 34 -0.922 -3.570 1.319 1.00 0.36 H new ATOM 0 HG21 VAL A 34 -1.815 -6.388 0.449 1.00 0.35 H new ATOM 0 HG22 VAL A 34 -1.865 -4.965 -0.619 1.00 0.35 H new ATOM 0 HG23 VAL A 34 -0.982 -6.426 -1.123 1.00 0.35 H new ATOM 583 N TYR A 35 2.494 -2.862 0.182 1.00 0.28 N ATOM 584 CA TYR A 35 3.764 -2.447 0.756 1.00 0.28 C ATOM 585 C TYR A 35 3.544 -1.719 2.078 1.00 0.30 C ATOM 586 O TYR A 35 2.701 -0.821 2.171 1.00 0.32 O ATOM 587 CB TYR A 35 4.516 -1.530 -0.216 1.00 0.31 C ATOM 588 CG TYR A 35 4.918 -2.198 -1.512 1.00 0.31 C ATOM 589 CD1 TYR A 35 6.077 -2.955 -1.592 1.00 0.35 C ATOM 590 CD2 TYR A 35 4.141 -2.067 -2.654 1.00 0.43 C ATOM 591 CE1 TYR A 35 6.451 -3.566 -2.773 1.00 0.40 C ATOM 592 CE2 TYR A 35 4.508 -2.674 -3.839 1.00 0.47 C ATOM 593 CZ TYR A 35 5.663 -3.423 -3.893 1.00 0.41 C ATOM 594 OH TYR A 35 6.035 -4.032 -5.074 1.00 0.48 O ATOM 0 H TYR A 35 1.864 -2.092 -0.044 1.00 0.28 H new ATOM 0 HA TYR A 35 4.360 -3.341 0.939 1.00 0.28 H new ATOM 0 HB2 TYR A 35 3.889 -0.668 -0.444 1.00 0.31 H new ATOM 0 HB3 TYR A 35 5.411 -1.152 0.278 1.00 0.31 H new ATOM 0 HD1 TYR A 35 6.698 -3.069 -0.716 1.00 0.35 H new ATOM 0 HD2 TYR A 35 3.235 -1.481 -2.616 1.00 0.43 H new ATOM 0 HE1 TYR A 35 7.357 -4.153 -2.818 1.00 0.40 H new ATOM 0 HE2 TYR A 35 3.892 -2.562 -4.719 1.00 0.47 H new ATOM 0 HH TYR A 35 5.371 -3.834 -5.767 1.00 0.48 H new ATOM 604 N ASP A 36 4.293 -2.119 3.098 1.00 0.32 N ATOM 605 CA ASP A 36 4.198 -1.499 4.411 1.00 0.36 C ATOM 606 C ASP A 36 5.265 -0.425 4.561 1.00 0.38 C ATOM 607 O ASP A 36 6.460 -0.692 4.413 1.00 0.50 O ATOM 608 CB ASP A 36 4.351 -2.542 5.528 1.00 0.43 C ATOM 609 CG ASP A 36 4.778 -1.930 6.856 1.00 0.57 C ATOM 610 OD1 ASP A 36 4.231 -0.871 7.243 1.00 0.90 O ATOM 611 OD2 ASP A 36 5.674 -2.499 7.523 1.00 1.28 O ATOM 0 H ASP A 36 4.976 -2.874 3.039 1.00 0.32 H new ATOM 0 HA ASP A 36 3.211 -1.044 4.498 1.00 0.36 H new ATOM 0 HB2 ASP A 36 3.404 -3.065 5.662 1.00 0.43 H new ATOM 0 HB3 ASP A 36 5.086 -3.287 5.224 1.00 0.43 H new ATOM 616 N LEU A 37 4.824 0.785 4.850 1.00 0.37 N ATOM 617 CA LEU A 37 5.730 1.905 5.029 1.00 0.43 C ATOM 618 C LEU A 37 5.206 2.831 6.119 1.00 0.37 C ATOM 619 O LEU A 37 5.514 4.024 6.144 1.00 0.40 O ATOM 620 CB LEU A 37 5.913 2.669 3.707 1.00 0.56 C ATOM 621 CG LEU A 37 4.747 3.568 3.286 1.00 0.66 C ATOM 622 CD1 LEU A 37 5.214 4.580 2.251 1.00 0.86 C ATOM 623 CD2 LEU A 37 3.599 2.736 2.737 1.00 0.80 C ATOM 0 H LEU A 37 3.838 1.018 4.966 1.00 0.37 H new ATOM 0 HA LEU A 37 6.704 1.523 5.336 1.00 0.43 H new ATOM 0 HB2 LEU A 37 6.810 3.284 3.786 1.00 0.56 H new ATOM 0 HB3 LEU A 37 6.092 1.944 2.913 1.00 0.56 H new ATOM 0 HG LEU A 37 4.388 4.105 4.164 1.00 0.66 H new ATOM 0 HD11 LEU A 37 4.377 5.214 1.959 1.00 0.86 H new ATOM 0 HD12 LEU A 37 6.005 5.197 2.677 1.00 0.86 H new ATOM 0 HD13 LEU A 37 5.595 4.055 1.375 1.00 0.86 H new ATOM 0 HD21 LEU A 37 2.781 3.394 2.444 1.00 0.80 H new ATOM 0 HD22 LEU A 37 3.941 2.173 1.869 1.00 0.80 H new ATOM 0 HD23 LEU A 37 3.251 2.044 3.504 1.00 0.80 H new ATOM 635 N THR A 38 4.443 2.263 7.050 1.00 0.34 N ATOM 636 CA THR A 38 3.861 3.038 8.138 1.00 0.36 C ATOM 637 C THR A 38 4.945 3.657 9.026 1.00 0.38 C ATOM 638 O THR A 38 4.709 4.655 9.705 1.00 0.44 O ATOM 639 CB THR A 38 2.896 2.182 8.988 1.00 0.41 C ATOM 640 OG1 THR A 38 1.971 3.033 9.682 1.00 0.48 O ATOM 641 CG2 THR A 38 3.646 1.307 9.987 1.00 0.48 C ATOM 0 H THR A 38 4.215 1.269 7.071 1.00 0.34 H new ATOM 0 HA THR A 38 3.289 3.847 7.683 1.00 0.36 H new ATOM 0 HB THR A 38 2.353 1.523 8.311 1.00 0.41 H new ATOM 0 HG1 THR A 38 2.428 3.853 9.963 1.00 0.48 H new ATOM 0 HG21 THR A 38 2.932 0.721 10.565 1.00 0.48 H new ATOM 0 HG22 THR A 38 4.317 0.636 9.451 1.00 0.48 H new ATOM 0 HG23 THR A 38 4.226 1.938 10.660 1.00 0.48 H new ATOM 649 N LYS A 39 6.133 3.066 9.006 1.00 0.39 N ATOM 650 CA LYS A 39 7.251 3.571 9.786 1.00 0.47 C ATOM 651 C LYS A 39 8.270 4.226 8.867 1.00 0.47 C ATOM 652 O LYS A 39 9.400 4.504 9.263 1.00 0.59 O ATOM 653 CB LYS A 39 7.905 2.445 10.597 1.00 0.56 C ATOM 654 CG LYS A 39 7.126 2.058 11.847 1.00 0.75 C ATOM 655 CD LYS A 39 7.071 3.203 12.846 1.00 0.92 C ATOM 656 CE LYS A 39 6.113 2.907 13.986 1.00 1.27 C ATOM 657 NZ LYS A 39 5.898 4.097 14.849 1.00 1.50 N ATOM 0 H LYS A 39 6.345 2.234 8.456 1.00 0.39 H new ATOM 0 HA LYS A 39 6.876 4.316 10.487 1.00 0.47 H new ATOM 0 HB2 LYS A 39 8.013 1.567 9.961 1.00 0.56 H new ATOM 0 HB3 LYS A 39 8.909 2.754 10.887 1.00 0.56 H new ATOM 0 HG2 LYS A 39 6.113 1.767 11.570 1.00 0.75 H new ATOM 0 HG3 LYS A 39 7.592 1.189 12.313 1.00 0.75 H new ATOM 0 HD2 LYS A 39 8.068 3.385 13.246 1.00 0.92 H new ATOM 0 HD3 LYS A 39 6.760 4.116 12.337 1.00 0.92 H new ATOM 0 HE2 LYS A 39 5.157 2.575 13.581 1.00 1.27 H new ATOM 0 HE3 LYS A 39 6.506 2.088 14.588 1.00 1.27 H new ATOM 0 HZ1 LYS A 39 5.238 3.855 15.616 1.00 1.50 H new ATOM 0 HZ2 LYS A 39 6.806 4.399 15.256 1.00 1.50 H new ATOM 0 HZ3 LYS A 39 5.499 4.871 14.280 1.00 1.50 H new ATOM 671 N PHE A 40 7.852 4.482 7.637 1.00 0.40 N ATOM 672 CA PHE A 40 8.716 5.105 6.647 1.00 0.44 C ATOM 673 C PHE A 40 8.076 6.383 6.118 1.00 0.40 C ATOM 674 O PHE A 40 8.618 7.038 5.231 1.00 0.42 O ATOM 675 CB PHE A 40 8.984 4.131 5.494 1.00 0.52 C ATOM 676 CG PHE A 40 10.430 4.059 5.085 1.00 1.16 C ATOM 677 CD1 PHE A 40 11.361 3.425 5.895 1.00 1.66 C ATOM 678 CD2 PHE A 40 10.854 4.618 3.889 1.00 1.77 C ATOM 679 CE1 PHE A 40 12.688 3.353 5.518 1.00 2.39 C ATOM 680 CE2 PHE A 40 12.180 4.549 3.509 1.00 2.45 C ATOM 681 CZ PHE A 40 13.099 3.916 4.323 1.00 2.68 C ATOM 0 H PHE A 40 6.914 4.266 7.299 1.00 0.40 H new ATOM 0 HA PHE A 40 9.664 5.360 7.120 1.00 0.44 H new ATOM 0 HB2 PHE A 40 8.648 3.136 5.786 1.00 0.52 H new ATOM 0 HB3 PHE A 40 8.387 4.429 4.632 1.00 0.52 H new ATOM 0 HD1 PHE A 40 11.045 2.984 6.829 1.00 1.66 H new ATOM 0 HD2 PHE A 40 10.140 5.113 3.248 1.00 1.77 H new ATOM 0 HE1 PHE A 40 13.405 2.857 6.156 1.00 2.39 H new ATOM 0 HE2 PHE A 40 12.498 4.990 2.576 1.00 2.45 H new ATOM 0 HZ PHE A 40 14.136 3.861 4.027 1.00 2.68 H new ATOM 691 N LEU A 41 6.924 6.736 6.681 1.00 0.39 N ATOM 692 CA LEU A 41 6.194 7.933 6.268 1.00 0.43 C ATOM 693 C LEU A 41 7.043 9.188 6.442 1.00 0.44 C ATOM 694 O LEU A 41 7.064 10.066 5.582 1.00 0.47 O ATOM 695 CB LEU A 41 4.901 8.071 7.078 1.00 0.49 C ATOM 696 CG LEU A 41 3.946 6.876 6.999 1.00 0.48 C ATOM 697 CD1 LEU A 41 2.820 7.027 8.008 1.00 0.55 C ATOM 698 CD2 LEU A 41 3.377 6.731 5.596 1.00 0.59 C ATOM 0 H LEU A 41 6.473 6.208 7.428 1.00 0.39 H new ATOM 0 HA LEU A 41 5.952 7.826 5.211 1.00 0.43 H new ATOM 0 HB2 LEU A 41 5.163 8.237 8.123 1.00 0.49 H new ATOM 0 HB3 LEU A 41 4.372 8.961 6.737 1.00 0.49 H new ATOM 0 HG LEU A 41 4.511 5.975 7.237 1.00 0.48 H new ATOM 0 HD11 LEU A 41 2.151 6.169 7.938 1.00 0.55 H new ATOM 0 HD12 LEU A 41 3.237 7.081 9.014 1.00 0.55 H new ATOM 0 HD13 LEU A 41 2.263 7.940 7.797 1.00 0.55 H new ATOM 0 HD21 LEU A 41 2.702 5.876 5.564 1.00 0.59 H new ATOM 0 HD22 LEU A 41 2.830 7.636 5.330 1.00 0.59 H new ATOM 0 HD23 LEU A 41 4.191 6.577 4.887 1.00 0.59 H new ATOM 710 N GLU A 42 7.750 9.254 7.560 1.00 0.49 N ATOM 711 CA GLU A 42 8.605 10.395 7.866 1.00 0.56 C ATOM 712 C GLU A 42 9.992 10.214 7.257 1.00 0.54 C ATOM 713 O GLU A 42 10.826 11.117 7.296 1.00 0.66 O ATOM 714 CB GLU A 42 8.711 10.577 9.379 1.00 0.67 C ATOM 715 CG GLU A 42 9.066 9.300 10.128 1.00 0.72 C ATOM 716 CD GLU A 42 8.657 9.356 11.580 1.00 0.93 C ATOM 717 OE1 GLU A 42 7.448 9.211 11.865 1.00 1.40 O ATOM 718 OE2 GLU A 42 9.534 9.561 12.444 1.00 1.50 O ATOM 0 H GLU A 42 7.749 8.527 8.275 1.00 0.49 H new ATOM 0 HA GLU A 42 8.157 11.288 7.430 1.00 0.56 H new ATOM 0 HB2 GLU A 42 9.466 11.334 9.593 1.00 0.67 H new ATOM 0 HB3 GLU A 42 7.762 10.957 9.757 1.00 0.67 H new ATOM 0 HG2 GLU A 42 8.578 8.452 9.648 1.00 0.72 H new ATOM 0 HG3 GLU A 42 10.140 9.129 10.062 1.00 0.72 H new ATOM 725 N GLU A 43 10.227 9.041 6.691 1.00 0.48 N ATOM 726 CA GLU A 43 11.507 8.730 6.069 1.00 0.50 C ATOM 727 C GLU A 43 11.408 8.894 4.561 1.00 0.43 C ATOM 728 O GLU A 43 12.388 8.726 3.837 1.00 0.54 O ATOM 729 CB GLU A 43 11.922 7.297 6.408 1.00 0.58 C ATOM 730 CG GLU A 43 12.304 7.099 7.863 1.00 0.76 C ATOM 731 CD GLU A 43 13.537 7.887 8.245 1.00 0.96 C ATOM 732 OE1 GLU A 43 14.581 7.726 7.576 1.00 1.46 O ATOM 733 OE2 GLU A 43 13.471 8.666 9.217 1.00 1.56 O ATOM 0 H GLU A 43 9.545 8.284 6.649 1.00 0.48 H new ATOM 0 HA GLU A 43 12.260 9.418 6.453 1.00 0.50 H new ATOM 0 HB2 GLU A 43 11.101 6.623 6.162 1.00 0.58 H new ATOM 0 HB3 GLU A 43 12.766 7.014 5.779 1.00 0.58 H new ATOM 0 HG2 GLU A 43 11.472 7.400 8.499 1.00 0.76 H new ATOM 0 HG3 GLU A 43 12.480 6.040 8.049 1.00 0.76 H new ATOM 740 N HIS A 44 10.216 9.228 4.100 1.00 0.43 N ATOM 741 CA HIS A 44 9.962 9.403 2.681 1.00 0.39 C ATOM 742 C HIS A 44 10.135 10.864 2.272 1.00 0.43 C ATOM 743 O HIS A 44 9.461 11.748 2.803 1.00 0.51 O ATOM 744 CB HIS A 44 8.545 8.925 2.350 1.00 0.41 C ATOM 745 CG HIS A 44 8.206 9.011 0.896 1.00 0.39 C ATOM 746 ND1 HIS A 44 7.409 9.991 0.344 1.00 0.42 N ATOM 747 CD2 HIS A 44 8.585 8.212 -0.128 1.00 0.41 C ATOM 748 CE1 HIS A 44 7.332 9.761 -0.970 1.00 0.40 C ATOM 749 NE2 HIS A 44 8.031 8.692 -1.306 1.00 0.41 N ATOM 0 H HIS A 44 9.402 9.385 4.694 1.00 0.43 H new ATOM 0 HA HIS A 44 10.684 8.809 2.122 1.00 0.39 H new ATOM 0 HB2 HIS A 44 8.433 7.892 2.680 1.00 0.41 H new ATOM 0 HB3 HIS A 44 7.829 9.520 2.917 1.00 0.41 H new ATOM 0 HD1 HIS A 44 6.959 10.755 0.848 1.00 0.42 H new ATOM 0 HD2 HIS A 44 9.217 7.341 -0.042 1.00 0.41 H new ATOM 0 HE1 HIS A 44 6.772 10.369 -1.665 1.00 0.40 H new ATOM 757 N PRO A 45 11.042 11.138 1.327 1.00 0.44 N ATOM 758 CA PRO A 45 11.287 12.496 0.844 1.00 0.53 C ATOM 759 C PRO A 45 10.194 12.969 -0.113 1.00 0.62 C ATOM 760 O PRO A 45 9.760 12.225 -0.993 1.00 1.11 O ATOM 761 CB PRO A 45 12.620 12.368 0.111 1.00 0.58 C ATOM 762 CG PRO A 45 12.647 10.960 -0.374 1.00 0.56 C ATOM 763 CD PRO A 45 11.899 10.146 0.646 1.00 0.44 C ATOM 0 HA PRO A 45 11.297 13.228 1.652 1.00 0.53 H new ATOM 0 HB2 PRO A 45 12.687 13.074 -0.717 1.00 0.58 H new ATOM 0 HB3 PRO A 45 13.459 12.575 0.775 1.00 0.58 H new ATOM 0 HG2 PRO A 45 12.179 10.878 -1.355 1.00 0.56 H new ATOM 0 HG3 PRO A 45 13.672 10.605 -0.479 1.00 0.56 H new ATOM 0 HD2 PRO A 45 11.307 9.361 0.176 1.00 0.44 H new ATOM 0 HD3 PRO A 45 12.578 9.657 1.344 1.00 0.44 H new ATOM 771 N GLY A 46 9.746 14.204 0.068 1.00 0.75 N ATOM 772 CA GLY A 46 8.709 14.751 -0.789 1.00 0.82 C ATOM 773 C GLY A 46 7.444 15.071 -0.022 1.00 0.83 C ATOM 774 O GLY A 46 6.632 15.890 -0.455 1.00 1.38 O ATOM 0 H GLY A 46 10.081 14.838 0.793 1.00 0.75 H new ATOM 0 HA2 GLY A 46 9.078 15.656 -1.271 1.00 0.82 H new ATOM 0 HA3 GLY A 46 8.481 14.038 -1.581 1.00 0.82 H new ATOM 778 N GLY A 47 7.270 14.423 1.118 1.00 0.66 N ATOM 779 CA GLY A 47 6.099 14.668 1.929 1.00 0.67 C ATOM 780 C GLY A 47 5.474 13.397 2.459 1.00 0.60 C ATOM 781 O GLY A 47 5.789 12.297 1.996 1.00 0.64 O ATOM 0 H GLY A 47 7.919 13.732 1.496 1.00 0.66 H new ATOM 0 HA2 GLY A 47 6.371 15.310 2.767 1.00 0.67 H new ATOM 0 HA3 GLY A 47 5.361 15.211 1.338 1.00 0.67 H new ATOM 785 N GLU A 48 4.587 13.554 3.433 1.00 0.61 N ATOM 786 CA GLU A 48 3.899 12.426 4.044 1.00 0.63 C ATOM 787 C GLU A 48 2.407 12.474 3.730 1.00 0.63 C ATOM 788 O GLU A 48 1.721 11.451 3.772 1.00 0.65 O ATOM 789 CB GLU A 48 4.117 12.430 5.561 1.00 0.76 C ATOM 790 CG GLU A 48 3.890 13.794 6.207 1.00 0.95 C ATOM 791 CD GLU A 48 3.805 13.725 7.715 1.00 1.21 C ATOM 792 OE1 GLU A 48 4.859 13.581 8.373 1.00 1.79 O ATOM 793 OE2 GLU A 48 2.682 13.820 8.250 1.00 1.86 O ATOM 0 H GLU A 48 4.326 14.461 3.819 1.00 0.61 H new ATOM 0 HA GLU A 48 4.312 11.506 3.630 1.00 0.63 H new ATOM 0 HB2 GLU A 48 3.444 11.704 6.018 1.00 0.76 H new ATOM 0 HB3 GLU A 48 5.134 12.101 5.774 1.00 0.76 H new ATOM 0 HG2 GLU A 48 4.702 14.464 5.924 1.00 0.95 H new ATOM 0 HG3 GLU A 48 2.969 14.227 5.816 1.00 0.95 H new ATOM 800 N GLU A 49 1.919 13.665 3.392 1.00 0.66 N ATOM 801 CA GLU A 49 0.513 13.867 3.068 1.00 0.74 C ATOM 802 C GLU A 49 0.123 13.020 1.865 1.00 0.68 C ATOM 803 O GLU A 49 -0.926 12.377 1.852 1.00 0.72 O ATOM 804 CB GLU A 49 0.247 15.346 2.770 1.00 0.86 C ATOM 805 CG GLU A 49 -1.223 15.730 2.812 1.00 1.10 C ATOM 806 CD GLU A 49 -1.710 15.977 4.220 1.00 1.32 C ATOM 807 OE1 GLU A 49 -1.545 17.111 4.717 1.00 1.81 O ATOM 808 OE2 GLU A 49 -2.262 15.044 4.835 1.00 1.69 O ATOM 0 H GLU A 49 2.485 14.512 3.336 1.00 0.66 H new ATOM 0 HA GLU A 49 -0.088 13.563 3.925 1.00 0.74 H new ATOM 0 HB2 GLU A 49 0.792 15.955 3.491 1.00 0.86 H new ATOM 0 HB3 GLU A 49 0.646 15.585 1.784 1.00 0.86 H new ATOM 0 HG2 GLU A 49 -1.379 16.627 2.213 1.00 1.10 H new ATOM 0 HG3 GLU A 49 -1.817 14.936 2.358 1.00 1.10 H new ATOM 815 N VAL A 50 1.001 12.998 0.871 1.00 0.63 N ATOM 816 CA VAL A 50 0.769 12.240 -0.352 1.00 0.60 C ATOM 817 C VAL A 50 0.731 10.734 -0.089 1.00 0.54 C ATOM 818 O VAL A 50 0.240 9.970 -0.913 1.00 0.54 O ATOM 819 CB VAL A 50 1.845 12.543 -1.418 1.00 0.64 C ATOM 820 CG1 VAL A 50 1.689 13.964 -1.939 1.00 0.75 C ATOM 821 CG2 VAL A 50 3.244 12.333 -0.850 1.00 0.62 C ATOM 0 H VAL A 50 1.888 13.501 0.889 1.00 0.63 H new ATOM 0 HA VAL A 50 -0.204 12.555 -0.728 1.00 0.60 H new ATOM 0 HB VAL A 50 1.708 11.851 -2.249 1.00 0.64 H new ATOM 0 HG11 VAL A 50 2.454 14.162 -2.689 1.00 0.75 H new ATOM 0 HG12 VAL A 50 0.702 14.081 -2.387 1.00 0.75 H new ATOM 0 HG13 VAL A 50 1.798 14.668 -1.114 1.00 0.75 H new ATOM 0 HG21 VAL A 50 3.985 12.552 -1.618 1.00 0.62 H new ATOM 0 HG22 VAL A 50 3.395 12.998 0.000 1.00 0.62 H new ATOM 0 HG23 VAL A 50 3.353 11.298 -0.525 1.00 0.62 H new ATOM 831 N LEU A 51 1.231 10.313 1.062 1.00 0.52 N ATOM 832 CA LEU A 51 1.252 8.897 1.402 1.00 0.50 C ATOM 833 C LEU A 51 -0.027 8.480 2.116 1.00 0.53 C ATOM 834 O LEU A 51 -0.636 7.470 1.769 1.00 0.55 O ATOM 835 CB LEU A 51 2.464 8.574 2.279 1.00 0.48 C ATOM 836 CG LEU A 51 3.826 8.910 1.667 1.00 0.46 C ATOM 837 CD1 LEU A 51 4.936 8.564 2.643 1.00 0.49 C ATOM 838 CD2 LEU A 51 4.023 8.172 0.351 1.00 0.47 C ATOM 0 H LEU A 51 1.626 10.927 1.774 1.00 0.52 H new ATOM 0 HA LEU A 51 1.324 8.335 0.471 1.00 0.50 H new ATOM 0 HB2 LEU A 51 2.364 9.115 3.220 1.00 0.48 H new ATOM 0 HB3 LEU A 51 2.445 7.511 2.519 1.00 0.48 H new ATOM 0 HG LEU A 51 3.860 9.980 1.463 1.00 0.46 H new ATOM 0 HD11 LEU A 51 5.901 8.807 2.198 1.00 0.49 H new ATOM 0 HD12 LEU A 51 4.805 9.137 3.561 1.00 0.49 H new ATOM 0 HD13 LEU A 51 4.900 7.499 2.872 1.00 0.49 H new ATOM 0 HD21 LEU A 51 4.998 8.426 -0.066 1.00 0.47 H new ATOM 0 HD22 LEU A 51 3.972 7.097 0.525 1.00 0.47 H new ATOM 0 HD23 LEU A 51 3.241 8.464 -0.350 1.00 0.47 H new ATOM 850 N ARG A 52 -0.451 9.273 3.096 1.00 0.59 N ATOM 851 CA ARG A 52 -1.651 8.946 3.864 1.00 0.66 C ATOM 852 C ARG A 52 -2.922 9.046 3.019 1.00 0.65 C ATOM 853 O ARG A 52 -3.925 8.408 3.333 1.00 0.69 O ATOM 854 CB ARG A 52 -1.768 9.818 5.129 1.00 0.79 C ATOM 855 CG ARG A 52 -1.523 11.307 4.922 1.00 0.97 C ATOM 856 CD ARG A 52 -2.747 12.030 4.379 1.00 1.22 C ATOM 857 NE ARG A 52 -3.960 11.740 5.145 1.00 1.50 N ATOM 858 CZ ARG A 52 -4.874 12.653 5.468 1.00 1.90 C ATOM 859 NH1 ARG A 52 -4.655 13.941 5.243 1.00 2.00 N ATOM 860 NH2 ARG A 52 -5.993 12.277 6.069 1.00 2.61 N ATOM 0 H ARG A 52 0.012 10.138 3.376 1.00 0.59 H new ATOM 0 HA ARG A 52 -1.547 7.907 4.176 1.00 0.66 H new ATOM 0 HB2 ARG A 52 -2.765 9.686 5.549 1.00 0.79 H new ATOM 0 HB3 ARG A 52 -1.058 9.450 5.870 1.00 0.79 H new ATOM 0 HG2 ARG A 52 -1.229 11.759 5.870 1.00 0.97 H new ATOM 0 HG3 ARG A 52 -0.690 11.442 4.232 1.00 0.97 H new ATOM 0 HD2 ARG A 52 -2.564 13.104 4.390 1.00 1.22 H new ATOM 0 HD3 ARG A 52 -2.902 11.743 3.339 1.00 1.22 H new ATOM 0 HE ARG A 52 -4.115 10.779 5.450 1.00 1.50 H new ATOM 0 HH11 ARG A 52 -3.778 14.243 4.818 1.00 2.00 H new ATOM 0 HH12 ARG A 52 -5.363 14.630 5.495 1.00 2.00 H new ATOM 0 HH21 ARG A 52 -6.151 11.292 6.282 1.00 2.61 H new ATOM 0 HH22 ARG A 52 -6.696 12.972 6.319 1.00 2.61 H new ATOM 874 N GLU A 53 -2.884 9.828 1.948 1.00 0.64 N ATOM 875 CA GLU A 53 -4.057 9.973 1.087 1.00 0.68 C ATOM 876 C GLU A 53 -4.107 8.857 0.049 1.00 0.65 C ATOM 877 O GLU A 53 -5.115 8.667 -0.634 1.00 0.78 O ATOM 878 CB GLU A 53 -4.074 11.340 0.406 1.00 0.72 C ATOM 879 CG GLU A 53 -2.921 11.562 -0.554 1.00 0.67 C ATOM 880 CD GLU A 53 -3.193 12.691 -1.518 1.00 0.81 C ATOM 881 OE1 GLU A 53 -3.532 13.803 -1.056 1.00 1.26 O ATOM 882 OE2 GLU A 53 -3.084 12.472 -2.738 1.00 1.35 O ATOM 0 H GLU A 53 -2.068 10.366 1.655 1.00 0.64 H new ATOM 0 HA GLU A 53 -4.944 9.898 1.716 1.00 0.68 H new ATOM 0 HB2 GLU A 53 -5.013 11.453 -0.136 1.00 0.72 H new ATOM 0 HB3 GLU A 53 -4.052 12.116 1.171 1.00 0.72 H new ATOM 0 HG2 GLU A 53 -2.015 11.780 0.012 1.00 0.67 H new ATOM 0 HG3 GLU A 53 -2.734 10.645 -1.114 1.00 0.67 H new ATOM 889 N GLN A 54 -3.005 8.131 -0.077 1.00 0.57 N ATOM 890 CA GLN A 54 -2.928 7.015 -1.009 1.00 0.58 C ATOM 891 C GLN A 54 -2.970 5.705 -0.235 1.00 0.57 C ATOM 892 O GLN A 54 -2.911 4.618 -0.808 1.00 0.60 O ATOM 893 CB GLN A 54 -1.650 7.097 -1.849 1.00 0.57 C ATOM 894 CG GLN A 54 -1.618 8.276 -2.810 1.00 0.64 C ATOM 895 CD GLN A 54 -2.659 8.170 -3.907 1.00 0.81 C ATOM 896 OE1 GLN A 54 -2.395 7.630 -4.978 1.00 1.13 O ATOM 897 NE2 GLN A 54 -3.849 8.685 -3.646 1.00 0.96 N ATOM 0 H GLN A 54 -2.151 8.295 0.455 1.00 0.57 H new ATOM 0 HA GLN A 54 -3.780 7.061 -1.687 1.00 0.58 H new ATOM 0 HB2 GLN A 54 -0.791 7.162 -1.181 1.00 0.57 H new ATOM 0 HB3 GLN A 54 -1.541 6.174 -2.418 1.00 0.57 H new ATOM 0 HG2 GLN A 54 -1.778 9.198 -2.251 1.00 0.64 H new ATOM 0 HG3 GLN A 54 -0.628 8.344 -3.261 1.00 0.64 H new ATOM 0 HE21 GLN A 54 -4.027 9.125 -2.743 1.00 0.96 H new ATOM 0 HE22 GLN A 54 -4.588 8.642 -4.347 1.00 0.96 H new ATOM 906 N ALA A 55 -3.072 5.829 1.082 1.00 0.58 N ATOM 907 CA ALA A 55 -3.136 4.674 1.960 1.00 0.60 C ATOM 908 C ALA A 55 -4.443 3.929 1.750 1.00 0.61 C ATOM 909 O ALA A 55 -5.521 4.523 1.797 1.00 0.68 O ATOM 910 CB ALA A 55 -2.988 5.107 3.410 1.00 0.65 C ATOM 0 H ALA A 55 -3.112 6.726 1.566 1.00 0.58 H new ATOM 0 HA ALA A 55 -2.314 4.000 1.719 1.00 0.60 H new ATOM 0 HB1 ALA A 55 -3.038 4.232 4.058 1.00 0.65 H new ATOM 0 HB2 ALA A 55 -2.028 5.604 3.545 1.00 0.65 H new ATOM 0 HB3 ALA A 55 -3.793 5.796 3.668 1.00 0.65 H new ATOM 916 N GLY A 56 -4.340 2.634 1.509 1.00 0.59 N ATOM 917 CA GLY A 56 -5.521 1.834 1.268 1.00 0.64 C ATOM 918 C GLY A 56 -5.962 1.918 -0.177 1.00 0.62 C ATOM 919 O GLY A 56 -7.086 1.548 -0.520 1.00 0.66 O ATOM 0 H GLY A 56 -3.459 2.121 1.476 1.00 0.59 H new ATOM 0 HA2 GLY A 56 -5.317 0.795 1.528 1.00 0.64 H new ATOM 0 HA3 GLY A 56 -6.329 2.172 1.916 1.00 0.64 H new ATOM 923 N GLY A 57 -5.074 2.418 -1.021 1.00 0.63 N ATOM 924 CA GLY A 57 -5.369 2.547 -2.430 1.00 0.65 C ATOM 925 C GLY A 57 -4.142 2.320 -3.285 1.00 0.59 C ATOM 926 O GLY A 57 -3.032 2.185 -2.764 1.00 0.55 O ATOM 0 H GLY A 57 -4.145 2.740 -0.750 1.00 0.63 H new ATOM 0 HA2 GLY A 57 -6.142 1.830 -2.706 1.00 0.65 H new ATOM 0 HA3 GLY A 57 -5.771 3.541 -2.628 1.00 0.65 H new ATOM 930 N ASP A 58 -4.343 2.265 -4.591 1.00 0.65 N ATOM 931 CA ASP A 58 -3.245 2.053 -5.529 1.00 0.62 C ATOM 932 C ASP A 58 -2.676 3.386 -5.989 1.00 0.61 C ATOM 933 O ASP A 58 -3.420 4.286 -6.380 1.00 0.71 O ATOM 934 CB ASP A 58 -3.709 1.233 -6.738 1.00 0.69 C ATOM 935 CG ASP A 58 -2.564 0.877 -7.675 1.00 0.99 C ATOM 936 OD1 ASP A 58 -2.157 1.744 -8.480 1.00 1.51 O ATOM 937 OD2 ASP A 58 -2.065 -0.271 -7.614 1.00 1.32 O ATOM 0 H ASP A 58 -5.258 2.364 -5.030 1.00 0.65 H new ATOM 0 HA ASP A 58 -2.464 1.494 -5.014 1.00 0.62 H new ATOM 0 HB2 ASP A 58 -4.187 0.318 -6.390 1.00 0.69 H new ATOM 0 HB3 ASP A 58 -4.462 1.797 -7.288 1.00 0.69 H new ATOM 942 N ALA A 59 -1.358 3.510 -5.935 1.00 0.55 N ATOM 943 CA ALA A 59 -0.697 4.741 -6.341 1.00 0.57 C ATOM 944 C ALA A 59 0.275 4.506 -7.492 1.00 0.54 C ATOM 945 O ALA A 59 1.189 5.303 -7.711 1.00 0.54 O ATOM 946 CB ALA A 59 0.030 5.362 -5.156 1.00 0.60 C ATOM 0 H ALA A 59 -0.727 2.775 -5.615 1.00 0.55 H new ATOM 0 HA ALA A 59 -1.465 5.430 -6.693 1.00 0.57 H new ATOM 0 HB1 ALA A 59 0.521 6.283 -5.472 1.00 0.60 H new ATOM 0 HB2 ALA A 59 -0.687 5.586 -4.366 1.00 0.60 H new ATOM 0 HB3 ALA A 59 0.777 4.663 -4.781 1.00 0.60 H new ATOM 952 N THR A 60 0.069 3.429 -8.240 1.00 0.56 N ATOM 953 CA THR A 60 0.940 3.100 -9.367 1.00 0.57 C ATOM 954 C THR A 60 0.919 4.199 -10.417 1.00 0.57 C ATOM 955 O THR A 60 1.957 4.570 -10.970 1.00 0.58 O ATOM 956 CB THR A 60 0.517 1.783 -10.028 1.00 0.64 C ATOM 957 OG1 THR A 60 0.211 0.820 -9.021 1.00 0.67 O ATOM 958 CG2 THR A 60 1.614 1.246 -10.931 1.00 0.71 C ATOM 0 H THR A 60 -0.692 2.767 -8.089 1.00 0.56 H new ATOM 0 HA THR A 60 1.949 2.999 -8.967 1.00 0.57 H new ATOM 0 HB THR A 60 -0.365 1.974 -10.639 1.00 0.64 H new ATOM 0 HG1 THR A 60 -0.181 0.024 -9.438 1.00 0.67 H new ATOM 0 HG21 THR A 60 1.286 0.311 -11.386 1.00 0.71 H new ATOM 0 HG22 THR A 60 1.830 1.974 -11.713 1.00 0.71 H new ATOM 0 HG23 THR A 60 2.514 1.067 -10.343 1.00 0.71 H new ATOM 966 N GLU A 61 -0.271 4.732 -10.663 1.00 0.62 N ATOM 967 CA GLU A 61 -0.466 5.790 -11.645 1.00 0.67 C ATOM 968 C GLU A 61 0.296 7.061 -11.265 1.00 0.63 C ATOM 969 O GLU A 61 0.544 7.919 -12.107 1.00 0.74 O ATOM 970 CB GLU A 61 -1.961 6.087 -11.793 1.00 0.78 C ATOM 971 CG GLU A 61 -2.688 6.239 -10.465 1.00 0.83 C ATOM 972 CD GLU A 61 -4.192 6.150 -10.610 1.00 1.06 C ATOM 973 OE1 GLU A 61 -4.807 7.140 -11.057 1.00 1.64 O ATOM 974 OE2 GLU A 61 -4.769 5.092 -10.278 1.00 1.48 O ATOM 0 H GLU A 61 -1.126 4.443 -10.188 1.00 0.62 H new ATOM 0 HA GLU A 61 -0.068 5.445 -12.599 1.00 0.67 H new ATOM 0 HB2 GLU A 61 -2.085 7.002 -12.372 1.00 0.78 H new ATOM 0 HB3 GLU A 61 -2.428 5.283 -12.363 1.00 0.78 H new ATOM 0 HG2 GLU A 61 -2.347 5.465 -9.778 1.00 0.83 H new ATOM 0 HG3 GLU A 61 -2.426 7.199 -10.020 1.00 0.83 H new ATOM 981 N ASN A 62 0.672 7.174 -9.997 1.00 0.56 N ATOM 982 CA ASN A 62 1.409 8.338 -9.518 1.00 0.55 C ATOM 983 C ASN A 62 2.890 7.997 -9.367 1.00 0.50 C ATOM 984 O ASN A 62 3.765 8.814 -9.659 1.00 0.50 O ATOM 985 CB ASN A 62 0.833 8.816 -8.184 1.00 0.58 C ATOM 986 CG ASN A 62 1.331 10.194 -7.792 1.00 0.82 C ATOM 987 OD1 ASN A 62 1.669 11.012 -8.644 1.00 1.28 O ATOM 988 ND2 ASN A 62 1.373 10.461 -6.498 1.00 1.32 N ATOM 0 H ASN A 62 0.479 6.474 -9.281 1.00 0.56 H new ATOM 0 HA ASN A 62 1.309 9.142 -10.247 1.00 0.55 H new ATOM 0 HB2 ASN A 62 -0.255 8.832 -8.247 1.00 0.58 H new ATOM 0 HB3 ASN A 62 1.096 8.103 -7.403 1.00 0.58 H new ATOM 0 HD21 ASN A 62 1.695 11.374 -6.176 1.00 1.32 H new ATOM 0 HD22 ASN A 62 1.084 9.754 -5.822 1.00 1.32 H new ATOM 995 N PHE A 63 3.155 6.770 -8.934 1.00 0.48 N ATOM 996 CA PHE A 63 4.513 6.274 -8.735 1.00 0.46 C ATOM 997 C PHE A 63 5.321 6.368 -10.028 1.00 0.49 C ATOM 998 O PHE A 63 6.457 6.851 -10.036 1.00 0.50 O ATOM 999 CB PHE A 63 4.449 4.815 -8.255 1.00 0.48 C ATOM 1000 CG PHE A 63 5.767 4.236 -7.822 1.00 0.51 C ATOM 1001 CD1 PHE A 63 6.228 4.411 -6.526 1.00 0.63 C ATOM 1002 CD2 PHE A 63 6.540 3.506 -8.710 1.00 0.70 C ATOM 1003 CE1 PHE A 63 7.435 3.872 -6.127 1.00 0.76 C ATOM 1004 CE2 PHE A 63 7.748 2.965 -8.318 1.00 0.77 C ATOM 1005 CZ PHE A 63 8.197 3.147 -7.025 1.00 0.73 C ATOM 0 H PHE A 63 2.431 6.087 -8.710 1.00 0.48 H new ATOM 0 HA PHE A 63 5.010 6.888 -7.984 1.00 0.46 H new ATOM 0 HB2 PHE A 63 3.749 4.752 -7.422 1.00 0.48 H new ATOM 0 HB3 PHE A 63 4.044 4.200 -9.059 1.00 0.48 H new ATOM 0 HD1 PHE A 63 5.636 4.975 -5.821 1.00 0.63 H new ATOM 0 HD2 PHE A 63 6.193 3.358 -9.722 1.00 0.70 H new ATOM 0 HE1 PHE A 63 7.784 4.016 -5.115 1.00 0.76 H new ATOM 0 HE2 PHE A 63 8.341 2.400 -9.022 1.00 0.77 H new ATOM 0 HZ PHE A 63 9.141 2.724 -6.716 1.00 0.73 H new ATOM 1015 N GLU A 64 4.714 5.929 -11.123 1.00 0.53 N ATOM 1016 CA GLU A 64 5.375 5.943 -12.423 1.00 0.58 C ATOM 1017 C GLU A 64 5.182 7.281 -13.137 1.00 0.57 C ATOM 1018 O GLU A 64 5.721 7.500 -14.222 1.00 0.65 O ATOM 1019 CB GLU A 64 4.841 4.805 -13.289 1.00 0.69 C ATOM 1020 CG GLU A 64 4.772 3.471 -12.560 1.00 1.08 C ATOM 1021 CD GLU A 64 4.297 2.338 -13.442 1.00 1.47 C ATOM 1022 OE1 GLU A 64 3.314 2.525 -14.188 1.00 1.89 O ATOM 1023 OE2 GLU A 64 4.908 1.246 -13.387 1.00 1.88 O ATOM 0 H GLU A 64 3.764 5.558 -11.137 1.00 0.53 H new ATOM 0 HA GLU A 64 6.444 5.805 -12.259 1.00 0.58 H new ATOM 0 HB2 GLU A 64 3.845 5.067 -13.646 1.00 0.69 H new ATOM 0 HB3 GLU A 64 5.477 4.698 -14.168 1.00 0.69 H new ATOM 0 HG2 GLU A 64 5.759 3.228 -12.166 1.00 1.08 H new ATOM 0 HG3 GLU A 64 4.101 3.565 -11.706 1.00 1.08 H new ATOM 1030 N ASP A 65 4.421 8.171 -12.520 1.00 0.54 N ATOM 1031 CA ASP A 65 4.161 9.484 -13.099 1.00 0.55 C ATOM 1032 C ASP A 65 5.238 10.472 -12.676 1.00 0.53 C ATOM 1033 O ASP A 65 5.780 11.212 -13.498 1.00 0.58 O ATOM 1034 CB ASP A 65 2.782 9.997 -12.681 1.00 0.57 C ATOM 1035 CG ASP A 65 2.300 11.144 -13.548 1.00 0.69 C ATOM 1036 OD1 ASP A 65 2.437 11.060 -14.789 1.00 0.88 O ATOM 1037 OD2 ASP A 65 1.774 12.138 -13.001 1.00 0.79 O ATOM 0 H ASP A 65 3.972 8.010 -11.619 1.00 0.54 H new ATOM 0 HA ASP A 65 4.179 9.387 -14.185 1.00 0.55 H new ATOM 0 HB2 ASP A 65 2.063 9.180 -12.733 1.00 0.57 H new ATOM 0 HB3 ASP A 65 2.819 10.323 -11.641 1.00 0.57 H new ATOM 1042 N VAL A 66 5.555 10.470 -11.390 1.00 0.50 N ATOM 1043 CA VAL A 66 6.574 11.364 -10.859 1.00 0.52 C ATOM 1044 C VAL A 66 7.973 10.852 -11.206 1.00 0.50 C ATOM 1045 O VAL A 66 8.888 11.636 -11.460 1.00 0.55 O ATOM 1046 CB VAL A 66 6.444 11.521 -9.328 1.00 0.56 C ATOM 1047 CG1 VAL A 66 7.498 12.477 -8.789 1.00 0.67 C ATOM 1048 CG2 VAL A 66 5.048 12.001 -8.957 1.00 0.60 C ATOM 0 H VAL A 66 5.123 9.861 -10.696 1.00 0.50 H new ATOM 0 HA VAL A 66 6.424 12.340 -11.320 1.00 0.52 H new ATOM 0 HB VAL A 66 6.607 10.544 -8.872 1.00 0.56 H new ATOM 0 HG11 VAL A 66 7.386 12.571 -7.709 1.00 0.67 H new ATOM 0 HG12 VAL A 66 8.491 12.091 -9.018 1.00 0.67 H new ATOM 0 HG13 VAL A 66 7.373 13.455 -9.253 1.00 0.67 H new ATOM 0 HG21 VAL A 66 4.975 12.106 -7.875 1.00 0.60 H new ATOM 0 HG22 VAL A 66 4.857 12.965 -9.429 1.00 0.60 H new ATOM 0 HG23 VAL A 66 4.310 11.276 -9.302 1.00 0.60 H new ATOM 1058 N GLY A 67 8.127 9.534 -11.240 1.00 0.50 N ATOM 1059 CA GLY A 67 9.418 8.948 -11.552 1.00 0.54 C ATOM 1060 C GLY A 67 10.201 8.619 -10.299 1.00 0.54 C ATOM 1061 O GLY A 67 10.233 9.411 -9.354 1.00 0.82 O ATOM 0 H GLY A 67 7.383 8.861 -11.058 1.00 0.50 H new ATOM 0 HA2 GLY A 67 9.274 8.041 -12.139 1.00 0.54 H new ATOM 0 HA3 GLY A 67 9.992 9.639 -12.169 1.00 0.54 H new ATOM 1065 N HIS A 68 10.820 7.448 -10.285 1.00 0.45 N ATOM 1066 CA HIS A 68 11.598 7.008 -9.135 1.00 0.42 C ATOM 1067 C HIS A 68 12.947 6.457 -9.575 1.00 0.47 C ATOM 1068 O HIS A 68 13.106 6.028 -10.716 1.00 0.58 O ATOM 1069 CB HIS A 68 10.831 5.940 -8.351 1.00 0.39 C ATOM 1070 CG HIS A 68 9.896 6.501 -7.322 1.00 0.36 C ATOM 1071 ND1 HIS A 68 8.648 7.026 -7.605 1.00 0.35 N ATOM 1072 CD2 HIS A 68 10.050 6.607 -5.980 1.00 0.41 C ATOM 1073 CE1 HIS A 68 8.103 7.425 -6.448 1.00 0.35 C ATOM 1074 NE2 HIS A 68 8.913 7.194 -5.437 1.00 0.40 N ATOM 0 H HIS A 68 10.799 6.784 -11.059 1.00 0.45 H new ATOM 0 HA HIS A 68 11.768 7.870 -8.490 1.00 0.42 H new ATOM 0 HB2 HIS A 68 10.262 5.328 -9.050 1.00 0.39 H new ATOM 0 HB3 HIS A 68 11.546 5.281 -7.858 1.00 0.39 H new ATOM 0 HD1 HIS A 68 8.220 7.097 -8.528 1.00 0.35 H new ATOM 0 HD2 HIS A 68 10.917 6.287 -5.422 1.00 0.41 H new ATOM 0 HE1 HIS A 68 7.126 7.877 -6.357 1.00 0.35 H new ATOM 1082 N SER A 69 13.909 6.475 -8.666 1.00 0.45 N ATOM 1083 CA SER A 69 15.242 5.981 -8.956 1.00 0.50 C ATOM 1084 C SER A 69 15.266 4.453 -8.966 1.00 0.50 C ATOM 1085 O SER A 69 14.396 3.799 -8.381 1.00 0.46 O ATOM 1086 CB SER A 69 16.225 6.526 -7.922 1.00 0.55 C ATOM 1087 OG SER A 69 15.552 6.887 -6.726 1.00 1.01 O ATOM 0 H SER A 69 13.788 6.829 -7.717 1.00 0.45 H new ATOM 0 HA SER A 69 15.537 6.325 -9.947 1.00 0.50 H new ATOM 0 HB2 SER A 69 16.984 5.775 -7.704 1.00 0.55 H new ATOM 0 HB3 SER A 69 16.743 7.394 -8.329 1.00 0.55 H new ATOM 0 HG SER A 69 16.200 7.232 -6.077 1.00 1.01 H new ATOM 1093 N THR A 70 16.270 3.890 -9.626 1.00 0.59 N ATOM 1094 CA THR A 70 16.420 2.446 -9.727 1.00 0.64 C ATOM 1095 C THR A 70 16.654 1.807 -8.358 1.00 0.61 C ATOM 1096 O THR A 70 16.271 0.660 -8.123 1.00 0.66 O ATOM 1097 CB THR A 70 17.589 2.097 -10.661 1.00 0.78 C ATOM 1098 OG1 THR A 70 17.750 3.140 -11.632 1.00 0.89 O ATOM 1099 CG2 THR A 70 17.345 0.770 -11.366 1.00 1.08 C ATOM 0 H THR A 70 16.999 4.419 -10.104 1.00 0.59 H new ATOM 0 HA THR A 70 15.491 2.048 -10.136 1.00 0.64 H new ATOM 0 HB THR A 70 18.496 2.004 -10.064 1.00 0.78 H new ATOM 0 HG1 THR A 70 18.496 2.920 -12.228 1.00 0.89 H new ATOM 0 HG21 THR A 70 18.187 0.546 -12.021 1.00 1.08 H new ATOM 0 HG22 THR A 70 17.241 -0.022 -10.625 1.00 1.08 H new ATOM 0 HG23 THR A 70 16.432 0.835 -11.958 1.00 1.08 H new ATOM 1107 N ASP A 71 17.279 2.550 -7.456 1.00 0.60 N ATOM 1108 CA ASP A 71 17.549 2.047 -6.115 1.00 0.61 C ATOM 1109 C ASP A 71 16.303 2.171 -5.244 1.00 0.54 C ATOM 1110 O ASP A 71 16.101 1.393 -4.313 1.00 0.56 O ATOM 1111 CB ASP A 71 18.717 2.809 -5.484 1.00 0.70 C ATOM 1112 CG ASP A 71 19.256 2.130 -4.240 1.00 0.97 C ATOM 1113 OD1 ASP A 71 19.296 0.879 -4.202 1.00 1.38 O ATOM 1114 OD2 ASP A 71 19.668 2.843 -3.303 1.00 1.29 O ATOM 0 H ASP A 71 17.608 3.500 -7.627 1.00 0.60 H new ATOM 0 HA ASP A 71 17.821 0.994 -6.187 1.00 0.61 H new ATOM 0 HB2 ASP A 71 19.519 2.907 -6.216 1.00 0.70 H new ATOM 0 HB3 ASP A 71 18.392 3.818 -5.230 1.00 0.70 H new ATOM 1119 N ALA A 72 15.453 3.141 -5.572 1.00 0.48 N ATOM 1120 CA ALA A 72 14.221 3.371 -4.825 1.00 0.44 C ATOM 1121 C ALA A 72 13.242 2.216 -5.016 1.00 0.42 C ATOM 1122 O ALA A 72 12.669 1.710 -4.053 1.00 0.43 O ATOM 1123 CB ALA A 72 13.571 4.683 -5.247 1.00 0.47 C ATOM 0 H ALA A 72 15.596 3.782 -6.353 1.00 0.48 H new ATOM 0 HA ALA A 72 14.480 3.433 -3.768 1.00 0.44 H new ATOM 0 HB1 ALA A 72 12.654 4.834 -4.678 1.00 0.47 H new ATOM 0 HB2 ALA A 72 14.258 5.507 -5.055 1.00 0.47 H new ATOM 0 HB3 ALA A 72 13.336 4.647 -6.311 1.00 0.47 H new ATOM 1129 N ARG A 73 13.072 1.785 -6.264 1.00 0.44 N ATOM 1130 CA ARG A 73 12.157 0.686 -6.573 1.00 0.48 C ATOM 1131 C ARG A 73 12.644 -0.628 -5.956 1.00 0.49 C ATOM 1132 O ARG A 73 11.849 -1.532 -5.691 1.00 0.56 O ATOM 1133 CB ARG A 73 11.970 0.541 -8.094 1.00 0.54 C ATOM 1134 CG ARG A 73 13.273 0.475 -8.881 1.00 0.68 C ATOM 1135 CD ARG A 73 13.564 -0.932 -9.385 1.00 0.74 C ATOM 1136 NE ARG A 73 12.790 -1.264 -10.582 1.00 0.90 N ATOM 1137 CZ ARG A 73 12.460 -2.504 -10.945 1.00 1.08 C ATOM 1138 NH1 ARG A 73 12.804 -3.539 -10.188 1.00 1.08 N ATOM 1139 NH2 ARG A 73 11.779 -2.708 -12.067 1.00 1.36 N ATOM 0 H ARG A 73 13.552 2.177 -7.074 1.00 0.44 H new ATOM 0 HA ARG A 73 11.189 0.923 -6.132 1.00 0.48 H new ATOM 0 HB2 ARG A 73 11.392 -0.362 -8.293 1.00 0.54 H new ATOM 0 HB3 ARG A 73 11.381 1.383 -8.458 1.00 0.54 H new ATOM 0 HG2 ARG A 73 13.220 1.160 -9.727 1.00 0.68 H new ATOM 0 HG3 ARG A 73 14.095 0.811 -8.250 1.00 0.68 H new ATOM 0 HD2 ARG A 73 14.627 -1.024 -9.606 1.00 0.74 H new ATOM 0 HD3 ARG A 73 13.338 -1.651 -8.598 1.00 0.74 H new ATOM 0 HE ARG A 73 12.483 -0.496 -11.178 1.00 0.90 H new ATOM 0 HH11 ARG A 73 13.324 -3.388 -9.323 1.00 1.08 H new ATOM 0 HH12 ARG A 73 12.549 -4.485 -10.471 1.00 1.08 H new ATOM 0 HH21 ARG A 73 11.509 -1.916 -12.651 1.00 1.36 H new ATOM 0 HH22 ARG A 73 11.526 -3.656 -12.345 1.00 1.36 H new ATOM 1153 N GLU A 74 13.947 -0.724 -5.715 1.00 0.47 N ATOM 1154 CA GLU A 74 14.525 -1.921 -5.120 1.00 0.51 C ATOM 1155 C GLU A 74 14.489 -1.831 -3.599 1.00 0.49 C ATOM 1156 O GLU A 74 14.717 -2.821 -2.900 1.00 0.55 O ATOM 1157 CB GLU A 74 15.958 -2.130 -5.607 1.00 0.57 C ATOM 1158 CG GLU A 74 16.050 -2.560 -7.064 1.00 0.65 C ATOM 1159 CD GLU A 74 15.136 -3.727 -7.388 1.00 0.75 C ATOM 1160 OE1 GLU A 74 15.568 -4.888 -7.242 1.00 1.01 O ATOM 1161 OE2 GLU A 74 13.981 -3.491 -7.794 1.00 0.84 O ATOM 0 H GLU A 74 14.621 0.012 -5.923 1.00 0.47 H new ATOM 0 HA GLU A 74 13.929 -2.779 -5.432 1.00 0.51 H new ATOM 0 HB2 GLU A 74 16.517 -1.203 -5.474 1.00 0.57 H new ATOM 0 HB3 GLU A 74 16.438 -2.884 -4.983 1.00 0.57 H new ATOM 0 HG2 GLU A 74 15.796 -1.716 -7.705 1.00 0.65 H new ATOM 0 HG3 GLU A 74 17.079 -2.835 -7.293 1.00 0.65 H new ATOM 1168 N LEU A 75 14.206 -0.638 -3.094 1.00 0.47 N ATOM 1169 CA LEU A 75 14.117 -0.410 -1.662 1.00 0.48 C ATOM 1170 C LEU A 75 12.763 -0.887 -1.160 1.00 0.43 C ATOM 1171 O LEU A 75 12.653 -1.482 -0.090 1.00 0.44 O ATOM 1172 CB LEU A 75 14.306 1.077 -1.347 1.00 0.53 C ATOM 1173 CG LEU A 75 14.381 1.424 0.141 1.00 0.56 C ATOM 1174 CD1 LEU A 75 15.693 0.949 0.736 1.00 0.65 C ATOM 1175 CD2 LEU A 75 14.217 2.920 0.347 1.00 0.61 C ATOM 0 H LEU A 75 14.033 0.192 -3.662 1.00 0.47 H new ATOM 0 HA LEU A 75 14.906 -0.969 -1.159 1.00 0.48 H new ATOM 0 HB2 LEU A 75 15.221 1.421 -1.830 1.00 0.53 H new ATOM 0 HB3 LEU A 75 13.482 1.634 -1.792 1.00 0.53 H new ATOM 0 HG LEU A 75 13.566 0.912 0.653 1.00 0.56 H new ATOM 0 HD11 LEU A 75 15.726 1.206 1.795 1.00 0.65 H new ATOM 0 HD12 LEU A 75 15.774 -0.132 0.622 1.00 0.65 H new ATOM 0 HD13 LEU A 75 16.523 1.432 0.219 1.00 0.65 H new ATOM 0 HD21 LEU A 75 14.273 3.149 1.411 1.00 0.61 H new ATOM 0 HD22 LEU A 75 15.011 3.449 -0.180 1.00 0.61 H new ATOM 0 HD23 LEU A 75 13.249 3.237 -0.042 1.00 0.61 H new ATOM 1187 N SER A 76 11.738 -0.648 -1.967 1.00 0.45 N ATOM 1188 CA SER A 76 10.379 -1.047 -1.634 1.00 0.46 C ATOM 1189 C SER A 76 10.209 -2.560 -1.740 1.00 0.43 C ATOM 1190 O SER A 76 9.207 -3.113 -1.293 1.00 0.45 O ATOM 1191 CB SER A 76 9.401 -0.343 -2.572 1.00 0.55 C ATOM 1192 OG SER A 76 10.056 0.059 -3.765 1.00 0.82 O ATOM 0 H SER A 76 11.825 -0.174 -2.866 1.00 0.45 H new ATOM 0 HA SER A 76 10.173 -0.758 -0.603 1.00 0.46 H new ATOM 0 HB2 SER A 76 8.574 -1.011 -2.812 1.00 0.55 H new ATOM 0 HB3 SER A 76 8.974 0.527 -2.074 1.00 0.55 H new ATOM 0 HG SER A 76 10.513 -0.711 -4.163 1.00 0.82 H new ATOM 1198 N LYS A 77 11.204 -3.222 -2.315 1.00 0.45 N ATOM 1199 CA LYS A 77 11.173 -4.667 -2.497 1.00 0.51 C ATOM 1200 C LYS A 77 11.113 -5.401 -1.158 1.00 0.47 C ATOM 1201 O LYS A 77 10.615 -6.518 -1.075 1.00 0.56 O ATOM 1202 CB LYS A 77 12.403 -5.115 -3.282 1.00 0.63 C ATOM 1203 CG LYS A 77 12.276 -6.505 -3.880 1.00 0.94 C ATOM 1204 CD LYS A 77 13.490 -6.853 -4.724 1.00 1.20 C ATOM 1205 CE LYS A 77 13.329 -8.196 -5.417 1.00 1.60 C ATOM 1206 NZ LYS A 77 14.349 -8.395 -6.479 1.00 1.89 N ATOM 0 H LYS A 77 12.051 -2.776 -2.667 1.00 0.45 H new ATOM 0 HA LYS A 77 10.270 -4.917 -3.055 1.00 0.51 H new ATOM 0 HB2 LYS A 77 12.591 -4.401 -4.084 1.00 0.63 H new ATOM 0 HB3 LYS A 77 13.271 -5.091 -2.624 1.00 0.63 H new ATOM 0 HG2 LYS A 77 12.163 -7.238 -3.082 1.00 0.94 H new ATOM 0 HG3 LYS A 77 11.376 -6.559 -4.493 1.00 0.94 H new ATOM 0 HD2 LYS A 77 13.649 -6.075 -5.471 1.00 1.20 H new ATOM 0 HD3 LYS A 77 14.378 -6.874 -4.092 1.00 1.20 H new ATOM 0 HE2 LYS A 77 13.409 -8.996 -4.681 1.00 1.60 H new ATOM 0 HE3 LYS A 77 12.332 -8.263 -5.853 1.00 1.60 H new ATOM 0 HZ1 LYS A 77 14.206 -9.322 -6.928 1.00 1.89 H new ATOM 0 HZ2 LYS A 77 14.256 -7.646 -7.194 1.00 1.89 H new ATOM 0 HZ3 LYS A 77 15.300 -8.357 -6.059 1.00 1.89 H new ATOM 1220 N THR A 78 11.615 -4.765 -0.109 1.00 0.42 N ATOM 1221 CA THR A 78 11.606 -5.373 1.214 1.00 0.48 C ATOM 1222 C THR A 78 10.395 -4.892 2.020 1.00 0.43 C ATOM 1223 O THR A 78 10.163 -5.339 3.145 1.00 0.53 O ATOM 1224 CB THR A 78 12.918 -5.060 1.976 1.00 0.59 C ATOM 1225 OG1 THR A 78 13.069 -5.927 3.112 1.00 0.84 O ATOM 1226 CG2 THR A 78 12.954 -3.608 2.435 1.00 0.63 C ATOM 0 H THR A 78 12.031 -3.834 -0.147 1.00 0.42 H new ATOM 0 HA THR A 78 11.533 -6.453 1.088 1.00 0.48 H new ATOM 0 HB THR A 78 13.744 -5.230 1.286 1.00 0.59 H new ATOM 0 HG1 THR A 78 13.963 -6.329 3.101 1.00 0.84 H new ATOM 0 HG21 THR A 78 13.886 -3.418 2.967 1.00 0.63 H new ATOM 0 HG22 THR A 78 12.890 -2.951 1.568 1.00 0.63 H new ATOM 0 HG23 THR A 78 12.112 -3.415 3.099 1.00 0.63 H new ATOM 1234 N PHE A 79 9.603 -4.005 1.424 1.00 0.36 N ATOM 1235 CA PHE A 79 8.429 -3.461 2.098 1.00 0.38 C ATOM 1236 C PHE A 79 7.174 -4.266 1.771 1.00 0.32 C ATOM 1237 O PHE A 79 6.128 -4.064 2.385 1.00 0.33 O ATOM 1238 CB PHE A 79 8.210 -1.995 1.716 1.00 0.46 C ATOM 1239 CG PHE A 79 9.274 -1.054 2.214 1.00 0.51 C ATOM 1240 CD1 PHE A 79 9.986 -1.322 3.375 1.00 0.96 C ATOM 1241 CD2 PHE A 79 9.561 0.104 1.511 1.00 1.10 C ATOM 1242 CE1 PHE A 79 10.962 -0.451 3.822 1.00 1.01 C ATOM 1243 CE2 PHE A 79 10.535 0.978 1.954 1.00 1.16 C ATOM 1244 CZ PHE A 79 11.238 0.699 3.111 1.00 0.70 C ATOM 0 H PHE A 79 9.752 -3.649 0.480 1.00 0.36 H new ATOM 0 HA PHE A 79 8.615 -3.528 3.170 1.00 0.38 H new ATOM 0 HB2 PHE A 79 8.156 -1.920 0.630 1.00 0.46 H new ATOM 0 HB3 PHE A 79 7.245 -1.671 2.106 1.00 0.46 H new ATOM 0 HD1 PHE A 79 9.775 -2.221 3.935 1.00 0.96 H new ATOM 0 HD2 PHE A 79 9.017 0.327 0.605 1.00 1.10 H new ATOM 0 HE1 PHE A 79 11.508 -0.671 4.727 1.00 1.01 H new ATOM 0 HE2 PHE A 79 10.747 1.879 1.397 1.00 1.16 H new ATOM 0 HZ PHE A 79 12.002 1.380 3.458 1.00 0.70 H new ATOM 1254 N ILE A 80 7.273 -5.170 0.805 1.00 0.38 N ATOM 1255 CA ILE A 80 6.129 -5.984 0.421 1.00 0.36 C ATOM 1256 C ILE A 80 5.874 -7.078 1.454 1.00 0.33 C ATOM 1257 O ILE A 80 6.766 -7.862 1.784 1.00 0.42 O ATOM 1258 CB ILE A 80 6.301 -6.611 -0.988 1.00 0.46 C ATOM 1259 CG1 ILE A 80 5.106 -7.514 -1.329 1.00 0.46 C ATOM 1260 CG2 ILE A 80 7.607 -7.393 -1.085 1.00 0.58 C ATOM 1261 CD1 ILE A 80 5.032 -7.904 -2.792 1.00 0.72 C ATOM 0 H ILE A 80 8.126 -5.357 0.278 1.00 0.38 H new ATOM 0 HA ILE A 80 5.266 -5.320 0.382 1.00 0.36 H new ATOM 0 HB ILE A 80 6.339 -5.799 -1.714 1.00 0.46 H new ATOM 0 HG12 ILE A 80 5.162 -8.419 -0.724 1.00 0.46 H new ATOM 0 HG13 ILE A 80 4.185 -7.002 -1.052 1.00 0.46 H new ATOM 0 HG21 ILE A 80 7.701 -7.821 -2.083 1.00 0.58 H new ATOM 0 HG22 ILE A 80 8.447 -6.724 -0.896 1.00 0.58 H new ATOM 0 HG23 ILE A 80 7.608 -8.193 -0.345 1.00 0.58 H new ATOM 0 HD11 ILE A 80 4.163 -8.541 -2.955 1.00 0.72 H new ATOM 0 HD12 ILE A 80 4.944 -7.006 -3.404 1.00 0.72 H new ATOM 0 HD13 ILE A 80 5.936 -8.445 -3.070 1.00 0.72 H new ATOM 1273 N ILE A 81 4.662 -7.099 1.992 1.00 0.28 N ATOM 1274 CA ILE A 81 4.285 -8.097 2.985 1.00 0.32 C ATOM 1275 C ILE A 81 3.142 -8.961 2.470 1.00 0.29 C ATOM 1276 O ILE A 81 2.759 -9.952 3.095 1.00 0.31 O ATOM 1277 CB ILE A 81 3.872 -7.461 4.339 1.00 0.42 C ATOM 1278 CG1 ILE A 81 2.527 -6.723 4.227 1.00 0.50 C ATOM 1279 CG2 ILE A 81 4.960 -6.527 4.850 1.00 0.43 C ATOM 1280 CD1 ILE A 81 2.618 -5.319 3.663 1.00 0.77 C ATOM 0 H ILE A 81 3.923 -6.436 1.758 1.00 0.28 H new ATOM 0 HA ILE A 81 5.169 -8.711 3.156 1.00 0.32 H new ATOM 0 HB ILE A 81 3.746 -8.269 5.060 1.00 0.42 H new ATOM 0 HG12 ILE A 81 1.858 -7.310 3.598 1.00 0.50 H new ATOM 0 HG13 ILE A 81 2.072 -6.673 5.216 1.00 0.50 H new ATOM 0 HG21 ILE A 81 4.650 -6.092 5.800 1.00 0.43 H new ATOM 0 HG22 ILE A 81 5.884 -7.088 4.992 1.00 0.43 H new ATOM 0 HG23 ILE A 81 5.127 -5.731 4.124 1.00 0.43 H new ATOM 0 HD11 ILE A 81 1.622 -4.878 3.622 1.00 0.77 H new ATOM 0 HD12 ILE A 81 3.258 -4.711 4.302 1.00 0.77 H new ATOM 0 HD13 ILE A 81 3.040 -5.357 2.659 1.00 0.77 H new ATOM 1292 N GLY A 82 2.598 -8.587 1.319 1.00 0.32 N ATOM 1293 CA GLY A 82 1.505 -9.339 0.756 1.00 0.35 C ATOM 1294 C GLY A 82 1.042 -8.800 -0.578 1.00 0.31 C ATOM 1295 O GLY A 82 1.663 -7.899 -1.147 1.00 0.34 O ATOM 0 H GLY A 82 2.896 -7.780 0.771 1.00 0.32 H new ATOM 0 HA2 GLY A 82 1.811 -10.378 0.635 1.00 0.35 H new ATOM 0 HA3 GLY A 82 0.668 -9.332 1.455 1.00 0.35 H new ATOM 1299 N GLU A 83 -0.057 -9.349 -1.066 1.00 0.30 N ATOM 1300 CA GLU A 83 -0.628 -8.949 -2.341 1.00 0.31 C ATOM 1301 C GLU A 83 -2.137 -8.783 -2.231 1.00 0.32 C ATOM 1302 O GLU A 83 -2.734 -9.099 -1.200 1.00 0.34 O ATOM 1303 CB GLU A 83 -0.319 -9.989 -3.415 1.00 0.37 C ATOM 1304 CG GLU A 83 1.041 -9.822 -4.063 1.00 0.61 C ATOM 1305 CD GLU A 83 1.192 -10.663 -5.316 1.00 0.54 C ATOM 1306 OE1 GLU A 83 0.165 -11.145 -5.844 1.00 0.72 O ATOM 1307 OE2 GLU A 83 2.336 -10.837 -5.779 1.00 0.86 O ATOM 0 H GLU A 83 -0.579 -10.085 -0.590 1.00 0.30 H new ATOM 0 HA GLU A 83 -0.182 -7.994 -2.618 1.00 0.31 H new ATOM 0 HB2 GLU A 83 -0.379 -10.983 -2.971 1.00 0.37 H new ATOM 0 HB3 GLU A 83 -1.087 -9.938 -4.187 1.00 0.37 H new ATOM 0 HG2 GLU A 83 1.195 -8.772 -4.313 1.00 0.61 H new ATOM 0 HG3 GLU A 83 1.817 -10.097 -3.349 1.00 0.61 H new ATOM 1314 N LEU A 84 -2.738 -8.285 -3.300 1.00 0.38 N ATOM 1315 CA LEU A 84 -4.177 -8.087 -3.352 1.00 0.44 C ATOM 1316 C LEU A 84 -4.853 -9.356 -3.842 1.00 0.40 C ATOM 1317 O LEU A 84 -4.294 -10.083 -4.669 1.00 0.39 O ATOM 1318 CB LEU A 84 -4.534 -6.926 -4.286 1.00 0.52 C ATOM 1319 CG LEU A 84 -4.624 -5.546 -3.627 1.00 0.49 C ATOM 1320 CD1 LEU A 84 -5.612 -5.563 -2.470 1.00 0.92 C ATOM 1321 CD2 LEU A 84 -3.255 -5.089 -3.152 1.00 0.87 C ATOM 0 H LEU A 84 -2.246 -8.009 -4.150 1.00 0.38 H new ATOM 0 HA LEU A 84 -4.527 -7.847 -2.348 1.00 0.44 H new ATOM 0 HB2 LEU A 84 -3.789 -6.881 -5.080 1.00 0.52 H new ATOM 0 HB3 LEU A 84 -5.491 -7.146 -4.759 1.00 0.52 H new ATOM 0 HG LEU A 84 -4.984 -4.837 -4.373 1.00 0.49 H new ATOM 0 HD11 LEU A 84 -5.659 -4.573 -2.017 1.00 0.92 H new ATOM 0 HD12 LEU A 84 -6.599 -5.841 -2.839 1.00 0.92 H new ATOM 0 HD13 LEU A 84 -5.286 -6.288 -1.724 1.00 0.92 H new ATOM 0 HD21 LEU A 84 -3.340 -4.107 -2.687 1.00 0.87 H new ATOM 0 HD22 LEU A 84 -2.865 -5.802 -2.425 1.00 0.87 H new ATOM 0 HD23 LEU A 84 -2.576 -5.030 -4.002 1.00 0.87 H new ATOM 1333 N HIS A 85 -6.045 -9.620 -3.326 1.00 0.45 N ATOM 1334 CA HIS A 85 -6.814 -10.795 -3.719 1.00 0.48 C ATOM 1335 C HIS A 85 -7.055 -10.783 -5.224 1.00 0.42 C ATOM 1336 O HIS A 85 -7.365 -9.736 -5.790 1.00 0.39 O ATOM 1337 CB HIS A 85 -8.156 -10.830 -2.983 1.00 0.61 C ATOM 1338 CG HIS A 85 -8.313 -12.005 -2.068 1.00 0.52 C ATOM 1339 ND1 HIS A 85 -9.137 -13.074 -2.347 1.00 1.22 N ATOM 1340 CD2 HIS A 85 -7.753 -12.273 -0.862 1.00 0.80 C ATOM 1341 CE1 HIS A 85 -9.078 -13.946 -1.356 1.00 1.48 C ATOM 1342 NE2 HIS A 85 -8.245 -13.483 -0.446 1.00 1.10 N ATOM 0 H HIS A 85 -6.504 -9.033 -2.630 1.00 0.45 H new ATOM 0 HA HIS A 85 -6.243 -11.685 -3.452 1.00 0.48 H new ATOM 0 HB2 HIS A 85 -8.266 -9.913 -2.404 1.00 0.61 H new ATOM 0 HB3 HIS A 85 -8.962 -10.842 -3.717 1.00 0.61 H new ATOM 0 HD1 HIS A 85 -9.705 -13.176 -3.188 1.00 1.22 H new ATOM 0 HD2 HIS A 85 -7.051 -11.649 -0.329 1.00 0.80 H new ATOM 0 HE1 HIS A 85 -9.620 -14.879 -1.301 1.00 1.48 H new ATOM 1351 N PRO A 86 -6.898 -11.936 -5.896 1.00 0.45 N ATOM 1352 CA PRO A 86 -7.114 -12.043 -7.345 1.00 0.44 C ATOM 1353 C PRO A 86 -8.524 -11.608 -7.735 1.00 0.40 C ATOM 1354 O PRO A 86 -8.736 -10.996 -8.784 1.00 0.42 O ATOM 1355 CB PRO A 86 -6.892 -13.534 -7.649 1.00 0.53 C ATOM 1356 CG PRO A 86 -6.934 -14.222 -6.329 1.00 0.57 C ATOM 1357 CD PRO A 86 -6.480 -13.216 -5.311 1.00 0.53 C ATOM 0 HA PRO A 86 -6.444 -11.395 -7.910 1.00 0.44 H new ATOM 0 HB2 PRO A 86 -7.664 -13.917 -8.316 1.00 0.53 H new ATOM 0 HB3 PRO A 86 -5.935 -13.695 -8.145 1.00 0.53 H new ATOM 0 HG2 PRO A 86 -7.942 -14.572 -6.106 1.00 0.57 H new ATOM 0 HG3 PRO A 86 -6.284 -15.097 -6.327 1.00 0.57 H new ATOM 0 HD2 PRO A 86 -6.946 -13.387 -4.340 1.00 0.53 H new ATOM 0 HD3 PRO A 86 -5.401 -13.256 -5.158 1.00 0.53 H new ATOM 1365 N ASP A 87 -9.478 -11.904 -6.859 1.00 0.41 N ATOM 1366 CA ASP A 87 -10.872 -11.541 -7.074 1.00 0.43 C ATOM 1367 C ASP A 87 -11.014 -10.025 -7.087 1.00 0.41 C ATOM 1368 O ASP A 87 -11.823 -9.465 -7.821 1.00 0.47 O ATOM 1369 CB ASP A 87 -11.756 -12.140 -5.974 1.00 0.55 C ATOM 1370 CG ASP A 87 -11.262 -13.490 -5.493 1.00 0.94 C ATOM 1371 OD1 ASP A 87 -10.394 -13.521 -4.590 1.00 1.28 O ATOM 1372 OD2 ASP A 87 -11.718 -14.526 -6.024 1.00 1.30 O ATOM 0 H ASP A 87 -9.307 -12.400 -5.984 1.00 0.41 H new ATOM 0 HA ASP A 87 -11.194 -11.940 -8.036 1.00 0.43 H new ATOM 0 HB2 ASP A 87 -11.795 -11.451 -5.130 1.00 0.55 H new ATOM 0 HB3 ASP A 87 -12.774 -12.243 -6.349 1.00 0.55 H new ATOM 1377 N ASP A 88 -10.184 -9.369 -6.293 1.00 0.42 N ATOM 1378 CA ASP A 88 -10.189 -7.916 -6.201 1.00 0.50 C ATOM 1379 C ASP A 88 -9.142 -7.340 -7.141 1.00 0.49 C ATOM 1380 O ASP A 88 -8.808 -6.159 -7.070 1.00 0.64 O ATOM 1381 CB ASP A 88 -9.887 -7.462 -4.768 1.00 0.60 C ATOM 1382 CG ASP A 88 -11.013 -7.762 -3.801 1.00 0.89 C ATOM 1383 OD1 ASP A 88 -12.188 -7.720 -4.214 1.00 1.22 O ATOM 1384 OD2 ASP A 88 -10.728 -8.043 -2.613 1.00 1.20 O ATOM 0 H ASP A 88 -9.492 -9.823 -5.697 1.00 0.42 H new ATOM 0 HA ASP A 88 -11.179 -7.556 -6.483 1.00 0.50 H new ATOM 0 HB2 ASP A 88 -8.978 -7.953 -4.421 1.00 0.60 H new ATOM 0 HB3 ASP A 88 -9.691 -6.390 -4.767 1.00 0.60 H new ATOM 1389 N ARG A 89 -8.626 -8.189 -8.025 1.00 0.44 N ATOM 1390 CA ARG A 89 -7.595 -7.783 -8.967 1.00 0.51 C ATOM 1391 C ARG A 89 -8.119 -7.765 -10.401 1.00 0.57 C ATOM 1392 O ARG A 89 -8.046 -6.742 -11.079 1.00 0.80 O ATOM 1393 CB ARG A 89 -6.394 -8.727 -8.864 1.00 0.56 C ATOM 1394 CG ARG A 89 -5.135 -8.198 -9.527 1.00 0.89 C ATOM 1395 CD ARG A 89 -4.016 -9.227 -9.481 1.00 0.88 C ATOM 1396 NE ARG A 89 -3.692 -9.629 -8.112 1.00 0.60 N ATOM 1397 CZ ARG A 89 -2.489 -10.057 -7.727 1.00 0.59 C ATOM 1398 NH1 ARG A 89 -1.488 -10.108 -8.596 1.00 0.77 N ATOM 1399 NH2 ARG A 89 -2.286 -10.418 -6.469 1.00 0.81 N ATOM 0 H ARG A 89 -8.908 -9.166 -8.106 1.00 0.44 H new ATOM 0 HA ARG A 89 -7.288 -6.769 -8.710 1.00 0.51 H new ATOM 0 HB2 ARG A 89 -6.185 -8.919 -7.812 1.00 0.56 H new ATOM 0 HB3 ARG A 89 -6.656 -9.683 -9.317 1.00 0.56 H new ATOM 0 HG2 ARG A 89 -5.349 -7.936 -10.563 1.00 0.89 H new ATOM 0 HG3 ARG A 89 -4.814 -7.285 -9.027 1.00 0.89 H new ATOM 0 HD2 ARG A 89 -4.308 -10.105 -10.056 1.00 0.88 H new ATOM 0 HD3 ARG A 89 -3.126 -8.815 -9.957 1.00 0.88 H new ATOM 0 HE ARG A 89 -4.430 -9.579 -7.410 1.00 0.60 H new ATOM 0 HH11 ARG A 89 -1.637 -9.819 -9.563 1.00 0.77 H new ATOM 0 HH12 ARG A 89 -0.570 -10.436 -8.297 1.00 0.77 H new ATOM 0 HH21 ARG A 89 -3.050 -10.369 -5.795 1.00 0.81 H new ATOM 0 HH22 ARG A 89 -1.366 -10.745 -6.174 1.00 0.81 H new ATOM 1413 N SER A 90 -8.649 -8.892 -10.870 1.00 0.50 N ATOM 1414 CA SER A 90 -9.151 -8.973 -12.239 1.00 0.59 C ATOM 1415 C SER A 90 -10.641 -9.313 -12.300 1.00 0.57 C ATOM 1416 O SER A 90 -11.153 -9.674 -13.359 1.00 0.88 O ATOM 1417 CB SER A 90 -8.344 -10.010 -13.027 1.00 0.71 C ATOM 1418 OG SER A 90 -6.955 -9.706 -12.992 1.00 1.16 O ATOM 0 H SER A 90 -8.741 -9.752 -10.330 1.00 0.50 H new ATOM 0 HA SER A 90 -9.030 -7.987 -12.687 1.00 0.59 H new ATOM 0 HB2 SER A 90 -8.514 -11.002 -12.609 1.00 0.71 H new ATOM 0 HB3 SER A 90 -8.689 -10.036 -14.061 1.00 0.71 H new ATOM 0 HG SER A 90 -6.459 -10.382 -13.500 1.00 1.16 H new ATOM 1424 N LYS A 91 -11.343 -9.189 -11.183 1.00 0.52 N ATOM 1425 CA LYS A 91 -12.770 -9.488 -11.169 1.00 0.49 C ATOM 1426 C LYS A 91 -13.571 -8.289 -10.679 1.00 0.51 C ATOM 1427 O LYS A 91 -14.432 -7.776 -11.396 1.00 0.59 O ATOM 1428 CB LYS A 91 -13.066 -10.716 -10.301 1.00 0.47 C ATOM 1429 CG LYS A 91 -12.226 -11.932 -10.662 1.00 1.02 C ATOM 1430 CD LYS A 91 -12.684 -13.175 -9.915 1.00 1.09 C ATOM 1431 CE LYS A 91 -11.594 -14.235 -9.873 1.00 1.24 C ATOM 1432 NZ LYS A 91 -11.173 -14.658 -11.234 1.00 1.76 N ATOM 0 H LYS A 91 -10.957 -8.889 -10.288 1.00 0.52 H new ATOM 0 HA LYS A 91 -13.072 -9.711 -12.192 1.00 0.49 H new ATOM 0 HB2 LYS A 91 -12.892 -10.462 -9.255 1.00 0.47 H new ATOM 0 HB3 LYS A 91 -14.121 -10.972 -10.396 1.00 0.47 H new ATOM 0 HG2 LYS A 91 -12.286 -12.110 -11.736 1.00 1.02 H new ATOM 0 HG3 LYS A 91 -11.180 -11.733 -10.430 1.00 1.02 H new ATOM 0 HD2 LYS A 91 -12.969 -12.905 -8.898 1.00 1.09 H new ATOM 0 HD3 LYS A 91 -13.572 -13.584 -10.397 1.00 1.09 H new ATOM 0 HE2 LYS A 91 -10.732 -13.846 -9.332 1.00 1.24 H new ATOM 0 HE3 LYS A 91 -11.953 -15.102 -9.319 1.00 1.24 H new ATOM 0 HZ1 LYS A 91 -10.517 -15.462 -11.160 1.00 1.76 H new ATOM 0 HZ2 LYS A 91 -12.009 -14.942 -11.783 1.00 1.76 H new ATOM 0 HZ3 LYS A 91 -10.697 -13.866 -11.712 1.00 1.76 H new ATOM 1446 N LEU A 92 -13.291 -7.864 -9.445 1.00 0.48 N ATOM 1447 CA LEU A 92 -13.963 -6.714 -8.827 1.00 0.55 C ATOM 1448 C LEU A 92 -15.460 -6.964 -8.670 1.00 0.58 C ATOM 1449 O LEU A 92 -16.249 -6.024 -8.559 1.00 0.72 O ATOM 1450 CB LEU A 92 -13.735 -5.430 -9.640 1.00 0.65 C ATOM 1451 CG LEU A 92 -12.346 -4.786 -9.514 1.00 0.78 C ATOM 1452 CD1 LEU A 92 -11.881 -4.765 -8.065 1.00 0.96 C ATOM 1453 CD2 LEU A 92 -11.333 -5.502 -10.394 1.00 0.90 C ATOM 0 H LEU A 92 -12.594 -8.305 -8.845 1.00 0.48 H new ATOM 0 HA LEU A 92 -13.525 -6.584 -7.837 1.00 0.55 H new ATOM 0 HB2 LEU A 92 -13.915 -5.654 -10.692 1.00 0.65 H new ATOM 0 HB3 LEU A 92 -14.482 -4.696 -9.338 1.00 0.65 H new ATOM 0 HG LEU A 92 -12.425 -3.754 -9.857 1.00 0.78 H new ATOM 0 HD11 LEU A 92 -10.895 -4.304 -8.006 1.00 0.96 H new ATOM 0 HD12 LEU A 92 -12.587 -4.191 -7.465 1.00 0.96 H new ATOM 0 HD13 LEU A 92 -11.828 -5.785 -7.685 1.00 0.96 H new ATOM 0 HD21 LEU A 92 -10.358 -5.027 -10.287 1.00 0.90 H new ATOM 0 HD22 LEU A 92 -11.263 -6.547 -10.092 1.00 0.90 H new ATOM 0 HD23 LEU A 92 -11.651 -5.446 -11.435 1.00 0.90 H new ATOM 1465 N SER A 93 -15.840 -8.232 -8.636 1.00 0.52 N ATOM 1466 CA SER A 93 -17.237 -8.610 -8.502 1.00 0.57 C ATOM 1467 C SER A 93 -17.654 -8.673 -7.032 1.00 0.58 C ATOM 1468 O SER A 93 -18.013 -9.734 -6.520 1.00 0.70 O ATOM 1469 CB SER A 93 -17.459 -9.962 -9.181 1.00 0.62 C ATOM 1470 OG SER A 93 -16.727 -10.043 -10.394 1.00 0.70 O ATOM 0 H SER A 93 -15.196 -9.020 -8.700 1.00 0.52 H new ATOM 0 HA SER A 93 -17.855 -7.853 -8.985 1.00 0.57 H new ATOM 0 HB2 SER A 93 -17.152 -10.765 -8.511 1.00 0.62 H new ATOM 0 HB3 SER A 93 -18.521 -10.103 -9.382 1.00 0.62 H new ATOM 0 HG SER A 93 -16.881 -10.916 -10.812 1.00 0.70 H new ATOM 1476 N LYS A 94 -17.606 -7.531 -6.361 1.00 0.57 N ATOM 1477 CA LYS A 94 -17.977 -7.449 -4.957 1.00 0.60 C ATOM 1478 C LYS A 94 -18.650 -6.112 -4.669 1.00 0.71 C ATOM 1479 O LYS A 94 -18.175 -5.067 -5.112 1.00 0.82 O ATOM 1480 CB LYS A 94 -16.744 -7.630 -4.067 1.00 0.56 C ATOM 1481 CG LYS A 94 -16.395 -9.090 -3.800 1.00 0.73 C ATOM 1482 CD LYS A 94 -14.942 -9.260 -3.377 1.00 0.75 C ATOM 1483 CE LYS A 94 -14.688 -8.717 -1.980 1.00 0.85 C ATOM 1484 NZ LYS A 94 -13.639 -7.661 -1.978 1.00 0.93 N ATOM 0 H LYS A 94 -17.312 -6.644 -6.770 1.00 0.57 H new ATOM 0 HA LYS A 94 -18.682 -8.250 -4.735 1.00 0.60 H new ATOM 0 HB2 LYS A 94 -15.891 -7.141 -4.538 1.00 0.56 H new ATOM 0 HB3 LYS A 94 -16.915 -7.126 -3.116 1.00 0.56 H new ATOM 0 HG2 LYS A 94 -17.048 -9.482 -3.020 1.00 0.73 H new ATOM 0 HG3 LYS A 94 -16.582 -9.678 -4.699 1.00 0.73 H new ATOM 0 HD2 LYS A 94 -14.676 -10.317 -3.409 1.00 0.75 H new ATOM 0 HD3 LYS A 94 -14.295 -8.747 -4.089 1.00 0.75 H new ATOM 0 HE2 LYS A 94 -15.614 -8.310 -1.575 1.00 0.85 H new ATOM 0 HE3 LYS A 94 -14.384 -9.532 -1.323 1.00 0.85 H new ATOM 0 HZ1 LYS A 94 -12.932 -7.876 -1.246 1.00 0.93 H new ATOM 0 HZ2 LYS A 94 -13.176 -7.630 -2.909 1.00 0.93 H new ATOM 0 HZ3 LYS A 94 -14.075 -6.738 -1.778 1.00 0.93 H new ATOM 1498 N PRO A 95 -19.776 -6.136 -3.942 1.00 0.78 N ATOM 1499 CA PRO A 95 -20.521 -4.920 -3.589 1.00 0.92 C ATOM 1500 C PRO A 95 -19.811 -4.089 -2.520 1.00 0.95 C ATOM 1501 O PRO A 95 -18.893 -4.572 -1.853 1.00 1.03 O ATOM 1502 CB PRO A 95 -21.846 -5.465 -3.049 1.00 1.04 C ATOM 1503 CG PRO A 95 -21.518 -6.820 -2.533 1.00 1.05 C ATOM 1504 CD PRO A 95 -20.423 -7.352 -3.413 1.00 0.84 C ATOM 0 HA PRO A 95 -20.632 -4.249 -4.440 1.00 0.92 H new ATOM 0 HB2 PRO A 95 -22.244 -4.827 -2.260 1.00 1.04 H new ATOM 0 HB3 PRO A 95 -22.603 -5.513 -3.832 1.00 1.04 H new ATOM 0 HG2 PRO A 95 -21.193 -6.772 -1.494 1.00 1.05 H new ATOM 0 HG3 PRO A 95 -22.392 -7.470 -2.564 1.00 1.05 H new ATOM 0 HD2 PRO A 95 -19.720 -7.967 -2.850 1.00 0.84 H new ATOM 0 HD3 PRO A 95 -20.821 -7.975 -4.214 1.00 0.84 H new ATOM 1512 N MET A 96 -20.238 -2.841 -2.356 1.00 1.06 N ATOM 1513 CA MET A 96 -19.632 -1.957 -1.366 1.00 1.14 C ATOM 1514 C MET A 96 -20.697 -1.308 -0.484 1.00 1.16 C ATOM 1515 O MET A 96 -20.725 -1.542 0.724 1.00 1.25 O ATOM 1516 CB MET A 96 -18.789 -0.881 -2.053 1.00 1.31 C ATOM 1517 CG MET A 96 -18.051 0.028 -1.082 1.00 1.38 C ATOM 1518 SD MET A 96 -17.118 1.330 -1.913 1.00 1.63 S ATOM 1519 CE MET A 96 -18.435 2.215 -2.746 1.00 1.94 C ATOM 0 H MET A 96 -20.997 -2.421 -2.892 1.00 1.06 H new ATOM 0 HA MET A 96 -18.984 -2.560 -0.731 1.00 1.14 H new ATOM 0 HB2 MET A 96 -18.064 -1.363 -2.709 1.00 1.31 H new ATOM 0 HB3 MET A 96 -19.436 -0.274 -2.686 1.00 1.31 H new ATOM 0 HG2 MET A 96 -18.769 0.482 -0.399 1.00 1.38 H new ATOM 0 HG3 MET A 96 -17.370 -0.571 -0.477 1.00 1.38 H new ATOM 0 HE1 MET A 96 -18.230 3.285 -2.716 1.00 1.94 H new ATOM 0 HE2 MET A 96 -18.495 1.886 -3.783 1.00 1.94 H new ATOM 0 HE3 MET A 96 -19.382 2.013 -2.246 1.00 1.94 H new ATOM 1529 N GLU A 97 -21.562 -0.491 -1.099 1.00 1.14 N ATOM 1530 CA GLU A 97 -22.645 0.208 -0.392 1.00 1.22 C ATOM 1531 C GLU A 97 -22.110 1.186 0.656 1.00 1.29 C ATOM 1532 O GLU A 97 -21.658 0.791 1.731 1.00 1.36 O ATOM 1533 CB GLU A 97 -23.604 -0.786 0.268 1.00 1.28 C ATOM 1534 CG GLU A 97 -24.525 -1.494 -0.712 1.00 1.50 C ATOM 1535 CD GLU A 97 -25.573 -2.344 -0.021 1.00 1.97 C ATOM 1536 OE1 GLU A 97 -26.521 -1.776 0.571 1.00 2.38 O ATOM 1537 OE2 GLU A 97 -25.464 -3.585 -0.078 1.00 2.57 O ATOM 0 H GLU A 97 -21.532 -0.296 -2.100 1.00 1.14 H new ATOM 0 HA GLU A 97 -23.188 0.782 -1.143 1.00 1.22 H new ATOM 0 HB2 GLU A 97 -23.023 -1.532 0.810 1.00 1.28 H new ATOM 0 HB3 GLU A 97 -24.210 -0.258 1.004 1.00 1.28 H new ATOM 0 HG2 GLU A 97 -25.020 -0.753 -1.339 1.00 1.50 H new ATOM 0 HG3 GLU A 97 -23.930 -2.124 -1.373 1.00 1.50 H new ATOM 1544 N THR A 98 -22.170 2.469 0.338 1.00 1.31 N ATOM 1545 CA THR A 98 -21.700 3.494 1.253 1.00 1.40 C ATOM 1546 C THR A 98 -22.652 4.694 1.245 1.00 1.39 C ATOM 1547 O THR A 98 -23.621 4.707 0.480 1.00 1.35 O ATOM 1548 CB THR A 98 -20.257 3.938 0.915 1.00 1.43 C ATOM 1549 OG1 THR A 98 -19.647 4.507 2.078 1.00 1.57 O ATOM 1550 CG2 THR A 98 -20.226 4.945 -0.230 1.00 1.37 C ATOM 0 H THR A 98 -22.539 2.824 -0.544 1.00 1.31 H new ATOM 0 HA THR A 98 -21.685 3.066 2.255 1.00 1.40 H new ATOM 0 HB THR A 98 -19.701 3.057 0.595 1.00 1.43 H new ATOM 0 HG1 THR A 98 -18.732 4.787 1.864 1.00 1.57 H new ATOM 0 HG21 THR A 98 -19.194 5.231 -0.435 1.00 1.37 H new ATOM 0 HG22 THR A 98 -20.662 4.495 -1.122 1.00 1.37 H new ATOM 0 HG23 THR A 98 -20.799 5.830 0.048 1.00 1.37 H new ATOM 1558 N LEU A 99 -22.371 5.682 2.103 1.00 1.46 N ATOM 1559 CA LEU A 99 -23.195 6.886 2.219 1.00 1.48 C ATOM 1560 C LEU A 99 -24.648 6.516 2.496 1.00 1.52 C ATOM 1561 O LEU A 99 -25.549 6.853 1.726 1.00 1.53 O ATOM 1562 CB LEU A 99 -23.096 7.744 0.950 1.00 1.43 C ATOM 1563 CG LEU A 99 -22.296 9.040 1.100 1.00 1.48 C ATOM 1564 CD1 LEU A 99 -22.141 9.727 -0.247 1.00 1.49 C ATOM 1565 CD2 LEU A 99 -22.967 9.974 2.102 1.00 1.61 C ATOM 0 H LEU A 99 -21.569 5.668 2.733 1.00 1.46 H new ATOM 0 HA LEU A 99 -22.818 7.472 3.057 1.00 1.48 H new ATOM 0 HB2 LEU A 99 -22.642 7.145 0.160 1.00 1.43 H new ATOM 0 HB3 LEU A 99 -24.104 7.994 0.621 1.00 1.43 H new ATOM 0 HG LEU A 99 -21.304 8.789 1.477 1.00 1.48 H new ATOM 0 HD11 LEU A 99 -21.570 10.647 -0.123 1.00 1.49 H new ATOM 0 HD12 LEU A 99 -21.616 9.064 -0.935 1.00 1.49 H new ATOM 0 HD13 LEU A 99 -23.126 9.963 -0.650 1.00 1.49 H new ATOM 0 HD21 LEU A 99 -22.382 10.889 2.194 1.00 1.61 H new ATOM 0 HD22 LEU A 99 -23.971 10.218 1.756 1.00 1.61 H new ATOM 0 HD23 LEU A 99 -23.027 9.483 3.073 1.00 1.61 H new ATOM 1577 N ILE A 100 -24.867 5.810 3.594 1.00 1.60 N ATOM 1578 CA ILE A 100 -26.206 5.380 3.966 1.00 1.68 C ATOM 1579 C ILE A 100 -26.851 6.369 4.929 1.00 1.72 C ATOM 1580 O ILE A 100 -28.062 6.598 4.881 1.00 1.83 O ATOM 1581 CB ILE A 100 -26.197 3.969 4.598 1.00 1.82 C ATOM 1582 CG1 ILE A 100 -25.261 3.913 5.811 1.00 1.79 C ATOM 1583 CG2 ILE A 100 -25.785 2.935 3.563 1.00 1.83 C ATOM 1584 CD1 ILE A 100 -25.504 2.721 6.715 1.00 1.79 C ATOM 0 H ILE A 100 -24.135 5.522 4.243 1.00 1.60 H new ATOM 0 HA ILE A 100 -26.794 5.343 3.049 1.00 1.68 H new ATOM 0 HB ILE A 100 -27.206 3.743 4.942 1.00 1.82 H new ATOM 0 HG12 ILE A 100 -24.229 3.888 5.461 1.00 1.79 H new ATOM 0 HG13 ILE A 100 -25.379 4.828 6.392 1.00 1.79 H new ATOM 0 HG21 ILE A 100 -25.782 1.945 4.019 1.00 1.83 H new ATOM 0 HG22 ILE A 100 -26.491 2.950 2.733 1.00 1.83 H new ATOM 0 HG23 ILE A 100 -24.786 3.167 3.194 1.00 1.83 H new ATOM 0 HD11 ILE A 100 -24.805 2.749 7.550 1.00 1.79 H new ATOM 0 HD12 ILE A 100 -26.525 2.755 7.095 1.00 1.79 H new ATOM 0 HD13 ILE A 100 -25.357 1.800 6.150 1.00 1.79 H new ATOM 1596 N THR A 101 -26.038 6.954 5.796 1.00 1.73 N ATOM 1597 CA THR A 101 -26.522 7.919 6.767 1.00 1.77 C ATOM 1598 C THR A 101 -25.815 9.259 6.594 1.00 1.85 C ATOM 1599 O THR A 101 -24.690 9.316 6.088 1.00 1.80 O ATOM 1600 CB THR A 101 -26.310 7.412 8.205 1.00 1.70 C ATOM 1601 OG1 THR A 101 -25.389 6.311 8.202 1.00 1.85 O ATOM 1602 CG2 THR A 101 -27.629 6.975 8.828 1.00 1.98 C ATOM 0 H THR A 101 -25.035 6.775 5.845 1.00 1.73 H new ATOM 0 HA THR A 101 -27.590 8.051 6.593 1.00 1.77 H new ATOM 0 HB THR A 101 -25.901 8.229 8.799 1.00 1.70 H new ATOM 0 HG1 THR A 101 -25.256 5.993 9.119 1.00 1.85 H new ATOM 0 HG21 THR A 101 -27.452 6.621 9.844 1.00 1.98 H new ATOM 0 HG22 THR A 101 -28.317 7.820 8.853 1.00 1.98 H new ATOM 0 HG23 THR A 101 -28.063 6.171 8.234 1.00 1.98 H new ATOM 1610 N THR A 102 -26.483 10.329 7.002 1.00 2.05 N ATOM 1611 CA THR A 102 -25.936 11.666 6.905 1.00 2.18 C ATOM 1612 C THR A 102 -24.699 11.821 7.783 1.00 2.11 C ATOM 1613 O THR A 102 -24.754 11.606 8.994 1.00 2.23 O ATOM 1614 CB THR A 102 -26.990 12.699 7.327 1.00 2.58 C ATOM 1615 OG1 THR A 102 -28.158 12.019 7.815 1.00 2.89 O ATOM 1616 CG2 THR A 102 -27.365 13.596 6.158 1.00 2.72 C ATOM 0 H THR A 102 -27.418 10.290 7.408 1.00 2.05 H new ATOM 0 HA THR A 102 -25.650 11.834 5.867 1.00 2.18 H new ATOM 0 HB THR A 102 -26.572 13.323 8.117 1.00 2.58 H new ATOM 0 HG1 THR A 102 -28.831 12.678 8.086 1.00 2.89 H new ATOM 0 HG21 THR A 102 -28.113 14.320 6.480 1.00 2.72 H new ATOM 0 HG22 THR A 102 -26.479 14.123 5.805 1.00 2.72 H new ATOM 0 HG23 THR A 102 -27.772 12.989 5.350 1.00 2.72 H new ATOM 1624 N VAL A 103 -23.584 12.175 7.164 1.00 2.05 N ATOM 1625 CA VAL A 103 -22.333 12.361 7.885 1.00 2.08 C ATOM 1626 C VAL A 103 -21.946 13.833 7.905 1.00 2.14 C ATOM 1627 O VAL A 103 -20.799 14.186 8.180 1.00 2.25 O ATOM 1628 CB VAL A 103 -21.187 11.536 7.261 1.00 1.94 C ATOM 1629 CG1 VAL A 103 -21.360 10.059 7.581 1.00 2.09 C ATOM 1630 CG2 VAL A 103 -21.109 11.758 5.755 1.00 1.94 C ATOM 0 H VAL A 103 -23.519 12.340 6.160 1.00 2.05 H new ATOM 0 HA VAL A 103 -22.491 12.010 8.905 1.00 2.08 H new ATOM 0 HB VAL A 103 -20.247 11.876 7.697 1.00 1.94 H new ATOM 0 HG11 VAL A 103 -20.544 9.492 7.134 1.00 2.09 H new ATOM 0 HG12 VAL A 103 -21.351 9.917 8.662 1.00 2.09 H new ATOM 0 HG13 VAL A 103 -22.310 9.708 7.177 1.00 2.09 H new ATOM 0 HG21 VAL A 103 -20.293 11.165 5.342 1.00 1.94 H new ATOM 0 HG22 VAL A 103 -22.049 11.454 5.293 1.00 1.94 H new ATOM 0 HG23 VAL A 103 -20.929 12.814 5.552 1.00 1.94 H new ATOM 1640 N ASP A 104 -22.921 14.686 7.633 1.00 2.18 N ATOM 1641 CA ASP A 104 -22.708 16.123 7.610 1.00 2.30 C ATOM 1642 C ASP A 104 -23.872 16.818 8.291 1.00 2.65 C ATOM 1643 O ASP A 104 -24.890 16.145 8.548 1.00 2.86 O ATOM 1644 CB ASP A 104 -22.560 16.629 6.168 1.00 2.32 C ATOM 1645 CG ASP A 104 -23.894 16.881 5.484 1.00 2.40 C ATOM 1646 OD1 ASP A 104 -24.648 15.907 5.257 1.00 2.54 O ATOM 1647 OD2 ASP A 104 -24.187 18.050 5.151 1.00 2.82 O ATOM 0 H ASP A 104 -23.878 14.403 7.423 1.00 2.18 H new ATOM 0 HA ASP A 104 -21.786 16.350 8.145 1.00 2.30 H new ATOM 0 HB2 ASP A 104 -21.980 17.552 6.171 1.00 2.32 H new ATOM 0 HB3 ASP A 104 -21.994 15.899 5.589 1.00 2.32 H new