USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 608 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.117 K(o=-0.12,f=-2.2!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.118 USER MOD Single : A 16 GLN : amide:sc= -4.38! C(o=-4.4!,f=-5.9!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.878 K(o=-0.88,f=-1.9!) USER MOD Single : A 21 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.0376) USER MOD Single : A 35 CYS SG : rot -133:sc= -1.15 USER MOD Single : A 37 SER OG : rot 180:sc= -0.0173 USER MOD Single : A 38 THR OG1 : rot -82:sc= 0.762 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -179:sc= -0.0476 (180deg=-0.0478) USER MOD Single : A 47 MET CE :methyl 161:sc= -0.24 (180deg=-1.77!) USER MOD Single : A 50 GLN : amide:sc= -0.524 X(o=-0.52,f=-0.53) USER MOD Single : A 51 ASN : amide:sc= 0.275 K(o=0.27,f=-0.81) USER MOD Single : A 53 THR OG1 : rot -160:sc= -0.749 USER MOD Single : A 58 GLN : amide:sc= -0.0179 X(o=-0.018,f=-0.19) USER MOD Single : A 60 MET CE :methyl -151:sc= -0.0478 (180deg=-1.21) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 148:sc= -1.81 (180deg=-6.34!) USER MOD Single : A 81 MET CE :methyl -126:sc= -0.48 (180deg=-4.92!) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -159:sc= -0.0506 (180deg=-0.847) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE A 4 83.053 1.209 4.340 1.00 0.90 N ATOM 45 CA ILE A 4 82.705 -0.240 4.376 1.00 0.89 C ATOM 46 C ILE A 4 81.460 -0.498 3.523 1.00 0.82 C ATOM 47 O ILE A 4 81.182 -1.614 3.133 1.00 0.85 O ATOM 48 CB ILE A 4 82.426 -0.547 5.849 1.00 0.85 C ATOM 49 CG1 ILE A 4 81.058 0.016 6.244 1.00 1.02 C ATOM 50 CG2 ILE A 4 83.507 0.099 6.716 1.00 0.75 C ATOM 51 CD1 ILE A 4 80.802 -0.253 7.728 1.00 1.74 C ATOM 0 HA ILE A 4 83.501 -0.870 3.978 1.00 0.89 H new ATOM 0 HB ILE A 4 82.430 -1.627 5.999 1.00 0.85 H new ATOM 0 HG12 ILE A 4 81.024 1.088 6.047 1.00 1.02 H new ATOM 0 HG13 ILE A 4 80.276 -0.444 5.640 1.00 1.02 H new ATOM 0 HG21 ILE A 4 83.310 -0.119 7.766 1.00 0.75 H new ATOM 0 HG22 ILE A 4 84.482 -0.301 6.439 1.00 0.75 H new ATOM 0 HG23 ILE A 4 83.500 1.178 6.562 1.00 0.75 H new ATOM 0 HD11 ILE A 4 79.828 0.148 8.008 1.00 1.74 H new ATOM 0 HD12 ILE A 4 80.818 -1.327 7.911 1.00 1.74 H new ATOM 0 HD13 ILE A 4 81.577 0.228 8.324 1.00 1.74 H new ATOM 63 N TYR A 5 80.712 0.529 3.234 1.00 0.78 N ATOM 64 CA TYR A 5 79.484 0.350 2.406 1.00 0.78 C ATOM 65 C TYR A 5 79.792 -0.535 1.195 1.00 0.92 C ATOM 66 O TYR A 5 79.228 -1.598 1.030 1.00 0.99 O ATOM 67 CB TYR A 5 79.093 1.759 1.955 1.00 0.78 C ATOM 68 CG TYR A 5 79.046 2.688 3.149 1.00 0.92 C ATOM 69 CD1 TYR A 5 78.921 2.168 4.444 1.00 1.31 C ATOM 70 CD2 TYR A 5 79.127 4.073 2.959 1.00 1.77 C ATOM 71 CE1 TYR A 5 78.879 3.031 5.545 1.00 1.36 C ATOM 72 CE2 TYR A 5 79.084 4.936 4.060 1.00 2.00 C ATOM 73 CZ TYR A 5 78.960 4.415 5.353 1.00 1.35 C ATOM 74 OH TYR A 5 78.918 5.266 6.438 1.00 1.60 O ATOM 0 H TYR A 5 80.897 1.486 3.535 1.00 0.78 H new ATOM 0 HA TYR A 5 78.680 -0.134 2.961 1.00 0.78 H new ATOM 0 HB2 TYR A 5 79.812 2.129 1.224 1.00 0.78 H new ATOM 0 HB3 TYR A 5 78.121 1.736 1.463 1.00 0.78 H new ATOM 0 HD1 TYR A 5 78.857 1.100 4.593 1.00 1.31 H new ATOM 0 HD2 TYR A 5 79.223 4.476 1.962 1.00 1.77 H new ATOM 0 HE1 TYR A 5 78.784 2.629 6.543 1.00 1.36 H new ATOM 0 HE2 TYR A 5 79.147 6.004 3.912 1.00 2.00 H new ATOM 0 HH TYR A 5 78.987 6.193 6.129 1.00 1.60 H new ATOM 84 N LYS A 6 80.686 -0.104 0.347 1.00 1.02 N ATOM 85 CA LYS A 6 81.030 -0.923 -0.850 1.00 1.19 C ATOM 86 C LYS A 6 81.251 -2.382 -0.441 1.00 1.15 C ATOM 87 O LYS A 6 80.939 -3.298 -1.177 1.00 1.19 O ATOM 88 CB LYS A 6 82.324 -0.313 -1.390 1.00 1.38 C ATOM 89 CG LYS A 6 83.455 -0.540 -0.384 1.00 1.86 C ATOM 90 CD LYS A 6 84.564 0.487 -0.622 1.00 1.94 C ATOM 91 CE LYS A 6 85.670 -0.144 -1.472 1.00 2.16 C ATOM 92 NZ LYS A 6 86.493 1.004 -1.945 1.00 2.91 N ATOM 0 H LYS A 6 81.192 0.778 0.431 1.00 1.02 H new ATOM 0 HA LYS A 6 80.237 -0.918 -1.598 1.00 1.19 H new ATOM 0 HB2 LYS A 6 82.579 -0.765 -2.348 1.00 1.38 H new ATOM 0 HB3 LYS A 6 82.189 0.754 -1.567 1.00 1.38 H new ATOM 0 HG2 LYS A 6 83.074 -0.451 0.633 1.00 1.86 H new ATOM 0 HG3 LYS A 6 83.852 -1.550 -0.488 1.00 1.86 H new ATOM 0 HD2 LYS A 6 84.159 1.365 -1.126 1.00 1.94 H new ATOM 0 HD3 LYS A 6 84.971 0.826 0.331 1.00 1.94 H new ATOM 0 HE2 LYS A 6 86.267 -0.844 -0.887 1.00 2.16 H new ATOM 0 HE3 LYS A 6 85.254 -0.703 -2.310 1.00 2.16 H new ATOM 0 HZ1 LYS A 6 87.273 0.652 -2.536 1.00 2.91 H new ATOM 0 HZ2 LYS A 6 85.900 1.649 -2.504 1.00 2.91 H new ATOM 0 HZ3 LYS A 6 86.882 1.513 -1.126 1.00 2.91 H new ATOM 106 N ALA A 7 81.785 -2.603 0.728 1.00 1.13 N ATOM 107 CA ALA A 7 82.024 -4.003 1.186 1.00 1.14 C ATOM 108 C ALA A 7 80.706 -4.642 1.633 1.00 1.06 C ATOM 109 O ALA A 7 80.605 -5.844 1.774 1.00 1.10 O ATOM 110 CB ALA A 7 82.986 -3.874 2.367 1.00 1.20 C ATOM 0 H ALA A 7 82.066 -1.877 1.386 1.00 1.13 H new ATOM 0 HA ALA A 7 82.432 -4.634 0.396 1.00 1.14 H new ATOM 0 HB1 ALA A 7 83.212 -4.864 2.762 1.00 1.20 H new ATOM 0 HB2 ALA A 7 83.908 -3.397 2.035 1.00 1.20 H new ATOM 0 HB3 ALA A 7 82.525 -3.269 3.147 1.00 1.20 H new ATOM 116 N ALA A 8 79.697 -3.846 1.855 1.00 0.99 N ATOM 117 CA ALA A 8 78.387 -4.408 2.292 1.00 0.95 C ATOM 118 C ALA A 8 77.821 -5.329 1.208 1.00 0.95 C ATOM 119 O ALA A 8 77.260 -6.370 1.493 1.00 1.02 O ATOM 120 CB ALA A 8 77.480 -3.193 2.489 1.00 0.91 C ATOM 0 H ALA A 8 79.722 -2.831 1.753 1.00 0.99 H new ATOM 0 HA ALA A 8 78.475 -5.002 3.202 1.00 0.95 H new ATOM 0 HB1 ALA A 8 76.493 -3.524 2.812 1.00 0.91 H new ATOM 0 HB2 ALA A 8 77.909 -2.538 3.247 1.00 0.91 H new ATOM 0 HB3 ALA A 8 77.390 -2.650 1.548 1.00 0.91 H new ATOM 126 N VAL A 9 77.964 -4.956 -0.034 1.00 0.97 N ATOM 127 CA VAL A 9 77.437 -5.811 -1.135 1.00 1.07 C ATOM 128 C VAL A 9 78.411 -6.955 -1.425 1.00 1.16 C ATOM 129 O VAL A 9 78.013 -8.082 -1.644 1.00 1.18 O ATOM 130 CB VAL A 9 77.329 -4.879 -2.342 1.00 1.21 C ATOM 131 CG1 VAL A 9 76.503 -5.554 -3.439 1.00 1.89 C ATOM 132 CG2 VAL A 9 76.644 -3.577 -1.919 1.00 1.49 C ATOM 0 H VAL A 9 78.423 -4.096 -0.334 1.00 0.97 H new ATOM 0 HA VAL A 9 76.478 -6.265 -0.885 1.00 1.07 H new ATOM 0 HB VAL A 9 78.327 -4.661 -2.722 1.00 1.21 H new ATOM 0 HG11 VAL A 9 76.427 -4.888 -4.299 1.00 1.89 H new ATOM 0 HG12 VAL A 9 76.988 -6.482 -3.741 1.00 1.89 H new ATOM 0 HG13 VAL A 9 75.505 -5.773 -3.060 1.00 1.89 H new ATOM 0 HG21 VAL A 9 76.566 -2.911 -2.778 1.00 1.49 H new ATOM 0 HG22 VAL A 9 75.646 -3.797 -1.539 1.00 1.49 H new ATOM 0 HG23 VAL A 9 77.231 -3.094 -1.138 1.00 1.49 H new ATOM 142 N GLU A 10 79.685 -6.676 -1.423 1.00 1.28 N ATOM 143 CA GLU A 10 80.686 -7.747 -1.695 1.00 1.44 C ATOM 144 C GLU A 10 80.381 -8.984 -0.847 1.00 1.41 C ATOM 145 O GLU A 10 80.690 -10.098 -1.222 1.00 1.54 O ATOM 146 CB GLU A 10 82.031 -7.142 -1.294 1.00 1.68 C ATOM 147 CG GLU A 10 82.942 -7.053 -2.520 1.00 2.16 C ATOM 148 CD GLU A 10 82.965 -8.403 -3.239 1.00 2.64 C ATOM 149 OE1 GLU A 10 82.932 -9.415 -2.559 1.00 3.13 O ATOM 150 OE2 GLU A 10 83.015 -8.402 -4.458 1.00 3.13 O ATOM 0 H GLU A 10 80.077 -5.751 -1.245 1.00 1.28 H new ATOM 0 HA GLU A 10 80.676 -8.066 -2.737 1.00 1.44 H new ATOM 0 HB2 GLU A 10 81.882 -6.150 -0.867 1.00 1.68 H new ATOM 0 HB3 GLU A 10 82.501 -7.753 -0.524 1.00 1.68 H new ATOM 0 HG2 GLU A 10 82.585 -6.275 -3.195 1.00 2.16 H new ATOM 0 HG3 GLU A 10 83.951 -6.773 -2.217 1.00 2.16 H new ATOM 157 N GLN A 11 79.778 -8.797 0.295 1.00 1.37 N ATOM 158 CA GLN A 11 79.455 -9.962 1.169 1.00 1.43 C ATOM 159 C GLN A 11 78.158 -10.630 0.705 1.00 1.24 C ATOM 160 O GLN A 11 78.033 -11.839 0.715 1.00 1.31 O ATOM 161 CB GLN A 11 79.281 -9.370 2.568 1.00 1.58 C ATOM 162 CG GLN A 11 80.340 -9.952 3.506 1.00 1.88 C ATOM 163 CD GLN A 11 80.481 -9.055 4.737 1.00 2.09 C ATOM 164 OE1 GLN A 11 80.170 -7.882 4.687 1.00 2.64 O ATOM 165 NE2 GLN A 11 80.939 -9.561 5.848 1.00 2.48 N ATOM 0 H GLN A 11 79.495 -7.888 0.661 1.00 1.37 H new ATOM 0 HA GLN A 11 80.232 -10.726 1.142 1.00 1.43 H new ATOM 0 HB2 GLN A 11 79.372 -8.285 2.529 1.00 1.58 H new ATOM 0 HB3 GLN A 11 78.283 -9.592 2.947 1.00 1.58 H new ATOM 0 HG2 GLN A 11 80.058 -10.961 3.808 1.00 1.88 H new ATOM 0 HG3 GLN A 11 81.296 -10.030 2.988 1.00 1.88 H new ATOM 0 HE21 GLN A 11 81.200 -10.546 5.890 1.00 2.48 H new ATOM 0 HE22 GLN A 11 81.036 -8.972 6.675 1.00 2.48 H new ATOM 174 N LEU A 12 77.192 -9.854 0.299 1.00 1.24 N ATOM 175 CA LEU A 12 75.904 -10.447 -0.164 1.00 1.13 C ATOM 176 C LEU A 12 76.126 -11.273 -1.434 1.00 1.02 C ATOM 177 O LEU A 12 76.931 -10.930 -2.277 1.00 1.28 O ATOM 178 CB LEU A 12 74.998 -9.250 -0.452 1.00 1.12 C ATOM 179 CG LEU A 12 74.851 -8.406 0.815 1.00 1.28 C ATOM 180 CD1 LEU A 12 74.318 -7.020 0.449 1.00 2.02 C ATOM 181 CD2 LEU A 12 73.872 -9.091 1.772 1.00 1.49 C ATOM 0 H LEU A 12 77.238 -8.836 0.267 1.00 1.24 H new ATOM 0 HA LEU A 12 75.469 -11.118 0.576 1.00 1.13 H new ATOM 0 HB2 LEU A 12 75.419 -8.647 -1.257 1.00 1.12 H new ATOM 0 HB3 LEU A 12 74.020 -9.593 -0.789 1.00 1.12 H new ATOM 0 HG LEU A 12 75.823 -8.305 1.297 1.00 1.28 H new ATOM 0 HD11 LEU A 12 74.214 -6.420 1.353 1.00 2.02 H new ATOM 0 HD12 LEU A 12 75.014 -6.531 -0.233 1.00 2.02 H new ATOM 0 HD13 LEU A 12 73.346 -7.120 -0.034 1.00 2.02 H new ATOM 0 HD21 LEU A 12 73.766 -8.491 2.676 1.00 1.49 H new ATOM 0 HD22 LEU A 12 72.901 -9.192 1.288 1.00 1.49 H new ATOM 0 HD23 LEU A 12 74.251 -10.079 2.035 1.00 1.49 H new ATOM 193 N THR A 13 75.418 -12.360 -1.576 1.00 0.93 N ATOM 194 CA THR A 13 75.589 -13.209 -2.790 1.00 0.93 C ATOM 195 C THR A 13 74.610 -12.772 -3.883 1.00 0.88 C ATOM 196 O THR A 13 73.851 -11.840 -3.713 1.00 0.86 O ATOM 197 CB THR A 13 75.275 -14.633 -2.326 1.00 1.03 C ATOM 198 OG1 THR A 13 74.429 -14.581 -1.186 1.00 1.13 O ATOM 199 CG2 THR A 13 76.575 -15.353 -1.967 1.00 1.20 C ATOM 0 H THR A 13 74.729 -12.697 -0.904 1.00 0.93 H new ATOM 0 HA THR A 13 76.591 -13.130 -3.211 1.00 0.93 H new ATOM 0 HB THR A 13 74.773 -15.175 -3.127 1.00 1.03 H new ATOM 0 HG1 THR A 13 74.225 -15.492 -0.888 1.00 1.13 H new ATOM 0 HG21 THR A 13 76.350 -16.367 -1.637 1.00 1.20 H new ATOM 0 HG22 THR A 13 77.223 -15.392 -2.843 1.00 1.20 H new ATOM 0 HG23 THR A 13 77.080 -14.814 -1.165 1.00 1.20 H new ATOM 207 N GLU A 14 74.622 -13.439 -5.005 1.00 0.88 N ATOM 208 CA GLU A 14 73.690 -13.060 -6.106 1.00 0.87 C ATOM 209 C GLU A 14 72.259 -13.472 -5.750 1.00 0.82 C ATOM 210 O GLU A 14 71.307 -12.792 -6.080 1.00 0.79 O ATOM 211 CB GLU A 14 74.184 -13.836 -7.327 1.00 0.99 C ATOM 212 CG GLU A 14 73.495 -13.301 -8.585 1.00 1.98 C ATOM 213 CD GLU A 14 74.021 -14.048 -9.811 1.00 2.36 C ATOM 214 OE1 GLU A 14 74.649 -15.078 -9.629 1.00 2.36 O ATOM 215 OE2 GLU A 14 73.788 -13.577 -10.912 1.00 3.17 O ATOM 0 H GLU A 14 75.235 -14.228 -5.207 1.00 0.88 H new ATOM 0 HA GLU A 14 73.676 -11.985 -6.285 1.00 0.87 H new ATOM 0 HB2 GLU A 14 75.265 -13.736 -7.421 1.00 0.99 H new ATOM 0 HB3 GLU A 14 73.971 -14.898 -7.207 1.00 0.99 H new ATOM 0 HG2 GLU A 14 72.416 -13.429 -8.504 1.00 1.98 H new ATOM 0 HG3 GLU A 14 73.683 -12.232 -8.689 1.00 1.98 H new ATOM 222 N GLU A 15 72.101 -14.580 -5.082 1.00 0.85 N ATOM 223 CA GLU A 15 70.733 -15.038 -4.707 1.00 0.84 C ATOM 224 C GLU A 15 69.970 -13.911 -4.004 1.00 0.76 C ATOM 225 O GLU A 15 68.853 -13.590 -4.360 1.00 0.70 O ATOM 226 CB GLU A 15 70.955 -16.212 -3.752 1.00 0.92 C ATOM 227 CG GLU A 15 69.735 -17.134 -3.789 1.00 1.49 C ATOM 228 CD GLU A 15 70.098 -18.486 -3.169 1.00 1.88 C ATOM 229 OE1 GLU A 15 71.189 -18.961 -3.433 1.00 2.62 O ATOM 230 OE2 GLU A 15 69.278 -19.021 -2.443 1.00 2.07 O ATOM 0 H GLU A 15 72.861 -15.190 -4.779 1.00 0.85 H new ATOM 0 HA GLU A 15 70.142 -15.326 -5.577 1.00 0.84 H new ATOM 0 HB2 GLU A 15 71.850 -16.764 -4.038 1.00 0.92 H new ATOM 0 HB3 GLU A 15 71.117 -15.845 -2.738 1.00 0.92 H new ATOM 0 HG2 GLU A 15 68.907 -16.682 -3.243 1.00 1.49 H new ATOM 0 HG3 GLU A 15 69.401 -17.271 -4.817 1.00 1.49 H new ATOM 237 N GLN A 16 70.562 -13.309 -3.010 1.00 0.79 N ATOM 238 CA GLN A 16 69.866 -12.205 -2.289 1.00 0.74 C ATOM 239 C GLN A 16 69.800 -10.958 -3.174 1.00 0.68 C ATOM 240 O GLN A 16 69.042 -10.043 -2.920 1.00 0.67 O ATOM 241 CB GLN A 16 70.715 -11.942 -1.044 1.00 0.79 C ATOM 242 CG GLN A 16 71.983 -11.182 -1.438 1.00 0.88 C ATOM 243 CD GLN A 16 71.743 -9.678 -1.293 1.00 1.70 C ATOM 244 OE1 GLN A 16 71.136 -9.237 -0.338 1.00 2.53 O ATOM 245 NE2 GLN A 16 72.198 -8.867 -2.208 1.00 2.20 N ATOM 0 H GLN A 16 71.496 -13.533 -2.666 1.00 0.79 H new ATOM 0 HA GLN A 16 68.839 -12.463 -2.029 1.00 0.74 H new ATOM 0 HB2 GLN A 16 70.144 -11.364 -0.317 1.00 0.79 H new ATOM 0 HB3 GLN A 16 70.978 -12.885 -0.565 1.00 0.79 H new ATOM 0 HG2 GLN A 16 72.816 -11.491 -0.806 1.00 0.88 H new ATOM 0 HG3 GLN A 16 72.258 -11.420 -2.466 1.00 0.88 H new ATOM 0 HE21 GLN A 16 72.708 -9.237 -3.010 1.00 2.20 H new ATOM 0 HE22 GLN A 16 72.044 -7.862 -2.121 1.00 2.20 H new ATOM 254 N LYS A 17 70.589 -10.915 -4.213 1.00 0.69 N ATOM 255 CA LYS A 17 70.571 -9.729 -5.117 1.00 0.68 C ATOM 256 C LYS A 17 69.307 -9.746 -5.978 1.00 0.62 C ATOM 257 O LYS A 17 68.575 -8.779 -6.044 1.00 0.57 O ATOM 258 CB LYS A 17 71.818 -9.875 -5.989 1.00 0.79 C ATOM 259 CG LYS A 17 72.647 -8.592 -5.912 1.00 1.01 C ATOM 260 CD LYS A 17 74.134 -8.938 -6.000 1.00 1.53 C ATOM 261 CE LYS A 17 74.716 -8.366 -7.296 1.00 1.70 C ATOM 262 NZ LYS A 17 74.855 -9.538 -8.204 1.00 2.33 N ATOM 0 H LYS A 17 71.246 -11.650 -4.475 1.00 0.69 H new ATOM 0 HA LYS A 17 70.570 -8.788 -4.567 1.00 0.68 H new ATOM 0 HB2 LYS A 17 72.412 -10.725 -5.653 1.00 0.79 H new ATOM 0 HB3 LYS A 17 71.531 -10.074 -7.022 1.00 0.79 H new ATOM 0 HG2 LYS A 17 72.371 -7.919 -6.724 1.00 1.01 H new ATOM 0 HG3 LYS A 17 72.439 -8.068 -4.979 1.00 1.01 H new ATOM 0 HD2 LYS A 17 74.665 -8.530 -5.140 1.00 1.53 H new ATOM 0 HD3 LYS A 17 74.269 -10.019 -5.975 1.00 1.53 H new ATOM 0 HE2 LYS A 17 74.058 -7.610 -7.725 1.00 1.70 H new ATOM 0 HE3 LYS A 17 75.679 -7.887 -7.119 1.00 1.70 H new ATOM 0 HZ1 LYS A 17 75.249 -9.227 -9.115 1.00 2.33 H new ATOM 0 HZ2 LYS A 17 75.492 -10.238 -7.773 1.00 2.33 H new ATOM 0 HZ3 LYS A 17 73.922 -9.969 -8.360 1.00 2.33 H new ATOM 276 N ASN A 18 69.043 -10.841 -6.637 1.00 0.65 N ATOM 277 CA ASN A 18 67.824 -10.923 -7.490 1.00 0.64 C ATOM 278 C ASN A 18 66.585 -10.573 -6.654 1.00 0.58 C ATOM 279 O ASN A 18 65.747 -9.794 -7.063 1.00 0.56 O ATOM 280 CB ASN A 18 67.804 -12.381 -7.995 1.00 0.73 C ATOM 281 CG ASN A 18 66.465 -13.064 -7.684 1.00 0.91 C ATOM 282 OD1 ASN A 18 65.417 -12.566 -8.045 1.00 1.55 O ATOM 283 ND2 ASN A 18 66.461 -14.191 -7.026 1.00 1.35 N ATOM 0 H ASN A 18 69.619 -11.683 -6.621 1.00 0.65 H new ATOM 0 HA ASN A 18 67.826 -10.223 -8.325 1.00 0.64 H new ATOM 0 HB2 ASN A 18 67.981 -12.397 -9.070 1.00 0.73 H new ATOM 0 HB3 ASN A 18 68.616 -12.940 -7.530 1.00 0.73 H new ATOM 0 HD21 ASN A 18 65.578 -14.655 -6.814 1.00 1.35 H new ATOM 0 HD22 ASN A 18 67.341 -14.608 -6.724 1.00 1.35 H new ATOM 290 N GLU A 19 66.468 -11.142 -5.485 1.00 0.62 N ATOM 291 CA GLU A 19 65.289 -10.841 -4.623 1.00 0.64 C ATOM 292 C GLU A 19 65.163 -9.330 -4.412 1.00 0.58 C ATOM 293 O GLU A 19 64.149 -8.734 -4.717 1.00 0.61 O ATOM 294 CB GLU A 19 65.580 -11.546 -3.298 1.00 0.75 C ATOM 295 CG GLU A 19 64.403 -11.345 -2.341 1.00 1.47 C ATOM 296 CD GLU A 19 64.587 -12.236 -1.112 1.00 2.01 C ATOM 297 OE1 GLU A 19 64.200 -13.391 -1.178 1.00 2.64 O ATOM 298 OE2 GLU A 19 65.113 -11.749 -0.125 1.00 2.50 O ATOM 0 H GLU A 19 67.138 -11.802 -5.090 1.00 0.62 H new ATOM 0 HA GLU A 19 64.353 -11.179 -5.067 1.00 0.64 H new ATOM 0 HB2 GLU A 19 65.745 -12.610 -3.469 1.00 0.75 H new ATOM 0 HB3 GLU A 19 66.494 -11.148 -2.856 1.00 0.75 H new ATOM 0 HG2 GLU A 19 64.340 -10.299 -2.039 1.00 1.47 H new ATOM 0 HG3 GLU A 19 63.467 -11.589 -2.843 1.00 1.47 H new ATOM 305 N PHE A 20 66.184 -8.707 -3.893 1.00 0.58 N ATOM 306 CA PHE A 20 66.123 -7.235 -3.664 1.00 0.59 C ATOM 307 C PHE A 20 65.847 -6.506 -4.983 1.00 0.53 C ATOM 308 O PHE A 20 65.132 -5.524 -5.022 1.00 0.54 O ATOM 309 CB PHE A 20 67.505 -6.861 -3.127 1.00 0.67 C ATOM 310 CG PHE A 20 67.408 -6.533 -1.655 1.00 1.04 C ATOM 311 CD1 PHE A 20 66.315 -5.807 -1.168 1.00 1.85 C ATOM 312 CD2 PHE A 20 68.416 -6.952 -0.778 1.00 1.87 C ATOM 313 CE1 PHE A 20 66.228 -5.502 0.196 1.00 2.52 C ATOM 314 CE2 PHE A 20 68.330 -6.648 0.585 1.00 2.57 C ATOM 315 CZ PHE A 20 67.236 -5.922 1.072 1.00 2.67 C ATOM 0 H PHE A 20 67.059 -9.153 -3.617 1.00 0.58 H new ATOM 0 HA PHE A 20 65.327 -6.957 -2.973 1.00 0.59 H new ATOM 0 HB2 PHE A 20 68.201 -7.686 -3.281 1.00 0.67 H new ATOM 0 HB3 PHE A 20 67.899 -6.005 -3.675 1.00 0.67 H new ATOM 0 HD1 PHE A 20 65.538 -5.482 -1.844 1.00 1.85 H new ATOM 0 HD2 PHE A 20 69.261 -7.510 -1.154 1.00 1.87 H new ATOM 0 HE1 PHE A 20 65.384 -4.943 0.572 1.00 2.52 H new ATOM 0 HE2 PHE A 20 69.107 -6.973 1.261 1.00 2.57 H new ATOM 0 HZ PHE A 20 67.170 -5.686 2.124 1.00 2.67 H new ATOM 325 N LYS A 21 66.412 -6.976 -6.059 1.00 0.53 N ATOM 326 CA LYS A 21 66.189 -6.310 -7.375 1.00 0.53 C ATOM 327 C LYS A 21 64.691 -6.197 -7.672 1.00 0.50 C ATOM 328 O LYS A 21 64.164 -5.118 -7.854 1.00 0.63 O ATOM 329 CB LYS A 21 66.872 -7.220 -8.398 1.00 0.61 C ATOM 330 CG LYS A 21 66.706 -6.630 -9.801 1.00 0.68 C ATOM 331 CD LYS A 21 67.956 -6.929 -10.630 1.00 1.26 C ATOM 332 CE LYS A 21 67.594 -6.949 -12.116 1.00 1.85 C ATOM 333 NZ LYS A 21 67.431 -5.516 -12.492 1.00 1.94 N ATOM 0 H LYS A 21 67.020 -7.794 -6.086 1.00 0.53 H new ATOM 0 HA LYS A 21 66.590 -5.296 -7.396 1.00 0.53 H new ATOM 0 HB2 LYS A 21 67.930 -7.323 -8.159 1.00 0.61 H new ATOM 0 HB3 LYS A 21 66.437 -8.219 -8.359 1.00 0.61 H new ATOM 0 HG2 LYS A 21 65.826 -7.055 -10.284 1.00 0.68 H new ATOM 0 HG3 LYS A 21 66.547 -5.553 -9.738 1.00 0.68 H new ATOM 0 HD2 LYS A 21 68.719 -6.174 -10.441 1.00 1.26 H new ATOM 0 HD3 LYS A 21 68.379 -7.890 -10.335 1.00 1.26 H new ATOM 0 HE2 LYS A 21 68.376 -7.426 -12.707 1.00 1.85 H new ATOM 0 HE3 LYS A 21 66.676 -7.510 -12.291 1.00 1.85 H new ATOM 0 HZ1 LYS A 21 66.499 -5.376 -12.932 1.00 1.94 H new ATOM 0 HZ2 LYS A 21 67.504 -4.923 -11.641 1.00 1.94 H new ATOM 0 HZ3 LYS A 21 68.176 -5.247 -13.166 1.00 1.94 H new ATOM 347 N ALA A 22 64.002 -7.303 -7.727 1.00 0.51 N ATOM 348 CA ALA A 22 62.541 -7.257 -8.018 1.00 0.60 C ATOM 349 C ALA A 22 61.825 -6.335 -7.027 1.00 0.51 C ATOM 350 O ALA A 22 61.283 -5.312 -7.397 1.00 0.50 O ATOM 351 CB ALA A 22 62.058 -8.699 -7.855 1.00 0.76 C ATOM 0 H ALA A 22 64.387 -8.237 -7.583 1.00 0.51 H new ATOM 0 HA ALA A 22 62.334 -6.867 -9.015 1.00 0.60 H new ATOM 0 HB1 ALA A 22 60.987 -8.749 -8.053 1.00 0.76 H new ATOM 0 HB2 ALA A 22 62.588 -9.342 -8.558 1.00 0.76 H new ATOM 0 HB3 ALA A 22 62.254 -9.036 -6.837 1.00 0.76 H new ATOM 357 N ALA A 23 61.813 -6.690 -5.772 1.00 0.51 N ATOM 358 CA ALA A 23 61.126 -5.835 -4.761 1.00 0.47 C ATOM 359 C ALA A 23 61.523 -4.367 -4.940 1.00 0.43 C ATOM 360 O ALA A 23 60.808 -3.469 -4.541 1.00 0.46 O ATOM 361 CB ALA A 23 61.607 -6.357 -3.406 1.00 0.58 C ATOM 0 H ALA A 23 62.249 -7.535 -5.402 1.00 0.51 H new ATOM 0 HA ALA A 23 60.041 -5.881 -4.857 1.00 0.47 H new ATOM 0 HB1 ALA A 23 61.144 -5.777 -2.608 1.00 0.58 H new ATOM 0 HB2 ALA A 23 61.329 -7.406 -3.301 1.00 0.58 H new ATOM 0 HB3 ALA A 23 62.691 -6.261 -3.343 1.00 0.58 H new ATOM 367 N PHE A 24 62.658 -4.115 -5.533 1.00 0.54 N ATOM 368 CA PHE A 24 63.097 -2.706 -5.729 1.00 0.56 C ATOM 369 C PHE A 24 62.383 -2.080 -6.933 1.00 0.56 C ATOM 370 O PHE A 24 61.536 -1.222 -6.785 1.00 0.60 O ATOM 371 CB PHE A 24 64.601 -2.801 -5.983 1.00 0.66 C ATOM 372 CG PHE A 24 65.208 -1.422 -5.929 1.00 0.60 C ATOM 373 CD1 PHE A 24 65.672 -0.912 -4.713 1.00 1.24 C ATOM 374 CD2 PHE A 24 65.306 -0.656 -7.095 1.00 1.45 C ATOM 375 CE1 PHE A 24 66.235 0.369 -4.661 1.00 1.24 C ATOM 376 CE2 PHE A 24 65.869 0.624 -7.045 1.00 1.61 C ATOM 377 CZ PHE A 24 66.334 1.137 -5.827 1.00 0.94 C ATOM 0 H PHE A 24 63.299 -4.824 -5.890 1.00 0.54 H new ATOM 0 HA PHE A 24 62.863 -2.077 -4.870 1.00 0.56 H new ATOM 0 HB2 PHE A 24 65.067 -3.444 -5.237 1.00 0.66 H new ATOM 0 HB3 PHE A 24 64.788 -3.255 -6.956 1.00 0.66 H new ATOM 0 HD1 PHE A 24 65.596 -1.506 -3.814 1.00 1.24 H new ATOM 0 HD2 PHE A 24 64.947 -1.052 -8.033 1.00 1.45 H new ATOM 0 HE1 PHE A 24 66.593 0.764 -3.722 1.00 1.24 H new ATOM 0 HE2 PHE A 24 65.945 1.216 -7.945 1.00 1.61 H new ATOM 0 HZ PHE A 24 66.769 2.125 -5.788 1.00 0.94 H new ATOM 387 N ASP A 25 62.722 -2.499 -8.121 1.00 0.58 N ATOM 388 CA ASP A 25 62.066 -1.924 -9.332 1.00 0.64 C ATOM 389 C ASP A 25 60.556 -1.794 -9.117 1.00 0.66 C ATOM 390 O ASP A 25 59.907 -0.948 -9.700 1.00 0.76 O ATOM 391 CB ASP A 25 62.363 -2.923 -10.452 1.00 0.68 C ATOM 392 CG ASP A 25 61.836 -2.374 -11.779 1.00 1.05 C ATOM 393 OD1 ASP A 25 60.627 -2.308 -11.934 1.00 1.58 O ATOM 394 OD2 ASP A 25 62.650 -2.028 -12.619 1.00 1.78 O ATOM 0 H ASP A 25 63.425 -3.215 -8.307 1.00 0.58 H new ATOM 0 HA ASP A 25 62.436 -0.925 -9.562 1.00 0.64 H new ATOM 0 HB2 ASP A 25 63.436 -3.100 -10.520 1.00 0.68 H new ATOM 0 HB3 ASP A 25 61.895 -3.882 -10.232 1.00 0.68 H new ATOM 399 N ILE A 26 59.988 -2.626 -8.288 1.00 0.61 N ATOM 400 CA ILE A 26 58.520 -2.551 -8.044 1.00 0.67 C ATOM 401 C ILE A 26 58.157 -1.241 -7.335 1.00 0.73 C ATOM 402 O ILE A 26 57.000 -0.884 -7.232 1.00 0.99 O ATOM 403 CB ILE A 26 58.211 -3.746 -7.149 1.00 0.70 C ATOM 404 CG1 ILE A 26 58.303 -5.027 -7.982 1.00 0.66 C ATOM 405 CG2 ILE A 26 56.799 -3.605 -6.577 1.00 0.83 C ATOM 406 CD1 ILE A 26 57.691 -6.188 -7.201 1.00 0.84 C ATOM 0 H ILE A 26 60.477 -3.355 -7.769 1.00 0.61 H new ATOM 0 HA ILE A 26 57.948 -2.572 -8.972 1.00 0.67 H new ATOM 0 HB ILE A 26 58.927 -3.788 -6.328 1.00 0.70 H new ATOM 0 HG12 ILE A 26 57.779 -4.896 -8.929 1.00 0.66 H new ATOM 0 HG13 ILE A 26 59.344 -5.244 -8.221 1.00 0.66 H new ATOM 0 HG21 ILE A 26 56.579 -4.460 -5.937 1.00 0.83 H new ATOM 0 HG22 ILE A 26 56.733 -2.687 -5.992 1.00 0.83 H new ATOM 0 HG23 ILE A 26 56.078 -3.567 -7.393 1.00 0.83 H new ATOM 0 HD11 ILE A 26 57.756 -7.100 -7.794 1.00 0.84 H new ATOM 0 HD12 ILE A 26 58.234 -6.324 -6.266 1.00 0.84 H new ATOM 0 HD13 ILE A 26 56.645 -5.970 -6.985 1.00 0.84 H new ATOM 418 N PHE A 27 59.130 -0.524 -6.846 1.00 0.57 N ATOM 419 CA PHE A 27 58.825 0.756 -6.145 1.00 0.63 C ATOM 420 C PHE A 27 59.603 1.916 -6.775 1.00 0.59 C ATOM 421 O PHE A 27 60.047 2.819 -6.095 1.00 0.67 O ATOM 422 CB PHE A 27 59.267 0.530 -4.699 1.00 0.70 C ATOM 423 CG PHE A 27 58.234 -0.309 -3.985 1.00 0.67 C ATOM 424 CD1 PHE A 27 58.054 -1.651 -4.340 1.00 1.44 C ATOM 425 CD2 PHE A 27 57.453 0.256 -2.969 1.00 1.17 C ATOM 426 CE1 PHE A 27 57.095 -2.428 -3.680 1.00 1.65 C ATOM 427 CE2 PHE A 27 56.494 -0.521 -2.308 1.00 1.20 C ATOM 428 CZ PHE A 27 56.315 -1.864 -2.664 1.00 1.09 C ATOM 0 H PHE A 27 60.119 -0.767 -6.901 1.00 0.57 H new ATOM 0 HA PHE A 27 57.769 1.019 -6.213 1.00 0.63 H new ATOM 0 HB2 PHE A 27 60.236 0.031 -4.677 1.00 0.70 H new ATOM 0 HB3 PHE A 27 59.390 1.486 -4.191 1.00 0.70 H new ATOM 0 HD1 PHE A 27 58.656 -2.087 -5.124 1.00 1.44 H new ATOM 0 HD2 PHE A 27 57.591 1.292 -2.695 1.00 1.17 H new ATOM 0 HE1 PHE A 27 56.957 -3.463 -3.955 1.00 1.65 H new ATOM 0 HE2 PHE A 27 55.893 -0.085 -1.524 1.00 1.20 H new ATOM 0 HZ PHE A 27 55.575 -2.464 -2.155 1.00 1.09 H new ATOM 438 N VAL A 28 59.763 1.901 -8.070 1.00 0.58 N ATOM 439 CA VAL A 28 60.503 3.008 -8.744 1.00 0.59 C ATOM 440 C VAL A 28 59.508 4.033 -9.295 1.00 0.64 C ATOM 441 O VAL A 28 59.775 4.718 -10.263 1.00 0.73 O ATOM 442 CB VAL A 28 61.274 2.336 -9.879 1.00 0.60 C ATOM 443 CG1 VAL A 28 61.903 3.401 -10.774 1.00 1.41 C ATOM 444 CG2 VAL A 28 62.377 1.452 -9.292 1.00 1.37 C ATOM 0 H VAL A 28 59.414 1.171 -8.691 1.00 0.58 H new ATOM 0 HA VAL A 28 61.170 3.541 -8.066 1.00 0.59 H new ATOM 0 HB VAL A 28 60.589 1.726 -10.468 1.00 0.60 H new ATOM 0 HG11 VAL A 28 62.452 2.919 -11.583 1.00 1.41 H new ATOM 0 HG12 VAL A 28 61.120 4.033 -11.193 1.00 1.41 H new ATOM 0 HG13 VAL A 28 62.587 4.013 -10.186 1.00 1.41 H new ATOM 0 HG21 VAL A 28 62.928 0.972 -10.101 1.00 1.37 H new ATOM 0 HG22 VAL A 28 63.059 2.065 -8.702 1.00 1.37 H new ATOM 0 HG23 VAL A 28 61.931 0.689 -8.654 1.00 1.37 H new ATOM 454 N LEU A 29 58.362 4.137 -8.679 1.00 0.75 N ATOM 455 CA LEU A 29 57.329 5.110 -9.148 1.00 0.91 C ATOM 456 C LEU A 29 57.989 6.406 -9.626 1.00 1.10 C ATOM 457 O LEU A 29 58.319 7.274 -8.842 1.00 1.54 O ATOM 458 CB LEU A 29 56.458 5.376 -7.919 1.00 1.17 C ATOM 459 CG LEU A 29 55.131 5.996 -8.356 1.00 1.49 C ATOM 460 CD1 LEU A 29 54.184 6.071 -7.156 1.00 2.09 C ATOM 461 CD2 LEU A 29 55.382 7.406 -8.895 1.00 1.73 C ATOM 0 H LEU A 29 58.093 3.586 -7.864 1.00 0.75 H new ATOM 0 HA LEU A 29 56.752 4.724 -9.988 1.00 0.91 H new ATOM 0 HB2 LEU A 29 56.277 4.446 -7.381 1.00 1.17 H new ATOM 0 HB3 LEU A 29 56.975 6.046 -7.232 1.00 1.17 H new ATOM 0 HG LEU A 29 54.681 5.382 -9.136 1.00 1.49 H new ATOM 0 HD11 LEU A 29 53.237 6.513 -7.467 1.00 2.09 H new ATOM 0 HD12 LEU A 29 54.006 5.067 -6.769 1.00 2.09 H new ATOM 0 HD13 LEU A 29 54.633 6.686 -6.376 1.00 2.09 H new ATOM 0 HD21 LEU A 29 54.437 7.850 -9.207 1.00 1.73 H new ATOM 0 HD22 LEU A 29 55.830 8.020 -8.114 1.00 1.73 H new ATOM 0 HD23 LEU A 29 56.058 7.354 -9.749 1.00 1.73 H new ATOM 473 N GLY A 30 58.187 6.542 -10.909 1.00 1.47 N ATOM 474 CA GLY A 30 58.828 7.778 -11.438 1.00 1.89 C ATOM 475 C GLY A 30 60.345 7.674 -11.271 1.00 1.94 C ATOM 476 O GLY A 30 60.986 6.825 -11.857 1.00 2.46 O ATOM 0 H GLY A 30 57.932 5.850 -11.614 1.00 1.47 H new ATOM 0 HA2 GLY A 30 58.575 7.911 -12.490 1.00 1.89 H new ATOM 0 HA3 GLY A 30 58.452 8.652 -10.907 1.00 1.89 H new ATOM 480 N ALA A 31 60.924 8.528 -10.475 1.00 1.89 N ATOM 481 CA ALA A 31 62.400 8.473 -10.269 1.00 2.14 C ATOM 482 C ALA A 31 63.128 8.726 -11.591 1.00 2.28 C ATOM 483 O ALA A 31 62.607 8.466 -12.659 1.00 2.46 O ATOM 484 CB ALA A 31 62.676 7.054 -9.769 1.00 1.97 C ATOM 0 H ALA A 31 60.440 9.262 -9.958 1.00 1.89 H new ATOM 0 HA ALA A 31 62.748 9.229 -9.565 1.00 2.14 H new ATOM 0 HB1 ALA A 31 63.745 6.932 -9.593 1.00 1.97 H new ATOM 0 HB2 ALA A 31 62.133 6.884 -8.839 1.00 1.97 H new ATOM 0 HB3 ALA A 31 62.347 6.334 -10.518 1.00 1.97 H new ATOM 490 N GLU A 32 64.329 9.230 -11.530 1.00 2.73 N ATOM 491 CA GLU A 32 65.091 9.498 -12.783 1.00 2.98 C ATOM 492 C GLU A 32 65.076 8.260 -13.685 1.00 2.33 C ATOM 493 O GLU A 32 65.290 8.347 -14.878 1.00 2.34 O ATOM 494 CB GLU A 32 66.516 9.808 -12.321 1.00 3.71 C ATOM 495 CG GLU A 32 67.130 10.872 -13.235 1.00 4.48 C ATOM 496 CD GLU A 32 68.291 11.556 -12.513 1.00 5.14 C ATOM 497 OE1 GLU A 32 68.559 11.186 -11.381 1.00 5.38 O ATOM 498 OE2 GLU A 32 68.892 12.439 -13.101 1.00 5.71 O ATOM 0 H GLU A 32 64.817 9.468 -10.666 1.00 2.73 H new ATOM 0 HA GLU A 32 64.663 10.317 -13.361 1.00 2.98 H new ATOM 0 HB2 GLU A 32 66.506 10.161 -11.290 1.00 3.71 H new ATOM 0 HB3 GLU A 32 67.122 8.902 -12.342 1.00 3.71 H new ATOM 0 HG2 GLU A 32 67.482 10.414 -14.159 1.00 4.48 H new ATOM 0 HG3 GLU A 32 66.375 11.608 -13.512 1.00 4.48 H new ATOM 505 N ASP A 33 64.827 7.108 -13.123 1.00 2.13 N ATOM 506 CA ASP A 33 64.800 5.864 -13.949 1.00 2.25 C ATOM 507 C ASP A 33 64.548 4.642 -13.056 1.00 1.67 C ATOM 508 O ASP A 33 63.421 4.320 -12.741 1.00 2.00 O ATOM 509 CB ASP A 33 66.180 5.782 -14.616 1.00 3.20 C ATOM 510 CG ASP A 33 67.261 6.295 -13.658 1.00 3.87 C ATOM 511 OD1 ASP A 33 67.261 5.868 -12.515 1.00 4.16 O ATOM 512 OD2 ASP A 33 68.067 7.104 -14.084 1.00 4.49 O ATOM 0 H ASP A 33 64.641 6.973 -12.129 1.00 2.13 H new ATOM 0 HA ASP A 33 64.002 5.882 -14.691 1.00 2.25 H new ATOM 0 HB2 ASP A 33 66.394 4.752 -14.900 1.00 3.20 H new ATOM 0 HB3 ASP A 33 66.185 6.373 -15.532 1.00 3.20 H new ATOM 517 N GLY A 34 65.586 3.961 -12.644 1.00 1.10 N ATOM 518 CA GLY A 34 65.396 2.766 -11.772 1.00 1.18 C ATOM 519 C GLY A 34 65.658 3.153 -10.316 1.00 0.92 C ATOM 520 O GLY A 34 66.505 2.585 -9.654 1.00 1.03 O ATOM 0 H GLY A 34 66.555 4.181 -12.874 1.00 1.10 H new ATOM 0 HA2 GLY A 34 64.382 2.380 -11.881 1.00 1.18 H new ATOM 0 HA3 GLY A 34 66.075 1.969 -12.076 1.00 1.18 H new ATOM 524 N CYS A 35 64.941 4.121 -9.812 1.00 0.78 N ATOM 525 CA CYS A 35 65.152 4.550 -8.397 1.00 0.68 C ATOM 526 C CYS A 35 63.809 4.639 -7.668 1.00 0.69 C ATOM 527 O CYS A 35 62.787 4.917 -8.264 1.00 0.89 O ATOM 528 CB CYS A 35 65.802 5.931 -8.495 1.00 0.78 C ATOM 529 SG CYS A 35 67.151 5.885 -9.702 1.00 1.27 S ATOM 0 H CYS A 35 64.219 4.634 -10.318 1.00 0.78 H new ATOM 0 HA CYS A 35 65.771 3.847 -7.839 1.00 0.68 H new ATOM 0 HB2 CYS A 35 65.060 6.673 -8.792 1.00 0.78 H new ATOM 0 HB3 CYS A 35 66.183 6.234 -7.520 1.00 0.78 H new ATOM 0 HG CYS A 35 68.201 6.467 -9.202 1.00 1.27 H new ATOM 535 N ILE A 36 63.799 4.408 -6.383 1.00 0.57 N ATOM 536 CA ILE A 36 62.514 4.482 -5.627 1.00 0.57 C ATOM 537 C ILE A 36 62.472 5.752 -4.775 1.00 0.50 C ATOM 538 O ILE A 36 63.483 6.372 -4.514 1.00 0.60 O ATOM 539 CB ILE A 36 62.501 3.239 -4.738 1.00 0.63 C ATOM 540 CG1 ILE A 36 63.619 3.344 -3.698 1.00 0.60 C ATOM 541 CG2 ILE A 36 62.722 1.995 -5.598 1.00 0.72 C ATOM 542 CD1 ILE A 36 63.406 2.288 -2.611 1.00 0.75 C ATOM 0 H ILE A 36 64.620 4.172 -5.826 1.00 0.57 H new ATOM 0 HA ILE A 36 61.649 4.516 -6.290 1.00 0.57 H new ATOM 0 HB ILE A 36 61.539 3.165 -4.232 1.00 0.63 H new ATOM 0 HG12 ILE A 36 64.588 3.200 -4.175 1.00 0.60 H new ATOM 0 HG13 ILE A 36 63.626 4.340 -3.256 1.00 0.60 H new ATOM 0 HG21 ILE A 36 62.713 1.108 -4.964 1.00 0.72 H new ATOM 0 HG22 ILE A 36 61.927 1.919 -6.340 1.00 0.72 H new ATOM 0 HG23 ILE A 36 63.684 2.069 -6.104 1.00 0.72 H new ATOM 0 HD11 ILE A 36 64.202 2.363 -1.870 1.00 0.75 H new ATOM 0 HD12 ILE A 36 62.443 2.453 -2.127 1.00 0.75 H new ATOM 0 HD13 ILE A 36 63.421 1.295 -3.060 1.00 0.75 H new ATOM 554 N SER A 37 61.306 6.142 -4.339 1.00 0.54 N ATOM 555 CA SER A 37 61.195 7.371 -3.502 1.00 0.50 C ATOM 556 C SER A 37 61.439 7.031 -2.029 1.00 0.48 C ATOM 557 O SER A 37 60.841 6.124 -1.486 1.00 0.60 O ATOM 558 CB SER A 37 59.763 7.865 -3.713 1.00 0.55 C ATOM 559 OG SER A 37 59.163 8.132 -2.452 1.00 1.02 O ATOM 0 H SER A 37 60.425 5.663 -4.526 1.00 0.54 H new ATOM 0 HA SER A 37 61.930 8.128 -3.777 1.00 0.50 H new ATOM 0 HB2 SER A 37 59.765 8.767 -4.325 1.00 0.55 H new ATOM 0 HB3 SER A 37 59.184 7.115 -4.252 1.00 0.55 H new ATOM 0 HG SER A 37 58.246 8.450 -2.587 1.00 1.02 H new ATOM 565 N THR A 38 62.314 7.751 -1.380 1.00 0.48 N ATOM 566 CA THR A 38 62.595 7.467 0.058 1.00 0.53 C ATOM 567 C THR A 38 61.289 7.189 0.806 1.00 0.53 C ATOM 568 O THR A 38 61.253 6.420 1.745 1.00 0.59 O ATOM 569 CB THR A 38 63.261 8.738 0.588 1.00 0.64 C ATOM 570 OG1 THR A 38 62.485 9.868 0.215 1.00 0.62 O ATOM 571 CG2 THR A 38 64.666 8.864 -0.001 1.00 0.85 C ATOM 0 H THR A 38 62.846 8.523 -1.782 1.00 0.48 H new ATOM 0 HA THR A 38 63.228 6.590 0.192 1.00 0.53 H new ATOM 0 HB THR A 38 63.329 8.687 1.675 1.00 0.64 H new ATOM 0 HG1 THR A 38 62.705 10.127 -0.704 1.00 0.62 H new ATOM 0 HG21 THR A 38 65.139 9.770 0.377 1.00 0.85 H new ATOM 0 HG22 THR A 38 65.260 7.997 0.287 1.00 0.85 H new ATOM 0 HG23 THR A 38 64.602 8.915 -1.088 1.00 0.85 H new ATOM 579 N LYS A 39 60.217 7.805 0.392 1.00 0.60 N ATOM 580 CA LYS A 39 58.912 7.573 1.077 1.00 0.73 C ATOM 581 C LYS A 39 58.452 6.130 0.849 1.00 0.66 C ATOM 582 O LYS A 39 57.770 5.549 1.671 1.00 0.87 O ATOM 583 CB LYS A 39 57.942 8.557 0.423 1.00 0.90 C ATOM 584 CG LYS A 39 56.777 8.835 1.373 1.00 1.78 C ATOM 585 CD LYS A 39 55.603 9.418 0.584 1.00 2.12 C ATOM 586 CE LYS A 39 55.623 10.944 0.692 1.00 2.70 C ATOM 587 NZ LYS A 39 54.837 11.253 1.918 1.00 2.96 N ATOM 0 H LYS A 39 60.187 8.459 -0.390 1.00 0.60 H new ATOM 0 HA LYS A 39 58.975 7.722 2.155 1.00 0.73 H new ATOM 0 HB2 LYS A 39 58.458 9.486 0.182 1.00 0.90 H new ATOM 0 HB3 LYS A 39 57.569 8.147 -0.516 1.00 0.90 H new ATOM 0 HG2 LYS A 39 56.473 7.915 1.871 1.00 1.78 H new ATOM 0 HG3 LYS A 39 57.087 9.532 2.152 1.00 1.78 H new ATOM 0 HD2 LYS A 39 55.668 9.116 -0.461 1.00 2.12 H new ATOM 0 HD3 LYS A 39 54.662 9.028 0.971 1.00 2.12 H new ATOM 0 HE2 LYS A 39 56.643 11.321 0.771 1.00 2.70 H new ATOM 0 HE3 LYS A 39 55.179 11.408 -0.189 1.00 2.70 H new ATOM 0 HZ1 LYS A 39 54.805 12.283 2.060 1.00 2.96 H new ATOM 0 HZ2 LYS A 39 53.869 10.888 1.811 1.00 2.96 H new ATOM 0 HZ3 LYS A 39 55.287 10.804 2.741 1.00 2.96 H new ATOM 601 N GLU A 40 58.821 5.549 -0.259 1.00 0.52 N ATOM 602 CA GLU A 40 58.406 4.145 -0.541 1.00 0.56 C ATOM 603 C GLU A 40 59.433 3.166 0.032 1.00 0.52 C ATOM 604 O GLU A 40 59.097 2.085 0.473 1.00 0.59 O ATOM 605 CB GLU A 40 58.363 4.044 -2.067 1.00 0.71 C ATOM 606 CG GLU A 40 57.206 4.889 -2.601 1.00 1.06 C ATOM 607 CD GLU A 40 55.906 4.088 -2.512 1.00 1.41 C ATOM 608 OE1 GLU A 40 55.942 2.903 -2.803 1.00 1.60 O ATOM 609 OE2 GLU A 40 54.896 4.672 -2.155 1.00 2.23 O ATOM 0 H GLU A 40 59.392 5.986 -0.982 1.00 0.52 H new ATOM 0 HA GLU A 40 57.445 3.899 -0.089 1.00 0.56 H new ATOM 0 HB2 GLU A 40 59.306 4.389 -2.492 1.00 0.71 H new ATOM 0 HB3 GLU A 40 58.238 3.004 -2.370 1.00 0.71 H new ATOM 0 HG2 GLU A 40 57.118 5.810 -2.025 1.00 1.06 H new ATOM 0 HG3 GLU A 40 57.398 5.177 -3.635 1.00 1.06 H new ATOM 616 N LEU A 41 60.685 3.537 0.032 1.00 0.51 N ATOM 617 CA LEU A 41 61.735 2.630 0.578 1.00 0.54 C ATOM 618 C LEU A 41 61.248 1.989 1.881 1.00 0.56 C ATOM 619 O LEU A 41 61.651 0.900 2.237 1.00 0.70 O ATOM 620 CB LEU A 41 62.939 3.535 0.841 1.00 0.62 C ATOM 621 CG LEU A 41 64.025 2.745 1.572 1.00 0.64 C ATOM 622 CD1 LEU A 41 65.290 2.698 0.714 1.00 1.18 C ATOM 623 CD2 LEU A 41 64.340 3.428 2.905 1.00 1.40 C ATOM 0 H LEU A 41 61.026 4.430 -0.323 1.00 0.51 H new ATOM 0 HA LEU A 41 61.979 1.817 -0.105 1.00 0.54 H new ATOM 0 HB2 LEU A 41 63.328 3.922 -0.101 1.00 0.62 H new ATOM 0 HB3 LEU A 41 62.637 4.395 1.438 1.00 0.62 H new ATOM 0 HG LEU A 41 63.673 1.730 1.755 1.00 0.64 H new ATOM 0 HD11 LEU A 41 66.063 2.135 1.236 1.00 1.18 H new ATOM 0 HD12 LEU A 41 65.067 2.213 -0.236 1.00 1.18 H new ATOM 0 HD13 LEU A 41 65.643 3.713 0.530 1.00 1.18 H new ATOM 0 HD21 LEU A 41 65.114 2.866 3.428 1.00 1.40 H new ATOM 0 HD22 LEU A 41 64.691 4.443 2.720 1.00 1.40 H new ATOM 0 HD23 LEU A 41 63.440 3.462 3.518 1.00 1.40 H new ATOM 635 N GLY A 42 60.381 2.656 2.593 1.00 0.57 N ATOM 636 CA GLY A 42 59.868 2.084 3.870 1.00 0.60 C ATOM 637 C GLY A 42 59.057 0.823 3.568 1.00 0.55 C ATOM 638 O GLY A 42 59.404 -0.265 3.980 1.00 0.57 O ATOM 0 H GLY A 42 60.006 3.572 2.346 1.00 0.57 H new ATOM 0 HA2 GLY A 42 60.698 1.846 4.535 1.00 0.60 H new ATOM 0 HA3 GLY A 42 59.246 2.816 4.386 1.00 0.60 H new ATOM 642 N LYS A 43 57.980 0.961 2.845 1.00 0.57 N ATOM 643 CA LYS A 43 57.148 -0.230 2.512 1.00 0.58 C ATOM 644 C LYS A 43 58.017 -1.306 1.855 1.00 0.56 C ATOM 645 O LYS A 43 57.747 -2.486 1.957 1.00 0.60 O ATOM 646 CB LYS A 43 56.095 0.286 1.530 1.00 0.65 C ATOM 647 CG LYS A 43 54.737 0.358 2.231 1.00 0.99 C ATOM 648 CD LYS A 43 54.260 1.811 2.273 1.00 1.28 C ATOM 649 CE LYS A 43 54.531 2.398 3.660 1.00 1.53 C ATOM 650 NZ LYS A 43 53.186 2.545 4.285 1.00 1.86 N ATOM 0 H LYS A 43 57.640 1.847 2.470 1.00 0.57 H new ATOM 0 HA LYS A 43 56.693 -0.681 3.394 1.00 0.58 H new ATOM 0 HB2 LYS A 43 56.378 1.272 1.161 1.00 0.65 H new ATOM 0 HB3 LYS A 43 56.035 -0.374 0.664 1.00 0.65 H new ATOM 0 HG2 LYS A 43 54.010 -0.259 1.703 1.00 0.99 H new ATOM 0 HG3 LYS A 43 54.817 -0.039 3.243 1.00 0.99 H new ATOM 0 HD2 LYS A 43 54.776 2.396 1.512 1.00 1.28 H new ATOM 0 HD3 LYS A 43 53.195 1.862 2.047 1.00 1.28 H new ATOM 0 HE2 LYS A 43 55.170 1.740 4.249 1.00 1.53 H new ATOM 0 HE3 LYS A 43 55.041 3.359 3.589 1.00 1.53 H new ATOM 0 HZ1 LYS A 43 53.289 2.943 5.240 1.00 1.86 H new ATOM 0 HZ2 LYS A 43 52.602 3.182 3.706 1.00 1.86 H new ATOM 0 HZ3 LYS A 43 52.727 1.613 4.345 1.00 1.86 H new ATOM 664 N VAL A 44 59.062 -0.905 1.181 1.00 0.54 N ATOM 665 CA VAL A 44 59.952 -1.901 0.518 1.00 0.56 C ATOM 666 C VAL A 44 60.810 -2.619 1.565 1.00 0.59 C ATOM 667 O VAL A 44 61.204 -3.754 1.387 1.00 0.57 O ATOM 668 CB VAL A 44 60.820 -1.073 -0.437 1.00 0.59 C ATOM 669 CG1 VAL A 44 62.134 -1.805 -0.728 1.00 1.36 C ATOM 670 CG2 VAL A 44 60.063 -0.860 -1.748 1.00 1.36 C ATOM 0 H VAL A 44 59.337 0.070 1.061 1.00 0.54 H new ATOM 0 HA VAL A 44 59.397 -2.676 -0.011 1.00 0.56 H new ATOM 0 HB VAL A 44 61.043 -0.112 0.027 1.00 0.59 H new ATOM 0 HG11 VAL A 44 62.741 -1.207 -1.407 1.00 1.36 H new ATOM 0 HG12 VAL A 44 62.678 -1.960 0.204 1.00 1.36 H new ATOM 0 HG13 VAL A 44 61.919 -2.770 -1.188 1.00 1.36 H new ATOM 0 HG21 VAL A 44 60.676 -0.272 -2.431 1.00 1.36 H new ATOM 0 HG22 VAL A 44 59.841 -1.826 -2.201 1.00 1.36 H new ATOM 0 HG23 VAL A 44 59.132 -0.330 -1.548 1.00 1.36 H new ATOM 680 N MET A 45 61.102 -1.965 2.656 1.00 0.74 N ATOM 681 CA MET A 45 61.933 -2.613 3.712 1.00 0.84 C ATOM 682 C MET A 45 61.055 -3.483 4.615 1.00 0.86 C ATOM 683 O MET A 45 61.435 -4.569 5.006 1.00 0.89 O ATOM 684 CB MET A 45 62.538 -1.454 4.506 1.00 0.96 C ATOM 685 CG MET A 45 63.800 -0.957 3.799 1.00 1.12 C ATOM 686 SD MET A 45 65.257 -1.691 4.581 1.00 1.48 S ATOM 687 CE MET A 45 66.261 -0.187 4.645 1.00 0.73 C ATOM 0 H MET A 45 60.802 -1.012 2.862 1.00 0.74 H new ATOM 0 HA MET A 45 62.700 -3.264 3.293 1.00 0.84 H new ATOM 0 HB2 MET A 45 61.815 -0.643 4.595 1.00 0.96 H new ATOM 0 HB3 MET A 45 62.779 -1.779 5.518 1.00 0.96 H new ATOM 0 HG2 MET A 45 63.767 -1.224 2.743 1.00 1.12 H new ATOM 0 HG3 MET A 45 63.855 0.130 3.851 1.00 1.12 H new ATOM 0 HE1 MET A 45 67.232 -0.416 5.085 1.00 0.73 H new ATOM 0 HE2 MET A 45 66.402 0.200 3.636 1.00 0.73 H new ATOM 0 HE3 MET A 45 65.755 0.563 5.253 1.00 0.73 H new ATOM 697 N ARG A 46 59.884 -3.014 4.947 1.00 0.94 N ATOM 698 CA ARG A 46 58.982 -3.813 5.825 1.00 1.04 C ATOM 699 C ARG A 46 58.586 -5.119 5.131 1.00 1.00 C ATOM 700 O ARG A 46 58.431 -6.145 5.761 1.00 1.04 O ATOM 701 CB ARG A 46 57.754 -2.928 6.040 1.00 1.21 C ATOM 702 CG ARG A 46 58.201 -1.539 6.504 1.00 1.04 C ATOM 703 CD ARG A 46 57.463 -1.168 7.792 1.00 1.77 C ATOM 704 NE ARG A 46 57.160 0.284 7.657 1.00 2.29 N ATOM 705 CZ ARG A 46 55.923 0.684 7.550 1.00 2.76 C ATOM 706 NH1 ARG A 46 55.036 -0.086 6.981 1.00 3.10 N ATOM 707 NH2 ARG A 46 55.573 1.854 8.012 1.00 3.45 N ATOM 0 H ARG A 46 59.512 -2.112 4.649 1.00 0.94 H new ATOM 0 HA ARG A 46 59.459 -4.086 6.766 1.00 1.04 H new ATOM 0 HB2 ARG A 46 57.184 -2.848 5.115 1.00 1.21 H new ATOM 0 HB3 ARG A 46 57.095 -3.377 6.783 1.00 1.21 H new ATOM 0 HG2 ARG A 46 59.278 -1.530 6.674 1.00 1.04 H new ATOM 0 HG3 ARG A 46 57.994 -0.801 5.729 1.00 1.04 H new ATOM 0 HD2 ARG A 46 56.550 -1.753 7.907 1.00 1.77 H new ATOM 0 HD3 ARG A 46 58.079 -1.363 8.670 1.00 1.77 H new ATOM 0 HE ARG A 46 57.919 0.965 7.648 1.00 2.29 H new ATOM 0 HH11 ARG A 46 55.310 -1.000 6.620 1.00 3.10 H new ATOM 0 HH12 ARG A 46 54.069 0.226 6.897 1.00 3.10 H new ATOM 0 HH21 ARG A 46 56.267 2.455 8.457 1.00 3.45 H new ATOM 0 HH22 ARG A 46 54.606 2.167 7.928 1.00 3.45 H new ATOM 721 N MET A 47 58.421 -5.087 3.837 1.00 0.98 N ATOM 722 CA MET A 47 58.035 -6.328 3.105 1.00 1.04 C ATOM 723 C MET A 47 59.244 -7.255 2.961 1.00 0.99 C ATOM 724 O MET A 47 59.108 -8.434 2.701 1.00 1.07 O ATOM 725 CB MET A 47 57.562 -5.847 1.733 1.00 1.19 C ATOM 726 CG MET A 47 56.058 -6.090 1.597 1.00 1.37 C ATOM 727 SD MET A 47 55.425 -5.170 0.173 1.00 1.89 S ATOM 728 CE MET A 47 56.661 -5.728 -1.025 1.00 1.30 C ATOM 0 H MET A 47 58.536 -4.257 3.255 1.00 0.98 H new ATOM 0 HA MET A 47 57.263 -6.893 3.628 1.00 1.04 H new ATOM 0 HB2 MET A 47 57.782 -4.786 1.612 1.00 1.19 H new ATOM 0 HB3 MET A 47 58.099 -6.376 0.946 1.00 1.19 H new ATOM 0 HG2 MET A 47 55.861 -7.155 1.473 1.00 1.37 H new ATOM 0 HG3 MET A 47 55.544 -5.774 2.505 1.00 1.37 H new ATOM 0 HE1 MET A 47 56.288 -5.564 -2.036 1.00 1.30 H new ATOM 0 HE2 MET A 47 57.584 -5.166 -0.883 1.00 1.30 H new ATOM 0 HE3 MET A 47 56.856 -6.790 -0.878 1.00 1.30 H new ATOM 738 N LEU A 48 60.428 -6.732 3.128 1.00 0.93 N ATOM 739 CA LEU A 48 61.644 -7.583 3.000 1.00 0.98 C ATOM 740 C LEU A 48 62.120 -8.038 4.383 1.00 1.32 C ATOM 741 O LEU A 48 62.699 -9.095 4.534 1.00 1.80 O ATOM 742 CB LEU A 48 62.690 -6.683 2.343 1.00 1.21 C ATOM 743 CG LEU A 48 62.477 -6.671 0.828 1.00 1.28 C ATOM 744 CD1 LEU A 48 63.092 -5.403 0.235 1.00 2.11 C ATOM 745 CD2 LEU A 48 63.148 -7.901 0.211 1.00 1.86 C ATOM 0 H LEU A 48 60.605 -5.752 3.348 1.00 0.93 H new ATOM 0 HA LEU A 48 61.457 -8.484 2.416 1.00 0.98 H new ATOM 0 HB2 LEU A 48 62.614 -5.670 2.739 1.00 1.21 H new ATOM 0 HB3 LEU A 48 63.692 -7.042 2.577 1.00 1.21 H new ATOM 0 HG LEU A 48 61.409 -6.691 0.611 1.00 1.28 H new ATOM 0 HD11 LEU A 48 62.940 -5.395 -0.844 1.00 2.11 H new ATOM 0 HD12 LEU A 48 62.615 -4.527 0.675 1.00 2.11 H new ATOM 0 HD13 LEU A 48 64.160 -5.381 0.451 1.00 2.11 H new ATOM 0 HD21 LEU A 48 62.997 -7.894 -0.869 1.00 1.86 H new ATOM 0 HD22 LEU A 48 64.216 -7.880 0.429 1.00 1.86 H new ATOM 0 HD23 LEU A 48 62.709 -8.805 0.633 1.00 1.86 H new ATOM 757 N GLY A 49 61.881 -7.246 5.393 1.00 1.36 N ATOM 758 CA GLY A 49 62.321 -7.634 6.764 1.00 1.95 C ATOM 759 C GLY A 49 62.495 -6.378 7.620 1.00 1.43 C ATOM 760 O GLY A 49 61.842 -6.208 8.630 1.00 1.92 O ATOM 0 H GLY A 49 61.401 -6.348 5.328 1.00 1.36 H new ATOM 0 HA2 GLY A 49 61.586 -8.298 7.219 1.00 1.95 H new ATOM 0 HA3 GLY A 49 63.260 -8.185 6.713 1.00 1.95 H new ATOM 764 N GLN A 50 63.372 -5.496 7.223 1.00 1.21 N ATOM 765 CA GLN A 50 63.587 -4.250 8.016 1.00 1.01 C ATOM 766 C GLN A 50 62.251 -3.551 8.278 1.00 1.02 C ATOM 767 O GLN A 50 61.490 -3.286 7.368 1.00 1.23 O ATOM 768 CB GLN A 50 64.486 -3.376 7.141 1.00 1.43 C ATOM 769 CG GLN A 50 65.951 -3.618 7.510 1.00 1.58 C ATOM 770 CD GLN A 50 66.164 -3.293 8.989 1.00 2.45 C ATOM 771 OE1 GLN A 50 65.878 -2.197 9.429 1.00 3.08 O ATOM 772 NE2 GLN A 50 66.659 -4.205 9.781 1.00 3.14 N ATOM 0 H GLN A 50 63.948 -5.583 6.386 1.00 1.21 H new ATOM 0 HA GLN A 50 64.035 -4.452 8.989 1.00 1.01 H new ATOM 0 HB2 GLN A 50 64.322 -3.607 6.088 1.00 1.43 H new ATOM 0 HB3 GLN A 50 64.234 -2.325 7.279 1.00 1.43 H new ATOM 0 HG2 GLN A 50 66.220 -4.655 7.312 1.00 1.58 H new ATOM 0 HG3 GLN A 50 66.600 -2.997 6.893 1.00 1.58 H new ATOM 0 HE21 GLN A 50 66.899 -5.125 9.412 1.00 3.14 H new ATOM 0 HE22 GLN A 50 66.806 -3.998 10.769 1.00 3.14 H new ATOM 781 N ASN A 51 61.960 -3.250 9.514 1.00 0.98 N ATOM 782 CA ASN A 51 60.672 -2.567 9.831 1.00 1.08 C ATOM 783 C ASN A 51 60.936 -1.311 10.666 1.00 0.93 C ATOM 784 O ASN A 51 60.425 -1.172 11.760 1.00 1.15 O ATOM 785 CB ASN A 51 59.869 -3.588 10.637 1.00 1.52 C ATOM 786 CG ASN A 51 60.734 -4.139 11.771 1.00 1.82 C ATOM 787 OD1 ASN A 51 61.241 -5.240 11.685 1.00 2.25 O ATOM 788 ND2 ASN A 51 60.928 -3.414 12.838 1.00 2.47 N ATOM 0 H ASN A 51 62.557 -3.447 10.317 1.00 0.98 H new ATOM 0 HA ASN A 51 60.140 -2.249 8.934 1.00 1.08 H new ATOM 0 HB2 ASN A 51 58.972 -3.121 11.044 1.00 1.52 H new ATOM 0 HB3 ASN A 51 59.540 -4.400 9.989 1.00 1.52 H new ATOM 0 HD21 ASN A 51 61.505 -3.771 13.599 1.00 2.47 H new ATOM 0 HD22 ASN A 51 60.503 -2.490 12.911 1.00 2.47 H new ATOM 795 N PRO A 52 61.733 -0.436 10.116 1.00 0.72 N ATOM 796 CA PRO A 52 62.080 0.827 10.812 1.00 0.80 C ATOM 797 C PRO A 52 60.895 1.796 10.788 1.00 0.80 C ATOM 798 O PRO A 52 59.831 1.482 10.295 1.00 0.80 O ATOM 799 CB PRO A 52 63.244 1.376 9.994 1.00 0.85 C ATOM 800 CG PRO A 52 63.078 0.782 8.631 1.00 0.79 C ATOM 801 CD PRO A 52 62.381 -0.543 8.805 1.00 0.71 C ATOM 0 HA PRO A 52 62.332 0.682 11.863 1.00 0.80 H new ATOM 0 HB2 PRO A 52 63.219 2.465 9.955 1.00 0.85 H new ATOM 0 HB3 PRO A 52 64.201 1.095 10.433 1.00 0.85 H new ATOM 0 HG2 PRO A 52 62.493 1.443 7.992 1.00 0.79 H new ATOM 0 HG3 PRO A 52 64.046 0.647 8.149 1.00 0.79 H new ATOM 0 HD2 PRO A 52 61.652 -0.717 8.013 1.00 0.71 H new ATOM 0 HD3 PRO A 52 63.088 -1.372 8.776 1.00 0.71 H new ATOM 809 N THR A 53 61.074 2.976 11.318 1.00 0.87 N ATOM 810 CA THR A 53 59.962 3.968 11.324 1.00 0.92 C ATOM 811 C THR A 53 60.137 4.963 10.174 1.00 0.82 C ATOM 812 O THR A 53 61.189 5.038 9.573 1.00 0.76 O ATOM 813 CB THR A 53 60.072 4.683 12.672 1.00 1.08 C ATOM 814 OG1 THR A 53 61.353 4.434 13.237 1.00 1.26 O ATOM 815 CG2 THR A 53 58.987 4.165 13.617 1.00 1.54 C ATOM 0 H THR A 53 61.943 3.295 11.747 1.00 0.87 H new ATOM 0 HA THR A 53 58.988 3.496 11.193 1.00 0.92 H new ATOM 0 HB THR A 53 59.942 5.755 12.525 1.00 1.08 H new ATOM 0 HG1 THR A 53 61.324 4.606 14.201 1.00 1.26 H new ATOM 0 HG21 THR A 53 59.067 4.675 14.577 1.00 1.54 H new ATOM 0 HG22 THR A 53 58.005 4.357 13.184 1.00 1.54 H new ATOM 0 HG23 THR A 53 59.115 3.093 13.764 1.00 1.54 H new ATOM 823 N PRO A 54 59.090 5.696 9.908 1.00 0.82 N ATOM 824 CA PRO A 54 59.122 6.701 8.819 1.00 0.75 C ATOM 825 C PRO A 54 59.958 7.915 9.236 1.00 0.73 C ATOM 826 O PRO A 54 60.923 8.270 8.589 1.00 0.69 O ATOM 827 CB PRO A 54 57.655 7.085 8.645 1.00 0.83 C ATOM 828 CG PRO A 54 57.015 6.787 9.963 1.00 0.94 C ATOM 829 CD PRO A 54 57.793 5.658 10.590 1.00 0.93 C ATOM 0 HA PRO A 54 59.572 6.324 7.900 1.00 0.75 H new ATOM 0 HB2 PRO A 54 57.551 8.139 8.386 1.00 0.83 H new ATOM 0 HB3 PRO A 54 57.190 6.512 7.843 1.00 0.83 H new ATOM 0 HG2 PRO A 54 57.029 7.667 10.605 1.00 0.94 H new ATOM 0 HG3 PRO A 54 55.970 6.507 9.829 1.00 0.94 H new ATOM 0 HD2 PRO A 54 57.904 5.799 11.665 1.00 0.93 H new ATOM 0 HD3 PRO A 54 57.294 4.700 10.444 1.00 0.93 H new ATOM 837 N GLU A 55 59.595 8.553 10.316 1.00 0.85 N ATOM 838 CA GLU A 55 60.368 9.743 10.776 1.00 0.87 C ATOM 839 C GLU A 55 61.856 9.400 10.886 1.00 0.84 C ATOM 840 O GLU A 55 62.707 10.265 10.826 1.00 0.82 O ATOM 841 CB GLU A 55 59.792 10.077 12.153 1.00 1.02 C ATOM 842 CG GLU A 55 58.732 11.171 12.012 1.00 1.48 C ATOM 843 CD GLU A 55 57.359 10.599 12.371 1.00 2.02 C ATOM 844 OE1 GLU A 55 57.113 9.450 12.045 1.00 2.57 O ATOM 845 OE2 GLU A 55 56.575 11.322 12.965 1.00 2.53 O ATOM 0 H GLU A 55 58.797 8.302 10.900 1.00 0.85 H new ATOM 0 HA GLU A 55 60.288 10.581 10.084 1.00 0.87 H new ATOM 0 HB2 GLU A 55 59.352 9.186 12.601 1.00 1.02 H new ATOM 0 HB3 GLU A 55 60.587 10.410 12.820 1.00 1.02 H new ATOM 0 HG2 GLU A 55 58.971 12.010 12.666 1.00 1.48 H new ATOM 0 HG3 GLU A 55 58.723 11.554 10.992 1.00 1.48 H new ATOM 852 N GLU A 56 62.176 8.144 11.046 1.00 0.88 N ATOM 853 CA GLU A 56 63.610 7.750 11.161 1.00 0.91 C ATOM 854 C GLU A 56 64.256 7.691 9.774 1.00 0.80 C ATOM 855 O GLU A 56 65.296 8.273 9.542 1.00 0.81 O ATOM 856 CB GLU A 56 63.589 6.363 11.804 1.00 1.00 C ATOM 857 CG GLU A 56 63.481 6.507 13.323 1.00 1.44 C ATOM 858 CD GLU A 56 64.791 7.075 13.876 1.00 1.39 C ATOM 859 OE1 GLU A 56 65.836 6.682 13.387 1.00 1.79 O ATOM 860 OE2 GLU A 56 64.724 7.892 14.779 1.00 2.00 O ATOM 0 H GLU A 56 61.508 7.375 11.102 1.00 0.88 H new ATOM 0 HA GLU A 56 64.188 8.463 11.749 1.00 0.91 H new ATOM 0 HB2 GLU A 56 62.747 5.786 11.422 1.00 1.00 H new ATOM 0 HB3 GLU A 56 64.495 5.816 11.543 1.00 1.00 H new ATOM 0 HG2 GLU A 56 62.650 7.165 13.579 1.00 1.44 H new ATOM 0 HG3 GLU A 56 63.272 5.538 13.777 1.00 1.44 H new ATOM 867 N LEU A 57 63.648 6.994 8.851 1.00 0.75 N ATOM 868 CA LEU A 57 64.230 6.905 7.481 1.00 0.70 C ATOM 869 C LEU A 57 64.739 8.279 7.044 1.00 0.67 C ATOM 870 O LEU A 57 65.814 8.407 6.491 1.00 0.71 O ATOM 871 CB LEU A 57 63.078 6.448 6.586 1.00 0.69 C ATOM 872 CG LEU A 57 63.421 5.096 5.957 1.00 1.00 C ATOM 873 CD1 LEU A 57 63.716 4.080 7.061 1.00 1.51 C ATOM 874 CD2 LEU A 57 62.236 4.610 5.122 1.00 1.41 C ATOM 0 H LEU A 57 62.775 6.484 8.987 1.00 0.75 H new ATOM 0 HA LEU A 57 65.075 6.218 7.432 1.00 0.70 H new ATOM 0 HB2 LEU A 57 62.161 6.367 7.170 1.00 0.69 H new ATOM 0 HB3 LEU A 57 62.895 7.187 5.806 1.00 0.69 H new ATOM 0 HG LEU A 57 64.298 5.203 5.319 1.00 1.00 H new ATOM 0 HD11 LEU A 57 63.960 3.117 6.613 1.00 1.51 H new ATOM 0 HD12 LEU A 57 64.559 4.427 7.659 1.00 1.51 H new ATOM 0 HD13 LEU A 57 62.839 3.971 7.699 1.00 1.51 H new ATOM 0 HD21 LEU A 57 62.478 3.647 4.673 1.00 1.41 H new ATOM 0 HD22 LEU A 57 61.360 4.502 5.762 1.00 1.41 H new ATOM 0 HD23 LEU A 57 62.024 5.334 4.335 1.00 1.41 H new ATOM 886 N GLN A 58 63.980 9.309 7.297 1.00 0.68 N ATOM 887 CA GLN A 58 64.429 10.674 6.906 1.00 0.72 C ATOM 888 C GLN A 58 65.775 10.978 7.566 1.00 0.71 C ATOM 889 O GLN A 58 66.494 10.084 7.962 1.00 0.79 O ATOM 890 CB GLN A 58 63.345 11.616 7.432 1.00 0.79 C ATOM 891 CG GLN A 58 62.759 12.419 6.269 1.00 1.09 C ATOM 892 CD GLN A 58 61.716 11.572 5.538 1.00 1.67 C ATOM 893 OE1 GLN A 58 60.792 11.068 6.144 1.00 2.37 O ATOM 894 NE2 GLN A 58 61.826 11.392 4.250 1.00 2.20 N ATOM 0 H GLN A 58 63.070 9.265 7.756 1.00 0.68 H new ATOM 0 HA GLN A 58 64.564 10.780 5.830 1.00 0.72 H new ATOM 0 HB2 GLN A 58 62.559 11.044 7.925 1.00 0.79 H new ATOM 0 HB3 GLN A 58 63.765 12.290 8.178 1.00 0.79 H new ATOM 0 HG2 GLN A 58 62.302 13.336 6.640 1.00 1.09 H new ATOM 0 HG3 GLN A 58 63.551 12.713 5.581 1.00 1.09 H new ATOM 0 HE21 GLN A 58 62.602 11.815 3.740 1.00 2.20 H new ATOM 0 HE22 GLN A 58 61.136 10.828 3.753 1.00 2.20 H new ATOM 903 N GLU A 59 66.121 12.229 7.694 1.00 0.70 N ATOM 904 CA GLU A 59 67.423 12.576 8.333 1.00 0.72 C ATOM 905 C GLU A 59 68.571 11.882 7.591 1.00 0.73 C ATOM 906 O GLU A 59 69.203 12.458 6.728 1.00 0.75 O ATOM 907 CB GLU A 59 67.313 12.050 9.766 1.00 0.75 C ATOM 908 CG GLU A 59 67.169 13.230 10.730 1.00 1.37 C ATOM 909 CD GLU A 59 68.351 13.244 11.700 1.00 1.66 C ATOM 910 OE1 GLU A 59 68.667 12.193 12.234 1.00 2.42 O ATOM 911 OE2 GLU A 59 68.920 14.306 11.894 1.00 2.02 O ATOM 0 H GLU A 59 65.561 13.024 7.385 1.00 0.70 H new ATOM 0 HA GLU A 59 67.627 13.646 8.308 1.00 0.72 H new ATOM 0 HB2 GLU A 59 66.454 11.385 9.856 1.00 0.75 H new ATOM 0 HB3 GLU A 59 68.197 11.465 10.019 1.00 0.75 H new ATOM 0 HG2 GLU A 59 67.131 14.166 10.173 1.00 1.37 H new ATOM 0 HG3 GLU A 59 66.233 13.150 11.282 1.00 1.37 H new ATOM 918 N MET A 60 68.842 10.649 7.921 1.00 0.79 N ATOM 919 CA MET A 60 69.945 9.916 7.236 1.00 0.84 C ATOM 920 C MET A 60 69.873 10.146 5.723 1.00 0.82 C ATOM 921 O MET A 60 70.865 10.428 5.081 1.00 0.96 O ATOM 922 CB MET A 60 69.702 8.442 7.567 1.00 0.93 C ATOM 923 CG MET A 60 71.034 7.689 7.543 1.00 1.27 C ATOM 924 SD MET A 60 70.807 6.084 6.738 1.00 1.65 S ATOM 925 CE MET A 60 69.431 5.511 7.766 1.00 0.97 C ATOM 0 H MET A 60 68.347 10.117 8.636 1.00 0.79 H new ATOM 0 HA MET A 60 70.930 10.251 7.561 1.00 0.84 H new ATOM 0 HB2 MET A 60 69.237 8.350 8.549 1.00 0.93 H new ATOM 0 HB3 MET A 60 69.012 8.005 6.846 1.00 0.93 H new ATOM 0 HG2 MET A 60 71.784 8.273 7.009 1.00 1.27 H new ATOM 0 HG3 MET A 60 71.403 7.549 8.559 1.00 1.27 H new ATOM 0 HE1 MET A 60 69.449 4.423 7.825 1.00 0.97 H new ATOM 0 HE2 MET A 60 69.526 5.930 8.768 1.00 0.97 H new ATOM 0 HE3 MET A 60 68.488 5.835 7.325 1.00 0.97 H new ATOM 935 N ILE A 61 68.708 10.024 5.150 1.00 0.76 N ATOM 936 CA ILE A 61 68.571 10.233 3.680 1.00 0.78 C ATOM 937 C ILE A 61 69.188 11.574 3.274 1.00 0.77 C ATOM 938 O ILE A 61 70.260 11.628 2.704 1.00 0.82 O ATOM 939 CB ILE A 61 67.065 10.231 3.420 1.00 0.81 C ATOM 940 CG1 ILE A 61 66.508 8.829 3.674 1.00 0.90 C ATOM 941 CG2 ILE A 61 66.791 10.629 1.967 1.00 0.89 C ATOM 942 CD1 ILE A 61 64.979 8.868 3.622 1.00 0.98 C ATOM 0 H ILE A 61 67.843 9.788 5.636 1.00 0.76 H new ATOM 0 HA ILE A 61 69.085 9.464 3.103 1.00 0.78 H new ATOM 0 HB ILE A 61 66.583 10.945 4.088 1.00 0.81 H new ATOM 0 HG12 ILE A 61 66.890 8.134 2.926 1.00 0.90 H new ATOM 0 HG13 ILE A 61 66.840 8.465 4.646 1.00 0.90 H new ATOM 0 HG21 ILE A 61 65.716 10.626 1.786 1.00 0.89 H new ATOM 0 HG22 ILE A 61 67.188 11.627 1.782 1.00 0.89 H new ATOM 0 HG23 ILE A 61 67.274 9.917 1.298 1.00 0.89 H new ATOM 0 HD11 ILE A 61 64.583 7.869 3.803 1.00 0.98 H new ATOM 0 HD12 ILE A 61 64.606 9.550 4.386 1.00 0.98 H new ATOM 0 HD13 ILE A 61 64.657 9.213 2.640 1.00 0.98 H new ATOM 954 N ASP A 62 68.520 12.657 3.560 1.00 0.82 N ATOM 955 CA ASP A 62 69.067 13.993 3.185 1.00 0.90 C ATOM 956 C ASP A 62 70.528 14.112 3.627 1.00 0.85 C ATOM 957 O ASP A 62 71.281 14.910 3.106 1.00 0.91 O ATOM 958 CB ASP A 62 68.197 15.002 3.934 1.00 1.03 C ATOM 959 CG ASP A 62 68.557 16.419 3.480 1.00 1.58 C ATOM 960 OD1 ASP A 62 68.754 16.607 2.291 1.00 2.06 O ATOM 961 OD2 ASP A 62 68.629 17.291 4.331 1.00 2.24 O ATOM 0 H ASP A 62 67.619 12.676 4.037 1.00 0.82 H new ATOM 0 HA ASP A 62 69.048 14.158 2.108 1.00 0.90 H new ATOM 0 HB2 ASP A 62 67.143 14.803 3.742 1.00 1.03 H new ATOM 0 HB3 ASP A 62 68.349 14.903 5.009 1.00 1.03 H new ATOM 966 N GLU A 63 70.934 13.328 4.588 1.00 0.84 N ATOM 967 CA GLU A 63 72.345 13.403 5.063 1.00 0.91 C ATOM 968 C GLU A 63 73.211 12.379 4.325 1.00 1.01 C ATOM 969 O GLU A 63 74.415 12.343 4.479 1.00 1.32 O ATOM 970 CB GLU A 63 72.279 13.076 6.555 1.00 0.99 C ATOM 971 CG GLU A 63 71.512 14.180 7.285 1.00 1.35 C ATOM 972 CD GLU A 63 72.421 14.827 8.332 1.00 1.55 C ATOM 973 OE1 GLU A 63 73.627 14.693 8.203 1.00 2.14 O ATOM 974 OE2 GLU A 63 71.896 15.446 9.242 1.00 2.00 O ATOM 0 H GLU A 63 70.351 12.640 5.064 1.00 0.84 H new ATOM 0 HA GLU A 63 72.789 14.381 4.879 1.00 0.91 H new ATOM 0 HB2 GLU A 63 71.787 12.115 6.706 1.00 0.99 H new ATOM 0 HB3 GLU A 63 73.286 12.986 6.964 1.00 0.99 H new ATOM 0 HG2 GLU A 63 71.168 14.930 6.573 1.00 1.35 H new ATOM 0 HG3 GLU A 63 70.625 13.765 7.764 1.00 1.35 H new ATOM 981 N VAL A 64 72.606 11.547 3.523 1.00 0.92 N ATOM 982 CA VAL A 64 73.394 10.527 2.773 1.00 1.07 C ATOM 983 C VAL A 64 73.032 10.573 1.288 1.00 1.13 C ATOM 984 O VAL A 64 73.860 10.355 0.425 1.00 1.54 O ATOM 985 CB VAL A 64 72.991 9.186 3.394 1.00 1.23 C ATOM 986 CG1 VAL A 64 71.644 8.728 2.827 1.00 2.24 C ATOM 987 CG2 VAL A 64 74.060 8.138 3.078 1.00 1.42 C ATOM 0 H VAL A 64 71.600 11.529 3.354 1.00 0.92 H new ATOM 0 HA VAL A 64 74.469 10.696 2.839 1.00 1.07 H new ATOM 0 HB VAL A 64 72.901 9.305 4.474 1.00 1.23 H new ATOM 0 HG11 VAL A 64 71.366 7.774 3.275 1.00 2.24 H new ATOM 0 HG12 VAL A 64 70.881 9.472 3.056 1.00 2.24 H new ATOM 0 HG13 VAL A 64 71.725 8.612 1.746 1.00 2.24 H new ATOM 0 HG21 VAL A 64 73.775 7.183 3.519 1.00 1.42 H new ATOM 0 HG22 VAL A 64 74.151 8.026 1.998 1.00 1.42 H new ATOM 0 HG23 VAL A 64 75.016 8.458 3.492 1.00 1.42 H new ATOM 997 N ASP A 65 71.796 10.854 0.988 1.00 1.00 N ATOM 998 CA ASP A 65 71.367 10.914 -0.439 1.00 1.14 C ATOM 999 C ASP A 65 71.003 12.351 -0.822 1.00 1.45 C ATOM 1000 O ASP A 65 69.883 12.640 -1.198 1.00 1.74 O ATOM 1001 CB ASP A 65 70.136 10.010 -0.522 1.00 1.21 C ATOM 1002 CG ASP A 65 70.243 9.111 -1.754 1.00 2.09 C ATOM 1003 OD1 ASP A 65 71.242 9.207 -2.448 1.00 2.63 O ATOM 1004 OD2 ASP A 65 69.326 8.340 -1.983 1.00 2.83 O ATOM 0 H ASP A 65 71.062 11.045 1.670 1.00 1.00 H new ATOM 0 HA ASP A 65 72.155 10.593 -1.120 1.00 1.14 H new ATOM 0 HB2 ASP A 65 70.057 9.402 0.379 1.00 1.21 H new ATOM 0 HB3 ASP A 65 69.231 10.615 -0.578 1.00 1.21 H new ATOM 1043 N SER A 69 67.635 13.427 -4.379 1.00 1.42 N ATOM 1044 CA SER A 69 66.427 14.292 -4.500 1.00 1.79 C ATOM 1045 C SER A 69 65.232 13.631 -3.809 1.00 1.42 C ATOM 1046 O SER A 69 64.094 13.851 -4.171 1.00 1.97 O ATOM 1047 CB SER A 69 66.178 14.415 -6.002 1.00 2.79 C ATOM 1048 OG SER A 69 65.449 15.608 -6.261 1.00 3.72 O ATOM 0 HA SER A 69 66.566 15.265 -4.029 1.00 1.79 H new ATOM 0 HB2 SER A 69 67.126 14.431 -6.539 1.00 2.79 H new ATOM 0 HB3 SER A 69 65.622 13.550 -6.362 1.00 2.79 H new ATOM 0 HG SER A 69 65.289 15.691 -7.224 1.00 3.72 H new ATOM 1054 N GLY A 70 65.483 12.821 -2.817 1.00 1.01 N ATOM 1055 CA GLY A 70 64.361 12.146 -2.103 1.00 1.07 C ATOM 1056 C GLY A 70 64.133 10.757 -2.706 1.00 0.84 C ATOM 1057 O GLY A 70 63.070 10.181 -2.576 1.00 0.87 O ATOM 0 H GLY A 70 66.416 12.597 -2.470 1.00 1.01 H new ATOM 0 HA2 GLY A 70 64.591 12.060 -1.041 1.00 1.07 H new ATOM 0 HA3 GLY A 70 63.453 12.743 -2.185 1.00 1.07 H new ATOM 1061 N THR A 71 65.121 10.215 -3.364 1.00 0.70 N ATOM 1062 CA THR A 71 64.958 8.864 -3.973 1.00 0.55 C ATOM 1063 C THR A 71 66.297 8.119 -3.978 1.00 0.54 C ATOM 1064 O THR A 71 67.339 8.698 -4.216 1.00 0.72 O ATOM 1065 CB THR A 71 64.486 9.126 -5.404 1.00 0.60 C ATOM 1066 OG1 THR A 71 65.573 9.620 -6.176 1.00 0.83 O ATOM 1067 CG2 THR A 71 63.356 10.158 -5.392 1.00 0.81 C ATOM 0 H THR A 71 66.033 10.649 -3.506 1.00 0.70 H new ATOM 0 HA THR A 71 64.252 8.246 -3.418 1.00 0.55 H new ATOM 0 HB THR A 71 64.120 8.197 -5.841 1.00 0.60 H new ATOM 0 HG1 THR A 71 65.273 9.787 -7.094 1.00 0.83 H new ATOM 0 HG21 THR A 71 63.021 10.343 -6.413 1.00 0.81 H new ATOM 0 HG22 THR A 71 62.523 9.779 -4.800 1.00 0.81 H new ATOM 0 HG23 THR A 71 63.718 11.089 -4.954 1.00 0.81 H new ATOM 1075 N VAL A 72 66.277 6.840 -3.717 1.00 0.52 N ATOM 1076 CA VAL A 72 67.553 6.061 -3.707 1.00 0.65 C ATOM 1077 C VAL A 72 67.665 5.179 -4.949 1.00 0.56 C ATOM 1078 O VAL A 72 66.699 4.924 -5.639 1.00 0.57 O ATOM 1079 CB VAL A 72 67.515 5.179 -2.453 1.00 0.92 C ATOM 1080 CG1 VAL A 72 68.034 5.975 -1.262 1.00 1.52 C ATOM 1081 CG2 VAL A 72 66.087 4.705 -2.166 1.00 1.23 C ATOM 0 H VAL A 72 65.436 6.300 -3.511 1.00 0.52 H new ATOM 0 HA VAL A 72 68.411 6.734 -3.705 1.00 0.65 H new ATOM 0 HB VAL A 72 68.144 4.305 -2.621 1.00 0.92 H new ATOM 0 HG11 VAL A 72 68.008 5.351 -0.369 1.00 1.52 H new ATOM 0 HG12 VAL A 72 69.059 6.291 -1.455 1.00 1.52 H new ATOM 0 HG13 VAL A 72 67.406 6.853 -1.110 1.00 1.52 H new ATOM 0 HG21 VAL A 72 66.083 4.081 -1.272 1.00 1.23 H new ATOM 0 HG22 VAL A 72 65.442 5.569 -2.008 1.00 1.23 H new ATOM 0 HG23 VAL A 72 65.718 4.127 -3.013 1.00 1.23 H new ATOM 1091 N ASP A 73 68.845 4.698 -5.220 1.00 0.64 N ATOM 1092 CA ASP A 73 69.047 3.812 -6.397 1.00 0.70 C ATOM 1093 C ASP A 73 69.571 2.458 -5.916 1.00 0.70 C ATOM 1094 O ASP A 73 70.022 2.324 -4.796 1.00 0.71 O ATOM 1095 CB ASP A 73 70.099 4.518 -7.256 1.00 0.85 C ATOM 1096 CG ASP A 73 69.729 5.993 -7.416 1.00 1.25 C ATOM 1097 OD1 ASP A 73 69.609 6.669 -6.407 1.00 1.72 O ATOM 1098 OD2 ASP A 73 69.574 6.426 -8.546 1.00 1.91 O ATOM 0 H ASP A 73 69.685 4.883 -4.671 1.00 0.64 H new ATOM 0 HA ASP A 73 68.129 3.636 -6.957 1.00 0.70 H new ATOM 0 HB2 ASP A 73 71.081 4.428 -6.792 1.00 0.85 H new ATOM 0 HB3 ASP A 73 70.163 4.041 -8.234 1.00 0.85 H new ATOM 1103 N PHE A 74 69.520 1.452 -6.742 1.00 0.81 N ATOM 1104 CA PHE A 74 70.024 0.121 -6.301 1.00 0.87 C ATOM 1105 C PHE A 74 71.399 0.276 -5.648 1.00 0.76 C ATOM 1106 O PHE A 74 71.819 -0.545 -4.856 1.00 0.74 O ATOM 1107 CB PHE A 74 70.125 -0.711 -7.579 1.00 1.04 C ATOM 1108 CG PHE A 74 69.942 -2.171 -7.242 1.00 1.34 C ATOM 1109 CD1 PHE A 74 68.764 -2.603 -6.621 1.00 2.11 C ATOM 1110 CD2 PHE A 74 70.951 -3.091 -7.547 1.00 2.16 C ATOM 1111 CE1 PHE A 74 68.595 -3.957 -6.307 1.00 3.02 C ATOM 1112 CE2 PHE A 74 70.781 -4.445 -7.234 1.00 3.14 C ATOM 1113 CZ PHE A 74 69.604 -4.878 -6.612 1.00 3.42 C ATOM 0 H PHE A 74 69.155 1.491 -7.694 1.00 0.81 H new ATOM 0 HA PHE A 74 69.371 -0.348 -5.565 1.00 0.87 H new ATOM 0 HB2 PHE A 74 69.366 -0.393 -8.294 1.00 1.04 H new ATOM 0 HB3 PHE A 74 71.094 -0.554 -8.053 1.00 1.04 H new ATOM 0 HD1 PHE A 74 67.986 -1.892 -6.384 1.00 2.11 H new ATOM 0 HD2 PHE A 74 71.861 -2.757 -8.024 1.00 2.16 H new ATOM 0 HE1 PHE A 74 67.686 -4.291 -5.829 1.00 3.02 H new ATOM 0 HE2 PHE A 74 71.558 -5.156 -7.473 1.00 3.14 H new ATOM 0 HZ PHE A 74 69.475 -5.922 -6.368 1.00 3.42 H new ATOM 1123 N ASP A 75 72.102 1.327 -5.973 1.00 0.79 N ATOM 1124 CA ASP A 75 73.450 1.541 -5.374 1.00 0.78 C ATOM 1125 C ASP A 75 73.322 2.136 -3.967 1.00 0.71 C ATOM 1126 O ASP A 75 74.110 1.847 -3.089 1.00 0.67 O ATOM 1127 CB ASP A 75 74.147 2.527 -6.311 1.00 0.96 C ATOM 1128 CG ASP A 75 75.632 2.177 -6.409 1.00 1.50 C ATOM 1129 OD1 ASP A 75 75.952 1.004 -6.301 1.00 1.99 O ATOM 1130 OD2 ASP A 75 76.425 3.087 -6.590 1.00 2.18 O ATOM 0 H ASP A 75 71.800 2.048 -6.629 1.00 0.79 H new ATOM 0 HA ASP A 75 74.007 0.609 -5.272 1.00 0.78 H new ATOM 0 HB2 ASP A 75 73.688 2.492 -7.299 1.00 0.96 H new ATOM 0 HB3 ASP A 75 74.026 3.545 -5.940 1.00 0.96 H new ATOM 1135 N GLU A 76 72.338 2.968 -3.745 1.00 0.74 N ATOM 1136 CA GLU A 76 72.171 3.577 -2.394 1.00 0.72 C ATOM 1137 C GLU A 76 71.409 2.622 -1.472 1.00 0.61 C ATOM 1138 O GLU A 76 71.866 2.285 -0.397 1.00 0.60 O ATOM 1139 CB GLU A 76 71.363 4.853 -2.631 1.00 0.82 C ATOM 1140 CG GLU A 76 72.015 5.670 -3.747 1.00 0.96 C ATOM 1141 CD GLU A 76 73.271 6.359 -3.209 1.00 1.36 C ATOM 1142 OE1 GLU A 76 73.557 6.194 -2.034 1.00 2.01 O ATOM 1143 OE2 GLU A 76 73.927 7.040 -3.981 1.00 2.14 O ATOM 0 H GLU A 76 71.646 3.251 -4.439 1.00 0.74 H new ATOM 0 HA GLU A 76 73.128 3.784 -1.914 1.00 0.72 H new ATOM 0 HB2 GLU A 76 70.337 4.602 -2.901 1.00 0.82 H new ATOM 0 HB3 GLU A 76 71.316 5.442 -1.715 1.00 0.82 H new ATOM 0 HG2 GLU A 76 72.274 5.021 -4.584 1.00 0.96 H new ATOM 0 HG3 GLU A 76 71.313 6.413 -4.125 1.00 0.96 H new ATOM 1150 N PHE A 77 70.248 2.185 -1.882 1.00 0.60 N ATOM 1151 CA PHE A 77 69.458 1.253 -1.026 1.00 0.54 C ATOM 1152 C PHE A 77 70.374 0.194 -0.405 1.00 0.48 C ATOM 1153 O PHE A 77 70.416 0.022 0.797 1.00 0.55 O ATOM 1154 CB PHE A 77 68.452 0.601 -1.974 1.00 0.61 C ATOM 1155 CG PHE A 77 67.567 -0.344 -1.196 1.00 0.67 C ATOM 1156 CD1 PHE A 77 67.090 0.025 0.067 1.00 1.30 C ATOM 1157 CD2 PHE A 77 67.224 -1.588 -1.739 1.00 1.52 C ATOM 1158 CE1 PHE A 77 66.268 -0.850 0.787 1.00 1.38 C ATOM 1159 CE2 PHE A 77 66.402 -2.464 -1.018 1.00 1.78 C ATOM 1160 CZ PHE A 77 65.925 -2.094 0.245 1.00 1.25 C ATOM 0 H PHE A 77 69.813 2.433 -2.771 1.00 0.60 H new ATOM 0 HA PHE A 77 68.967 1.769 -0.201 1.00 0.54 H new ATOM 0 HB2 PHE A 77 67.847 1.366 -2.461 1.00 0.61 H new ATOM 0 HB3 PHE A 77 68.976 0.060 -2.762 1.00 0.61 H new ATOM 0 HD1 PHE A 77 67.356 0.984 0.486 1.00 1.30 H new ATOM 0 HD2 PHE A 77 67.593 -1.872 -2.713 1.00 1.52 H new ATOM 0 HE1 PHE A 77 65.898 -0.565 1.761 1.00 1.38 H new ATOM 0 HE2 PHE A 77 66.137 -3.424 -1.436 1.00 1.78 H new ATOM 0 HZ PHE A 77 65.292 -2.769 0.802 1.00 1.25 H new ATOM 1170 N LEU A 78 71.107 -0.517 -1.217 1.00 0.46 N ATOM 1171 CA LEU A 78 72.019 -1.565 -0.673 1.00 0.49 C ATOM 1172 C LEU A 78 72.782 -1.028 0.540 1.00 0.48 C ATOM 1173 O LEU A 78 72.834 -1.654 1.580 1.00 0.54 O ATOM 1174 CB LEU A 78 72.984 -1.882 -1.817 1.00 0.56 C ATOM 1175 CG LEU A 78 72.347 -2.911 -2.752 1.00 0.78 C ATOM 1176 CD1 LEU A 78 73.258 -3.135 -3.960 1.00 1.70 C ATOM 1177 CD2 LEU A 78 72.162 -4.233 -2.002 1.00 0.70 C ATOM 0 H LEU A 78 71.115 -0.419 -2.232 1.00 0.46 H new ATOM 0 HA LEU A 78 71.477 -2.450 -0.339 1.00 0.49 H new ATOM 0 HB2 LEU A 78 73.222 -0.972 -2.368 1.00 0.56 H new ATOM 0 HB3 LEU A 78 73.922 -2.268 -1.419 1.00 0.56 H new ATOM 0 HG LEU A 78 71.378 -2.545 -3.091 1.00 0.78 H new ATOM 0 HD11 LEU A 78 72.804 -3.868 -4.627 1.00 1.70 H new ATOM 0 HD12 LEU A 78 73.393 -2.194 -4.493 1.00 1.70 H new ATOM 0 HD13 LEU A 78 74.227 -3.502 -3.622 1.00 1.70 H new ATOM 0 HD21 LEU A 78 71.708 -4.968 -2.667 1.00 0.70 H new ATOM 0 HD22 LEU A 78 73.132 -4.599 -1.665 1.00 0.70 H new ATOM 0 HD23 LEU A 78 71.514 -4.075 -1.140 1.00 0.70 H new ATOM 1189 N VAL A 79 73.374 0.128 0.416 1.00 0.46 N ATOM 1190 CA VAL A 79 74.135 0.704 1.562 1.00 0.51 C ATOM 1191 C VAL A 79 73.189 1.013 2.725 1.00 0.53 C ATOM 1192 O VAL A 79 73.476 0.712 3.868 1.00 0.64 O ATOM 1193 CB VAL A 79 74.755 1.991 1.017 1.00 0.54 C ATOM 1194 CG1 VAL A 79 75.591 2.658 2.110 1.00 0.67 C ATOM 1195 CG2 VAL A 79 75.651 1.655 -0.178 1.00 0.62 C ATOM 0 H VAL A 79 73.364 0.699 -0.429 1.00 0.46 H new ATOM 0 HA VAL A 79 74.890 0.017 1.944 1.00 0.51 H new ATOM 0 HB VAL A 79 73.964 2.671 0.701 1.00 0.54 H new ATOM 0 HG11 VAL A 79 76.033 3.575 1.721 1.00 0.67 H new ATOM 0 HG12 VAL A 79 74.954 2.895 2.962 1.00 0.67 H new ATOM 0 HG13 VAL A 79 76.383 1.980 2.427 1.00 0.67 H new ATOM 0 HG21 VAL A 79 76.095 2.571 -0.569 1.00 0.62 H new ATOM 0 HG22 VAL A 79 76.442 0.976 0.140 1.00 0.62 H new ATOM 0 HG23 VAL A 79 75.055 1.179 -0.957 1.00 0.62 H new ATOM 1205 N MET A 80 72.063 1.609 2.446 1.00 0.52 N ATOM 1206 CA MET A 80 71.100 1.935 3.536 1.00 0.60 C ATOM 1207 C MET A 80 70.660 0.656 4.252 1.00 0.62 C ATOM 1208 O MET A 80 70.446 0.643 5.448 1.00 0.71 O ATOM 1209 CB MET A 80 69.912 2.590 2.831 1.00 0.66 C ATOM 1210 CG MET A 80 70.015 4.110 2.958 1.00 1.11 C ATOM 1211 SD MET A 80 68.358 4.815 3.142 1.00 1.23 S ATOM 1212 CE MET A 80 68.560 6.178 1.967 1.00 0.86 C ATOM 0 H MET A 80 71.767 1.885 1.510 1.00 0.52 H new ATOM 0 HA MET A 80 71.537 2.588 4.292 1.00 0.60 H new ATOM 0 HB2 MET A 80 69.897 2.303 1.780 1.00 0.66 H new ATOM 0 HB3 MET A 80 68.978 2.241 3.270 1.00 0.66 H new ATOM 0 HG2 MET A 80 70.631 4.373 3.818 1.00 1.11 H new ATOM 0 HG3 MET A 80 70.503 4.527 2.077 1.00 1.11 H new ATOM 0 HE1 MET A 80 67.604 6.391 1.490 1.00 0.86 H new ATOM 0 HE2 MET A 80 68.908 7.066 2.496 1.00 0.86 H new ATOM 0 HE3 MET A 80 69.290 5.899 1.208 1.00 0.86 H new ATOM 1222 N MET A 81 70.522 -0.420 3.528 1.00 0.61 N ATOM 1223 CA MET A 81 70.093 -1.700 4.164 1.00 0.72 C ATOM 1224 C MET A 81 71.202 -2.241 5.070 1.00 0.79 C ATOM 1225 O MET A 81 70.988 -2.509 6.235 1.00 0.91 O ATOM 1226 CB MET A 81 69.840 -2.655 2.996 1.00 0.75 C ATOM 1227 CG MET A 81 68.366 -3.065 2.983 1.00 1.01 C ATOM 1228 SD MET A 81 67.997 -4.037 4.465 1.00 1.71 S ATOM 1229 CE MET A 81 68.940 -5.512 4.007 1.00 1.66 C ATOM 0 H MET A 81 70.688 -0.470 2.523 1.00 0.61 H new ATOM 0 HA MET A 81 69.209 -1.575 4.789 1.00 0.72 H new ATOM 0 HB2 MET A 81 70.103 -2.173 2.054 1.00 0.75 H new ATOM 0 HB3 MET A 81 70.473 -3.537 3.090 1.00 0.75 H new ATOM 0 HG2 MET A 81 67.731 -2.179 2.949 1.00 1.01 H new ATOM 0 HG3 MET A 81 68.148 -3.649 2.089 1.00 1.01 H new ATOM 0 HE1 MET A 81 68.293 -6.388 4.059 1.00 1.66 H new ATOM 0 HE2 MET A 81 69.319 -5.400 2.991 1.00 1.66 H new ATOM 0 HE3 MET A 81 69.776 -5.637 4.695 1.00 1.66 H new ATOM 1239 N VAL A 82 72.384 -2.408 4.544 1.00 0.78 N ATOM 1240 CA VAL A 82 73.503 -2.936 5.377 1.00 0.90 C ATOM 1241 C VAL A 82 73.831 -1.959 6.509 1.00 0.94 C ATOM 1242 O VAL A 82 74.432 -2.323 7.501 1.00 1.13 O ATOM 1243 CB VAL A 82 74.686 -3.059 4.417 1.00 0.98 C ATOM 1244 CG1 VAL A 82 74.304 -3.969 3.249 1.00 1.83 C ATOM 1245 CG2 VAL A 82 75.054 -1.673 3.882 1.00 1.38 C ATOM 0 H VAL A 82 72.624 -2.202 3.574 1.00 0.78 H new ATOM 0 HA VAL A 82 73.254 -3.889 5.844 1.00 0.90 H new ATOM 0 HB VAL A 82 75.539 -3.485 4.945 1.00 0.98 H new ATOM 0 HG11 VAL A 82 75.148 -4.056 2.565 1.00 1.83 H new ATOM 0 HG12 VAL A 82 74.041 -4.956 3.628 1.00 1.83 H new ATOM 0 HG13 VAL A 82 73.451 -3.544 2.720 1.00 1.83 H new ATOM 0 HG21 VAL A 82 75.898 -1.760 3.197 1.00 1.38 H new ATOM 0 HG22 VAL A 82 74.200 -1.248 3.354 1.00 1.38 H new ATOM 0 HG23 VAL A 82 75.327 -1.023 4.713 1.00 1.38 H new ATOM 1255 N ARG A 83 73.442 -0.721 6.372 1.00 0.84 N ATOM 1256 CA ARG A 83 73.734 0.276 7.442 1.00 0.93 C ATOM 1257 C ARG A 83 72.644 0.237 8.517 1.00 0.93 C ATOM 1258 O ARG A 83 72.760 0.860 9.554 1.00 1.23 O ATOM 1259 CB ARG A 83 73.738 1.630 6.731 1.00 0.95 C ATOM 1260 CG ARG A 83 74.333 2.691 7.660 1.00 1.53 C ATOM 1261 CD ARG A 83 73.424 3.922 7.677 1.00 1.50 C ATOM 1262 NE ARG A 83 72.821 3.934 9.039 1.00 1.75 N ATOM 1263 CZ ARG A 83 73.537 4.301 10.067 1.00 2.02 C ATOM 1264 NH1 ARG A 83 73.922 5.542 10.185 1.00 2.44 N ATOM 1265 NH2 ARG A 83 73.869 3.424 10.975 1.00 2.58 N ATOM 0 H ARG A 83 72.935 -0.356 5.566 1.00 0.84 H new ATOM 0 HA ARG A 83 74.680 0.076 7.944 1.00 0.93 H new ATOM 0 HB2 ARG A 83 74.320 1.568 5.811 1.00 0.95 H new ATOM 0 HB3 ARG A 83 72.723 1.907 6.448 1.00 0.95 H new ATOM 0 HG2 ARG A 83 74.438 2.289 8.668 1.00 1.53 H new ATOM 0 HG3 ARG A 83 75.331 2.968 7.321 1.00 1.53 H new ATOM 0 HD2 ARG A 83 73.990 4.834 7.488 1.00 1.50 H new ATOM 0 HD3 ARG A 83 72.657 3.857 6.906 1.00 1.50 H new ATOM 0 HE ARG A 83 71.848 3.655 9.168 1.00 1.75 H new ATOM 0 HH11 ARG A 83 73.664 6.226 9.474 1.00 2.44 H new ATOM 0 HH12 ARG A 83 74.481 5.828 10.988 1.00 2.44 H new ATOM 0 HH21 ARG A 83 73.569 2.454 10.881 1.00 2.58 H new ATOM 0 HH22 ARG A 83 74.428 3.709 11.779 1.00 2.58 H new ATOM 1279 N CYS A 84 71.585 -0.488 8.280 1.00 0.81 N ATOM 1280 CA CYS A 84 70.491 -0.560 9.292 1.00 0.94 C ATOM 1281 C CYS A 84 70.189 -2.020 9.647 1.00 1.01 C ATOM 1282 O CYS A 84 69.141 -2.335 10.174 1.00 1.67 O ATOM 1283 CB CYS A 84 69.284 0.089 8.616 1.00 1.20 C ATOM 1284 SG CYS A 84 68.561 1.322 9.727 1.00 1.56 S ATOM 0 H CYS A 84 71.429 -1.033 7.432 1.00 0.81 H new ATOM 0 HA CYS A 84 70.757 -0.058 10.222 1.00 0.94 H new ATOM 0 HB2 CYS A 84 69.587 0.560 7.681 1.00 1.20 H new ATOM 0 HB3 CYS A 84 68.543 -0.670 8.365 1.00 1.20 H new ATOM 0 HG CYS A 84 67.535 1.876 9.152 1.00 1.56 H new ATOM 1290 N MET A 85 71.099 -2.911 9.364 1.00 1.25 N ATOM 1291 CA MET A 85 70.861 -4.348 9.688 1.00 1.43 C ATOM 1292 C MET A 85 71.311 -4.647 11.121 1.00 1.78 C ATOM 1293 O MET A 85 71.882 -3.809 11.790 1.00 2.66 O ATOM 1294 CB MET A 85 71.713 -5.127 8.686 1.00 1.49 C ATOM 1295 CG MET A 85 73.191 -4.983 9.053 1.00 1.71 C ATOM 1296 SD MET A 85 74.212 -5.343 7.601 1.00 1.93 S ATOM 1297 CE MET A 85 73.624 -7.031 7.325 1.00 1.59 C ATOM 0 H MET A 85 71.996 -2.708 8.923 1.00 1.25 H new ATOM 0 HA MET A 85 69.807 -4.617 9.622 1.00 1.43 H new ATOM 0 HB2 MET A 85 71.427 -6.179 8.690 1.00 1.49 H new ATOM 0 HB3 MET A 85 71.540 -4.753 7.677 1.00 1.49 H new ATOM 0 HG2 MET A 85 73.391 -3.973 9.410 1.00 1.71 H new ATOM 0 HG3 MET A 85 73.443 -5.664 9.866 1.00 1.71 H new ATOM 0 HE1 MET A 85 74.356 -7.579 6.732 1.00 1.59 H new ATOM 0 HE2 MET A 85 73.487 -7.530 8.284 1.00 1.59 H new ATOM 0 HE3 MET A 85 72.674 -7.003 6.792 1.00 1.59 H new