USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=17 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 Set 1.1: A 60 MET CE :methyl 160:sc= 0 (180deg=-0.353) USER MOD Set 1.2: A 84 CYS SG : rot 180:sc= -0.734 USER MOD Set 2.1: A 50 GLN : amide:sc= -0.173 K(o=-3,f=-4.6) USER MOD Set 2.2: A 81 MET CE :methyl -134:sc= -2.83! (180deg=-5.66!) USER MOD Set 3.1: A 13 THR OG1 : rot 180:sc= -1.06 USER MOD Set 3.2: A 16 GLN : amide:sc= 0 X(o=-1.1,f=-1.1) 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 X(o=0,f=-0.047) USER MOD Single : A 17 LYS NZ :NH3+ 153:sc= -0.46 (180deg=-2.28!) USER MOD Single : A 18 ASN : amide:sc= -0.0235 X(o=-0.024,f=-0.27) USER MOD Single : A 21 LYS NZ :NH3+ 159:sc= -0.0238 (180deg=-0.586) USER MOD Single : A 35 CYS SG : rot 180:sc= -3.86! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 150:sc= -1.24 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 172:sc= -1.07 (180deg=-1.25) USER MOD Single : A 47 MET CE :methyl -150:sc= -0.0459 (180deg=-1.22) USER MOD Single : A 51 ASN : amide:sc= -1.15 K(o=-1.2,f=-7!) USER MOD Single : A 53 THR OG1 : rot 130:sc= -4.77! USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 69 SER OG : rot 42:sc= 0.812 USER MOD Single : A 71 THR OG1 : rot 25:sc= 0.107 USER MOD Single : A 80 MET CE :methyl -154:sc= -2.87! (180deg=-2.93!) USER MOD Single : A 85 MET CE :methyl -178:sc= -1.1 (180deg=-1.13) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE A 4 83.093 3.661 1.907 1.00 0.90 N ATOM 45 CA ILE A 4 83.343 2.526 2.842 1.00 0.89 C ATOM 46 C ILE A 4 82.140 1.580 2.858 1.00 0.82 C ATOM 47 O ILE A 4 82.259 0.415 3.183 1.00 0.85 O ATOM 48 CB ILE A 4 83.530 3.177 4.212 1.00 0.85 C ATOM 49 CG1 ILE A 4 82.183 3.707 4.710 1.00 1.02 C ATOM 50 CG2 ILE A 4 84.522 4.336 4.097 1.00 0.75 C ATOM 51 CD1 ILE A 4 82.401 4.563 5.959 1.00 1.74 C ATOM 0 HA ILE A 4 84.210 1.933 2.550 1.00 0.89 H new ATOM 0 HB ILE A 4 83.915 2.439 4.916 1.00 0.85 H new ATOM 0 HG12 ILE A 4 81.702 4.298 3.931 1.00 1.02 H new ATOM 0 HG13 ILE A 4 81.515 2.876 4.938 1.00 1.02 H new ATOM 0 HG21 ILE A 4 84.655 4.800 5.074 1.00 0.75 H new ATOM 0 HG22 ILE A 4 85.481 3.960 3.740 1.00 0.75 H new ATOM 0 HG23 ILE A 4 84.138 5.075 3.394 1.00 0.75 H new ATOM 0 HD11 ILE A 4 81.442 4.940 6.313 1.00 1.74 H new ATOM 0 HD12 ILE A 4 82.863 3.958 6.739 1.00 1.74 H new ATOM 0 HD13 ILE A 4 83.053 5.402 5.716 1.00 1.74 H new ATOM 63 N TYR A 5 80.982 2.073 2.513 1.00 0.78 N ATOM 64 CA TYR A 5 79.773 1.201 2.510 1.00 0.78 C ATOM 65 C TYR A 5 79.821 0.230 1.328 1.00 0.92 C ATOM 66 O TYR A 5 79.341 -0.884 1.407 1.00 0.99 O ATOM 67 CB TYR A 5 78.592 2.163 2.367 1.00 0.78 C ATOM 68 CG TYR A 5 78.583 3.124 3.531 1.00 0.92 C ATOM 69 CD1 TYR A 5 77.911 2.786 4.711 1.00 1.31 C ATOM 70 CD2 TYR A 5 79.244 4.354 3.429 1.00 1.77 C ATOM 71 CE1 TYR A 5 77.901 3.676 5.791 1.00 1.36 C ATOM 72 CE2 TYR A 5 79.234 5.244 4.509 1.00 2.00 C ATOM 73 CZ TYR A 5 78.563 4.907 5.689 1.00 1.35 C ATOM 74 OH TYR A 5 78.553 5.785 6.754 1.00 1.60 O ATOM 0 H TYR A 5 80.821 3.041 2.233 1.00 0.78 H new ATOM 0 HA TYR A 5 79.699 0.595 3.413 1.00 0.78 H new ATOM 0 HB2 TYR A 5 78.668 2.712 1.429 1.00 0.78 H new ATOM 0 HB3 TYR A 5 77.656 1.605 2.335 1.00 0.78 H new ATOM 0 HD1 TYR A 5 77.400 1.838 4.788 1.00 1.31 H new ATOM 0 HD2 TYR A 5 79.761 4.616 2.518 1.00 1.77 H new ATOM 0 HE1 TYR A 5 77.384 3.414 6.702 1.00 1.36 H new ATOM 0 HE2 TYR A 5 79.745 6.192 4.431 1.00 2.00 H new ATOM 0 HH TYR A 5 79.059 6.591 6.519 1.00 1.60 H new ATOM 84 N LYS A 6 80.397 0.642 0.231 1.00 1.02 N ATOM 85 CA LYS A 6 80.474 -0.261 -0.953 1.00 1.19 C ATOM 86 C LYS A 6 80.862 -1.675 -0.513 1.00 1.15 C ATOM 87 O LYS A 6 80.470 -2.652 -1.118 1.00 1.19 O ATOM 88 CB LYS A 6 81.560 0.343 -1.844 1.00 1.38 C ATOM 89 CG LYS A 6 82.922 0.200 -1.160 1.00 1.86 C ATOM 90 CD LYS A 6 84.029 0.577 -2.146 1.00 1.94 C ATOM 91 CE LYS A 6 84.870 -0.660 -2.468 1.00 2.16 C ATOM 92 NZ LYS A 6 84.086 -1.401 -3.497 1.00 2.91 N ATOM 0 H LYS A 6 80.817 1.563 0.104 1.00 1.02 H new ATOM 0 HA LYS A 6 79.520 -0.341 -1.475 1.00 1.19 H new ATOM 0 HB2 LYS A 6 81.573 -0.160 -2.811 1.00 1.38 H new ATOM 0 HB3 LYS A 6 81.346 1.395 -2.034 1.00 1.38 H new ATOM 0 HG2 LYS A 6 82.969 0.843 -0.281 1.00 1.86 H new ATOM 0 HG3 LYS A 6 83.062 -0.824 -0.814 1.00 1.86 H new ATOM 0 HD2 LYS A 6 83.594 0.982 -3.060 1.00 1.94 H new ATOM 0 HD3 LYS A 6 84.659 1.357 -1.720 1.00 1.94 H new ATOM 0 HE2 LYS A 6 85.854 -0.381 -2.846 1.00 2.16 H new ATOM 0 HE3 LYS A 6 85.031 -1.270 -1.579 1.00 2.16 H new ATOM 0 HZ1 LYS A 6 84.599 -2.264 -3.769 1.00 2.91 H new ATOM 0 HZ2 LYS A 6 83.157 -1.659 -3.107 1.00 2.91 H new ATOM 0 HZ3 LYS A 6 83.954 -0.798 -4.334 1.00 2.91 H new ATOM 106 N ALA A 7 81.627 -1.790 0.538 1.00 1.13 N ATOM 107 CA ALA A 7 82.036 -3.142 1.015 1.00 1.14 C ATOM 108 C ALA A 7 80.806 -3.943 1.449 1.00 1.06 C ATOM 109 O ALA A 7 80.868 -5.141 1.641 1.00 1.10 O ATOM 110 CB ALA A 7 82.953 -2.879 2.211 1.00 1.20 C ATOM 0 H ALA A 7 81.986 -1.008 1.086 1.00 1.13 H new ATOM 0 HA ALA A 7 82.535 -3.721 0.238 1.00 1.14 H new ATOM 0 HB1 ALA A 7 83.298 -3.828 2.621 1.00 1.20 H new ATOM 0 HB2 ALA A 7 83.811 -2.290 1.889 1.00 1.20 H new ATOM 0 HB3 ALA A 7 82.404 -2.331 2.977 1.00 1.20 H new ATOM 116 N ALA A 8 79.687 -3.290 1.604 1.00 0.99 N ATOM 117 CA ALA A 8 78.453 -4.013 2.026 1.00 0.95 C ATOM 118 C ALA A 8 77.850 -4.767 0.837 1.00 0.95 C ATOM 119 O ALA A 8 77.376 -5.877 0.971 1.00 1.02 O ATOM 120 CB ALA A 8 77.499 -2.919 2.507 1.00 0.91 C ATOM 0 H ALA A 8 79.573 -2.287 1.457 1.00 0.99 H new ATOM 0 HA ALA A 8 78.651 -4.751 2.803 1.00 0.95 H new ATOM 0 HB1 ALA A 8 76.563 -3.371 2.836 1.00 0.91 H new ATOM 0 HB2 ALA A 8 77.953 -2.380 3.338 1.00 0.91 H new ATOM 0 HB3 ALA A 8 77.299 -2.225 1.690 1.00 0.91 H new ATOM 126 N VAL A 9 77.864 -4.171 -0.323 1.00 0.97 N ATOM 127 CA VAL A 9 77.291 -4.855 -1.519 1.00 1.07 C ATOM 128 C VAL A 9 78.069 -6.138 -1.821 1.00 1.16 C ATOM 129 O VAL A 9 77.501 -7.204 -1.950 1.00 1.18 O ATOM 130 CB VAL A 9 77.449 -3.851 -2.661 1.00 1.21 C ATOM 131 CG1 VAL A 9 76.731 -4.375 -3.906 1.00 1.89 C ATOM 132 CG2 VAL A 9 76.836 -2.510 -2.248 1.00 1.49 C ATOM 0 H VAL A 9 78.247 -3.241 -0.496 1.00 0.97 H new ATOM 0 HA VAL A 9 76.251 -5.144 -1.370 1.00 1.07 H new ATOM 0 HB VAL A 9 78.508 -3.717 -2.882 1.00 1.21 H new ATOM 0 HG11 VAL A 9 76.844 -3.659 -4.720 1.00 1.89 H new ATOM 0 HG12 VAL A 9 77.165 -5.331 -4.201 1.00 1.89 H new ATOM 0 HG13 VAL A 9 75.672 -4.510 -3.686 1.00 1.89 H new ATOM 0 HG21 VAL A 9 76.948 -1.793 -3.061 1.00 1.49 H new ATOM 0 HG22 VAL A 9 75.777 -2.646 -2.028 1.00 1.49 H new ATOM 0 HG23 VAL A 9 77.346 -2.135 -1.361 1.00 1.49 H new ATOM 142 N GLU A 10 79.366 -6.044 -1.934 1.00 1.28 N ATOM 143 CA GLU A 10 80.178 -7.261 -2.227 1.00 1.44 C ATOM 144 C GLU A 10 79.913 -8.339 -1.173 1.00 1.41 C ATOM 145 O GLU A 10 80.155 -9.509 -1.393 1.00 1.54 O ATOM 146 CB GLU A 10 81.632 -6.793 -2.162 1.00 1.68 C ATOM 147 CG GLU A 10 81.851 -5.991 -0.877 1.00 2.16 C ATOM 148 CD GLU A 10 82.838 -6.734 0.026 1.00 2.64 C ATOM 149 OE1 GLU A 10 83.984 -6.872 -0.369 1.00 3.13 O ATOM 150 OE2 GLU A 10 82.430 -7.154 1.097 1.00 3.13 O ATOM 0 H GLU A 10 79.898 -5.179 -1.836 1.00 1.28 H new ATOM 0 HA GLU A 10 79.934 -7.697 -3.196 1.00 1.44 H new ATOM 0 HB2 GLU A 10 82.303 -7.651 -2.187 1.00 1.68 H new ATOM 0 HB3 GLU A 10 81.867 -6.179 -3.031 1.00 1.68 H new ATOM 0 HG2 GLU A 10 82.235 -4.999 -1.116 1.00 2.16 H new ATOM 0 HG3 GLU A 10 80.903 -5.849 -0.358 1.00 2.16 H new ATOM 157 N GLN A 11 79.418 -7.954 -0.029 1.00 1.37 N ATOM 158 CA GLN A 11 79.138 -8.956 1.039 1.00 1.43 C ATOM 159 C GLN A 11 77.841 -9.709 0.733 1.00 1.24 C ATOM 160 O GLN A 11 77.598 -10.783 1.248 1.00 1.31 O ATOM 161 CB GLN A 11 78.995 -8.137 2.322 1.00 1.58 C ATOM 162 CG GLN A 11 80.209 -8.379 3.220 1.00 1.88 C ATOM 163 CD GLN A 11 79.739 -8.698 4.640 1.00 2.09 C ATOM 164 OE1 GLN A 11 79.050 -9.674 4.860 1.00 2.64 O ATOM 165 NE2 GLN A 11 80.084 -7.909 5.621 1.00 2.48 N ATOM 0 H GLN A 11 79.195 -6.988 0.213 1.00 1.37 H new ATOM 0 HA GLN A 11 79.926 -9.705 1.120 1.00 1.43 H new ATOM 0 HB2 GLN A 11 78.912 -7.077 2.082 1.00 1.58 H new ATOM 0 HB3 GLN A 11 78.081 -8.418 2.845 1.00 1.58 H new ATOM 0 HG2 GLN A 11 80.805 -9.204 2.829 1.00 1.88 H new ATOM 0 HG3 GLN A 11 80.850 -7.498 3.227 1.00 1.88 H new ATOM 0 HE21 GLN A 11 80.663 -7.089 5.437 1.00 2.48 H new ATOM 0 HE22 GLN A 11 79.775 -8.112 6.572 1.00 2.48 H new ATOM 174 N LEU A 12 77.005 -9.155 -0.103 1.00 1.24 N ATOM 175 CA LEU A 12 75.724 -9.840 -0.440 1.00 1.13 C ATOM 176 C LEU A 12 75.959 -10.898 -1.522 1.00 1.02 C ATOM 177 O LEU A 12 76.941 -10.860 -2.237 1.00 1.28 O ATOM 178 CB LEU A 12 74.806 -8.734 -0.961 1.00 1.12 C ATOM 179 CG LEU A 12 74.555 -7.713 0.150 1.00 1.28 C ATOM 180 CD1 LEU A 12 73.858 -6.483 -0.435 1.00 2.02 C ATOM 181 CD2 LEU A 12 73.664 -8.338 1.225 1.00 1.49 C ATOM 0 H LEU A 12 77.153 -8.259 -0.567 1.00 1.24 H new ATOM 0 HA LEU A 12 75.293 -10.354 0.419 1.00 1.13 H new ATOM 0 HB2 LEU A 12 75.261 -8.245 -1.823 1.00 1.12 H new ATOM 0 HB3 LEU A 12 73.861 -9.160 -1.298 1.00 1.12 H new ATOM 0 HG LEU A 12 75.506 -7.417 0.592 1.00 1.28 H new ATOM 0 HD11 LEU A 12 73.679 -5.755 0.357 1.00 2.02 H new ATOM 0 HD12 LEU A 12 74.491 -6.037 -1.202 1.00 2.02 H new ATOM 0 HD13 LEU A 12 72.907 -6.780 -0.877 1.00 2.02 H new ATOM 0 HD21 LEU A 12 73.485 -7.611 2.017 1.00 1.49 H new ATOM 0 HD22 LEU A 12 72.713 -8.634 0.782 1.00 1.49 H new ATOM 0 HD23 LEU A 12 74.158 -9.215 1.643 1.00 1.49 H new ATOM 193 N THR A 13 75.066 -11.841 -1.648 1.00 0.93 N ATOM 194 CA THR A 13 75.239 -12.899 -2.684 1.00 0.93 C ATOM 195 C THR A 13 74.172 -12.751 -3.772 1.00 0.88 C ATOM 196 O THR A 13 73.073 -12.298 -3.518 1.00 0.86 O ATOM 197 CB THR A 13 75.063 -14.220 -1.934 1.00 1.03 C ATOM 198 OG1 THR A 13 73.718 -14.332 -1.487 1.00 1.13 O ATOM 199 CG2 THR A 13 76.008 -14.257 -0.732 1.00 1.20 C ATOM 0 H THR A 13 74.224 -11.925 -1.078 1.00 0.93 H new ATOM 0 HA THR A 13 76.208 -12.839 -3.180 1.00 0.93 H new ATOM 0 HB THR A 13 75.296 -15.051 -2.600 1.00 1.03 H new ATOM 0 HG1 THR A 13 73.602 -15.179 -1.007 1.00 1.13 H new ATOM 0 HG21 THR A 13 75.881 -15.199 -0.198 1.00 1.20 H new ATOM 0 HG22 THR A 13 77.039 -14.171 -1.077 1.00 1.20 H new ATOM 0 HG23 THR A 13 75.779 -13.428 -0.063 1.00 1.20 H new ATOM 207 N GLU A 14 74.485 -13.128 -4.981 1.00 0.88 N ATOM 208 CA GLU A 14 73.486 -13.007 -6.081 1.00 0.87 C ATOM 209 C GLU A 14 72.119 -13.508 -5.608 1.00 0.82 C ATOM 210 O GLU A 14 71.144 -12.783 -5.620 1.00 0.79 O ATOM 211 CB GLU A 14 74.024 -13.894 -7.204 1.00 0.99 C ATOM 212 CG GLU A 14 75.245 -13.227 -7.840 1.00 1.98 C ATOM 213 CD GLU A 14 75.919 -14.206 -8.801 1.00 2.36 C ATOM 214 OE1 GLU A 14 76.248 -15.298 -8.369 1.00 3.17 O ATOM 215 OE2 GLU A 14 76.095 -13.849 -9.955 1.00 2.36 O ATOM 0 H GLU A 14 75.388 -13.514 -5.255 1.00 0.88 H new ATOM 0 HA GLU A 14 73.351 -11.976 -6.407 1.00 0.87 H new ATOM 0 HB2 GLU A 14 74.295 -14.873 -6.810 1.00 0.99 H new ATOM 0 HB3 GLU A 14 73.252 -14.056 -7.956 1.00 0.99 H new ATOM 0 HG2 GLU A 14 74.943 -12.326 -8.374 1.00 1.98 H new ATOM 0 HG3 GLU A 14 75.948 -12.918 -7.066 1.00 1.98 H new ATOM 222 N GLU A 15 72.039 -14.741 -5.189 1.00 0.85 N ATOM 223 CA GLU A 15 70.734 -15.283 -4.713 1.00 0.84 C ATOM 224 C GLU A 15 70.072 -14.288 -3.756 1.00 0.76 C ATOM 225 O GLU A 15 68.879 -14.064 -3.806 1.00 0.70 O ATOM 226 CB GLU A 15 71.085 -16.580 -3.983 1.00 0.92 C ATOM 227 CG GLU A 15 71.249 -17.709 -5.002 1.00 1.49 C ATOM 228 CD GLU A 15 72.657 -17.657 -5.600 1.00 1.88 C ATOM 229 OE1 GLU A 15 73.586 -17.397 -4.855 1.00 2.07 O ATOM 230 OE2 GLU A 15 72.779 -17.876 -6.794 1.00 2.62 O ATOM 0 H GLU A 15 72.820 -15.396 -5.155 1.00 0.85 H new ATOM 0 HA GLU A 15 70.033 -15.455 -5.530 1.00 0.84 H new ATOM 0 HB2 GLU A 15 72.006 -16.452 -3.414 1.00 0.92 H new ATOM 0 HB3 GLU A 15 70.301 -16.831 -3.268 1.00 0.92 H new ATOM 0 HG2 GLU A 15 71.082 -18.673 -4.522 1.00 1.49 H new ATOM 0 HG3 GLU A 15 70.503 -17.612 -5.791 1.00 1.49 H new ATOM 237 N GLN A 16 70.838 -13.687 -2.887 1.00 0.79 N ATOM 238 CA GLN A 16 70.254 -12.704 -1.932 1.00 0.74 C ATOM 239 C GLN A 16 69.914 -11.404 -2.663 1.00 0.68 C ATOM 240 O GLN A 16 68.823 -10.881 -2.549 1.00 0.67 O ATOM 241 CB GLN A 16 71.347 -12.464 -0.890 1.00 0.79 C ATOM 242 CG GLN A 16 71.229 -13.505 0.224 1.00 0.88 C ATOM 243 CD GLN A 16 71.636 -12.876 1.557 1.00 1.70 C ATOM 244 OE1 GLN A 16 70.794 -12.560 2.376 1.00 2.53 O ATOM 245 NE2 GLN A 16 72.900 -12.676 1.813 1.00 2.20 N ATOM 0 H GLN A 16 71.843 -13.835 -2.797 1.00 0.79 H new ATOM 0 HA GLN A 16 69.332 -13.066 -1.476 1.00 0.74 H new ATOM 0 HB2 GLN A 16 72.330 -12.526 -1.358 1.00 0.79 H new ATOM 0 HB3 GLN A 16 71.254 -11.460 -0.475 1.00 0.79 H new ATOM 0 HG2 GLN A 16 70.206 -13.876 0.282 1.00 0.88 H new ATOM 0 HG3 GLN A 16 71.866 -14.362 0.005 1.00 0.88 H new ATOM 0 HE21 GLN A 16 73.607 -12.940 1.127 1.00 2.20 H new ATOM 0 HE22 GLN A 16 73.181 -12.255 2.699 1.00 2.20 H new ATOM 254 N LYS A 17 70.840 -10.878 -3.418 1.00 0.69 N ATOM 255 CA LYS A 17 70.569 -9.614 -4.160 1.00 0.68 C ATOM 256 C LYS A 17 69.255 -9.733 -4.935 1.00 0.62 C ATOM 257 O LYS A 17 68.422 -8.850 -4.906 1.00 0.57 O ATOM 258 CB LYS A 17 71.748 -9.459 -5.121 1.00 0.79 C ATOM 259 CG LYS A 17 72.183 -7.993 -5.164 1.00 1.01 C ATOM 260 CD LYS A 17 73.480 -7.820 -4.371 1.00 1.53 C ATOM 261 CE LYS A 17 74.626 -8.521 -5.105 1.00 1.70 C ATOM 262 NZ LYS A 17 74.508 -8.069 -6.519 1.00 2.33 N ATOM 0 H LYS A 17 71.772 -11.269 -3.553 1.00 0.69 H new ATOM 0 HA LYS A 17 70.471 -8.755 -3.496 1.00 0.68 H new ATOM 0 HB2 LYS A 17 72.579 -10.086 -4.798 1.00 0.79 H new ATOM 0 HB3 LYS A 17 71.464 -9.794 -6.119 1.00 0.79 H new ATOM 0 HG2 LYS A 17 72.331 -7.677 -6.197 1.00 1.01 H new ATOM 0 HG3 LYS A 17 71.402 -7.359 -4.746 1.00 1.01 H new ATOM 0 HD2 LYS A 17 73.706 -6.761 -4.250 1.00 1.53 H new ATOM 0 HD3 LYS A 17 73.365 -8.238 -3.371 1.00 1.53 H new ATOM 0 HE2 LYS A 17 75.592 -8.247 -4.682 1.00 1.70 H new ATOM 0 HE3 LYS A 17 74.540 -9.605 -5.028 1.00 1.70 H new ATOM 0 HZ1 LYS A 17 75.443 -8.103 -6.974 1.00 2.33 H new ATOM 0 HZ2 LYS A 17 73.852 -8.694 -7.030 1.00 2.33 H new ATOM 0 HZ3 LYS A 17 74.147 -7.094 -6.543 1.00 2.33 H new ATOM 276 N ASN A 18 69.063 -10.823 -5.628 1.00 0.65 N ATOM 277 CA ASN A 18 67.801 -11.001 -6.403 1.00 0.64 C ATOM 278 C ASN A 18 66.591 -10.697 -5.517 1.00 0.58 C ATOM 279 O ASN A 18 65.655 -10.044 -5.932 1.00 0.56 O ATOM 280 CB ASN A 18 67.803 -12.470 -6.828 1.00 0.73 C ATOM 281 CG ASN A 18 68.420 -12.599 -8.222 1.00 0.91 C ATOM 282 OD1 ASN A 18 68.022 -11.911 -9.141 1.00 1.55 O ATOM 283 ND2 ASN A 18 69.382 -13.458 -8.420 1.00 1.35 N ATOM 0 H ASN A 18 69.724 -11.597 -5.691 1.00 0.65 H new ATOM 0 HA ASN A 18 67.742 -10.330 -7.260 1.00 0.64 H new ATOM 0 HB2 ASN A 18 68.369 -13.066 -6.112 1.00 0.73 H new ATOM 0 HB3 ASN A 18 66.785 -12.859 -6.832 1.00 0.73 H new ATOM 0 HD21 ASN A 18 69.800 -13.552 -9.346 1.00 1.35 H new ATOM 0 HD22 ASN A 18 69.717 -14.036 -7.649 1.00 1.35 H new ATOM 290 N GLU A 19 66.603 -11.165 -4.299 1.00 0.62 N ATOM 291 CA GLU A 19 65.452 -10.899 -3.389 1.00 0.64 C ATOM 292 C GLU A 19 65.181 -9.393 -3.311 1.00 0.58 C ATOM 293 O GLU A 19 64.048 -8.958 -3.294 1.00 0.61 O ATOM 294 CB GLU A 19 65.889 -11.437 -2.026 1.00 0.75 C ATOM 295 CG GLU A 19 65.026 -12.644 -1.653 1.00 1.47 C ATOM 296 CD GLU A 19 65.925 -13.794 -1.196 1.00 2.01 C ATOM 297 OE1 GLU A 19 67.060 -13.525 -0.839 1.00 2.64 O ATOM 298 OE2 GLU A 19 65.463 -14.922 -1.212 1.00 2.50 O ATOM 0 H GLU A 19 67.358 -11.719 -3.895 1.00 0.62 H new ATOM 0 HA GLU A 19 64.533 -11.371 -3.735 1.00 0.64 H new ATOM 0 HB2 GLU A 19 66.940 -11.724 -2.056 1.00 0.75 H new ATOM 0 HB3 GLU A 19 65.792 -10.659 -1.268 1.00 0.75 H new ATOM 0 HG2 GLU A 19 64.330 -12.375 -0.858 1.00 1.47 H new ATOM 0 HG3 GLU A 19 64.427 -12.955 -2.509 1.00 1.47 H new ATOM 305 N PHE A 20 66.214 -8.597 -3.267 1.00 0.58 N ATOM 306 CA PHE A 20 66.015 -7.121 -3.195 1.00 0.59 C ATOM 307 C PHE A 20 65.529 -6.592 -4.546 1.00 0.53 C ATOM 308 O PHE A 20 64.663 -5.742 -4.615 1.00 0.54 O ATOM 309 CB PHE A 20 67.391 -6.551 -2.851 1.00 0.67 C ATOM 310 CG PHE A 20 67.670 -6.778 -1.386 1.00 1.04 C ATOM 311 CD1 PHE A 20 66.680 -6.505 -0.436 1.00 1.85 C ATOM 312 CD2 PHE A 20 68.916 -7.269 -0.978 1.00 1.87 C ATOM 313 CE1 PHE A 20 66.935 -6.720 0.923 1.00 2.52 C ATOM 314 CE2 PHE A 20 69.171 -7.485 0.382 1.00 2.57 C ATOM 315 CZ PHE A 20 68.180 -7.211 1.332 1.00 2.67 C ATOM 0 H PHE A 20 67.187 -8.904 -3.278 1.00 0.58 H new ATOM 0 HA PHE A 20 65.266 -6.837 -2.456 1.00 0.59 H new ATOM 0 HB2 PHE A 20 68.159 -7.031 -3.458 1.00 0.67 H new ATOM 0 HB3 PHE A 20 67.424 -5.486 -3.079 1.00 0.67 H new ATOM 0 HD1 PHE A 20 65.718 -6.128 -0.752 1.00 1.85 H new ATOM 0 HD2 PHE A 20 69.680 -7.481 -1.711 1.00 1.87 H new ATOM 0 HE1 PHE A 20 66.171 -6.507 1.656 1.00 2.52 H new ATOM 0 HE2 PHE A 20 70.132 -7.863 0.698 1.00 2.57 H new ATOM 0 HZ PHE A 20 68.376 -7.379 2.381 1.00 2.67 H new ATOM 325 N LYS A 21 66.074 -7.091 -5.621 1.00 0.53 N ATOM 326 CA LYS A 21 65.634 -6.619 -6.964 1.00 0.53 C ATOM 327 C LYS A 21 64.118 -6.782 -7.098 1.00 0.50 C ATOM 328 O LYS A 21 63.439 -5.945 -7.659 1.00 0.63 O ATOM 329 CB LYS A 21 66.365 -7.518 -7.962 1.00 0.61 C ATOM 330 CG LYS A 21 66.560 -6.764 -9.278 1.00 0.68 C ATOM 331 CD LYS A 21 67.498 -7.560 -10.188 1.00 1.26 C ATOM 332 CE LYS A 21 67.421 -7.004 -11.613 1.00 1.85 C ATOM 333 NZ LYS A 21 67.938 -5.609 -11.512 1.00 1.94 N ATOM 0 H LYS A 21 66.804 -7.804 -5.628 1.00 0.53 H new ATOM 0 HA LYS A 21 65.860 -5.566 -7.132 1.00 0.53 H new ATOM 0 HB2 LYS A 21 67.331 -7.820 -7.557 1.00 0.61 H new ATOM 0 HB3 LYS A 21 65.793 -8.430 -8.134 1.00 0.61 H new ATOM 0 HG2 LYS A 21 65.599 -6.615 -9.770 1.00 0.68 H new ATOM 0 HG3 LYS A 21 66.976 -5.775 -9.085 1.00 0.68 H new ATOM 0 HD2 LYS A 21 68.521 -7.498 -9.817 1.00 1.26 H new ATOM 0 HD3 LYS A 21 67.220 -8.614 -10.182 1.00 1.26 H new ATOM 0 HE2 LYS A 21 68.022 -7.598 -12.301 1.00 1.85 H new ATOM 0 HE3 LYS A 21 66.398 -7.019 -11.988 1.00 1.85 H new ATOM 0 HZ1 LYS A 21 68.251 -5.286 -12.450 1.00 1.94 H new ATOM 0 HZ2 LYS A 21 67.183 -4.983 -11.165 1.00 1.94 H new ATOM 0 HZ3 LYS A 21 68.741 -5.583 -10.851 1.00 1.94 H new ATOM 347 N ALA A 22 63.582 -7.854 -6.580 1.00 0.51 N ATOM 348 CA ALA A 22 62.110 -8.070 -6.669 1.00 0.60 C ATOM 349 C ALA A 22 61.393 -7.211 -5.624 1.00 0.51 C ATOM 350 O ALA A 22 60.181 -7.125 -5.601 1.00 0.50 O ATOM 351 CB ALA A 22 61.908 -9.557 -6.373 1.00 0.76 C ATOM 0 H ALA A 22 64.100 -8.589 -6.099 1.00 0.51 H new ATOM 0 HA ALA A 22 61.707 -7.793 -7.643 1.00 0.60 H new ATOM 0 HB1 ALA A 22 60.846 -9.796 -6.420 1.00 0.76 H new ATOM 0 HB2 ALA A 22 62.446 -10.151 -7.111 1.00 0.76 H new ATOM 0 HB3 ALA A 22 62.288 -9.785 -5.377 1.00 0.76 H new ATOM 357 N ALA A 23 62.135 -6.572 -4.759 1.00 0.51 N ATOM 358 CA ALA A 23 61.499 -5.717 -3.715 1.00 0.47 C ATOM 359 C ALA A 23 61.811 -4.241 -3.978 1.00 0.43 C ATOM 360 O ALA A 23 61.320 -3.362 -3.299 1.00 0.46 O ATOM 361 CB ALA A 23 62.126 -6.168 -2.396 1.00 0.58 C ATOM 0 H ALA A 23 63.154 -6.605 -4.730 1.00 0.51 H new ATOM 0 HA ALA A 23 60.414 -5.817 -3.706 1.00 0.47 H new ATOM 0 HB1 ALA A 23 61.708 -5.584 -1.576 1.00 0.58 H new ATOM 0 HB2 ALA A 23 61.913 -7.225 -2.234 1.00 0.58 H new ATOM 0 HB3 ALA A 23 63.205 -6.018 -2.436 1.00 0.58 H new ATOM 367 N PHE A 24 62.627 -3.963 -4.959 1.00 0.54 N ATOM 368 CA PHE A 24 62.972 -2.543 -5.260 1.00 0.56 C ATOM 369 C PHE A 24 62.388 -2.128 -6.614 1.00 0.56 C ATOM 370 O PHE A 24 61.869 -1.041 -6.770 1.00 0.60 O ATOM 371 CB PHE A 24 64.501 -2.509 -5.303 1.00 0.66 C ATOM 372 CG PHE A 24 64.962 -1.150 -5.771 1.00 0.60 C ATOM 373 CD1 PHE A 24 64.870 -0.809 -7.125 1.00 1.45 C ATOM 374 CD2 PHE A 24 65.484 -0.233 -4.850 1.00 1.24 C ATOM 375 CE1 PHE A 24 65.299 0.451 -7.559 1.00 1.61 C ATOM 376 CE2 PHE A 24 65.913 1.027 -5.285 1.00 1.24 C ATOM 377 CZ PHE A 24 65.821 1.369 -6.639 1.00 0.94 C ATOM 0 H PHE A 24 63.069 -4.656 -5.564 1.00 0.54 H new ATOM 0 HA PHE A 24 62.568 -1.855 -4.518 1.00 0.56 H new ATOM 0 HB2 PHE A 24 64.908 -2.722 -4.315 1.00 0.66 H new ATOM 0 HB3 PHE A 24 64.874 -3.282 -5.975 1.00 0.66 H new ATOM 0 HD1 PHE A 24 64.468 -1.517 -7.835 1.00 1.45 H new ATOM 0 HD2 PHE A 24 65.556 -0.497 -3.805 1.00 1.24 H new ATOM 0 HE1 PHE A 24 65.227 0.715 -8.604 1.00 1.61 H new ATOM 0 HE2 PHE A 24 66.315 1.735 -4.575 1.00 1.24 H new ATOM 0 HZ PHE A 24 66.152 2.341 -6.974 1.00 0.94 H new ATOM 387 N ASP A 25 62.470 -2.985 -7.596 1.00 0.58 N ATOM 388 CA ASP A 25 61.921 -2.636 -8.938 1.00 0.64 C ATOM 389 C ASP A 25 60.401 -2.465 -8.865 1.00 0.66 C ATOM 390 O ASP A 25 59.771 -2.025 -9.807 1.00 0.76 O ATOM 391 CB ASP A 25 62.284 -3.821 -9.835 1.00 0.68 C ATOM 392 CG ASP A 25 62.976 -3.310 -11.100 1.00 1.05 C ATOM 393 OD1 ASP A 25 63.009 -2.105 -11.288 1.00 1.58 O ATOM 394 OD2 ASP A 25 63.462 -4.133 -11.859 1.00 1.78 O ATOM 0 H ASP A 25 62.893 -3.911 -7.527 1.00 0.58 H new ATOM 0 HA ASP A 25 62.326 -1.697 -9.316 1.00 0.64 H new ATOM 0 HB2 ASP A 25 62.941 -4.508 -9.301 1.00 0.68 H new ATOM 0 HB3 ASP A 25 61.386 -4.379 -10.099 1.00 0.68 H new ATOM 399 N ILE A 26 59.806 -2.811 -7.757 1.00 0.61 N ATOM 400 CA ILE A 26 58.326 -2.669 -7.630 1.00 0.67 C ATOM 401 C ILE A 26 57.957 -1.236 -7.229 1.00 0.73 C ATOM 402 O ILE A 26 56.850 -0.968 -6.807 1.00 0.99 O ATOM 403 CB ILE A 26 57.931 -3.656 -6.535 1.00 0.70 C ATOM 404 CG1 ILE A 26 58.370 -5.064 -6.951 1.00 0.66 C ATOM 405 CG2 ILE A 26 56.410 -3.622 -6.340 1.00 0.83 C ATOM 406 CD1 ILE A 26 57.682 -6.102 -6.067 1.00 0.84 C ATOM 0 H ILE A 26 60.279 -3.186 -6.934 1.00 0.61 H new ATOM 0 HA ILE A 26 57.809 -2.871 -8.568 1.00 0.67 H new ATOM 0 HB ILE A 26 58.416 -3.384 -5.598 1.00 0.70 H new ATOM 0 HG12 ILE A 26 58.118 -5.239 -7.997 1.00 0.66 H new ATOM 0 HG13 ILE A 26 59.452 -5.158 -6.864 1.00 0.66 H new ATOM 0 HG21 ILE A 26 56.128 -4.327 -5.558 1.00 0.83 H new ATOM 0 HG22 ILE A 26 56.103 -2.617 -6.051 1.00 0.83 H new ATOM 0 HG23 ILE A 26 55.917 -3.898 -7.272 1.00 0.83 H new ATOM 0 HD11 ILE A 26 57.997 -7.101 -6.367 1.00 0.84 H new ATOM 0 HD12 ILE A 26 57.956 -5.932 -5.026 1.00 0.84 H new ATOM 0 HD13 ILE A 26 56.601 -6.014 -6.177 1.00 0.84 H new ATOM 418 N PHE A 27 58.871 -0.314 -7.356 1.00 0.57 N ATOM 419 CA PHE A 27 58.558 1.095 -6.978 1.00 0.63 C ATOM 420 C PHE A 27 59.375 2.073 -7.825 1.00 0.59 C ATOM 421 O PHE A 27 59.712 3.156 -7.389 1.00 0.67 O ATOM 422 CB PHE A 27 58.946 1.203 -5.503 1.00 0.70 C ATOM 423 CG PHE A 27 57.950 0.433 -4.669 1.00 0.67 C ATOM 424 CD1 PHE A 27 56.744 1.034 -4.288 1.00 1.44 C ATOM 425 CD2 PHE A 27 58.231 -0.882 -4.279 1.00 1.17 C ATOM 426 CE1 PHE A 27 55.819 0.318 -3.518 1.00 1.65 C ATOM 427 CE2 PHE A 27 57.305 -1.597 -3.508 1.00 1.20 C ATOM 428 CZ PHE A 27 56.100 -0.996 -3.128 1.00 1.09 C ATOM 0 H PHE A 27 59.817 -0.473 -7.703 1.00 0.57 H new ATOM 0 HA PHE A 27 57.509 1.342 -7.144 1.00 0.63 H new ATOM 0 HB2 PHE A 27 59.950 0.807 -5.349 1.00 0.70 H new ATOM 0 HB3 PHE A 27 58.965 2.248 -5.195 1.00 0.70 H new ATOM 0 HD1 PHE A 27 56.527 2.049 -4.588 1.00 1.44 H new ATOM 0 HD2 PHE A 27 59.161 -1.345 -4.572 1.00 1.17 H new ATOM 0 HE1 PHE A 27 54.888 0.780 -3.225 1.00 1.65 H new ATOM 0 HE2 PHE A 27 57.521 -2.611 -3.207 1.00 1.20 H new ATOM 0 HZ PHE A 27 55.386 -1.547 -2.533 1.00 1.09 H new ATOM 438 N VAL A 28 59.689 1.706 -9.038 1.00 0.58 N ATOM 439 CA VAL A 28 60.477 2.622 -9.913 1.00 0.59 C ATOM 440 C VAL A 28 59.527 3.465 -10.768 1.00 0.64 C ATOM 441 O VAL A 28 59.889 3.956 -11.819 1.00 0.73 O ATOM 442 CB VAL A 28 61.323 1.703 -10.795 1.00 0.60 C ATOM 443 CG1 VAL A 28 62.120 2.545 -11.792 1.00 1.41 C ATOM 444 CG2 VAL A 28 62.289 0.903 -9.918 1.00 1.37 C ATOM 0 H VAL A 28 59.435 0.813 -9.461 1.00 0.58 H new ATOM 0 HA VAL A 28 61.097 3.313 -9.342 1.00 0.59 H new ATOM 0 HB VAL A 28 60.671 1.018 -11.337 1.00 0.60 H new ATOM 0 HG11 VAL A 28 62.723 1.890 -12.421 1.00 1.41 H new ATOM 0 HG12 VAL A 28 61.433 3.116 -12.417 1.00 1.41 H new ATOM 0 HG13 VAL A 28 62.773 3.230 -11.250 1.00 1.41 H new ATOM 0 HG21 VAL A 28 62.893 0.248 -10.546 1.00 1.37 H new ATOM 0 HG22 VAL A 28 62.941 1.588 -9.376 1.00 1.37 H new ATOM 0 HG23 VAL A 28 61.722 0.303 -9.206 1.00 1.37 H new ATOM 454 N LEU A 29 58.311 3.632 -10.323 1.00 0.75 N ATOM 455 CA LEU A 29 57.329 4.438 -11.103 1.00 0.91 C ATOM 456 C LEU A 29 57.851 5.863 -11.308 1.00 1.10 C ATOM 457 O LEU A 29 57.732 6.709 -10.444 1.00 1.54 O ATOM 458 CB LEU A 29 56.064 4.450 -10.245 1.00 1.17 C ATOM 459 CG LEU A 29 56.398 4.990 -8.853 1.00 1.49 C ATOM 460 CD1 LEU A 29 55.562 6.240 -8.576 1.00 2.09 C ATOM 461 CD2 LEU A 29 56.081 3.924 -7.802 1.00 1.73 C ATOM 0 H LEU A 29 57.954 3.244 -9.450 1.00 0.75 H new ATOM 0 HA LEU A 29 57.150 4.023 -12.095 1.00 0.91 H new ATOM 0 HB2 LEU A 29 55.300 5.070 -10.714 1.00 1.17 H new ATOM 0 HB3 LEU A 29 55.654 3.443 -10.168 1.00 1.17 H new ATOM 0 HG LEU A 29 57.457 5.243 -8.807 1.00 1.49 H new ATOM 0 HD11 LEU A 29 55.800 6.625 -7.584 1.00 2.09 H new ATOM 0 HD12 LEU A 29 55.786 7.001 -9.324 1.00 2.09 H new ATOM 0 HD13 LEU A 29 54.503 5.987 -8.622 1.00 2.09 H new ATOM 0 HD21 LEU A 29 56.319 4.309 -6.810 1.00 1.73 H new ATOM 0 HD22 LEU A 29 55.022 3.671 -7.848 1.00 1.73 H new ATOM 0 HD23 LEU A 29 56.676 3.032 -7.998 1.00 1.73 H new ATOM 473 N GLY A 30 58.425 6.136 -12.448 1.00 1.47 N ATOM 474 CA GLY A 30 58.949 7.507 -12.710 1.00 1.89 C ATOM 475 C GLY A 30 60.317 7.669 -12.046 1.00 1.94 C ATOM 476 O GLY A 30 60.421 7.802 -10.842 1.00 2.46 O ATOM 0 H GLY A 30 58.554 5.469 -13.209 1.00 1.47 H new ATOM 0 HA2 GLY A 30 59.032 7.676 -13.784 1.00 1.89 H new ATOM 0 HA3 GLY A 30 58.255 8.253 -12.323 1.00 1.89 H new ATOM 480 N ALA A 31 61.367 7.661 -12.820 1.00 1.89 N ATOM 481 CA ALA A 31 62.729 7.817 -12.232 1.00 2.14 C ATOM 482 C ALA A 31 63.778 7.894 -13.346 1.00 2.28 C ATOM 483 O ALA A 31 63.462 8.133 -14.495 1.00 2.46 O ATOM 484 CB ALA A 31 62.938 6.564 -11.383 1.00 1.97 C ATOM 0 H ALA A 31 61.342 7.553 -13.834 1.00 1.89 H new ATOM 0 HA ALA A 31 62.824 8.729 -11.642 1.00 2.14 H new ATOM 0 HB1 ALA A 31 63.921 6.602 -10.914 1.00 1.97 H new ATOM 0 HB2 ALA A 31 62.170 6.515 -10.611 1.00 1.97 H new ATOM 0 HB3 ALA A 31 62.872 5.680 -12.017 1.00 1.97 H new ATOM 490 N GLU A 32 65.025 7.696 -13.015 1.00 2.73 N ATOM 491 CA GLU A 32 66.092 7.759 -14.056 1.00 2.98 C ATOM 492 C GLU A 32 66.582 6.349 -14.398 1.00 2.33 C ATOM 493 O GLU A 32 66.668 5.976 -15.552 1.00 2.34 O ATOM 494 CB GLU A 32 67.217 8.578 -13.423 1.00 3.71 C ATOM 495 CG GLU A 32 68.475 8.472 -14.289 1.00 4.48 C ATOM 496 CD GLU A 32 69.584 9.335 -13.687 1.00 5.14 C ATOM 497 OE1 GLU A 32 69.360 9.900 -12.629 1.00 5.71 O ATOM 498 OE2 GLU A 32 70.640 9.416 -14.293 1.00 5.38 O ATOM 0 H GLU A 32 65.351 7.494 -12.070 1.00 2.73 H new ATOM 0 HA GLU A 32 65.736 8.205 -14.984 1.00 2.98 H new ATOM 0 HB2 GLU A 32 66.914 9.621 -13.329 1.00 3.71 H new ATOM 0 HB3 GLU A 32 67.424 8.215 -12.416 1.00 3.71 H new ATOM 0 HG2 GLU A 32 68.801 7.434 -14.350 1.00 4.48 H new ATOM 0 HG3 GLU A 32 68.258 8.798 -15.306 1.00 4.48 H new ATOM 505 N ASP A 33 66.906 5.565 -13.407 1.00 2.13 N ATOM 506 CA ASP A 33 67.392 4.181 -13.684 1.00 2.25 C ATOM 507 C ASP A 33 67.167 3.281 -12.465 1.00 1.67 C ATOM 508 O ASP A 33 68.036 3.118 -11.633 1.00 2.00 O ATOM 509 CB ASP A 33 68.886 4.334 -13.966 1.00 3.20 C ATOM 510 CG ASP A 33 69.513 2.951 -14.146 1.00 3.87 C ATOM 511 OD1 ASP A 33 69.548 2.207 -13.180 1.00 4.49 O ATOM 512 OD2 ASP A 33 69.947 2.658 -15.248 1.00 4.16 O ATOM 0 H ASP A 33 66.856 5.820 -12.421 1.00 2.13 H new ATOM 0 HA ASP A 33 66.863 3.721 -14.518 1.00 2.25 H new ATOM 0 HB2 ASP A 33 69.038 4.934 -14.863 1.00 3.20 H new ATOM 0 HB3 ASP A 33 69.370 4.861 -13.144 1.00 3.20 H new ATOM 517 N GLY A 34 66.007 2.693 -12.358 1.00 1.10 N ATOM 518 CA GLY A 34 65.729 1.799 -11.197 1.00 1.18 C ATOM 519 C GLY A 34 65.865 2.586 -9.893 1.00 0.92 C ATOM 520 O GLY A 34 66.626 2.226 -9.018 1.00 1.03 O ATOM 0 H GLY A 34 65.240 2.792 -13.023 1.00 1.10 H new ATOM 0 HA2 GLY A 34 64.725 1.383 -11.279 1.00 1.18 H new ATOM 0 HA3 GLY A 34 66.423 0.958 -11.199 1.00 1.18 H new ATOM 524 N CYS A 35 65.131 3.656 -9.754 1.00 0.78 N ATOM 525 CA CYS A 35 65.217 4.460 -8.501 1.00 0.68 C ATOM 526 C CYS A 35 63.826 4.609 -7.879 1.00 0.69 C ATOM 527 O CYS A 35 62.841 4.775 -8.572 1.00 0.89 O ATOM 528 CB CYS A 35 65.763 5.821 -8.934 1.00 0.78 C ATOM 529 SG CYS A 35 67.278 5.582 -9.896 1.00 1.27 S ATOM 0 H CYS A 35 64.476 4.008 -10.452 1.00 0.78 H new ATOM 0 HA CYS A 35 65.854 3.991 -7.751 1.00 0.68 H new ATOM 0 HB2 CYS A 35 65.020 6.350 -9.530 1.00 0.78 H new ATOM 0 HB3 CYS A 35 65.968 6.438 -8.059 1.00 0.78 H new ATOM 0 HG CYS A 35 67.744 6.738 -10.266 1.00 1.27 H new ATOM 535 N ILE A 36 63.734 4.546 -6.578 1.00 0.57 N ATOM 536 CA ILE A 36 62.403 4.678 -5.921 1.00 0.57 C ATOM 537 C ILE A 36 62.350 5.951 -5.072 1.00 0.50 C ATOM 538 O ILE A 36 63.365 6.535 -4.747 1.00 0.60 O ATOM 539 CB ILE A 36 62.272 3.436 -5.039 1.00 0.63 C ATOM 540 CG1 ILE A 36 63.352 3.466 -3.954 1.00 0.60 C ATOM 541 CG2 ILE A 36 62.445 2.182 -5.895 1.00 0.72 C ATOM 542 CD1 ILE A 36 63.207 2.236 -3.055 1.00 0.75 C ATOM 0 H ILE A 36 64.521 4.409 -5.944 1.00 0.57 H new ATOM 0 HA ILE A 36 61.592 4.751 -6.646 1.00 0.57 H new ATOM 0 HB ILE A 36 61.287 3.424 -4.572 1.00 0.63 H new ATOM 0 HG12 ILE A 36 64.341 3.481 -4.411 1.00 0.60 H new ATOM 0 HG13 ILE A 36 63.261 4.376 -3.361 1.00 0.60 H new ATOM 0 HG21 ILE A 36 62.352 1.297 -5.266 1.00 0.72 H new ATOM 0 HG22 ILE A 36 61.677 2.161 -6.668 1.00 0.72 H new ATOM 0 HG23 ILE A 36 63.430 2.193 -6.362 1.00 0.72 H new ATOM 0 HD11 ILE A 36 63.976 2.257 -2.283 1.00 0.75 H new ATOM 0 HD12 ILE A 36 62.222 2.241 -2.587 1.00 0.75 H new ATOM 0 HD13 ILE A 36 63.319 1.332 -3.654 1.00 0.75 H new ATOM 554 N SER A 37 61.173 6.384 -4.710 1.00 0.54 N ATOM 555 CA SER A 37 61.050 7.619 -3.884 1.00 0.50 C ATOM 556 C SER A 37 61.469 7.332 -2.440 1.00 0.48 C ATOM 557 O SER A 37 60.956 6.438 -1.800 1.00 0.60 O ATOM 558 CB SER A 37 59.569 7.990 -3.948 1.00 0.55 C ATOM 559 OG SER A 37 59.321 9.085 -3.078 1.00 1.02 O ATOM 0 H SER A 37 60.290 5.935 -4.951 1.00 0.54 H new ATOM 0 HA SER A 37 61.689 8.425 -4.246 1.00 0.50 H new ATOM 0 HB2 SER A 37 59.292 8.252 -4.969 1.00 0.55 H new ATOM 0 HB3 SER A 37 58.956 7.136 -3.660 1.00 0.55 H new ATOM 0 HG SER A 37 58.372 9.326 -3.118 1.00 1.02 H new ATOM 565 N THR A 38 62.399 8.086 -1.921 1.00 0.48 N ATOM 566 CA THR A 38 62.848 7.854 -0.518 1.00 0.53 C ATOM 567 C THR A 38 61.639 7.710 0.412 1.00 0.53 C ATOM 568 O THR A 38 61.729 7.134 1.478 1.00 0.59 O ATOM 569 CB THR A 38 63.663 9.096 -0.151 1.00 0.64 C ATOM 570 OG1 THR A 38 63.082 10.239 -0.764 1.00 0.62 O ATOM 571 CG2 THR A 38 65.103 8.927 -0.641 1.00 0.85 C ATOM 0 H THR A 38 62.867 8.851 -2.406 1.00 0.48 H new ATOM 0 HA THR A 38 63.432 6.939 -0.420 1.00 0.53 H new ATOM 0 HB THR A 38 63.664 9.225 0.931 1.00 0.64 H new ATOM 0 HG1 THR A 38 63.248 11.028 -0.208 1.00 0.62 H new ATOM 0 HG21 THR A 38 65.683 9.812 -0.379 1.00 0.85 H new ATOM 0 HG22 THR A 38 65.547 8.050 -0.170 1.00 0.85 H new ATOM 0 HG23 THR A 38 65.106 8.798 -1.723 1.00 0.85 H new ATOM 579 N LYS A 39 60.508 8.231 0.019 1.00 0.60 N ATOM 580 CA LYS A 39 59.298 8.127 0.886 1.00 0.73 C ATOM 581 C LYS A 39 58.595 6.781 0.672 1.00 0.66 C ATOM 582 O LYS A 39 57.754 6.383 1.453 1.00 0.87 O ATOM 583 CB LYS A 39 58.395 9.279 0.446 1.00 0.90 C ATOM 584 CG LYS A 39 59.017 10.608 0.876 1.00 1.78 C ATOM 585 CD LYS A 39 58.206 11.766 0.293 1.00 2.12 C ATOM 586 CE LYS A 39 59.114 12.984 0.105 1.00 2.70 C ATOM 587 NZ LYS A 39 58.519 14.043 0.968 1.00 2.96 N ATOM 0 H LYS A 39 60.369 8.723 -0.863 1.00 0.60 H new ATOM 0 HA LYS A 39 59.548 8.184 1.945 1.00 0.73 H new ATOM 0 HB2 LYS A 39 58.264 9.260 -0.636 1.00 0.90 H new ATOM 0 HB3 LYS A 39 57.405 9.169 0.889 1.00 0.90 H new ATOM 0 HG2 LYS A 39 59.038 10.676 1.964 1.00 1.78 H new ATOM 0 HG3 LYS A 39 60.050 10.665 0.533 1.00 1.78 H new ATOM 0 HD2 LYS A 39 57.770 11.474 -0.662 1.00 2.12 H new ATOM 0 HD3 LYS A 39 57.379 12.015 0.958 1.00 2.12 H new ATOM 0 HE2 LYS A 39 60.139 12.762 0.402 1.00 2.70 H new ATOM 0 HE3 LYS A 39 59.145 13.296 -0.939 1.00 2.70 H new ATOM 0 HZ1 LYS A 39 59.086 14.911 0.893 1.00 2.96 H new ATOM 0 HZ2 LYS A 39 57.546 14.238 0.657 1.00 2.96 H new ATOM 0 HZ3 LYS A 39 58.509 13.720 1.957 1.00 2.96 H new ATOM 601 N GLU A 40 58.928 6.078 -0.377 1.00 0.52 N ATOM 602 CA GLU A 40 58.266 4.764 -0.627 1.00 0.56 C ATOM 603 C GLU A 40 59.130 3.616 -0.089 1.00 0.52 C ATOM 604 O GLU A 40 58.629 2.585 0.313 1.00 0.59 O ATOM 605 CB GLU A 40 58.116 4.673 -2.151 1.00 0.71 C ATOM 606 CG GLU A 40 59.423 4.184 -2.785 1.00 1.06 C ATOM 607 CD GLU A 40 59.415 2.656 -2.855 1.00 1.41 C ATOM 608 OE1 GLU A 40 58.388 2.074 -2.548 1.00 1.60 O ATOM 609 OE2 GLU A 40 60.436 2.093 -3.212 1.00 2.23 O ATOM 0 H GLU A 40 59.625 6.354 -1.068 1.00 0.52 H new ATOM 0 HA GLU A 40 57.302 4.687 -0.123 1.00 0.56 H new ATOM 0 HB2 GLU A 40 57.304 3.991 -2.403 1.00 0.71 H new ATOM 0 HB3 GLU A 40 57.850 5.649 -2.556 1.00 0.71 H new ATOM 0 HG2 GLU A 40 59.534 4.604 -3.785 1.00 1.06 H new ATOM 0 HG3 GLU A 40 60.275 4.527 -2.198 1.00 1.06 H new ATOM 616 N LEU A 41 60.424 3.788 -0.082 1.00 0.51 N ATOM 617 CA LEU A 41 61.317 2.706 0.428 1.00 0.54 C ATOM 618 C LEU A 41 60.738 2.099 1.709 1.00 0.56 C ATOM 619 O LEU A 41 60.827 0.908 1.938 1.00 0.70 O ATOM 620 CB LEU A 41 62.650 3.397 0.714 1.00 0.62 C ATOM 621 CG LEU A 41 63.678 2.357 1.160 1.00 0.64 C ATOM 622 CD1 LEU A 41 65.017 2.632 0.472 1.00 1.18 C ATOM 623 CD2 LEU A 41 63.860 2.437 2.677 1.00 1.40 C ATOM 0 H LEU A 41 60.902 4.629 -0.406 1.00 0.51 H new ATOM 0 HA LEU A 41 61.426 1.889 -0.286 1.00 0.54 H new ATOM 0 HB2 LEU A 41 63.003 3.913 -0.179 1.00 0.62 H new ATOM 0 HB3 LEU A 41 62.521 4.152 1.489 1.00 0.62 H new ATOM 0 HG LEU A 41 63.327 1.362 0.887 1.00 0.64 H new ATOM 0 HD11 LEU A 41 65.749 1.890 0.791 1.00 1.18 H new ATOM 0 HD12 LEU A 41 64.889 2.575 -0.609 1.00 1.18 H new ATOM 0 HD13 LEU A 41 65.368 3.628 0.743 1.00 1.18 H new ATOM 0 HD21 LEU A 41 64.593 1.696 2.995 1.00 1.40 H new ATOM 0 HD22 LEU A 41 64.209 3.433 2.950 1.00 1.40 H new ATOM 0 HD23 LEU A 41 62.907 2.240 3.169 1.00 1.40 H new ATOM 635 N GLY A 42 60.148 2.906 2.546 1.00 0.57 N ATOM 636 CA GLY A 42 59.567 2.373 3.811 1.00 0.60 C ATOM 637 C GLY A 42 58.745 1.118 3.510 1.00 0.55 C ATOM 638 O GLY A 42 58.937 0.080 4.112 1.00 0.57 O ATOM 0 H GLY A 42 60.043 3.911 2.409 1.00 0.57 H new ATOM 0 HA2 GLY A 42 60.363 2.138 4.518 1.00 0.60 H new ATOM 0 HA3 GLY A 42 58.937 3.129 4.280 1.00 0.60 H new ATOM 642 N LYS A 43 57.830 1.205 2.583 1.00 0.57 N ATOM 643 CA LYS A 43 56.996 0.015 2.246 1.00 0.58 C ATOM 644 C LYS A 43 57.873 -1.100 1.668 1.00 0.56 C ATOM 645 O LYS A 43 57.613 -2.271 1.859 1.00 0.60 O ATOM 646 CB LYS A 43 56.001 0.513 1.196 1.00 0.65 C ATOM 647 CG LYS A 43 55.014 1.484 1.847 1.00 0.99 C ATOM 648 CD LYS A 43 54.356 2.346 0.768 1.00 1.28 C ATOM 649 CE LYS A 43 53.244 3.191 1.393 1.00 1.53 C ATOM 650 NZ LYS A 43 52.374 3.588 0.250 1.00 1.86 N ATOM 0 H LYS A 43 57.624 2.047 2.045 1.00 0.57 H new ATOM 0 HA LYS A 43 56.494 -0.398 3.121 1.00 0.58 H new ATOM 0 HB2 LYS A 43 56.532 1.008 0.383 1.00 0.65 H new ATOM 0 HB3 LYS A 43 55.464 -0.330 0.760 1.00 0.65 H new ATOM 0 HG2 LYS A 43 54.254 0.931 2.398 1.00 0.99 H new ATOM 0 HG3 LYS A 43 55.532 2.117 2.567 1.00 0.99 H new ATOM 0 HD2 LYS A 43 55.099 2.993 0.302 1.00 1.28 H new ATOM 0 HD3 LYS A 43 53.946 1.712 -0.018 1.00 1.28 H new ATOM 0 HE2 LYS A 43 52.685 2.621 2.135 1.00 1.53 H new ATOM 0 HE3 LYS A 43 53.651 4.065 1.902 1.00 1.53 H new ATOM 0 HZ1 LYS A 43 51.587 4.171 0.599 1.00 1.86 H new ATOM 0 HZ2 LYS A 43 52.931 4.134 -0.437 1.00 1.86 H new ATOM 0 HZ3 LYS A 43 51.996 2.736 -0.211 1.00 1.86 H new ATOM 664 N VAL A 44 58.910 -0.743 0.961 1.00 0.54 N ATOM 665 CA VAL A 44 59.806 -1.779 0.369 1.00 0.56 C ATOM 666 C VAL A 44 60.667 -2.421 1.465 1.00 0.59 C ATOM 667 O VAL A 44 61.083 -3.557 1.353 1.00 0.57 O ATOM 668 CB VAL A 44 60.666 -1.012 -0.645 1.00 0.59 C ATOM 669 CG1 VAL A 44 62.035 -1.684 -0.806 1.00 1.36 C ATOM 670 CG2 VAL A 44 59.956 -0.998 -2.000 1.00 1.36 C ATOM 0 H VAL A 44 59.177 0.222 0.767 1.00 0.54 H new ATOM 0 HA VAL A 44 59.259 -2.594 -0.104 1.00 0.56 H new ATOM 0 HB VAL A 44 60.810 0.006 -0.283 1.00 0.59 H new ATOM 0 HG11 VAL A 44 62.631 -1.127 -1.529 1.00 1.36 H new ATOM 0 HG12 VAL A 44 62.549 -1.697 0.155 1.00 1.36 H new ATOM 0 HG13 VAL A 44 61.899 -2.706 -1.159 1.00 1.36 H new ATOM 0 HG21 VAL A 44 60.563 -0.454 -2.723 1.00 1.36 H new ATOM 0 HG22 VAL A 44 59.810 -2.022 -2.345 1.00 1.36 H new ATOM 0 HG23 VAL A 44 58.988 -0.508 -1.898 1.00 1.36 H new ATOM 680 N MET A 45 60.941 -1.703 2.518 1.00 0.74 N ATOM 681 CA MET A 45 61.778 -2.274 3.612 1.00 0.84 C ATOM 682 C MET A 45 60.955 -3.245 4.465 1.00 0.86 C ATOM 683 O MET A 45 61.457 -4.241 4.945 1.00 0.89 O ATOM 684 CB MET A 45 62.217 -1.069 4.444 1.00 0.96 C ATOM 685 CG MET A 45 63.461 -0.441 3.815 1.00 1.12 C ATOM 686 SD MET A 45 64.852 -1.591 3.952 1.00 1.48 S ATOM 687 CE MET A 45 66.168 -0.350 3.990 1.00 0.73 C ATOM 0 H MET A 45 60.622 -0.746 2.669 1.00 0.74 H new ATOM 0 HA MET A 45 62.628 -2.837 3.227 1.00 0.84 H new ATOM 0 HB2 MET A 45 61.412 -0.336 4.494 1.00 0.96 H new ATOM 0 HB3 MET A 45 62.431 -1.378 5.467 1.00 0.96 H new ATOM 0 HG2 MET A 45 63.272 -0.205 2.768 1.00 1.12 H new ATOM 0 HG3 MET A 45 63.700 0.497 4.315 1.00 1.12 H new ATOM 0 HE1 MET A 45 67.118 -0.834 4.215 1.00 0.73 H new ATOM 0 HE2 MET A 45 66.232 0.142 3.019 1.00 0.73 H new ATOM 0 HE3 MET A 45 65.947 0.391 4.758 1.00 0.73 H new ATOM 697 N ARG A 46 59.697 -2.959 4.660 1.00 0.94 N ATOM 698 CA ARG A 46 58.845 -3.863 5.488 1.00 1.04 C ATOM 699 C ARG A 46 58.330 -5.035 4.646 1.00 1.00 C ATOM 700 O ARG A 46 58.014 -6.089 5.163 1.00 1.04 O ATOM 701 CB ARG A 46 57.683 -2.989 5.956 1.00 1.21 C ATOM 702 CG ARG A 46 56.754 -2.699 4.776 1.00 1.04 C ATOM 703 CD ARG A 46 55.526 -1.932 5.270 1.00 1.77 C ATOM 704 NE ARG A 46 54.431 -2.941 5.305 1.00 2.29 N ATOM 705 CZ ARG A 46 53.710 -3.159 4.240 1.00 2.76 C ATOM 706 NH1 ARG A 46 54.150 -2.792 3.068 1.00 3.45 N ATOM 707 NH2 ARG A 46 52.547 -3.742 4.348 1.00 3.10 N ATOM 0 H ARG A 46 59.221 -2.139 4.283 1.00 0.94 H new ATOM 0 HA ARG A 46 59.396 -4.295 6.323 1.00 1.04 H new ATOM 0 HB2 ARG A 46 57.132 -3.493 6.751 1.00 1.21 H new ATOM 0 HB3 ARG A 46 58.061 -2.055 6.373 1.00 1.21 H new ATOM 0 HG2 ARG A 46 57.280 -2.116 4.020 1.00 1.04 H new ATOM 0 HG3 ARG A 46 56.447 -3.632 4.303 1.00 1.04 H new ATOM 0 HD2 ARG A 46 55.699 -1.503 6.257 1.00 1.77 H new ATOM 0 HD3 ARG A 46 55.281 -1.106 4.602 1.00 1.77 H new ATOM 0 HE ARG A 46 54.245 -3.462 6.162 1.00 2.29 H new ATOM 0 HH11 ARG A 46 55.058 -2.335 2.984 1.00 3.45 H new ATOM 0 HH12 ARG A 46 53.586 -2.963 2.235 1.00 3.45 H new ATOM 0 HH21 ARG A 46 52.202 -4.027 5.265 1.00 3.10 H new ATOM 0 HH22 ARG A 46 51.983 -3.913 3.516 1.00 3.10 H new ATOM 721 N MET A 47 58.241 -4.862 3.357 1.00 0.98 N ATOM 722 CA MET A 47 57.744 -5.970 2.490 1.00 1.04 C ATOM 723 C MET A 47 58.882 -6.943 2.185 1.00 0.99 C ATOM 724 O MET A 47 58.671 -8.125 1.996 1.00 1.07 O ATOM 725 CB MET A 47 57.262 -5.286 1.209 1.00 1.19 C ATOM 726 CG MET A 47 55.833 -4.778 1.408 1.00 1.37 C ATOM 727 SD MET A 47 54.878 -5.059 -0.103 1.00 1.89 S ATOM 728 CE MET A 47 56.030 -4.266 -1.251 1.00 1.30 C ATOM 0 H MET A 47 58.490 -4.004 2.866 1.00 0.98 H new ATOM 0 HA MET A 47 56.949 -6.546 2.965 1.00 1.04 H new ATOM 0 HB2 MET A 47 57.922 -4.456 0.957 1.00 1.19 H new ATOM 0 HB3 MET A 47 57.297 -5.987 0.375 1.00 1.19 H new ATOM 0 HG2 MET A 47 55.366 -5.293 2.247 1.00 1.37 H new ATOM 0 HG3 MET A 47 55.844 -3.716 1.652 1.00 1.37 H new ATOM 0 HE1 MET A 47 55.476 -3.846 -2.091 1.00 1.30 H new ATOM 0 HE2 MET A 47 56.566 -3.469 -0.736 1.00 1.30 H new ATOM 0 HE3 MET A 47 56.743 -5.004 -1.619 1.00 1.30 H new ATOM 738 N LEU A 48 60.088 -6.453 2.138 1.00 0.93 N ATOM 739 CA LEU A 48 61.248 -7.341 1.849 1.00 0.98 C ATOM 740 C LEU A 48 61.682 -8.060 3.132 1.00 1.32 C ATOM 741 O LEU A 48 62.084 -9.206 3.108 1.00 1.80 O ATOM 742 CB LEU A 48 62.336 -6.387 1.333 1.00 1.21 C ATOM 743 CG LEU A 48 63.736 -6.957 1.592 1.00 1.28 C ATOM 744 CD1 LEU A 48 64.120 -6.724 3.054 1.00 2.11 C ATOM 745 CD2 LEU A 48 63.759 -8.458 1.286 1.00 1.86 C ATOM 0 H LEU A 48 60.322 -5.472 2.288 1.00 0.93 H new ATOM 0 HA LEU A 48 61.026 -8.123 1.123 1.00 0.98 H new ATOM 0 HB2 LEU A 48 62.200 -6.219 0.265 1.00 1.21 H new ATOM 0 HB3 LEU A 48 62.238 -5.418 1.823 1.00 1.21 H new ATOM 0 HG LEU A 48 64.451 -6.453 0.942 1.00 1.28 H new ATOM 0 HD11 LEU A 48 65.115 -7.129 3.238 1.00 2.11 H new ATOM 0 HD12 LEU A 48 64.119 -5.655 3.264 1.00 2.11 H new ATOM 0 HD13 LEU A 48 63.400 -7.222 3.703 1.00 2.11 H new ATOM 0 HD21 LEU A 48 64.758 -8.852 1.473 1.00 1.86 H new ATOM 0 HD22 LEU A 48 63.041 -8.971 1.926 1.00 1.86 H new ATOM 0 HD23 LEU A 48 63.495 -8.620 0.241 1.00 1.86 H new ATOM 757 N GLY A 49 61.599 -7.397 4.255 1.00 1.36 N ATOM 758 CA GLY A 49 62.004 -8.046 5.534 1.00 1.95 C ATOM 759 C GLY A 49 62.350 -6.974 6.571 1.00 1.43 C ATOM 760 O GLY A 49 61.785 -6.930 7.646 1.00 1.92 O ATOM 0 H GLY A 49 61.269 -6.436 4.341 1.00 1.36 H new ATOM 0 HA2 GLY A 49 61.196 -8.677 5.905 1.00 1.95 H new ATOM 0 HA3 GLY A 49 62.864 -8.695 5.367 1.00 1.95 H new ATOM 764 N GLN A 50 63.276 -6.110 6.258 1.00 1.21 N ATOM 765 CA GLN A 50 63.658 -5.042 7.228 1.00 1.01 C ATOM 766 C GLN A 50 62.407 -4.422 7.855 1.00 1.02 C ATOM 767 O GLN A 50 61.306 -4.600 7.373 1.00 1.23 O ATOM 768 CB GLN A 50 64.411 -4.003 6.396 1.00 1.43 C ATOM 769 CG GLN A 50 65.768 -4.570 5.979 1.00 1.58 C ATOM 770 CD GLN A 50 66.819 -4.205 7.028 1.00 2.45 C ATOM 771 OE1 GLN A 50 66.492 -3.966 8.173 1.00 3.08 O ATOM 772 NE2 GLN A 50 68.077 -4.152 6.684 1.00 3.14 N ATOM 0 H GLN A 50 63.785 -6.096 5.374 1.00 1.21 H new ATOM 0 HA GLN A 50 64.265 -5.427 8.047 1.00 1.01 H new ATOM 0 HB2 GLN A 50 63.829 -3.737 5.513 1.00 1.43 H new ATOM 0 HB3 GLN A 50 64.549 -3.089 6.974 1.00 1.43 H new ATOM 0 HG2 GLN A 50 65.705 -5.653 5.874 1.00 1.58 H new ATOM 0 HG3 GLN A 50 66.057 -4.172 5.006 1.00 1.58 H new ATOM 0 HE21 GLN A 50 68.352 -4.353 5.722 1.00 3.14 H new ATOM 0 HE22 GLN A 50 68.785 -3.910 7.377 1.00 3.14 H new ATOM 781 N ASN A 51 62.567 -3.697 8.927 1.00 0.98 N ATOM 782 CA ASN A 51 61.387 -3.066 9.585 1.00 1.08 C ATOM 783 C ASN A 51 61.802 -1.768 10.282 1.00 0.93 C ATOM 784 O ASN A 51 61.547 -1.584 11.456 1.00 1.15 O ATOM 785 CB ASN A 51 60.906 -4.095 10.608 1.00 1.52 C ATOM 786 CG ASN A 51 62.023 -4.376 11.615 1.00 1.82 C ATOM 787 OD1 ASN A 51 63.100 -3.823 11.515 1.00 2.25 O ATOM 788 ND2 ASN A 51 61.810 -5.217 12.590 1.00 2.47 N ATOM 0 H ASN A 51 63.464 -3.514 9.377 1.00 0.98 H new ATOM 0 HA ASN A 51 60.605 -2.807 8.871 1.00 1.08 H new ATOM 0 HB2 ASN A 51 60.021 -3.723 11.125 1.00 1.52 H new ATOM 0 HB3 ASN A 51 60.617 -5.017 10.104 1.00 1.52 H new ATOM 0 HD21 ASN A 51 62.548 -5.410 13.268 1.00 2.47 H new ATOM 0 HD22 ASN A 51 60.906 -5.682 12.674 1.00 2.47 H new ATOM 795 N PRO A 52 62.432 -0.909 9.528 1.00 0.72 N ATOM 796 CA PRO A 52 62.891 0.391 10.075 1.00 0.80 C ATOM 797 C PRO A 52 61.699 1.327 10.292 1.00 0.80 C ATOM 798 O PRO A 52 60.561 0.955 10.086 1.00 0.80 O ATOM 799 CB PRO A 52 63.816 0.929 8.987 1.00 0.85 C ATOM 800 CG PRO A 52 63.354 0.271 7.725 1.00 0.79 C ATOM 801 CD PRO A 52 62.771 -1.064 8.110 1.00 0.71 C ATOM 0 HA PRO A 52 63.387 0.301 11.042 1.00 0.80 H new ATOM 0 HB2 PRO A 52 63.749 2.014 8.913 1.00 0.85 H new ATOM 0 HB3 PRO A 52 64.857 0.688 9.200 1.00 0.85 H new ATOM 0 HG2 PRO A 52 62.609 0.886 7.220 1.00 0.79 H new ATOM 0 HG3 PRO A 52 64.185 0.143 7.031 1.00 0.79 H new ATOM 0 HD2 PRO A 52 61.891 -1.302 7.513 1.00 0.71 H new ATOM 0 HD3 PRO A 52 63.487 -1.871 7.957 1.00 0.71 H new ATOM 809 N THR A 53 61.950 2.539 10.705 1.00 0.87 N ATOM 810 CA THR A 53 60.828 3.495 10.933 1.00 0.92 C ATOM 811 C THR A 53 60.939 4.679 9.968 1.00 0.82 C ATOM 812 O THR A 53 62.014 5.008 9.509 1.00 0.76 O ATOM 813 CB THR A 53 60.991 3.960 12.381 1.00 1.08 C ATOM 814 OG1 THR A 53 60.182 5.106 12.602 1.00 1.26 O ATOM 815 CG2 THR A 53 62.456 4.306 12.646 1.00 1.54 C ATOM 0 H THR A 53 62.882 2.909 10.894 1.00 0.87 H new ATOM 0 HA THR A 53 59.853 3.038 10.762 1.00 0.92 H new ATOM 0 HB THR A 53 60.682 3.162 13.057 1.00 1.08 H new ATOM 0 HG1 THR A 53 59.643 4.975 13.410 1.00 1.26 H new ATOM 0 HG21 THR A 53 62.571 4.637 13.678 1.00 1.54 H new ATOM 0 HG22 THR A 53 63.074 3.424 12.477 1.00 1.54 H new ATOM 0 HG23 THR A 53 62.769 5.103 11.972 1.00 1.54 H new ATOM 823 N PRO A 54 59.812 5.277 9.690 1.00 0.82 N ATOM 824 CA PRO A 54 59.771 6.437 8.765 1.00 0.75 C ATOM 825 C PRO A 54 60.348 7.689 9.435 1.00 0.73 C ATOM 826 O PRO A 54 60.904 8.551 8.783 1.00 0.69 O ATOM 827 CB PRO A 54 58.282 6.612 8.480 1.00 0.83 C ATOM 828 CG PRO A 54 57.587 6.016 9.663 1.00 0.94 C ATOM 829 CD PRO A 54 58.483 4.932 10.205 1.00 0.93 C ATOM 0 HA PRO A 54 60.362 6.282 7.862 1.00 0.75 H new ATOM 0 HB2 PRO A 54 58.024 7.664 8.360 1.00 0.83 H new ATOM 0 HB3 PRO A 54 57.995 6.107 7.558 1.00 0.83 H new ATOM 0 HG2 PRO A 54 57.399 6.775 10.422 1.00 0.94 H new ATOM 0 HG3 PRO A 54 56.619 5.607 9.375 1.00 0.94 H new ATOM 0 HD2 PRO A 54 58.470 4.912 11.295 1.00 0.93 H new ATOM 0 HD3 PRO A 54 58.167 3.946 9.864 1.00 0.93 H new ATOM 837 N GLU A 55 60.216 7.801 10.728 1.00 0.85 N ATOM 838 CA GLU A 55 60.754 9.004 11.429 1.00 0.87 C ATOM 839 C GLU A 55 62.274 9.090 11.256 1.00 0.84 C ATOM 840 O GLU A 55 62.845 10.162 11.237 1.00 0.82 O ATOM 841 CB GLU A 55 60.389 8.808 12.902 1.00 1.02 C ATOM 842 CG GLU A 55 61.015 7.511 13.417 1.00 1.48 C ATOM 843 CD GLU A 55 62.260 7.839 14.246 1.00 2.02 C ATOM 844 OE1 GLU A 55 62.704 8.973 14.187 1.00 2.57 O ATOM 845 OE2 GLU A 55 62.747 6.949 14.924 1.00 2.53 O ATOM 0 H GLU A 55 59.760 7.114 11.329 1.00 0.85 H new ATOM 0 HA GLU A 55 60.340 9.929 11.028 1.00 0.87 H new ATOM 0 HB2 GLU A 55 60.744 9.654 13.491 1.00 1.02 H new ATOM 0 HB3 GLU A 55 59.306 8.772 13.017 1.00 1.02 H new ATOM 0 HG2 GLU A 55 60.295 6.963 14.024 1.00 1.48 H new ATOM 0 HG3 GLU A 55 61.282 6.866 12.580 1.00 1.48 H new ATOM 852 N GLU A 56 62.932 7.970 11.125 1.00 0.88 N ATOM 853 CA GLU A 56 64.413 7.993 10.950 1.00 0.91 C ATOM 854 C GLU A 56 64.765 8.062 9.462 1.00 0.80 C ATOM 855 O GLU A 56 65.752 8.655 9.074 1.00 0.81 O ATOM 856 CB GLU A 56 64.903 6.676 11.554 1.00 1.00 C ATOM 857 CG GLU A 56 65.224 6.879 13.036 1.00 1.44 C ATOM 858 CD GLU A 56 66.429 6.019 13.420 1.00 1.39 C ATOM 859 OE1 GLU A 56 67.021 5.433 12.529 1.00 1.79 O ATOM 860 OE2 GLU A 56 66.739 5.961 14.599 1.00 2.00 O ATOM 0 H GLU A 56 62.509 7.042 11.132 1.00 0.88 H new ATOM 0 HA GLU A 56 64.873 8.858 11.428 1.00 0.91 H new ATOM 0 HB2 GLU A 56 64.141 5.906 11.439 1.00 1.00 H new ATOM 0 HB3 GLU A 56 65.790 6.329 11.024 1.00 1.00 H new ATOM 0 HG2 GLU A 56 65.437 7.930 13.232 1.00 1.44 H new ATOM 0 HG3 GLU A 56 64.362 6.609 13.646 1.00 1.44 H new ATOM 867 N LEU A 57 63.967 7.457 8.627 1.00 0.75 N ATOM 868 CA LEU A 57 64.252 7.483 7.165 1.00 0.70 C ATOM 869 C LEU A 57 64.697 8.883 6.732 1.00 0.67 C ATOM 870 O LEU A 57 65.848 9.109 6.417 1.00 0.71 O ATOM 871 CB LEU A 57 62.927 7.111 6.498 1.00 0.69 C ATOM 872 CG LEU A 57 63.158 5.979 5.496 1.00 1.00 C ATOM 873 CD1 LEU A 57 62.581 4.677 6.053 1.00 1.51 C ATOM 874 CD2 LEU A 57 62.463 6.318 4.175 1.00 1.41 C ATOM 0 H LEU A 57 63.127 6.944 8.895 1.00 0.75 H new ATOM 0 HA LEU A 57 65.055 6.799 6.890 1.00 0.70 H new ATOM 0 HB2 LEU A 57 62.203 6.801 7.252 1.00 0.69 H new ATOM 0 HB3 LEU A 57 62.507 7.980 5.991 1.00 0.69 H new ATOM 0 HG LEU A 57 64.228 5.859 5.326 1.00 1.00 H new ATOM 0 HD11 LEU A 57 62.746 3.871 5.338 1.00 1.51 H new ATOM 0 HD12 LEU A 57 63.074 4.434 6.994 1.00 1.51 H new ATOM 0 HD13 LEU A 57 61.511 4.797 6.224 1.00 1.51 H new ATOM 0 HD21 LEU A 57 62.627 5.512 3.460 1.00 1.41 H new ATOM 0 HD22 LEU A 57 61.393 6.438 4.347 1.00 1.41 H new ATOM 0 HD23 LEU A 57 62.873 7.246 3.776 1.00 1.41 H new ATOM 886 N GLN A 58 63.792 9.823 6.711 1.00 0.68 N ATOM 887 CA GLN A 58 64.162 11.207 6.293 1.00 0.72 C ATOM 888 C GLN A 58 65.469 11.640 6.964 1.00 0.71 C ATOM 889 O GLN A 58 66.228 12.416 6.418 1.00 0.79 O ATOM 890 CB GLN A 58 63.003 12.085 6.765 1.00 0.79 C ATOM 891 CG GLN A 58 61.810 11.906 5.824 1.00 1.09 C ATOM 892 CD GLN A 58 61.835 12.997 4.753 1.00 1.67 C ATOM 893 OE1 GLN A 58 61.713 14.167 5.058 1.00 2.37 O ATOM 894 NE2 GLN A 58 61.990 12.662 3.501 1.00 2.20 N ATOM 0 H GLN A 58 62.813 9.694 6.965 1.00 0.68 H new ATOM 0 HA GLN A 58 64.322 11.281 5.217 1.00 0.72 H new ATOM 0 HB2 GLN A 58 62.720 11.816 7.783 1.00 0.79 H new ATOM 0 HB3 GLN A 58 63.310 13.131 6.785 1.00 0.79 H new ATOM 0 HG2 GLN A 58 61.847 10.922 5.356 1.00 1.09 H new ATOM 0 HG3 GLN A 58 60.878 11.956 6.388 1.00 1.09 H new ATOM 0 HE21 GLN A 58 62.092 11.680 3.245 1.00 2.20 H new ATOM 0 HE22 GLN A 58 62.009 13.382 2.779 1.00 2.20 H new ATOM 903 N GLU A 59 65.737 11.151 8.143 1.00 0.70 N ATOM 904 CA GLU A 59 66.994 11.545 8.844 1.00 0.72 C ATOM 905 C GLU A 59 68.195 10.810 8.240 1.00 0.73 C ATOM 906 O GLU A 59 69.187 11.413 7.882 1.00 0.75 O ATOM 907 CB GLU A 59 66.788 11.129 10.300 1.00 0.75 C ATOM 908 CG GLU A 59 68.018 11.523 11.120 1.00 1.37 C ATOM 909 CD GLU A 59 67.586 11.913 12.535 1.00 1.66 C ATOM 910 OE1 GLU A 59 66.994 12.970 12.682 1.00 2.42 O ATOM 911 OE2 GLU A 59 67.854 11.148 13.447 1.00 2.02 O ATOM 0 H GLU A 59 65.142 10.497 8.652 1.00 0.70 H new ATOM 0 HA GLU A 59 67.197 12.612 8.751 1.00 0.72 H new ATOM 0 HB2 GLU A 59 65.898 11.611 10.705 1.00 0.75 H new ATOM 0 HB3 GLU A 59 66.625 10.053 10.363 1.00 0.75 H new ATOM 0 HG2 GLU A 59 68.723 10.692 11.160 1.00 1.37 H new ATOM 0 HG3 GLU A 59 68.534 12.356 10.643 1.00 1.37 H new ATOM 918 N MET A 60 68.116 9.512 8.127 1.00 0.79 N ATOM 919 CA MET A 60 69.257 8.743 7.550 1.00 0.84 C ATOM 920 C MET A 60 69.447 9.100 6.072 1.00 0.82 C ATOM 921 O MET A 60 70.543 9.058 5.549 1.00 0.96 O ATOM 922 CB MET A 60 68.860 7.275 7.699 1.00 0.93 C ATOM 923 CG MET A 60 69.884 6.393 6.983 1.00 1.27 C ATOM 924 SD MET A 60 69.985 4.789 7.814 1.00 1.65 S ATOM 925 CE MET A 60 68.289 4.254 7.477 1.00 0.97 C ATOM 0 H MET A 60 67.312 8.951 8.409 1.00 0.79 H new ATOM 0 HA MET A 60 70.199 8.965 8.052 1.00 0.84 H new ATOM 0 HB2 MET A 60 68.808 7.007 8.754 1.00 0.93 H new ATOM 0 HB3 MET A 60 67.867 7.112 7.280 1.00 0.93 H new ATOM 0 HG2 MET A 60 69.597 6.257 5.940 1.00 1.27 H new ATOM 0 HG3 MET A 60 70.861 6.877 6.984 1.00 1.27 H new ATOM 0 HE1 MET A 60 68.222 3.171 7.579 1.00 0.97 H new ATOM 0 HE2 MET A 60 67.610 4.728 8.186 1.00 0.97 H new ATOM 0 HE3 MET A 60 68.012 4.541 6.463 1.00 0.97 H new ATOM 935 N ILE A 61 68.388 9.450 5.396 1.00 0.76 N ATOM 936 CA ILE A 61 68.507 9.806 3.951 1.00 0.78 C ATOM 937 C ILE A 61 69.107 11.206 3.792 1.00 0.77 C ATOM 938 O ILE A 61 69.622 11.555 2.749 1.00 0.82 O ATOM 939 CB ILE A 61 67.076 9.772 3.421 1.00 0.81 C ATOM 940 CG1 ILE A 61 66.510 8.358 3.576 1.00 0.90 C ATOM 941 CG2 ILE A 61 67.067 10.166 1.943 1.00 0.89 C ATOM 942 CD1 ILE A 61 64.982 8.418 3.617 1.00 0.98 C ATOM 0 H ILE A 61 67.445 9.505 5.780 1.00 0.76 H new ATOM 0 HA ILE A 61 69.161 9.122 3.410 1.00 0.78 H new ATOM 0 HB ILE A 61 66.463 10.474 3.986 1.00 0.81 H new ATOM 0 HG12 ILE A 61 66.837 7.732 2.746 1.00 0.90 H new ATOM 0 HG13 ILE A 61 66.891 7.901 4.490 1.00 0.90 H new ATOM 0 HG21 ILE A 61 66.045 10.141 1.566 1.00 0.89 H new ATOM 0 HG22 ILE A 61 67.470 11.173 1.832 1.00 0.89 H new ATOM 0 HG23 ILE A 61 67.680 9.465 1.376 1.00 0.89 H new ATOM 0 HD11 ILE A 61 64.581 7.410 3.727 1.00 0.98 H new ATOM 0 HD12 ILE A 61 64.664 9.029 4.462 1.00 0.98 H new ATOM 0 HD13 ILE A 61 64.610 8.857 2.691 1.00 0.98 H new ATOM 954 N ASP A 62 69.043 12.011 4.817 1.00 0.82 N ATOM 955 CA ASP A 62 69.608 13.389 4.720 1.00 0.90 C ATOM 956 C ASP A 62 71.110 13.331 4.427 1.00 0.85 C ATOM 957 O ASP A 62 71.557 13.687 3.354 1.00 0.91 O ATOM 958 CB ASP A 62 69.352 14.017 6.090 1.00 1.03 C ATOM 959 CG ASP A 62 68.784 15.426 5.909 1.00 1.58 C ATOM 960 OD1 ASP A 62 69.567 16.339 5.710 1.00 2.24 O ATOM 961 OD2 ASP A 62 67.574 15.567 5.974 1.00 2.06 O ATOM 0 H ASP A 62 68.625 11.776 5.717 1.00 0.82 H new ATOM 0 HA ASP A 62 69.153 13.965 3.914 1.00 0.90 H new ATOM 0 HB2 ASP A 62 68.654 13.403 6.658 1.00 1.03 H new ATOM 0 HB3 ASP A 62 70.279 14.058 6.662 1.00 1.03 H new ATOM 966 N GLU A 63 71.894 12.892 5.373 1.00 0.84 N ATOM 967 CA GLU A 63 73.366 12.817 5.150 1.00 0.91 C ATOM 968 C GLU A 63 73.687 11.835 4.020 1.00 1.01 C ATOM 969 O GLU A 63 74.776 11.830 3.481 1.00 1.32 O ATOM 970 CB GLU A 63 73.942 12.316 6.476 1.00 0.99 C ATOM 971 CG GLU A 63 73.420 10.906 6.757 1.00 1.35 C ATOM 972 CD GLU A 63 73.708 10.537 8.213 1.00 1.55 C ATOM 973 OE1 GLU A 63 74.804 10.073 8.480 1.00 2.14 O ATOM 974 OE2 GLU A 63 72.828 10.725 9.037 1.00 2.00 O ATOM 0 H GLU A 63 71.579 12.582 6.292 1.00 0.84 H new ATOM 0 HA GLU A 63 73.787 13.779 4.858 1.00 0.91 H new ATOM 0 HB2 GLU A 63 75.031 12.310 6.433 1.00 0.99 H new ATOM 0 HB3 GLU A 63 73.658 12.989 7.285 1.00 0.99 H new ATOM 0 HG2 GLU A 63 72.348 10.858 6.564 1.00 1.35 H new ATOM 0 HG3 GLU A 63 73.897 10.190 6.088 1.00 1.35 H new ATOM 981 N VAL A 64 72.750 11.003 3.658 1.00 0.92 N ATOM 982 CA VAL A 64 73.008 10.022 2.563 1.00 1.07 C ATOM 983 C VAL A 64 72.769 10.676 1.198 1.00 1.13 C ATOM 984 O VAL A 64 73.535 10.500 0.273 1.00 1.54 O ATOM 985 CB VAL A 64 72.009 8.890 2.799 1.00 1.23 C ATOM 986 CG1 VAL A 64 72.013 7.947 1.597 1.00 2.24 C ATOM 987 CG2 VAL A 64 72.407 8.113 4.057 1.00 1.42 C ATOM 0 H VAL A 64 71.818 10.959 4.071 1.00 0.92 H new ATOM 0 HA VAL A 64 74.037 9.663 2.566 1.00 1.07 H new ATOM 0 HB VAL A 64 71.011 9.308 2.929 1.00 1.23 H new ATOM 0 HG11 VAL A 64 71.300 7.140 1.766 1.00 2.24 H new ATOM 0 HG12 VAL A 64 71.731 8.499 0.701 1.00 2.24 H new ATOM 0 HG13 VAL A 64 73.011 7.529 1.466 1.00 2.24 H new ATOM 0 HG21 VAL A 64 71.695 7.305 4.226 1.00 1.42 H new ATOM 0 HG22 VAL A 64 73.405 7.695 3.926 1.00 1.42 H new ATOM 0 HG23 VAL A 64 72.405 8.785 4.915 1.00 1.42 H new ATOM 997 N ASP A 65 71.710 11.428 1.068 1.00 1.00 N ATOM 998 CA ASP A 65 71.424 12.090 -0.238 1.00 1.14 C ATOM 999 C ASP A 65 72.064 13.482 -0.280 1.00 1.45 C ATOM 1000 O ASP A 65 71.396 14.487 -0.141 1.00 1.74 O ATOM 1001 CB ASP A 65 69.900 12.198 -0.301 1.00 1.21 C ATOM 1002 CG ASP A 65 69.357 11.165 -1.290 1.00 2.09 C ATOM 1003 OD1 ASP A 65 70.144 10.374 -1.782 1.00 2.83 O ATOM 1004 OD2 ASP A 65 68.162 11.183 -1.539 1.00 2.63 O ATOM 0 H ASP A 65 71.032 11.613 1.807 1.00 1.00 H new ATOM 0 HA ASP A 65 71.829 11.531 -1.081 1.00 1.14 H new ATOM 0 HB2 ASP A 65 69.472 12.031 0.687 1.00 1.21 H new ATOM 0 HB3 ASP A 65 69.608 13.202 -0.610 1.00 1.21 H new ATOM 1043 N SER A 69 68.123 14.574 -3.420 1.00 1.42 N ATOM 1044 CA SER A 69 67.227 14.165 -4.539 1.00 1.79 C ATOM 1045 C SER A 69 65.979 13.463 -3.992 1.00 1.42 C ATOM 1046 O SER A 69 64.907 13.556 -4.554 1.00 1.97 O ATOM 1047 CB SER A 69 68.060 13.200 -5.379 1.00 2.79 C ATOM 1048 OG SER A 69 69.425 13.593 -5.330 1.00 3.72 O ATOM 0 HA SER A 69 66.879 15.018 -5.122 1.00 1.79 H new ATOM 0 HB2 SER A 69 67.949 12.183 -5.003 1.00 2.79 H new ATOM 0 HB3 SER A 69 67.707 13.199 -6.410 1.00 2.79 H new ATOM 0 HG SER A 69 69.656 13.858 -4.415 1.00 3.72 H new ATOM 1054 N GLY A 70 66.112 12.762 -2.899 1.00 1.01 N ATOM 1055 CA GLY A 70 64.934 12.055 -2.320 1.00 1.07 C ATOM 1056 C GLY A 70 64.659 10.779 -3.116 1.00 0.84 C ATOM 1057 O GLY A 70 63.533 10.337 -3.230 1.00 0.87 O ATOM 0 H GLY A 70 66.984 12.648 -2.382 1.00 1.01 H new ATOM 0 HA2 GLY A 70 65.122 11.810 -1.275 1.00 1.07 H new ATOM 0 HA3 GLY A 70 64.060 12.705 -2.343 1.00 1.07 H new ATOM 1061 N THR A 71 65.679 10.182 -3.669 1.00 0.70 N ATOM 1062 CA THR A 71 65.477 8.931 -4.457 1.00 0.55 C ATOM 1063 C THR A 71 66.667 7.989 -4.259 1.00 0.54 C ATOM 1064 O THR A 71 67.810 8.402 -4.290 1.00 0.72 O ATOM 1065 CB THR A 71 65.391 9.386 -5.915 1.00 0.60 C ATOM 1066 OG1 THR A 71 66.524 10.187 -6.226 1.00 0.83 O ATOM 1067 CG2 THR A 71 64.114 10.201 -6.124 1.00 0.81 C ATOM 0 H THR A 71 66.644 10.506 -3.610 1.00 0.70 H new ATOM 0 HA THR A 71 64.583 8.388 -4.149 1.00 0.55 H new ATOM 0 HB THR A 71 65.371 8.513 -6.568 1.00 0.60 H new ATOM 0 HG1 THR A 71 67.265 9.951 -5.630 1.00 0.83 H new ATOM 0 HG21 THR A 71 64.055 10.524 -7.163 1.00 0.81 H new ATOM 0 HG22 THR A 71 63.247 9.586 -5.885 1.00 0.81 H new ATOM 0 HG23 THR A 71 64.129 11.075 -5.473 1.00 0.81 H new ATOM 1075 N VAL A 72 66.409 6.728 -4.051 1.00 0.52 N ATOM 1076 CA VAL A 72 67.529 5.766 -3.846 1.00 0.65 C ATOM 1077 C VAL A 72 67.583 4.733 -4.968 1.00 0.56 C ATOM 1078 O VAL A 72 66.574 4.304 -5.491 1.00 0.57 O ATOM 1079 CB VAL A 72 67.239 5.068 -2.515 1.00 0.92 C ATOM 1080 CG1 VAL A 72 67.721 5.953 -1.373 1.00 1.52 C ATOM 1081 CG2 VAL A 72 65.736 4.813 -2.367 1.00 1.23 C ATOM 0 H VAL A 72 65.474 6.322 -4.014 1.00 0.52 H new ATOM 0 HA VAL A 72 68.489 6.283 -3.843 1.00 0.65 H new ATOM 0 HB VAL A 72 67.761 4.112 -2.490 1.00 0.92 H new ATOM 0 HG11 VAL A 72 67.518 5.462 -0.421 1.00 1.52 H new ATOM 0 HG12 VAL A 72 68.793 6.123 -1.472 1.00 1.52 H new ATOM 0 HG13 VAL A 72 67.198 6.909 -1.407 1.00 1.52 H new ATOM 0 HG21 VAL A 72 65.543 4.316 -1.416 1.00 1.23 H new ATOM 0 HG22 VAL A 72 65.201 5.762 -2.395 1.00 1.23 H new ATOM 0 HG23 VAL A 72 65.392 4.179 -3.184 1.00 1.23 H new ATOM 1091 N ASP A 73 68.765 4.314 -5.319 1.00 0.64 N ATOM 1092 CA ASP A 73 68.916 3.288 -6.383 1.00 0.70 C ATOM 1093 C ASP A 73 69.555 2.041 -5.773 1.00 0.70 C ATOM 1094 O ASP A 73 69.780 1.975 -4.581 1.00 0.71 O ATOM 1095 CB ASP A 73 69.844 3.922 -7.422 1.00 0.85 C ATOM 1096 CG ASP A 73 69.396 5.358 -7.698 1.00 1.25 C ATOM 1097 OD1 ASP A 73 68.277 5.687 -7.341 1.00 1.91 O ATOM 1098 OD2 ASP A 73 70.179 6.104 -8.261 1.00 1.72 O ATOM 0 H ASP A 73 69.640 4.642 -4.910 1.00 0.64 H new ATOM 0 HA ASP A 73 67.968 2.991 -6.831 1.00 0.70 H new ATOM 0 HB2 ASP A 73 70.872 3.914 -7.060 1.00 0.85 H new ATOM 0 HB3 ASP A 73 69.826 3.341 -8.344 1.00 0.85 H new ATOM 1103 N PHE A 74 69.855 1.054 -6.566 1.00 0.81 N ATOM 1104 CA PHE A 74 70.482 -0.171 -5.997 1.00 0.87 C ATOM 1105 C PHE A 74 71.768 0.200 -5.260 1.00 0.76 C ATOM 1106 O PHE A 74 72.195 -0.478 -4.347 1.00 0.74 O ATOM 1107 CB PHE A 74 70.791 -1.056 -7.204 1.00 1.04 C ATOM 1108 CG PHE A 74 70.297 -2.454 -6.935 1.00 1.34 C ATOM 1109 CD1 PHE A 74 69.058 -2.648 -6.317 1.00 2.11 C ATOM 1110 CD2 PHE A 74 71.078 -3.554 -7.302 1.00 2.16 C ATOM 1111 CE1 PHE A 74 68.596 -3.945 -6.065 1.00 3.02 C ATOM 1112 CE2 PHE A 74 70.617 -4.853 -7.052 1.00 3.14 C ATOM 1113 CZ PHE A 74 69.376 -5.048 -6.433 1.00 3.42 C ATOM 0 H PHE A 74 69.696 1.040 -7.573 1.00 0.81 H new ATOM 0 HA PHE A 74 69.835 -0.676 -5.280 1.00 0.87 H new ATOM 0 HB2 PHE A 74 70.312 -0.654 -8.097 1.00 1.04 H new ATOM 0 HB3 PHE A 74 71.864 -1.068 -7.396 1.00 1.04 H new ATOM 0 HD1 PHE A 74 68.457 -1.797 -6.034 1.00 2.11 H new ATOM 0 HD2 PHE A 74 72.036 -3.402 -7.778 1.00 2.16 H new ATOM 0 HE1 PHE A 74 67.639 -4.095 -5.587 1.00 3.02 H new ATOM 0 HE2 PHE A 74 71.218 -5.704 -7.337 1.00 3.14 H new ATOM 0 HZ PHE A 74 69.021 -6.049 -6.239 1.00 3.42 H new ATOM 1123 N ASP A 75 72.386 1.276 -5.653 1.00 0.79 N ATOM 1124 CA ASP A 75 73.646 1.706 -4.983 1.00 0.78 C ATOM 1125 C ASP A 75 73.345 2.271 -3.591 1.00 0.71 C ATOM 1126 O ASP A 75 74.012 1.954 -2.626 1.00 0.67 O ATOM 1127 CB ASP A 75 74.222 2.795 -5.887 1.00 0.96 C ATOM 1128 CG ASP A 75 74.836 2.153 -7.133 1.00 1.50 C ATOM 1129 OD1 ASP A 75 75.598 1.214 -6.978 1.00 1.99 O ATOM 1130 OD2 ASP A 75 74.532 2.612 -8.222 1.00 2.18 O ATOM 0 H ASP A 75 72.073 1.880 -6.413 1.00 0.79 H new ATOM 0 HA ASP A 75 74.341 0.878 -4.844 1.00 0.78 H new ATOM 0 HB2 ASP A 75 73.438 3.496 -6.175 1.00 0.96 H new ATOM 0 HB3 ASP A 75 74.979 3.366 -5.349 1.00 0.96 H new ATOM 1135 N GLU A 76 72.348 3.107 -3.478 1.00 0.74 N ATOM 1136 CA GLU A 76 72.013 3.690 -2.147 1.00 0.72 C ATOM 1137 C GLU A 76 71.219 2.683 -1.312 1.00 0.61 C ATOM 1138 O GLU A 76 71.594 2.352 -0.203 1.00 0.60 O ATOM 1139 CB GLU A 76 71.161 4.922 -2.456 1.00 0.82 C ATOM 1140 CG GLU A 76 71.996 5.936 -3.242 1.00 0.96 C ATOM 1141 CD GLU A 76 72.627 6.939 -2.275 1.00 1.36 C ATOM 1142 OE1 GLU A 76 73.557 6.559 -1.583 1.00 2.01 O ATOM 1143 OE2 GLU A 76 72.168 8.070 -2.242 1.00 2.14 O ATOM 0 H GLU A 76 71.752 3.411 -4.248 1.00 0.74 H new ATOM 0 HA GLU A 76 72.904 3.945 -1.573 1.00 0.72 H new ATOM 0 HB2 GLU A 76 70.282 4.634 -3.032 1.00 0.82 H new ATOM 0 HB3 GLU A 76 70.802 5.371 -1.530 1.00 0.82 H new ATOM 0 HG2 GLU A 76 72.773 5.422 -3.807 1.00 0.96 H new ATOM 0 HG3 GLU A 76 71.368 6.457 -3.965 1.00 0.96 H new ATOM 1150 N PHE A 77 70.126 2.193 -1.830 1.00 0.60 N ATOM 1151 CA PHE A 77 69.314 1.210 -1.059 1.00 0.54 C ATOM 1152 C PHE A 77 70.227 0.171 -0.401 1.00 0.48 C ATOM 1153 O PHE A 77 70.180 -0.042 0.794 1.00 0.55 O ATOM 1154 CB PHE A 77 68.401 0.550 -2.092 1.00 0.61 C ATOM 1155 CG PHE A 77 67.464 -0.411 -1.400 1.00 0.67 C ATOM 1156 CD1 PHE A 77 66.944 -0.097 -0.137 1.00 1.30 C ATOM 1157 CD2 PHE A 77 67.114 -1.616 -2.020 1.00 1.52 C ATOM 1158 CE1 PHE A 77 66.075 -0.988 0.503 1.00 1.38 C ATOM 1159 CE2 PHE A 77 66.245 -2.507 -1.379 1.00 1.78 C ATOM 1160 CZ PHE A 77 65.725 -2.194 -0.118 1.00 1.25 C ATOM 0 H PHE A 77 69.761 2.430 -2.752 1.00 0.60 H new ATOM 0 HA PHE A 77 68.744 1.682 -0.259 1.00 0.54 H new ATOM 0 HB2 PHE A 77 67.830 1.310 -2.626 1.00 0.61 H new ATOM 0 HB3 PHE A 77 68.998 0.020 -2.834 1.00 0.61 H new ATOM 0 HD1 PHE A 77 67.214 0.832 0.342 1.00 1.30 H new ATOM 0 HD2 PHE A 77 67.514 -1.859 -2.993 1.00 1.52 H new ATOM 0 HE1 PHE A 77 65.674 -0.746 1.476 1.00 1.38 H new ATOM 0 HE2 PHE A 77 65.976 -3.437 -1.858 1.00 1.78 H new ATOM 0 HZ PHE A 77 65.054 -2.882 0.376 1.00 1.25 H new ATOM 1170 N LEU A 78 71.059 -0.476 -1.172 1.00 0.46 N ATOM 1171 CA LEU A 78 71.973 -1.498 -0.586 1.00 0.49 C ATOM 1172 C LEU A 78 72.795 -0.879 0.548 1.00 0.48 C ATOM 1173 O LEU A 78 72.909 -1.436 1.621 1.00 0.54 O ATOM 1174 CB LEU A 78 72.883 -1.925 -1.739 1.00 0.56 C ATOM 1175 CG LEU A 78 72.161 -2.960 -2.603 1.00 0.78 C ATOM 1176 CD1 LEU A 78 72.996 -3.261 -3.848 1.00 1.70 C ATOM 1177 CD2 LEU A 78 71.965 -4.247 -1.799 1.00 0.70 C ATOM 0 H LEU A 78 71.145 -0.342 -2.179 1.00 0.46 H new ATOM 0 HA LEU A 78 71.432 -2.344 -0.162 1.00 0.49 H new ATOM 0 HB2 LEU A 78 73.155 -1.058 -2.342 1.00 0.56 H new ATOM 0 HB3 LEU A 78 73.810 -2.345 -1.348 1.00 0.56 H new ATOM 0 HG LEU A 78 71.190 -2.566 -2.904 1.00 0.78 H new ATOM 0 HD11 LEU A 78 72.480 -3.999 -4.463 1.00 1.70 H new ATOM 0 HD12 LEU A 78 73.137 -2.345 -4.422 1.00 1.70 H new ATOM 0 HD13 LEU A 78 73.967 -3.654 -3.548 1.00 1.70 H new ATOM 0 HD21 LEU A 78 71.450 -4.985 -2.414 1.00 0.70 H new ATOM 0 HD22 LEU A 78 72.936 -4.639 -1.498 1.00 0.70 H new ATOM 0 HD23 LEU A 78 71.368 -4.035 -0.912 1.00 0.70 H new ATOM 1189 N VAL A 79 73.365 0.274 0.320 1.00 0.46 N ATOM 1190 CA VAL A 79 74.174 0.928 1.389 1.00 0.51 C ATOM 1191 C VAL A 79 73.314 1.145 2.635 1.00 0.53 C ATOM 1192 O VAL A 79 73.713 0.832 3.740 1.00 0.64 O ATOM 1193 CB VAL A 79 74.605 2.269 0.796 1.00 0.54 C ATOM 1194 CG1 VAL A 79 75.369 3.073 1.850 1.00 0.67 C ATOM 1195 CG2 VAL A 79 75.512 2.023 -0.412 1.00 0.62 C ATOM 0 H VAL A 79 73.306 0.790 -0.558 1.00 0.46 H new ATOM 0 HA VAL A 79 75.030 0.324 1.691 1.00 0.51 H new ATOM 0 HB VAL A 79 73.723 2.827 0.483 1.00 0.54 H new ATOM 0 HG11 VAL A 79 75.676 4.029 1.426 1.00 0.67 H new ATOM 0 HG12 VAL A 79 74.725 3.248 2.712 1.00 0.67 H new ATOM 0 HG13 VAL A 79 76.251 2.515 2.164 1.00 0.67 H new ATOM 0 HG21 VAL A 79 75.820 2.979 -0.836 1.00 0.62 H new ATOM 0 HG22 VAL A 79 76.393 1.464 -0.097 1.00 0.62 H new ATOM 0 HG23 VAL A 79 74.969 1.451 -1.164 1.00 0.62 H new ATOM 1205 N MET A 80 72.135 1.674 2.465 1.00 0.52 N ATOM 1206 CA MET A 80 71.246 1.909 3.638 1.00 0.60 C ATOM 1207 C MET A 80 70.680 0.577 4.142 1.00 0.62 C ATOM 1208 O MET A 80 70.255 0.460 5.274 1.00 0.71 O ATOM 1209 CB MET A 80 70.124 2.805 3.112 1.00 0.66 C ATOM 1210 CG MET A 80 70.634 4.242 2.986 1.00 1.11 C ATOM 1211 SD MET A 80 69.274 5.394 3.296 1.00 1.23 S ATOM 1212 CE MET A 80 68.509 5.289 1.660 1.00 0.86 C ATOM 0 H MET A 80 71.748 1.954 1.564 1.00 0.52 H new ATOM 0 HA MET A 80 71.774 2.368 4.474 1.00 0.60 H new ATOM 0 HB2 MET A 80 69.780 2.444 2.143 1.00 0.66 H new ATOM 0 HB3 MET A 80 69.269 2.769 3.787 1.00 0.66 H new ATOM 0 HG2 MET A 80 71.442 4.416 3.697 1.00 1.11 H new ATOM 0 HG3 MET A 80 71.045 4.407 1.990 1.00 1.11 H new ATOM 0 HE1 MET A 80 67.962 6.209 1.454 1.00 0.86 H new ATOM 0 HE2 MET A 80 69.283 5.150 0.905 1.00 0.86 H new ATOM 0 HE3 MET A 80 67.821 4.444 1.634 1.00 0.86 H new ATOM 1222 N MET A 81 70.674 -0.427 3.308 1.00 0.61 N ATOM 1223 CA MET A 81 70.139 -1.752 3.737 1.00 0.72 C ATOM 1224 C MET A 81 71.062 -2.382 4.782 1.00 0.79 C ATOM 1225 O MET A 81 70.670 -2.630 5.905 1.00 0.91 O ATOM 1226 CB MET A 81 70.113 -2.600 2.465 1.00 0.75 C ATOM 1227 CG MET A 81 68.787 -2.388 1.733 1.00 1.01 C ATOM 1228 SD MET A 81 68.042 -3.994 1.361 1.00 1.71 S ATOM 1229 CE MET A 81 67.142 -4.192 2.918 1.00 1.66 C ATOM 0 H MET A 81 71.016 -0.388 2.348 1.00 0.61 H new ATOM 0 HA MET A 81 69.152 -1.670 4.193 1.00 0.72 H new ATOM 0 HB2 MET A 81 70.945 -2.327 1.817 1.00 0.75 H new ATOM 0 HB3 MET A 81 70.237 -3.653 2.716 1.00 0.75 H new ATOM 0 HG2 MET A 81 68.110 -1.795 2.348 1.00 1.01 H new ATOM 0 HG3 MET A 81 68.953 -1.830 0.812 1.00 1.01 H new ATOM 0 HE1 MET A 81 67.295 -5.201 3.301 1.00 1.66 H new ATOM 0 HE2 MET A 81 67.509 -3.468 3.645 1.00 1.66 H new ATOM 0 HE3 MET A 81 66.078 -4.027 2.747 1.00 1.66 H new ATOM 1239 N VAL A 82 72.289 -2.645 4.421 1.00 0.78 N ATOM 1240 CA VAL A 82 73.238 -3.261 5.392 1.00 0.90 C ATOM 1241 C VAL A 82 73.477 -2.315 6.572 1.00 0.94 C ATOM 1242 O VAL A 82 74.017 -2.702 7.590 1.00 1.13 O ATOM 1243 CB VAL A 82 74.529 -3.474 4.603 1.00 0.98 C ATOM 1244 CG1 VAL A 82 74.284 -4.496 3.490 1.00 1.83 C ATOM 1245 CG2 VAL A 82 74.974 -2.147 3.984 1.00 1.38 C ATOM 0 H VAL A 82 72.675 -2.460 3.495 1.00 0.78 H new ATOM 0 HA VAL A 82 72.857 -4.194 5.807 1.00 0.90 H new ATOM 0 HB VAL A 82 75.306 -3.843 5.272 1.00 0.98 H new ATOM 0 HG11 VAL A 82 75.205 -4.648 2.927 1.00 1.83 H new ATOM 0 HG12 VAL A 82 73.966 -5.442 3.928 1.00 1.83 H new ATOM 0 HG13 VAL A 82 73.507 -4.126 2.821 1.00 1.83 H new ATOM 0 HG21 VAL A 82 75.895 -2.299 3.421 1.00 1.38 H new ATOM 0 HG22 VAL A 82 74.196 -1.779 3.315 1.00 1.38 H new ATOM 0 HG23 VAL A 82 75.148 -1.417 4.775 1.00 1.38 H new ATOM 1255 N ARG A 83 73.080 -1.079 6.446 1.00 0.84 N ATOM 1256 CA ARG A 83 73.287 -0.112 7.563 1.00 0.93 C ATOM 1257 C ARG A 83 71.984 0.078 8.347 1.00 0.93 C ATOM 1258 O ARG A 83 71.836 1.015 9.105 1.00 1.23 O ATOM 1259 CB ARG A 83 73.700 1.195 6.886 1.00 0.95 C ATOM 1260 CG ARG A 83 74.806 1.865 7.704 1.00 1.53 C ATOM 1261 CD ARG A 83 74.462 3.341 7.917 1.00 1.50 C ATOM 1262 NE ARG A 83 74.850 3.625 9.326 1.00 1.75 N ATOM 1263 CZ ARG A 83 76.109 3.629 9.668 1.00 2.02 C ATOM 1264 NH1 ARG A 83 76.928 4.490 9.129 1.00 2.58 N ATOM 1265 NH2 ARG A 83 76.549 2.770 10.547 1.00 2.44 N ATOM 0 H ARG A 83 72.622 -0.696 5.619 1.00 0.84 H new ATOM 0 HA ARG A 83 74.038 -0.458 8.273 1.00 0.93 H new ATOM 0 HB2 ARG A 83 74.051 0.997 5.873 1.00 0.95 H new ATOM 0 HB3 ARG A 83 72.841 1.861 6.802 1.00 0.95 H new ATOM 0 HG2 ARG A 83 74.916 1.364 8.666 1.00 1.53 H new ATOM 0 HG3 ARG A 83 75.761 1.774 7.187 1.00 1.53 H new ATOM 0 HD2 ARG A 83 75.007 3.978 7.221 1.00 1.50 H new ATOM 0 HD3 ARG A 83 73.400 3.527 7.754 1.00 1.50 H new ATOM 0 HE ARG A 83 74.131 3.816 10.024 1.00 1.75 H new ATOM 0 HH11 ARG A 83 76.584 5.159 8.441 1.00 2.58 H new ATOM 0 HH12 ARG A 83 77.912 4.494 9.396 1.00 2.58 H new ATOM 0 HH21 ARG A 83 75.909 2.096 10.966 1.00 2.44 H new ATOM 0 HH22 ARG A 83 77.533 2.773 10.815 1.00 2.44 H new ATOM 1279 N CYS A 84 71.040 -0.805 8.170 1.00 0.81 N ATOM 1280 CA CYS A 84 69.750 -0.674 8.905 1.00 0.94 C ATOM 1281 C CYS A 84 69.600 -1.813 9.917 1.00 1.01 C ATOM 1282 O CYS A 84 68.699 -1.818 10.732 1.00 1.67 O ATOM 1283 CB CYS A 84 68.668 -0.768 7.827 1.00 1.20 C ATOM 1284 SG CYS A 84 67.345 0.410 8.197 1.00 1.56 S ATOM 0 H CYS A 84 71.106 -1.611 7.549 1.00 0.81 H new ATOM 0 HA CYS A 84 69.687 0.259 9.465 1.00 0.94 H new ATOM 0 HB2 CYS A 84 69.096 -0.555 6.847 1.00 1.20 H new ATOM 0 HB3 CYS A 84 68.267 -1.781 7.786 1.00 1.20 H new ATOM 0 HG CYS A 84 66.426 0.332 7.281 1.00 1.56 H new ATOM 1290 N MET A 85 70.478 -2.779 9.874 1.00 1.25 N ATOM 1291 CA MET A 85 70.385 -3.915 10.834 1.00 1.43 C ATOM 1292 C MET A 85 71.748 -4.172 11.484 1.00 1.78 C ATOM 1293 O MET A 85 71.836 -4.530 12.641 1.00 2.66 O ATOM 1294 CB MET A 85 69.958 -5.116 9.988 1.00 1.49 C ATOM 1295 CG MET A 85 70.799 -5.165 8.712 1.00 1.71 C ATOM 1296 SD MET A 85 70.266 -6.562 7.693 1.00 1.93 S ATOM 1297 CE MET A 85 71.179 -6.114 6.196 1.00 1.59 C ATOM 0 H MET A 85 71.255 -2.830 9.215 1.00 1.25 H new ATOM 0 HA MET A 85 69.681 -3.716 11.642 1.00 1.43 H new ATOM 0 HB2 MET A 85 70.085 -6.038 10.556 1.00 1.49 H new ATOM 0 HB3 MET A 85 68.900 -5.040 9.736 1.00 1.49 H new ATOM 0 HG2 MET A 85 70.691 -4.233 8.156 1.00 1.71 H new ATOM 0 HG3 MET A 85 71.855 -5.266 8.963 1.00 1.71 H new ATOM 0 HE1 MET A 85 70.964 -6.836 5.409 1.00 1.59 H new ATOM 0 HE2 MET A 85 70.876 -5.119 5.869 1.00 1.59 H new ATOM 0 HE3 MET A 85 72.248 -6.116 6.408 1.00 1.59 H new