USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 388 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 9 ASN : amide:sc= -0.987 X(o=-0.99,f=-1) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.0177 X(o=-0.018,f=-0.14) USER MOD Single : A 16 GLN : amide:sc= -3.16! C(o=-3.2!,f=-8.5!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= -0.2! USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 103:sc= -0.467! USER MOD Single : A 27 SER OG : rot -54:sc= 0.433 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.988 K(o=-0.99,f=-1.5) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 57 N GLY A 5 69.381 4.475 -24.328 1.00 1.00 N ATOM 58 CA GLY A 5 69.431 4.856 -22.922 1.00 1.00 C ATOM 59 C GLY A 5 70.315 6.082 -22.721 1.00 1.00 C ATOM 60 O GLY A 5 71.543 5.984 -22.742 1.00 1.00 O ATOM 0 HA2 GLY A 5 68.424 5.066 -22.562 1.00 1.00 H new ATOM 0 HA3 GLY A 5 69.814 4.025 -22.329 1.00 1.00 H new ATOM 64 N ASP A 6 69.684 7.236 -22.529 1.00 1.00 N ATOM 65 CA ASP A 6 70.424 8.476 -22.326 1.00 1.00 C ATOM 66 C ASP A 6 71.350 8.356 -21.120 1.00 1.00 C ATOM 67 O ASP A 6 72.117 9.271 -20.821 1.00 1.00 O ATOM 68 CB ASP A 6 69.451 9.636 -22.111 1.00 1.00 C ATOM 69 CG ASP A 6 69.986 10.897 -22.780 1.00 1.00 C ATOM 70 OD1 ASP A 6 70.156 10.876 -23.988 1.00 1.00 O ATOM 71 OD2 ASP A 6 70.218 11.865 -22.075 1.00 1.00 O ATOM 0 H ASP A 6 68.669 7.338 -22.510 1.00 1.00 H new ATOM 0 HA ASP A 6 71.026 8.667 -23.214 1.00 1.00 H new ATOM 0 HB2 ASP A 6 68.474 9.383 -22.523 1.00 1.00 H new ATOM 0 HB3 ASP A 6 69.312 9.812 -21.044 1.00 1.00 H new ATOM 76 N PHE A 7 71.274 7.222 -20.432 1.00 1.00 N ATOM 77 CA PHE A 7 72.110 6.993 -19.259 1.00 1.00 C ATOM 78 C PHE A 7 72.377 5.503 -19.073 1.00 1.00 C ATOM 79 O PHE A 7 72.563 5.031 -17.952 1.00 1.00 O ATOM 80 CB PHE A 7 71.423 7.550 -18.011 1.00 1.00 C ATOM 81 CG PHE A 7 69.964 7.164 -18.023 1.00 1.00 C ATOM 82 CD1 PHE A 7 69.574 5.891 -17.590 1.00 1.00 C ATOM 83 CD2 PHE A 7 69.001 8.077 -18.469 1.00 1.00 C ATOM 84 CE1 PHE A 7 68.221 5.531 -17.601 1.00 1.00 C ATOM 85 CE2 PHE A 7 67.648 7.717 -18.481 1.00 1.00 C ATOM 86 CZ PHE A 7 67.258 6.445 -18.047 1.00 1.00 C ATOM 0 H PHE A 7 70.647 6.452 -20.664 1.00 1.00 H new ATOM 0 HA PHE A 7 73.061 7.505 -19.409 1.00 1.00 H new ATOM 0 HB2 PHE A 7 71.905 7.162 -17.114 1.00 1.00 H new ATOM 0 HB3 PHE A 7 71.523 8.635 -17.982 1.00 1.00 H new ATOM 0 HD1 PHE A 7 70.317 5.186 -17.247 1.00 1.00 H new ATOM 0 HD2 PHE A 7 69.302 9.059 -18.804 1.00 1.00 H new ATOM 0 HE1 PHE A 7 67.920 4.549 -17.266 1.00 1.00 H new ATOM 0 HE2 PHE A 7 66.905 8.421 -18.825 1.00 1.00 H new ATOM 0 HZ PHE A 7 66.214 6.168 -18.056 1.00 1.00 H new ATOM 96 N ASP A 8 72.392 4.767 -20.180 1.00 1.00 N ATOM 97 CA ASP A 8 72.636 3.330 -20.127 1.00 1.00 C ATOM 98 C ASP A 8 73.903 3.030 -19.332 1.00 1.00 C ATOM 99 O ASP A 8 75.014 3.131 -19.854 1.00 1.00 O ATOM 100 CB ASP A 8 72.777 2.771 -21.543 1.00 1.00 C ATOM 101 CG ASP A 8 73.805 3.581 -22.324 1.00 1.00 C ATOM 102 OD1 ASP A 8 73.913 4.769 -22.068 1.00 1.00 O ATOM 103 OD2 ASP A 8 74.472 3.001 -23.166 1.00 1.00 O ATOM 0 H ASP A 8 72.239 5.138 -21.118 1.00 1.00 H new ATOM 0 HA ASP A 8 71.789 2.856 -19.632 1.00 1.00 H new ATOM 0 HB2 ASP A 8 73.082 1.725 -21.501 1.00 1.00 H new ATOM 0 HB3 ASP A 8 71.814 2.802 -22.053 1.00 1.00 H new ATOM 108 N ASN A 9 73.730 2.663 -18.066 1.00 1.00 N ATOM 109 CA ASN A 9 74.866 2.351 -17.209 1.00 1.00 C ATOM 110 C ASN A 9 74.454 1.385 -16.102 1.00 1.00 C ATOM 111 O ASN A 9 75.179 0.442 -15.787 1.00 1.00 O ATOM 112 CB ASN A 9 75.420 3.635 -16.587 1.00 1.00 C ATOM 113 CG ASN A 9 76.227 4.409 -17.623 1.00 1.00 C ATOM 114 OD1 ASN A 9 77.269 3.938 -18.078 1.00 1.00 O ATOM 115 ND2 ASN A 9 75.805 5.577 -18.025 1.00 1.00 N ATOM 0 H ASN A 9 72.820 2.575 -17.614 1.00 1.00 H new ATOM 0 HA ASN A 9 75.637 1.880 -17.819 1.00 1.00 H new ATOM 0 HB2 ASN A 9 74.601 4.252 -16.216 1.00 1.00 H new ATOM 0 HB3 ASN A 9 76.049 3.392 -15.731 1.00 1.00 H new ATOM 0 HD21 ASN A 9 76.339 6.102 -18.718 1.00 1.00 H new ATOM 0 HD22 ASN A 9 74.941 5.965 -17.646 1.00 1.00 H new ATOM 122 N TYR A 10 73.284 1.626 -15.519 1.00 1.00 N ATOM 123 CA TYR A 10 72.785 0.770 -14.449 1.00 1.00 C ATOM 124 C TYR A 10 71.728 -0.192 -14.983 1.00 1.00 C ATOM 125 O TYR A 10 71.586 -1.310 -14.488 1.00 1.00 O ATOM 126 CB TYR A 10 72.181 1.626 -13.334 1.00 1.00 C ATOM 127 CG TYR A 10 73.248 2.520 -12.751 1.00 1.00 C ATOM 128 CD1 TYR A 10 74.085 2.042 -11.735 1.00 1.00 C ATOM 129 CD2 TYR A 10 73.400 3.829 -13.225 1.00 1.00 C ATOM 130 CE1 TYR A 10 75.075 2.871 -11.195 1.00 1.00 C ATOM 131 CE2 TYR A 10 74.389 4.658 -12.684 1.00 1.00 C ATOM 132 CZ TYR A 10 75.227 4.180 -11.669 1.00 1.00 C ATOM 133 OH TYR A 10 76.202 4.997 -11.136 1.00 1.00 O ATOM 0 H TYR A 10 72.668 2.400 -15.767 1.00 1.00 H new ATOM 0 HA TYR A 10 73.620 0.192 -14.052 1.00 1.00 H new ATOM 0 HB2 TYR A 10 71.362 2.228 -13.727 1.00 1.00 H new ATOM 0 HB3 TYR A 10 71.763 0.987 -12.557 1.00 1.00 H new ATOM 0 HD1 TYR A 10 73.966 1.033 -11.368 1.00 1.00 H new ATOM 0 HD2 TYR A 10 72.754 4.198 -14.008 1.00 1.00 H new ATOM 0 HE1 TYR A 10 75.722 2.501 -10.413 1.00 1.00 H new ATOM 0 HE2 TYR A 10 74.506 5.667 -13.050 1.00 1.00 H new ATOM 0 HH TYR A 10 76.173 5.872 -11.577 1.00 1.00 H new ATOM 143 N TYR A 11 70.991 0.250 -15.996 1.00 1.00 N ATOM 144 CA TYR A 11 69.950 -0.581 -16.589 1.00 1.00 C ATOM 145 C TYR A 11 68.772 -0.727 -15.632 1.00 1.00 C ATOM 146 O TYR A 11 67.672 -0.246 -15.907 1.00 1.00 O ATOM 147 CB TYR A 11 70.513 -1.963 -16.926 1.00 1.00 C ATOM 148 CG TYR A 11 70.003 -2.399 -18.278 1.00 1.00 C ATOM 149 CD1 TYR A 11 70.518 -1.816 -19.442 1.00 1.00 C ATOM 150 CD2 TYR A 11 69.015 -3.387 -18.369 1.00 1.00 C ATOM 151 CE1 TYR A 11 70.046 -2.219 -20.696 1.00 1.00 C ATOM 152 CE2 TYR A 11 68.542 -3.791 -19.623 1.00 1.00 C ATOM 153 CZ TYR A 11 69.058 -3.207 -20.786 1.00 1.00 C ATOM 154 OH TYR A 11 68.591 -3.605 -22.023 1.00 1.00 O ATOM 0 H TYR A 11 71.094 1.172 -16.421 1.00 1.00 H new ATOM 0 HA TYR A 11 69.603 -0.099 -17.503 1.00 1.00 H new ATOM 0 HB2 TYR A 11 71.603 -1.933 -16.929 1.00 1.00 H new ATOM 0 HB3 TYR A 11 70.216 -2.684 -16.164 1.00 1.00 H new ATOM 0 HD1 TYR A 11 71.280 -1.054 -19.372 1.00 1.00 H new ATOM 0 HD2 TYR A 11 68.618 -3.837 -17.471 1.00 1.00 H new ATOM 0 HE1 TYR A 11 70.443 -1.768 -21.594 1.00 1.00 H new ATOM 0 HE2 TYR A 11 67.780 -4.553 -19.693 1.00 1.00 H new ATOM 0 HH TYR A 11 67.909 -4.299 -21.907 1.00 1.00 H new ATOM 164 N GLY A 12 69.008 -1.395 -14.508 1.00 1.00 N ATOM 165 CA GLY A 12 67.958 -1.598 -13.516 1.00 1.00 C ATOM 166 C GLY A 12 67.696 -0.319 -12.733 1.00 1.00 C ATOM 167 O GLY A 12 67.303 -0.362 -11.567 1.00 1.00 O ATOM 0 H GLY A 12 69.910 -1.803 -14.262 1.00 1.00 H new ATOM 0 HA2 GLY A 12 67.042 -1.920 -14.011 1.00 1.00 H new ATOM 0 HA3 GLY A 12 68.248 -2.395 -12.832 1.00 1.00 H new ATOM 171 N ALA A 13 67.915 0.821 -13.380 1.00 1.00 N ATOM 172 CA ALA A 13 67.698 2.108 -12.731 1.00 1.00 C ATOM 173 C ALA A 13 66.236 2.263 -12.328 1.00 1.00 C ATOM 174 O ALA A 13 65.538 1.274 -12.102 1.00 1.00 O ATOM 175 CB ALA A 13 68.094 3.245 -13.675 1.00 1.00 C ATOM 0 H ALA A 13 68.240 0.880 -14.345 1.00 1.00 H new ATOM 0 HA ALA A 13 68.317 2.151 -11.835 1.00 1.00 H new ATOM 0 HB1 ALA A 13 67.928 4.202 -13.181 1.00 1.00 H new ATOM 0 HB2 ALA A 13 69.148 3.150 -13.937 1.00 1.00 H new ATOM 0 HB3 ALA A 13 67.489 3.194 -14.580 1.00 1.00 H new ATOM 181 N ASP A 14 65.778 3.507 -12.238 1.00 1.00 N ATOM 182 CA ASP A 14 64.396 3.776 -11.859 1.00 1.00 C ATOM 183 C ASP A 14 64.012 2.965 -10.626 1.00 1.00 C ATOM 184 O ASP A 14 62.836 2.865 -10.276 1.00 1.00 O ATOM 185 CB ASP A 14 63.463 3.425 -13.017 1.00 1.00 C ATOM 186 CG ASP A 14 62.187 4.256 -12.932 1.00 1.00 C ATOM 187 OD1 ASP A 14 61.477 4.117 -11.950 1.00 1.00 O ATOM 188 OD2 ASP A 14 61.936 5.015 -13.854 1.00 1.00 O ATOM 0 H ASP A 14 66.339 4.339 -12.421 1.00 1.00 H new ATOM 0 HA ASP A 14 64.300 4.836 -11.624 1.00 1.00 H new ATOM 0 HB2 ASP A 14 63.964 3.610 -13.967 1.00 1.00 H new ATOM 0 HB3 ASP A 14 63.218 2.363 -12.988 1.00 1.00 H new ATOM 193 N ASN A 15 65.015 2.394 -9.966 1.00 1.00 N ATOM 194 CA ASN A 15 64.777 1.600 -8.770 1.00 1.00 C ATOM 195 C ASN A 15 65.020 2.445 -7.526 1.00 1.00 C ATOM 196 O ASN A 15 64.533 2.125 -6.441 1.00 1.00 O ATOM 197 CB ASN A 15 65.704 0.383 -8.757 1.00 1.00 C ATOM 198 CG ASN A 15 65.112 -0.715 -7.879 1.00 1.00 C ATOM 199 OD1 ASN A 15 63.980 -1.144 -8.101 1.00 1.00 O ATOM 200 ND2 ASN A 15 65.814 -1.196 -6.890 1.00 1.00 N ATOM 0 H ASN A 15 65.995 2.467 -10.239 1.00 1.00 H new ATOM 0 HA ASN A 15 63.741 1.260 -8.774 1.00 1.00 H new ATOM 0 HB2 ASN A 15 65.845 0.012 -9.772 1.00 1.00 H new ATOM 0 HB3 ASN A 15 66.687 0.669 -8.383 1.00 1.00 H new ATOM 0 HD21 ASN A 15 65.425 -1.930 -6.298 1.00 1.00 H new ATOM 0 HD22 ASN A 15 66.752 -0.838 -6.709 1.00 1.00 H new ATOM 207 N GLN A 16 65.777 3.526 -7.695 1.00 1.00 N ATOM 208 CA GLN A 16 66.084 4.419 -6.586 1.00 1.00 C ATOM 209 C GLN A 16 65.341 5.738 -6.748 1.00 1.00 C ATOM 210 O GLN A 16 65.837 6.797 -6.363 1.00 1.00 O ATOM 211 CB GLN A 16 67.590 4.681 -6.528 1.00 1.00 C ATOM 212 CG GLN A 16 68.333 3.597 -7.312 1.00 1.00 C ATOM 213 CD GLN A 16 68.197 3.852 -8.809 1.00 1.00 C ATOM 214 OE1 GLN A 16 67.378 4.671 -9.228 1.00 1.00 O ATOM 215 NE2 GLN A 16 68.955 3.198 -9.646 1.00 1.00 N ATOM 0 H GLN A 16 66.187 3.803 -8.587 1.00 1.00 H new ATOM 0 HA GLN A 16 65.765 3.944 -5.658 1.00 1.00 H new ATOM 0 HB2 GLN A 16 67.814 5.663 -6.945 1.00 1.00 H new ATOM 0 HB3 GLN A 16 67.928 4.690 -5.492 1.00 1.00 H new ATOM 0 HG2 GLN A 16 69.386 3.589 -7.030 1.00 1.00 H new ATOM 0 HG3 GLN A 16 67.929 2.615 -7.064 1.00 1.00 H new ATOM 0 HE21 GLN A 16 69.633 2.520 -9.298 1.00 1.00 H new ATOM 0 HE22 GLN A 16 68.870 3.365 -10.649 1.00 1.00 H new ATOM 224 N SER A 17 64.148 5.661 -7.321 1.00 1.00 N ATOM 225 CA SER A 17 63.333 6.851 -7.534 1.00 1.00 C ATOM 226 C SER A 17 61.853 6.523 -7.368 1.00 1.00 C ATOM 227 O SER A 17 61.475 5.359 -7.238 1.00 1.00 O ATOM 228 CB SER A 17 63.579 7.407 -8.937 1.00 1.00 C ATOM 229 OG SER A 17 63.479 8.825 -8.905 1.00 1.00 O ATOM 0 H SER A 17 63.724 4.792 -7.646 1.00 1.00 H new ATOM 0 HA SER A 17 63.614 7.599 -6.792 1.00 1.00 H new ATOM 0 HB2 SER A 17 64.566 7.109 -9.291 1.00 1.00 H new ATOM 0 HB3 SER A 17 62.851 6.995 -9.636 1.00 1.00 H new ATOM 0 HG SER A 17 63.638 9.184 -9.803 1.00 1.00 H new ATOM 235 N GLU A 18 61.019 7.558 -7.374 1.00 1.00 N ATOM 236 CA GLU A 18 59.580 7.368 -7.223 1.00 1.00 C ATOM 237 C GLU A 18 59.041 6.462 -8.325 1.00 1.00 C ATOM 238 O GLU A 18 58.454 6.935 -9.298 1.00 1.00 O ATOM 239 CB GLU A 18 58.866 8.721 -7.275 1.00 1.00 C ATOM 240 CG GLU A 18 59.408 9.627 -6.169 1.00 1.00 C ATOM 241 CD GLU A 18 59.810 10.978 -6.753 1.00 1.00 C ATOM 242 OE1 GLU A 18 60.922 11.082 -7.243 1.00 1.00 O ATOM 243 OE2 GLU A 18 58.999 11.889 -6.700 1.00 1.00 O ATOM 0 H GLU A 18 61.311 8.529 -7.481 1.00 1.00 H new ATOM 0 HA GLU A 18 59.394 6.897 -6.258 1.00 1.00 H new ATOM 0 HB2 GLU A 18 59.018 9.187 -8.249 1.00 1.00 H new ATOM 0 HB3 GLU A 18 57.792 8.582 -7.152 1.00 1.00 H new ATOM 0 HG2 GLU A 18 58.651 9.766 -5.397 1.00 1.00 H new ATOM 0 HG3 GLU A 18 60.268 9.157 -5.691 1.00 1.00 H new ATOM 250 N CYS A 19 59.245 5.159 -8.166 1.00 1.00 N ATOM 251 CA CYS A 19 58.774 4.196 -9.154 1.00 1.00 C ATOM 252 C CYS A 19 57.327 4.486 -9.540 1.00 1.00 C ATOM 253 O CYS A 19 57.029 4.774 -10.700 1.00 1.00 O ATOM 254 CB CYS A 19 58.879 2.777 -8.593 1.00 1.00 C ATOM 255 SG CYS A 19 58.165 2.731 -6.930 1.00 1.00 S ATOM 0 H CYS A 19 59.730 4.748 -7.368 1.00 1.00 H new ATOM 0 HA CYS A 19 59.399 4.283 -10.043 1.00 1.00 H new ATOM 0 HB2 CYS A 19 58.356 2.077 -9.245 1.00 1.00 H new ATOM 0 HB3 CYS A 19 59.922 2.463 -8.561 1.00 1.00 H new ATOM 0 HG CYS A 19 58.252 1.525 -6.454 1.00 1.00 H new ATOM 261 N GLU A 20 56.432 4.410 -8.560 1.00 1.00 N ATOM 262 CA GLU A 20 55.018 4.666 -8.807 1.00 1.00 C ATOM 263 C GLU A 20 54.427 5.525 -7.694 1.00 1.00 C ATOM 264 O GLU A 20 53.225 5.792 -7.675 1.00 1.00 O ATOM 265 CB GLU A 20 54.254 3.343 -8.893 1.00 1.00 C ATOM 266 CG GLU A 20 55.210 2.228 -9.322 1.00 1.00 C ATOM 267 CD GLU A 20 54.427 0.949 -9.598 1.00 1.00 C ATOM 268 OE1 GLU A 20 53.660 0.940 -10.547 1.00 1.00 O ATOM 269 OE2 GLU A 20 54.607 -0.004 -8.858 1.00 1.00 O ATOM 0 H GLU A 20 56.659 4.175 -7.594 1.00 1.00 H new ATOM 0 HA GLU A 20 54.925 5.201 -9.752 1.00 1.00 H new ATOM 0 HB2 GLU A 20 53.810 3.104 -7.927 1.00 1.00 H new ATOM 0 HB3 GLU A 20 53.435 3.429 -9.607 1.00 1.00 H new ATOM 0 HG2 GLU A 20 55.757 2.530 -10.215 1.00 1.00 H new ATOM 0 HG3 GLU A 20 55.949 2.051 -8.541 1.00 1.00 H new ATOM 276 N TYR A 21 55.278 5.954 -6.769 1.00 1.00 N ATOM 277 CA TYR A 21 54.828 6.783 -5.657 1.00 1.00 C ATOM 278 C TYR A 21 54.707 8.241 -6.088 1.00 1.00 C ATOM 279 O TYR A 21 55.373 9.118 -5.538 1.00 1.00 O ATOM 280 CB TYR A 21 55.814 6.673 -4.492 1.00 1.00 C ATOM 281 CG TYR A 21 55.614 5.353 -3.786 1.00 1.00 C ATOM 282 CD1 TYR A 21 56.321 4.220 -4.210 1.00 1.00 C ATOM 283 CD2 TYR A 21 54.724 5.261 -2.711 1.00 1.00 C ATOM 284 CE1 TYR A 21 56.136 2.996 -3.557 1.00 1.00 C ATOM 285 CE2 TYR A 21 54.539 4.036 -2.057 1.00 1.00 C ATOM 286 CZ TYR A 21 55.246 2.904 -2.481 1.00 1.00 C ATOM 287 OH TYR A 21 55.064 1.697 -1.836 1.00 1.00 O ATOM 0 H TYR A 21 56.276 5.744 -6.766 1.00 1.00 H new ATOM 0 HA TYR A 21 53.848 6.429 -5.338 1.00 1.00 H new ATOM 0 HB2 TYR A 21 56.837 6.750 -4.859 1.00 1.00 H new ATOM 0 HB3 TYR A 21 55.663 7.497 -3.795 1.00 1.00 H new ATOM 0 HD1 TYR A 21 57.008 4.291 -5.040 1.00 1.00 H new ATOM 0 HD2 TYR A 21 54.179 6.135 -2.385 1.00 1.00 H new ATOM 0 HE1 TYR A 21 56.680 2.122 -3.884 1.00 1.00 H new ATOM 0 HE2 TYR A 21 53.852 3.965 -1.227 1.00 1.00 H new ATOM 0 HH TYR A 21 54.414 1.808 -1.111 1.00 1.00 H new ATOM 297 N THR A 22 53.853 8.492 -7.075 1.00 1.00 N ATOM 298 CA THR A 22 53.653 9.848 -7.572 1.00 1.00 C ATOM 299 C THR A 22 52.536 9.880 -8.611 1.00 1.00 C ATOM 300 O THR A 22 51.753 10.828 -8.666 1.00 1.00 O ATOM 301 CB THR A 22 54.948 10.372 -8.197 1.00 1.00 C ATOM 302 OG1 THR A 22 54.699 11.626 -8.818 1.00 1.00 O ATOM 303 CG2 THR A 22 55.453 9.375 -9.241 1.00 1.00 C ATOM 0 H THR A 22 53.292 7.780 -7.543 1.00 1.00 H new ATOM 0 HA THR A 22 53.371 10.484 -6.733 1.00 1.00 H new ATOM 0 HB THR A 22 55.703 10.494 -7.420 1.00 1.00 H new ATOM 0 HG1 THR A 22 55.528 11.964 -9.217 1.00 1.00 H new ATOM 0 HG21 THR A 22 56.375 9.749 -9.685 1.00 1.00 H new ATOM 0 HG22 THR A 22 55.644 8.414 -8.764 1.00 1.00 H new ATOM 0 HG23 THR A 22 54.700 9.250 -10.019 1.00 1.00 H new ATOM 311 N ASP A 23 52.468 8.838 -9.433 1.00 1.00 N ATOM 312 CA ASP A 23 51.443 8.757 -10.467 1.00 1.00 C ATOM 313 C ASP A 23 50.098 8.370 -9.861 1.00 1.00 C ATOM 314 O ASP A 23 49.533 7.329 -10.196 1.00 1.00 O ATOM 315 CB ASP A 23 51.846 7.726 -11.523 1.00 1.00 C ATOM 316 CG ASP A 23 53.128 8.167 -12.220 1.00 1.00 C ATOM 317 OD1 ASP A 23 53.058 9.082 -13.024 1.00 1.00 O ATOM 318 OD2 ASP A 23 54.163 7.584 -11.938 1.00 1.00 O ATOM 0 H ASP A 23 53.106 8.043 -9.404 1.00 1.00 H new ATOM 0 HA ASP A 23 51.348 9.737 -10.935 1.00 1.00 H new ATOM 0 HB2 ASP A 23 51.993 6.753 -11.055 1.00 1.00 H new ATOM 0 HB3 ASP A 23 51.046 7.611 -12.254 1.00 1.00 H new ATOM 323 N TRP A 24 49.591 9.216 -8.970 1.00 1.00 N ATOM 324 CA TRP A 24 48.309 8.953 -8.322 1.00 1.00 C ATOM 325 C TRP A 24 47.888 10.138 -7.457 1.00 1.00 C ATOM 326 O TRP A 24 46.697 10.381 -7.266 1.00 1.00 O ATOM 327 CB TRP A 24 48.406 7.697 -7.455 1.00 1.00 C ATOM 328 CG TRP A 24 49.497 7.868 -6.448 1.00 1.00 C ATOM 329 CD1 TRP A 24 50.767 7.426 -6.596 1.00 1.00 C ATOM 330 CD2 TRP A 24 49.439 8.515 -5.144 1.00 1.00 C ATOM 331 NE1 TRP A 24 51.492 7.762 -5.466 1.00 1.00 N ATOM 332 CE2 TRP A 24 50.717 8.434 -4.543 1.00 1.00 C ATOM 333 CE3 TRP A 24 48.411 9.159 -4.431 1.00 1.00 C ATOM 334 CZ2 TRP A 24 50.967 8.972 -3.279 1.00 1.00 C ATOM 335 CZ3 TRP A 24 48.658 9.701 -3.160 1.00 1.00 C ATOM 336 CH2 TRP A 24 49.934 9.608 -2.586 1.00 1.00 C ATOM 0 H TRP A 24 50.043 10.083 -8.681 1.00 1.00 H new ATOM 0 HA TRP A 24 47.560 8.801 -9.099 1.00 1.00 H new ATOM 0 HB2 TRP A 24 47.457 7.516 -6.951 1.00 1.00 H new ATOM 0 HB3 TRP A 24 48.606 6.826 -8.079 1.00 1.00 H new ATOM 0 HD1 TRP A 24 51.152 6.897 -7.455 1.00 1.00 H new ATOM 0 HE1 TRP A 24 52.478 7.540 -5.332 1.00 1.00 H new ATOM 0 HE3 TRP A 24 47.425 9.237 -4.865 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 51.951 8.897 -2.841 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 47.861 10.192 -2.621 1.00 1.00 H new ATOM 0 HH2 TRP A 24 50.118 10.028 -1.608 1.00 1.00 H new ATOM 347 N LYS A 25 48.872 10.868 -6.935 1.00 1.00 N ATOM 348 CA LYS A 25 48.593 12.026 -6.090 1.00 1.00 C ATOM 349 C LYS A 25 47.400 12.812 -6.625 1.00 1.00 C ATOM 350 O LYS A 25 47.556 13.704 -7.457 1.00 1.00 O ATOM 351 CB LYS A 25 49.821 12.936 -6.032 1.00 1.00 C ATOM 352 CG LYS A 25 51.037 12.127 -5.578 1.00 1.00 C ATOM 353 CD LYS A 25 51.574 12.701 -4.266 1.00 1.00 C ATOM 354 CE LYS A 25 52.846 11.952 -3.864 1.00 1.00 C ATOM 355 NZ LYS A 25 53.258 12.377 -2.496 1.00 1.00 N ATOM 0 H LYS A 25 49.864 10.679 -7.081 1.00 1.00 H new ATOM 0 HA LYS A 25 48.355 11.669 -5.088 1.00 1.00 H new ATOM 0 HB2 LYS A 25 50.008 13.374 -7.012 1.00 1.00 H new ATOM 0 HB3 LYS A 25 49.643 13.761 -5.343 1.00 1.00 H new ATOM 0 HG2 LYS A 25 50.761 11.081 -5.443 1.00 1.00 H new ATOM 0 HG3 LYS A 25 51.812 12.156 -6.344 1.00 1.00 H new ATOM 0 HD2 LYS A 25 51.786 13.764 -4.382 1.00 1.00 H new ATOM 0 HD3 LYS A 25 50.822 12.610 -3.482 1.00 1.00 H new ATOM 0 HE2 LYS A 25 52.670 10.876 -3.885 1.00 1.00 H new ATOM 0 HE3 LYS A 25 53.644 12.159 -4.577 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 54.123 11.869 -2.220 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 53.441 13.401 -2.491 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 52.498 12.158 -1.821 1.00 1.00 H new ATOM 369 N SER A 26 46.211 12.471 -6.141 1.00 1.00 N ATOM 370 CA SER A 26 44.996 13.149 -6.575 1.00 1.00 C ATOM 371 C SER A 26 44.543 12.616 -7.930 1.00 1.00 C ATOM 372 O SER A 26 45.079 13.000 -8.970 1.00 1.00 O ATOM 373 CB SER A 26 45.241 14.655 -6.670 1.00 1.00 C ATOM 374 OG SER A 26 46.274 15.020 -5.764 1.00 1.00 O ATOM 0 H SER A 26 46.063 11.734 -5.452 1.00 1.00 H new ATOM 0 HA SER A 26 44.213 12.958 -5.841 1.00 1.00 H new ATOM 0 HB2 SER A 26 45.521 14.926 -7.688 1.00 1.00 H new ATOM 0 HB3 SER A 26 44.326 15.200 -6.436 1.00 1.00 H new ATOM 0 HG SER A 26 47.108 15.162 -6.259 1.00 1.00 H new ATOM 380 N SER A 27 43.554 11.730 -7.911 1.00 1.00 N ATOM 381 CA SER A 27 43.038 11.149 -9.145 1.00 1.00 C ATOM 382 C SER A 27 41.865 11.968 -9.673 1.00 1.00 C ATOM 383 O SER A 27 40.859 11.415 -10.119 1.00 1.00 O ATOM 384 CB SER A 27 42.586 9.710 -8.896 1.00 1.00 C ATOM 385 OG SER A 27 42.283 9.092 -10.140 1.00 1.00 O ATOM 0 H SER A 27 43.096 11.400 -7.061 1.00 1.00 H new ATOM 0 HA SER A 27 43.835 11.156 -9.888 1.00 1.00 H new ATOM 0 HB2 SER A 27 43.370 9.154 -8.382 1.00 1.00 H new ATOM 0 HB3 SER A 27 41.710 9.699 -8.248 1.00 1.00 H new ATOM 0 HG SER A 27 41.633 9.639 -10.627 1.00 1.00 H new ATOM 391 N GLY A 28 42.000 13.290 -9.622 1.00 1.00 N ATOM 392 CA GLY A 28 40.944 14.174 -10.098 1.00 1.00 C ATOM 393 C GLY A 28 41.009 15.528 -9.400 1.00 1.00 C ATOM 394 O GLY A 28 40.505 16.527 -9.912 1.00 1.00 O ATOM 0 H GLY A 28 42.824 13.769 -9.259 1.00 1.00 H new ATOM 0 HA2 GLY A 28 41.038 14.311 -11.175 1.00 1.00 H new ATOM 0 HA3 GLY A 28 39.972 13.715 -9.919 1.00 1.00 H new ATOM 398 N ALA A 29 41.634 15.553 -8.228 1.00 1.00 N ATOM 399 CA ALA A 29 41.760 16.791 -7.466 1.00 1.00 C ATOM 400 C ALA A 29 40.452 17.119 -6.754 1.00 1.00 C ATOM 401 O ALA A 29 40.018 18.270 -6.732 1.00 1.00 O ATOM 402 CB ALA A 29 42.138 17.942 -8.401 1.00 1.00 C ATOM 0 H ALA A 29 42.059 14.737 -7.787 1.00 1.00 H new ATOM 0 HA ALA A 29 42.542 16.658 -6.719 1.00 1.00 H new ATOM 0 HB1 ALA A 29 42.230 18.863 -7.825 1.00 1.00 H new ATOM 0 HB2 ALA A 29 43.089 17.720 -8.885 1.00 1.00 H new ATOM 0 HB3 ALA A 29 41.364 18.064 -9.159 1.00 1.00 H new ATOM 408 N LEU A 30 39.830 16.098 -6.173 1.00 1.00 N ATOM 409 CA LEU A 30 38.570 16.289 -5.461 1.00 1.00 C ATOM 410 C LEU A 30 38.572 15.510 -4.150 1.00 1.00 C ATOM 411 O LEU A 30 37.578 15.500 -3.423 1.00 1.00 O ATOM 412 CB LEU A 30 37.403 15.824 -6.333 1.00 1.00 C ATOM 413 CG LEU A 30 37.516 14.318 -6.580 1.00 1.00 C ATOM 414 CD1 LEU A 30 36.431 13.587 -5.787 1.00 1.00 C ATOM 415 CD2 LEU A 30 37.333 14.033 -8.073 1.00 1.00 C ATOM 0 H LEU A 30 40.174 15.138 -6.180 1.00 1.00 H new ATOM 0 HA LEU A 30 38.456 17.350 -5.239 1.00 1.00 H new ATOM 0 HB2 LEU A 30 36.456 16.053 -5.844 1.00 1.00 H new ATOM 0 HB3 LEU A 30 37.409 16.360 -7.282 1.00 1.00 H new ATOM 0 HG LEU A 30 38.498 13.970 -6.259 1.00 1.00 H new ATOM 0 HD11 LEU A 30 36.512 12.514 -5.963 1.00 1.00 H new ATOM 0 HD12 LEU A 30 36.558 13.791 -4.724 1.00 1.00 H new ATOM 0 HD13 LEU A 30 35.449 13.934 -6.108 1.00 1.00 H new ATOM 0 HD21 LEU A 30 37.413 12.961 -8.251 1.00 1.00 H new ATOM 0 HD22 LEU A 30 36.351 14.381 -8.392 1.00 1.00 H new ATOM 0 HD23 LEU A 30 38.105 14.554 -8.640 1.00 1.00 H new ATOM 427 N ILE A 31 39.693 14.862 -3.853 1.00 1.00 N ATOM 428 CA ILE A 31 39.812 14.085 -2.623 1.00 1.00 C ATOM 429 C ILE A 31 40.077 14.993 -1.419 1.00 1.00 C ATOM 430 O ILE A 31 39.540 14.761 -0.337 1.00 1.00 O ATOM 431 CB ILE A 31 40.937 13.054 -2.750 1.00 1.00 C ATOM 432 CG1 ILE A 31 41.224 12.788 -4.231 1.00 1.00 C ATOM 433 CG2 ILE A 31 40.511 11.748 -2.074 1.00 1.00 C ATOM 434 CD1 ILE A 31 42.002 11.479 -4.376 1.00 1.00 C ATOM 0 H ILE A 31 40.526 14.858 -4.441 1.00 1.00 H new ATOM 0 HA ILE A 31 38.866 13.567 -2.464 1.00 1.00 H new ATOM 0 HB ILE A 31 41.836 13.439 -2.268 1.00 1.00 H new ATOM 0 HG12 ILE A 31 40.289 12.731 -4.788 1.00 1.00 H new ATOM 0 HG13 ILE A 31 41.798 13.612 -4.654 1.00 1.00 H new ATOM 0 HG21 ILE A 31 41.311 11.014 -2.164 1.00 1.00 H new ATOM 0 HG22 ILE A 31 40.306 11.934 -1.020 1.00 1.00 H new ATOM 0 HG23 ILE A 31 39.612 11.365 -2.556 1.00 1.00 H new ATOM 0 HD11 ILE A 31 42.205 11.291 -5.430 1.00 1.00 H new ATOM 0 HD12 ILE A 31 42.944 11.553 -3.833 1.00 1.00 H new ATOM 0 HD13 ILE A 31 41.412 10.658 -3.969 1.00 1.00 H new ATOM 446 N PRO A 32 40.890 16.012 -1.578 1.00 1.00 N ATOM 447 CA PRO A 32 41.215 16.953 -0.465 1.00 1.00 C ATOM 448 C PRO A 32 39.968 17.648 0.077 1.00 1.00 C ATOM 449 O PRO A 32 40.034 18.379 1.066 1.00 1.00 O ATOM 450 CB PRO A 32 42.174 17.970 -1.097 1.00 1.00 C ATOM 451 CG PRO A 32 42.682 17.328 -2.346 1.00 1.00 C ATOM 452 CD PRO A 32 41.584 16.383 -2.821 1.00 1.00 C ATOM 0 HA PRO A 32 41.650 16.434 0.389 1.00 1.00 H new ATOM 0 HB2 PRO A 32 41.661 18.906 -1.319 1.00 1.00 H new ATOM 0 HB3 PRO A 32 42.993 18.209 -0.419 1.00 1.00 H new ATOM 0 HG2 PRO A 32 42.905 18.078 -3.105 1.00 1.00 H new ATOM 0 HG3 PRO A 32 43.607 16.784 -2.155 1.00 1.00 H new ATOM 0 HD2 PRO A 32 40.911 16.871 -3.526 1.00 1.00 H new ATOM 0 HD3 PRO A 32 41.997 15.510 -3.327 1.00 1.00 H new ATOM 460 N ALA A 33 38.836 17.414 -0.577 1.00 1.00 N ATOM 461 CA ALA A 33 37.580 18.023 -0.152 1.00 1.00 C ATOM 462 C ALA A 33 36.759 17.036 0.671 1.00 1.00 C ATOM 463 O ALA A 33 36.760 17.087 1.901 1.00 1.00 O ATOM 464 CB ALA A 33 36.775 18.465 -1.375 1.00 1.00 C ATOM 0 H ALA A 33 38.761 16.812 -1.397 1.00 1.00 H new ATOM 0 HA ALA A 33 37.808 18.892 0.465 1.00 1.00 H new ATOM 0 HB1 ALA A 33 35.839 18.919 -1.050 1.00 1.00 H new ATOM 0 HB2 ALA A 33 37.351 19.192 -1.947 1.00 1.00 H new ATOM 0 HB3 ALA A 33 36.560 17.599 -2.002 1.00 1.00 H new ATOM 470 N ILE A 34 36.059 16.139 -0.016 1.00 1.00 N ATOM 471 CA ILE A 34 35.236 15.144 0.663 1.00 1.00 C ATOM 472 C ILE A 34 35.966 14.584 1.879 1.00 1.00 C ATOM 473 O ILE A 34 35.344 14.238 2.883 1.00 1.00 O ATOM 474 CB ILE A 34 34.895 14.005 -0.299 1.00 1.00 C ATOM 475 CG1 ILE A 34 35.969 13.916 -1.385 1.00 1.00 C ATOM 476 CG2 ILE A 34 33.536 14.274 -0.948 1.00 1.00 C ATOM 477 CD1 ILE A 34 35.941 12.525 -2.020 1.00 1.00 C ATOM 0 H ILE A 34 36.045 16.080 -1.034 1.00 1.00 H new ATOM 0 HA ILE A 34 34.317 15.626 0.996 1.00 1.00 H new ATOM 0 HB ILE A 34 34.855 13.065 0.251 1.00 1.00 H new ATOM 0 HG12 ILE A 34 35.796 14.678 -2.145 1.00 1.00 H new ATOM 0 HG13 ILE A 34 36.952 14.111 -0.956 1.00 1.00 H new ATOM 0 HG21 ILE A 34 33.293 13.462 -1.634 1.00 1.00 H new ATOM 0 HG22 ILE A 34 32.770 14.338 -0.175 1.00 1.00 H new ATOM 0 HG23 ILE A 34 33.575 15.214 -1.498 1.00 1.00 H new ATOM 0 HD11 ILE A 34 36.706 12.463 -2.794 1.00 1.00 H new ATOM 0 HD12 ILE A 34 36.135 11.772 -1.256 1.00 1.00 H new ATOM 0 HD13 ILE A 34 34.961 12.347 -2.464 1.00 1.00 H new ATOM 489 N TYR A 35 37.288 14.497 1.781 1.00 1.00 N ATOM 490 CA TYR A 35 38.093 13.977 2.880 1.00 1.00 C ATOM 491 C TYR A 35 38.239 15.024 3.980 1.00 1.00 C ATOM 492 O TYR A 35 37.976 14.750 5.151 1.00 1.00 O ATOM 493 CB TYR A 35 39.479 13.576 2.369 1.00 1.00 C ATOM 494 CG TYR A 35 40.295 13.017 3.510 1.00 1.00 C ATOM 495 CD1 TYR A 35 41.083 13.871 4.290 1.00 1.00 C ATOM 496 CD2 TYR A 35 40.263 11.645 3.786 1.00 1.00 C ATOM 497 CE1 TYR A 35 41.840 13.352 5.348 1.00 1.00 C ATOM 498 CE2 TYR A 35 41.020 11.126 4.844 1.00 1.00 C ATOM 499 CZ TYR A 35 41.808 11.980 5.624 1.00 1.00 C ATOM 500 OH TYR A 35 42.554 11.469 6.667 1.00 1.00 O ATOM 0 H TYR A 35 37.822 14.778 0.958 1.00 1.00 H new ATOM 0 HA TYR A 35 37.590 13.102 3.291 1.00 1.00 H new ATOM 0 HB2 TYR A 35 39.385 12.833 1.577 1.00 1.00 H new ATOM 0 HB3 TYR A 35 39.983 14.441 1.937 1.00 1.00 H new ATOM 0 HD1 TYR A 35 41.107 14.929 4.076 1.00 1.00 H new ATOM 0 HD2 TYR A 35 39.655 10.987 3.183 1.00 1.00 H new ATOM 0 HE1 TYR A 35 42.448 14.010 5.951 1.00 1.00 H new ATOM 0 HE2 TYR A 35 40.996 10.068 5.058 1.00 1.00 H new ATOM 0 HH TYR A 35 42.418 10.500 6.723 1.00 1.00 H new ATOM 510 N MET A 36 38.658 16.225 3.595 1.00 1.00 N ATOM 511 CA MET A 36 38.835 17.307 4.557 1.00 1.00 C ATOM 512 C MET A 36 37.499 17.684 5.190 1.00 1.00 C ATOM 513 O MET A 36 37.456 18.222 6.296 1.00 1.00 O ATOM 514 CB MET A 36 39.437 18.529 3.863 1.00 1.00 C ATOM 515 CG MET A 36 39.654 19.643 4.888 1.00 1.00 C ATOM 516 SD MET A 36 40.813 20.863 4.220 1.00 1.00 S ATOM 517 CE MET A 36 39.604 21.833 3.285 1.00 1.00 C ATOM 0 H MET A 36 38.880 16.473 2.631 1.00 1.00 H new ATOM 0 HA MET A 36 39.512 16.965 5.340 1.00 1.00 H new ATOM 0 HB2 MET A 36 40.384 18.264 3.393 1.00 1.00 H new ATOM 0 HB3 MET A 36 38.773 18.874 3.070 1.00 1.00 H new ATOM 0 HG2 MET A 36 38.704 20.121 5.127 1.00 1.00 H new ATOM 0 HG3 MET A 36 40.044 19.226 5.817 1.00 1.00 H new ATOM 0 HE1 MET A 36 40.110 22.657 2.781 1.00 1.00 H new ATOM 0 HE2 MET A 36 39.121 21.196 2.544 1.00 1.00 H new ATOM 0 HE3 MET A 36 38.852 22.231 3.966 1.00 1.00 H new ATOM 527 N LEU A 37 36.413 17.399 4.481 1.00 1.00 N ATOM 528 CA LEU A 37 35.081 17.714 4.983 1.00 1.00 C ATOM 529 C LEU A 37 34.658 16.707 6.048 1.00 1.00 C ATOM 530 O LEU A 37 33.645 16.891 6.723 1.00 1.00 O ATOM 531 CB LEU A 37 34.070 17.699 3.834 1.00 1.00 C ATOM 532 CG LEU A 37 34.151 19.019 3.066 1.00 1.00 C ATOM 533 CD1 LEU A 37 33.730 18.792 1.613 1.00 1.00 C ATOM 534 CD2 LEU A 37 33.213 20.041 3.712 1.00 1.00 C ATOM 0 H LEU A 37 36.428 16.954 3.563 1.00 1.00 H new ATOM 0 HA LEU A 37 35.108 18.708 5.429 1.00 1.00 H new ATOM 0 HB2 LEU A 37 34.276 16.864 3.165 1.00 1.00 H new ATOM 0 HB3 LEU A 37 33.062 17.554 4.224 1.00 1.00 H new ATOM 0 HG LEU A 37 35.175 19.393 3.094 1.00 1.00 H new ATOM 0 HD11 LEU A 37 33.788 19.733 1.066 1.00 1.00 H new ATOM 0 HD12 LEU A 37 34.395 18.062 1.151 1.00 1.00 H new ATOM 0 HD13 LEU A 37 32.706 18.418 1.585 1.00 1.00 H new ATOM 0 HD21 LEU A 37 33.269 20.983 3.166 1.00 1.00 H new ATOM 0 HD22 LEU A 37 32.190 19.665 3.683 1.00 1.00 H new ATOM 0 HD23 LEU A 37 33.510 20.204 4.748 1.00 1.00 H new ATOM 546 N VAL A 38 35.439 15.642 6.192 1.00 1.00 N ATOM 547 CA VAL A 38 35.135 14.611 7.178 1.00 1.00 C ATOM 548 C VAL A 38 35.879 14.882 8.482 1.00 1.00 C ATOM 549 O VAL A 38 35.648 14.213 9.489 1.00 1.00 O ATOM 550 CB VAL A 38 35.533 13.237 6.637 1.00 1.00 C ATOM 551 CG1 VAL A 38 35.304 12.177 7.717 1.00 1.00 C ATOM 552 CG2 VAL A 38 34.678 12.907 5.411 1.00 1.00 C ATOM 0 H VAL A 38 36.281 15.470 5.643 1.00 1.00 H new ATOM 0 HA VAL A 38 34.063 14.627 7.374 1.00 1.00 H new ATOM 0 HB VAL A 38 36.586 13.248 6.356 1.00 1.00 H new ATOM 0 HG11 VAL A 38 35.588 11.198 7.332 1.00 1.00 H new ATOM 0 HG12 VAL A 38 35.910 12.412 8.592 1.00 1.00 H new ATOM 0 HG13 VAL A 38 34.251 12.165 7.998 1.00 1.00 H new ATOM 0 HG21 VAL A 38 34.960 11.928 5.024 1.00 1.00 H new ATOM 0 HG22 VAL A 38 33.625 12.896 5.694 1.00 1.00 H new ATOM 0 HG23 VAL A 38 34.839 13.662 4.641 1.00 1.00 H new ATOM 562 N PHE A 39 36.771 15.866 8.456 1.00 1.00 N ATOM 563 CA PHE A 39 37.543 16.215 9.642 1.00 1.00 C ATOM 564 C PHE A 39 36.630 16.773 10.728 1.00 1.00 C ATOM 565 O PHE A 39 36.872 16.577 11.919 1.00 1.00 O ATOM 566 CB PHE A 39 38.610 17.253 9.287 1.00 1.00 C ATOM 567 CG PHE A 39 38.956 18.060 10.515 1.00 1.00 C ATOM 568 CD1 PHE A 39 39.919 17.588 11.414 1.00 1.00 C ATOM 569 CD2 PHE A 39 38.313 19.281 10.755 1.00 1.00 C ATOM 570 CE1 PHE A 39 40.240 18.336 12.553 1.00 1.00 C ATOM 571 CE2 PHE A 39 38.633 20.029 11.894 1.00 1.00 C ATOM 572 CZ PHE A 39 39.597 19.556 12.792 1.00 1.00 C ATOM 0 H PHE A 39 36.976 16.432 7.633 1.00 1.00 H new ATOM 0 HA PHE A 39 38.027 15.313 10.016 1.00 1.00 H new ATOM 0 HB2 PHE A 39 39.501 16.757 8.902 1.00 1.00 H new ATOM 0 HB3 PHE A 39 38.245 17.910 8.498 1.00 1.00 H new ATOM 0 HD1 PHE A 39 40.415 16.646 11.229 1.00 1.00 H new ATOM 0 HD2 PHE A 39 37.570 19.645 10.061 1.00 1.00 H new ATOM 0 HE1 PHE A 39 40.983 17.972 13.247 1.00 1.00 H new ATOM 0 HE2 PHE A 39 38.137 20.970 12.080 1.00 1.00 H new ATOM 0 HZ PHE A 39 39.845 20.133 13.670 1.00 1.00 H new ATOM 582 N LEU A 40 35.579 17.472 10.309 1.00 1.00 N ATOM 583 CA LEU A 40 34.634 18.055 11.253 1.00 1.00 C ATOM 584 C LEU A 40 33.364 17.213 11.330 1.00 1.00 C ATOM 585 O LEU A 40 32.478 17.482 12.141 1.00 1.00 O ATOM 586 CB LEU A 40 34.280 19.480 10.824 1.00 1.00 C ATOM 587 CG LEU A 40 33.792 19.471 9.375 1.00 1.00 C ATOM 588 CD1 LEU A 40 32.459 20.214 9.279 1.00 1.00 C ATOM 589 CD2 LEU A 40 34.826 20.165 8.486 1.00 1.00 C ATOM 0 H LEU A 40 35.362 17.647 9.328 1.00 1.00 H new ATOM 0 HA LEU A 40 35.100 18.078 12.238 1.00 1.00 H new ATOM 0 HB2 LEU A 40 33.507 19.886 11.477 1.00 1.00 H new ATOM 0 HB3 LEU A 40 35.152 20.127 10.921 1.00 1.00 H new ATOM 0 HG LEU A 40 33.658 18.441 9.044 1.00 1.00 H new ATOM 0 HD11 LEU A 40 32.112 20.207 8.246 1.00 1.00 H new ATOM 0 HD12 LEU A 40 31.721 19.722 9.913 1.00 1.00 H new ATOM 0 HD13 LEU A 40 32.592 21.244 9.610 1.00 1.00 H new ATOM 0 HD21 LEU A 40 34.480 20.159 7.453 1.00 1.00 H new ATOM 0 HD22 LEU A 40 34.959 21.194 8.818 1.00 1.00 H new ATOM 0 HD23 LEU A 40 35.777 19.636 8.553 1.00 1.00 H new ATOM 601 N LEU A 41 33.284 16.194 10.479 1.00 1.00 N ATOM 602 CA LEU A 41 32.118 15.318 10.456 1.00 1.00 C ATOM 603 C LEU A 41 32.549 13.857 10.373 1.00 1.00 C ATOM 604 O LEU A 41 32.362 13.202 9.347 1.00 1.00 O ATOM 605 CB LEU A 41 31.232 15.658 9.257 1.00 1.00 C ATOM 606 CG LEU A 41 30.475 16.958 9.533 1.00 1.00 C ATOM 607 CD1 LEU A 41 30.466 17.823 8.271 1.00 1.00 C ATOM 608 CD2 LEU A 41 29.035 16.632 9.935 1.00 1.00 C ATOM 0 H LEU A 41 34.008 15.956 9.801 1.00 1.00 H new ATOM 0 HA LEU A 41 31.555 15.469 11.377 1.00 1.00 H new ATOM 0 HB2 LEU A 41 31.841 15.763 8.359 1.00 1.00 H new ATOM 0 HB3 LEU A 41 30.528 14.847 9.071 1.00 1.00 H new ATOM 0 HG LEU A 41 30.967 17.500 10.341 1.00 1.00 H new ATOM 0 HD11 LEU A 41 29.926 18.749 8.469 1.00 1.00 H new ATOM 0 HD12 LEU A 41 31.491 18.055 7.982 1.00 1.00 H new ATOM 0 HD13 LEU A 41 29.974 17.282 7.463 1.00 1.00 H new ATOM 0 HD21 LEU A 41 28.494 17.557 10.132 1.00 1.00 H new ATOM 0 HD22 LEU A 41 28.545 16.091 9.126 1.00 1.00 H new ATOM 0 HD23 LEU A 41 29.039 16.015 10.834 1.00 1.00 H new ATOM 620 N GLY A 42 33.125 13.351 11.459 1.00 1.00 N ATOM 621 CA GLY A 42 33.577 11.965 11.496 1.00 1.00 C ATOM 622 C GLY A 42 34.599 11.756 12.608 1.00 1.00 C ATOM 623 O GLY A 42 34.838 10.629 13.039 1.00 1.00 O ATOM 0 H GLY A 42 33.289 13.875 12.319 1.00 1.00 H new ATOM 0 HA2 GLY A 42 32.724 11.304 11.651 1.00 1.00 H new ATOM 0 HA3 GLY A 42 34.018 11.696 10.536 1.00 1.00 H new ATOM 627 N THR A 43 35.197 12.854 13.066 1.00 1.00 N ATOM 628 CA THR A 43 36.193 12.791 14.128 1.00 1.00 C ATOM 629 C THR A 43 35.808 13.722 15.275 1.00 1.00 C ATOM 630 O THR A 43 36.004 13.396 16.445 1.00 1.00 O ATOM 631 CB THR A 43 37.564 13.191 13.579 1.00 1.00 C ATOM 632 OG1 THR A 43 38.167 12.068 12.952 1.00 1.00 O ATOM 633 CG2 THR A 43 38.456 13.678 14.722 1.00 1.00 C ATOM 0 H THR A 43 35.008 13.794 12.718 1.00 1.00 H new ATOM 0 HA THR A 43 36.237 11.769 14.504 1.00 1.00 H new ATOM 0 HB THR A 43 37.442 13.994 12.852 1.00 1.00 H new ATOM 0 HG1 THR A 43 39.045 12.323 12.598 1.00 1.00 H new ATOM 0 HG21 THR A 43 39.431 13.962 14.327 1.00 1.00 H new ATOM 0 HG22 THR A 43 37.994 14.541 15.202 1.00 1.00 H new ATOM 0 HG23 THR A 43 38.579 12.879 15.453 1.00 1.00 H new ATOM 641 N THR A 44 35.256 14.881 14.929 1.00 1.00 N ATOM 642 CA THR A 44 34.846 15.850 15.938 1.00 1.00 C ATOM 643 C THR A 44 33.987 15.180 17.004 1.00 1.00 C ATOM 644 O THR A 44 33.705 15.769 18.047 1.00 1.00 O ATOM 645 CB THR A 44 34.059 16.988 15.281 1.00 1.00 C ATOM 646 OG1 THR A 44 34.208 18.172 16.053 1.00 1.00 O ATOM 647 CG2 THR A 44 32.577 16.615 15.196 1.00 1.00 C ATOM 0 H THR A 44 35.084 15.170 13.966 1.00 1.00 H new ATOM 0 HA THR A 44 35.740 16.256 16.412 1.00 1.00 H new ATOM 0 HB THR A 44 34.443 17.157 14.275 1.00 1.00 H new ATOM 0 HG1 THR A 44 33.706 18.902 15.633 1.00 1.00 H new ATOM 0 HG21 THR A 44 32.023 17.429 14.728 1.00 1.00 H new ATOM 0 HG22 THR A 44 32.463 15.709 14.601 1.00 1.00 H new ATOM 0 HG23 THR A 44 32.187 16.441 16.199 1.00 1.00 H new ATOM 655 N GLY A 45 33.572 13.946 16.729 1.00 1.00 N ATOM 656 CA GLY A 45 32.744 13.199 17.668 1.00 1.00 C ATOM 657 C GLY A 45 33.194 13.436 19.104 1.00 1.00 C ATOM 658 O GLY A 45 32.775 14.400 19.744 1.00 1.00 O ATOM 0 H GLY A 45 33.795 13.446 15.868 1.00 1.00 H new ATOM 0 HA2 GLY A 45 31.702 13.498 17.556 1.00 1.00 H new ATOM 0 HA3 GLY A 45 32.797 12.135 17.438 1.00 1.00 H new ATOM 662 N ASN A 46 34.050 12.553 19.606 1.00 1.00 N ATOM 663 CA ASN A 46 34.550 12.681 20.967 1.00 1.00 C ATOM 664 C ASN A 46 35.880 11.948 21.120 1.00 1.00 C ATOM 665 O ASN A 46 36.732 11.999 20.233 1.00 1.00 O ATOM 666 CB ASN A 46 33.524 12.112 21.949 1.00 1.00 C ATOM 667 CG ASN A 46 33.679 12.785 23.308 1.00 1.00 C ATOM 668 OD1 ASN A 46 33.888 12.111 24.317 1.00 1.00 O ATOM 669 ND2 ASN A 46 33.590 14.084 23.395 1.00 1.00 N ATOM 0 H ASN A 46 34.409 11.747 19.094 1.00 1.00 H new ATOM 0 HA ASN A 46 34.710 13.737 21.184 1.00 1.00 H new ATOM 0 HB2 ASN A 46 32.515 12.271 21.568 1.00 1.00 H new ATOM 0 HB3 ASN A 46 33.661 11.035 22.049 1.00 1.00 H new ATOM 0 HD21 ASN A 46 33.694 14.543 24.300 1.00 1.00 H new ATOM 0 HD22 ASN A 46 33.417 14.641 22.558 1.00 1.00 H new ATOM 676 N GLY A 47 36.051 11.270 22.249 1.00 1.00 N ATOM 677 CA GLY A 47 37.282 10.531 22.507 1.00 1.00 C ATOM 678 C GLY A 47 38.463 11.481 22.673 1.00 1.00 C ATOM 679 O GLY A 47 39.565 11.061 23.024 1.00 1.00 O ATOM 0 H GLY A 47 35.358 11.216 22.996 1.00 1.00 H new ATOM 0 HA2 GLY A 47 37.167 9.927 23.407 1.00 1.00 H new ATOM 0 HA3 GLY A 47 37.477 9.843 21.685 1.00 1.00 H new ATOM 683 N LEU A 48 38.224 12.764 22.418 1.00 1.00 N ATOM 684 CA LEU A 48 39.277 13.766 22.542 1.00 1.00 C ATOM 685 C LEU A 48 39.297 14.350 23.951 1.00 1.00 C ATOM 686 O LEU A 48 40.133 15.194 24.272 1.00 1.00 O ATOM 687 CB LEU A 48 39.052 14.887 21.526 1.00 1.00 C ATOM 688 CG LEU A 48 39.679 14.498 20.187 1.00 1.00 C ATOM 689 CD1 LEU A 48 38.897 15.152 19.046 1.00 1.00 C ATOM 690 CD2 LEU A 48 41.132 14.976 20.146 1.00 1.00 C ATOM 0 H LEU A 48 37.318 13.132 22.127 1.00 1.00 H new ATOM 0 HA LEU A 48 40.236 13.286 22.347 1.00 1.00 H new ATOM 0 HB2 LEU A 48 37.985 15.069 21.400 1.00 1.00 H new ATOM 0 HB3 LEU A 48 39.493 15.815 21.890 1.00 1.00 H new ATOM 0 HG LEU A 48 39.648 13.414 20.074 1.00 1.00 H new ATOM 0 HD11 LEU A 48 39.345 14.874 18.092 1.00 1.00 H new ATOM 0 HD12 LEU A 48 37.861 14.813 19.073 1.00 1.00 H new ATOM 0 HD13 LEU A 48 38.927 16.236 19.159 1.00 1.00 H new ATOM 0 HD21 LEU A 48 41.579 14.699 19.191 1.00 1.00 H new ATOM 0 HD22 LEU A 48 41.162 16.060 20.260 1.00 1.00 H new ATOM 0 HD23 LEU A 48 41.691 14.510 20.958 1.00 1.00 H new ATOM 702 N VAL A 49 38.369 13.896 24.788 1.00 1.00 N ATOM 703 CA VAL A 49 38.290 14.382 26.161 1.00 1.00 C ATOM 704 C VAL A 49 38.949 13.394 27.118 1.00 1.00 C ATOM 705 O VAL A 49 39.031 13.642 28.321 1.00 1.00 O ATOM 706 CB VAL A 49 36.828 14.583 26.560 1.00 1.00 C ATOM 707 CG1 VAL A 49 36.746 14.939 28.045 1.00 1.00 C ATOM 708 CG2 VAL A 49 36.226 15.720 25.731 1.00 1.00 C ATOM 0 H VAL A 49 37.667 13.198 24.542 1.00 1.00 H new ATOM 0 HA VAL A 49 38.817 15.334 26.220 1.00 1.00 H new ATOM 0 HB VAL A 49 36.273 13.663 26.376 1.00 1.00 H new ATOM 0 HG11 VAL A 49 35.703 15.082 28.328 1.00 1.00 H new ATOM 0 HG12 VAL A 49 37.175 14.131 28.637 1.00 1.00 H new ATOM 0 HG13 VAL A 49 37.301 15.858 28.230 1.00 1.00 H new ATOM 0 HG21 VAL A 49 35.183 15.864 26.014 1.00 1.00 H new ATOM 0 HG22 VAL A 49 36.783 16.639 25.915 1.00 1.00 H new ATOM 0 HG23 VAL A 49 36.282 15.468 24.672 1.00 1.00 H new ATOM 718 N LEU A 50 39.419 12.276 26.576 1.00 1.00 N ATOM 719 CA LEU A 50 40.070 11.257 27.392 1.00 1.00 C ATOM 720 C LEU A 50 41.312 10.717 26.689 1.00 1.00 C ATOM 721 O LEU A 50 41.970 9.804 27.187 1.00 1.00 O ATOM 722 CB LEU A 50 39.098 10.108 27.669 1.00 1.00 C ATOM 723 CG LEU A 50 38.263 9.834 26.416 1.00 1.00 C ATOM 724 CD1 LEU A 50 38.006 8.331 26.294 1.00 1.00 C ATOM 725 CD2 LEU A 50 36.927 10.572 26.524 1.00 1.00 C ATOM 0 H LEU A 50 39.362 12.053 25.582 1.00 1.00 H new ATOM 0 HA LEU A 50 40.371 11.714 28.335 1.00 1.00 H new ATOM 0 HB2 LEU A 50 39.649 9.212 27.955 1.00 1.00 H new ATOM 0 HB3 LEU A 50 38.446 10.362 28.505 1.00 1.00 H new ATOM 0 HG LEU A 50 38.802 10.183 25.535 1.00 1.00 H new ATOM 0 HD11 LEU A 50 37.411 8.135 25.402 1.00 1.00 H new ATOM 0 HD12 LEU A 50 38.957 7.804 26.219 1.00 1.00 H new ATOM 0 HD13 LEU A 50 37.466 7.982 27.174 1.00 1.00 H new ATOM 0 HD21 LEU A 50 36.331 10.378 25.632 1.00 1.00 H new ATOM 0 HD22 LEU A 50 36.388 10.222 27.404 1.00 1.00 H new ATOM 0 HD23 LEU A 50 37.109 11.643 26.613 1.00 1.00 H new ATOM 737 N TRP A 51 41.626 11.287 25.531 1.00 1.00 N ATOM 738 CA TRP A 51 42.791 10.855 24.768 1.00 1.00 C ATOM 739 C TRP A 51 43.946 11.833 24.959 1.00 1.00 C ATOM 740 O TRP A 51 44.865 11.580 25.737 1.00 1.00 O ATOM 741 CB TRP A 51 42.439 10.760 23.282 1.00 1.00 C ATOM 742 CG TRP A 51 43.694 10.715 22.472 1.00 1.00 C ATOM 743 CD1 TRP A 51 44.838 10.098 22.844 1.00 1.00 C ATOM 744 CD2 TRP A 51 43.951 11.299 21.162 1.00 1.00 C ATOM 745 NE1 TRP A 51 45.782 10.265 21.847 1.00 1.00 N ATOM 746 CE2 TRP A 51 45.283 10.998 20.789 1.00 1.00 C ATOM 747 CE3 TRP A 51 43.168 12.053 20.270 1.00 1.00 C ATOM 748 CZ2 TRP A 51 45.818 11.430 19.574 1.00 1.00 C ATOM 749 CZ3 TRP A 51 43.702 12.489 19.047 1.00 1.00 C ATOM 750 CH2 TRP A 51 45.025 12.178 18.700 1.00 1.00 C ATOM 0 H TRP A 51 41.094 12.044 25.102 1.00 1.00 H new ATOM 0 HA TRP A 51 43.096 9.873 25.130 1.00 1.00 H new ATOM 0 HB2 TRP A 51 41.842 9.868 23.096 1.00 1.00 H new ATOM 0 HB3 TRP A 51 41.833 11.617 22.986 1.00 1.00 H new ATOM 0 HD1 TRP A 51 44.990 9.562 23.769 1.00 1.00 H new ATOM 0 HE1 TRP A 51 46.731 9.892 21.888 1.00 1.00 H new ATOM 0 HE3 TRP A 51 42.148 12.299 20.528 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 46.837 11.188 19.312 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 43.091 13.067 18.370 1.00 1.00 H new ATOM 0 HH2 TRP A 51 45.430 12.516 17.758 1.00 1.00 H new ATOM 761 N THR A 52 43.892 12.951 24.242 1.00 1.00 N ATOM 762 CA THR A 52 44.939 13.960 24.340 1.00 1.00 C ATOM 763 C THR A 52 44.917 14.621 25.714 1.00 1.00 C ATOM 764 O THR A 52 45.962 14.981 26.259 1.00 1.00 O ATOM 765 CB THR A 52 44.742 15.024 23.258 1.00 1.00 C ATOM 766 OG1 THR A 52 45.714 16.048 23.420 1.00 1.00 O ATOM 767 CG2 THR A 52 43.341 15.623 23.377 1.00 1.00 C ATOM 0 H THR A 52 43.140 13.180 23.592 1.00 1.00 H new ATOM 0 HA THR A 52 45.903 13.472 24.198 1.00 1.00 H new ATOM 0 HB THR A 52 44.856 14.568 22.275 1.00 1.00 H new ATOM 0 HG1 THR A 52 45.590 16.729 22.727 1.00 1.00 H new ATOM 0 HG21 THR A 52 43.202 16.381 22.606 1.00 1.00 H new ATOM 0 HG22 THR A 52 42.597 14.836 23.251 1.00 1.00 H new ATOM 0 HG23 THR A 52 43.223 16.080 24.360 1.00 1.00 H new ATOM 775 N VAL A 53 43.720 14.777 26.271 1.00 1.00 N ATOM 776 CA VAL A 53 43.574 15.395 27.583 1.00 1.00 C ATOM 777 C VAL A 53 44.119 14.477 28.673 1.00 1.00 C ATOM 778 O VAL A 53 44.644 14.943 29.685 1.00 1.00 O ATOM 779 CB VAL A 53 42.100 15.696 27.858 1.00 1.00 C ATOM 780 CG1 VAL A 53 41.941 16.200 29.294 1.00 1.00 C ATOM 781 CG2 VAL A 53 41.610 16.770 26.884 1.00 1.00 C ATOM 0 H VAL A 53 42.844 14.486 25.838 1.00 1.00 H new ATOM 0 HA VAL A 53 44.142 16.325 27.590 1.00 1.00 H new ATOM 0 HB VAL A 53 41.512 14.788 27.725 1.00 1.00 H new ATOM 0 HG11 VAL A 53 40.890 16.415 29.490 1.00 1.00 H new ATOM 0 HG12 VAL A 53 42.291 15.436 29.988 1.00 1.00 H new ATOM 0 HG13 VAL A 53 42.528 17.109 29.428 1.00 1.00 H new ATOM 0 HG21 VAL A 53 40.559 16.986 27.079 1.00 1.00 H new ATOM 0 HG22 VAL A 53 42.198 17.678 27.018 1.00 1.00 H new ATOM 0 HG23 VAL A 53 41.723 16.412 25.861 1.00 1.00 H new ATOM 791 N PHE A 54 43.994 13.172 28.457 1.00 1.00 N ATOM 792 CA PHE A 54 44.478 12.198 29.428 1.00 1.00 C ATOM 793 C PHE A 54 46.000 12.103 29.377 1.00 1.00 C ATOM 794 O PHE A 54 46.584 11.103 29.795 1.00 1.00 O ATOM 795 CB PHE A 54 43.869 10.825 29.139 1.00 1.00 C ATOM 796 CG PHE A 54 44.271 9.856 30.225 1.00 1.00 C ATOM 797 CD1 PHE A 54 43.692 9.951 31.497 1.00 1.00 C ATOM 798 CD2 PHE A 54 45.222 8.864 29.961 1.00 1.00 C ATOM 799 CE1 PHE A 54 44.065 9.053 32.504 1.00 1.00 C ATOM 800 CE2 PHE A 54 45.595 7.966 30.969 1.00 1.00 C ATOM 801 CZ PHE A 54 45.016 8.060 32.240 1.00 1.00 C ATOM 0 H PHE A 54 43.565 12.767 27.625 1.00 1.00 H new ATOM 0 HA PHE A 54 44.178 12.525 30.424 1.00 1.00 H new ATOM 0 HB2 PHE A 54 42.783 10.901 29.089 1.00 1.00 H new ATOM 0 HB3 PHE A 54 44.209 10.462 28.169 1.00 1.00 H new ATOM 0 HD1 PHE A 54 42.958 10.717 31.701 1.00 1.00 H new ATOM 0 HD2 PHE A 54 45.668 8.791 28.980 1.00 1.00 H new ATOM 0 HE1 PHE A 54 43.619 9.126 33.485 1.00 1.00 H new ATOM 0 HE2 PHE A 54 46.330 7.201 30.766 1.00 1.00 H new ATOM 0 HZ PHE A 54 45.303 7.367 33.017 1.00 1.00 H new ATOM 811 N ARG A 55 46.636 13.150 28.862 1.00 1.00 N ATOM 812 CA ARG A 55 48.090 13.175 28.761 1.00 1.00 C ATOM 813 C ARG A 55 48.591 14.603 28.577 1.00 1.00 C ATOM 814 O ARG A 55 49.790 14.867 28.661 1.00 1.00 O ATOM 815 CB ARG A 55 48.546 12.315 27.579 1.00 1.00 C ATOM 816 CG ARG A 55 47.824 12.768 26.309 1.00 1.00 C ATOM 817 CD ARG A 55 48.150 11.806 25.165 1.00 1.00 C ATOM 818 NE ARG A 55 48.708 12.538 24.034 1.00 1.00 N ATOM 819 CZ ARG A 55 49.411 11.915 23.093 1.00 1.00 C ATOM 820 NH1 ARG A 55 49.612 10.629 23.172 1.00 1.00 N ATOM 821 NH2 ARG A 55 49.901 12.592 22.090 1.00 1.00 N ATOM 0 H ARG A 55 46.171 13.987 28.510 1.00 1.00 H new ATOM 0 HA ARG A 55 48.506 12.773 29.685 1.00 1.00 H new ATOM 0 HB2 ARG A 55 49.625 12.402 27.447 1.00 1.00 H new ATOM 0 HB3 ARG A 55 48.332 11.264 27.776 1.00 1.00 H new ATOM 0 HG2 ARG A 55 46.748 12.795 26.480 1.00 1.00 H new ATOM 0 HG3 ARG A 55 48.130 13.780 26.045 1.00 1.00 H new ATOM 0 HD2 ARG A 55 48.860 11.052 25.505 1.00 1.00 H new ATOM 0 HD3 ARG A 55 47.248 11.278 24.856 1.00 1.00 H new ATOM 0 HE ARG A 55 48.557 13.544 23.964 1.00 1.00 H new ATOM 0 HH11 ARG A 55 49.230 10.100 23.956 1.00 1.00 H new ATOM 0 HH12 ARG A 55 50.151 10.152 22.450 1.00 1.00 H new ATOM 0 HH21 ARG A 55 49.744 13.598 22.029 1.00 1.00 H new ATOM 0 HH22 ARG A 55 50.440 12.115 21.368 1.00 1.00 H new ATOM 835 N LYS A 56 47.664 15.522 28.328 1.00 1.00 N ATOM 836 CA LYS A 56 48.021 16.922 28.135 1.00 1.00 C ATOM 837 C LYS A 56 48.643 17.496 29.404 1.00 1.00 C ATOM 838 O LYS A 56 49.552 18.324 29.341 1.00 1.00 O ATOM 839 CB LYS A 56 46.777 17.730 27.764 1.00 1.00 C ATOM 840 CG LYS A 56 47.198 19.100 27.233 1.00 1.00 C ATOM 841 CD LYS A 56 47.257 19.060 25.704 1.00 1.00 C ATOM 842 CE LYS A 56 47.727 20.416 25.175 1.00 1.00 C ATOM 843 NZ LYS A 56 49.105 20.283 24.625 1.00 1.00 N ATOM 0 H LYS A 56 46.666 15.324 28.255 1.00 1.00 H new ATOM 0 HA LYS A 56 48.750 16.984 27.327 1.00 1.00 H new ATOM 0 HB2 LYS A 56 46.197 17.198 27.010 1.00 1.00 H new ATOM 0 HB3 LYS A 56 46.134 17.848 28.636 1.00 1.00 H new ATOM 0 HG2 LYS A 56 46.490 19.862 27.560 1.00 1.00 H new ATOM 0 HG3 LYS A 56 48.172 19.375 27.638 1.00 1.00 H new ATOM 0 HD2 LYS A 56 47.938 18.274 25.376 1.00 1.00 H new ATOM 0 HD3 LYS A 56 46.274 18.820 25.298 1.00 1.00 H new ATOM 0 HE2 LYS A 56 47.047 20.772 24.401 1.00 1.00 H new ATOM 0 HE3 LYS A 56 47.713 21.156 25.976 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 49.426 21.205 24.265 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 49.749 19.962 25.376 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 49.104 19.590 23.850 1.00 1.00 H new