USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 649 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 59 SER OG : rot 180:sc= 0.442 USER MOD Set 1.2: A 95 THR OG1 : rot -9:sc= 0.314 USER MOD Set 1.3: A 97 THR OG1 : rot -86:sc= 0.481 USER MOD Set 2.1: A 18 ASN : amide:sc= 0 K(o=-5.2,f=-2.7) USER MOD Set 2.2: A 51 GLN : amide:sc= -2.31! C(o=-5.2!,f=-2.7!) USER MOD Set 2.3: A 53 CYS SG : rot -150:sc= -2.87! USER MOD Set 3.1: A 16 ASN : amide:sc= -3.42 X(o=-3.2,f=-2.7!) USER MOD Set 3.2: A 58 THR OG1 : rot 69:sc= 0.034 USER MOD Set 3.3: A 79 TYR OH : rot -164:sc= 0.204 USER MOD Single : A 13 GLN : amide:sc= -1.26! K(o=-1.3!,f=-0.21) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 17 ASN : amide:sc= -1.54 X(o=-1.5,f=-1.9!) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.42 USER MOD Single : A 27 TYR OH : rot 120:sc= -0.143 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -137:sc= 0.757 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -24:sc= 0.283 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 91:sc= 0.62 USER MOD Single : A 38 GLN : amide:sc= -0.317 X(o=-0.32,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 45 LYS NZ :NH3+ 166:sc= 0.254 (180deg=0.053) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0115) USER MOD Single : A 54 LYS NZ :NH3+ 171:sc=-0.00979 (180deg=-0.099) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 53:sc= 0.681 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.401 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -160:sc= -1.28 (180deg=-2.17!) USER MOD Single : A 70 LYS NZ :NH3+ -164:sc= 0.879 (180deg=0.691) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.852 K(o=-0.85,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 170 N ASP A 11 -14.132 0.736 -1.055 1.00 63.31 N ATOM 171 CA ASP A 11 -13.234 0.795 -2.215 1.00 43.11 C ATOM 172 C ASP A 11 -11.798 0.905 -1.703 1.00 0.11 C ATOM 173 O ASP A 11 -11.535 1.693 -0.778 1.00 33.44 O ATOM 174 CB ASP A 11 -13.582 2.010 -3.116 1.00 74.42 C ATOM 175 CG ASP A 11 -14.942 1.884 -3.835 1.00 12.24 C ATOM 176 OD1 ASP A 11 -15.998 1.877 -3.151 1.00 50.24 O ATOM 177 OD2 ASP A 11 -14.960 1.842 -5.084 1.00 32.23 O ATOM 0 HA ASP A 11 -13.349 -0.106 -2.817 1.00 43.11 H new ATOM 0 HB2 ASP A 11 -13.587 2.913 -2.506 1.00 74.42 H new ATOM 0 HB3 ASP A 11 -12.797 2.133 -3.862 1.00 74.42 H new ATOM 182 N ILE A 12 -10.881 0.106 -2.277 1.00 54.51 N ATOM 183 CA ILE A 12 -9.507 0.027 -1.785 1.00 40.13 C ATOM 184 C ILE A 12 -8.792 1.360 -2.073 1.00 21.44 C ATOM 185 O ILE A 12 -8.343 1.617 -3.189 1.00 53.32 O ATOM 186 CB ILE A 12 -8.723 -1.172 -2.443 1.00 24.02 C ATOM 187 CG1 ILE A 12 -9.515 -2.513 -2.307 1.00 23.31 C ATOM 188 CG2 ILE A 12 -7.312 -1.304 -1.823 1.00 32.41 C ATOM 189 CD1 ILE A 12 -8.915 -3.687 -3.072 1.00 71.34 C ATOM 0 H ILE A 12 -11.073 -0.491 -3.081 1.00 54.51 H new ATOM 0 HA ILE A 12 -9.532 -0.155 -0.711 1.00 40.13 H new ATOM 0 HB ILE A 12 -8.615 -0.958 -3.506 1.00 24.02 H new ATOM 0 HG12 ILE A 12 -9.576 -2.778 -1.251 1.00 23.31 H new ATOM 0 HG13 ILE A 12 -10.536 -2.353 -2.655 1.00 23.31 H new ATOM 0 HG21 ILE A 12 -6.786 -2.137 -2.290 1.00 32.41 H new ATOM 0 HG22 ILE A 12 -6.754 -0.383 -1.990 1.00 32.41 H new ATOM 0 HG23 ILE A 12 -7.401 -1.485 -0.752 1.00 32.41 H new ATOM 0 HD11 ILE A 12 -9.530 -4.574 -2.919 1.00 71.34 H new ATOM 0 HD12 ILE A 12 -8.880 -3.449 -4.135 1.00 71.34 H new ATOM 0 HD13 ILE A 12 -7.905 -3.880 -2.710 1.00 71.34 H new ATOM 201 N GLN A 13 -8.719 2.204 -1.041 1.00 34.42 N ATOM 202 CA GLN A 13 -8.035 3.494 -1.099 1.00 34.45 C ATOM 203 C GLN A 13 -6.611 3.321 -0.576 1.00 5.21 C ATOM 204 O GLN A 13 -6.402 2.839 0.551 1.00 12.13 O ATOM 205 CB GLN A 13 -8.794 4.555 -0.255 1.00 74.13 C ATOM 206 CG GLN A 13 -8.128 5.954 -0.243 1.00 44.11 C ATOM 207 CD GLN A 13 -8.810 6.965 0.688 1.00 52.40 C ATOM 208 OE1 GLN A 13 -10.018 6.902 0.927 1.00 53.50 O ATOM 209 NE2 GLN A 13 -8.043 7.904 1.218 1.00 34.31 N ATOM 0 H GLN A 13 -9.138 2.007 -0.132 1.00 34.42 H new ATOM 0 HA GLN A 13 -8.008 3.843 -2.131 1.00 34.45 H new ATOM 0 HB2 GLN A 13 -9.809 4.652 -0.641 1.00 74.13 H new ATOM 0 HB3 GLN A 13 -8.876 4.196 0.771 1.00 74.13 H new ATOM 0 HG2 GLN A 13 -7.086 5.846 0.057 1.00 44.11 H new ATOM 0 HG3 GLN A 13 -8.128 6.353 -1.257 1.00 44.11 H new ATOM 0 HE21 GLN A 13 -7.047 7.931 1.002 1.00 34.31 H new ATOM 0 HE22 GLN A 13 -8.448 8.601 1.843 1.00 34.31 H new ATOM 218 N VAL A 14 -5.648 3.687 -1.418 1.00 34.44 N ATOM 219 CA VAL A 14 -4.240 3.755 -1.059 1.00 14.14 C ATOM 220 C VAL A 14 -3.887 5.235 -0.907 1.00 43.02 C ATOM 221 O VAL A 14 -3.811 5.955 -1.903 1.00 24.13 O ATOM 222 CB VAL A 14 -3.317 3.097 -2.157 1.00 62.21 C ATOM 223 CG1 VAL A 14 -1.877 2.938 -1.631 1.00 12.42 C ATOM 224 CG2 VAL A 14 -3.893 1.751 -2.652 1.00 2.42 C ATOM 0 H VAL A 14 -5.831 3.949 -2.387 1.00 34.44 H new ATOM 0 HA VAL A 14 -4.073 3.202 -0.135 1.00 14.14 H new ATOM 0 HB VAL A 14 -3.289 3.766 -3.017 1.00 62.21 H new ATOM 0 HG11 VAL A 14 -1.256 2.483 -2.402 1.00 12.42 H new ATOM 0 HG12 VAL A 14 -1.474 3.917 -1.372 1.00 12.42 H new ATOM 0 HG13 VAL A 14 -1.881 2.302 -0.746 1.00 12.42 H new ATOM 0 HG21 VAL A 14 -3.231 1.328 -3.407 1.00 2.42 H new ATOM 0 HG22 VAL A 14 -3.975 1.060 -1.813 1.00 2.42 H new ATOM 0 HG23 VAL A 14 -4.880 1.915 -3.085 1.00 2.42 H new ATOM 234 N GLN A 15 -3.715 5.686 0.337 1.00 54.44 N ATOM 235 CA GLN A 15 -3.373 7.077 0.652 1.00 53.24 C ATOM 236 C GLN A 15 -1.936 7.117 1.166 1.00 51.43 C ATOM 237 O GLN A 15 -1.592 6.399 2.112 1.00 54.25 O ATOM 238 CB GLN A 15 -4.342 7.645 1.721 1.00 60.13 C ATOM 239 CG GLN A 15 -4.084 9.124 2.087 1.00 24.42 C ATOM 240 CD GLN A 15 -4.977 9.650 3.218 1.00 23.21 C ATOM 241 OE1 GLN A 15 -5.382 8.903 4.108 1.00 24.13 O ATOM 242 NE2 GLN A 15 -5.278 10.941 3.197 1.00 54.41 N ATOM 0 H GLN A 15 -3.810 5.093 1.161 1.00 54.44 H new ATOM 0 HA GLN A 15 -3.465 7.691 -0.244 1.00 53.24 H new ATOM 0 HB2 GLN A 15 -5.365 7.545 1.358 1.00 60.13 H new ATOM 0 HB3 GLN A 15 -4.264 7.040 2.624 1.00 60.13 H new ATOM 0 HG2 GLN A 15 -3.040 9.239 2.378 1.00 24.42 H new ATOM 0 HG3 GLN A 15 -4.237 9.739 1.200 1.00 24.42 H new ATOM 0 HE21 GLN A 15 -4.927 11.534 2.445 1.00 54.41 H new ATOM 0 HE22 GLN A 15 -5.861 11.341 3.932 1.00 54.41 H new ATOM 251 N ASN A 16 -1.102 7.940 0.528 1.00 10.23 N ATOM 252 CA ASN A 16 0.314 8.074 0.877 1.00 65.50 C ATOM 253 C ASN A 16 0.559 9.401 1.598 1.00 52.32 C ATOM 254 O ASN A 16 0.337 10.479 1.023 1.00 30.44 O ATOM 255 CB ASN A 16 1.179 7.969 -0.400 1.00 12.13 C ATOM 256 CG ASN A 16 0.956 6.642 -1.126 1.00 0.44 C ATOM 257 OD1 ASN A 16 0.067 6.520 -1.966 1.00 42.41 O ATOM 258 ND2 ASN A 16 1.750 5.639 -0.796 1.00 11.54 N ATOM 0 H ASN A 16 -1.391 8.535 -0.249 1.00 10.23 H new ATOM 0 HA ASN A 16 0.596 7.267 1.553 1.00 65.50 H new ATOM 0 HB2 ASN A 16 0.941 8.795 -1.070 1.00 12.13 H new ATOM 0 HB3 ASN A 16 2.232 8.067 -0.136 1.00 12.13 H new ATOM 0 HD21 ASN A 16 1.635 4.729 -1.243 1.00 11.54 H new ATOM 0 HD22 ASN A 16 2.478 5.774 -0.095 1.00 11.54 H new ATOM 265 N ASN A 17 1.020 9.316 2.857 1.00 43.04 N ATOM 266 CA ASN A 17 1.359 10.494 3.665 1.00 53.22 C ATOM 267 C ASN A 17 2.882 10.634 3.670 1.00 4.43 C ATOM 268 O ASN A 17 3.592 9.848 4.295 1.00 32.40 O ATOM 269 CB ASN A 17 0.799 10.356 5.111 1.00 53.23 C ATOM 270 CG ASN A 17 0.780 11.661 5.948 1.00 15.55 C ATOM 271 OD1 ASN A 17 -0.141 11.874 6.742 1.00 2.51 O ATOM 272 ND2 ASN A 17 1.781 12.535 5.827 1.00 25.34 N ATOM 0 H ASN A 17 1.167 8.430 3.340 1.00 43.04 H new ATOM 0 HA ASN A 17 0.906 11.389 3.238 1.00 53.22 H new ATOM 0 HB2 ASN A 17 -0.218 9.968 5.052 1.00 53.23 H new ATOM 0 HB3 ASN A 17 1.393 9.613 5.643 1.00 53.23 H new ATOM 0 HD21 ASN A 17 1.788 13.384 6.392 1.00 25.34 H new ATOM 0 HD22 ASN A 17 2.539 12.354 5.169 1.00 25.34 H new ATOM 279 N ASN A 18 3.365 11.660 2.977 1.00 33.04 N ATOM 280 CA ASN A 18 4.790 11.976 2.858 1.00 41.02 C ATOM 281 C ASN A 18 5.005 13.407 3.361 1.00 74.41 C ATOM 282 O ASN A 18 4.243 14.311 3.009 1.00 61.33 O ATOM 283 CB ASN A 18 5.252 11.782 1.387 1.00 2.40 C ATOM 284 CG ASN A 18 4.440 12.587 0.356 1.00 74.10 C ATOM 285 OD1 ASN A 18 4.818 13.691 -0.033 1.00 74.41 O ATOM 286 ND2 ASN A 18 3.314 12.038 -0.083 1.00 74.51 N ATOM 0 H ASN A 18 2.766 12.311 2.470 1.00 33.04 H new ATOM 0 HA ASN A 18 5.396 11.304 3.466 1.00 41.02 H new ATOM 0 HB2 ASN A 18 6.301 12.066 1.308 1.00 2.40 H new ATOM 0 HB3 ASN A 18 5.189 10.723 1.135 1.00 2.40 H new ATOM 0 HD21 ASN A 18 2.736 12.533 -0.762 1.00 74.51 H new ATOM 0 HD22 ASN A 18 3.027 11.121 0.258 1.00 74.51 H new ATOM 293 N THR A 19 6.005 13.602 4.237 1.00 10.33 N ATOM 294 CA THR A 19 6.264 14.902 4.871 1.00 54.53 C ATOM 295 C THR A 19 7.729 15.321 4.640 1.00 2.15 C ATOM 296 O THR A 19 8.652 14.732 5.216 1.00 63.11 O ATOM 297 CB THR A 19 5.929 14.838 6.408 1.00 63.50 C ATOM 298 OG1 THR A 19 6.635 13.742 7.023 1.00 73.45 O ATOM 299 CG2 THR A 19 4.417 14.669 6.679 1.00 43.54 C ATOM 0 H THR A 19 6.652 12.867 4.523 1.00 10.33 H new ATOM 0 HA THR A 19 5.618 15.654 4.417 1.00 54.53 H new ATOM 0 HB THR A 19 6.245 15.789 6.837 1.00 63.50 H new ATOM 0 HG1 THR A 19 6.422 13.711 7.979 1.00 73.45 H new ATOM 0 HG21 THR A 19 4.242 14.631 7.754 1.00 43.54 H new ATOM 0 HG22 THR A 19 3.874 15.513 6.253 1.00 43.54 H new ATOM 0 HG23 THR A 19 4.066 13.744 6.221 1.00 43.54 H new ATOM 407 N TYR A 27 -0.049 11.707 -3.694 1.00 23.13 N ATOM 408 CA TYR A 27 -0.670 10.769 -4.655 1.00 21.04 C ATOM 409 C TYR A 27 -1.499 9.690 -3.922 1.00 52.02 C ATOM 410 O TYR A 27 -1.022 9.054 -2.978 1.00 54.13 O ATOM 411 CB TYR A 27 0.414 10.131 -5.585 1.00 60.51 C ATOM 412 CG TYR A 27 1.657 9.579 -4.858 1.00 44.12 C ATOM 413 CD1 TYR A 27 2.729 10.420 -4.537 1.00 42.14 C ATOM 414 CD2 TYR A 27 1.759 8.240 -4.479 1.00 64.21 C ATOM 415 CE1 TYR A 27 3.840 9.952 -3.873 1.00 61.32 C ATOM 416 CE2 TYR A 27 2.876 7.773 -3.807 1.00 62.23 C ATOM 417 CZ TYR A 27 3.909 8.633 -3.507 1.00 41.42 C ATOM 418 OH TYR A 27 5.017 8.172 -2.837 1.00 43.22 O ATOM 0 HA TYR A 27 -1.357 11.332 -5.286 1.00 21.04 H new ATOM 0 HB2 TYR A 27 -0.046 9.321 -6.151 1.00 60.51 H new ATOM 0 HB3 TYR A 27 0.738 10.881 -6.307 1.00 60.51 H new ATOM 0 HD1 TYR A 27 2.683 11.462 -4.817 1.00 42.14 H new ATOM 0 HD2 TYR A 27 0.955 7.558 -4.713 1.00 64.21 H new ATOM 0 HE1 TYR A 27 4.655 10.622 -3.641 1.00 61.32 H new ATOM 0 HE2 TYR A 27 2.937 6.734 -3.518 1.00 62.23 H new ATOM 0 HH TYR A 27 4.747 7.815 -1.965 1.00 43.22 H new ATOM 428 N THR A 28 -2.762 9.562 -4.339 1.00 61.42 N ATOM 429 CA THR A 28 -3.744 8.657 -3.730 1.00 12.12 C ATOM 430 C THR A 28 -4.534 7.958 -4.844 1.00 23.31 C ATOM 431 O THR A 28 -5.003 8.618 -5.783 1.00 35.34 O ATOM 432 CB THR A 28 -4.704 9.457 -2.775 1.00 34.13 C ATOM 433 OG1 THR A 28 -3.928 10.050 -1.720 1.00 63.31 O ATOM 434 CG2 THR A 28 -5.816 8.581 -2.154 1.00 52.33 C ATOM 0 H THR A 28 -3.139 10.094 -5.124 1.00 61.42 H new ATOM 0 HA THR A 28 -3.231 7.905 -3.130 1.00 12.12 H new ATOM 0 HB THR A 28 -5.198 10.217 -3.381 1.00 34.13 H new ATOM 0 HG1 THR A 28 -4.520 10.552 -1.121 1.00 63.31 H new ATOM 0 HG21 THR A 28 -6.443 9.194 -1.506 1.00 52.33 H new ATOM 0 HG22 THR A 28 -6.426 8.151 -2.948 1.00 52.33 H new ATOM 0 HG23 THR A 28 -5.364 7.780 -1.569 1.00 52.33 H new ATOM 442 N TYR A 29 -4.642 6.619 -4.764 1.00 54.43 N ATOM 443 CA TYR A 29 -5.355 5.807 -5.764 1.00 55.14 C ATOM 444 C TYR A 29 -6.457 4.997 -5.082 1.00 52.01 C ATOM 445 O TYR A 29 -6.177 4.179 -4.211 1.00 33.35 O ATOM 446 CB TYR A 29 -4.350 4.865 -6.484 1.00 20.52 C ATOM 447 CG TYR A 29 -3.235 5.625 -7.210 1.00 61.24 C ATOM 448 CD1 TYR A 29 -3.464 6.198 -8.458 1.00 35.11 C ATOM 449 CD2 TYR A 29 -1.972 5.804 -6.630 1.00 32.45 C ATOM 450 CE1 TYR A 29 -2.491 6.924 -9.099 1.00 14.44 C ATOM 451 CE2 TYR A 29 -0.986 6.525 -7.281 1.00 31.12 C ATOM 452 CZ TYR A 29 -1.258 7.085 -8.510 1.00 42.14 C ATOM 453 OH TYR A 29 -0.307 7.835 -9.153 1.00 33.34 O ATOM 0 H TYR A 29 -4.237 6.071 -4.005 1.00 54.43 H new ATOM 0 HA TYR A 29 -5.814 6.461 -6.505 1.00 55.14 H new ATOM 0 HB2 TYR A 29 -3.906 4.189 -5.753 1.00 20.52 H new ATOM 0 HB3 TYR A 29 -4.889 4.248 -7.202 1.00 20.52 H new ATOM 0 HD1 TYR A 29 -4.426 6.069 -8.931 1.00 35.11 H new ATOM 0 HD2 TYR A 29 -1.765 5.373 -5.661 1.00 32.45 H new ATOM 0 HE1 TYR A 29 -2.693 7.367 -10.063 1.00 14.44 H new ATOM 0 HE2 TYR A 29 -0.012 6.647 -6.830 1.00 31.12 H new ATOM 0 HH TYR A 29 0.562 7.387 -9.088 1.00 33.34 H new ATOM 463 N THR A 30 -7.706 5.214 -5.509 1.00 73.02 N ATOM 464 CA THR A 30 -8.874 4.496 -4.995 1.00 32.03 C ATOM 465 C THR A 30 -9.388 3.561 -6.099 1.00 63.10 C ATOM 466 O THR A 30 -9.949 4.011 -7.109 1.00 1.43 O ATOM 467 CB THR A 30 -9.981 5.498 -4.528 1.00 24.14 C ATOM 468 OG1 THR A 30 -9.410 6.424 -3.583 1.00 71.23 O ATOM 469 CG2 THR A 30 -11.182 4.787 -3.873 1.00 31.14 C ATOM 0 H THR A 30 -7.935 5.900 -6.228 1.00 73.02 H new ATOM 0 HA THR A 30 -8.597 3.905 -4.122 1.00 32.03 H new ATOM 0 HB THR A 30 -10.349 6.017 -5.413 1.00 24.14 H new ATOM 0 HG1 THR A 30 -10.098 7.056 -3.288 1.00 71.23 H new ATOM 0 HG21 THR A 30 -11.921 5.528 -3.567 1.00 31.14 H new ATOM 0 HG22 THR A 30 -11.632 4.099 -4.589 1.00 31.14 H new ATOM 0 HG23 THR A 30 -10.843 4.231 -2.999 1.00 31.14 H new ATOM 477 N VAL A 31 -9.123 2.265 -5.912 1.00 24.20 N ATOM 478 CA VAL A 31 -9.447 1.207 -6.872 1.00 41.53 C ATOM 479 C VAL A 31 -10.576 0.307 -6.318 1.00 21.53 C ATOM 480 O VAL A 31 -10.685 0.103 -5.104 1.00 54.34 O ATOM 481 CB VAL A 31 -8.159 0.363 -7.204 1.00 70.50 C ATOM 482 CG1 VAL A 31 -7.061 1.250 -7.845 1.00 25.15 C ATOM 483 CG2 VAL A 31 -7.613 -0.368 -5.954 1.00 74.45 C ATOM 0 H VAL A 31 -8.667 1.915 -5.070 1.00 24.20 H new ATOM 0 HA VAL A 31 -9.802 1.662 -7.796 1.00 41.53 H new ATOM 0 HB VAL A 31 -8.450 -0.398 -7.928 1.00 70.50 H new ATOM 0 HG11 VAL A 31 -6.183 0.642 -8.064 1.00 25.15 H new ATOM 0 HG12 VAL A 31 -7.439 1.686 -8.769 1.00 25.15 H new ATOM 0 HG13 VAL A 31 -6.787 2.047 -7.153 1.00 25.15 H new ATOM 0 HG21 VAL A 31 -6.725 -0.939 -6.225 1.00 74.45 H new ATOM 0 HG22 VAL A 31 -7.354 0.364 -5.189 1.00 74.45 H new ATOM 0 HG23 VAL A 31 -8.375 -1.045 -5.567 1.00 74.45 H new ATOM 493 N THR A 32 -11.413 -0.218 -7.222 1.00 4.21 N ATOM 494 CA THR A 32 -12.562 -1.079 -6.860 1.00 11.20 C ATOM 495 C THR A 32 -12.203 -2.581 -7.013 1.00 2.22 C ATOM 496 O THR A 32 -13.012 -3.453 -6.684 1.00 11.22 O ATOM 497 CB THR A 32 -13.819 -0.701 -7.734 1.00 52.34 C ATOM 498 OG1 THR A 32 -14.988 -1.434 -7.317 1.00 25.03 O ATOM 499 CG2 THR A 32 -13.591 -0.932 -9.240 1.00 62.30 C ATOM 0 H THR A 32 -11.319 -0.062 -8.226 1.00 4.21 H new ATOM 0 HA THR A 32 -12.808 -0.908 -5.812 1.00 11.20 H new ATOM 0 HB THR A 32 -13.978 0.365 -7.575 1.00 52.34 H new ATOM 0 HG1 THR A 32 -14.713 -2.260 -6.867 1.00 25.03 H new ATOM 0 HG21 THR A 32 -14.490 -0.655 -9.791 1.00 62.30 H new ATOM 0 HG22 THR A 32 -12.754 -0.321 -9.579 1.00 62.30 H new ATOM 0 HG23 THR A 32 -13.367 -1.984 -9.417 1.00 62.30 H new ATOM 507 N THR A 33 -10.971 -2.874 -7.491 1.00 41.13 N ATOM 508 CA THR A 33 -10.516 -4.256 -7.770 1.00 72.52 C ATOM 509 C THR A 33 -9.033 -4.430 -7.346 1.00 44.04 C ATOM 510 O THR A 33 -8.237 -3.487 -7.453 1.00 53.41 O ATOM 511 CB THR A 33 -10.693 -4.602 -9.298 1.00 74.11 C ATOM 512 OG1 THR A 33 -12.005 -4.213 -9.746 1.00 75.43 O ATOM 513 CG2 THR A 33 -10.495 -6.103 -9.588 1.00 13.30 C ATOM 0 H THR A 33 -10.268 -2.163 -7.693 1.00 41.13 H new ATOM 0 HA THR A 33 -11.130 -4.944 -7.189 1.00 72.52 H new ATOM 0 HB THR A 33 -9.925 -4.047 -9.836 1.00 74.11 H new ATOM 0 HG1 THR A 33 -12.104 -4.431 -10.696 1.00 75.43 H new ATOM 0 HG21 THR A 33 -10.628 -6.288 -10.654 1.00 13.30 H new ATOM 0 HG22 THR A 33 -9.490 -6.402 -9.290 1.00 13.30 H new ATOM 0 HG23 THR A 33 -11.227 -6.682 -9.025 1.00 13.30 H new ATOM 521 N GLU A 34 -8.684 -5.650 -6.878 1.00 2.35 N ATOM 522 CA GLU A 34 -7.333 -6.006 -6.377 1.00 71.42 C ATOM 523 C GLU A 34 -6.280 -6.072 -7.511 1.00 11.33 C ATOM 524 O GLU A 34 -5.076 -5.950 -7.250 1.00 5.30 O ATOM 525 CB GLU A 34 -7.401 -7.364 -5.634 1.00 55.43 C ATOM 526 CG GLU A 34 -8.419 -7.402 -4.474 1.00 52.20 C ATOM 527 CD GLU A 34 -8.684 -8.825 -3.958 1.00 71.34 C ATOM 528 OE1 GLU A 34 -9.389 -9.592 -4.669 1.00 11.11 O ATOM 529 OE2 GLU A 34 -8.180 -9.196 -2.875 1.00 74.22 O ATOM 0 H GLU A 34 -9.342 -6.428 -6.836 1.00 2.35 H new ATOM 0 HA GLU A 34 -7.015 -5.219 -5.693 1.00 71.42 H new ATOM 0 HB2 GLU A 34 -7.655 -8.145 -6.351 1.00 55.43 H new ATOM 0 HB3 GLU A 34 -6.412 -7.601 -5.242 1.00 55.43 H new ATOM 0 HG2 GLU A 34 -8.051 -6.786 -3.654 1.00 52.20 H new ATOM 0 HG3 GLU A 34 -9.358 -6.961 -4.807 1.00 52.20 H new ATOM 536 N SER A 35 -6.737 -6.279 -8.756 1.00 43.21 N ATOM 537 CA SER A 35 -5.866 -6.219 -9.942 1.00 32.40 C ATOM 538 C SER A 35 -5.391 -4.776 -10.165 1.00 64.34 C ATOM 539 O SER A 35 -4.195 -4.527 -10.332 1.00 2.25 O ATOM 540 CB SER A 35 -6.617 -6.744 -11.182 1.00 74.21 C ATOM 541 OG SER A 35 -7.869 -6.100 -11.331 1.00 61.21 O ATOM 0 H SER A 35 -7.712 -6.491 -8.969 1.00 43.21 H new ATOM 0 HA SER A 35 -4.994 -6.852 -9.779 1.00 32.40 H new ATOM 0 HB2 SER A 35 -6.012 -6.580 -12.074 1.00 74.21 H new ATOM 0 HB3 SER A 35 -6.767 -7.820 -11.092 1.00 74.21 H new ATOM 0 HG SER A 35 -7.765 -5.310 -11.901 1.00 61.21 H new ATOM 547 N GLU A 36 -6.357 -3.835 -10.092 1.00 24.11 N ATOM 548 CA GLU A 36 -6.093 -2.394 -10.235 1.00 51.34 C ATOM 549 C GLU A 36 -5.181 -1.896 -9.095 1.00 34.01 C ATOM 550 O GLU A 36 -4.406 -0.960 -9.278 1.00 44.13 O ATOM 551 CB GLU A 36 -7.420 -1.579 -10.252 1.00 14.41 C ATOM 552 CG GLU A 36 -8.535 -2.139 -11.156 1.00 52.41 C ATOM 553 CD GLU A 36 -8.080 -2.461 -12.588 1.00 70.54 C ATOM 554 OE1 GLU A 36 -7.849 -1.525 -13.368 1.00 74.34 O ATOM 555 OE2 GLU A 36 -7.977 -3.656 -12.941 1.00 4.13 O ATOM 0 H GLU A 36 -7.340 -4.057 -9.932 1.00 24.11 H new ATOM 0 HA GLU A 36 -5.585 -2.241 -11.187 1.00 51.34 H new ATOM 0 HB2 GLU A 36 -7.800 -1.517 -9.232 1.00 14.41 H new ATOM 0 HB3 GLU A 36 -7.196 -0.561 -10.571 1.00 14.41 H new ATOM 0 HG2 GLU A 36 -8.936 -3.045 -10.701 1.00 52.41 H new ATOM 0 HG3 GLU A 36 -9.350 -1.417 -11.199 1.00 52.41 H new ATOM 562 N LEU A 37 -5.295 -2.560 -7.929 1.00 1.32 N ATOM 563 CA LEU A 37 -4.453 -2.304 -6.748 1.00 32.40 C ATOM 564 C LEU A 37 -2.969 -2.611 -7.039 1.00 51.42 C ATOM 565 O LEU A 37 -2.105 -1.773 -6.800 1.00 52.03 O ATOM 566 CB LEU A 37 -4.955 -3.155 -5.548 1.00 41.13 C ATOM 567 CG LEU A 37 -4.136 -3.051 -4.223 1.00 22.11 C ATOM 568 CD1 LEU A 37 -4.086 -1.607 -3.698 1.00 13.24 C ATOM 569 CD2 LEU A 37 -4.685 -4.012 -3.152 1.00 14.23 C ATOM 0 H LEU A 37 -5.983 -3.298 -7.780 1.00 1.32 H new ATOM 0 HA LEU A 37 -4.530 -1.246 -6.497 1.00 32.40 H new ATOM 0 HB2 LEU A 37 -5.985 -2.868 -5.335 1.00 41.13 H new ATOM 0 HB3 LEU A 37 -4.972 -4.200 -5.856 1.00 41.13 H new ATOM 0 HG LEU A 37 -3.113 -3.351 -4.450 1.00 22.11 H new ATOM 0 HD11 LEU A 37 -3.507 -1.575 -2.775 1.00 13.24 H new ATOM 0 HD12 LEU A 37 -3.616 -0.965 -4.443 1.00 13.24 H new ATOM 0 HD13 LEU A 37 -5.099 -1.255 -3.503 1.00 13.24 H new ATOM 0 HD21 LEU A 37 -4.094 -3.917 -2.241 1.00 14.23 H new ATOM 0 HD22 LEU A 37 -5.724 -3.763 -2.938 1.00 14.23 H new ATOM 0 HD23 LEU A 37 -4.625 -5.037 -3.518 1.00 14.23 H new ATOM 581 N GLN A 38 -2.697 -3.808 -7.577 1.00 1.25 N ATOM 582 CA GLN A 38 -1.317 -4.253 -7.895 1.00 73.33 C ATOM 583 C GLN A 38 -0.683 -3.369 -8.990 1.00 14.45 C ATOM 584 O GLN A 38 0.534 -3.124 -8.983 1.00 74.13 O ATOM 585 CB GLN A 38 -1.332 -5.735 -8.335 1.00 25.12 C ATOM 586 CG GLN A 38 -1.853 -6.699 -7.258 1.00 45.43 C ATOM 587 CD GLN A 38 -2.044 -8.121 -7.786 1.00 24.41 C ATOM 588 OE1 GLN A 38 -1.132 -8.948 -7.739 1.00 15.10 O ATOM 589 NE2 GLN A 38 -3.226 -8.402 -8.319 1.00 63.14 N ATOM 0 H GLN A 38 -3.415 -4.496 -7.805 1.00 1.25 H new ATOM 0 HA GLN A 38 -0.708 -4.154 -6.996 1.00 73.33 H new ATOM 0 HB2 GLN A 38 -1.951 -5.833 -9.227 1.00 25.12 H new ATOM 0 HB3 GLN A 38 -0.321 -6.031 -8.615 1.00 25.12 H new ATOM 0 HG2 GLN A 38 -1.154 -6.716 -6.422 1.00 45.43 H new ATOM 0 HG3 GLN A 38 -2.802 -6.328 -6.872 1.00 45.43 H new ATOM 0 HE21 GLN A 38 -3.958 -7.692 -8.340 1.00 63.14 H new ATOM 0 HE22 GLN A 38 -3.403 -9.328 -8.707 1.00 63.14 H new ATOM 598 N LYS A 39 -1.545 -2.888 -9.906 1.00 13.43 N ATOM 599 CA LYS A 39 -1.173 -1.948 -10.974 1.00 3.32 C ATOM 600 C LYS A 39 -0.702 -0.607 -10.372 1.00 44.21 C ATOM 601 O LYS A 39 0.419 -0.164 -10.649 1.00 4.44 O ATOM 602 CB LYS A 39 -2.384 -1.733 -11.929 1.00 2.21 C ATOM 603 CG LYS A 39 -2.726 -2.956 -12.817 1.00 2.02 C ATOM 604 CD LYS A 39 -4.112 -2.844 -13.501 1.00 15.30 C ATOM 605 CE LYS A 39 -4.290 -1.567 -14.338 1.00 52.35 C ATOM 606 NZ LYS A 39 -3.316 -1.479 -15.459 1.00 32.31 N ATOM 0 H LYS A 39 -2.532 -3.146 -9.923 1.00 13.43 H new ATOM 0 HA LYS A 39 -0.346 -2.367 -11.547 1.00 3.32 H new ATOM 0 HB2 LYS A 39 -3.260 -1.476 -11.333 1.00 2.21 H new ATOM 0 HB3 LYS A 39 -2.175 -0.879 -12.573 1.00 2.21 H new ATOM 0 HG2 LYS A 39 -1.958 -3.067 -13.582 1.00 2.02 H new ATOM 0 HG3 LYS A 39 -2.701 -3.859 -12.207 1.00 2.02 H new ATOM 0 HD2 LYS A 39 -4.261 -3.712 -14.143 1.00 15.30 H new ATOM 0 HD3 LYS A 39 -4.888 -2.877 -12.736 1.00 15.30 H new ATOM 0 HE2 LYS A 39 -5.303 -1.538 -14.739 1.00 52.35 H new ATOM 0 HE3 LYS A 39 -4.177 -0.695 -13.693 1.00 52.35 H new ATOM 0 HZ1 LYS A 39 -3.478 -0.601 -15.992 1.00 32.31 H new ATOM 0 HZ2 LYS A 39 -2.348 -1.479 -15.079 1.00 32.31 H new ATOM 0 HZ3 LYS A 39 -3.440 -2.295 -16.091 1.00 32.31 H new ATOM 620 N VAL A 40 -1.546 -0.001 -9.502 1.00 62.52 N ATOM 621 CA VAL A 40 -1.264 1.331 -8.927 1.00 43.21 C ATOM 622 C VAL A 40 -0.077 1.297 -7.954 1.00 35.44 C ATOM 623 O VAL A 40 0.654 2.267 -7.873 1.00 63.03 O ATOM 624 CB VAL A 40 -2.514 2.002 -8.227 1.00 41.33 C ATOM 625 CG1 VAL A 40 -3.683 2.170 -9.212 1.00 65.41 C ATOM 626 CG2 VAL A 40 -2.963 1.255 -6.950 1.00 74.11 C ATOM 0 H VAL A 40 -2.423 -0.414 -9.186 1.00 62.52 H new ATOM 0 HA VAL A 40 -1.005 1.953 -9.784 1.00 43.21 H new ATOM 0 HB VAL A 40 -2.191 2.993 -7.908 1.00 41.33 H new ATOM 0 HG11 VAL A 40 -4.526 2.634 -8.700 1.00 65.41 H new ATOM 0 HG12 VAL A 40 -3.371 2.802 -10.043 1.00 65.41 H new ATOM 0 HG13 VAL A 40 -3.982 1.193 -9.592 1.00 65.41 H new ATOM 0 HG21 VAL A 40 -3.824 1.763 -6.515 1.00 74.11 H new ATOM 0 HG22 VAL A 40 -3.236 0.231 -7.205 1.00 74.11 H new ATOM 0 HG23 VAL A 40 -2.146 1.244 -6.229 1.00 74.11 H new ATOM 636 N LEU A 41 0.112 0.160 -7.245 1.00 30.21 N ATOM 637 CA LEU A 41 1.211 -0.020 -6.262 1.00 62.34 C ATOM 638 C LEU A 41 2.579 -0.133 -6.954 1.00 1.55 C ATOM 639 O LEU A 41 3.597 0.309 -6.404 1.00 74.34 O ATOM 640 CB LEU A 41 0.962 -1.264 -5.365 1.00 70.40 C ATOM 641 CG LEU A 41 -0.206 -1.142 -4.338 1.00 31.21 C ATOM 642 CD1 LEU A 41 -0.382 -2.456 -3.545 1.00 64.03 C ATOM 643 CD2 LEU A 41 0.004 0.062 -3.393 1.00 22.55 C ATOM 0 H LEU A 41 -0.490 -0.658 -7.336 1.00 30.21 H new ATOM 0 HA LEU A 41 1.223 0.869 -5.631 1.00 62.34 H new ATOM 0 HB2 LEU A 41 0.764 -2.119 -6.011 1.00 70.40 H new ATOM 0 HB3 LEU A 41 1.879 -1.483 -4.818 1.00 70.40 H new ATOM 0 HG LEU A 41 -1.126 -0.964 -4.895 1.00 31.21 H new ATOM 0 HD11 LEU A 41 -1.202 -2.346 -2.836 1.00 64.03 H new ATOM 0 HD12 LEU A 41 -0.606 -3.270 -4.235 1.00 64.03 H new ATOM 0 HD13 LEU A 41 0.537 -2.681 -3.004 1.00 64.03 H new ATOM 0 HD21 LEU A 41 -0.826 0.121 -2.689 1.00 22.55 H new ATOM 0 HD22 LEU A 41 0.937 -0.065 -2.844 1.00 22.55 H new ATOM 0 HD23 LEU A 41 0.049 0.980 -3.978 1.00 22.55 H new ATOM 655 N ASN A 42 2.589 -0.728 -8.156 1.00 71.35 N ATOM 656 CA ASN A 42 3.810 -0.851 -8.972 1.00 43.10 C ATOM 657 C ASN A 42 4.236 0.545 -9.474 1.00 70.13 C ATOM 658 O ASN A 42 5.424 0.896 -9.448 1.00 52.13 O ATOM 659 CB ASN A 42 3.578 -1.829 -10.161 1.00 72.42 C ATOM 660 CG ASN A 42 4.862 -2.168 -10.931 1.00 43.25 C ATOM 661 OD1 ASN A 42 5.963 -2.177 -10.369 1.00 32.35 O ATOM 662 ND2 ASN A 42 4.730 -2.459 -12.217 1.00 52.54 N ATOM 0 H ASN A 42 1.760 -1.135 -8.589 1.00 71.35 H new ATOM 0 HA ASN A 42 4.612 -1.263 -8.360 1.00 43.10 H new ATOM 0 HB2 ASN A 42 3.136 -2.751 -9.783 1.00 72.42 H new ATOM 0 HB3 ASN A 42 2.856 -1.388 -10.849 1.00 72.42 H new ATOM 0 HD21 ASN A 42 5.551 -2.699 -12.772 1.00 52.54 H new ATOM 0 HD22 ASN A 42 3.807 -2.443 -12.651 1.00 52.54 H new ATOM 669 N GLU A 43 3.229 1.340 -9.878 1.00 64.04 N ATOM 670 CA GLU A 43 3.412 2.740 -10.319 1.00 54.25 C ATOM 671 C GLU A 43 3.787 3.635 -9.118 1.00 4.23 C ATOM 672 O GLU A 43 4.584 4.559 -9.241 1.00 71.15 O ATOM 673 CB GLU A 43 2.106 3.241 -10.995 1.00 51.12 C ATOM 674 CG GLU A 43 1.649 2.365 -12.183 1.00 4.43 C ATOM 675 CD GLU A 43 0.298 2.783 -12.788 1.00 34.02 C ATOM 676 OE1 GLU A 43 -0.733 2.722 -12.077 1.00 70.21 O ATOM 677 OE2 GLU A 43 0.253 3.175 -13.974 1.00 30.33 O ATOM 0 H GLU A 43 2.258 1.030 -9.909 1.00 64.04 H new ATOM 0 HA GLU A 43 4.226 2.790 -11.042 1.00 54.25 H new ATOM 0 HB2 GLU A 43 1.310 3.273 -10.251 1.00 51.12 H new ATOM 0 HB3 GLU A 43 2.256 4.263 -11.344 1.00 51.12 H new ATOM 0 HG2 GLU A 43 2.411 2.402 -12.962 1.00 4.43 H new ATOM 0 HG3 GLU A 43 1.582 1.329 -11.852 1.00 4.43 H new ATOM 684 N LEU A 44 3.224 3.294 -7.953 1.00 74.30 N ATOM 685 CA LEU A 44 3.400 4.026 -6.680 1.00 71.11 C ATOM 686 C LEU A 44 4.834 3.852 -6.160 1.00 72.33 C ATOM 687 O LEU A 44 5.375 4.738 -5.504 1.00 32.04 O ATOM 688 CB LEU A 44 2.345 3.480 -5.680 1.00 61.13 C ATOM 689 CG LEU A 44 2.140 4.198 -4.300 1.00 3.33 C ATOM 690 CD1 LEU A 44 0.690 3.997 -3.814 1.00 42.13 C ATOM 691 CD2 LEU A 44 3.135 3.698 -3.219 1.00 41.05 C ATOM 0 H LEU A 44 2.616 2.480 -7.860 1.00 74.30 H new ATOM 0 HA LEU A 44 3.249 5.097 -6.816 1.00 71.11 H new ATOM 0 HB2 LEU A 44 1.382 3.476 -6.192 1.00 61.13 H new ATOM 0 HB3 LEU A 44 2.600 2.441 -5.472 1.00 61.13 H new ATOM 0 HG LEU A 44 2.336 5.259 -4.454 1.00 3.33 H new ATOM 0 HD11 LEU A 44 0.555 4.498 -2.855 1.00 42.13 H new ATOM 0 HD12 LEU A 44 -0.000 4.419 -4.545 1.00 42.13 H new ATOM 0 HD13 LEU A 44 0.489 2.932 -3.698 1.00 42.13 H new ATOM 0 HD21 LEU A 44 2.951 4.226 -2.283 1.00 41.05 H new ATOM 0 HD22 LEU A 44 2.997 2.628 -3.065 1.00 41.05 H new ATOM 0 HD23 LEU A 44 4.156 3.889 -3.549 1.00 41.05 H new ATOM 703 N LYS A 45 5.424 2.682 -6.459 1.00 51.01 N ATOM 704 CA LYS A 45 6.832 2.375 -6.156 1.00 41.44 C ATOM 705 C LYS A 45 7.776 3.348 -6.902 1.00 53.45 C ATOM 706 O LYS A 45 8.751 3.860 -6.329 1.00 24.14 O ATOM 707 CB LYS A 45 7.123 0.899 -6.539 1.00 12.44 C ATOM 708 CG LYS A 45 8.566 0.435 -6.264 1.00 32.21 C ATOM 709 CD LYS A 45 8.790 -1.068 -6.552 1.00 15.21 C ATOM 710 CE LYS A 45 8.477 -1.466 -8.006 1.00 4.05 C ATOM 711 NZ LYS A 45 8.805 -2.899 -8.260 1.00 30.20 N ATOM 0 H LYS A 45 4.933 1.917 -6.921 1.00 51.01 H new ATOM 0 HA LYS A 45 7.013 2.505 -5.089 1.00 41.44 H new ATOM 0 HB2 LYS A 45 6.437 0.254 -5.990 1.00 12.44 H new ATOM 0 HB3 LYS A 45 6.908 0.764 -7.599 1.00 12.44 H new ATOM 0 HG2 LYS A 45 9.252 1.021 -6.876 1.00 32.21 H new ATOM 0 HG3 LYS A 45 8.814 0.639 -5.222 1.00 32.21 H new ATOM 0 HD2 LYS A 45 9.826 -1.323 -6.329 1.00 15.21 H new ATOM 0 HD3 LYS A 45 8.165 -1.656 -5.880 1.00 15.21 H new ATOM 0 HE2 LYS A 45 7.422 -1.290 -8.214 1.00 4.05 H new ATOM 0 HE3 LYS A 45 9.046 -0.834 -8.688 1.00 4.05 H new ATOM 0 HZ1 LYS A 45 8.372 -3.201 -9.156 1.00 30.20 H new ATOM 0 HZ2 LYS A 45 9.837 -3.014 -8.318 1.00 30.20 H new ATOM 0 HZ3 LYS A 45 8.435 -3.483 -7.483 1.00 30.20 H new ATOM 725 N ASP A 46 7.432 3.614 -8.183 1.00 21.01 N ATOM 726 CA ASP A 46 8.115 4.617 -9.032 1.00 43.51 C ATOM 727 C ASP A 46 7.968 6.027 -8.430 1.00 43.24 C ATOM 728 O ASP A 46 8.911 6.823 -8.463 1.00 20.44 O ATOM 729 CB ASP A 46 7.532 4.576 -10.475 1.00 41.53 C ATOM 730 CG ASP A 46 8.054 5.703 -11.396 1.00 15.43 C ATOM 731 OD1 ASP A 46 9.124 5.533 -12.012 1.00 61.11 O ATOM 732 OD2 ASP A 46 7.384 6.752 -11.529 1.00 12.34 O ATOM 0 H ASP A 46 6.668 3.135 -8.660 1.00 21.01 H new ATOM 0 HA ASP A 46 9.177 4.375 -9.075 1.00 43.51 H new ATOM 0 HB2 ASP A 46 7.771 3.613 -10.925 1.00 41.53 H new ATOM 0 HB3 ASP A 46 6.445 4.641 -10.419 1.00 41.53 H new ATOM 737 N TYR A 47 6.773 6.314 -7.867 1.00 4.23 N ATOM 738 CA TYR A 47 6.487 7.601 -7.211 1.00 1.44 C ATOM 739 C TYR A 47 7.378 7.821 -5.977 1.00 52.13 C ATOM 740 O TYR A 47 8.017 8.857 -5.888 1.00 14.20 O ATOM 741 CB TYR A 47 4.987 7.733 -6.825 1.00 71.11 C ATOM 742 CG TYR A 47 4.090 8.270 -7.939 1.00 24.42 C ATOM 743 CD1 TYR A 47 3.481 7.417 -8.852 1.00 72.33 C ATOM 744 CD2 TYR A 47 3.842 9.642 -8.071 1.00 4.00 C ATOM 745 CE1 TYR A 47 2.667 7.901 -9.854 1.00 3.32 C ATOM 746 CE2 TYR A 47 3.025 10.128 -9.071 1.00 14.23 C ATOM 747 CZ TYR A 47 2.440 9.254 -9.959 1.00 1.51 C ATOM 748 OH TYR A 47 1.620 9.738 -10.961 1.00 1.05 O ATOM 0 H TYR A 47 5.988 5.663 -7.856 1.00 4.23 H new ATOM 0 HA TYR A 47 6.717 8.378 -7.939 1.00 1.44 H new ATOM 0 HB2 TYR A 47 4.617 6.755 -6.518 1.00 71.11 H new ATOM 0 HB3 TYR A 47 4.904 8.391 -5.960 1.00 71.11 H new ATOM 0 HD1 TYR A 47 3.649 6.353 -8.775 1.00 72.33 H new ATOM 0 HD2 TYR A 47 4.299 10.332 -7.377 1.00 4.00 H new ATOM 0 HE1 TYR A 47 2.208 7.219 -10.555 1.00 3.32 H new ATOM 0 HE2 TYR A 47 2.845 11.189 -9.157 1.00 14.23 H new ATOM 0 HH TYR A 47 1.564 10.714 -10.895 1.00 1.05 H new ATOM 758 N ILE A 48 7.443 6.830 -5.049 1.00 64.30 N ATOM 759 CA ILE A 48 8.279 6.939 -3.821 1.00 71.33 C ATOM 760 C ILE A 48 9.768 7.119 -4.213 1.00 40.22 C ATOM 761 O ILE A 48 10.514 7.856 -3.563 1.00 32.33 O ATOM 762 CB ILE A 48 8.150 5.676 -2.875 1.00 20.14 C ATOM 763 CG1 ILE A 48 6.662 5.361 -2.519 1.00 3.02 C ATOM 764 CG2 ILE A 48 8.995 5.849 -1.578 1.00 41.04 C ATOM 765 CD1 ILE A 48 6.455 4.121 -1.648 1.00 20.42 C ATOM 0 H ILE A 48 6.930 5.952 -5.126 1.00 64.30 H new ATOM 0 HA ILE A 48 7.914 7.806 -3.270 1.00 71.33 H new ATOM 0 HB ILE A 48 8.545 4.826 -3.432 1.00 20.14 H new ATOM 0 HG12 ILE A 48 6.237 6.223 -2.005 1.00 3.02 H new ATOM 0 HG13 ILE A 48 6.102 5.234 -3.445 1.00 3.02 H new ATOM 0 HG21 ILE A 48 8.884 4.964 -0.951 1.00 41.04 H new ATOM 0 HG22 ILE A 48 10.045 5.977 -1.842 1.00 41.04 H new ATOM 0 HG23 ILE A 48 8.648 6.727 -1.032 1.00 41.04 H new ATOM 0 HD11 ILE A 48 5.391 3.985 -1.455 1.00 20.42 H new ATOM 0 HD12 ILE A 48 6.845 3.244 -2.165 1.00 20.42 H new ATOM 0 HD13 ILE A 48 6.982 4.249 -0.702 1.00 20.42 H new ATOM 777 N LYS A 49 10.158 6.447 -5.305 1.00 31.51 N ATOM 778 CA LYS A 49 11.509 6.545 -5.886 1.00 14.32 C ATOM 779 C LYS A 49 11.783 7.959 -6.459 1.00 70.02 C ATOM 780 O LYS A 49 12.918 8.446 -6.420 1.00 44.00 O ATOM 781 CB LYS A 49 11.660 5.456 -6.988 1.00 25.24 C ATOM 782 CG LYS A 49 13.052 5.382 -7.653 1.00 73.24 C ATOM 783 CD LYS A 49 13.185 4.210 -8.664 1.00 41.41 C ATOM 784 CE LYS A 49 13.033 2.829 -8.000 1.00 5.51 C ATOM 785 NZ LYS A 49 13.334 1.709 -8.937 1.00 61.01 N ATOM 0 H LYS A 49 9.542 5.815 -5.816 1.00 31.51 H new ATOM 0 HA LYS A 49 12.247 6.377 -5.102 1.00 14.32 H new ATOM 0 HB2 LYS A 49 11.432 4.484 -6.550 1.00 25.24 H new ATOM 0 HB3 LYS A 49 10.915 5.639 -7.762 1.00 25.24 H new ATOM 0 HG2 LYS A 49 13.252 6.322 -8.168 1.00 73.24 H new ATOM 0 HG3 LYS A 49 13.812 5.274 -6.879 1.00 73.24 H new ATOM 0 HD2 LYS A 49 12.429 4.319 -9.442 1.00 41.41 H new ATOM 0 HD3 LYS A 49 14.157 4.267 -9.154 1.00 41.41 H new ATOM 0 HE2 LYS A 49 13.699 2.768 -7.140 1.00 5.51 H new ATOM 0 HE3 LYS A 49 12.016 2.720 -7.624 1.00 5.51 H new ATOM 0 HZ1 LYS A 49 13.217 0.802 -8.442 1.00 61.01 H new ATOM 0 HZ2 LYS A 49 12.682 1.749 -9.746 1.00 61.01 H new ATOM 0 HZ3 LYS A 49 14.313 1.794 -9.277 1.00 61.01 H new ATOM 799 N LYS A 50 10.726 8.614 -6.974 1.00 2.34 N ATOM 800 CA LYS A 50 10.834 9.904 -7.686 1.00 14.24 C ATOM 801 C LYS A 50 10.798 11.113 -6.721 1.00 0.03 C ATOM 802 O LYS A 50 11.647 12.013 -6.815 1.00 22.45 O ATOM 803 CB LYS A 50 9.685 10.014 -8.720 1.00 4.04 C ATOM 804 CG LYS A 50 9.828 11.184 -9.720 1.00 60.24 C ATOM 805 CD LYS A 50 8.655 11.269 -10.723 1.00 5.52 C ATOM 806 CE LYS A 50 8.359 9.930 -11.426 1.00 44.43 C ATOM 807 NZ LYS A 50 9.560 9.354 -12.093 1.00 35.43 N ATOM 0 H LYS A 50 9.770 8.264 -6.909 1.00 2.34 H new ATOM 0 HA LYS A 50 11.800 9.928 -8.191 1.00 14.24 H new ATOM 0 HB2 LYS A 50 9.627 9.080 -9.280 1.00 4.04 H new ATOM 0 HB3 LYS A 50 8.742 10.124 -8.185 1.00 4.04 H new ATOM 0 HG2 LYS A 50 9.894 12.121 -9.167 1.00 60.24 H new ATOM 0 HG3 LYS A 50 10.762 11.072 -10.271 1.00 60.24 H new ATOM 0 HD2 LYS A 50 7.760 11.602 -10.198 1.00 5.52 H new ATOM 0 HD3 LYS A 50 8.883 12.024 -11.475 1.00 5.52 H new ATOM 0 HE2 LYS A 50 7.977 9.217 -10.695 1.00 44.43 H new ATOM 0 HE3 LYS A 50 7.573 10.079 -12.167 1.00 44.43 H new ATOM 0 HZ1 LYS A 50 9.291 8.490 -12.607 1.00 35.43 H new ATOM 0 HZ2 LYS A 50 9.951 10.047 -12.762 1.00 35.43 H new ATOM 0 HZ3 LYS A 50 10.277 9.122 -11.376 1.00 35.43 H new ATOM 821 N GLN A 51 9.815 11.126 -5.792 1.00 15.40 N ATOM 822 CA GLN A 51 9.653 12.225 -4.814 1.00 23.53 C ATOM 823 C GLN A 51 10.646 12.054 -3.654 1.00 52.42 C ATOM 824 O GLN A 51 11.171 13.049 -3.139 1.00 40.31 O ATOM 825 CB GLN A 51 8.160 12.396 -4.340 1.00 53.34 C ATOM 826 CG GLN A 51 7.396 11.122 -3.885 1.00 62.34 C ATOM 827 CD GLN A 51 7.614 10.702 -2.430 1.00 21.04 C ATOM 828 OE1 GLN A 51 8.504 9.914 -2.106 1.00 2.31 O ATOM 829 NE2 GLN A 51 6.796 11.223 -1.541 1.00 3.13 N ATOM 0 H GLN A 51 9.120 10.385 -5.700 1.00 15.40 H new ATOM 0 HA GLN A 51 9.895 13.164 -5.312 1.00 23.53 H new ATOM 0 HB2 GLN A 51 8.150 13.106 -3.513 1.00 53.34 H new ATOM 0 HB3 GLN A 51 7.599 12.850 -5.157 1.00 53.34 H new ATOM 0 HG2 GLN A 51 6.330 11.285 -4.041 1.00 62.34 H new ATOM 0 HG3 GLN A 51 7.690 10.294 -4.531 1.00 62.34 H new ATOM 0 HE21 GLN A 51 6.068 11.873 -1.837 1.00 3.13 H new ATOM 0 HE22 GLN A 51 6.890 10.977 -0.556 1.00 3.13 H new ATOM 838 N GLY A 52 10.895 10.776 -3.281 1.00 63.11 N ATOM 839 CA GLY A 52 11.930 10.391 -2.309 1.00 74.02 C ATOM 840 C GLY A 52 11.900 11.176 -1.017 1.00 1.42 C ATOM 841 O GLY A 52 12.915 11.748 -0.622 1.00 12.45 O ATOM 0 H GLY A 52 10.375 9.981 -3.653 1.00 63.11 H new ATOM 0 HA2 GLY A 52 11.818 9.332 -2.078 1.00 74.02 H new ATOM 0 HA3 GLY A 52 12.909 10.515 -2.772 1.00 74.02 H new ATOM 845 N CYS A 53 10.722 11.249 -0.387 1.00 30.11 N ATOM 846 CA CYS A 53 10.550 11.995 0.863 1.00 51.50 C ATOM 847 C CYS A 53 11.232 11.257 2.037 1.00 2.42 C ATOM 848 O CYS A 53 11.064 10.036 2.193 1.00 44.21 O ATOM 849 CB CYS A 53 9.061 12.238 1.140 1.00 21.50 C ATOM 850 SG CYS A 53 8.260 13.293 -0.097 1.00 42.21 S ATOM 0 H CYS A 53 9.871 10.799 -0.725 1.00 30.11 H new ATOM 0 HA CYS A 53 11.033 12.967 0.760 1.00 51.50 H new ATOM 0 HB2 CYS A 53 8.545 11.279 1.177 1.00 21.50 H new ATOM 0 HB3 CYS A 53 8.952 12.697 2.123 1.00 21.50 H new ATOM 0 HG CYS A 53 7.290 13.955 0.460 1.00 42.21 H new ATOM 856 N LYS A 54 11.997 12.039 2.830 1.00 40.13 N ATOM 857 CA LYS A 54 12.736 11.586 4.029 1.00 61.21 C ATOM 858 C LYS A 54 11.819 10.813 5.008 1.00 20.14 C ATOM 859 O LYS A 54 12.240 9.827 5.623 1.00 63.10 O ATOM 860 CB LYS A 54 13.377 12.838 4.708 1.00 62.11 C ATOM 861 CG LYS A 54 14.122 12.591 6.039 1.00 11.41 C ATOM 862 CD LYS A 54 15.295 11.600 5.910 1.00 2.43 C ATOM 863 CE LYS A 54 16.049 11.397 7.236 1.00 50.54 C ATOM 864 NZ LYS A 54 15.156 10.913 8.324 1.00 13.24 N ATOM 0 H LYS A 54 12.121 13.035 2.647 1.00 40.13 H new ATOM 0 HA LYS A 54 13.519 10.887 3.734 1.00 61.21 H new ATOM 0 HB2 LYS A 54 14.076 13.288 4.003 1.00 62.11 H new ATOM 0 HB3 LYS A 54 12.590 13.570 4.888 1.00 62.11 H new ATOM 0 HG2 LYS A 54 14.499 13.541 6.417 1.00 11.41 H new ATOM 0 HG3 LYS A 54 13.415 12.212 6.777 1.00 11.41 H new ATOM 0 HD2 LYS A 54 14.917 10.639 5.561 1.00 2.43 H new ATOM 0 HD3 LYS A 54 15.990 11.963 5.153 1.00 2.43 H new ATOM 0 HE2 LYS A 54 16.857 10.681 7.086 1.00 50.54 H new ATOM 0 HE3 LYS A 54 16.509 12.338 7.538 1.00 50.54 H new ATOM 0 HZ1 LYS A 54 15.729 10.646 9.150 1.00 13.24 H new ATOM 0 HZ2 LYS A 54 14.494 11.669 8.592 1.00 13.24 H new ATOM 0 HZ3 LYS A 54 14.621 10.085 7.992 1.00 13.24 H new ATOM 878 N ARG A 55 10.559 11.269 5.117 1.00 54.14 N ATOM 879 CA ARG A 55 9.509 10.556 5.869 1.00 45.54 C ATOM 880 C ARG A 55 8.351 10.256 4.906 1.00 41.43 C ATOM 881 O ARG A 55 7.782 11.181 4.318 1.00 32.54 O ATOM 882 CB ARG A 55 9.041 11.431 7.071 1.00 62.14 C ATOM 883 CG ARG A 55 8.276 10.694 8.200 1.00 45.13 C ATOM 884 CD ARG A 55 9.179 9.748 9.026 1.00 71.44 C ATOM 885 NE ARG A 55 9.462 8.480 8.330 1.00 45.51 N ATOM 886 CZ ARG A 55 10.677 7.928 8.127 1.00 20.44 C ATOM 887 NH1 ARG A 55 11.796 8.514 8.555 1.00 21.23 N ATOM 888 NH2 ARG A 55 10.752 6.746 7.528 1.00 54.35 N ATOM 0 H ARG A 55 10.240 12.138 4.689 1.00 54.14 H new ATOM 0 HA ARG A 55 9.888 9.617 6.273 1.00 45.54 H new ATOM 0 HB2 ARG A 55 9.918 11.910 7.508 1.00 62.14 H new ATOM 0 HB3 ARG A 55 8.402 12.226 6.687 1.00 62.14 H new ATOM 0 HG2 ARG A 55 7.825 11.430 8.866 1.00 45.13 H new ATOM 0 HG3 ARG A 55 7.460 10.118 7.762 1.00 45.13 H new ATOM 0 HD2 ARG A 55 10.119 10.253 9.249 1.00 71.44 H new ATOM 0 HD3 ARG A 55 8.698 9.534 9.980 1.00 71.44 H new ATOM 0 HE ARG A 55 8.659 7.968 7.965 1.00 45.51 H new ATOM 0 HH11 ARG A 55 11.748 9.404 9.051 1.00 21.23 H new ATOM 0 HH12 ARG A 55 12.700 8.072 8.386 1.00 21.23 H new ATOM 0 HH21 ARG A 55 9.900 6.270 7.230 1.00 54.35 H new ATOM 0 HH22 ARG A 55 11.661 6.313 7.366 1.00 54.35 H new ATOM 902 N SER A 56 8.031 8.964 4.727 1.00 42.41 N ATOM 903 CA SER A 56 6.989 8.504 3.788 1.00 33.25 C ATOM 904 C SER A 56 6.172 7.348 4.399 1.00 33.12 C ATOM 905 O SER A 56 6.738 6.439 5.020 1.00 71.04 O ATOM 906 CB SER A 56 7.646 8.103 2.442 1.00 20.41 C ATOM 907 OG SER A 56 8.788 7.287 2.643 1.00 31.02 O ATOM 0 H SER A 56 8.489 8.204 5.231 1.00 42.41 H new ATOM 0 HA SER A 56 6.289 9.317 3.596 1.00 33.25 H new ATOM 0 HB2 SER A 56 6.921 7.570 1.827 1.00 20.41 H new ATOM 0 HB3 SER A 56 7.931 9.001 1.894 1.00 20.41 H new ATOM 0 HG SER A 56 9.178 7.050 1.776 1.00 31.02 H new ATOM 913 N ARG A 57 4.847 7.374 4.174 1.00 24.21 N ATOM 914 CA ARG A 57 3.883 6.404 4.739 1.00 33.21 C ATOM 915 C ARG A 57 2.875 5.992 3.653 1.00 11.41 C ATOM 916 O ARG A 57 2.546 6.800 2.783 1.00 52.34 O ATOM 917 CB ARG A 57 3.148 7.034 5.964 1.00 14.43 C ATOM 918 CG ARG A 57 2.164 6.087 6.695 1.00 40.13 C ATOM 919 CD ARG A 57 1.626 6.673 8.015 1.00 70.10 C ATOM 920 NE ARG A 57 0.750 7.845 7.832 1.00 24.31 N ATOM 921 CZ ARG A 57 0.364 8.686 8.818 1.00 21.20 C ATOM 922 NH1 ARG A 57 0.772 8.505 10.079 1.00 75.24 N ATOM 923 NH2 ARG A 57 -0.451 9.696 8.546 1.00 43.44 N ATOM 0 H ARG A 57 4.405 8.080 3.585 1.00 24.21 H new ATOM 0 HA ARG A 57 4.416 5.516 5.079 1.00 33.21 H new ATOM 0 HB2 ARG A 57 3.895 7.379 6.679 1.00 14.43 H new ATOM 0 HB3 ARG A 57 2.599 7.913 5.627 1.00 14.43 H new ATOM 0 HG2 ARG A 57 1.325 5.865 6.035 1.00 40.13 H new ATOM 0 HG3 ARG A 57 2.666 5.142 6.902 1.00 40.13 H new ATOM 0 HD2 ARG A 57 1.074 5.898 8.548 1.00 70.10 H new ATOM 0 HD3 ARG A 57 2.468 6.956 8.646 1.00 70.10 H new ATOM 0 HE ARG A 57 0.409 8.036 6.890 1.00 24.31 H new ATOM 0 HH11 ARG A 57 1.384 7.723 10.310 1.00 75.24 H new ATOM 0 HH12 ARG A 57 0.471 9.149 10.810 1.00 75.24 H new ATOM 0 HH21 ARG A 57 -0.787 9.838 7.593 1.00 43.44 H new ATOM 0 HH22 ARG A 57 -0.742 10.331 9.289 1.00 43.44 H new ATOM 937 N THR A 58 2.408 4.732 3.704 1.00 74.01 N ATOM 938 CA THR A 58 1.410 4.192 2.764 1.00 41.14 C ATOM 939 C THR A 58 0.334 3.411 3.549 1.00 32.22 C ATOM 940 O THR A 58 0.668 2.541 4.359 1.00 54.12 O ATOM 941 CB THR A 58 2.099 3.255 1.716 1.00 63.41 C ATOM 942 OG1 THR A 58 3.168 3.963 1.062 1.00 43.11 O ATOM 943 CG2 THR A 58 1.114 2.721 0.652 1.00 24.41 C ATOM 0 H THR A 58 2.714 4.056 4.403 1.00 74.01 H new ATOM 0 HA THR A 58 0.939 5.018 2.230 1.00 41.14 H new ATOM 0 HB THR A 58 2.486 2.395 2.263 1.00 63.41 H new ATOM 0 HG1 THR A 58 3.897 4.116 1.699 1.00 43.11 H new ATOM 0 HG21 THR A 58 1.648 2.077 -0.047 1.00 24.41 H new ATOM 0 HG22 THR A 58 0.325 2.150 1.141 1.00 24.41 H new ATOM 0 HG23 THR A 58 0.674 3.559 0.111 1.00 24.41 H new ATOM 951 N SER A 59 -0.947 3.741 3.310 1.00 40.11 N ATOM 952 CA SER A 59 -2.100 3.077 3.948 1.00 43.22 C ATOM 953 C SER A 59 -3.034 2.512 2.863 1.00 33.04 C ATOM 954 O SER A 59 -3.540 3.269 2.038 1.00 34.42 O ATOM 955 CB SER A 59 -2.859 4.098 4.828 1.00 34.11 C ATOM 956 OG SER A 59 -1.997 4.703 5.779 1.00 23.32 O ATOM 0 H SER A 59 -1.215 4.483 2.663 1.00 40.11 H new ATOM 0 HA SER A 59 -1.751 2.257 4.576 1.00 43.22 H new ATOM 0 HB2 SER A 59 -3.303 4.867 4.196 1.00 34.11 H new ATOM 0 HB3 SER A 59 -3.679 3.598 5.344 1.00 34.11 H new ATOM 0 HG SER A 59 -2.504 5.344 6.319 1.00 23.32 H new ATOM 962 N ILE A 60 -3.256 1.190 2.875 1.00 2.53 N ATOM 963 CA ILE A 60 -4.156 0.495 1.922 1.00 62.44 C ATOM 964 C ILE A 60 -5.393 -0.004 2.681 1.00 61.11 C ATOM 965 O ILE A 60 -5.240 -0.599 3.747 1.00 64.44 O ATOM 966 CB ILE A 60 -3.423 -0.729 1.237 1.00 51.23 C ATOM 967 CG1 ILE A 60 -2.146 -0.250 0.479 1.00 64.51 C ATOM 968 CG2 ILE A 60 -4.367 -1.517 0.292 1.00 71.44 C ATOM 969 CD1 ILE A 60 -1.346 -1.360 -0.180 1.00 1.15 C ATOM 0 H ILE A 60 -2.817 0.562 3.548 1.00 2.53 H new ATOM 0 HA ILE A 60 -4.449 1.195 1.140 1.00 62.44 H new ATOM 0 HB ILE A 60 -3.120 -1.414 2.029 1.00 51.23 H new ATOM 0 HG12 ILE A 60 -2.442 0.469 -0.285 1.00 64.51 H new ATOM 0 HG13 ILE A 60 -1.500 0.278 1.181 1.00 64.51 H new ATOM 0 HG21 ILE A 60 -3.822 -2.348 -0.156 1.00 71.44 H new ATOM 0 HG22 ILE A 60 -5.213 -1.903 0.861 1.00 71.44 H new ATOM 0 HG23 ILE A 60 -4.730 -0.855 -0.494 1.00 71.44 H new ATOM 0 HD11 ILE A 60 -0.478 -0.934 -0.682 1.00 1.15 H new ATOM 0 HD12 ILE A 60 -1.015 -2.069 0.578 1.00 1.15 H new ATOM 0 HD13 ILE A 60 -1.971 -1.875 -0.910 1.00 1.15 H new ATOM 981 N THR A 61 -6.605 0.233 2.131 1.00 45.22 N ATOM 982 CA THR A 61 -7.872 -0.172 2.770 1.00 43.44 C ATOM 983 C THR A 61 -7.927 -1.701 2.969 1.00 72.31 C ATOM 984 O THR A 61 -8.002 -2.470 2.005 1.00 20.13 O ATOM 985 CB THR A 61 -9.098 0.321 1.943 1.00 32.44 C ATOM 986 OG1 THR A 61 -9.045 1.756 1.827 1.00 22.44 O ATOM 987 CG2 THR A 61 -10.453 -0.091 2.560 1.00 55.31 C ATOM 0 H THR A 61 -6.730 0.708 1.237 1.00 45.22 H new ATOM 0 HA THR A 61 -7.915 0.299 3.752 1.00 43.44 H new ATOM 0 HB THR A 61 -9.036 -0.155 0.964 1.00 32.44 H new ATOM 0 HG1 THR A 61 -8.168 2.024 1.482 1.00 22.44 H new ATOM 0 HG21 THR A 61 -11.265 0.283 1.937 1.00 55.31 H new ATOM 0 HG22 THR A 61 -10.511 -1.178 2.618 1.00 55.31 H new ATOM 0 HG23 THR A 61 -10.540 0.331 3.561 1.00 55.31 H new ATOM 995 N ALA A 62 -7.837 -2.099 4.241 1.00 13.51 N ATOM 996 CA ALA A 62 -7.863 -3.487 4.689 1.00 21.11 C ATOM 997 C ALA A 62 -8.632 -3.517 6.005 1.00 31.15 C ATOM 998 O ALA A 62 -8.116 -3.041 7.017 1.00 62.31 O ATOM 999 CB ALA A 62 -6.427 -4.008 4.867 1.00 3.34 C ATOM 0 H ALA A 62 -7.741 -1.437 5.011 1.00 13.51 H new ATOM 0 HA ALA A 62 -8.350 -4.132 3.958 1.00 21.11 H new ATOM 0 HB1 ALA A 62 -6.455 -5.045 5.202 1.00 3.34 H new ATOM 0 HB2 ALA A 62 -5.898 -3.948 3.916 1.00 3.34 H new ATOM 0 HB3 ALA A 62 -5.909 -3.401 5.610 1.00 3.34 H new ATOM 1005 N ARG A 63 -9.887 -4.002 5.987 1.00 25.31 N ATOM 1006 CA ARG A 63 -10.758 -3.981 7.187 1.00 52.51 C ATOM 1007 C ARG A 63 -10.900 -5.370 7.827 1.00 62.35 C ATOM 1008 O ARG A 63 -11.154 -5.468 9.033 1.00 2.03 O ATOM 1009 CB ARG A 63 -12.154 -3.336 6.917 1.00 75.30 C ATOM 1010 CG ARG A 63 -12.937 -3.835 5.681 1.00 11.04 C ATOM 1011 CD ARG A 63 -12.513 -3.156 4.358 1.00 33.33 C ATOM 1012 NE ARG A 63 -13.481 -3.431 3.283 1.00 33.42 N ATOM 1013 CZ ARG A 63 -13.220 -3.421 1.969 1.00 32.04 C ATOM 1014 NH1 ARG A 63 -11.993 -3.175 1.504 1.00 41.21 N ATOM 1015 NH2 ARG A 63 -14.207 -3.646 1.110 1.00 71.10 N ATOM 0 H ARG A 63 -10.323 -4.412 5.161 1.00 25.31 H new ATOM 0 HA ARG A 63 -10.250 -3.338 7.906 1.00 52.51 H new ATOM 0 HB2 ARG A 63 -12.776 -3.496 7.798 1.00 75.30 H new ATOM 0 HB3 ARG A 63 -12.015 -2.260 6.816 1.00 75.30 H new ATOM 0 HG2 ARG A 63 -12.800 -4.912 5.586 1.00 11.04 H new ATOM 0 HG3 ARG A 63 -14.001 -3.662 5.842 1.00 11.04 H new ATOM 0 HD2 ARG A 63 -12.430 -2.080 4.509 1.00 33.33 H new ATOM 0 HD3 ARG A 63 -11.527 -3.514 4.063 1.00 33.33 H new ATOM 0 HE ARG A 63 -14.437 -3.649 3.564 1.00 33.42 H new ATOM 0 HH11 ARG A 63 -11.229 -2.989 2.154 1.00 41.21 H new ATOM 0 HH12 ARG A 63 -11.819 -3.173 0.499 1.00 41.21 H new ATOM 0 HH21 ARG A 63 -15.151 -3.824 1.453 1.00 71.10 H new ATOM 0 HH22 ARG A 63 -14.021 -3.641 0.107 1.00 71.10 H new ATOM 1029 N THR A 64 -10.751 -6.434 7.028 1.00 42.52 N ATOM 1030 CA THR A 64 -10.680 -7.810 7.555 1.00 63.50 C ATOM 1031 C THR A 64 -9.211 -8.203 7.792 1.00 30.22 C ATOM 1032 O THR A 64 -8.288 -7.587 7.221 1.00 54.11 O ATOM 1033 CB THR A 64 -11.365 -8.854 6.604 1.00 12.14 C ATOM 1034 OG1 THR A 64 -10.667 -8.940 5.358 1.00 14.53 O ATOM 1035 CG2 THR A 64 -12.847 -8.506 6.346 1.00 24.34 C ATOM 0 H THR A 64 -10.677 -6.372 6.013 1.00 42.52 H new ATOM 0 HA THR A 64 -11.227 -7.824 8.497 1.00 63.50 H new ATOM 0 HB THR A 64 -11.324 -9.820 7.107 1.00 12.14 H new ATOM 0 HG1 THR A 64 -11.109 -9.597 4.780 1.00 14.53 H new ATOM 0 HG21 THR A 64 -13.286 -9.252 5.683 1.00 24.34 H new ATOM 0 HG22 THR A 64 -13.389 -8.497 7.292 1.00 24.34 H new ATOM 0 HG23 THR A 64 -12.914 -7.523 5.880 1.00 24.34 H new ATOM 1043 N LYS A 65 -9.010 -9.237 8.633 1.00 14.33 N ATOM 1044 CA LYS A 65 -7.681 -9.799 8.930 1.00 63.43 C ATOM 1045 C LYS A 65 -7.007 -10.333 7.648 1.00 14.23 C ATOM 1046 O LYS A 65 -5.807 -10.155 7.457 1.00 22.01 O ATOM 1047 CB LYS A 65 -7.798 -10.933 9.991 1.00 24.23 C ATOM 1048 CG LYS A 65 -8.325 -10.476 11.374 1.00 54.52 C ATOM 1049 CD LYS A 65 -8.495 -11.654 12.372 1.00 40.25 C ATOM 1050 CE LYS A 65 -9.597 -12.647 11.951 1.00 2.22 C ATOM 1051 NZ LYS A 65 -9.636 -13.860 12.826 1.00 23.33 N ATOM 0 H LYS A 65 -9.769 -9.706 9.126 1.00 14.33 H new ATOM 0 HA LYS A 65 -7.058 -9.001 9.334 1.00 63.43 H new ATOM 0 HB2 LYS A 65 -8.460 -11.707 9.603 1.00 24.23 H new ATOM 0 HB3 LYS A 65 -6.817 -11.389 10.124 1.00 24.23 H new ATOM 0 HG2 LYS A 65 -7.636 -9.744 11.797 1.00 54.52 H new ATOM 0 HG3 LYS A 65 -9.284 -9.974 11.245 1.00 54.52 H new ATOM 0 HD2 LYS A 65 -7.548 -12.187 12.461 1.00 40.25 H new ATOM 0 HD3 LYS A 65 -8.730 -11.256 13.359 1.00 40.25 H new ATOM 0 HE2 LYS A 65 -10.565 -12.147 11.984 1.00 2.22 H new ATOM 0 HE3 LYS A 65 -9.432 -12.953 10.918 1.00 2.22 H new ATOM 0 HZ1 LYS A 65 -10.392 -14.497 12.503 1.00 23.33 H new ATOM 0 HZ2 LYS A 65 -8.722 -14.354 12.775 1.00 23.33 H new ATOM 0 HZ3 LYS A 65 -9.821 -13.573 13.809 1.00 23.33 H new ATOM 1065 N LYS A 66 -7.835 -10.931 6.764 1.00 73.34 N ATOM 1066 CA LYS A 66 -7.387 -11.553 5.498 1.00 22.12 C ATOM 1067 C LYS A 66 -6.775 -10.507 4.545 1.00 64.10 C ATOM 1068 O LYS A 66 -5.705 -10.732 3.949 1.00 60.25 O ATOM 1069 CB LYS A 66 -8.576 -12.280 4.806 1.00 42.15 C ATOM 1070 CG LYS A 66 -9.308 -13.315 5.696 1.00 62.55 C ATOM 1071 CD LYS A 66 -10.316 -14.205 4.911 1.00 41.41 C ATOM 1072 CE LYS A 66 -9.653 -15.383 4.157 1.00 54.21 C ATOM 1073 NZ LYS A 66 -8.644 -14.960 3.142 1.00 42.43 N ATOM 0 H LYS A 66 -8.842 -10.996 6.910 1.00 73.34 H new ATOM 0 HA LYS A 66 -6.613 -12.282 5.738 1.00 22.12 H new ATOM 0 HB2 LYS A 66 -9.297 -11.533 4.473 1.00 42.15 H new ATOM 0 HB3 LYS A 66 -8.206 -12.785 3.914 1.00 42.15 H new ATOM 0 HG2 LYS A 66 -8.569 -13.955 6.178 1.00 62.55 H new ATOM 0 HG3 LYS A 66 -9.840 -12.789 6.489 1.00 62.55 H new ATOM 0 HD2 LYS A 66 -11.055 -14.601 5.607 1.00 41.41 H new ATOM 0 HD3 LYS A 66 -10.854 -13.584 4.195 1.00 41.41 H new ATOM 0 HE2 LYS A 66 -9.172 -16.040 4.881 1.00 54.21 H new ATOM 0 HE3 LYS A 66 -10.429 -15.967 3.662 1.00 54.21 H new ATOM 0 HZ1 LYS A 66 -8.494 -15.730 2.459 1.00 42.43 H new ATOM 0 HZ2 LYS A 66 -8.988 -14.116 2.641 1.00 42.43 H new ATOM 0 HZ3 LYS A 66 -7.746 -14.739 3.617 1.00 42.43 H new ATOM 1087 N GLU A 67 -7.468 -9.356 4.428 1.00 22.03 N ATOM 1088 CA GLU A 67 -6.983 -8.187 3.669 1.00 12.01 C ATOM 1089 C GLU A 67 -5.652 -7.681 4.249 1.00 42.04 C ATOM 1090 O GLU A 67 -4.707 -7.396 3.513 1.00 60.22 O ATOM 1091 CB GLU A 67 -8.023 -7.044 3.714 1.00 43.45 C ATOM 1092 CG GLU A 67 -9.326 -7.299 2.954 1.00 30.10 C ATOM 1093 CD GLU A 67 -10.322 -6.146 3.160 1.00 33.34 C ATOM 1094 OE1 GLU A 67 -10.142 -5.076 2.547 1.00 61.41 O ATOM 1095 OE2 GLU A 67 -11.245 -6.287 3.991 1.00 12.21 O ATOM 0 H GLU A 67 -8.381 -9.212 4.858 1.00 22.03 H new ATOM 0 HA GLU A 67 -6.831 -8.497 2.635 1.00 12.01 H new ATOM 0 HB2 GLU A 67 -8.267 -6.841 4.757 1.00 43.45 H new ATOM 0 HB3 GLU A 67 -7.561 -6.142 3.313 1.00 43.45 H new ATOM 0 HG2 GLU A 67 -9.114 -7.415 1.891 1.00 30.10 H new ATOM 0 HG3 GLU A 67 -9.772 -8.234 3.294 1.00 30.10 H new ATOM 1102 N ALA A 68 -5.604 -7.606 5.587 1.00 52.23 N ATOM 1103 CA ALA A 68 -4.428 -7.135 6.335 1.00 54.43 C ATOM 1104 C ALA A 68 -3.218 -8.082 6.194 1.00 35.53 C ATOM 1105 O ALA A 68 -2.099 -7.688 6.504 1.00 14.22 O ATOM 1106 CB ALA A 68 -4.797 -6.928 7.805 1.00 11.43 C ATOM 0 H ALA A 68 -6.386 -7.872 6.185 1.00 52.23 H new ATOM 0 HA ALA A 68 -4.122 -6.182 5.904 1.00 54.43 H new ATOM 0 HB1 ALA A 68 -3.922 -6.579 8.354 1.00 11.43 H new ATOM 0 HB2 ALA A 68 -5.592 -6.186 7.880 1.00 11.43 H new ATOM 0 HB3 ALA A 68 -5.140 -7.871 8.230 1.00 11.43 H new ATOM 1112 N GLU A 69 -3.461 -9.340 5.786 1.00 71.21 N ATOM 1113 CA GLU A 69 -2.383 -10.294 5.469 1.00 75.15 C ATOM 1114 C GLU A 69 -1.809 -10.025 4.061 1.00 3.22 C ATOM 1115 O GLU A 69 -0.608 -9.758 3.908 1.00 10.11 O ATOM 1116 CB GLU A 69 -2.887 -11.762 5.553 1.00 13.30 C ATOM 1117 CG GLU A 69 -3.405 -12.204 6.937 1.00 43.31 C ATOM 1118 CD GLU A 69 -2.384 -11.994 8.069 1.00 71.41 C ATOM 1119 OE1 GLU A 69 -1.325 -12.654 8.051 1.00 32.11 O ATOM 1120 OE2 GLU A 69 -2.629 -11.161 8.970 1.00 32.02 O ATOM 0 H GLU A 69 -4.400 -9.721 5.668 1.00 71.21 H new ATOM 0 HA GLU A 69 -1.595 -10.152 6.209 1.00 75.15 H new ATOM 0 HB2 GLU A 69 -3.687 -11.896 4.824 1.00 13.30 H new ATOM 0 HB3 GLU A 69 -2.073 -12.425 5.259 1.00 13.30 H new ATOM 0 HG2 GLU A 69 -4.314 -11.649 7.170 1.00 43.31 H new ATOM 0 HG3 GLU A 69 -3.677 -13.259 6.895 1.00 43.31 H new ATOM 1127 N LYS A 70 -2.687 -10.087 3.041 1.00 2.45 N ATOM 1128 CA LYS A 70 -2.256 -10.081 1.626 1.00 55.41 C ATOM 1129 C LYS A 70 -1.820 -8.679 1.134 1.00 44.30 C ATOM 1130 O LYS A 70 -0.793 -8.556 0.450 1.00 53.13 O ATOM 1131 CB LYS A 70 -3.359 -10.675 0.711 1.00 73.33 C ATOM 1132 CG LYS A 70 -4.708 -9.915 0.697 1.00 34.21 C ATOM 1133 CD LYS A 70 -5.728 -10.527 -0.296 1.00 15.12 C ATOM 1134 CE LYS A 70 -5.220 -10.537 -1.754 1.00 35.23 C ATOM 1135 NZ LYS A 70 -6.161 -11.258 -2.657 1.00 62.14 N ATOM 0 H LYS A 70 -3.698 -10.142 3.168 1.00 2.45 H new ATOM 0 HA LYS A 70 -1.372 -10.717 1.566 1.00 55.41 H new ATOM 0 HB2 LYS A 70 -2.976 -10.714 -0.309 1.00 73.33 H new ATOM 0 HB3 LYS A 70 -3.546 -11.703 1.021 1.00 73.33 H new ATOM 0 HG2 LYS A 70 -5.135 -9.922 1.700 1.00 34.21 H new ATOM 0 HG3 LYS A 70 -4.530 -8.872 0.433 1.00 34.21 H new ATOM 0 HD2 LYS A 70 -5.957 -11.548 0.010 1.00 15.12 H new ATOM 0 HD3 LYS A 70 -6.659 -9.963 -0.245 1.00 15.12 H new ATOM 0 HE2 LYS A 70 -5.093 -9.512 -2.103 1.00 35.23 H new ATOM 0 HE3 LYS A 70 -4.240 -11.011 -1.795 1.00 35.23 H new ATOM 0 HZ1 LYS A 70 -5.680 -11.484 -3.551 1.00 62.14 H new ATOM 0 HZ2 LYS A 70 -6.474 -12.138 -2.201 1.00 62.14 H new ATOM 0 HZ3 LYS A 70 -6.987 -10.656 -2.850 1.00 62.14 H new ATOM 1149 N PHE A 71 -2.599 -7.632 1.487 1.00 33.24 N ATOM 1150 CA PHE A 71 -2.299 -6.232 1.085 1.00 13.32 C ATOM 1151 C PHE A 71 -1.039 -5.725 1.797 1.00 45.34 C ATOM 1152 O PHE A 71 -0.318 -4.869 1.264 1.00 50.53 O ATOM 1153 CB PHE A 71 -3.499 -5.281 1.367 1.00 11.14 C ATOM 1154 CG PHE A 71 -4.812 -5.609 0.632 1.00 13.32 C ATOM 1155 CD1 PHE A 71 -4.845 -6.433 -0.503 1.00 14.22 C ATOM 1156 CD2 PHE A 71 -6.026 -5.080 1.082 1.00 11.22 C ATOM 1157 CE1 PHE A 71 -6.043 -6.714 -1.150 1.00 55.52 C ATOM 1158 CE2 PHE A 71 -7.217 -5.362 0.432 1.00 34.11 C ATOM 1159 CZ PHE A 71 -7.223 -6.179 -0.683 1.00 61.33 C ATOM 0 H PHE A 71 -3.443 -7.727 2.051 1.00 33.24 H new ATOM 0 HA PHE A 71 -2.122 -6.232 0.009 1.00 13.32 H new ATOM 0 HB2 PHE A 71 -3.696 -5.286 2.439 1.00 11.14 H new ATOM 0 HB3 PHE A 71 -3.202 -4.266 1.102 1.00 11.14 H new ATOM 0 HD1 PHE A 71 -3.925 -6.856 -0.880 1.00 14.22 H new ATOM 0 HD2 PHE A 71 -6.035 -4.440 1.952 1.00 11.22 H new ATOM 0 HE1 PHE A 71 -6.048 -7.353 -2.021 1.00 55.52 H new ATOM 0 HE2 PHE A 71 -8.143 -4.942 0.797 1.00 34.11 H new ATOM 0 HZ PHE A 71 -8.152 -6.398 -1.188 1.00 61.33 H new ATOM 1169 N ALA A 72 -0.789 -6.271 3.010 1.00 10.33 N ATOM 1170 CA ALA A 72 0.462 -6.044 3.742 1.00 23.31 C ATOM 1171 C ALA A 72 1.643 -6.565 2.930 1.00 71.23 C ATOM 1172 O ALA A 72 2.523 -5.798 2.587 1.00 65.45 O ATOM 1173 CB ALA A 72 0.440 -6.720 5.118 1.00 14.30 C ATOM 0 H ALA A 72 -1.449 -6.876 3.499 1.00 10.33 H new ATOM 0 HA ALA A 72 0.568 -4.970 3.896 1.00 23.31 H new ATOM 0 HB1 ALA A 72 1.383 -6.531 5.632 1.00 14.30 H new ATOM 0 HB2 ALA A 72 -0.382 -6.316 5.709 1.00 14.30 H new ATOM 0 HB3 ALA A 72 0.304 -7.794 4.993 1.00 14.30 H new ATOM 1179 N ALA A 73 1.593 -7.869 2.582 1.00 71.42 N ATOM 1180 CA ALA A 73 2.678 -8.575 1.859 1.00 34.34 C ATOM 1181 C ALA A 73 3.158 -7.798 0.612 1.00 45.33 C ATOM 1182 O ALA A 73 4.357 -7.531 0.457 1.00 30.23 O ATOM 1183 CB ALA A 73 2.207 -9.983 1.465 1.00 73.52 C ATOM 0 H ALA A 73 0.795 -8.467 2.795 1.00 71.42 H new ATOM 0 HA ALA A 73 3.531 -8.648 2.534 1.00 34.34 H new ATOM 0 HB1 ALA A 73 3.007 -10.499 0.934 1.00 73.52 H new ATOM 0 HB2 ALA A 73 1.947 -10.544 2.363 1.00 73.52 H new ATOM 0 HB3 ALA A 73 1.333 -9.907 0.819 1.00 73.52 H new ATOM 1189 N ILE A 74 2.186 -7.368 -0.213 1.00 71.02 N ATOM 1190 CA ILE A 74 2.446 -6.599 -1.447 1.00 63.34 C ATOM 1191 C ILE A 74 3.108 -5.236 -1.108 1.00 11.31 C ATOM 1192 O ILE A 74 4.079 -4.832 -1.755 1.00 2.24 O ATOM 1193 CB ILE A 74 1.110 -6.370 -2.261 1.00 15.24 C ATOM 1194 CG1 ILE A 74 0.390 -7.733 -2.545 1.00 14.55 C ATOM 1195 CG2 ILE A 74 1.387 -5.611 -3.586 1.00 75.42 C ATOM 1196 CD1 ILE A 74 -0.967 -7.612 -3.231 1.00 54.23 C ATOM 0 H ILE A 74 1.196 -7.544 -0.044 1.00 71.02 H new ATOM 0 HA ILE A 74 3.131 -7.177 -2.068 1.00 63.34 H new ATOM 0 HB ILE A 74 0.449 -5.754 -1.651 1.00 15.24 H new ATOM 0 HG12 ILE A 74 1.041 -8.349 -3.166 1.00 14.55 H new ATOM 0 HG13 ILE A 74 0.258 -8.261 -1.601 1.00 14.55 H new ATOM 0 HG21 ILE A 74 0.451 -5.467 -4.126 1.00 75.42 H new ATOM 0 HG22 ILE A 74 1.830 -4.640 -3.363 1.00 75.42 H new ATOM 0 HG23 ILE A 74 2.075 -6.192 -4.201 1.00 75.42 H new ATOM 0 HD11 ILE A 74 -1.387 -8.606 -3.385 1.00 54.23 H new ATOM 0 HD12 ILE A 74 -1.640 -7.027 -2.605 1.00 54.23 H new ATOM 0 HD13 ILE A 74 -0.845 -7.116 -4.194 1.00 54.23 H new ATOM 1208 N LEU A 75 2.593 -4.573 -0.043 1.00 10.13 N ATOM 1209 CA LEU A 75 3.086 -3.256 0.433 1.00 74.22 C ATOM 1210 C LEU A 75 4.556 -3.378 0.938 1.00 75.41 C ATOM 1211 O LEU A 75 5.381 -2.481 0.705 1.00 44.34 O ATOM 1212 CB LEU A 75 2.137 -2.706 1.565 1.00 42.24 C ATOM 1213 CG LEU A 75 1.882 -1.158 1.616 1.00 42.12 C ATOM 1214 CD1 LEU A 75 0.944 -0.791 2.794 1.00 53.20 C ATOM 1215 CD2 LEU A 75 3.194 -0.351 1.673 1.00 52.10 C ATOM 0 H LEU A 75 1.820 -4.939 0.513 1.00 10.13 H new ATOM 0 HA LEU A 75 3.076 -2.548 -0.396 1.00 74.22 H new ATOM 0 HB2 LEU A 75 1.172 -3.202 1.463 1.00 42.24 H new ATOM 0 HB3 LEU A 75 2.551 -3.009 2.526 1.00 42.24 H new ATOM 0 HG LEU A 75 1.385 -0.883 0.686 1.00 42.12 H new ATOM 0 HD11 LEU A 75 0.782 0.287 2.808 1.00 53.20 H new ATOM 0 HD12 LEU A 75 -0.012 -1.300 2.670 1.00 53.20 H new ATOM 0 HD13 LEU A 75 1.401 -1.102 3.733 1.00 53.20 H new ATOM 0 HD21 LEU A 75 2.965 0.714 1.707 1.00 52.10 H new ATOM 0 HD22 LEU A 75 3.754 -0.630 2.565 1.00 52.10 H new ATOM 0 HD23 LEU A 75 3.792 -0.565 0.787 1.00 52.10 H new ATOM 1227 N ILE A 76 4.868 -4.516 1.605 1.00 3.14 N ATOM 1228 CA ILE A 76 6.221 -4.827 2.111 1.00 40.53 C ATOM 1229 C ILE A 76 7.209 -4.881 0.931 1.00 53.40 C ATOM 1230 O ILE A 76 8.289 -4.305 1.010 1.00 3.12 O ATOM 1231 CB ILE A 76 6.246 -6.197 2.943 1.00 20.34 C ATOM 1232 CG1 ILE A 76 5.883 -5.990 4.456 1.00 23.30 C ATOM 1233 CG2 ILE A 76 7.612 -6.932 2.848 1.00 13.51 C ATOM 1234 CD1 ILE A 76 4.564 -5.305 4.746 1.00 42.31 C ATOM 0 H ILE A 76 4.183 -5.245 1.806 1.00 3.14 H new ATOM 0 HA ILE A 76 6.522 -4.036 2.798 1.00 40.53 H new ATOM 0 HB ILE A 76 5.481 -6.819 2.478 1.00 20.34 H new ATOM 0 HG12 ILE A 76 5.875 -6.966 4.942 1.00 23.30 H new ATOM 0 HG13 ILE A 76 6.679 -5.409 4.922 1.00 23.30 H new ATOM 0 HG21 ILE A 76 7.571 -7.853 3.430 1.00 13.51 H new ATOM 0 HG22 ILE A 76 7.825 -7.171 1.806 1.00 13.51 H new ATOM 0 HG23 ILE A 76 8.399 -6.289 3.241 1.00 13.51 H new ATOM 0 HD11 ILE A 76 4.427 -5.220 5.824 1.00 42.31 H new ATOM 0 HD12 ILE A 76 4.565 -4.310 4.301 1.00 42.31 H new ATOM 0 HD13 ILE A 76 3.749 -5.891 4.322 1.00 42.31 H new ATOM 1246 N LYS A 77 6.795 -5.560 -0.163 1.00 11.40 N ATOM 1247 CA LYS A 77 7.616 -5.688 -1.389 1.00 23.12 C ATOM 1248 C LYS A 77 7.881 -4.313 -2.029 1.00 21.03 C ATOM 1249 O LYS A 77 9.016 -4.030 -2.417 1.00 60.21 O ATOM 1250 CB LYS A 77 6.951 -6.674 -2.415 1.00 54.24 C ATOM 1251 CG LYS A 77 7.284 -8.175 -2.185 1.00 22.42 C ATOM 1252 CD LYS A 77 6.951 -8.658 -0.756 1.00 33.44 C ATOM 1253 CE LYS A 77 7.391 -10.095 -0.476 1.00 0.00 C ATOM 1254 NZ LYS A 77 6.680 -11.082 -1.336 1.00 55.34 N ATOM 0 H LYS A 77 5.892 -6.030 -0.221 1.00 11.40 H new ATOM 0 HA LYS A 77 8.579 -6.109 -1.101 1.00 23.12 H new ATOM 0 HB2 LYS A 77 5.869 -6.545 -2.373 1.00 54.24 H new ATOM 0 HB3 LYS A 77 7.266 -6.396 -3.421 1.00 54.24 H new ATOM 0 HG2 LYS A 77 6.730 -8.778 -2.904 1.00 22.42 H new ATOM 0 HG3 LYS A 77 8.344 -8.340 -2.380 1.00 22.42 H new ATOM 0 HD2 LYS A 77 7.430 -7.994 -0.036 1.00 33.44 H new ATOM 0 HD3 LYS A 77 5.876 -8.579 -0.596 1.00 33.44 H new ATOM 0 HE2 LYS A 77 8.465 -10.182 -0.639 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.207 -10.331 0.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.011 -12.042 -1.110 1.00 55.34 H new ATOM 0 HZ2 LYS A 77 5.656 -11.019 -1.163 1.00 55.34 H new ATOM 0 HZ3 LYS A 77 6.875 -10.875 -2.336 1.00 55.34 H new ATOM 1268 N VAL A 78 6.836 -3.460 -2.071 1.00 61.02 N ATOM 1269 CA VAL A 78 6.931 -2.076 -2.610 1.00 31.53 C ATOM 1270 C VAL A 78 8.046 -1.283 -1.884 1.00 52.30 C ATOM 1271 O VAL A 78 8.934 -0.720 -2.529 1.00 52.14 O ATOM 1272 CB VAL A 78 5.544 -1.303 -2.507 1.00 31.20 C ATOM 1273 CG1 VAL A 78 5.665 0.181 -2.947 1.00 40.43 C ATOM 1274 CG2 VAL A 78 4.449 -2.029 -3.328 1.00 54.24 C ATOM 0 H VAL A 78 5.904 -3.704 -1.735 1.00 61.02 H new ATOM 0 HA VAL A 78 7.185 -2.156 -3.667 1.00 31.53 H new ATOM 0 HB VAL A 78 5.253 -1.305 -1.456 1.00 31.20 H new ATOM 0 HG11 VAL A 78 4.693 0.667 -2.859 1.00 40.43 H new ATOM 0 HG12 VAL A 78 6.385 0.692 -2.308 1.00 40.43 H new ATOM 0 HG13 VAL A 78 6.002 0.227 -3.983 1.00 40.43 H new ATOM 0 HG21 VAL A 78 3.509 -1.483 -3.243 1.00 54.24 H new ATOM 0 HG22 VAL A 78 4.749 -2.075 -4.375 1.00 54.24 H new ATOM 0 HG23 VAL A 78 4.317 -3.041 -2.944 1.00 54.24 H new ATOM 1284 N TYR A 79 8.014 -1.311 -0.536 1.00 43.02 N ATOM 1285 CA TYR A 79 9.015 -0.623 0.322 1.00 72.24 C ATOM 1286 C TYR A 79 10.402 -1.296 0.257 1.00 51.35 C ATOM 1287 O TYR A 79 11.423 -0.604 0.230 1.00 33.31 O ATOM 1288 CB TYR A 79 8.512 -0.553 1.802 1.00 14.35 C ATOM 1289 CG TYR A 79 7.742 0.730 2.161 1.00 43.45 C ATOM 1290 CD1 TYR A 79 6.598 1.111 1.457 1.00 3.40 C ATOM 1291 CD2 TYR A 79 8.164 1.560 3.212 1.00 22.51 C ATOM 1292 CE1 TYR A 79 5.906 2.263 1.789 1.00 41.25 C ATOM 1293 CE2 TYR A 79 7.470 2.707 3.544 1.00 65.05 C ATOM 1294 CZ TYR A 79 6.344 3.051 2.829 1.00 31.14 C ATOM 1295 OH TYR A 79 5.652 4.193 3.156 1.00 4.24 O ATOM 0 H TYR A 79 7.297 -1.808 -0.007 1.00 43.02 H new ATOM 0 HA TYR A 79 9.128 0.389 -0.065 1.00 72.24 H new ATOM 0 HB2 TYR A 79 7.869 -1.412 1.993 1.00 14.35 H new ATOM 0 HB3 TYR A 79 9.371 -0.643 2.468 1.00 14.35 H new ATOM 0 HD1 TYR A 79 6.247 0.497 0.640 1.00 3.40 H new ATOM 0 HD2 TYR A 79 9.049 1.296 3.772 1.00 22.51 H new ATOM 0 HE1 TYR A 79 5.024 2.543 1.233 1.00 41.25 H new ATOM 0 HE2 TYR A 79 7.808 3.330 4.359 1.00 65.05 H new ATOM 0 HH TYR A 79 6.212 4.763 3.724 1.00 4.24 H new ATOM 1305 N ALA A 80 10.420 -2.640 0.210 1.00 13.23 N ATOM 1306 CA ALA A 80 11.662 -3.438 0.317 1.00 15.20 C ATOM 1307 C ALA A 80 12.552 -3.278 -0.926 1.00 55.23 C ATOM 1308 O ALA A 80 13.778 -3.311 -0.820 1.00 72.11 O ATOM 1309 CB ALA A 80 11.343 -4.920 0.567 1.00 62.14 C ATOM 0 H ALA A 80 9.579 -3.205 0.097 1.00 13.23 H new ATOM 0 HA ALA A 80 12.219 -3.055 1.172 1.00 15.20 H new ATOM 0 HB1 ALA A 80 12.272 -5.485 0.642 1.00 62.14 H new ATOM 0 HB2 ALA A 80 10.782 -5.020 1.496 1.00 62.14 H new ATOM 0 HB3 ALA A 80 10.748 -5.309 -0.259 1.00 62.14 H new ATOM 1315 N GLU A 81 11.911 -3.090 -2.096 1.00 54.14 N ATOM 1316 CA GLU A 81 12.609 -2.856 -3.382 1.00 52.33 C ATOM 1317 C GLU A 81 13.226 -1.436 -3.429 1.00 3.34 C ATOM 1318 O GLU A 81 14.124 -1.167 -4.230 1.00 64.24 O ATOM 1319 CB GLU A 81 11.617 -3.061 -4.562 1.00 21.55 C ATOM 1320 CG GLU A 81 11.084 -4.508 -4.694 1.00 51.21 C ATOM 1321 CD GLU A 81 10.045 -4.679 -5.817 1.00 14.13 C ATOM 1322 OE1 GLU A 81 8.858 -4.342 -5.606 1.00 61.33 O ATOM 1323 OE2 GLU A 81 10.409 -5.131 -6.926 1.00 44.11 O ATOM 0 H GLU A 81 10.894 -3.096 -2.180 1.00 54.14 H new ATOM 0 HA GLU A 81 13.424 -3.575 -3.472 1.00 52.33 H new ATOM 0 HB2 GLU A 81 10.772 -2.384 -4.434 1.00 21.55 H new ATOM 0 HB3 GLU A 81 12.112 -2.781 -5.492 1.00 21.55 H new ATOM 0 HG2 GLU A 81 11.922 -5.180 -4.880 1.00 51.21 H new ATOM 0 HG3 GLU A 81 10.637 -4.810 -3.747 1.00 51.21 H new ATOM 1330 N LEU A 82 12.725 -0.546 -2.557 1.00 24.45 N ATOM 1331 CA LEU A 82 13.183 0.855 -2.447 1.00 30.40 C ATOM 1332 C LEU A 82 14.148 1.045 -1.257 1.00 61.14 C ATOM 1333 O LEU A 82 14.846 2.063 -1.175 1.00 33.12 O ATOM 1334 CB LEU A 82 11.934 1.762 -2.296 1.00 43.31 C ATOM 1335 CG LEU A 82 10.925 1.673 -3.480 1.00 12.35 C ATOM 1336 CD1 LEU A 82 9.626 2.438 -3.180 1.00 1.53 C ATOM 1337 CD2 LEU A 82 11.568 2.156 -4.795 1.00 14.52 C ATOM 0 H LEU A 82 11.981 -0.779 -1.899 1.00 24.45 H new ATOM 0 HA LEU A 82 13.738 1.127 -3.345 1.00 30.40 H new ATOM 0 HB2 LEU A 82 11.417 1.497 -1.374 1.00 43.31 H new ATOM 0 HB3 LEU A 82 12.262 2.796 -2.191 1.00 43.31 H new ATOM 0 HG LEU A 82 10.659 0.623 -3.603 1.00 12.35 H new ATOM 0 HD11 LEU A 82 8.949 2.352 -4.030 1.00 1.53 H new ATOM 0 HD12 LEU A 82 9.152 2.016 -2.294 1.00 1.53 H new ATOM 0 HD13 LEU A 82 9.855 3.489 -3.004 1.00 1.53 H new ATOM 0 HD21 LEU A 82 10.841 2.083 -5.604 1.00 14.52 H new ATOM 0 HD22 LEU A 82 11.886 3.193 -4.685 1.00 14.52 H new ATOM 0 HD23 LEU A 82 12.433 1.534 -5.027 1.00 14.52 H new ATOM 1349 N GLY A 83 14.150 0.073 -0.328 1.00 52.11 N ATOM 1350 CA GLY A 83 15.034 0.086 0.838 1.00 52.14 C ATOM 1351 C GLY A 83 14.317 -0.454 2.065 1.00 30.54 C ATOM 1352 O GLY A 83 13.567 -1.419 1.935 1.00 72.54 O ATOM 0 H GLY A 83 13.537 -0.741 -0.370 1.00 52.11 H new ATOM 0 HA2 GLY A 83 15.920 -0.515 0.635 1.00 52.14 H new ATOM 0 HA3 GLY A 83 15.376 1.103 1.029 1.00 52.14 H new ATOM 1403 N ILE A 87 10.276 -4.630 7.899 1.00 45.04 N ATOM 1404 CA ILE A 87 9.187 -3.635 7.848 1.00 52.35 C ATOM 1405 C ILE A 87 8.338 -3.657 9.137 1.00 13.43 C ATOM 1406 O ILE A 87 8.010 -4.731 9.657 1.00 12.40 O ATOM 1407 CB ILE A 87 8.265 -3.914 6.592 1.00 35.24 C ATOM 1408 CG1 ILE A 87 9.020 -3.620 5.249 1.00 2.24 C ATOM 1409 CG2 ILE A 87 6.926 -3.135 6.660 1.00 62.33 C ATOM 1410 CD1 ILE A 87 9.315 -2.153 4.990 1.00 24.21 C ATOM 0 HA ILE A 87 9.638 -2.647 7.761 1.00 52.35 H new ATOM 0 HB ILE A 87 8.019 -4.976 6.615 1.00 35.24 H new ATOM 0 HG12 ILE A 87 9.961 -4.170 5.250 1.00 2.24 H new ATOM 0 HG13 ILE A 87 8.425 -4.008 4.422 1.00 2.24 H new ATOM 0 HG21 ILE A 87 6.329 -3.360 5.776 1.00 62.33 H new ATOM 0 HG22 ILE A 87 6.377 -3.432 7.554 1.00 62.33 H new ATOM 0 HG23 ILE A 87 7.129 -2.065 6.698 1.00 62.33 H new ATOM 0 HD11 ILE A 87 9.838 -2.049 4.039 1.00 24.21 H new ATOM 0 HD12 ILE A 87 8.379 -1.595 4.952 1.00 24.21 H new ATOM 0 HD13 ILE A 87 9.939 -1.760 5.793 1.00 24.21 H new ATOM 1422 N ASN A 88 7.979 -2.450 9.636 1.00 71.52 N ATOM 1423 CA ASN A 88 7.028 -2.297 10.746 1.00 1.02 C ATOM 1424 C ASN A 88 5.614 -2.160 10.161 1.00 0.10 C ATOM 1425 O ASN A 88 5.299 -1.146 9.522 1.00 72.41 O ATOM 1426 CB ASN A 88 7.380 -1.057 11.616 1.00 33.11 C ATOM 1427 CG ASN A 88 6.570 -0.958 12.920 1.00 64.35 C ATOM 1428 OD1 ASN A 88 6.269 0.137 13.395 1.00 44.04 O ATOM 1429 ND2 ASN A 88 6.247 -2.092 13.535 1.00 72.40 N ATOM 0 H ASN A 88 8.341 -1.566 9.279 1.00 71.52 H new ATOM 0 HA ASN A 88 7.081 -3.173 11.392 1.00 1.02 H new ATOM 0 HB2 ASN A 88 8.442 -1.087 11.861 1.00 33.11 H new ATOM 0 HB3 ASN A 88 7.214 -0.154 11.028 1.00 33.11 H new ATOM 0 HD21 ASN A 88 5.739 -2.066 14.419 1.00 72.40 H new ATOM 0 HD22 ASN A 88 6.507 -2.988 13.122 1.00 72.40 H new ATOM 1436 N VAL A 89 4.798 -3.207 10.339 1.00 30.21 N ATOM 1437 CA VAL A 89 3.397 -3.234 9.876 1.00 11.02 C ATOM 1438 C VAL A 89 2.477 -2.805 11.028 1.00 31.11 C ATOM 1439 O VAL A 89 2.538 -3.392 12.114 1.00 54.32 O ATOM 1440 CB VAL A 89 2.972 -4.678 9.382 1.00 23.43 C ATOM 1441 CG1 VAL A 89 1.561 -4.671 8.734 1.00 54.55 C ATOM 1442 CG2 VAL A 89 4.032 -5.267 8.423 1.00 74.22 C ATOM 0 H VAL A 89 5.088 -4.064 10.809 1.00 30.21 H new ATOM 0 HA VAL A 89 3.305 -2.547 9.034 1.00 11.02 H new ATOM 0 HB VAL A 89 2.917 -5.324 10.258 1.00 23.43 H new ATOM 0 HG11 VAL A 89 1.305 -5.679 8.408 1.00 54.55 H new ATOM 0 HG12 VAL A 89 0.827 -4.329 9.464 1.00 54.55 H new ATOM 0 HG13 VAL A 89 1.559 -4.000 7.875 1.00 54.55 H new ATOM 0 HG21 VAL A 89 3.717 -6.259 8.098 1.00 74.22 H new ATOM 0 HG22 VAL A 89 4.138 -4.617 7.555 1.00 74.22 H new ATOM 0 HG23 VAL A 89 4.989 -5.341 8.940 1.00 74.22 H new ATOM 1452 N THR A 90 1.651 -1.776 10.799 1.00 21.53 N ATOM 1453 CA THR A 90 0.626 -1.344 11.756 1.00 54.15 C ATOM 1454 C THR A 90 -0.748 -1.373 11.064 1.00 23.15 C ATOM 1455 O THR A 90 -1.031 -0.564 10.178 1.00 12.12 O ATOM 1456 CB THR A 90 0.932 0.093 12.297 1.00 43.53 C ATOM 1457 OG1 THR A 90 2.257 0.131 12.857 1.00 31.01 O ATOM 1458 CG2 THR A 90 -0.086 0.552 13.362 1.00 23.42 C ATOM 0 H THR A 90 1.675 -1.220 9.944 1.00 21.53 H new ATOM 0 HA THR A 90 0.625 -2.025 12.607 1.00 54.15 H new ATOM 0 HB THR A 90 0.856 0.777 11.452 1.00 43.53 H new ATOM 0 HG1 THR A 90 2.445 1.032 13.193 1.00 31.01 H new ATOM 0 HG21 THR A 90 0.172 1.554 13.704 1.00 23.42 H new ATOM 0 HG22 THR A 90 -1.086 0.563 12.929 1.00 23.42 H new ATOM 0 HG23 THR A 90 -0.064 -0.136 14.207 1.00 23.42 H new ATOM 1466 N TRP A 91 -1.577 -2.352 11.445 1.00 53.30 N ATOM 1467 CA TRP A 91 -2.976 -2.445 11.019 1.00 41.11 C ATOM 1468 C TRP A 91 -3.861 -1.907 12.157 1.00 35.34 C ATOM 1469 O TRP A 91 -3.912 -2.504 13.239 1.00 1.44 O ATOM 1470 CB TRP A 91 -3.330 -3.919 10.674 1.00 43.42 C ATOM 1471 CG TRP A 91 -4.787 -4.154 10.305 1.00 52.10 C ATOM 1472 CD1 TRP A 91 -5.523 -3.469 9.381 1.00 11.33 C ATOM 1473 CD2 TRP A 91 -5.668 -5.163 10.828 1.00 14.10 C ATOM 1474 NE1 TRP A 91 -6.797 -3.963 9.330 1.00 42.34 N ATOM 1475 CE2 TRP A 91 -6.911 -5.006 10.189 1.00 13.42 C ATOM 1476 CE3 TRP A 91 -5.528 -6.180 11.772 1.00 72.04 C ATOM 1477 CZ2 TRP A 91 -8.000 -5.821 10.460 1.00 62.11 C ATOM 1478 CZ3 TRP A 91 -6.611 -6.996 12.040 1.00 72.31 C ATOM 1479 CH2 TRP A 91 -7.834 -6.810 11.388 1.00 35.02 C ATOM 0 H TRP A 91 -1.291 -3.110 12.065 1.00 53.30 H new ATOM 0 HA TRP A 91 -3.145 -1.851 10.121 1.00 41.11 H new ATOM 0 HB2 TRP A 91 -2.702 -4.244 9.844 1.00 43.42 H new ATOM 0 HB3 TRP A 91 -3.080 -4.548 11.528 1.00 43.42 H new ATOM 0 HD1 TRP A 91 -5.152 -2.654 8.777 1.00 11.33 H new ATOM 0 HE1 TRP A 91 -7.545 -3.603 8.738 1.00 42.34 H new ATOM 0 HE3 TRP A 91 -4.589 -6.328 12.285 1.00 72.04 H new ATOM 0 HZ2 TRP A 91 -8.945 -5.679 9.956 1.00 62.11 H new ATOM 0 HZ3 TRP A 91 -6.511 -7.790 12.765 1.00 72.31 H new ATOM 0 HH2 TRP A 91 -8.663 -7.461 11.623 1.00 35.02 H new ATOM 1490 N ASP A 92 -4.506 -0.750 11.921 1.00 62.13 N ATOM 1491 CA ASP A 92 -5.386 -0.106 12.920 1.00 12.42 C ATOM 1492 C ASP A 92 -6.751 -0.814 12.981 1.00 53.13 C ATOM 1493 O ASP A 92 -7.338 -0.966 14.057 1.00 22.15 O ATOM 1494 CB ASP A 92 -5.586 1.403 12.592 1.00 72.13 C ATOM 1495 CG ASP A 92 -6.395 1.663 11.304 1.00 42.03 C ATOM 1496 OD1 ASP A 92 -5.885 1.372 10.210 1.00 43.02 O ATOM 1497 OD2 ASP A 92 -7.550 2.140 11.373 1.00 62.32 O ATOM 0 H ASP A 92 -4.435 -0.237 11.042 1.00 62.13 H new ATOM 0 HA ASP A 92 -4.903 -0.191 13.893 1.00 12.42 H new ATOM 0 HB2 ASP A 92 -6.092 1.882 13.430 1.00 72.13 H new ATOM 0 HB3 ASP A 92 -4.609 1.876 12.497 1.00 72.13 H new ATOM 1502 N GLY A 93 -7.238 -1.228 11.798 1.00 64.42 N ATOM 1503 CA GLY A 93 -8.553 -1.844 11.658 1.00 72.50 C ATOM 1504 C GLY A 93 -9.201 -1.510 10.324 1.00 51.24 C ATOM 1505 O GLY A 93 -9.861 -2.359 9.734 1.00 50.44 O ATOM 0 H GLY A 93 -6.727 -1.142 10.920 1.00 64.42 H new ATOM 0 HA2 GLY A 93 -8.458 -2.926 11.754 1.00 72.50 H new ATOM 0 HA3 GLY A 93 -9.199 -1.507 12.469 1.00 72.50 H new ATOM 1509 N ASP A 94 -9.030 -0.253 9.856 1.00 53.41 N ATOM 1510 CA ASP A 94 -9.607 0.218 8.571 1.00 62.01 C ATOM 1511 C ASP A 94 -8.593 0.088 7.421 1.00 70.22 C ATOM 1512 O ASP A 94 -8.980 -0.169 6.271 1.00 11.24 O ATOM 1513 CB ASP A 94 -10.100 1.692 8.681 1.00 0.42 C ATOM 1514 CG ASP A 94 -11.348 1.853 9.568 1.00 61.22 C ATOM 1515 OD1 ASP A 94 -12.471 1.572 9.094 1.00 52.14 O ATOM 1516 OD2 ASP A 94 -11.215 2.251 10.744 1.00 74.31 O ATOM 0 H ASP A 94 -8.494 0.460 10.351 1.00 53.41 H new ATOM 0 HA ASP A 94 -10.463 -0.420 8.350 1.00 62.01 H new ATOM 0 HB2 ASP A 94 -9.295 2.308 9.083 1.00 0.42 H new ATOM 0 HB3 ASP A 94 -10.321 2.069 7.683 1.00 0.42 H new ATOM 1521 N THR A 95 -7.299 0.287 7.728 1.00 12.43 N ATOM 1522 CA THR A 95 -6.213 0.201 6.720 1.00 61.12 C ATOM 1523 C THR A 95 -5.018 -0.593 7.267 1.00 41.53 C ATOM 1524 O THR A 95 -4.731 -0.545 8.471 1.00 21.10 O ATOM 1525 CB THR A 95 -5.687 1.618 6.273 1.00 31.00 C ATOM 1526 OG1 THR A 95 -5.211 2.357 7.409 1.00 31.32 O ATOM 1527 CG2 THR A 95 -6.756 2.449 5.531 1.00 41.42 C ATOM 0 H THR A 95 -6.973 0.510 8.669 1.00 12.43 H new ATOM 0 HA THR A 95 -6.649 -0.303 5.858 1.00 61.12 H new ATOM 0 HB THR A 95 -4.870 1.437 5.575 1.00 31.00 H new ATOM 0 HG1 THR A 95 -5.454 1.884 8.232 1.00 31.32 H new ATOM 0 HG21 THR A 95 -6.335 3.414 5.248 1.00 41.42 H new ATOM 0 HG22 THR A 95 -7.074 1.916 4.635 1.00 41.42 H new ATOM 0 HG23 THR A 95 -7.614 2.605 6.185 1.00 41.42 H new ATOM 1535 N VAL A 96 -4.309 -1.296 6.371 1.00 63.21 N ATOM 1536 CA VAL A 96 -2.984 -1.842 6.665 1.00 72.31 C ATOM 1537 C VAL A 96 -1.938 -0.786 6.244 1.00 40.34 C ATOM 1538 O VAL A 96 -1.844 -0.398 5.070 1.00 64.24 O ATOM 1539 CB VAL A 96 -2.722 -3.238 5.972 1.00 23.15 C ATOM 1540 CG1 VAL A 96 -2.858 -3.188 4.427 1.00 23.32 C ATOM 1541 CG2 VAL A 96 -1.354 -3.805 6.404 1.00 23.32 C ATOM 0 H VAL A 96 -4.640 -1.499 5.428 1.00 63.21 H new ATOM 0 HA VAL A 96 -2.910 -2.045 7.733 1.00 72.31 H new ATOM 0 HB VAL A 96 -3.505 -3.915 6.314 1.00 23.15 H new ATOM 0 HG11 VAL A 96 -2.666 -4.178 4.013 1.00 23.32 H new ATOM 0 HG12 VAL A 96 -3.867 -2.872 4.161 1.00 23.32 H new ATOM 0 HG13 VAL A 96 -2.137 -2.479 4.021 1.00 23.32 H new ATOM 0 HG21 VAL A 96 -1.189 -4.767 5.918 1.00 23.32 H new ATOM 0 HG22 VAL A 96 -0.565 -3.111 6.114 1.00 23.32 H new ATOM 0 HG23 VAL A 96 -1.341 -3.938 7.486 1.00 23.32 H new ATOM 1551 N THR A 97 -1.223 -0.266 7.236 1.00 20.51 N ATOM 1552 CA THR A 97 -0.258 0.816 7.064 1.00 54.12 C ATOM 1553 C THR A 97 1.171 0.286 7.232 1.00 10.20 C ATOM 1554 O THR A 97 1.439 -0.567 8.085 1.00 71.03 O ATOM 1555 CB THR A 97 -0.560 1.957 8.089 1.00 4.41 C ATOM 1556 OG1 THR A 97 -1.853 2.515 7.803 1.00 1.32 O ATOM 1557 CG2 THR A 97 0.493 3.079 8.080 1.00 65.32 C ATOM 0 H THR A 97 -1.299 -0.590 8.200 1.00 20.51 H new ATOM 0 HA THR A 97 -0.347 1.223 6.057 1.00 54.12 H new ATOM 0 HB THR A 97 -0.534 1.510 9.083 1.00 4.41 H new ATOM 0 HG1 THR A 97 -1.763 3.220 7.128 1.00 1.32 H new ATOM 0 HG21 THR A 97 0.222 3.838 8.814 1.00 65.32 H new ATOM 0 HG22 THR A 97 1.469 2.664 8.330 1.00 65.32 H new ATOM 0 HG23 THR A 97 0.534 3.531 7.089 1.00 65.32 H new ATOM 1565 N VAL A 98 2.062 0.765 6.363 1.00 40.23 N ATOM 1566 CA VAL A 98 3.509 0.543 6.454 1.00 22.42 C ATOM 1567 C VAL A 98 4.199 1.910 6.469 1.00 23.21 C ATOM 1568 O VAL A 98 3.908 2.766 5.624 1.00 72.20 O ATOM 1569 CB VAL A 98 4.030 -0.347 5.262 1.00 72.53 C ATOM 1570 CG1 VAL A 98 5.569 -0.302 5.120 1.00 75.04 C ATOM 1571 CG2 VAL A 98 3.525 -1.805 5.409 1.00 73.14 C ATOM 0 H VAL A 98 1.794 1.331 5.558 1.00 40.23 H new ATOM 0 HA VAL A 98 3.742 -0.000 7.370 1.00 22.42 H new ATOM 0 HB VAL A 98 3.620 0.073 4.343 1.00 72.53 H new ATOM 0 HG11 VAL A 98 5.876 -0.932 4.285 1.00 75.04 H new ATOM 0 HG12 VAL A 98 5.888 0.724 4.937 1.00 75.04 H new ATOM 0 HG13 VAL A 98 6.030 -0.667 6.038 1.00 75.04 H new ATOM 0 HG21 VAL A 98 3.895 -2.404 4.577 1.00 73.14 H new ATOM 0 HG22 VAL A 98 3.889 -2.223 6.347 1.00 73.14 H new ATOM 0 HG23 VAL A 98 2.435 -1.815 5.406 1.00 73.14 H new ATOM 1581 N GLU A 99 5.090 2.110 7.450 1.00 52.34 N ATOM 1582 CA GLU A 99 5.868 3.340 7.584 1.00 35.05 C ATOM 1583 C GLU A 99 7.286 2.946 8.007 1.00 40.34 C ATOM 1584 O GLU A 99 7.467 2.341 9.079 1.00 71.11 O ATOM 1585 CB GLU A 99 5.195 4.297 8.629 1.00 53.24 C ATOM 1586 CG GLU A 99 5.546 5.802 8.502 1.00 44.54 C ATOM 1587 CD GLU A 99 7.027 6.153 8.737 1.00 11.10 C ATOM 1588 OE1 GLU A 99 7.411 6.416 9.896 1.00 31.24 O ATOM 1589 OE2 GLU A 99 7.811 6.175 7.761 1.00 54.01 O ATOM 0 H GLU A 99 5.289 1.418 8.173 1.00 52.34 H new ATOM 0 HA GLU A 99 5.907 3.883 6.640 1.00 35.05 H new ATOM 0 HB2 GLU A 99 4.114 4.189 8.546 1.00 53.24 H new ATOM 0 HB3 GLU A 99 5.473 3.963 9.629 1.00 53.24 H new ATOM 0 HG2 GLU A 99 5.263 6.142 7.506 1.00 44.54 H new ATOM 0 HG3 GLU A 99 4.939 6.361 9.214 1.00 44.54 H new ATOM 1596 N GLY A 100 8.266 3.295 7.153 1.00 12.24 N ATOM 1597 CA GLY A 100 9.679 3.079 7.430 1.00 72.02 C ATOM 1598 C GLY A 100 10.039 1.611 7.645 1.00 61.21 C ATOM 1599 O GLY A 100 9.680 0.757 6.824 1.00 31.22 O ATOM 0 H GLY A 100 8.088 3.736 6.251 1.00 12.24 H new ATOM 0 HA2 GLY A 100 10.268 3.472 6.601 1.00 72.02 H new ATOM 0 HA3 GLY A 100 9.958 3.647 8.317 1.00 72.02 H new