USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 610 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 48 THR OG1 : rot 180:sc= 0.041 USER MOD Set 1.2: A 51 THR OG1 : rot 180:sc= -0.0548 USER MOD Set 2.1: A 7 CYS SG : rot 127:sc= -2.55! USER MOD Set 2.2: A 12 CYS SG : rot 87:sc= 0.452 USER MOD Set 2.3: A 59 CYS SG : rot 145:sc= 1.43 USER MOD Set 2.4: A 62 HIS : no HE2:sc= -1.47! K(o=-2.1!,f=-3.2) USER MOD Single : A 6 THR OG1 : rot 20:sc= 0.481 USER MOD Single : A 11 ASN : amide:sc= -0.147 K(o=-0.15,f=-1.4!) USER MOD Single : A 13 LYS NZ :NH3+ 163:sc= 1.17 (180deg=0.907) USER MOD Single : A 26 HIS : no HD1:sc= -0.0676 X(o=-0.068,f=0) USER MOD Single : A 28 TYR OH : rot 165:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 1 K(o=1,f=-7.2!) USER MOD Single : A 43 THR OG1 : rot 107:sc= 1.27 USER MOD Single : A 54 SER OG : rot 86:sc= 0.158 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.00057) USER MOD Single : A 60 SER OG : rot -72:sc= 1.42 USER MOD Single : A 68 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.123) USER MOD Single : A 69 LYS NZ :NH3+ -104:sc= 0.39 (180deg=-1.56!) USER MOD Single : A 79 THR OG1 : rot 73:sc= 1.22 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.394 X(o=-0.39,f=-0.3) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 6 7.534 -8.080 1.689 1.00 0.00 N ATOM 67 CA THR A 6 8.135 -7.501 0.505 1.00 0.00 C ATOM 68 C THR A 6 7.119 -6.645 -0.239 1.00 0.00 C ATOM 69 O THR A 6 6.000 -7.093 -0.513 1.00 0.00 O ATOM 70 CB THR A 6 8.685 -8.593 -0.434 1.00 0.00 C ATOM 71 OG1 THR A 6 9.177 -9.701 0.333 1.00 0.00 O ATOM 72 CG2 THR A 6 9.800 -8.042 -1.311 1.00 0.00 C ATOM 0 HA THR A 6 8.967 -6.875 0.827 1.00 0.00 H new ATOM 0 HB THR A 6 7.871 -8.930 -1.076 1.00 0.00 H new ATOM 0 HG1 THR A 6 8.786 -9.676 1.231 1.00 0.00 H new ATOM 0 HG21 THR A 6 10.172 -8.831 -1.965 1.00 0.00 H new ATOM 0 HG22 THR A 6 9.415 -7.221 -1.916 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.612 -7.679 -0.681 1.00 0.00 H new ATOM 80 N CYS A 7 7.509 -5.412 -0.540 1.00 0.00 N ATOM 81 CA CYS A 7 6.658 -4.499 -1.283 1.00 0.00 C ATOM 82 C CYS A 7 6.312 -5.089 -2.640 1.00 0.00 C ATOM 83 O CYS A 7 7.168 -5.666 -3.317 1.00 0.00 O ATOM 84 CB CYS A 7 7.346 -3.147 -1.461 1.00 0.00 C ATOM 85 SG CYS A 7 6.271 -1.840 -2.128 1.00 0.00 S ATOM 0 H CYS A 7 8.415 -5.023 -0.278 1.00 0.00 H new ATOM 0 HA CYS A 7 5.739 -4.349 -0.717 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.737 -2.822 -0.497 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.201 -3.272 -2.126 1.00 0.00 H new ATOM 0 HG CYS A 7 6.317 -0.801 -1.348 1.00 0.00 H new ATOM 90 N GLY A 8 5.060 -4.938 -3.022 1.00 0.00 N ATOM 91 CA GLY A 8 4.604 -5.459 -4.288 1.00 0.00 C ATOM 92 C GLY A 8 4.396 -4.361 -5.303 1.00 0.00 C ATOM 93 O GLY A 8 3.732 -4.559 -6.321 1.00 0.00 O ATOM 0 H GLY A 8 4.345 -4.460 -2.474 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.332 -6.174 -4.670 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.670 -6.002 -4.143 1.00 0.00 H new ATOM 97 N PHE A 9 4.953 -3.194 -5.024 1.00 0.00 N ATOM 98 CA PHE A 9 4.835 -2.071 -5.925 1.00 0.00 C ATOM 99 C PHE A 9 5.832 -2.212 -7.069 1.00 0.00 C ATOM 100 O PHE A 9 7.008 -2.497 -6.844 1.00 0.00 O ATOM 101 CB PHE A 9 5.061 -0.764 -5.169 1.00 0.00 C ATOM 102 CG PHE A 9 3.893 0.170 -5.266 1.00 0.00 C ATOM 103 CD1 PHE A 9 3.724 0.968 -6.383 1.00 0.00 C ATOM 104 CD2 PHE A 9 2.956 0.241 -4.247 1.00 0.00 C ATOM 105 CE1 PHE A 9 2.646 1.820 -6.486 1.00 0.00 C ATOM 106 CE2 PHE A 9 1.872 1.095 -4.345 1.00 0.00 C ATOM 107 CZ PHE A 9 1.718 1.885 -5.467 1.00 0.00 C ATOM 0 H PHE A 9 5.491 -3.004 -4.178 1.00 0.00 H new ATOM 0 HA PHE A 9 3.829 -2.055 -6.344 1.00 0.00 H new ATOM 0 HB2 PHE A 9 5.258 -0.985 -4.120 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.949 -0.270 -5.563 1.00 0.00 H new ATOM 0 HD1 PHE A 9 4.446 0.923 -7.185 1.00 0.00 H new ATOM 0 HD2 PHE A 9 3.073 -0.376 -3.368 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.527 2.437 -7.364 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.148 1.144 -3.545 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.873 2.553 -5.547 1.00 0.00 H new ATOM 117 N PRO A 10 5.365 -2.017 -8.317 1.00 0.00 N ATOM 118 CA PRO A 10 6.190 -2.199 -9.521 1.00 0.00 C ATOM 119 C PRO A 10 7.413 -1.290 -9.555 1.00 0.00 C ATOM 120 O PRO A 10 8.348 -1.524 -10.324 1.00 0.00 O ATOM 121 CB PRO A 10 5.236 -1.859 -10.672 1.00 0.00 C ATOM 122 CG PRO A 10 3.870 -2.009 -10.098 1.00 0.00 C ATOM 123 CD PRO A 10 3.988 -1.619 -8.655 1.00 0.00 C ATOM 0 HA PRO A 10 6.598 -3.209 -9.570 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.402 -0.845 -11.036 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.384 -2.530 -11.519 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.155 -1.371 -10.618 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.514 -3.034 -10.198 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.830 -0.550 -8.511 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.255 -2.136 -8.036 1.00 0.00 H new ATOM 131 N ASN A 11 7.398 -0.257 -8.732 1.00 0.00 N ATOM 132 CA ASN A 11 8.531 0.651 -8.620 1.00 0.00 C ATOM 133 C ASN A 11 8.522 1.364 -7.276 1.00 0.00 C ATOM 134 O ASN A 11 8.157 2.537 -7.181 1.00 0.00 O ATOM 135 CB ASN A 11 8.537 1.677 -9.757 1.00 0.00 C ATOM 136 CG ASN A 11 9.942 2.161 -10.073 1.00 0.00 C ATOM 137 OD1 ASN A 11 10.909 1.403 -9.972 1.00 0.00 O ATOM 138 ND2 ASN A 11 10.071 3.423 -10.454 1.00 0.00 N ATOM 0 H ASN A 11 6.610 -0.023 -8.127 1.00 0.00 H new ATOM 0 HA ASN A 11 9.438 0.052 -8.695 1.00 0.00 H new ATOM 0 HB2 ASN A 11 8.096 1.233 -10.650 1.00 0.00 H new ATOM 0 HB3 ASN A 11 7.913 2.527 -9.483 1.00 0.00 H new ATOM 0 HD21 ASN A 11 10.994 3.797 -10.675 1.00 0.00 H new ATOM 0 HD22 ASN A 11 9.248 4.021 -10.526 1.00 0.00 H new ATOM 145 N CYS A 12 8.898 0.644 -6.230 1.00 0.00 N ATOM 146 CA CYS A 12 9.018 1.237 -4.915 1.00 0.00 C ATOM 147 C CYS A 12 10.338 1.992 -4.797 1.00 0.00 C ATOM 148 O CYS A 12 11.398 1.397 -4.574 1.00 0.00 O ATOM 149 CB CYS A 12 8.926 0.170 -3.824 1.00 0.00 C ATOM 150 SG CYS A 12 8.884 0.848 -2.132 1.00 0.00 S ATOM 0 H CYS A 12 9.124 -0.350 -6.270 1.00 0.00 H new ATOM 0 HA CYS A 12 8.193 1.937 -4.781 1.00 0.00 H new ATOM 0 HB2 CYS A 12 8.029 -0.428 -3.988 1.00 0.00 H new ATOM 0 HB3 CYS A 12 9.779 -0.503 -3.914 1.00 0.00 H new ATOM 0 HG CYS A 12 7.657 1.127 -1.807 1.00 0.00 H new ATOM 155 N LYS A 13 10.270 3.302 -4.962 1.00 0.00 N ATOM 156 CA LYS A 13 11.440 4.149 -4.799 1.00 0.00 C ATOM 157 C LYS A 13 11.787 4.271 -3.317 1.00 0.00 C ATOM 158 O LYS A 13 12.889 4.672 -2.953 1.00 0.00 O ATOM 159 CB LYS A 13 11.190 5.531 -5.424 1.00 0.00 C ATOM 160 CG LYS A 13 10.899 6.636 -4.415 1.00 0.00 C ATOM 161 CD LYS A 13 9.817 7.582 -4.907 1.00 0.00 C ATOM 162 CE LYS A 13 9.646 8.759 -3.960 1.00 0.00 C ATOM 163 NZ LYS A 13 9.585 10.060 -4.678 1.00 0.00 N ATOM 0 H LYS A 13 9.416 3.803 -5.209 1.00 0.00 H new ATOM 0 HA LYS A 13 12.286 3.696 -5.316 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.063 5.814 -6.012 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.351 5.457 -6.115 1.00 0.00 H new ATOM 0 HG2 LYS A 13 10.590 6.192 -3.469 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.812 7.199 -4.220 1.00 0.00 H new ATOM 0 HD2 LYS A 13 10.073 7.946 -5.902 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.873 7.044 -4.998 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.734 8.625 -3.379 1.00 0.00 H new ATOM 0 HE3 LYS A 13 10.475 8.776 -3.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.188 10.786 -4.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.543 10.341 -4.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.981 9.964 -5.520 1.00 0.00 H new ATOM 177 N PHE A 14 10.842 3.886 -2.470 1.00 0.00 N ATOM 178 CA PHE A 14 10.995 4.031 -1.035 1.00 0.00 C ATOM 179 C PHE A 14 11.820 2.888 -0.452 1.00 0.00 C ATOM 180 O PHE A 14 12.553 3.072 0.519 1.00 0.00 O ATOM 181 CB PHE A 14 9.620 4.093 -0.372 1.00 0.00 C ATOM 182 CG PHE A 14 8.848 5.340 -0.708 1.00 0.00 C ATOM 183 CD1 PHE A 14 9.228 6.565 -0.183 1.00 0.00 C ATOM 184 CD2 PHE A 14 7.746 5.286 -1.547 1.00 0.00 C ATOM 185 CE1 PHE A 14 8.523 7.714 -0.489 1.00 0.00 C ATOM 186 CE2 PHE A 14 7.036 6.431 -1.856 1.00 0.00 C ATOM 187 CZ PHE A 14 7.425 7.647 -1.326 1.00 0.00 C ATOM 0 H PHE A 14 9.957 3.469 -2.758 1.00 0.00 H new ATOM 0 HA PHE A 14 11.529 4.960 -0.836 1.00 0.00 H new ATOM 0 HB2 PHE A 14 9.039 3.222 -0.676 1.00 0.00 H new ATOM 0 HB3 PHE A 14 9.744 4.032 0.709 1.00 0.00 H new ATOM 0 HD1 PHE A 14 10.084 6.623 0.472 1.00 0.00 H new ATOM 0 HD2 PHE A 14 7.439 4.338 -1.964 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.830 8.663 -0.075 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.179 6.376 -2.510 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.872 8.543 -1.565 1.00 0.00 H new ATOM 197 N ARG A 15 11.687 1.699 -1.026 1.00 0.00 N ATOM 198 CA ARG A 15 12.494 0.562 -0.601 1.00 0.00 C ATOM 199 C ARG A 15 13.889 0.647 -1.209 1.00 0.00 C ATOM 200 O ARG A 15 14.895 0.603 -0.500 1.00 0.00 O ATOM 201 CB ARG A 15 11.833 -0.752 -1.012 1.00 0.00 C ATOM 202 CG ARG A 15 11.039 -1.412 0.100 1.00 0.00 C ATOM 203 CD ARG A 15 11.113 -2.927 -0.001 1.00 0.00 C ATOM 204 NE ARG A 15 10.376 -3.436 -1.157 1.00 0.00 N ATOM 205 CZ ARG A 15 10.864 -4.316 -2.034 1.00 0.00 C ATOM 206 NH1 ARG A 15 12.095 -4.790 -1.902 1.00 0.00 N ATOM 207 NH2 ARG A 15 10.113 -4.730 -3.048 1.00 0.00 N ATOM 0 H ARG A 15 11.033 1.497 -1.782 1.00 0.00 H new ATOM 0 HA ARG A 15 12.575 0.590 0.486 1.00 0.00 H new ATOM 0 HB2 ARG A 15 11.171 -0.566 -1.858 1.00 0.00 H new ATOM 0 HB3 ARG A 15 12.603 -1.443 -1.356 1.00 0.00 H new ATOM 0 HG2 ARG A 15 11.424 -1.089 1.067 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.999 -1.091 0.048 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.156 -3.235 -0.072 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.711 -3.371 0.910 1.00 0.00 H new ATOM 0 HE ARG A 15 9.426 -3.096 -1.303 1.00 0.00 H new ATOM 0 HH11 ARG A 15 12.679 -4.483 -1.124 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.458 -5.462 -2.578 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.163 -4.375 -3.157 1.00 0.00 H new ATOM 0 HH22 ARG A 15 10.486 -5.402 -3.718 1.00 0.00 H new ATOM 368 N ARG A 25 10.155 0.616 7.950 1.00 0.00 N ATOM 369 CA ARG A 25 8.769 1.036 7.784 1.00 0.00 C ATOM 370 C ARG A 25 7.792 -0.018 8.283 1.00 0.00 C ATOM 371 O ARG A 25 8.060 -1.217 8.209 1.00 0.00 O ATOM 372 CB ARG A 25 8.486 1.325 6.310 1.00 0.00 C ATOM 373 CG ARG A 25 8.138 2.776 6.023 1.00 0.00 C ATOM 374 CD ARG A 25 8.889 3.300 4.807 1.00 0.00 C ATOM 375 NE ARG A 25 8.874 2.349 3.692 1.00 0.00 N ATOM 376 CZ ARG A 25 9.843 2.249 2.782 1.00 0.00 C ATOM 377 NH1 ARG A 25 10.901 3.055 2.824 1.00 0.00 N ATOM 378 NH2 ARG A 25 9.745 1.344 1.811 1.00 0.00 N ATOM 0 HA ARG A 25 8.628 1.938 8.379 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.360 1.048 5.721 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.664 0.692 5.977 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.065 2.868 5.856 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.379 3.388 6.892 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.443 4.241 4.485 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.921 3.515 5.085 1.00 0.00 H new ATOM 0 HE ARG A 25 8.072 1.725 3.607 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.977 3.759 3.558 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.636 2.969 2.122 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.931 0.731 1.766 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.484 1.264 1.112 1.00 0.00 H new ATOM 392 N HIS A 26 6.659 0.443 8.791 1.00 0.00 N ATOM 393 CA HIS A 26 5.597 -0.453 9.214 1.00 0.00 C ATOM 394 C HIS A 26 4.918 -1.037 7.986 1.00 0.00 C ATOM 395 O HIS A 26 4.184 -0.344 7.279 1.00 0.00 O ATOM 396 CB HIS A 26 4.572 0.287 10.085 1.00 0.00 C ATOM 397 CG HIS A 26 5.052 0.584 11.466 1.00 0.00 C ATOM 398 ND1 HIS A 26 4.306 0.282 12.580 1.00 0.00 N ATOM 399 CD2 HIS A 26 6.207 1.147 11.845 1.00 0.00 C ATOM 400 CE1 HIS A 26 5.037 0.674 13.613 1.00 0.00 C ATOM 401 NE2 HIS A 26 6.198 1.206 13.213 1.00 0.00 N ATOM 0 H HIS A 26 6.453 1.434 8.920 1.00 0.00 H new ATOM 0 HA HIS A 26 6.028 -1.256 9.812 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.303 1.223 9.596 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.664 -0.312 10.148 1.00 0.00 H new ATOM 0 HD2 HIS A 26 6.997 1.490 11.194 1.00 0.00 H new ATOM 0 HE1 HIS A 26 4.735 0.577 14.645 1.00 0.00 H new ATOM 0 HE2 HIS A 26 6.934 1.582 13.811 1.00 0.00 H new ATOM 409 N PHE A 27 5.174 -2.307 7.725 1.00 0.00 N ATOM 410 CA PHE A 27 4.651 -2.949 6.533 1.00 0.00 C ATOM 411 C PHE A 27 3.189 -3.304 6.726 1.00 0.00 C ATOM 412 O PHE A 27 2.845 -4.174 7.531 1.00 0.00 O ATOM 413 CB PHE A 27 5.454 -4.201 6.202 1.00 0.00 C ATOM 414 CG PHE A 27 6.494 -3.987 5.142 1.00 0.00 C ATOM 415 CD1 PHE A 27 6.141 -3.972 3.803 1.00 0.00 C ATOM 416 CD2 PHE A 27 7.825 -3.813 5.485 1.00 0.00 C ATOM 417 CE1 PHE A 27 7.097 -3.788 2.825 1.00 0.00 C ATOM 418 CE2 PHE A 27 8.785 -3.626 4.510 1.00 0.00 C ATOM 419 CZ PHE A 27 8.421 -3.616 3.180 1.00 0.00 C ATOM 0 H PHE A 27 5.739 -2.912 8.321 1.00 0.00 H new ATOM 0 HA PHE A 27 4.738 -2.251 5.701 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.941 -4.560 7.109 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.770 -4.985 5.875 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.107 -4.106 3.521 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.115 -3.824 6.525 1.00 0.00 H new ATOM 0 HE1 PHE A 27 6.811 -3.778 1.784 1.00 0.00 H new ATOM 0 HE2 PHE A 27 9.819 -3.488 4.789 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.171 -3.474 2.416 1.00 0.00 H new ATOM 429 N TYR A 28 2.333 -2.630 5.982 1.00 0.00 N ATOM 430 CA TYR A 28 0.902 -2.815 6.118 1.00 0.00 C ATOM 431 C TYR A 28 0.457 -4.078 5.405 1.00 0.00 C ATOM 432 O TYR A 28 1.064 -4.495 4.413 1.00 0.00 O ATOM 433 CB TYR A 28 0.143 -1.616 5.540 1.00 0.00 C ATOM 434 CG TYR A 28 0.179 -0.377 6.406 1.00 0.00 C ATOM 435 CD1 TYR A 28 0.480 -0.451 7.761 1.00 0.00 C ATOM 436 CD2 TYR A 28 -0.090 0.871 5.862 1.00 0.00 C ATOM 437 CE1 TYR A 28 0.515 0.685 8.546 1.00 0.00 C ATOM 438 CE2 TYR A 28 -0.056 2.010 6.640 1.00 0.00 C ATOM 439 CZ TYR A 28 0.248 1.913 7.980 1.00 0.00 C ATOM 440 OH TYR A 28 0.284 3.048 8.756 1.00 0.00 O ATOM 0 H TYR A 28 2.606 -1.947 5.275 1.00 0.00 H new ATOM 0 HA TYR A 28 0.678 -2.903 7.181 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.561 -1.374 4.563 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.896 -1.902 5.380 1.00 0.00 H new ATOM 0 HD1 TYR A 28 0.690 -1.412 8.207 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.330 0.952 4.812 1.00 0.00 H new ATOM 0 HE1 TYR A 28 0.750 0.611 9.597 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.267 2.974 6.200 1.00 0.00 H new ATOM 0 HH TYR A 28 0.312 3.839 8.178 1.00 0.00 H new ATOM 450 N ARG A 29 -0.589 -4.695 5.926 1.00 0.00 N ATOM 451 CA ARG A 29 -1.228 -5.798 5.237 1.00 0.00 C ATOM 452 C ARG A 29 -2.209 -5.209 4.238 1.00 0.00 C ATOM 453 O ARG A 29 -2.295 -3.989 4.112 1.00 0.00 O ATOM 454 CB ARG A 29 -1.954 -6.735 6.218 1.00 0.00 C ATOM 455 CG ARG A 29 -1.521 -6.587 7.671 1.00 0.00 C ATOM 456 CD ARG A 29 -0.198 -7.288 7.939 1.00 0.00 C ATOM 457 NE ARG A 29 0.842 -6.352 8.374 1.00 0.00 N ATOM 458 CZ ARG A 29 1.319 -6.285 9.618 1.00 0.00 C ATOM 459 NH1 ARG A 29 0.879 -7.118 10.555 1.00 0.00 N ATOM 460 NH2 ARG A 29 2.249 -5.387 9.915 1.00 0.00 N ATOM 0 H ARG A 29 -1.012 -4.451 6.822 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.474 -6.400 4.730 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.026 -6.550 6.151 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.788 -7.766 5.906 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.428 -5.529 7.917 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.290 -7.000 8.324 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.341 -8.052 8.703 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.131 -7.800 7.035 1.00 0.00 H new ATOM 0 HE ARG A 29 1.226 -5.710 7.681 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.171 -7.816 10.326 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.249 -7.060 11.504 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.595 -4.753 9.194 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.618 -5.330 10.864 1.00 0.00 H new ATOM 474 N ILE A 30 -2.938 -6.046 3.529 1.00 0.00 N ATOM 475 CA ILE A 30 -3.935 -5.550 2.598 1.00 0.00 C ATOM 476 C ILE A 30 -5.311 -5.542 3.252 1.00 0.00 C ATOM 477 O ILE A 30 -5.933 -6.591 3.427 1.00 0.00 O ATOM 478 CB ILE A 30 -3.967 -6.378 1.300 1.00 0.00 C ATOM 479 CG1 ILE A 30 -2.559 -6.471 0.708 1.00 0.00 C ATOM 480 CG2 ILE A 30 -4.928 -5.758 0.293 1.00 0.00 C ATOM 481 CD1 ILE A 30 -2.447 -7.460 -0.424 1.00 0.00 C ATOM 0 H ILE A 30 -2.862 -7.062 3.577 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.658 -4.530 2.332 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.320 -7.383 1.533 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.258 -5.486 0.351 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.860 -6.752 1.496 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.937 -6.357 -0.618 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.931 -5.729 0.718 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.604 -4.744 0.057 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.422 -7.474 -0.795 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.717 -8.454 -0.067 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.121 -7.169 -1.230 1.00 0.00 H new ATOM 493 N PRO A 31 -5.774 -4.346 3.654 1.00 0.00 N ATOM 494 CA PRO A 31 -7.084 -4.154 4.289 1.00 0.00 C ATOM 495 C PRO A 31 -8.227 -4.716 3.453 1.00 0.00 C ATOM 496 O PRO A 31 -8.548 -4.189 2.388 1.00 0.00 O ATOM 497 CB PRO A 31 -7.190 -2.628 4.382 1.00 0.00 C ATOM 498 CG PRO A 31 -5.781 -2.187 4.490 1.00 0.00 C ATOM 499 CD PRO A 31 -5.049 -3.068 3.529 1.00 0.00 C ATOM 0 HA PRO A 31 -7.160 -4.670 5.246 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.676 -2.206 3.503 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.774 -2.319 5.249 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.672 -1.134 4.229 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.403 -2.304 5.506 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.086 -2.678 2.512 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.996 -3.171 3.793 1.00 0.00 H new ATOM 507 N LYS A 32 -8.841 -5.785 3.938 1.00 0.00 N ATOM 508 CA LYS A 32 -9.950 -6.406 3.232 1.00 0.00 C ATOM 509 C LYS A 32 -11.275 -6.026 3.884 1.00 0.00 C ATOM 510 O LYS A 32 -12.273 -6.730 3.749 1.00 0.00 O ATOM 511 CB LYS A 32 -9.787 -7.931 3.190 1.00 0.00 C ATOM 512 CG LYS A 32 -9.304 -8.548 4.494 1.00 0.00 C ATOM 513 CD LYS A 32 -10.342 -9.483 5.101 1.00 0.00 C ATOM 514 CE LYS A 32 -10.941 -10.420 4.059 1.00 0.00 C ATOM 515 NZ LYS A 32 -10.368 -11.790 4.136 1.00 0.00 N ATOM 0 H LYS A 32 -8.590 -6.239 4.816 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.950 -6.038 2.206 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.744 -8.379 2.923 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.083 -8.187 2.398 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.381 -9.099 4.314 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.070 -7.756 5.205 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.881 -10.070 5.895 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.137 -8.895 5.560 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.021 -10.472 4.198 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.767 -10.011 3.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.806 -12.391 3.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.341 -11.746 3.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.556 -12.192 5.076 1.00 0.00 H new ATOM 529 N ARG A 33 -11.272 -4.905 4.591 1.00 0.00 N ATOM 530 CA ARG A 33 -12.472 -4.393 5.236 1.00 0.00 C ATOM 531 C ARG A 33 -12.545 -2.879 5.067 1.00 0.00 C ATOM 532 O ARG A 33 -11.775 -2.141 5.687 1.00 0.00 O ATOM 533 CB ARG A 33 -12.487 -4.758 6.724 1.00 0.00 C ATOM 534 CG ARG A 33 -13.104 -6.117 7.008 1.00 0.00 C ATOM 535 CD ARG A 33 -14.493 -5.983 7.613 1.00 0.00 C ATOM 536 NE ARG A 33 -15.413 -7.003 7.104 1.00 0.00 N ATOM 537 CZ ARG A 33 -15.337 -8.305 7.405 1.00 0.00 C ATOM 538 NH1 ARG A 33 -14.431 -8.747 8.270 1.00 0.00 N ATOM 539 NH2 ARG A 33 -16.173 -9.167 6.847 1.00 0.00 N ATOM 0 H ARG A 33 -10.443 -4.328 4.733 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.341 -4.850 4.763 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -11.465 -4.745 7.104 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -13.040 -3.995 7.272 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -13.163 -6.692 6.084 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.461 -6.674 7.690 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -14.425 -6.064 8.698 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -14.891 -4.993 7.392 1.00 0.00 H new ATOM 0 HE ARG A 33 -16.161 -6.701 6.479 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.785 -8.092 8.711 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -14.381 -9.741 8.493 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -16.877 -8.839 6.186 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -16.113 -10.159 7.078 1.00 0.00 H new ATOM 553 N PRO A 34 -13.460 -2.390 4.213 1.00 0.00 N ATOM 554 CA PRO A 34 -14.377 -3.229 3.432 1.00 0.00 C ATOM 555 C PRO A 34 -13.686 -3.916 2.252 1.00 0.00 C ATOM 556 O PRO A 34 -12.582 -3.537 1.860 1.00 0.00 O ATOM 557 CB PRO A 34 -15.439 -2.235 2.922 1.00 0.00 C ATOM 558 CG PRO A 34 -15.140 -0.932 3.591 1.00 0.00 C ATOM 559 CD PRO A 34 -13.684 -0.970 3.943 1.00 0.00 C ATOM 0 HA PRO A 34 -14.786 -4.040 4.034 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -15.392 -2.136 1.837 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -16.444 -2.578 3.168 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -15.359 -0.095 2.929 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -15.753 -0.802 4.483 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -13.060 -0.609 3.126 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.460 -0.352 4.812 1.00 0.00 H new ATOM 567 N LEU A 35 -14.350 -4.917 1.686 1.00 0.00 N ATOM 568 CA LEU A 35 -13.804 -5.683 0.566 1.00 0.00 C ATOM 569 C LEU A 35 -13.591 -4.799 -0.657 1.00 0.00 C ATOM 570 O LEU A 35 -12.629 -4.982 -1.405 1.00 0.00 O ATOM 571 CB LEU A 35 -14.739 -6.842 0.207 1.00 0.00 C ATOM 572 CG LEU A 35 -14.309 -8.217 0.727 1.00 0.00 C ATOM 573 CD1 LEU A 35 -12.840 -8.476 0.427 1.00 0.00 C ATOM 574 CD2 LEU A 35 -14.579 -8.325 2.218 1.00 0.00 C ATOM 0 H LEU A 35 -15.276 -5.221 1.986 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.838 -6.080 0.876 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -15.732 -6.619 0.596 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -14.826 -6.894 -0.878 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.896 -8.977 0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.559 -9.459 0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.677 -8.443 -0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -12.230 -7.713 0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -14.269 -9.307 2.574 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -14.018 -7.554 2.746 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -15.644 -8.191 2.405 1.00 0.00 H new ATOM 586 N ILE A 36 -14.489 -3.842 -0.861 1.00 0.00 N ATOM 587 CA ILE A 36 -14.379 -2.918 -1.984 1.00 0.00 C ATOM 588 C ILE A 36 -13.128 -2.046 -1.849 1.00 0.00 C ATOM 589 O ILE A 36 -12.511 -1.675 -2.847 1.00 0.00 O ATOM 590 CB ILE A 36 -15.659 -2.047 -2.129 1.00 0.00 C ATOM 591 CG1 ILE A 36 -16.396 -2.396 -3.426 1.00 0.00 C ATOM 592 CG2 ILE A 36 -15.343 -0.556 -2.101 1.00 0.00 C ATOM 593 CD1 ILE A 36 -16.525 -3.883 -3.678 1.00 0.00 C ATOM 0 H ILE A 36 -15.301 -3.686 -0.264 1.00 0.00 H new ATOM 0 HA ILE A 36 -14.282 -3.509 -2.895 1.00 0.00 H new ATOM 0 HB ILE A 36 -16.298 -2.268 -1.274 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -17.392 -1.955 -3.396 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -15.871 -1.940 -4.265 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -16.266 0.014 -2.205 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -14.866 -0.303 -1.154 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.671 -0.311 -2.923 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -17.058 -4.048 -4.614 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -15.532 -4.329 -3.742 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -17.078 -4.344 -2.860 1.00 0.00 H new ATOM 605 N LEU A 37 -12.741 -1.751 -0.610 1.00 0.00 N ATOM 606 CA LEU A 37 -11.527 -0.985 -0.352 1.00 0.00 C ATOM 607 C LEU A 37 -10.309 -1.809 -0.747 1.00 0.00 C ATOM 608 O LEU A 37 -9.362 -1.292 -1.335 1.00 0.00 O ATOM 609 CB LEU A 37 -11.451 -0.578 1.123 1.00 0.00 C ATOM 610 CG LEU A 37 -10.038 -0.443 1.699 1.00 0.00 C ATOM 611 CD1 LEU A 37 -9.629 1.017 1.794 1.00 0.00 C ATOM 612 CD2 LEU A 37 -9.959 -1.103 3.064 1.00 0.00 C ATOM 0 H LEU A 37 -13.250 -2.031 0.228 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.546 -0.074 -0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.967 0.374 1.246 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.996 -1.314 1.713 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.346 -0.948 1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.622 1.087 2.206 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.647 1.465 0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.324 1.548 2.444 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.949 -0.999 3.461 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.666 -0.624 3.741 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.205 -2.161 2.971 1.00 0.00 H new ATOM 624 N ARG A 38 -10.362 -3.101 -0.444 1.00 0.00 N ATOM 625 CA ARG A 38 -9.304 -4.028 -0.828 1.00 0.00 C ATOM 626 C ARG A 38 -9.180 -4.083 -2.347 1.00 0.00 C ATOM 627 O ARG A 38 -8.082 -4.177 -2.888 1.00 0.00 O ATOM 628 CB ARG A 38 -9.597 -5.424 -0.273 1.00 0.00 C ATOM 629 CG ARG A 38 -8.494 -6.437 -0.539 1.00 0.00 C ATOM 630 CD ARG A 38 -9.003 -7.858 -0.374 1.00 0.00 C ATOM 631 NE ARG A 38 -8.298 -8.802 -1.240 1.00 0.00 N ATOM 632 CZ ARG A 38 -8.846 -9.397 -2.303 1.00 0.00 C ATOM 633 NH1 ARG A 38 -10.087 -9.096 -2.677 1.00 0.00 N ATOM 634 NH2 ARG A 38 -8.145 -10.277 -3.004 1.00 0.00 N ATOM 0 H ARG A 38 -11.131 -3.532 0.069 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.361 -3.675 -0.410 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.757 -5.350 0.803 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.526 -5.790 -0.710 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.108 -6.301 -1.549 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.664 -6.263 0.146 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.887 -8.165 0.665 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.069 -7.888 -0.598 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.326 -9.020 -1.018 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.625 -8.408 -2.151 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.500 -9.554 -3.490 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.188 -10.500 -2.732 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.563 -10.732 -3.816 1.00 0.00 H new ATOM 648 N GLN A 39 -10.322 -4.014 -3.023 1.00 0.00 N ATOM 649 CA GLN A 39 -10.360 -4.021 -4.479 1.00 0.00 C ATOM 650 C GLN A 39 -9.754 -2.732 -5.039 1.00 0.00 C ATOM 651 O GLN A 39 -9.098 -2.739 -6.081 1.00 0.00 O ATOM 652 CB GLN A 39 -11.805 -4.190 -4.959 1.00 0.00 C ATOM 653 CG GLN A 39 -11.943 -4.365 -6.463 1.00 0.00 C ATOM 654 CD GLN A 39 -12.627 -3.183 -7.117 1.00 0.00 C ATOM 655 OE1 GLN A 39 -12.284 -2.032 -6.859 1.00 0.00 O ATOM 656 NE2 GLN A 39 -13.605 -3.453 -7.957 1.00 0.00 N ATOM 0 H GLN A 39 -11.239 -3.952 -2.581 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.767 -4.860 -4.844 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.243 -5.055 -4.462 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.383 -3.319 -4.651 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.955 -4.500 -6.903 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.511 -5.272 -6.671 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -13.862 -4.422 -8.146 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.106 -2.693 -8.418 1.00 0.00 H new ATOM 665 N ARG A 40 -9.963 -1.628 -4.332 1.00 0.00 N ATOM 666 CA ARG A 40 -9.422 -0.339 -4.748 1.00 0.00 C ATOM 667 C ARG A 40 -7.931 -0.251 -4.431 1.00 0.00 C ATOM 668 O ARG A 40 -7.214 0.580 -4.991 1.00 0.00 O ATOM 669 CB ARG A 40 -10.176 0.809 -4.070 1.00 0.00 C ATOM 670 CG ARG A 40 -11.627 0.934 -4.497 1.00 0.00 C ATOM 671 CD ARG A 40 -11.760 1.532 -5.889 1.00 0.00 C ATOM 672 NE ARG A 40 -11.576 0.519 -6.925 1.00 0.00 N ATOM 673 CZ ARG A 40 -11.008 0.745 -8.106 1.00 0.00 C ATOM 674 NH1 ARG A 40 -10.643 1.971 -8.455 1.00 0.00 N ATOM 675 NH2 ARG A 40 -10.835 -0.263 -8.952 1.00 0.00 N ATOM 0 H ARG A 40 -10.503 -1.599 -3.467 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.553 -0.251 -5.827 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.137 0.667 -2.990 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.662 1.745 -4.287 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.097 -0.049 -4.478 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -12.163 1.557 -3.782 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.743 1.990 -5.997 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.023 2.324 -6.018 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.906 -0.426 -6.729 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.797 2.751 -7.815 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.208 2.135 -9.363 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.137 -1.203 -8.694 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.400 -0.098 -9.860 1.00 0.00 H new ATOM 689 N TRP A 41 -7.467 -1.115 -3.543 1.00 0.00 N ATOM 690 CA TRP A 41 -6.067 -1.132 -3.140 1.00 0.00 C ATOM 691 C TRP A 41 -5.163 -1.616 -4.279 1.00 0.00 C ATOM 692 O TRP A 41 -3.970 -1.320 -4.301 1.00 0.00 O ATOM 693 CB TRP A 41 -5.899 -2.014 -1.901 1.00 0.00 C ATOM 694 CG TRP A 41 -5.661 -1.216 -0.660 1.00 0.00 C ATOM 695 CD1 TRP A 41 -6.495 -0.287 -0.116 1.00 0.00 C ATOM 696 CD2 TRP A 41 -4.506 -1.260 0.179 1.00 0.00 C ATOM 697 NE1 TRP A 41 -5.925 0.256 1.007 1.00 0.00 N ATOM 698 CE2 TRP A 41 -4.705 -0.326 1.212 1.00 0.00 C ATOM 699 CE3 TRP A 41 -3.321 -1.999 0.157 1.00 0.00 C ATOM 700 CZ2 TRP A 41 -3.762 -0.111 2.210 1.00 0.00 C ATOM 701 CZ3 TRP A 41 -2.387 -1.785 1.149 1.00 0.00 C ATOM 702 CH2 TRP A 41 -2.611 -0.849 2.164 1.00 0.00 C ATOM 0 H TRP A 41 -8.043 -1.820 -3.083 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.765 -0.113 -2.897 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.792 -2.626 -1.770 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.064 -2.697 -2.056 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.463 -0.017 -0.511 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -6.344 0.977 1.594 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -3.139 -2.724 -0.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -3.932 0.613 2.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.467 -2.350 1.142 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.860 -0.706 2.927 1.00 0.00 H new ATOM 713 N LEU A 42 -5.739 -2.343 -5.232 1.00 0.00 N ATOM 714 CA LEU A 42 -4.969 -2.875 -6.359 1.00 0.00 C ATOM 715 C LEU A 42 -4.758 -1.827 -7.449 1.00 0.00 C ATOM 716 O LEU A 42 -3.898 -1.998 -8.313 1.00 0.00 O ATOM 717 CB LEU A 42 -5.639 -4.106 -6.977 1.00 0.00 C ATOM 718 CG LEU A 42 -6.700 -4.800 -6.126 1.00 0.00 C ATOM 719 CD1 LEU A 42 -7.602 -5.640 -7.013 1.00 0.00 C ATOM 720 CD2 LEU A 42 -6.052 -5.665 -5.058 1.00 0.00 C ATOM 0 H LEU A 42 -6.731 -2.578 -5.249 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.001 -3.164 -5.950 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.098 -3.808 -7.920 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.863 -4.833 -7.216 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.300 -4.040 -5.627 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.357 -6.133 -6.401 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.091 -4.998 -7.746 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.006 -6.392 -7.530 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.826 -6.150 -4.463 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.430 -6.424 -5.532 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.434 -5.042 -4.411 1.00 0.00 H new ATOM 732 N THR A 43 -5.556 -0.763 -7.417 1.00 0.00 N ATOM 733 CA THR A 43 -5.534 0.269 -8.458 1.00 0.00 C ATOM 734 C THR A 43 -4.116 0.749 -8.794 1.00 0.00 C ATOM 735 O THR A 43 -3.704 0.718 -9.953 1.00 0.00 O ATOM 736 CB THR A 43 -6.388 1.487 -8.045 1.00 0.00 C ATOM 737 OG1 THR A 43 -7.633 1.045 -7.493 1.00 0.00 O ATOM 738 CG2 THR A 43 -6.655 2.403 -9.233 1.00 0.00 C ATOM 0 H THR A 43 -6.234 -0.589 -6.675 1.00 0.00 H new ATOM 0 HA THR A 43 -5.952 -0.198 -9.349 1.00 0.00 H new ATOM 0 HB THR A 43 -5.831 2.049 -7.296 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.630 1.188 -6.524 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.259 3.251 -8.910 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.708 2.764 -9.635 1.00 0.00 H new ATOM 0 HG23 THR A 43 -7.190 1.850 -10.006 1.00 0.00 H new ATOM 746 N ALA A 44 -3.365 1.161 -7.780 1.00 0.00 N ATOM 747 CA ALA A 44 -2.071 1.795 -8.008 1.00 0.00 C ATOM 748 C ALA A 44 -0.980 0.782 -8.347 1.00 0.00 C ATOM 749 O ALA A 44 -0.034 1.102 -9.066 1.00 0.00 O ATOM 750 CB ALA A 44 -1.673 2.622 -6.803 1.00 0.00 C ATOM 0 H ALA A 44 -3.626 1.069 -6.798 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.178 2.449 -8.873 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.706 3.090 -6.986 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.422 3.394 -6.628 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.604 1.978 -5.926 1.00 0.00 H new ATOM 756 N ILE A 45 -1.105 -0.436 -7.838 1.00 0.00 N ATOM 757 CA ILE A 45 -0.124 -1.473 -8.143 1.00 0.00 C ATOM 758 C ILE A 45 -0.408 -2.066 -9.513 1.00 0.00 C ATOM 759 O ILE A 45 0.445 -2.730 -10.101 1.00 0.00 O ATOM 760 CB ILE A 45 -0.094 -2.609 -7.094 1.00 0.00 C ATOM 761 CG1 ILE A 45 -1.511 -2.992 -6.653 1.00 0.00 C ATOM 762 CG2 ILE A 45 0.759 -2.210 -5.898 1.00 0.00 C ATOM 763 CD1 ILE A 45 -1.579 -3.673 -5.302 1.00 0.00 C ATOM 0 H ILE A 45 -1.863 -0.729 -7.221 1.00 0.00 H new ATOM 0 HA ILE A 45 0.853 -0.991 -8.126 1.00 0.00 H new ATOM 0 HB ILE A 45 0.357 -3.486 -7.558 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.126 -2.093 -6.625 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.946 -3.653 -7.403 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.768 -3.022 -5.171 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.778 -2.008 -6.229 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.343 -1.314 -5.437 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.616 -3.910 -5.066 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.994 -4.592 -5.328 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.176 -3.008 -4.538 1.00 0.00 H new ATOM 775 N GLY A 46 -1.614 -1.809 -10.012 1.00 0.00 N ATOM 776 CA GLY A 46 -2.001 -2.281 -11.325 1.00 0.00 C ATOM 777 C GLY A 46 -1.943 -3.787 -11.433 1.00 0.00 C ATOM 778 O GLY A 46 -1.382 -4.326 -12.388 1.00 0.00 O ATOM 0 H GLY A 46 -2.334 -1.277 -9.523 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.013 -1.942 -11.547 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.345 -1.840 -12.075 1.00 0.00 H new ATOM 782 N ARG A 47 -2.502 -4.472 -10.447 1.00 0.00 N ATOM 783 CA ARG A 47 -2.481 -5.926 -10.438 1.00 0.00 C ATOM 784 C ARG A 47 -3.865 -6.509 -10.180 1.00 0.00 C ATOM 785 O ARG A 47 -4.824 -5.780 -9.918 1.00 0.00 O ATOM 786 CB ARG A 47 -1.515 -6.428 -9.373 1.00 0.00 C ATOM 787 CG ARG A 47 -0.415 -7.319 -9.913 1.00 0.00 C ATOM 788 CD ARG A 47 0.332 -8.005 -8.785 1.00 0.00 C ATOM 789 NE ARG A 47 1.778 -7.824 -8.888 1.00 0.00 N ATOM 790 CZ ARG A 47 2.457 -6.865 -8.263 1.00 0.00 C ATOM 791 NH1 ARG A 47 1.820 -5.983 -7.504 1.00 0.00 N ATOM 792 NH2 ARG A 47 3.772 -6.778 -8.402 1.00 0.00 N ATOM 0 H ARG A 47 -2.973 -4.048 -9.648 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.151 -6.255 -11.424 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.063 -5.571 -8.874 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.076 -6.978 -8.617 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.843 -8.068 -10.579 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.280 -6.725 -10.506 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.014 -7.610 -7.830 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.100 -9.070 -8.793 1.00 0.00 H new ATOM 0 HE ARG A 47 2.300 -8.474 -9.476 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.807 -6.039 -7.398 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.343 -5.249 -7.026 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.268 -7.448 -8.990 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.288 -6.041 -7.921 1.00 0.00 H new ATOM 806 N THR A 48 -3.949 -7.828 -10.262 1.00 0.00 N ATOM 807 CA THR A 48 -5.167 -8.556 -9.972 1.00 0.00 C ATOM 808 C THR A 48 -5.232 -8.915 -8.486 1.00 0.00 C ATOM 809 O THR A 48 -4.209 -8.980 -7.810 1.00 0.00 O ATOM 810 CB THR A 48 -5.224 -9.837 -10.822 1.00 0.00 C ATOM 811 OG1 THR A 48 -4.164 -9.809 -11.794 1.00 0.00 O ATOM 812 CG2 THR A 48 -6.566 -9.962 -11.524 1.00 0.00 C ATOM 0 H THR A 48 -3.167 -8.424 -10.534 1.00 0.00 H new ATOM 0 HA THR A 48 -6.020 -7.923 -10.217 1.00 0.00 H new ATOM 0 HB THR A 48 -5.102 -10.699 -10.167 1.00 0.00 H new ATOM 0 HG1 THR A 48 -4.196 -10.625 -12.336 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.582 -10.875 -12.119 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.363 -9.999 -10.781 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.717 -9.102 -12.176 1.00 0.00 H new ATOM 820 N GLU A 49 -6.430 -9.160 -7.985 1.00 0.00 N ATOM 821 CA GLU A 49 -6.631 -9.464 -6.566 1.00 0.00 C ATOM 822 C GLU A 49 -6.394 -10.941 -6.298 1.00 0.00 C ATOM 823 O GLU A 49 -6.313 -11.375 -5.151 1.00 0.00 O ATOM 824 CB GLU A 49 -8.033 -9.041 -6.123 1.00 0.00 C ATOM 825 CG GLU A 49 -9.149 -9.916 -6.668 1.00 0.00 C ATOM 826 CD GLU A 49 -9.964 -10.547 -5.565 1.00 0.00 C ATOM 827 OE1 GLU A 49 -10.952 -9.932 -5.120 1.00 0.00 O ATOM 828 OE2 GLU A 49 -9.605 -11.654 -5.118 1.00 0.00 O ATOM 0 H GLU A 49 -7.287 -9.156 -8.538 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.907 -8.897 -5.982 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.077 -9.052 -5.034 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.206 -8.012 -6.438 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.801 -9.317 -7.303 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.722 -10.698 -7.296 1.00 0.00 H new ATOM 835 N GLU A 50 -6.269 -11.706 -7.371 1.00 0.00 N ATOM 836 CA GLU A 50 -5.834 -13.087 -7.277 1.00 0.00 C ATOM 837 C GLU A 50 -4.316 -13.117 -7.155 1.00 0.00 C ATOM 838 O GLU A 50 -3.703 -14.174 -7.009 1.00 0.00 O ATOM 839 CB GLU A 50 -6.288 -13.868 -8.510 1.00 0.00 C ATOM 840 CG GLU A 50 -7.721 -14.365 -8.415 1.00 0.00 C ATOM 841 CD GLU A 50 -7.863 -15.562 -7.500 1.00 0.00 C ATOM 842 OE1 GLU A 50 -6.969 -16.433 -7.510 1.00 0.00 O ATOM 843 OE2 GLU A 50 -8.873 -15.646 -6.769 1.00 0.00 O ATOM 0 H GLU A 50 -6.464 -11.390 -8.321 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.278 -13.555 -6.398 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.189 -13.233 -9.390 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.624 -14.720 -8.656 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.358 -13.558 -8.053 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.077 -14.629 -9.411 1.00 0.00 H new ATOM 850 N THR A 51 -3.728 -11.929 -7.200 1.00 0.00 N ATOM 851 CA THR A 51 -2.290 -11.764 -7.154 1.00 0.00 C ATOM 852 C THR A 51 -1.900 -10.915 -5.951 1.00 0.00 C ATOM 853 O THR A 51 -0.918 -11.189 -5.260 1.00 0.00 O ATOM 854 CB THR A 51 -1.812 -11.067 -8.437 1.00 0.00 C ATOM 855 OG1 THR A 51 -2.775 -11.266 -9.478 1.00 0.00 O ATOM 856 CG2 THR A 51 -0.472 -11.595 -8.883 1.00 0.00 C ATOM 0 H THR A 51 -4.242 -11.051 -7.270 1.00 0.00 H new ATOM 0 HA THR A 51 -1.824 -12.746 -7.070 1.00 0.00 H new ATOM 0 HB THR A 51 -1.705 -10.003 -8.225 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.470 -10.820 -10.295 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.163 -11.081 -9.793 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.266 -11.422 -8.100 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.549 -12.664 -9.079 1.00 0.00 H new ATOM 864 N VAL A 52 -2.702 -9.894 -5.704 1.00 0.00 N ATOM 865 CA VAL A 52 -2.509 -9.007 -4.574 1.00 0.00 C ATOM 866 C VAL A 52 -3.188 -9.582 -3.340 1.00 0.00 C ATOM 867 O VAL A 52 -4.319 -9.224 -3.004 1.00 0.00 O ATOM 868 CB VAL A 52 -3.077 -7.608 -4.883 1.00 0.00 C ATOM 869 CG1 VAL A 52 -2.901 -6.662 -3.707 1.00 0.00 C ATOM 870 CG2 VAL A 52 -2.419 -7.025 -6.118 1.00 0.00 C ATOM 0 H VAL A 52 -3.507 -9.658 -6.284 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.440 -8.914 -4.383 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.145 -7.724 -5.069 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.313 -5.685 -3.961 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.423 -7.061 -2.838 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.840 -6.560 -3.478 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.834 -6.037 -6.319 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.345 -6.941 -5.953 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.605 -7.677 -6.971 1.00 0.00 H new ATOM 880 N VAL A 53 -2.508 -10.511 -2.691 1.00 0.00 N ATOM 881 CA VAL A 53 -3.036 -11.144 -1.497 1.00 0.00 C ATOM 882 C VAL A 53 -1.962 -11.193 -0.409 1.00 0.00 C ATOM 883 O VAL A 53 -1.219 -10.229 -0.231 1.00 0.00 O ATOM 884 CB VAL A 53 -3.588 -12.564 -1.789 1.00 0.00 C ATOM 885 CG1 VAL A 53 -4.759 -12.880 -0.868 1.00 0.00 C ATOM 886 CG2 VAL A 53 -4.016 -12.701 -3.250 1.00 0.00 C ATOM 0 H VAL A 53 -1.586 -10.844 -2.973 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.873 -10.542 -1.144 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.787 -13.279 -1.601 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.134 -13.880 -1.086 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.428 -12.835 0.170 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.554 -12.151 -1.027 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.398 -13.707 -3.424 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.797 -11.973 -3.470 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.159 -12.521 -3.899 1.00 0.00 H new ATOM 896 N SER A 54 -1.846 -12.316 0.280 1.00 0.00 N ATOM 897 CA SER A 54 -0.963 -12.431 1.439 1.00 0.00 C ATOM 898 C SER A 54 0.524 -12.339 1.066 1.00 0.00 C ATOM 899 O SER A 54 1.387 -12.286 1.944 1.00 0.00 O ATOM 900 CB SER A 54 -1.255 -13.751 2.145 1.00 0.00 C ATOM 901 OG SER A 54 -2.409 -14.365 1.590 1.00 0.00 O ATOM 0 H SER A 54 -2.356 -13.171 0.057 1.00 0.00 H new ATOM 0 HA SER A 54 -1.163 -11.589 2.102 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.399 -14.419 2.050 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.405 -13.575 3.210 1.00 0.00 H new ATOM 0 HG SER A 54 -2.152 -14.899 0.810 1.00 0.00 H new ATOM 907 N GLN A 55 0.822 -12.322 -0.227 1.00 0.00 N ATOM 908 CA GLN A 55 2.203 -12.240 -0.694 1.00 0.00 C ATOM 909 C GLN A 55 2.625 -10.790 -0.925 1.00 0.00 C ATOM 910 O GLN A 55 3.806 -10.497 -1.097 1.00 0.00 O ATOM 911 CB GLN A 55 2.375 -13.043 -1.985 1.00 0.00 C ATOM 912 CG GLN A 55 3.583 -13.964 -1.970 1.00 0.00 C ATOM 913 CD GLN A 55 4.865 -13.252 -2.356 1.00 0.00 C ATOM 914 OE1 GLN A 55 5.017 -12.796 -3.489 1.00 0.00 O ATOM 915 NE2 GLN A 55 5.798 -13.156 -1.417 1.00 0.00 N ATOM 0 H GLN A 55 0.127 -12.364 -0.972 1.00 0.00 H new ATOM 0 HA GLN A 55 2.843 -12.663 0.081 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.477 -13.637 -2.156 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.465 -12.353 -2.824 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.696 -14.393 -0.974 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.412 -14.793 -2.657 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.631 -13.548 -0.490 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.682 -12.690 -1.622 1.00 0.00 H new ATOM 924 N LEU A 56 1.661 -9.886 -0.918 1.00 0.00 N ATOM 925 CA LEU A 56 1.941 -8.488 -1.197 1.00 0.00 C ATOM 926 C LEU A 56 1.837 -7.650 0.067 1.00 0.00 C ATOM 927 O LEU A 56 0.792 -7.615 0.718 1.00 0.00 O ATOM 928 CB LEU A 56 0.979 -7.952 -2.259 1.00 0.00 C ATOM 929 CG LEU A 56 1.647 -7.242 -3.438 1.00 0.00 C ATOM 930 CD1 LEU A 56 1.867 -8.216 -4.585 1.00 0.00 C ATOM 931 CD2 LEU A 56 0.809 -6.054 -3.897 1.00 0.00 C ATOM 0 H LEU A 56 0.681 -10.093 -0.723 1.00 0.00 H new ATOM 0 HA LEU A 56 2.961 -8.418 -1.575 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.386 -8.782 -2.643 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.286 -7.259 -1.783 1.00 0.00 H new ATOM 0 HG LEU A 56 2.617 -6.867 -3.110 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.343 -7.697 -5.417 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.508 -9.032 -4.252 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.907 -8.618 -4.910 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.302 -5.563 -4.736 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.176 -6.402 -4.208 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.701 -5.346 -3.075 1.00 0.00 H new ATOM 943 N ARG A 57 2.927 -6.990 0.421 1.00 0.00 N ATOM 944 CA ARG A 57 2.937 -6.079 1.552 1.00 0.00 C ATOM 945 C ARG A 57 3.245 -4.678 1.054 1.00 0.00 C ATOM 946 O ARG A 57 3.971 -4.514 0.074 1.00 0.00 O ATOM 947 CB ARG A 57 3.965 -6.521 2.599 1.00 0.00 C ATOM 948 CG ARG A 57 3.580 -7.794 3.334 1.00 0.00 C ATOM 949 CD ARG A 57 2.303 -7.612 4.134 1.00 0.00 C ATOM 950 NE ARG A 57 1.125 -8.040 3.384 1.00 0.00 N ATOM 951 CZ ARG A 57 0.212 -8.889 3.844 1.00 0.00 C ATOM 952 NH1 ARG A 57 0.341 -9.428 5.051 1.00 0.00 N ATOM 953 NH2 ARG A 57 -0.829 -9.209 3.086 1.00 0.00 N ATOM 0 H ARG A 57 3.822 -7.069 -0.062 1.00 0.00 H new ATOM 0 HA ARG A 57 1.958 -6.087 2.030 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.927 -6.672 2.110 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.099 -5.719 3.325 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.448 -8.604 2.616 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.390 -8.089 4.002 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.371 -8.182 5.060 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.195 -6.564 4.412 1.00 0.00 H new ATOM 0 HE ARG A 57 0.995 -7.662 2.445 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.145 -9.191 5.632 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.364 -10.079 5.397 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -0.926 -8.804 2.155 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -1.533 -9.860 3.434 1.00 0.00 H new ATOM 967 N ILE A 58 2.682 -3.676 1.703 1.00 0.00 N ATOM 968 CA ILE A 58 2.823 -2.308 1.236 1.00 0.00 C ATOM 969 C ILE A 58 3.459 -1.426 2.302 1.00 0.00 C ATOM 970 O ILE A 58 3.072 -1.470 3.474 1.00 0.00 O ATOM 971 CB ILE A 58 1.455 -1.716 0.821 1.00 0.00 C ATOM 972 CG1 ILE A 58 0.773 -2.605 -0.227 1.00 0.00 C ATOM 973 CG2 ILE A 58 1.618 -0.297 0.291 1.00 0.00 C ATOM 974 CD1 ILE A 58 1.534 -2.716 -1.531 1.00 0.00 C ATOM 0 H ILE A 58 2.125 -3.782 2.551 1.00 0.00 H new ATOM 0 HA ILE A 58 3.476 -2.331 0.363 1.00 0.00 H new ATOM 0 HB ILE A 58 0.820 -1.680 1.707 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.640 -3.603 0.190 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.222 -2.210 -0.432 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.643 0.099 0.005 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.053 0.333 1.067 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.275 -0.307 -0.579 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.986 -3.361 -2.218 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.645 -1.726 -1.973 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.520 -3.141 -1.342 1.00 0.00 H new ATOM 986 N CYS A 59 4.457 -0.649 1.890 1.00 0.00 N ATOM 987 CA CYS A 59 5.099 0.314 2.768 1.00 0.00 C ATOM 988 C CYS A 59 4.120 1.400 3.201 1.00 0.00 C ATOM 989 O CYS A 59 3.252 1.812 2.431 1.00 0.00 O ATOM 990 CB CYS A 59 6.289 0.961 2.056 1.00 0.00 C ATOM 991 SG CYS A 59 7.314 -0.211 1.108 1.00 0.00 S ATOM 0 H CYS A 59 4.838 -0.671 0.944 1.00 0.00 H new ATOM 0 HA CYS A 59 5.444 -0.218 3.654 1.00 0.00 H new ATOM 0 HB2 CYS A 59 5.919 1.733 1.381 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.915 1.459 2.796 1.00 0.00 H new ATOM 0 HG CYS A 59 7.766 0.374 0.039 1.00 0.00 H new ATOM 996 N SER A 60 4.287 1.877 4.423 1.00 0.00 N ATOM 997 CA SER A 60 3.475 2.966 4.940 1.00 0.00 C ATOM 998 C SER A 60 3.807 4.271 4.215 1.00 0.00 C ATOM 999 O SER A 60 3.036 5.230 4.239 1.00 0.00 O ATOM 1000 CB SER A 60 3.727 3.110 6.441 1.00 0.00 C ATOM 1001 OG SER A 60 4.744 2.209 6.863 1.00 0.00 O ATOM 0 H SER A 60 4.983 1.524 5.080 1.00 0.00 H new ATOM 0 HA SER A 60 2.422 2.744 4.770 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.022 4.134 6.670 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.807 2.913 6.991 1.00 0.00 H new ATOM 0 HG SER A 60 4.392 1.294 6.861 1.00 0.00 H new ATOM 1007 N ALA A 61 4.956 4.281 3.541 1.00 0.00 N ATOM 1008 CA ALA A 61 5.428 5.460 2.824 1.00 0.00 C ATOM 1009 C ALA A 61 4.609 5.711 1.565 1.00 0.00 C ATOM 1010 O ALA A 61 4.757 6.740 0.913 1.00 0.00 O ATOM 1011 CB ALA A 61 6.894 5.300 2.464 1.00 0.00 C ATOM 0 H ALA A 61 5.581 3.477 3.478 1.00 0.00 H new ATOM 0 HA ALA A 61 5.308 6.321 3.482 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.236 6.186 1.929 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.481 5.177 3.374 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.019 4.422 1.830 1.00 0.00 H new ATOM 1017 N HIS A 62 3.745 4.762 1.223 1.00 0.00 N ATOM 1018 CA HIS A 62 2.887 4.897 0.053 1.00 0.00 C ATOM 1019 C HIS A 62 1.632 5.691 0.414 1.00 0.00 C ATOM 1020 O HIS A 62 0.716 5.862 -0.395 1.00 0.00 O ATOM 1021 CB HIS A 62 2.538 3.515 -0.509 1.00 0.00 C ATOM 1022 CG HIS A 62 3.730 2.806 -1.082 1.00 0.00 C ATOM 1023 ND1 HIS A 62 4.307 3.135 -2.295 1.00 0.00 N ATOM 1024 CD2 HIS A 62 4.490 1.800 -0.563 1.00 0.00 C ATOM 1025 CE1 HIS A 62 5.378 2.339 -2.471 1.00 0.00 C ATOM 1026 NE2 HIS A 62 5.519 1.524 -1.449 1.00 0.00 N ATOM 0 H HIS A 62 3.621 3.891 1.739 1.00 0.00 H new ATOM 0 HA HIS A 62 3.419 5.446 -0.724 1.00 0.00 H new ATOM 0 HB2 HIS A 62 2.103 2.905 0.282 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.778 3.623 -1.283 1.00 0.00 H new ATOM 0 HD1 HIS A 62 3.979 3.853 -2.941 1.00 0.00 H new ATOM 0 HD2 HIS A 62 4.319 1.302 0.380 1.00 0.00 H new ATOM 0 HE1 HIS A 62 6.030 2.366 -3.331 1.00 0.00 H new ATOM 1034 N PHE A 63 1.611 6.165 1.652 1.00 0.00 N ATOM 1035 CA PHE A 63 0.596 7.087 2.132 1.00 0.00 C ATOM 1036 C PHE A 63 1.304 8.326 2.655 1.00 0.00 C ATOM 1037 O PHE A 63 2.344 8.211 3.306 1.00 0.00 O ATOM 1038 CB PHE A 63 -0.240 6.461 3.259 1.00 0.00 C ATOM 1039 CG PHE A 63 -0.782 5.093 2.948 1.00 0.00 C ATOM 1040 CD1 PHE A 63 0.026 3.972 3.061 1.00 0.00 C ATOM 1041 CD2 PHE A 63 -2.097 4.929 2.542 1.00 0.00 C ATOM 1042 CE1 PHE A 63 -0.464 2.715 2.774 1.00 0.00 C ATOM 1043 CE2 PHE A 63 -2.592 3.672 2.256 1.00 0.00 C ATOM 1044 CZ PHE A 63 -1.775 2.566 2.369 1.00 0.00 C ATOM 0 H PHE A 63 2.306 5.917 2.357 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.082 7.335 1.315 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.374 6.399 4.158 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.074 7.125 3.487 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.052 4.084 3.378 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.740 5.792 2.449 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.176 1.850 2.866 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.619 3.555 1.944 1.00 0.00 H new ATOM 0 HZ PHE A 63 -2.161 1.584 2.141 1.00 0.00 H new ATOM 1054 N GLU A 64 0.769 9.504 2.365 1.00 0.00 N ATOM 1055 CA GLU A 64 1.411 10.743 2.787 1.00 0.00 C ATOM 1056 C GLU A 64 1.422 10.855 4.308 1.00 0.00 C ATOM 1057 O GLU A 64 0.397 11.115 4.936 1.00 0.00 O ATOM 1058 CB GLU A 64 0.720 11.959 2.166 1.00 0.00 C ATOM 1059 CG GLU A 64 1.628 12.787 1.263 1.00 0.00 C ATOM 1060 CD GLU A 64 2.988 13.069 1.882 1.00 0.00 C ATOM 1061 OE1 GLU A 64 3.815 12.139 1.977 1.00 0.00 O ATOM 1062 OE2 GLU A 64 3.240 14.225 2.284 1.00 0.00 O ATOM 0 H GLU A 64 -0.099 9.629 1.844 1.00 0.00 H new ATOM 0 HA GLU A 64 2.442 10.722 2.435 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.141 11.621 1.589 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.338 12.596 2.964 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.767 12.262 0.318 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.137 13.733 1.033 1.00 0.00 H new ATOM 1069 N GLY A 65 2.593 10.652 4.890 1.00 0.00 N ATOM 1070 CA GLY A 65 2.733 10.691 6.332 1.00 0.00 C ATOM 1071 C GLY A 65 2.969 9.314 6.913 1.00 0.00 C ATOM 1072 O GLY A 65 3.631 9.168 7.941 1.00 0.00 O ATOM 0 H GLY A 65 3.458 10.459 4.385 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.563 11.345 6.599 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.834 11.122 6.773 1.00 0.00 H new ATOM 1076 N GLY A 66 2.448 8.302 6.231 1.00 0.00 N ATOM 1077 CA GLY A 66 2.561 6.942 6.709 1.00 0.00 C ATOM 1078 C GLY A 66 1.424 6.564 7.636 1.00 0.00 C ATOM 1079 O GLY A 66 1.656 6.145 8.771 1.00 0.00 O ATOM 0 H GLY A 66 1.946 8.403 5.349 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.576 6.260 5.859 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.510 6.820 7.232 1.00 0.00 H new ATOM 1083 N GLU A 67 0.194 6.709 7.157 1.00 0.00 N ATOM 1084 CA GLU A 67 -0.981 6.451 7.977 1.00 0.00 C ATOM 1085 C GLU A 67 -2.114 5.838 7.158 1.00 0.00 C ATOM 1086 O GLU A 67 -2.524 6.390 6.138 1.00 0.00 O ATOM 1087 CB GLU A 67 -1.461 7.749 8.625 1.00 0.00 C ATOM 1088 CG GLU A 67 -0.711 8.106 9.897 1.00 0.00 C ATOM 1089 CD GLU A 67 -1.508 7.789 11.141 1.00 0.00 C ATOM 1090 OE1 GLU A 67 -2.162 6.726 11.186 1.00 0.00 O ATOM 1091 OE2 GLU A 67 -1.502 8.609 12.078 1.00 0.00 O ATOM 0 H GLU A 67 -0.014 7.004 6.203 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.696 5.737 8.749 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.354 8.564 7.909 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.523 7.661 8.852 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.233 7.562 9.924 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.466 9.168 9.886 1.00 0.00 H new ATOM 1098 N LYS A 68 -2.588 4.686 7.608 1.00 0.00 N ATOM 1099 CA LYS A 68 -3.759 4.039 7.031 1.00 0.00 C ATOM 1100 C LYS A 68 -4.968 4.294 7.927 1.00 0.00 C ATOM 1101 O LYS A 68 -5.160 3.608 8.936 1.00 0.00 O ATOM 1102 CB LYS A 68 -3.511 2.540 6.892 1.00 0.00 C ATOM 1103 CG LYS A 68 -4.029 1.955 5.594 1.00 0.00 C ATOM 1104 CD LYS A 68 -4.158 0.448 5.689 1.00 0.00 C ATOM 1105 CE LYS A 68 -4.768 0.022 7.016 1.00 0.00 C ATOM 1106 NZ LYS A 68 -6.256 0.114 7.003 1.00 0.00 N ATOM 0 H LYS A 68 -2.172 4.172 8.384 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.952 4.451 6.041 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.440 2.350 6.964 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.984 2.023 7.727 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.999 2.392 5.356 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.353 2.215 4.779 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.777 0.083 4.869 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.175 -0.010 5.576 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.470 -1.002 7.239 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.373 0.650 7.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.604 0.253 7.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.549 0.918 6.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.655 -0.764 6.615 1.00 0.00 H new ATOM 1120 N LYS A 69 -5.780 5.275 7.573 1.00 0.00 N ATOM 1121 CA LYS A 69 -6.860 5.710 8.444 1.00 0.00 C ATOM 1122 C LYS A 69 -8.219 5.243 7.941 1.00 0.00 C ATOM 1123 O LYS A 69 -8.919 4.506 8.637 1.00 0.00 O ATOM 1124 CB LYS A 69 -6.850 7.232 8.578 1.00 0.00 C ATOM 1125 CG LYS A 69 -6.588 7.711 9.997 1.00 0.00 C ATOM 1126 CD LYS A 69 -5.162 8.208 10.162 1.00 0.00 C ATOM 1127 CE LYS A 69 -4.978 8.935 11.483 1.00 0.00 C ATOM 1128 NZ LYS A 69 -4.295 8.088 12.498 1.00 0.00 N ATOM 0 H LYS A 69 -5.713 5.784 6.692 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.694 5.257 9.421 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.087 7.643 7.917 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.809 7.625 8.241 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.285 8.511 10.246 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.774 6.897 10.697 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.473 7.365 10.110 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.911 8.877 9.339 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.397 9.843 11.319 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.951 9.244 11.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.992 7.743 13.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.843 7.278 12.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.571 8.650 12.989 1.00 0.00 H new ATOM 1142 N GLU A 70 -8.583 5.656 6.739 1.00 0.00 N ATOM 1143 CA GLU A 70 -9.926 5.407 6.232 1.00 0.00 C ATOM 1144 C GLU A 70 -9.890 4.553 4.965 1.00 0.00 C ATOM 1145 O GLU A 70 -9.599 3.356 5.017 1.00 0.00 O ATOM 1146 CB GLU A 70 -10.641 6.735 5.959 1.00 0.00 C ATOM 1147 CG GLU A 70 -11.813 7.005 6.890 1.00 0.00 C ATOM 1148 CD GLU A 70 -11.413 7.023 8.352 1.00 0.00 C ATOM 1149 OE1 GLU A 70 -10.568 7.855 8.735 1.00 0.00 O ATOM 1150 OE2 GLU A 70 -11.951 6.204 9.128 1.00 0.00 O ATOM 0 H GLU A 70 -7.973 6.163 6.097 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.478 4.855 6.992 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.922 7.549 6.050 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.999 6.739 4.929 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.264 7.963 6.630 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -12.576 6.242 6.737 1.00 0.00 H new ATOM 1157 N GLY A 71 -10.197 5.171 3.831 1.00 0.00 N ATOM 1158 CA GLY A 71 -10.171 4.468 2.565 1.00 0.00 C ATOM 1159 C GLY A 71 -8.928 4.807 1.778 1.00 0.00 C ATOM 1160 O GLY A 71 -8.987 5.063 0.576 1.00 0.00 O ATOM 0 H GLY A 71 -10.465 6.153 3.767 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.211 3.393 2.742 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -11.055 4.728 1.983 1.00 0.00 H new ATOM 1164 N ASP A 72 -7.804 4.817 2.470 1.00 0.00 N ATOM 1165 CA ASP A 72 -6.533 5.211 1.885 1.00 0.00 C ATOM 1166 C ASP A 72 -5.984 4.108 0.992 1.00 0.00 C ATOM 1167 O ASP A 72 -5.764 2.986 1.442 1.00 0.00 O ATOM 1168 CB ASP A 72 -5.507 5.539 2.983 1.00 0.00 C ATOM 1169 CG ASP A 72 -6.063 5.365 4.388 1.00 0.00 C ATOM 1170 OD1 ASP A 72 -6.364 4.215 4.773 1.00 0.00 O ATOM 1171 OD2 ASP A 72 -6.211 6.370 5.112 1.00 0.00 O ATOM 0 H ASP A 72 -7.745 4.553 3.453 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.708 6.102 1.282 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.635 4.896 2.861 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.166 6.567 2.858 1.00 0.00 H new ATOM 1176 N ILE A 73 -5.789 4.434 -0.277 1.00 0.00 N ATOM 1177 CA ILE A 73 -5.171 3.521 -1.222 1.00 0.00 C ATOM 1178 C ILE A 73 -3.701 3.888 -1.396 1.00 0.00 C ATOM 1179 O ILE A 73 -3.358 5.065 -1.507 1.00 0.00 O ATOM 1180 CB ILE A 73 -5.892 3.561 -2.591 1.00 0.00 C ATOM 1181 CG1 ILE A 73 -7.311 3.012 -2.451 1.00 0.00 C ATOM 1182 CG2 ILE A 73 -5.126 2.781 -3.653 1.00 0.00 C ATOM 1183 CD1 ILE A 73 -8.340 3.806 -3.222 1.00 0.00 C ATOM 0 H ILE A 73 -6.054 5.334 -0.677 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.253 2.508 -0.828 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.938 4.601 -2.915 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.328 1.978 -2.795 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.586 3.002 -1.396 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.663 2.832 -4.600 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.133 3.212 -3.775 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.034 1.740 -3.344 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -9.325 3.362 -3.078 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.350 4.835 -2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.088 3.795 -4.282 1.00 0.00 H new ATOM 1195 N PRO A 74 -2.814 2.889 -1.413 1.00 0.00 N ATOM 1196 CA PRO A 74 -1.374 3.121 -1.511 1.00 0.00 C ATOM 1197 C PRO A 74 -0.976 3.614 -2.896 1.00 0.00 C ATOM 1198 O PRO A 74 -1.173 2.918 -3.888 1.00 0.00 O ATOM 1199 CB PRO A 74 -0.778 1.739 -1.243 1.00 0.00 C ATOM 1200 CG PRO A 74 -1.835 0.785 -1.681 1.00 0.00 C ATOM 1201 CD PRO A 74 -3.145 1.452 -1.379 1.00 0.00 C ATOM 0 HA PRO A 74 -1.027 3.888 -0.819 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.146 1.591 -1.801 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.538 1.608 -0.188 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -1.745 0.565 -2.745 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.749 -0.163 -1.151 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.905 1.197 -2.118 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.533 1.152 -0.406 1.00 0.00 H new ATOM 1209 N VAL A 75 -0.420 4.813 -2.964 1.00 0.00 N ATOM 1210 CA VAL A 75 -0.038 5.390 -4.242 1.00 0.00 C ATOM 1211 C VAL A 75 1.456 5.210 -4.487 1.00 0.00 C ATOM 1212 O VAL A 75 2.224 4.999 -3.547 1.00 0.00 O ATOM 1213 CB VAL A 75 -0.416 6.885 -4.333 1.00 0.00 C ATOM 1214 CG1 VAL A 75 -1.918 7.033 -4.517 1.00 0.00 C ATOM 1215 CG2 VAL A 75 0.056 7.646 -3.103 1.00 0.00 C ATOM 0 H VAL A 75 -0.224 5.402 -2.155 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.592 4.859 -5.016 1.00 0.00 H new ATOM 0 HB VAL A 75 0.087 7.315 -5.199 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.174 8.091 -4.580 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.223 6.530 -5.435 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.434 6.584 -3.668 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.224 8.695 -3.195 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.409 7.223 -2.213 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.140 7.566 -3.019 1.00 0.00 H new ATOM 1225 N PRO A 76 1.884 5.278 -5.756 1.00 0.00 N ATOM 1226 CA PRO A 76 3.283 5.061 -6.122 1.00 0.00 C ATOM 1227 C PRO A 76 4.192 6.157 -5.579 1.00 0.00 C ATOM 1228 O PRO A 76 5.295 5.890 -5.103 1.00 0.00 O ATOM 1229 CB PRO A 76 3.265 5.075 -7.655 1.00 0.00 C ATOM 1230 CG PRO A 76 2.026 5.817 -8.029 1.00 0.00 C ATOM 1231 CD PRO A 76 1.035 5.579 -6.926 1.00 0.00 C ATOM 0 HA PRO A 76 3.677 4.134 -5.706 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.153 5.566 -8.054 1.00 0.00 H new ATOM 0 HB3 PRO A 76 3.253 4.062 -8.057 1.00 0.00 H new ATOM 0 HG2 PRO A 76 2.231 6.881 -8.143 1.00 0.00 H new ATOM 0 HG3 PRO A 76 1.636 5.464 -8.984 1.00 0.00 H new ATOM 0 HD2 PRO A 76 0.410 6.455 -6.753 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.366 4.751 -7.160 1.00 0.00 H new ATOM 1239 N ASP A 77 3.702 7.386 -5.636 1.00 0.00 N ATOM 1240 CA ASP A 77 4.432 8.537 -5.138 1.00 0.00 C ATOM 1241 C ASP A 77 3.453 9.559 -4.592 1.00 0.00 C ATOM 1242 O ASP A 77 2.785 10.250 -5.358 1.00 0.00 O ATOM 1243 CB ASP A 77 5.275 9.164 -6.253 1.00 0.00 C ATOM 1244 CG ASP A 77 6.357 10.077 -5.711 1.00 0.00 C ATOM 1245 OD1 ASP A 77 6.081 10.838 -4.762 1.00 0.00 O ATOM 1246 OD2 ASP A 77 7.490 10.039 -6.236 1.00 0.00 O ATOM 0 H ASP A 77 2.788 7.611 -6.029 1.00 0.00 H new ATOM 0 HA ASP A 77 5.102 8.212 -4.342 1.00 0.00 H new ATOM 0 HB2 ASP A 77 5.734 8.374 -6.847 1.00 0.00 H new ATOM 0 HB3 ASP A 77 4.626 9.730 -6.922 1.00 0.00 H new ATOM 1251 N PRO A 78 3.342 9.661 -3.263 1.00 0.00 N ATOM 1252 CA PRO A 78 2.418 10.596 -2.618 1.00 0.00 C ATOM 1253 C PRO A 78 2.803 12.055 -2.855 1.00 0.00 C ATOM 1254 O PRO A 78 2.043 12.968 -2.532 1.00 0.00 O ATOM 1255 CB PRO A 78 2.523 10.245 -1.130 1.00 0.00 C ATOM 1256 CG PRO A 78 3.846 9.576 -0.981 1.00 0.00 C ATOM 1257 CD PRO A 78 4.104 8.867 -2.281 1.00 0.00 C ATOM 0 HA PRO A 78 1.408 10.503 -3.016 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.461 11.139 -0.509 1.00 0.00 H new ATOM 0 HB3 PRO A 78 1.711 9.586 -0.822 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.630 10.304 -0.772 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.835 8.872 -0.149 1.00 0.00 H new ATOM 0 HD2 PRO A 78 5.167 8.844 -2.522 1.00 0.00 H new ATOM 0 HD3 PRO A 78 3.762 7.833 -2.249 1.00 0.00 H new ATOM 1265 N THR A 79 3.978 12.269 -3.430 1.00 0.00 N ATOM 1266 CA THR A 79 4.465 13.611 -3.695 1.00 0.00 C ATOM 1267 C THR A 79 4.388 13.948 -5.184 1.00 0.00 C ATOM 1268 O THR A 79 4.709 15.064 -5.596 1.00 0.00 O ATOM 1269 CB THR A 79 5.919 13.767 -3.214 1.00 0.00 C ATOM 1270 OG1 THR A 79 6.446 12.492 -2.816 1.00 0.00 O ATOM 1271 CG2 THR A 79 5.998 14.732 -2.046 1.00 0.00 C ATOM 0 H THR A 79 4.612 11.526 -3.722 1.00 0.00 H new ATOM 0 HA THR A 79 3.825 14.301 -3.146 1.00 0.00 H new ATOM 0 HB THR A 79 6.510 14.164 -4.040 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.614 11.945 -3.611 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.034 14.827 -1.722 1.00 0.00 H new ATOM 0 HG22 THR A 79 5.623 15.708 -2.354 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.393 14.355 -1.221 1.00 0.00 H new ATOM 1279 N VAL A 80 3.961 12.982 -5.990 1.00 0.00 N ATOM 1280 CA VAL A 80 3.908 13.167 -7.437 1.00 0.00 C ATOM 1281 C VAL A 80 2.568 12.705 -8.002 1.00 0.00 C ATOM 1282 O VAL A 80 1.873 13.463 -8.683 1.00 0.00 O ATOM 1283 CB VAL A 80 5.049 12.403 -8.147 1.00 0.00 C ATOM 1284 CG1 VAL A 80 4.858 12.419 -9.656 1.00 0.00 C ATOM 1285 CG2 VAL A 80 6.402 12.994 -7.777 1.00 0.00 C ATOM 0 H VAL A 80 3.648 12.066 -5.668 1.00 0.00 H new ATOM 0 HA VAL A 80 4.028 14.234 -7.624 1.00 0.00 H new ATOM 0 HB VAL A 80 5.020 11.367 -7.811 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.674 11.875 -10.132 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.910 11.944 -9.908 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.853 13.449 -10.011 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.192 12.442 -8.287 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.437 14.041 -8.080 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.548 12.923 -6.699 1.00 0.00 H new ATOM 1295 N ASP A 81 2.203 11.464 -7.704 1.00 0.00 N ATOM 1296 CA ASP A 81 0.984 10.872 -8.240 1.00 0.00 C ATOM 1297 C ASP A 81 -0.221 11.317 -7.432 1.00 0.00 C ATOM 1298 O ASP A 81 -0.077 11.902 -6.356 1.00 0.00 O ATOM 1299 CB ASP A 81 1.081 9.343 -8.241 1.00 0.00 C ATOM 1300 CG ASP A 81 0.385 8.725 -9.437 1.00 0.00 C ATOM 1301 OD1 ASP A 81 0.946 8.787 -10.550 1.00 0.00 O ATOM 1302 OD2 ASP A 81 -0.729 8.188 -9.275 1.00 0.00 O ATOM 0 H ASP A 81 2.736 10.846 -7.092 1.00 0.00 H new ATOM 0 HA ASP A 81 0.863 11.213 -9.268 1.00 0.00 H new ATOM 0 HB2 ASP A 81 2.130 9.047 -8.241 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.640 8.952 -7.324 1.00 0.00 H new ATOM 1307 N LYS A 82 -1.407 11.042 -7.946 1.00 0.00 N ATOM 1308 CA LYS A 82 -2.631 11.447 -7.283 1.00 0.00 C ATOM 1309 C LYS A 82 -3.005 10.444 -6.203 1.00 0.00 C ATOM 1310 O LYS A 82 -3.489 9.354 -6.502 1.00 0.00 O ATOM 1311 CB LYS A 82 -3.772 11.577 -8.293 1.00 0.00 C ATOM 1312 CG LYS A 82 -4.811 12.619 -7.906 1.00 0.00 C ATOM 1313 CD LYS A 82 -5.939 12.685 -8.922 1.00 0.00 C ATOM 1314 CE LYS A 82 -7.198 12.008 -8.403 1.00 0.00 C ATOM 1315 NZ LYS A 82 -8.031 12.932 -7.589 1.00 0.00 N ATOM 0 H LYS A 82 -1.547 10.539 -8.822 1.00 0.00 H new ATOM 0 HA LYS A 82 -2.463 12.419 -6.819 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.356 11.835 -9.267 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.262 10.610 -8.401 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -5.218 12.381 -6.924 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -4.335 13.596 -7.825 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -6.156 13.727 -9.159 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -5.623 12.207 -9.849 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -7.784 11.638 -9.244 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -6.922 11.142 -7.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -8.879 12.431 -7.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -7.481 13.266 -6.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -8.316 13.746 -8.170 1.00 0.00 H new ATOM 1329 N GLN A 83 -2.732 10.813 -4.956 1.00 0.00 N ATOM 1330 CA GLN A 83 -3.116 10.010 -3.800 1.00 0.00 C ATOM 1331 C GLN A 83 -4.583 9.602 -3.890 1.00 0.00 C ATOM 1332 O GLN A 83 -5.478 10.452 -3.938 1.00 0.00 O ATOM 1333 CB GLN A 83 -2.861 10.787 -2.502 1.00 0.00 C ATOM 1334 CG GLN A 83 -2.473 9.904 -1.324 1.00 0.00 C ATOM 1335 CD GLN A 83 -3.643 9.097 -0.797 1.00 0.00 C ATOM 1336 OE1 GLN A 83 -4.652 9.656 -0.374 1.00 0.00 O ATOM 1337 NE2 GLN A 83 -3.516 7.780 -0.825 1.00 0.00 N ATOM 0 H GLN A 83 -2.240 11.674 -4.718 1.00 0.00 H new ATOM 0 HA GLN A 83 -2.507 9.106 -3.794 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -2.068 11.515 -2.675 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -3.759 11.348 -2.243 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -1.675 9.226 -1.629 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -2.074 10.526 -0.523 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -2.660 7.358 -1.185 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -4.274 7.187 -0.487 1.00 0.00 H new ATOM 1346 N ILE A 84 -4.822 8.300 -3.914 1.00 0.00 N ATOM 1347 CA ILE A 84 -6.165 7.783 -4.075 1.00 0.00 C ATOM 1348 C ILE A 84 -6.776 7.446 -2.724 1.00 0.00 C ATOM 1349 O ILE A 84 -6.186 6.716 -1.927 1.00 0.00 O ATOM 1350 CB ILE A 84 -6.211 6.525 -4.975 1.00 0.00 C ATOM 1351 CG1 ILE A 84 -5.197 6.627 -6.116 1.00 0.00 C ATOM 1352 CG2 ILE A 84 -7.610 6.332 -5.534 1.00 0.00 C ATOM 1353 CD1 ILE A 84 -4.502 5.317 -6.422 1.00 0.00 C ATOM 0 H ILE A 84 -4.101 7.585 -3.824 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.741 8.570 -4.561 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.949 5.661 -4.364 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.706 6.978 -7.014 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.448 7.376 -5.860 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.630 5.444 -6.166 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -8.316 6.209 -4.713 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -7.889 7.204 -6.125 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.797 5.462 -7.241 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.965 4.975 -5.537 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.243 4.570 -6.709 1.00 0.00 H new ATOM 1365 N LYS A 85 -7.952 7.989 -2.463 1.00 0.00 N ATOM 1366 CA LYS A 85 -8.663 7.701 -1.233 1.00 0.00 C ATOM 1367 C LYS A 85 -10.149 7.517 -1.526 1.00 0.00 C ATOM 1368 O LYS A 85 -10.728 8.247 -2.332 1.00 0.00 O ATOM 1369 CB LYS A 85 -8.426 8.815 -0.196 1.00 0.00 C ATOM 1370 CG LYS A 85 -9.466 9.929 -0.206 1.00 0.00 C ATOM 1371 CD LYS A 85 -8.985 11.140 -0.988 1.00 0.00 C ATOM 1372 CE LYS A 85 -10.105 11.743 -1.821 1.00 0.00 C ATOM 1373 NZ LYS A 85 -10.060 13.231 -1.822 1.00 0.00 N ATOM 0 H LYS A 85 -8.435 8.633 -3.089 1.00 0.00 H new ATOM 0 HA LYS A 85 -8.281 6.773 -0.808 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.403 8.368 0.798 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -7.443 9.253 -0.372 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -10.393 9.558 -0.644 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.693 10.224 0.818 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.598 11.890 -0.298 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.160 10.850 -1.639 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -10.032 11.377 -2.845 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -11.067 11.410 -1.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.840 13.602 -2.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.155 13.582 -0.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -9.153 13.551 -2.218 1.00 0.00 H new ATOM 1387 N ILE A 86 -10.746 6.518 -0.901 1.00 0.00 N ATOM 1388 CA ILE A 86 -12.169 6.257 -1.054 1.00 0.00 C ATOM 1389 C ILE A 86 -12.961 7.042 -0.017 1.00 0.00 C ATOM 1390 O ILE A 86 -12.573 7.103 1.153 1.00 0.00 O ATOM 1391 CB ILE A 86 -12.487 4.751 -0.900 1.00 0.00 C ATOM 1392 CG1 ILE A 86 -11.518 3.909 -1.727 1.00 0.00 C ATOM 1393 CG2 ILE A 86 -13.922 4.456 -1.306 1.00 0.00 C ATOM 1394 CD1 ILE A 86 -11.016 2.680 -1.003 1.00 0.00 C ATOM 0 H ILE A 86 -10.265 5.869 -0.278 1.00 0.00 H new ATOM 0 HA ILE A 86 -12.455 6.573 -2.057 1.00 0.00 H new ATOM 0 HB ILE A 86 -12.367 4.487 0.151 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -12.012 3.601 -2.649 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.666 4.526 -2.013 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -14.122 3.391 -1.189 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -14.603 5.024 -0.673 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -14.071 4.741 -2.347 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -10.333 2.130 -1.650 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.493 2.981 -0.095 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -11.860 2.042 -0.741 1.00 0.00 H new ATOM 1406 N GLU A 87 -14.058 7.650 -0.445 1.00 0.00 N ATOM 1407 CA GLU A 87 -14.915 8.388 0.465 1.00 0.00 C ATOM 1408 C GLU A 87 -15.724 7.409 1.312 1.00 0.00 C ATOM 1409 O GLU A 87 -16.540 6.639 0.800 1.00 0.00 O ATOM 1410 CB GLU A 87 -15.831 9.366 -0.296 1.00 0.00 C ATOM 1411 CG GLU A 87 -16.767 8.716 -1.306 1.00 0.00 C ATOM 1412 CD GLU A 87 -16.104 8.428 -2.641 1.00 0.00 C ATOM 1413 OE1 GLU A 87 -15.470 7.362 -2.774 1.00 0.00 O ATOM 1414 OE2 GLU A 87 -16.229 9.257 -3.566 1.00 0.00 O ATOM 0 H GLU A 87 -14.373 7.646 -1.415 1.00 0.00 H new ATOM 0 HA GLU A 87 -14.291 8.990 1.126 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -16.429 9.918 0.428 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -15.208 10.094 -0.816 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -17.149 7.784 -0.889 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -17.625 9.368 -1.468 1.00 0.00 H new