USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 598 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 21 ASN : amide:sc= -4.53! K(o=-7!,f=-7.8) USER MOD Set 1.2: A 23 LYS NZ :NH3+ -164:sc= -2.51 (180deg=-2.8) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 150:sc= -0.904 (180deg=-1.65) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0462 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -2.17! C(o=-2.2!,f=-2.4!) USER MOD Single : A 24 THR OG1 : rot -170:sc=-0.00552 USER MOD Single : A 26 LYS NZ :NH3+ -158:sc= -0.116 (180deg=-0.868) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -35:sc= 0.109 USER MOD Single : A 38 LYS NZ :NH3+ 161:sc=-0.00724 (180deg=-0.475) USER MOD Single : A 41 LYS NZ :NH3+ 160:sc= -0.228 (180deg=-1.1) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.0164 K(o=-0.016,f=-0.86) USER MOD Single : A 53 THR OG1 : rot 91:sc= 0.25 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.00726 USER MOD Single : A 57 SER OG : rot 180:sc= -0.0273 USER MOD Single : A 60 SER OG : rot 64:sc= 0.981 USER MOD Single : A 67 SER OG : rot 180:sc= -0.635 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -159:sc= -0.259 (180deg=-1.29!) USER MOD Single : A 76 HIS : no HD1:sc= -0.0322 X(o=-0.032,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 26 N VAL A 3 1.708 13.205 -0.925 1.00 0.00 N ATOM 27 CA VAL A 3 1.016 12.376 0.099 1.00 0.00 C ATOM 28 C VAL A 3 0.703 10.982 -0.453 1.00 0.00 C ATOM 29 O VAL A 3 0.306 10.113 0.293 1.00 0.00 O ATOM 30 CB VAL A 3 -0.309 13.073 0.496 1.00 0.00 C ATOM 31 CG1 VAL A 3 -0.081 14.580 0.610 1.00 0.00 C ATOM 32 CG2 VAL A 3 -1.410 12.816 -0.546 1.00 0.00 C ATOM 0 HA VAL A 3 1.667 12.270 0.966 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.630 12.662 1.453 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.014 15.069 0.889 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.674 14.777 1.371 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.260 14.970 -0.349 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.327 13.319 -0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.092 13.203 -1.514 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.593 11.744 -0.625 1.00 0.00 H new ATOM 42 N TYR A 4 0.817 10.739 -1.741 1.00 0.00 N ATOM 43 CA TYR A 4 0.436 9.374 -2.232 1.00 0.00 C ATOM 44 C TYR A 4 1.507 8.355 -1.827 1.00 0.00 C ATOM 45 O TYR A 4 1.209 7.293 -1.318 1.00 0.00 O ATOM 46 CB TYR A 4 0.228 9.369 -3.752 1.00 0.00 C ATOM 47 CG TYR A 4 -1.185 9.771 -4.109 1.00 0.00 C ATOM 48 CD1 TYR A 4 -2.261 8.993 -3.673 1.00 0.00 C ATOM 49 CD2 TYR A 4 -1.417 10.899 -4.908 1.00 0.00 C ATOM 50 CE1 TYR A 4 -3.566 9.339 -4.034 1.00 0.00 C ATOM 51 CE2 TYR A 4 -2.724 11.249 -5.262 1.00 0.00 C ATOM 52 CZ TYR A 4 -3.799 10.468 -4.826 1.00 0.00 C ATOM 53 OH TYR A 4 -5.089 10.808 -5.180 1.00 0.00 O ATOM 0 H TYR A 4 1.144 11.398 -2.448 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.510 9.094 -1.770 1.00 0.00 H new ATOM 0 HB2 TYR A 4 0.934 10.054 -4.221 1.00 0.00 H new ATOM 0 HB3 TYR A 4 0.438 8.375 -4.148 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -2.084 8.124 -3.057 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -0.586 11.498 -5.250 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -4.396 8.734 -3.701 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -2.903 12.122 -5.872 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.074 11.619 -5.730 1.00 0.00 H new ATOM 63 N CYS A 5 2.751 8.680 -2.042 1.00 0.00 N ATOM 64 CA CYS A 5 3.841 7.744 -1.661 1.00 0.00 C ATOM 65 C CYS A 5 3.707 7.407 -0.171 1.00 0.00 C ATOM 66 O CYS A 5 3.883 6.274 0.235 1.00 0.00 O ATOM 67 CB CYS A 5 5.199 8.398 -1.928 1.00 0.00 C ATOM 68 SG CYS A 5 5.498 8.437 -3.708 1.00 0.00 S ATOM 0 H CYS A 5 3.059 9.555 -2.466 1.00 0.00 H new ATOM 0 HA CYS A 5 3.768 6.830 -2.251 1.00 0.00 H new ATOM 0 HB2 CYS A 5 5.215 9.409 -1.522 1.00 0.00 H new ATOM 0 HB3 CYS A 5 5.990 7.840 -1.426 1.00 0.00 H new ATOM 73 N GLU A 6 3.406 8.375 0.648 1.00 0.00 N ATOM 74 CA GLU A 6 3.272 8.102 2.107 1.00 0.00 C ATOM 75 C GLU A 6 2.174 7.058 2.349 1.00 0.00 C ATOM 76 O GLU A 6 2.333 6.159 3.151 1.00 0.00 O ATOM 77 CB GLU A 6 2.921 9.406 2.831 1.00 0.00 C ATOM 78 CG GLU A 6 2.575 9.115 4.293 1.00 0.00 C ATOM 79 CD GLU A 6 2.594 10.417 5.094 1.00 0.00 C ATOM 80 OE1 GLU A 6 1.572 11.082 5.131 1.00 0.00 O ATOM 81 OE2 GLU A 6 3.631 10.729 5.657 1.00 0.00 O ATOM 0 H GLU A 6 3.247 9.344 0.371 1.00 0.00 H new ATOM 0 HA GLU A 6 4.214 7.712 2.491 1.00 0.00 H new ATOM 0 HB2 GLU A 6 3.761 10.099 2.778 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.078 9.890 2.338 1.00 0.00 H new ATOM 0 HG2 GLU A 6 1.591 8.650 4.359 1.00 0.00 H new ATOM 0 HG3 GLU A 6 3.290 8.408 4.713 1.00 0.00 H new ATOM 88 N VAL A 7 1.060 7.174 1.682 1.00 0.00 N ATOM 89 CA VAL A 7 -0.043 6.191 1.901 1.00 0.00 C ATOM 90 C VAL A 7 0.305 4.821 1.310 1.00 0.00 C ATOM 91 O VAL A 7 0.014 3.802 1.903 1.00 0.00 O ATOM 92 CB VAL A 7 -1.342 6.709 1.280 1.00 0.00 C ATOM 93 CG1 VAL A 7 -2.444 5.656 1.448 1.00 0.00 C ATOM 94 CG2 VAL A 7 -1.761 8.022 1.962 1.00 0.00 C ATOM 0 H VAL A 7 0.864 7.903 0.997 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.177 6.074 2.976 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.185 6.899 0.218 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.370 6.024 1.006 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.145 4.734 0.949 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.601 5.460 2.509 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.686 8.385 1.515 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.917 7.846 3.026 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.977 8.767 1.829 1.00 0.00 H new ATOM 104 N CYS A 8 0.910 4.768 0.152 1.00 0.00 N ATOM 105 CA CYS A 8 1.243 3.444 -0.444 1.00 0.00 C ATOM 106 C CYS A 8 2.128 2.665 0.523 1.00 0.00 C ATOM 107 O CYS A 8 1.908 1.497 0.777 1.00 0.00 O ATOM 108 CB CYS A 8 1.968 3.670 -1.783 1.00 0.00 C ATOM 109 SG CYS A 8 3.745 3.896 -1.532 1.00 0.00 S ATOM 0 H CYS A 8 1.186 5.579 -0.402 1.00 0.00 H new ATOM 0 HA CYS A 8 0.335 2.868 -0.624 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.796 2.818 -2.441 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.554 4.547 -2.281 1.00 0.00 H new ATOM 114 N GLU A 9 3.136 3.293 1.056 1.00 0.00 N ATOM 115 CA GLU A 9 4.030 2.573 1.989 1.00 0.00 C ATOM 116 C GLU A 9 3.276 2.270 3.284 1.00 0.00 C ATOM 117 O GLU A 9 3.555 1.286 3.941 1.00 0.00 O ATOM 118 CB GLU A 9 5.255 3.444 2.304 1.00 0.00 C ATOM 119 CG GLU A 9 6.259 3.370 1.149 1.00 0.00 C ATOM 120 CD GLU A 9 6.945 2.002 1.154 1.00 0.00 C ATOM 121 OE1 GLU A 9 7.756 1.772 2.036 1.00 0.00 O ATOM 122 OE2 GLU A 9 6.647 1.209 0.277 1.00 0.00 O ATOM 0 H GLU A 9 3.376 4.270 0.885 1.00 0.00 H new ATOM 0 HA GLU A 9 4.357 1.640 1.530 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.946 4.477 2.463 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.725 3.106 3.228 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.749 3.529 0.199 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.002 4.161 1.248 1.00 0.00 H new ATOM 129 N PHE A 10 2.317 3.076 3.672 1.00 0.00 N ATOM 130 CA PHE A 10 1.586 2.754 4.927 1.00 0.00 C ATOM 131 C PHE A 10 0.728 1.501 4.712 1.00 0.00 C ATOM 132 O PHE A 10 0.756 0.584 5.509 1.00 0.00 O ATOM 133 CB PHE A 10 0.695 3.923 5.346 1.00 0.00 C ATOM 134 CG PHE A 10 -0.004 3.552 6.629 1.00 0.00 C ATOM 135 CD1 PHE A 10 0.653 3.713 7.854 1.00 0.00 C ATOM 136 CD2 PHE A 10 -1.298 3.022 6.592 1.00 0.00 C ATOM 137 CE1 PHE A 10 0.014 3.350 9.044 1.00 0.00 C ATOM 138 CE2 PHE A 10 -1.938 2.653 7.783 1.00 0.00 C ATOM 139 CZ PHE A 10 -1.281 2.818 9.008 1.00 0.00 C ATOM 0 H PHE A 10 2.018 3.921 3.185 1.00 0.00 H new ATOM 0 HA PHE A 10 2.312 2.571 5.719 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.292 4.824 5.486 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.034 4.142 4.566 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.654 4.118 7.881 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.804 2.897 5.646 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.519 3.480 9.990 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.936 2.242 7.756 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.773 2.535 9.927 1.00 0.00 H new ATOM 149 N LEU A 11 -0.023 1.436 3.640 1.00 0.00 N ATOM 150 CA LEU A 11 -0.849 0.214 3.403 1.00 0.00 C ATOM 151 C LEU A 11 0.091 -0.978 3.237 1.00 0.00 C ATOM 152 O LEU A 11 -0.128 -2.029 3.806 1.00 0.00 O ATOM 153 CB LEU A 11 -1.711 0.362 2.138 1.00 0.00 C ATOM 154 CG LEU A 11 -2.713 1.516 2.310 1.00 0.00 C ATOM 155 CD1 LEU A 11 -3.251 1.935 0.939 1.00 0.00 C ATOM 156 CD2 LEU A 11 -3.891 1.081 3.198 1.00 0.00 C ATOM 0 H LEU A 11 -0.099 2.164 2.930 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.517 0.067 4.252 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.073 0.550 1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.246 -0.568 1.943 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.200 2.353 2.784 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.961 2.753 1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.425 2.263 0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.751 1.088 0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.589 1.911 3.308 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.402 0.236 2.737 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.518 0.788 4.179 1.00 0.00 H new ATOM 168 N VAL A 12 1.142 -0.838 2.469 1.00 0.00 N ATOM 169 CA VAL A 12 2.079 -1.973 2.286 1.00 0.00 C ATOM 170 C VAL A 12 2.642 -2.388 3.656 1.00 0.00 C ATOM 171 O VAL A 12 2.632 -3.547 4.012 1.00 0.00 O ATOM 172 CB VAL A 12 3.218 -1.517 1.363 1.00 0.00 C ATOM 173 CG1 VAL A 12 4.406 -2.476 1.458 1.00 0.00 C ATOM 174 CG2 VAL A 12 2.714 -1.484 -0.082 1.00 0.00 C ATOM 0 H VAL A 12 1.386 0.014 1.964 1.00 0.00 H new ATOM 0 HA VAL A 12 1.566 -2.826 1.842 1.00 0.00 H new ATOM 0 HB VAL A 12 3.542 -0.523 1.672 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.202 -2.135 0.796 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.772 -2.501 2.484 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.091 -3.476 1.161 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.520 -1.161 -0.741 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.383 -2.481 -0.375 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.879 -0.787 -0.160 1.00 0.00 H new ATOM 184 N LYS A 13 3.121 -1.445 4.434 1.00 0.00 N ATOM 185 CA LYS A 13 3.673 -1.795 5.778 1.00 0.00 C ATOM 186 C LYS A 13 2.567 -2.471 6.594 1.00 0.00 C ATOM 187 O LYS A 13 2.782 -3.465 7.258 1.00 0.00 O ATOM 188 CB LYS A 13 4.156 -0.516 6.482 1.00 0.00 C ATOM 189 CG LYS A 13 4.354 -0.772 7.989 1.00 0.00 C ATOM 190 CD LYS A 13 5.365 0.229 8.561 1.00 0.00 C ATOM 191 CE LYS A 13 4.935 1.654 8.210 1.00 0.00 C ATOM 192 NZ LYS A 13 3.474 1.811 8.465 1.00 0.00 N ATOM 0 H LYS A 13 3.153 -0.454 4.196 1.00 0.00 H new ATOM 0 HA LYS A 13 4.519 -2.475 5.679 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.093 -0.181 6.038 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.430 0.284 6.335 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.402 -0.678 8.511 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.707 -1.791 8.150 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.432 0.115 9.643 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.358 0.029 8.158 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.498 2.372 8.806 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.157 1.865 7.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.271 2.797 8.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.943 1.564 7.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.188 1.182 9.242 1.00 0.00 H new ATOM 206 N GLU A 14 1.393 -1.910 6.564 1.00 0.00 N ATOM 207 CA GLU A 14 0.266 -2.478 7.354 1.00 0.00 C ATOM 208 C GLU A 14 -0.161 -3.811 6.744 1.00 0.00 C ATOM 209 O GLU A 14 -0.494 -4.745 7.447 1.00 0.00 O ATOM 210 CB GLU A 14 -0.904 -1.480 7.339 1.00 0.00 C ATOM 211 CG GLU A 14 -1.711 -1.592 8.633 1.00 0.00 C ATOM 212 CD GLU A 14 -2.864 -0.590 8.601 1.00 0.00 C ATOM 213 OE1 GLU A 14 -3.153 -0.087 7.528 1.00 0.00 O ATOM 214 OE2 GLU A 14 -3.437 -0.343 9.649 1.00 0.00 O ATOM 0 H GLU A 14 1.163 -1.077 6.023 1.00 0.00 H new ATOM 0 HA GLU A 14 0.577 -2.651 8.384 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.524 -0.465 7.226 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.548 -1.677 6.482 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.098 -2.605 8.747 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.070 -1.398 9.493 1.00 0.00 H new ATOM 221 N VAL A 15 -0.166 -3.914 5.452 1.00 0.00 N ATOM 222 CA VAL A 15 -0.586 -5.193 4.828 1.00 0.00 C ATOM 223 C VAL A 15 0.456 -6.285 5.105 1.00 0.00 C ATOM 224 O VAL A 15 0.111 -7.397 5.421 1.00 0.00 O ATOM 225 CB VAL A 15 -0.774 -4.992 3.313 1.00 0.00 C ATOM 226 CG1 VAL A 15 -0.696 -6.346 2.585 1.00 0.00 C ATOM 227 CG2 VAL A 15 -2.143 -4.346 3.052 1.00 0.00 C ATOM 0 H VAL A 15 0.100 -3.174 4.802 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.535 -5.510 5.260 1.00 0.00 H new ATOM 0 HB VAL A 15 0.017 -4.343 2.938 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.830 -6.192 1.514 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.278 -6.801 2.767 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.480 -7.005 2.958 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.279 -4.202 1.980 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.931 -4.996 3.434 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.192 -3.381 3.556 1.00 0.00 H new ATOM 237 N THR A 16 1.722 -6.010 4.965 1.00 0.00 N ATOM 238 CA THR A 16 2.694 -7.112 5.202 1.00 0.00 C ATOM 239 C THR A 16 2.590 -7.598 6.644 1.00 0.00 C ATOM 240 O THR A 16 2.692 -8.782 6.903 1.00 0.00 O ATOM 241 CB THR A 16 4.139 -6.701 4.926 1.00 0.00 C ATOM 242 OG1 THR A 16 4.670 -6.051 6.071 1.00 0.00 O ATOM 243 CG2 THR A 16 4.250 -5.764 3.710 1.00 0.00 C ATOM 0 H THR A 16 2.116 -5.105 4.707 1.00 0.00 H new ATOM 0 HA THR A 16 2.435 -7.908 4.504 1.00 0.00 H new ATOM 0 HB THR A 16 4.706 -7.605 4.703 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.598 -5.788 5.897 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.295 -5.497 3.550 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.865 -6.270 2.824 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.669 -4.860 3.893 1.00 0.00 H new ATOM 251 N LYS A 17 2.387 -6.730 7.593 1.00 0.00 N ATOM 252 CA LYS A 17 2.285 -7.235 8.986 1.00 0.00 C ATOM 253 C LYS A 17 1.067 -8.152 9.042 1.00 0.00 C ATOM 254 O LYS A 17 1.028 -9.131 9.760 1.00 0.00 O ATOM 255 CB LYS A 17 2.118 -6.072 9.977 1.00 0.00 C ATOM 256 CG LYS A 17 1.563 -6.610 11.312 1.00 0.00 C ATOM 257 CD LYS A 17 1.909 -5.668 12.463 1.00 0.00 C ATOM 258 CE LYS A 17 1.421 -6.293 13.773 1.00 0.00 C ATOM 259 NZ LYS A 17 1.996 -5.545 14.926 1.00 0.00 N ATOM 0 H LYS A 17 2.290 -5.722 7.471 1.00 0.00 H new ATOM 0 HA LYS A 17 3.192 -7.771 9.264 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.076 -5.580 10.141 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.442 -5.323 9.565 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.481 -6.723 11.242 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.975 -7.600 11.510 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.985 -5.499 12.503 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.440 -4.696 12.310 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.332 -6.268 13.817 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.718 -7.341 13.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.664 -5.970 15.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.034 -5.591 14.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.691 -4.552 14.882 1.00 0.00 H new ATOM 273 N LEU A 18 0.074 -7.826 8.264 1.00 0.00 N ATOM 274 CA LEU A 18 -1.160 -8.647 8.224 1.00 0.00 C ATOM 275 C LEU A 18 -0.813 -9.962 7.518 1.00 0.00 C ATOM 276 O LEU A 18 -1.294 -11.020 7.871 1.00 0.00 O ATOM 277 CB LEU A 18 -2.259 -7.875 7.460 1.00 0.00 C ATOM 278 CG LEU A 18 -2.827 -6.629 8.246 1.00 0.00 C ATOM 279 CD1 LEU A 18 -4.345 -6.749 8.401 1.00 0.00 C ATOM 280 CD2 LEU A 18 -2.233 -6.457 9.658 1.00 0.00 C ATOM 0 H LEU A 18 0.068 -7.014 7.647 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.535 -8.858 9.226 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.856 -7.537 6.505 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.080 -8.556 7.236 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.544 -5.761 7.650 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.725 -5.884 8.945 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.809 -6.791 7.416 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.584 -7.658 8.953 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.673 -5.580 10.133 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.452 -7.342 10.255 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.153 -6.327 9.585 1.00 0.00 H new ATOM 292 N ILE A 19 0.061 -9.902 6.549 1.00 0.00 N ATOM 293 CA ILE A 19 0.494 -11.138 5.845 1.00 0.00 C ATOM 294 C ILE A 19 1.382 -11.916 6.811 1.00 0.00 C ATOM 295 O ILE A 19 1.422 -13.130 6.807 1.00 0.00 O ATOM 296 CB ILE A 19 1.293 -10.765 4.585 1.00 0.00 C ATOM 297 CG1 ILE A 19 0.355 -10.062 3.593 1.00 0.00 C ATOM 298 CG2 ILE A 19 1.876 -12.026 3.935 1.00 0.00 C ATOM 299 CD1 ILE A 19 1.132 -9.620 2.350 1.00 0.00 C ATOM 0 H ILE A 19 0.495 -9.042 6.214 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.365 -11.736 5.540 1.00 0.00 H new ATOM 0 HB ILE A 19 2.113 -10.101 4.859 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.452 -10.736 3.305 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.106 -9.197 4.069 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.439 -11.749 3.044 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.538 -12.527 4.642 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.066 -12.700 3.657 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.455 -9.123 1.655 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.923 -8.929 2.642 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.572 -10.492 1.867 1.00 0.00 H new ATOM 311 N ASP A 20 2.098 -11.206 7.638 1.00 0.00 N ATOM 312 CA ASP A 20 2.999 -11.866 8.616 1.00 0.00 C ATOM 313 C ASP A 20 2.191 -12.436 9.783 1.00 0.00 C ATOM 314 O ASP A 20 2.631 -13.356 10.444 1.00 0.00 O ATOM 315 CB ASP A 20 4.003 -10.840 9.150 1.00 0.00 C ATOM 316 CG ASP A 20 4.701 -10.152 7.976 1.00 0.00 C ATOM 317 OD1 ASP A 20 4.946 -10.818 6.984 1.00 0.00 O ATOM 318 OD2 ASP A 20 4.981 -8.969 8.091 1.00 0.00 O ATOM 0 H ASP A 20 2.095 -10.187 7.676 1.00 0.00 H new ATOM 0 HA ASP A 20 3.526 -12.681 8.119 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.491 -10.101 9.766 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.738 -11.332 9.787 1.00 0.00 H new ATOM 323 N ASN A 21 1.015 -11.904 10.061 1.00 0.00 N ATOM 324 CA ASN A 21 0.220 -12.447 11.213 1.00 0.00 C ATOM 325 C ASN A 21 -0.634 -13.628 10.732 1.00 0.00 C ATOM 326 O ASN A 21 -1.343 -14.236 11.505 1.00 0.00 O ATOM 327 CB ASN A 21 -0.643 -11.354 11.851 1.00 0.00 C ATOM 328 CG ASN A 21 -1.351 -11.918 13.085 1.00 0.00 C ATOM 329 OD1 ASN A 21 -2.274 -11.317 13.598 1.00 0.00 O ATOM 330 ND2 ASN A 21 -0.953 -13.055 13.587 1.00 0.00 N ATOM 0 H ASN A 21 0.582 -11.134 9.551 1.00 0.00 H new ATOM 0 HA ASN A 21 0.905 -12.802 11.983 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.022 -10.503 12.132 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.377 -10.989 11.132 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.417 -13.439 14.410 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.178 -13.559 13.156 1.00 0.00 H new ATOM 337 N ASN A 22 -0.505 -13.998 9.479 1.00 0.00 N ATOM 338 CA ASN A 22 -1.234 -15.205 8.939 1.00 0.00 C ATOM 339 C ASN A 22 -2.718 -14.937 8.639 1.00 0.00 C ATOM 340 O ASN A 22 -3.552 -15.782 8.896 1.00 0.00 O ATOM 341 CB ASN A 22 -1.139 -16.364 9.951 1.00 0.00 C ATOM 342 CG ASN A 22 0.228 -16.339 10.640 1.00 0.00 C ATOM 343 OD1 ASN A 22 0.311 -16.365 11.853 1.00 0.00 O ATOM 344 ND2 ASN A 22 1.311 -16.285 9.914 1.00 0.00 N ATOM 0 H ASN A 22 0.079 -13.514 8.796 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.750 -15.460 7.996 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.932 -16.277 10.693 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.282 -17.317 9.441 1.00 0.00 H new ATOM 0 HD21 ASN A 22 2.226 -16.265 10.364 1.00 0.00 H new ATOM 0 HD22 ASN A 22 1.242 -16.263 8.897 1.00 0.00 H new ATOM 351 N LYS A 23 -3.071 -13.808 8.089 1.00 0.00 N ATOM 352 CA LYS A 23 -4.518 -13.558 7.775 1.00 0.00 C ATOM 353 C LYS A 23 -4.767 -13.938 6.307 1.00 0.00 C ATOM 354 O LYS A 23 -3.887 -13.859 5.475 1.00 0.00 O ATOM 355 CB LYS A 23 -4.846 -12.082 8.013 1.00 0.00 C ATOM 356 CG LYS A 23 -4.141 -11.563 9.305 1.00 0.00 C ATOM 357 CD LYS A 23 -5.120 -10.811 10.228 1.00 0.00 C ATOM 358 CE LYS A 23 -4.402 -10.443 11.527 1.00 0.00 C ATOM 359 NZ LYS A 23 -3.313 -9.467 11.236 1.00 0.00 N ATOM 0 H LYS A 23 -2.433 -13.051 7.843 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.159 -14.159 8.420 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.526 -11.490 7.155 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.925 -11.954 8.105 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.706 -12.404 9.845 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.320 -10.901 9.030 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.487 -9.912 9.734 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.988 -11.434 10.442 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.109 -10.013 12.236 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.988 -11.338 11.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.661 -9.422 12.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.792 -9.770 10.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.725 -8.526 11.071 1.00 0.00 H new ATOM 373 N THR A 24 -5.971 -14.355 5.991 1.00 0.00 N ATOM 374 CA THR A 24 -6.297 -14.749 4.587 1.00 0.00 C ATOM 375 C THR A 24 -6.545 -13.512 3.719 1.00 0.00 C ATOM 376 O THR A 24 -6.808 -12.435 4.214 1.00 0.00 O ATOM 377 CB THR A 24 -7.565 -15.618 4.571 1.00 0.00 C ATOM 378 OG1 THR A 24 -8.707 -14.784 4.428 1.00 0.00 O ATOM 379 CG2 THR A 24 -7.678 -16.403 5.875 1.00 0.00 C ATOM 0 H THR A 24 -6.744 -14.439 6.651 1.00 0.00 H new ATOM 0 HA THR A 24 -5.450 -15.307 4.188 1.00 0.00 H new ATOM 0 HB THR A 24 -7.507 -16.315 3.735 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.519 -15.313 4.575 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.579 -17.016 5.854 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.805 -17.046 5.990 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.730 -15.709 6.714 1.00 0.00 H new ATOM 387 N GLU A 25 -6.490 -13.673 2.424 1.00 0.00 N ATOM 388 CA GLU A 25 -6.750 -12.518 1.515 1.00 0.00 C ATOM 389 C GLU A 25 -8.111 -11.915 1.887 1.00 0.00 C ATOM 390 O GLU A 25 -8.270 -10.714 1.983 1.00 0.00 O ATOM 391 CB GLU A 25 -6.769 -13.014 0.063 1.00 0.00 C ATOM 392 CG GLU A 25 -6.686 -11.827 -0.901 1.00 0.00 C ATOM 393 CD GLU A 25 -7.174 -12.253 -2.289 1.00 0.00 C ATOM 394 OE1 GLU A 25 -8.329 -12.628 -2.399 1.00 0.00 O ATOM 395 OE2 GLU A 25 -6.383 -12.197 -3.216 1.00 0.00 O ATOM 0 H GLU A 25 -6.276 -14.554 1.956 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.971 -11.762 1.617 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.932 -13.691 -0.109 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.681 -13.581 -0.124 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.293 -11.001 -0.529 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.659 -11.466 -0.961 1.00 0.00 H new ATOM 402 N LYS A 26 -9.095 -12.751 2.087 1.00 0.00 N ATOM 403 CA LYS A 26 -10.460 -12.263 2.445 1.00 0.00 C ATOM 404 C LYS A 26 -10.421 -11.376 3.695 1.00 0.00 C ATOM 405 O LYS A 26 -11.205 -10.457 3.830 1.00 0.00 O ATOM 406 CB LYS A 26 -11.376 -13.463 2.703 1.00 0.00 C ATOM 407 CG LYS A 26 -12.778 -12.966 3.062 1.00 0.00 C ATOM 408 CD LYS A 26 -13.774 -14.123 2.970 1.00 0.00 C ATOM 409 CE LYS A 26 -15.192 -13.596 3.191 1.00 0.00 C ATOM 410 NZ LYS A 26 -15.199 -12.659 4.350 1.00 0.00 N ATOM 0 H LYS A 26 -9.010 -13.765 2.017 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.841 -11.669 1.614 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -11.419 -14.098 1.818 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.976 -14.072 3.513 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.780 -12.551 4.070 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.074 -12.164 2.386 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -13.701 -14.602 1.994 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -13.536 -14.881 3.716 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -15.545 -13.086 2.295 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -15.875 -14.425 3.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -16.162 -12.591 4.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -14.555 -13.013 5.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -14.884 -11.718 4.038 1.00 0.00 H new ATOM 424 N GLU A 27 -9.536 -11.637 4.612 1.00 0.00 N ATOM 425 CA GLU A 27 -9.482 -10.797 5.847 1.00 0.00 C ATOM 426 C GLU A 27 -8.822 -9.445 5.542 1.00 0.00 C ATOM 427 O GLU A 27 -9.194 -8.432 6.100 1.00 0.00 O ATOM 428 CB GLU A 27 -8.670 -11.512 6.929 1.00 0.00 C ATOM 429 CG GLU A 27 -9.474 -12.667 7.520 1.00 0.00 C ATOM 430 CD GLU A 27 -8.610 -13.428 8.529 1.00 0.00 C ATOM 431 OE1 GLU A 27 -7.831 -12.786 9.215 1.00 0.00 O ATOM 432 OE2 GLU A 27 -8.743 -14.638 8.598 1.00 0.00 O ATOM 0 H GLU A 27 -8.849 -12.390 4.565 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.501 -10.633 6.197 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.739 -11.888 6.505 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.401 -10.808 7.716 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.372 -12.287 8.008 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.802 -13.339 6.727 1.00 0.00 H new ATOM 439 N ILE A 28 -7.845 -9.411 4.680 1.00 0.00 N ATOM 440 CA ILE A 28 -7.172 -8.116 4.373 1.00 0.00 C ATOM 441 C ILE A 28 -8.169 -7.185 3.693 1.00 0.00 C ATOM 442 O ILE A 28 -8.212 -6.002 3.966 1.00 0.00 O ATOM 443 CB ILE A 28 -5.961 -8.411 3.473 1.00 0.00 C ATOM 444 CG1 ILE A 28 -5.261 -9.680 4.031 1.00 0.00 C ATOM 445 CG2 ILE A 28 -5.017 -7.205 3.447 1.00 0.00 C ATOM 446 CD1 ILE A 28 -3.732 -9.647 3.888 1.00 0.00 C ATOM 0 H ILE A 28 -7.483 -10.220 4.176 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.823 -7.622 5.280 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.271 -8.591 2.444 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.517 -9.794 5.084 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.648 -10.557 3.512 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.163 -7.425 2.807 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.548 -6.336 3.058 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.668 -6.994 4.458 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.308 -10.564 4.298 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.467 -9.564 2.834 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.334 -8.789 4.430 1.00 0.00 H new ATOM 458 N LEU A 29 -8.981 -7.701 2.821 1.00 0.00 N ATOM 459 CA LEU A 29 -9.980 -6.840 2.140 1.00 0.00 C ATOM 460 C LEU A 29 -11.093 -6.461 3.128 1.00 0.00 C ATOM 461 O LEU A 29 -11.686 -5.408 3.041 1.00 0.00 O ATOM 462 CB LEU A 29 -10.561 -7.610 0.955 1.00 0.00 C ATOM 463 CG LEU A 29 -9.413 -8.132 0.080 1.00 0.00 C ATOM 464 CD1 LEU A 29 -9.992 -8.972 -1.062 1.00 0.00 C ATOM 465 CD2 LEU A 29 -8.623 -6.947 -0.504 1.00 0.00 C ATOM 0 H LEU A 29 -8.997 -8.684 2.549 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.508 -5.925 1.783 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -11.171 -8.441 1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -11.214 -6.962 0.370 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.745 -8.744 0.685 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.181 -9.345 -1.687 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.548 -9.813 -0.649 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.660 -8.356 -1.664 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.809 -7.323 -1.124 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.287 -6.331 -1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.213 -6.347 0.309 1.00 0.00 H new ATOM 477 N ASP A 30 -11.366 -7.313 4.080 1.00 0.00 N ATOM 478 CA ASP A 30 -12.417 -6.993 5.092 1.00 0.00 C ATOM 479 C ASP A 30 -11.915 -5.844 5.978 1.00 0.00 C ATOM 480 O ASP A 30 -12.639 -4.914 6.273 1.00 0.00 O ATOM 481 CB ASP A 30 -12.694 -8.226 5.956 1.00 0.00 C ATOM 482 CG ASP A 30 -13.876 -7.943 6.885 1.00 0.00 C ATOM 483 OD1 ASP A 30 -14.786 -7.250 6.459 1.00 0.00 O ATOM 484 OD2 ASP A 30 -13.851 -8.424 8.006 1.00 0.00 O ATOM 0 H ASP A 30 -10.908 -8.216 4.201 1.00 0.00 H new ATOM 0 HA ASP A 30 -13.338 -6.699 4.589 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.913 -9.085 5.322 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.810 -8.479 6.541 1.00 0.00 H new ATOM 489 N ALA A 31 -10.691 -5.916 6.422 1.00 0.00 N ATOM 490 CA ALA A 31 -10.143 -4.848 7.313 1.00 0.00 C ATOM 491 C ALA A 31 -10.012 -3.522 6.548 1.00 0.00 C ATOM 492 O ALA A 31 -10.050 -2.462 7.140 1.00 0.00 O ATOM 493 CB ALA A 31 -8.772 -5.295 7.829 1.00 0.00 C ATOM 0 H ALA A 31 -10.041 -6.672 6.206 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.822 -4.690 8.151 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.360 -4.525 8.481 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.879 -6.225 8.388 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.100 -5.454 6.986 1.00 0.00 H new ATOM 499 N PHE A 32 -9.891 -3.554 5.255 1.00 0.00 N ATOM 500 CA PHE A 32 -9.799 -2.274 4.484 1.00 0.00 C ATOM 501 C PHE A 32 -10.990 -1.381 4.847 1.00 0.00 C ATOM 502 O PHE A 32 -11.051 -0.230 4.465 1.00 0.00 O ATOM 503 CB PHE A 32 -9.852 -2.620 2.987 1.00 0.00 C ATOM 504 CG PHE A 32 -8.490 -3.054 2.450 1.00 0.00 C ATOM 505 CD1 PHE A 32 -7.419 -3.418 3.301 1.00 0.00 C ATOM 506 CD2 PHE A 32 -8.300 -3.079 1.061 1.00 0.00 C ATOM 507 CE1 PHE A 32 -6.187 -3.793 2.752 1.00 0.00 C ATOM 508 CE2 PHE A 32 -7.065 -3.453 0.522 1.00 0.00 C ATOM 509 CZ PHE A 32 -6.009 -3.806 1.366 1.00 0.00 C ATOM 0 H PHE A 32 -9.851 -4.405 4.694 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.874 -1.747 4.719 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -10.576 -3.418 2.825 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.203 -1.753 2.427 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.552 -3.406 4.373 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -9.113 -2.808 0.403 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.371 -4.073 3.402 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.927 -3.469 -0.549 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.055 -4.089 0.947 1.00 0.00 H new ATOM 519 N ASP A 33 -11.951 -1.910 5.552 1.00 0.00 N ATOM 520 CA ASP A 33 -13.152 -1.097 5.903 1.00 0.00 C ATOM 521 C ASP A 33 -12.892 -0.253 7.151 1.00 0.00 C ATOM 522 O ASP A 33 -13.584 0.714 7.397 1.00 0.00 O ATOM 523 CB ASP A 33 -14.330 -2.036 6.168 1.00 0.00 C ATOM 524 CG ASP A 33 -14.625 -2.854 4.909 1.00 0.00 C ATOM 525 OD1 ASP A 33 -13.744 -3.582 4.481 1.00 0.00 O ATOM 526 OD2 ASP A 33 -15.724 -2.737 4.395 1.00 0.00 O ATOM 0 H ASP A 33 -11.958 -2.869 5.900 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.378 -0.429 5.072 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.099 -2.701 7.000 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -15.210 -1.460 6.455 1.00 0.00 H new ATOM 531 N LYS A 34 -11.895 -0.591 7.933 1.00 0.00 N ATOM 532 CA LYS A 34 -11.584 0.213 9.160 1.00 0.00 C ATOM 533 C LYS A 34 -10.083 0.516 9.201 1.00 0.00 C ATOM 534 O LYS A 34 -9.564 0.981 10.197 1.00 0.00 O ATOM 535 CB LYS A 34 -12.002 -0.558 10.417 1.00 0.00 C ATOM 536 CG LYS A 34 -11.245 -1.885 10.508 1.00 0.00 C ATOM 537 CD LYS A 34 -11.711 -2.640 11.756 1.00 0.00 C ATOM 538 CE LYS A 34 -10.772 -3.816 12.035 1.00 0.00 C ATOM 539 NZ LYS A 34 -11.089 -4.398 13.370 1.00 0.00 N ATOM 0 H LYS A 34 -11.281 -1.390 7.775 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.140 1.150 9.128 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.801 0.044 11.303 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.076 -0.746 10.396 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.427 -2.484 9.616 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.171 -1.703 10.557 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.729 -1.967 12.613 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.729 -3.002 11.613 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.882 -4.575 11.260 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.735 -3.481 12.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.451 -5.197 13.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.963 -3.672 14.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.074 -4.731 13.378 1.00 0.00 H new ATOM 553 N MET A 35 -9.375 0.261 8.128 1.00 0.00 N ATOM 554 CA MET A 35 -7.908 0.545 8.119 1.00 0.00 C ATOM 555 C MET A 35 -7.694 2.043 7.876 1.00 0.00 C ATOM 556 O MET A 35 -6.869 2.655 8.526 1.00 0.00 O ATOM 557 CB MET A 35 -7.224 -0.296 7.017 1.00 0.00 C ATOM 558 CG MET A 35 -5.973 -0.989 7.558 1.00 0.00 C ATOM 559 SD MET A 35 -4.959 -1.570 6.171 1.00 0.00 S ATOM 560 CE MET A 35 -5.195 -3.348 6.415 1.00 0.00 C ATOM 0 H MET A 35 -9.748 -0.130 7.263 1.00 0.00 H new ATOM 0 HA MET A 35 -7.465 0.275 9.078 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.922 -1.042 6.637 1.00 0.00 H new ATOM 0 HB3 MET A 35 -6.955 0.346 6.178 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.400 -0.299 8.177 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.255 -1.828 8.194 1.00 0.00 H new ATOM 0 HE1 MET A 35 -4.644 -3.896 5.651 1.00 0.00 H new ATOM 0 HE2 MET A 35 -4.828 -3.632 7.401 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.256 -3.588 6.339 1.00 0.00 H new ATOM 570 N CYS A 36 -8.411 2.666 6.970 1.00 0.00 N ATOM 571 CA CYS A 36 -8.169 4.118 6.784 1.00 0.00 C ATOM 572 C CYS A 36 -8.564 4.805 8.087 1.00 0.00 C ATOM 573 O CYS A 36 -8.455 6.007 8.230 1.00 0.00 O ATOM 574 CB CYS A 36 -8.981 4.687 5.616 1.00 0.00 C ATOM 575 SG CYS A 36 -8.182 6.189 5.017 1.00 0.00 S ATOM 0 H CYS A 36 -9.125 2.246 6.375 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.120 4.291 6.544 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -9.051 3.953 4.814 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -9.999 4.905 5.937 1.00 0.00 H new ATOM 580 N SER A 37 -9.035 4.047 9.036 1.00 0.00 N ATOM 581 CA SER A 37 -9.453 4.658 10.334 1.00 0.00 C ATOM 582 C SER A 37 -8.232 4.949 11.222 1.00 0.00 C ATOM 583 O SER A 37 -8.365 5.539 12.277 1.00 0.00 O ATOM 584 CB SER A 37 -10.392 3.698 11.067 1.00 0.00 C ATOM 585 OG SER A 37 -11.105 4.413 12.067 1.00 0.00 O ATOM 0 H SER A 37 -9.150 3.035 8.973 1.00 0.00 H new ATOM 0 HA SER A 37 -9.964 5.598 10.125 1.00 0.00 H new ATOM 0 HB2 SER A 37 -11.088 3.243 10.363 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.821 2.887 11.520 1.00 0.00 H new ATOM 0 HG SER A 37 -10.527 5.107 12.447 1.00 0.00 H new ATOM 591 N LYS A 38 -7.049 4.535 10.827 1.00 0.00 N ATOM 592 CA LYS A 38 -5.835 4.786 11.682 1.00 0.00 C ATOM 593 C LYS A 38 -5.052 6.012 11.171 1.00 0.00 C ATOM 594 O LYS A 38 -4.061 6.403 11.754 1.00 0.00 O ATOM 595 CB LYS A 38 -4.932 3.539 11.663 1.00 0.00 C ATOM 596 CG LYS A 38 -5.454 2.493 12.657 1.00 0.00 C ATOM 597 CD LYS A 38 -6.845 2.018 12.226 1.00 0.00 C ATOM 598 CE LYS A 38 -7.185 0.710 12.943 1.00 0.00 C ATOM 599 NZ LYS A 38 -6.879 0.846 14.396 1.00 0.00 N ATOM 0 H LYS A 38 -6.869 4.037 9.955 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.158 4.989 12.703 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.905 3.116 10.659 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.910 3.817 11.919 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.768 1.647 12.702 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.500 2.920 13.659 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.589 2.778 12.462 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.872 1.870 11.146 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.239 0.470 12.803 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.611 -0.112 12.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.390 0.113 14.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.856 0.734 14.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.177 1.786 14.727 1.00 0.00 H new ATOM 613 N LEU A 39 -5.497 6.634 10.104 1.00 0.00 N ATOM 614 CA LEU A 39 -4.789 7.852 9.571 1.00 0.00 C ATOM 615 C LEU A 39 -5.625 9.096 9.943 1.00 0.00 C ATOM 616 O LEU A 39 -6.837 9.029 9.886 1.00 0.00 O ATOM 617 CB LEU A 39 -4.690 7.743 8.046 1.00 0.00 C ATOM 618 CG LEU A 39 -3.980 6.438 7.658 1.00 0.00 C ATOM 619 CD1 LEU A 39 -3.980 6.294 6.135 1.00 0.00 C ATOM 620 CD2 LEU A 39 -2.526 6.448 8.167 1.00 0.00 C ATOM 0 H LEU A 39 -6.322 6.353 9.575 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.788 7.930 9.995 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.687 7.769 7.606 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.143 8.597 7.647 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.509 5.600 8.111 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.476 5.368 5.857 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.007 6.271 5.772 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.456 7.140 5.690 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.035 5.517 7.885 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.991 7.289 7.725 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.521 6.546 9.253 1.00 0.00 H new ATOM 632 N PRO A 40 -4.994 10.204 10.313 1.00 0.00 N ATOM 633 CA PRO A 40 -5.748 11.423 10.678 1.00 0.00 C ATOM 634 C PRO A 40 -6.900 11.643 9.673 1.00 0.00 C ATOM 635 O PRO A 40 -6.877 11.125 8.573 1.00 0.00 O ATOM 636 CB PRO A 40 -4.687 12.549 10.662 1.00 0.00 C ATOM 637 CG PRO A 40 -3.290 11.862 10.626 1.00 0.00 C ATOM 638 CD PRO A 40 -3.521 10.352 10.400 1.00 0.00 C ATOM 0 HA PRO A 40 -6.231 11.374 11.654 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.822 13.193 9.793 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.783 13.181 11.545 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.678 12.280 9.827 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.755 12.032 11.560 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.034 10.010 9.487 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.112 9.762 11.220 1.00 0.00 H new ATOM 646 N LYS A 41 -7.922 12.378 10.054 1.00 0.00 N ATOM 647 CA LYS A 41 -9.079 12.589 9.131 1.00 0.00 C ATOM 648 C LYS A 41 -8.666 13.344 7.867 1.00 0.00 C ATOM 649 O LYS A 41 -9.351 13.311 6.863 1.00 0.00 O ATOM 650 CB LYS A 41 -10.206 13.340 9.837 1.00 0.00 C ATOM 651 CG LYS A 41 -11.459 13.314 8.953 1.00 0.00 C ATOM 652 CD LYS A 41 -12.655 13.847 9.744 1.00 0.00 C ATOM 653 CE LYS A 41 -13.921 13.739 8.891 1.00 0.00 C ATOM 654 NZ LYS A 41 -14.068 12.341 8.392 1.00 0.00 N ATOM 0 H LYS A 41 -8.002 12.838 10.961 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.437 11.603 8.835 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.417 12.880 10.802 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.906 14.369 10.034 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.300 13.921 8.061 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.657 12.297 8.615 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.776 13.280 10.667 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.483 14.885 10.028 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.794 14.020 9.480 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.867 14.432 8.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.056 12.174 8.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.448 12.199 7.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.803 11.674 9.145 1.00 0.00 H new ATOM 668 N SER A 42 -7.609 14.103 7.936 1.00 0.00 N ATOM 669 CA SER A 42 -7.226 14.949 6.771 1.00 0.00 C ATOM 670 C SER A 42 -6.609 14.149 5.631 1.00 0.00 C ATOM 671 O SER A 42 -6.314 14.654 4.566 1.00 0.00 O ATOM 672 CB SER A 42 -6.250 16.032 7.224 1.00 0.00 C ATOM 673 OG SER A 42 -6.847 16.799 8.261 1.00 0.00 O ATOM 0 H SER A 42 -6.994 14.175 8.747 1.00 0.00 H new ATOM 0 HA SER A 42 -8.143 15.396 6.386 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.324 15.578 7.578 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.988 16.676 6.384 1.00 0.00 H new ATOM 0 HG SER A 42 -6.222 17.494 8.555 1.00 0.00 H new ATOM 679 N LEU A 43 -6.376 12.894 5.895 1.00 0.00 N ATOM 680 CA LEU A 43 -5.730 11.978 4.915 1.00 0.00 C ATOM 681 C LEU A 43 -6.761 10.918 4.524 1.00 0.00 C ATOM 682 O LEU A 43 -6.525 10.082 3.675 1.00 0.00 O ATOM 683 CB LEU A 43 -4.526 11.336 5.660 1.00 0.00 C ATOM 684 CG LEU A 43 -3.211 11.558 4.916 1.00 0.00 C ATOM 685 CD1 LEU A 43 -2.994 13.053 4.569 1.00 0.00 C ATOM 686 CD2 LEU A 43 -2.041 11.045 5.771 1.00 0.00 C ATOM 0 H LEU A 43 -6.616 12.451 6.782 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.388 12.481 4.011 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.452 11.759 6.662 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.700 10.266 5.777 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.257 11.003 3.979 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.048 13.170 4.040 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.809 13.401 3.935 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.972 13.640 5.487 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.104 11.204 5.238 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.017 11.586 6.717 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.172 9.980 5.965 1.00 0.00 H new ATOM 698 N SER A 44 -7.888 10.951 5.159 1.00 0.00 N ATOM 699 CA SER A 44 -8.968 9.960 4.873 1.00 0.00 C ATOM 700 C SER A 44 -9.062 9.673 3.371 1.00 0.00 C ATOM 701 O SER A 44 -8.953 8.557 2.908 1.00 0.00 O ATOM 702 CB SER A 44 -10.303 10.530 5.353 1.00 0.00 C ATOM 703 OG SER A 44 -11.353 9.652 4.970 1.00 0.00 O ATOM 0 H SER A 44 -8.119 11.634 5.881 1.00 0.00 H new ATOM 0 HA SER A 44 -8.737 9.030 5.393 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.292 10.651 6.436 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.465 11.519 4.923 1.00 0.00 H new ATOM 0 HG SER A 44 -12.210 10.014 5.278 1.00 0.00 H new ATOM 709 N GLU A 45 -9.438 10.701 2.652 1.00 0.00 N ATOM 710 CA GLU A 45 -9.767 10.631 1.196 1.00 0.00 C ATOM 711 C GLU A 45 -8.737 10.058 0.232 1.00 0.00 C ATOM 712 O GLU A 45 -9.002 9.126 -0.501 1.00 0.00 O ATOM 713 CB GLU A 45 -10.022 12.066 0.731 1.00 0.00 C ATOM 714 CG GLU A 45 -11.169 12.679 1.538 1.00 0.00 C ATOM 715 CD GLU A 45 -11.391 14.124 1.085 1.00 0.00 C ATOM 716 OE1 GLU A 45 -10.414 14.779 0.762 1.00 0.00 O ATOM 717 OE2 GLU A 45 -12.534 14.551 1.071 1.00 0.00 O ATOM 0 H GLU A 45 -9.535 11.639 3.041 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.604 9.934 1.153 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.119 12.664 0.855 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.267 12.075 -0.331 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -12.080 12.097 1.396 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.935 12.651 2.602 1.00 0.00 H new ATOM 724 N GLU A 46 -7.568 10.610 0.229 1.00 0.00 N ATOM 725 CA GLU A 46 -6.519 10.108 -0.683 1.00 0.00 C ATOM 726 C GLU A 46 -6.313 8.620 -0.445 1.00 0.00 C ATOM 727 O GLU A 46 -5.812 7.918 -1.294 1.00 0.00 O ATOM 728 CB GLU A 46 -5.223 10.866 -0.418 1.00 0.00 C ATOM 729 CG GLU A 46 -4.804 10.659 1.034 1.00 0.00 C ATOM 730 CD GLU A 46 -3.605 11.552 1.355 1.00 0.00 C ATOM 731 OE1 GLU A 46 -3.756 12.760 1.284 1.00 0.00 O ATOM 732 OE2 GLU A 46 -2.555 11.012 1.664 1.00 0.00 O ATOM 0 H GLU A 46 -7.291 11.392 0.822 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.820 10.263 -1.719 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.439 10.514 -1.088 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.362 11.928 -0.620 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.634 10.895 1.700 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.547 9.613 1.203 1.00 0.00 H new ATOM 739 N CYS A 47 -6.706 8.120 0.689 1.00 0.00 N ATOM 740 CA CYS A 47 -6.535 6.669 0.944 1.00 0.00 C ATOM 741 C CYS A 47 -7.678 5.921 0.260 1.00 0.00 C ATOM 742 O CYS A 47 -7.480 4.895 -0.359 1.00 0.00 O ATOM 743 CB CYS A 47 -6.564 6.427 2.467 1.00 0.00 C ATOM 744 SG CYS A 47 -8.232 5.967 3.016 1.00 0.00 S ATOM 0 H CYS A 47 -7.136 8.651 1.446 1.00 0.00 H new ATOM 0 HA CYS A 47 -5.585 6.312 0.548 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.860 5.637 2.728 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -6.240 7.327 2.989 1.00 0.00 H new ATOM 749 N GLN A 48 -8.869 6.423 0.371 1.00 0.00 N ATOM 750 CA GLN A 48 -10.017 5.731 -0.269 1.00 0.00 C ATOM 751 C GLN A 48 -9.708 5.499 -1.745 1.00 0.00 C ATOM 752 O GLN A 48 -10.009 4.458 -2.295 1.00 0.00 O ATOM 753 CB GLN A 48 -11.279 6.589 -0.135 1.00 0.00 C ATOM 754 CG GLN A 48 -12.455 5.871 -0.801 1.00 0.00 C ATOM 755 CD GLN A 48 -13.754 6.617 -0.487 1.00 0.00 C ATOM 756 OE1 GLN A 48 -13.956 7.067 0.623 1.00 0.00 O ATOM 757 NE2 GLN A 48 -14.648 6.766 -1.425 1.00 0.00 N ATOM 0 H GLN A 48 -9.099 7.279 0.875 1.00 0.00 H new ATOM 0 HA GLN A 48 -10.183 4.773 0.223 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -11.498 6.771 0.917 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -11.122 7.562 -0.601 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -12.302 5.824 -1.879 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -12.518 4.844 -0.442 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -14.477 6.388 -2.357 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -15.518 7.261 -1.227 1.00 0.00 H new ATOM 766 N GLU A 49 -9.120 6.465 -2.397 1.00 0.00 N ATOM 767 CA GLU A 49 -8.807 6.308 -3.841 1.00 0.00 C ATOM 768 C GLU A 49 -7.707 5.260 -4.044 1.00 0.00 C ATOM 769 O GLU A 49 -7.766 4.457 -4.953 1.00 0.00 O ATOM 770 CB GLU A 49 -8.339 7.652 -4.409 1.00 0.00 C ATOM 771 CG GLU A 49 -9.543 8.582 -4.587 1.00 0.00 C ATOM 772 CD GLU A 49 -10.285 8.717 -3.258 1.00 0.00 C ATOM 773 OE1 GLU A 49 -11.088 7.848 -2.958 1.00 0.00 O ATOM 774 OE2 GLU A 49 -10.041 9.688 -2.560 1.00 0.00 O ATOM 0 H GLU A 49 -8.843 7.358 -1.988 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.707 5.977 -4.360 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.611 8.108 -3.738 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.840 7.500 -5.366 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.211 9.562 -4.931 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.212 8.185 -5.350 1.00 0.00 H new ATOM 781 N VAL A 50 -6.704 5.252 -3.200 1.00 0.00 N ATOM 782 CA VAL A 50 -5.621 4.242 -3.360 1.00 0.00 C ATOM 783 C VAL A 50 -6.173 2.860 -3.036 1.00 0.00 C ATOM 784 O VAL A 50 -6.010 1.922 -3.790 1.00 0.00 O ATOM 785 CB VAL A 50 -4.448 4.529 -2.413 1.00 0.00 C ATOM 786 CG1 VAL A 50 -3.321 3.527 -2.681 1.00 0.00 C ATOM 787 CG2 VAL A 50 -3.928 5.956 -2.639 1.00 0.00 C ATOM 0 H VAL A 50 -6.592 5.895 -2.416 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.264 4.288 -4.389 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.788 4.432 -1.382 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.487 3.729 -2.009 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.686 2.514 -2.511 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.987 3.623 -3.714 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.096 6.151 -1.963 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.590 6.061 -3.670 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.728 6.670 -2.445 1.00 0.00 H new ATOM 797 N VAL A 51 -6.797 2.715 -1.895 1.00 0.00 N ATOM 798 CA VAL A 51 -7.319 1.380 -1.507 1.00 0.00 C ATOM 799 C VAL A 51 -8.352 0.901 -2.535 1.00 0.00 C ATOM 800 O VAL A 51 -8.291 -0.205 -3.030 1.00 0.00 O ATOM 801 CB VAL A 51 -7.889 1.449 -0.084 1.00 0.00 C ATOM 802 CG1 VAL A 51 -8.318 0.063 0.376 1.00 0.00 C ATOM 803 CG2 VAL A 51 -6.816 1.986 0.871 1.00 0.00 C ATOM 0 H VAL A 51 -6.965 3.462 -1.221 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.513 0.646 -1.502 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.754 2.112 -0.081 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.721 0.124 1.387 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.083 -0.323 -0.297 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.457 -0.606 0.368 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.220 2.035 1.882 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.952 1.322 0.858 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.512 2.983 0.553 1.00 0.00 H new ATOM 813 N ASP A 52 -9.339 1.715 -2.799 1.00 0.00 N ATOM 814 CA ASP A 52 -10.439 1.317 -3.729 1.00 0.00 C ATOM 815 C ASP A 52 -9.941 1.082 -5.157 1.00 0.00 C ATOM 816 O ASP A 52 -10.352 0.149 -5.819 1.00 0.00 O ATOM 817 CB ASP A 52 -11.497 2.425 -3.744 1.00 0.00 C ATOM 818 CG ASP A 52 -12.010 2.658 -2.321 1.00 0.00 C ATOM 819 OD1 ASP A 52 -11.218 2.538 -1.400 1.00 0.00 O ATOM 820 OD2 ASP A 52 -13.185 2.953 -2.177 1.00 0.00 O ATOM 0 H ASP A 52 -9.432 2.651 -2.405 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.856 0.377 -3.369 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.070 3.345 -4.144 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -12.323 2.146 -4.399 1.00 0.00 H new ATOM 825 N THR A 53 -9.081 1.930 -5.649 1.00 0.00 N ATOM 826 CA THR A 53 -8.585 1.767 -7.044 1.00 0.00 C ATOM 827 C THR A 53 -7.385 0.830 -7.089 1.00 0.00 C ATOM 828 O THR A 53 -7.259 0.040 -8.003 1.00 0.00 O ATOM 829 CB THR A 53 -8.181 3.138 -7.594 1.00 0.00 C ATOM 830 OG1 THR A 53 -9.254 4.052 -7.417 1.00 0.00 O ATOM 831 CG2 THR A 53 -7.851 3.018 -9.083 1.00 0.00 C ATOM 0 H THR A 53 -8.700 2.730 -5.144 1.00 0.00 H new ATOM 0 HA THR A 53 -9.381 1.336 -7.651 1.00 0.00 H new ATOM 0 HB THR A 53 -7.303 3.499 -7.059 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.156 4.508 -6.555 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.564 3.995 -9.472 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.027 2.317 -9.218 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.727 2.656 -9.622 1.00 0.00 H new ATOM 839 N TYR A 54 -6.483 0.918 -6.144 1.00 0.00 N ATOM 840 CA TYR A 54 -5.271 0.038 -6.182 1.00 0.00 C ATOM 841 C TYR A 54 -5.281 -1.016 -5.069 1.00 0.00 C ATOM 842 O TYR A 54 -4.256 -1.393 -4.543 1.00 0.00 O ATOM 843 CB TYR A 54 -4.027 0.904 -6.050 1.00 0.00 C ATOM 844 CG TYR A 54 -3.906 1.795 -7.264 1.00 0.00 C ATOM 845 CD1 TYR A 54 -4.522 3.047 -7.265 1.00 0.00 C ATOM 846 CD2 TYR A 54 -3.176 1.375 -8.382 1.00 0.00 C ATOM 847 CE1 TYR A 54 -4.416 3.884 -8.376 1.00 0.00 C ATOM 848 CE2 TYR A 54 -3.069 2.212 -9.501 1.00 0.00 C ATOM 849 CZ TYR A 54 -3.689 3.468 -9.498 1.00 0.00 C ATOM 850 OH TYR A 54 -3.583 4.293 -10.599 1.00 0.00 O ATOM 0 H TYR A 54 -6.531 1.557 -5.351 1.00 0.00 H new ATOM 0 HA TYR A 54 -5.273 -0.494 -7.133 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.086 1.509 -5.145 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -3.141 0.276 -5.956 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -5.084 3.370 -6.401 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -2.696 0.408 -8.382 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.894 4.852 -8.371 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -2.508 1.889 -10.366 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.044 3.851 -11.288 1.00 0.00 H new ATOM 860 N GLY A 55 -6.447 -1.460 -4.677 1.00 0.00 N ATOM 861 CA GLY A 55 -6.543 -2.449 -3.567 1.00 0.00 C ATOM 862 C GLY A 55 -6.263 -3.871 -4.049 1.00 0.00 C ATOM 863 O GLY A 55 -5.433 -4.562 -3.493 1.00 0.00 O ATOM 0 H GLY A 55 -7.340 -1.178 -5.081 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.834 -2.185 -2.782 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.538 -2.404 -3.125 1.00 0.00 H new ATOM 867 N SER A 56 -6.955 -4.337 -5.054 1.00 0.00 N ATOM 868 CA SER A 56 -6.706 -5.731 -5.505 1.00 0.00 C ATOM 869 C SER A 56 -5.320 -5.830 -6.119 1.00 0.00 C ATOM 870 O SER A 56 -4.704 -6.877 -6.137 1.00 0.00 O ATOM 871 CB SER A 56 -7.744 -6.155 -6.542 1.00 0.00 C ATOM 872 OG SER A 56 -9.009 -5.604 -6.198 1.00 0.00 O ATOM 0 H SER A 56 -7.668 -3.823 -5.572 1.00 0.00 H new ATOM 0 HA SER A 56 -6.778 -6.391 -4.641 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.444 -5.814 -7.533 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.808 -7.242 -6.585 1.00 0.00 H new ATOM 0 HG SER A 56 -9.675 -5.874 -6.864 1.00 0.00 H new ATOM 878 N SER A 57 -4.857 -4.754 -6.698 1.00 0.00 N ATOM 879 CA SER A 57 -3.547 -4.808 -7.393 1.00 0.00 C ATOM 880 C SER A 57 -2.391 -4.817 -6.396 1.00 0.00 C ATOM 881 O SER A 57 -1.511 -5.646 -6.475 1.00 0.00 O ATOM 882 CB SER A 57 -3.407 -3.643 -8.373 1.00 0.00 C ATOM 883 OG SER A 57 -3.444 -2.418 -7.653 1.00 0.00 O ATOM 0 H SER A 57 -5.328 -3.849 -6.718 1.00 0.00 H new ATOM 0 HA SER A 57 -3.507 -5.739 -7.958 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.470 -3.726 -8.924 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.212 -3.671 -9.107 1.00 0.00 H new ATOM 0 HG SER A 57 -3.353 -1.668 -8.278 1.00 0.00 H new ATOM 889 N ILE A 58 -2.410 -3.945 -5.421 1.00 0.00 N ATOM 890 CA ILE A 58 -1.327 -3.954 -4.399 1.00 0.00 C ATOM 891 C ILE A 58 -1.285 -5.335 -3.758 1.00 0.00 C ATOM 892 O ILE A 58 -0.278 -6.013 -3.723 1.00 0.00 O ATOM 893 CB ILE A 58 -1.631 -2.913 -3.304 1.00 0.00 C ATOM 894 CG1 ILE A 58 -1.380 -1.500 -3.854 1.00 0.00 C ATOM 895 CG2 ILE A 58 -0.722 -3.165 -2.084 1.00 0.00 C ATOM 896 CD1 ILE A 58 -1.829 -0.453 -2.826 1.00 0.00 C ATOM 0 H ILE A 58 -3.126 -3.231 -5.291 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.374 -3.715 -4.872 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.674 -3.001 -3.000 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.321 -1.371 -4.079 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.924 -1.362 -4.788 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.938 -2.428 -1.311 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.907 -4.166 -1.693 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.322 -3.080 -2.385 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.648 0.546 -3.222 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.893 -0.576 -2.622 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.265 -0.585 -1.902 1.00 0.00 H new ATOM 908 N LEU A 59 -2.408 -5.721 -3.239 1.00 0.00 N ATOM 909 CA LEU A 59 -2.547 -7.028 -2.560 1.00 0.00 C ATOM 910 C LEU A 59 -2.196 -8.149 -3.537 1.00 0.00 C ATOM 911 O LEU A 59 -1.842 -9.234 -3.128 1.00 0.00 O ATOM 912 CB LEU A 59 -4.000 -7.157 -2.083 1.00 0.00 C ATOM 913 CG LEU A 59 -4.271 -8.555 -1.508 1.00 0.00 C ATOM 914 CD1 LEU A 59 -3.239 -8.879 -0.417 1.00 0.00 C ATOM 915 CD2 LEU A 59 -5.692 -8.601 -0.904 1.00 0.00 C ATOM 0 H LEU A 59 -3.263 -5.165 -3.259 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.872 -7.099 -1.707 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.205 -6.402 -1.324 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.678 -6.965 -2.915 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.192 -9.292 -2.307 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.436 -9.872 -0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.237 -8.854 -0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.311 -8.141 0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.882 -9.594 -0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.773 -7.861 -0.108 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.425 -8.381 -1.680 1.00 0.00 H new ATOM 927 N SER A 60 -2.309 -7.938 -4.821 1.00 0.00 N ATOM 928 CA SER A 60 -1.996 -9.063 -5.756 1.00 0.00 C ATOM 929 C SER A 60 -0.479 -9.172 -5.969 1.00 0.00 C ATOM 930 O SER A 60 0.066 -10.250 -6.111 1.00 0.00 O ATOM 931 CB SER A 60 -2.686 -8.806 -7.090 1.00 0.00 C ATOM 932 OG SER A 60 -4.077 -9.063 -6.959 1.00 0.00 O ATOM 0 H SER A 60 -2.596 -7.062 -5.257 1.00 0.00 H new ATOM 0 HA SER A 60 -2.355 -9.999 -5.327 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.523 -7.775 -7.403 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.258 -9.445 -7.862 1.00 0.00 H new ATOM 0 HG SER A 60 -4.467 -8.432 -6.319 1.00 0.00 H new ATOM 938 N ILE A 61 0.200 -8.053 -6.001 1.00 0.00 N ATOM 939 CA ILE A 61 1.681 -8.059 -6.211 1.00 0.00 C ATOM 940 C ILE A 61 2.391 -8.645 -4.985 1.00 0.00 C ATOM 941 O ILE A 61 3.297 -9.445 -5.101 1.00 0.00 O ATOM 942 CB ILE A 61 2.169 -6.614 -6.423 1.00 0.00 C ATOM 943 CG1 ILE A 61 1.222 -5.862 -7.418 1.00 0.00 C ATOM 944 CG2 ILE A 61 3.616 -6.651 -6.929 1.00 0.00 C ATOM 945 CD1 ILE A 61 2.002 -5.153 -8.539 1.00 0.00 C ATOM 0 H ILE A 61 -0.212 -7.127 -5.890 1.00 0.00 H new ATOM 0 HA ILE A 61 1.910 -8.669 -7.085 1.00 0.00 H new ATOM 0 HB ILE A 61 2.144 -6.065 -5.481 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.522 -6.572 -7.858 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.630 -5.129 -6.870 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.974 -5.633 -7.083 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.246 -7.149 -6.193 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.658 -7.197 -7.871 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.303 -4.646 -9.204 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.683 -4.422 -8.102 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.573 -5.888 -9.106 1.00 0.00 H new ATOM 957 N LEU A 62 2.001 -8.224 -3.815 1.00 0.00 N ATOM 958 CA LEU A 62 2.664 -8.719 -2.574 1.00 0.00 C ATOM 959 C LEU A 62 2.758 -10.251 -2.586 1.00 0.00 C ATOM 960 O LEU A 62 3.704 -10.825 -2.086 1.00 0.00 O ATOM 961 CB LEU A 62 1.841 -8.262 -1.360 1.00 0.00 C ATOM 962 CG LEU A 62 2.191 -6.793 -0.996 1.00 0.00 C ATOM 963 CD1 LEU A 62 0.923 -6.044 -0.580 1.00 0.00 C ATOM 964 CD2 LEU A 62 3.193 -6.766 0.166 1.00 0.00 C ATOM 0 H LEU A 62 1.247 -7.554 -3.663 1.00 0.00 H new ATOM 0 HA LEU A 62 3.674 -8.314 -2.519 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.777 -8.346 -1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.042 -8.913 -0.509 1.00 0.00 H new ATOM 0 HG LEU A 62 2.631 -6.311 -1.869 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.175 -5.014 -0.326 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.210 -6.050 -1.404 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.479 -6.533 0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.433 -5.732 0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.755 -7.257 1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.103 -7.290 -0.126 1.00 0.00 H new ATOM 976 N LEU A 63 1.776 -10.915 -3.131 1.00 0.00 N ATOM 977 CA LEU A 63 1.808 -12.403 -3.146 1.00 0.00 C ATOM 978 C LEU A 63 2.790 -12.912 -4.203 1.00 0.00 C ATOM 979 O LEU A 63 3.156 -14.071 -4.204 1.00 0.00 O ATOM 980 CB LEU A 63 0.400 -12.949 -3.413 1.00 0.00 C ATOM 981 CG LEU A 63 -0.603 -12.272 -2.470 1.00 0.00 C ATOM 982 CD1 LEU A 63 -1.974 -12.937 -2.621 1.00 0.00 C ATOM 983 CD2 LEU A 63 -0.127 -12.405 -1.016 1.00 0.00 C ATOM 0 H LEU A 63 0.956 -10.492 -3.565 1.00 0.00 H new ATOM 0 HA LEU A 63 2.147 -12.757 -2.172 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.119 -12.767 -4.450 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.383 -14.029 -3.263 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.678 -11.215 -2.726 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.687 -12.457 -1.951 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.317 -12.834 -3.651 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.895 -13.995 -2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.844 -11.922 -0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.045 -13.460 -0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.847 -11.928 -0.907 1.00 0.00 H new ATOM 995 N GLU A 64 3.226 -12.070 -5.106 1.00 0.00 N ATOM 996 CA GLU A 64 4.186 -12.541 -6.149 1.00 0.00 C ATOM 997 C GLU A 64 5.607 -12.429 -5.595 1.00 0.00 C ATOM 998 O GLU A 64 6.568 -12.270 -6.322 1.00 0.00 O ATOM 999 CB GLU A 64 4.039 -11.707 -7.426 1.00 0.00 C ATOM 1000 CG GLU A 64 2.806 -12.160 -8.210 1.00 0.00 C ATOM 1001 CD GLU A 64 2.783 -11.461 -9.571 1.00 0.00 C ATOM 1002 OE1 GLU A 64 3.842 -11.324 -10.161 1.00 0.00 O ATOM 1003 OE2 GLU A 64 1.708 -11.077 -9.999 1.00 0.00 O ATOM 0 H GLU A 64 2.962 -11.087 -5.166 1.00 0.00 H new ATOM 0 HA GLU A 64 3.974 -13.580 -6.402 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.950 -10.651 -7.172 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.931 -11.812 -8.043 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.824 -13.241 -8.345 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.900 -11.924 -7.652 1.00 0.00 H new ATOM 1010 N GLU A 65 5.733 -12.566 -4.304 1.00 0.00 N ATOM 1011 CA GLU A 65 7.078 -12.535 -3.664 1.00 0.00 C ATOM 1012 C GLU A 65 7.911 -11.335 -4.134 1.00 0.00 C ATOM 1013 O GLU A 65 9.125 -11.384 -4.169 1.00 0.00 O ATOM 1014 CB GLU A 65 7.817 -13.805 -4.087 1.00 0.00 C ATOM 1015 CG GLU A 65 7.083 -15.030 -3.536 1.00 0.00 C ATOM 1016 CD GLU A 65 7.267 -15.096 -2.019 1.00 0.00 C ATOM 1017 OE1 GLU A 65 8.256 -15.665 -1.586 1.00 0.00 O ATOM 1018 OE2 GLU A 65 6.417 -14.575 -1.316 1.00 0.00 O ATOM 0 H GLU A 65 4.954 -12.699 -3.659 1.00 0.00 H new ATOM 0 HA GLU A 65 6.946 -12.461 -2.584 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.874 -13.860 -5.174 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.841 -13.784 -3.715 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.023 -14.973 -3.782 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.469 -15.938 -4.000 1.00 0.00 H new ATOM 1025 N VAL A 66 7.265 -10.247 -4.462 1.00 0.00 N ATOM 1026 CA VAL A 66 7.999 -9.017 -4.894 1.00 0.00 C ATOM 1027 C VAL A 66 8.269 -8.161 -3.643 1.00 0.00 C ATOM 1028 O VAL A 66 7.471 -8.124 -2.727 1.00 0.00 O ATOM 1029 CB VAL A 66 7.117 -8.250 -5.906 1.00 0.00 C ATOM 1030 CG1 VAL A 66 7.390 -6.739 -5.852 1.00 0.00 C ATOM 1031 CG2 VAL A 66 7.399 -8.755 -7.327 1.00 0.00 C ATOM 0 H VAL A 66 6.249 -10.156 -4.449 1.00 0.00 H new ATOM 0 HA VAL A 66 8.947 -9.263 -5.372 1.00 0.00 H new ATOM 0 HB VAL A 66 6.075 -8.427 -5.641 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.754 -6.228 -6.575 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.173 -6.366 -4.851 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.436 -6.550 -6.091 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.775 -8.212 -8.037 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.449 -8.593 -7.569 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.173 -9.820 -7.386 1.00 0.00 H new ATOM 1041 N SER A 67 9.386 -7.480 -3.596 1.00 0.00 N ATOM 1042 CA SER A 67 9.693 -6.640 -2.399 1.00 0.00 C ATOM 1043 C SER A 67 8.534 -5.644 -2.157 1.00 0.00 C ATOM 1044 O SER A 67 7.908 -5.214 -3.106 1.00 0.00 O ATOM 1045 CB SER A 67 11.001 -5.875 -2.637 1.00 0.00 C ATOM 1046 OG SER A 67 11.878 -6.680 -3.412 1.00 0.00 O ATOM 0 H SER A 67 10.094 -7.469 -4.330 1.00 0.00 H new ATOM 0 HA SER A 67 9.805 -7.277 -1.521 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.799 -4.936 -3.153 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.467 -5.622 -1.685 1.00 0.00 H new ATOM 0 HG SER A 67 12.715 -6.195 -3.568 1.00 0.00 H new ATOM 1052 N PRO A 68 8.259 -5.302 -0.906 1.00 0.00 N ATOM 1053 CA PRO A 68 7.158 -4.365 -0.585 1.00 0.00 C ATOM 1054 C PRO A 68 7.387 -2.954 -1.173 1.00 0.00 C ATOM 1055 O PRO A 68 6.455 -2.315 -1.607 1.00 0.00 O ATOM 1056 CB PRO A 68 7.125 -4.305 0.963 1.00 0.00 C ATOM 1057 CG PRO A 68 8.333 -5.123 1.490 1.00 0.00 C ATOM 1058 CD PRO A 68 8.989 -5.817 0.280 1.00 0.00 C ATOM 0 HA PRO A 68 6.219 -4.709 -1.019 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.182 -3.272 1.307 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.189 -4.716 1.342 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.048 -4.470 1.991 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.006 -5.860 2.223 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.052 -5.583 0.220 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.905 -6.901 0.354 1.00 0.00 H new ATOM 1066 N GLU A 69 8.588 -2.437 -1.154 1.00 0.00 N ATOM 1067 CA GLU A 69 8.790 -1.046 -1.680 1.00 0.00 C ATOM 1068 C GLU A 69 8.810 -1.038 -3.213 1.00 0.00 C ATOM 1069 O GLU A 69 8.624 -0.006 -3.845 1.00 0.00 O ATOM 1070 CB GLU A 69 10.096 -0.450 -1.130 1.00 0.00 C ATOM 1071 CG GLU A 69 11.283 -1.393 -1.381 1.00 0.00 C ATOM 1072 CD GLU A 69 11.769 -1.263 -2.829 1.00 0.00 C ATOM 1073 OE1 GLU A 69 11.313 -0.363 -3.514 1.00 0.00 O ATOM 1074 OE2 GLU A 69 12.599 -2.064 -3.224 1.00 0.00 O ATOM 0 H GLU A 69 9.425 -2.903 -0.805 1.00 0.00 H new ATOM 0 HA GLU A 69 7.954 -0.433 -1.345 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.287 0.514 -1.602 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.993 -0.266 -0.061 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.096 -1.156 -0.695 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.987 -2.423 -1.181 1.00 0.00 H new ATOM 1081 N LEU A 70 8.996 -2.170 -3.831 1.00 0.00 N ATOM 1082 CA LEU A 70 8.990 -2.172 -5.318 1.00 0.00 C ATOM 1083 C LEU A 70 7.548 -1.906 -5.765 1.00 0.00 C ATOM 1084 O LEU A 70 7.284 -1.588 -6.908 1.00 0.00 O ATOM 1085 CB LEU A 70 9.516 -3.512 -5.860 1.00 0.00 C ATOM 1086 CG LEU A 70 11.043 -3.571 -5.741 1.00 0.00 C ATOM 1087 CD1 LEU A 70 11.526 -5.000 -6.021 1.00 0.00 C ATOM 1088 CD2 LEU A 70 11.719 -2.595 -6.729 1.00 0.00 C ATOM 0 H LEU A 70 9.149 -3.074 -3.383 1.00 0.00 H new ATOM 0 HA LEU A 70 9.650 -1.399 -5.713 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.069 -4.337 -5.305 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.221 -3.632 -6.902 1.00 0.00 H new ATOM 0 HG LEU A 70 11.317 -3.277 -4.728 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.612 -5.040 -5.936 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.080 -5.683 -5.298 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.230 -5.293 -7.028 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.802 -2.660 -6.621 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.440 -2.859 -7.749 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.393 -1.577 -6.515 1.00 0.00 H new ATOM 1100 N VAL A 71 6.611 -2.061 -4.861 1.00 0.00 N ATOM 1101 CA VAL A 71 5.177 -1.848 -5.215 1.00 0.00 C ATOM 1102 C VAL A 71 4.922 -0.382 -5.575 1.00 0.00 C ATOM 1103 O VAL A 71 4.390 -0.088 -6.623 1.00 0.00 O ATOM 1104 CB VAL A 71 4.274 -2.277 -4.032 1.00 0.00 C ATOM 1105 CG1 VAL A 71 2.883 -1.606 -4.102 1.00 0.00 C ATOM 1106 CG2 VAL A 71 4.107 -3.799 -4.042 1.00 0.00 C ATOM 0 H VAL A 71 6.781 -2.327 -3.891 1.00 0.00 H new ATOM 0 HA VAL A 71 4.937 -2.459 -6.085 1.00 0.00 H new ATOM 0 HB VAL A 71 4.756 -1.957 -3.108 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.279 -1.932 -3.255 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.000 -0.523 -4.069 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.389 -1.890 -5.031 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.472 -4.101 -3.209 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.647 -4.108 -4.980 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.084 -4.273 -3.943 1.00 0.00 H new ATOM 1116 N CYS A 72 5.242 0.547 -4.720 1.00 0.00 N ATOM 1117 CA CYS A 72 4.931 1.957 -5.064 1.00 0.00 C ATOM 1118 C CYS A 72 5.713 2.387 -6.313 1.00 0.00 C ATOM 1119 O CYS A 72 5.289 3.243 -7.064 1.00 0.00 O ATOM 1120 CB CYS A 72 5.307 2.866 -3.880 1.00 0.00 C ATOM 1121 SG CYS A 72 4.552 2.244 -2.362 1.00 0.00 S ATOM 0 H CYS A 72 5.695 0.396 -3.819 1.00 0.00 H new ATOM 0 HA CYS A 72 3.865 2.045 -5.271 1.00 0.00 H new ATOM 0 HB2 CYS A 72 6.391 2.903 -3.769 1.00 0.00 H new ATOM 0 HB3 CYS A 72 4.971 3.885 -4.072 1.00 0.00 H new ATOM 1126 N SER A 73 6.858 1.781 -6.538 1.00 0.00 N ATOM 1127 CA SER A 73 7.671 2.141 -7.741 1.00 0.00 C ATOM 1128 C SER A 73 7.100 1.486 -9.020 1.00 0.00 C ATOM 1129 O SER A 73 7.079 2.096 -10.070 1.00 0.00 O ATOM 1130 CB SER A 73 9.120 1.701 -7.538 1.00 0.00 C ATOM 1131 OG SER A 73 9.959 2.428 -8.426 1.00 0.00 O ATOM 0 H SER A 73 7.260 1.057 -5.943 1.00 0.00 H new ATOM 0 HA SER A 73 7.631 3.223 -7.866 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.424 1.876 -6.506 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.217 0.631 -7.722 1.00 0.00 H new ATOM 0 HG SER A 73 10.890 2.150 -8.298 1.00 0.00 H new ATOM 1137 N MET A 74 6.640 0.261 -8.952 1.00 0.00 N ATOM 1138 CA MET A 74 6.081 -0.402 -10.181 1.00 0.00 C ATOM 1139 C MET A 74 4.714 0.209 -10.548 1.00 0.00 C ATOM 1140 O MET A 74 4.420 0.412 -11.710 1.00 0.00 O ATOM 1141 CB MET A 74 5.915 -1.929 -9.929 1.00 0.00 C ATOM 1142 CG MET A 74 7.098 -2.730 -10.504 1.00 0.00 C ATOM 1143 SD MET A 74 6.625 -4.472 -10.692 1.00 0.00 S ATOM 1144 CE MET A 74 5.787 -4.697 -9.101 1.00 0.00 C ATOM 0 H MET A 74 6.625 -0.309 -8.106 1.00 0.00 H new ATOM 0 HA MET A 74 6.774 -0.242 -11.007 1.00 0.00 H new ATOM 0 HB2 MET A 74 5.835 -2.115 -8.858 1.00 0.00 H new ATOM 0 HB3 MET A 74 4.986 -2.274 -10.383 1.00 0.00 H new ATOM 0 HG2 MET A 74 7.394 -2.318 -11.469 1.00 0.00 H new ATOM 0 HG3 MET A 74 7.961 -2.647 -9.843 1.00 0.00 H new ATOM 0 HE1 MET A 74 5.751 -5.758 -8.855 1.00 0.00 H new ATOM 0 HE2 MET A 74 6.333 -4.163 -8.323 1.00 0.00 H new ATOM 0 HE3 MET A 74 4.772 -4.305 -9.166 1.00 0.00 H new ATOM 1154 N LEU A 75 3.870 0.490 -9.593 1.00 0.00 N ATOM 1155 CA LEU A 75 2.534 1.066 -9.944 1.00 0.00 C ATOM 1156 C LEU A 75 2.686 2.527 -10.391 1.00 0.00 C ATOM 1157 O LEU A 75 1.724 3.267 -10.449 1.00 0.00 O ATOM 1158 CB LEU A 75 1.596 0.992 -8.729 1.00 0.00 C ATOM 1159 CG LEU A 75 1.525 -0.447 -8.186 1.00 0.00 C ATOM 1160 CD1 LEU A 75 0.432 -0.543 -7.118 1.00 0.00 C ATOM 1161 CD2 LEU A 75 1.210 -1.432 -9.324 1.00 0.00 C ATOM 0 H LEU A 75 4.041 0.349 -8.597 1.00 0.00 H new ATOM 0 HA LEU A 75 2.108 0.487 -10.764 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.951 1.664 -7.948 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.599 1.329 -9.012 1.00 0.00 H new ATOM 0 HG LEU A 75 2.490 -0.703 -7.749 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.385 -1.563 -6.736 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.661 0.140 -6.300 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.529 -0.275 -7.556 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.163 -2.445 -8.925 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.251 -1.174 -9.774 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.992 -1.376 -10.081 1.00 0.00 H new ATOM 1173 N HIS A 76 3.881 2.949 -10.704 1.00 0.00 N ATOM 1174 CA HIS A 76 4.087 4.364 -11.144 1.00 0.00 C ATOM 1175 C HIS A 76 3.369 5.305 -10.168 1.00 0.00 C ATOM 1176 O HIS A 76 3.061 6.431 -10.503 1.00 0.00 O ATOM 1177 CB HIS A 76 3.543 4.553 -12.567 1.00 0.00 C ATOM 1178 CG HIS A 76 4.260 3.619 -13.502 1.00 0.00 C ATOM 1179 ND1 HIS A 76 5.632 3.422 -13.443 1.00 0.00 N ATOM 1180 CD2 HIS A 76 3.811 2.820 -14.524 1.00 0.00 C ATOM 1181 CE1 HIS A 76 5.956 2.536 -14.403 1.00 0.00 C ATOM 1182 NE2 HIS A 76 4.883 2.138 -15.091 1.00 0.00 N ATOM 0 H HIS A 76 4.725 2.377 -10.675 1.00 0.00 H new ATOM 0 HA HIS A 76 5.152 4.596 -11.148 1.00 0.00 H new ATOM 0 HB2 HIS A 76 2.471 4.355 -12.588 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.683 5.585 -12.888 1.00 0.00 H new ATOM 0 HD2 HIS A 76 2.782 2.734 -14.840 1.00 0.00 H new ATOM 0 HE1 HIS A 76 6.961 2.189 -14.594 1.00 0.00 H new ATOM 0 HE2 HIS A 76 4.855 1.476 -15.866 1.00 0.00 H new ATOM 1190 N LEU A 77 3.092 4.866 -8.971 1.00 0.00 N ATOM 1191 CA LEU A 77 2.390 5.749 -7.996 1.00 0.00 C ATOM 1192 C LEU A 77 3.431 6.662 -7.328 1.00 0.00 C ATOM 1193 O LEU A 77 3.082 7.646 -6.705 1.00 0.00 O ATOM 1194 CB LEU A 77 1.650 4.860 -6.956 1.00 0.00 C ATOM 1195 CG LEU A 77 0.153 5.223 -6.837 1.00 0.00 C ATOM 1196 CD1 LEU A 77 -0.549 5.258 -8.217 1.00 0.00 C ATOM 1197 CD2 LEU A 77 -0.545 4.201 -5.925 1.00 0.00 C ATOM 0 H LEU A 77 3.321 3.934 -8.626 1.00 0.00 H new ATOM 0 HA LEU A 77 1.649 6.377 -8.491 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.746 3.813 -7.242 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.127 4.970 -5.982 1.00 0.00 H new ATOM 0 HG LEU A 77 0.083 6.223 -6.410 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.599 5.517 -8.084 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.068 6.003 -8.851 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.474 4.278 -8.688 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.602 4.453 -5.838 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.444 3.203 -6.352 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.085 4.221 -4.937 1.00 0.00 H new ATOM 1209 N CYS A 78 4.705 6.354 -7.465 1.00 0.00 N ATOM 1210 CA CYS A 78 5.770 7.219 -6.850 1.00 0.00 C ATOM 1211 C CYS A 78 6.788 7.619 -7.924 1.00 0.00 C ATOM 1212 O CYS A 78 6.812 7.137 -9.039 1.00 0.00 O ATOM 1213 CB CYS A 78 6.489 6.465 -5.734 1.00 0.00 C ATOM 1214 SG CYS A 78 5.473 6.493 -4.247 1.00 0.00 S ATOM 0 H CYS A 78 5.052 5.542 -7.976 1.00 0.00 H new ATOM 0 HA CYS A 78 5.300 8.109 -6.433 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.680 5.436 -6.039 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.458 6.923 -5.535 1.00 0.00 H new