USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 761 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 LYS NZ :NH3+ 150:sc= 0.102 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.317 K(o=-0.32,f=-1.8!) USER MOD Single : A 7 LYS NZ :NH3+ -151:sc= -0.402 (180deg=-1.77!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -34:sc= 0.0429 USER MOD Single : A 11 GLN : amide:sc= -1.05 K(o=-1,f=-0.29) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 1.09 K(o=1.1,f=-0.31) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.0962 K(o=-0.096,f=-1.3!) USER MOD Single : A 33 THR OG1 : rot 101:sc= 0.37 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.654 K(o=-0.65,f=-0.11) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.0681 X(o=-0.068,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -162:sc= -0.0316 (180deg=-0.267) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot -161:sc= -3.65! USER MOD Single : A 60 HIS : no HD1:sc= -1 K(o=-1,f=-0.29) USER MOD Single : A 62 LYS NZ :NH3+ -103:sc= -0.725 (180deg=-3.84!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.0176 K(o=-0.018,f=-1.3) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -11.597 -2.439 9.425 1.00 0.00 N ATOM 21 CA LEU A 2 -12.348 -2.796 8.227 1.00 0.00 C ATOM 22 C LEU A 2 -11.761 -4.038 7.565 1.00 0.00 C ATOM 23 O LEU A 2 -10.659 -4.471 7.901 1.00 0.00 O ATOM 24 CB LEU A 2 -12.352 -1.629 7.238 1.00 0.00 C ATOM 25 CG LEU A 2 -13.294 -0.480 7.594 1.00 0.00 C ATOM 26 CD1 LEU A 2 -12.718 0.849 7.127 1.00 0.00 C ATOM 27 CD2 LEU A 2 -14.669 -0.709 6.984 1.00 0.00 C ATOM 0 HA LEU A 2 -13.373 -3.017 8.523 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.338 -1.236 7.160 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -12.624 -2.009 6.253 1.00 0.00 H new ATOM 0 HG LEU A 2 -13.399 -0.446 8.678 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -13.403 1.655 7.390 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -11.756 1.019 7.611 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -12.582 0.827 6.046 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -15.327 0.119 7.248 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -14.580 -0.770 5.899 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -15.087 -1.640 7.367 1.00 0.00 H new ATOM 39 N LYS A 3 -12.504 -4.603 6.619 1.00 0.00 N ATOM 40 CA LYS A 3 -12.059 -5.794 5.905 1.00 0.00 C ATOM 41 C LYS A 3 -10.909 -5.463 4.961 1.00 0.00 C ATOM 42 O LYS A 3 -10.811 -4.345 4.456 1.00 0.00 O ATOM 43 CB LYS A 3 -13.219 -6.407 5.119 1.00 0.00 C ATOM 44 CG LYS A 3 -13.069 -7.898 4.873 1.00 0.00 C ATOM 45 CD LYS A 3 -12.502 -8.180 3.491 1.00 0.00 C ATOM 46 CE LYS A 3 -13.423 -7.669 2.394 1.00 0.00 C ATOM 47 NZ LYS A 3 -13.941 -8.775 1.543 1.00 0.00 N ATOM 0 H LYS A 3 -13.418 -4.255 6.329 1.00 0.00 H new ATOM 0 HA LYS A 3 -11.706 -6.517 6.640 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -14.148 -6.229 5.661 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -13.306 -5.896 4.160 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -12.415 -8.329 5.631 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -14.039 -8.384 4.976 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -11.524 -7.708 3.395 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -12.352 -9.253 3.371 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -14.260 -7.134 2.843 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -12.885 -6.954 1.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -14.882 -8.522 1.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -13.292 -8.932 0.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -14.011 -9.645 2.109 1.00 0.00 H new ATOM 61 N LEU A 4 -10.040 -6.440 4.725 1.00 0.00 N ATOM 62 CA LEU A 4 -8.897 -6.251 3.840 1.00 0.00 C ATOM 63 C LEU A 4 -8.953 -7.218 2.662 1.00 0.00 C ATOM 64 O LEU A 4 -9.487 -8.321 2.777 1.00 0.00 O ATOM 65 CB LEU A 4 -7.591 -6.442 4.612 1.00 0.00 C ATOM 66 CG LEU A 4 -6.318 -6.342 3.766 1.00 0.00 C ATOM 67 CD1 LEU A 4 -5.193 -5.707 4.567 1.00 0.00 C ATOM 68 CD2 LEU A 4 -5.906 -7.717 3.261 1.00 0.00 C ATOM 0 H LEU A 4 -10.106 -7.372 5.135 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.935 -5.233 3.451 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.542 -5.695 5.404 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.612 -7.419 5.096 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.525 -5.707 2.905 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.297 -5.644 3.949 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.489 -4.706 4.879 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.985 -6.315 5.447 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.000 -7.628 2.662 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.717 -8.375 4.109 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.706 -8.135 2.650 1.00 0.00 H new ATOM 80 N ASN A 5 -8.400 -6.797 1.529 1.00 0.00 N ATOM 81 CA ASN A 5 -8.387 -7.626 0.330 1.00 0.00 C ATOM 82 C ASN A 5 -7.023 -7.575 -0.353 1.00 0.00 C ATOM 83 O ASN A 5 -6.168 -6.767 0.006 1.00 0.00 O ATOM 84 CB ASN A 5 -9.478 -7.170 -0.643 1.00 0.00 C ATOM 85 CG ASN A 5 -10.313 -8.326 -1.157 1.00 0.00 C ATOM 86 OD1 ASN A 5 -10.442 -9.356 -0.496 1.00 0.00 O ATOM 87 ND2 ASN A 5 -10.884 -8.161 -2.345 1.00 0.00 N ATOM 0 H ASN A 5 -7.955 -5.886 1.416 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.584 -8.656 0.628 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.127 -6.449 -0.145 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -9.017 -6.655 -1.486 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -11.456 -8.905 -2.744 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -10.750 -7.290 -2.859 1.00 0.00 H new ATOM 94 N LEU A 6 -6.831 -8.443 -1.341 1.00 0.00 N ATOM 95 CA LEU A 6 -5.571 -8.496 -2.077 1.00 0.00 C ATOM 96 C LEU A 6 -5.822 -8.498 -3.580 1.00 0.00 C ATOM 97 O LEU A 6 -6.445 -9.416 -4.115 1.00 0.00 O ATOM 98 CB LEU A 6 -4.776 -9.740 -1.677 1.00 0.00 C ATOM 99 CG LEU A 6 -4.048 -9.641 -0.335 1.00 0.00 C ATOM 100 CD1 LEU A 6 -3.563 -11.012 0.111 1.00 0.00 C ATOM 101 CD2 LEU A 6 -2.884 -8.667 -0.433 1.00 0.00 C ATOM 0 H LEU A 6 -7.530 -9.118 -1.651 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.991 -7.608 -1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.456 -10.591 -1.642 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.043 -9.950 -2.456 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.748 -9.266 0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.048 -10.922 1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.416 -11.682 0.220 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.877 -11.416 -0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.377 -8.608 0.530 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.183 -9.013 -1.192 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.257 -7.680 -0.707 1.00 0.00 H new ATOM 113 N LYS A 7 -5.332 -7.466 -4.259 1.00 0.00 N ATOM 114 CA LYS A 7 -5.502 -7.350 -5.703 1.00 0.00 C ATOM 115 C LYS A 7 -4.378 -8.068 -6.444 1.00 0.00 C ATOM 116 O LYS A 7 -3.355 -8.417 -5.852 1.00 0.00 O ATOM 117 CB LYS A 7 -5.541 -5.878 -6.117 1.00 0.00 C ATOM 118 CG LYS A 7 -6.927 -5.258 -6.031 1.00 0.00 C ATOM 119 CD LYS A 7 -7.374 -4.694 -7.371 1.00 0.00 C ATOM 120 CE LYS A 7 -8.888 -4.600 -7.459 1.00 0.00 C ATOM 121 NZ LYS A 7 -9.387 -3.259 -7.051 1.00 0.00 N ATOM 0 H LYS A 7 -4.814 -6.698 -3.832 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.448 -7.821 -5.970 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.859 -5.312 -5.482 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.174 -5.787 -7.139 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.642 -6.009 -5.696 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.925 -4.464 -5.284 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.938 -3.705 -7.514 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.000 -5.327 -8.176 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.206 -4.810 -8.480 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.336 -5.363 -6.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.344 -3.351 -6.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.752 -2.856 -6.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.414 -2.632 -7.880 1.00 0.00 H new ATOM 135 N LYS A 8 -4.574 -8.286 -7.739 1.00 0.00 N ATOM 136 CA LYS A 8 -3.577 -8.963 -8.560 1.00 0.00 C ATOM 137 C LYS A 8 -2.317 -8.111 -8.697 1.00 0.00 C ATOM 138 O LYS A 8 -1.201 -8.627 -8.657 1.00 0.00 O ATOM 139 CB LYS A 8 -4.154 -9.277 -9.943 1.00 0.00 C ATOM 140 CG LYS A 8 -4.354 -10.763 -10.193 1.00 0.00 C ATOM 141 CD LYS A 8 -5.314 -11.010 -11.346 1.00 0.00 C ATOM 142 CE LYS A 8 -4.868 -12.185 -12.200 1.00 0.00 C ATOM 143 NZ LYS A 8 -5.823 -12.461 -13.308 1.00 0.00 N ATOM 0 H LYS A 8 -5.414 -8.004 -8.243 1.00 0.00 H new ATOM 0 HA LYS A 8 -3.308 -9.898 -8.068 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.110 -8.766 -10.054 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.488 -8.875 -10.706 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.393 -11.229 -10.412 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.739 -11.236 -9.290 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.313 -11.202 -10.954 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.380 -10.114 -11.964 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.881 -11.978 -12.614 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.772 -13.072 -11.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.482 -13.269 -13.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.759 -12.683 -12.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.896 -11.623 -13.920 1.00 0.00 H new ATOM 157 N SER A 9 -2.509 -6.805 -8.860 1.00 0.00 N ATOM 158 CA SER A 9 -1.388 -5.882 -9.002 1.00 0.00 C ATOM 159 C SER A 9 -0.473 -5.943 -7.783 1.00 0.00 C ATOM 160 O SER A 9 0.745 -5.820 -7.902 1.00 0.00 O ATOM 161 CB SER A 9 -1.902 -4.453 -9.196 1.00 0.00 C ATOM 162 OG SER A 9 -0.846 -3.576 -9.551 1.00 0.00 O ATOM 0 H SER A 9 -3.428 -6.363 -8.897 1.00 0.00 H new ATOM 0 HA SER A 9 -0.813 -6.179 -9.879 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.667 -4.440 -9.973 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.375 -4.105 -8.278 1.00 0.00 H new ATOM 0 HG SER A 9 -0.023 -3.856 -9.099 1.00 0.00 H new ATOM 168 N PHE A 10 -1.073 -6.135 -6.612 1.00 0.00 N ATOM 169 CA PHE A 10 -0.315 -6.214 -5.369 1.00 0.00 C ATOM 170 C PHE A 10 0.659 -7.388 -5.396 1.00 0.00 C ATOM 171 O PHE A 10 1.721 -7.339 -4.775 1.00 0.00 O ATOM 172 CB PHE A 10 -1.266 -6.350 -4.179 1.00 0.00 C ATOM 173 CG PHE A 10 -0.597 -6.156 -2.847 1.00 0.00 C ATOM 174 CD1 PHE A 10 -0.086 -4.918 -2.489 1.00 0.00 C ATOM 175 CD2 PHE A 10 -0.477 -7.212 -1.958 1.00 0.00 C ATOM 176 CE1 PHE A 10 0.529 -4.738 -1.264 1.00 0.00 C ATOM 177 CE2 PHE A 10 0.138 -7.036 -0.734 1.00 0.00 C ATOM 178 CZ PHE A 10 0.642 -5.798 -0.386 1.00 0.00 C ATOM 0 H PHE A 10 -2.081 -6.239 -6.498 1.00 0.00 H new ATOM 0 HA PHE A 10 0.261 -5.294 -5.264 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.070 -5.621 -4.282 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.727 -7.338 -4.204 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.169 -4.087 -3.173 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.868 -8.183 -2.225 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.921 -3.769 -0.994 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.225 -7.866 -0.049 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.123 -5.659 0.571 1.00 0.00 H new ATOM 188 N GLN A 11 0.291 -8.439 -6.120 1.00 0.00 N ATOM 189 CA GLN A 11 1.134 -9.624 -6.227 1.00 0.00 C ATOM 190 C GLN A 11 2.308 -9.374 -7.168 1.00 0.00 C ATOM 191 O GLN A 11 3.403 -9.898 -6.962 1.00 0.00 O ATOM 192 CB GLN A 11 0.312 -10.817 -6.720 1.00 0.00 C ATOM 193 CG GLN A 11 -0.740 -11.282 -5.725 1.00 0.00 C ATOM 194 CD GLN A 11 -1.760 -12.213 -6.349 1.00 0.00 C ATOM 195 OE1 GLN A 11 -1.463 -13.370 -6.646 1.00 0.00 O ATOM 196 NE2 GLN A 11 -2.974 -11.713 -6.547 1.00 0.00 N ATOM 0 H GLN A 11 -0.584 -8.495 -6.641 1.00 0.00 H new ATOM 0 HA GLN A 11 1.529 -9.849 -5.237 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.178 -10.548 -7.656 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.985 -11.646 -6.939 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.250 -11.790 -4.894 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.252 -10.414 -5.310 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.177 -10.748 -6.286 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.704 -12.294 -6.960 1.00 0.00 H new ATOM 205 N LYS A 12 2.073 -8.569 -8.201 1.00 0.00 N ATOM 206 CA LYS A 12 3.113 -8.248 -9.171 1.00 0.00 C ATOM 207 C LYS A 12 3.894 -7.005 -8.752 1.00 0.00 C ATOM 208 O LYS A 12 4.968 -6.727 -9.285 1.00 0.00 O ATOM 209 CB LYS A 12 2.500 -8.039 -10.558 1.00 0.00 C ATOM 210 CG LYS A 12 1.498 -9.114 -10.949 1.00 0.00 C ATOM 211 CD LYS A 12 0.912 -8.852 -12.327 1.00 0.00 C ATOM 212 CE LYS A 12 -0.416 -9.569 -12.513 1.00 0.00 C ATOM 213 NZ LYS A 12 -1.075 -9.193 -13.793 1.00 0.00 N ATOM 0 H LYS A 12 1.172 -8.128 -8.387 1.00 0.00 H new ATOM 0 HA LYS A 12 3.806 -9.089 -9.210 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.007 -7.067 -10.585 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.299 -8.012 -11.299 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.986 -10.089 -10.939 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.696 -9.151 -10.212 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.771 -7.780 -12.466 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.615 -9.182 -13.091 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.253 -10.647 -12.491 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.077 -9.330 -11.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.977 -9.703 -13.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.254 -8.169 -13.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.455 -9.444 -14.589 1.00 0.00 H new ATOM 227 N ASP A 13 3.359 -6.262 -7.791 1.00 0.00 N ATOM 228 CA ASP A 13 4.017 -5.059 -7.297 1.00 0.00 C ATOM 229 C ASP A 13 4.937 -5.397 -6.128 1.00 0.00 C ATOM 230 O ASP A 13 5.858 -4.649 -5.812 1.00 0.00 O ATOM 231 CB ASP A 13 2.979 -4.020 -6.867 1.00 0.00 C ATOM 232 CG ASP A 13 2.706 -2.996 -7.950 1.00 0.00 C ATOM 233 OD1 ASP A 13 3.418 -1.970 -7.993 1.00 0.00 O ATOM 234 OD2 ASP A 13 1.778 -3.219 -8.756 1.00 0.00 O ATOM 0 H ASP A 13 2.470 -6.472 -7.338 1.00 0.00 H new ATOM 0 HA ASP A 13 4.617 -4.640 -8.104 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.049 -4.525 -6.606 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.329 -3.511 -5.969 1.00 0.00 H new ATOM 239 N PHE A 14 4.673 -6.534 -5.494 1.00 0.00 N ATOM 240 CA PHE A 14 5.462 -7.002 -4.370 1.00 0.00 C ATOM 241 C PHE A 14 6.591 -7.902 -4.865 1.00 0.00 C ATOM 242 O PHE A 14 7.754 -7.501 -4.901 1.00 0.00 O ATOM 243 CB PHE A 14 4.553 -7.756 -3.389 1.00 0.00 C ATOM 244 CG PHE A 14 5.287 -8.540 -2.337 1.00 0.00 C ATOM 245 CD1 PHE A 14 5.658 -7.944 -1.142 1.00 0.00 C ATOM 246 CD2 PHE A 14 5.601 -9.874 -2.543 1.00 0.00 C ATOM 247 CE1 PHE A 14 6.330 -8.665 -0.172 1.00 0.00 C ATOM 248 CE2 PHE A 14 6.271 -10.598 -1.578 1.00 0.00 C ATOM 249 CZ PHE A 14 6.638 -9.994 -0.390 1.00 0.00 C ATOM 0 H PHE A 14 3.905 -7.155 -5.748 1.00 0.00 H new ATOM 0 HA PHE A 14 5.907 -6.151 -3.854 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.896 -7.039 -2.897 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.916 -8.437 -3.953 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.420 -6.905 -0.966 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.318 -10.352 -3.469 1.00 0.00 H new ATOM 0 HE1 PHE A 14 6.614 -8.190 0.755 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.509 -11.637 -1.751 1.00 0.00 H new ATOM 0 HZ PHE A 14 7.164 -10.559 0.365 1.00 0.00 H new ATOM 259 N ASP A 15 6.222 -9.123 -5.249 1.00 0.00 N ATOM 260 CA ASP A 15 7.170 -10.115 -5.749 1.00 0.00 C ATOM 261 C ASP A 15 8.048 -9.549 -6.860 1.00 0.00 C ATOM 262 O ASP A 15 9.267 -9.718 -6.844 1.00 0.00 O ATOM 263 CB ASP A 15 6.415 -11.345 -6.263 1.00 0.00 C ATOM 264 CG ASP A 15 6.985 -12.642 -5.721 1.00 0.00 C ATOM 265 OD1 ASP A 15 6.728 -12.956 -4.540 1.00 0.00 O ATOM 266 OD2 ASP A 15 7.689 -13.343 -6.479 1.00 0.00 O ATOM 0 H ASP A 15 5.257 -9.452 -5.222 1.00 0.00 H new ATOM 0 HA ASP A 15 7.820 -10.399 -4.921 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.365 -11.267 -5.981 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.453 -11.362 -7.352 1.00 0.00 H new ATOM 271 N LYS A 16 7.423 -8.892 -7.830 1.00 0.00 N ATOM 272 CA LYS A 16 8.160 -8.318 -8.950 1.00 0.00 C ATOM 273 C LYS A 16 8.968 -7.096 -8.526 1.00 0.00 C ATOM 274 O LYS A 16 9.834 -6.633 -9.267 1.00 0.00 O ATOM 275 CB LYS A 16 7.201 -7.941 -10.077 1.00 0.00 C ATOM 276 CG LYS A 16 7.706 -8.318 -11.460 1.00 0.00 C ATOM 277 CD LYS A 16 7.749 -9.825 -11.646 1.00 0.00 C ATOM 278 CE LYS A 16 6.393 -10.375 -12.060 1.00 0.00 C ATOM 279 NZ LYS A 16 6.450 -11.834 -12.354 1.00 0.00 N ATOM 0 H LYS A 16 6.414 -8.744 -7.864 1.00 0.00 H new ATOM 0 HA LYS A 16 8.858 -9.075 -9.306 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.242 -8.429 -9.905 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.022 -6.866 -10.046 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.059 -7.875 -12.218 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.703 -7.903 -11.610 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.492 -10.078 -12.403 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.066 -10.298 -10.717 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.670 -10.193 -11.265 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.039 -9.841 -12.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.506 -12.169 -12.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.121 -12.006 -13.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.763 -12.347 -11.505 1.00 0.00 H new ATOM 293 N LEU A 17 8.689 -6.575 -7.335 1.00 0.00 N ATOM 294 CA LEU A 17 9.407 -5.411 -6.839 1.00 0.00 C ATOM 295 C LEU A 17 10.630 -5.843 -6.044 1.00 0.00 C ATOM 296 O LEU A 17 11.741 -5.374 -6.288 1.00 0.00 O ATOM 297 CB LEU A 17 8.492 -4.545 -5.971 1.00 0.00 C ATOM 298 CG LEU A 17 9.195 -3.473 -5.144 1.00 0.00 C ATOM 299 CD1 LEU A 17 9.867 -2.452 -6.049 1.00 0.00 C ATOM 300 CD2 LEU A 17 8.210 -2.792 -4.206 1.00 0.00 C ATOM 0 H LEU A 17 7.977 -6.938 -6.702 1.00 0.00 H new ATOM 0 HA LEU A 17 9.735 -4.820 -7.694 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.760 -4.060 -6.617 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.938 -5.196 -5.295 1.00 0.00 H new ATOM 0 HG LEU A 17 9.966 -3.954 -4.542 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.363 -1.696 -5.440 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.604 -2.952 -6.677 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.117 -1.975 -6.679 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.729 -2.030 -3.624 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.416 -2.325 -4.789 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.778 -3.532 -3.532 1.00 0.00 H new ATOM 312 N LEU A 18 10.412 -6.738 -5.091 1.00 0.00 N ATOM 313 CA LEU A 18 11.503 -7.234 -4.254 1.00 0.00 C ATOM 314 C LEU A 18 12.629 -7.822 -5.100 1.00 0.00 C ATOM 315 O LEU A 18 13.803 -7.709 -4.748 1.00 0.00 O ATOM 316 CB LEU A 18 10.977 -8.276 -3.282 1.00 0.00 C ATOM 317 CG LEU A 18 9.671 -7.891 -2.600 1.00 0.00 C ATOM 318 CD1 LEU A 18 8.633 -8.976 -2.784 1.00 0.00 C ATOM 319 CD2 LEU A 18 9.904 -7.601 -1.132 1.00 0.00 C ATOM 0 H LEU A 18 9.497 -7.135 -4.876 1.00 0.00 H new ATOM 0 HA LEU A 18 11.911 -6.392 -3.694 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.832 -9.215 -3.817 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.733 -8.458 -2.518 1.00 0.00 H new ATOM 0 HG LEU A 18 9.291 -6.982 -3.067 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.707 -8.682 -2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.445 -9.123 -3.848 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.998 -9.906 -2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.960 -7.328 -0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.309 -8.489 -0.646 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.611 -6.778 -1.032 1.00 0.00 H new ATOM 331 N LEU A 19 12.266 -8.447 -6.214 1.00 0.00 N ATOM 332 CA LEU A 19 13.253 -9.047 -7.105 1.00 0.00 C ATOM 333 C LEU A 19 13.889 -7.996 -8.014 1.00 0.00 C ATOM 334 O LEU A 19 14.878 -8.270 -8.694 1.00 0.00 O ATOM 335 CB LEU A 19 12.610 -10.152 -7.949 1.00 0.00 C ATOM 336 CG LEU A 19 11.595 -9.672 -8.988 1.00 0.00 C ATOM 337 CD1 LEU A 19 12.304 -9.166 -10.236 1.00 0.00 C ATOM 338 CD2 LEU A 19 10.630 -10.793 -9.343 1.00 0.00 C ATOM 0 H LEU A 19 11.299 -8.552 -6.521 1.00 0.00 H new ATOM 0 HA LEU A 19 14.038 -9.483 -6.487 1.00 0.00 H new ATOM 0 HB2 LEU A 19 13.400 -10.701 -8.463 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.116 -10.856 -7.280 1.00 0.00 H new ATOM 0 HG LEU A 19 11.027 -8.847 -8.558 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.565 -8.829 -10.963 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.958 -8.335 -9.971 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.898 -9.971 -10.669 1.00 0.00 H new ATOM 0 HD21 LEU A 19 9.914 -10.436 -10.083 1.00 0.00 H new ATOM 0 HD22 LEU A 19 11.186 -11.636 -9.753 1.00 0.00 H new ATOM 0 HD23 LEU A 19 10.097 -11.112 -8.447 1.00 0.00 H new ATOM 350 N ASN A 20 13.319 -6.792 -8.023 1.00 0.00 N ATOM 351 CA ASN A 20 13.838 -5.710 -8.851 1.00 0.00 C ATOM 352 C ASN A 20 14.769 -4.801 -8.052 1.00 0.00 C ATOM 353 O ASN A 20 14.973 -3.640 -8.408 1.00 0.00 O ATOM 354 CB ASN A 20 12.686 -4.890 -9.435 1.00 0.00 C ATOM 355 CG ASN A 20 13.017 -4.316 -10.799 1.00 0.00 C ATOM 356 OD1 ASN A 20 12.352 -4.619 -11.790 1.00 0.00 O ATOM 357 ND2 ASN A 20 14.051 -3.484 -10.857 1.00 0.00 N ATOM 0 H ASN A 20 12.500 -6.544 -7.467 1.00 0.00 H new ATOM 0 HA ASN A 20 14.410 -6.156 -9.664 1.00 0.00 H new ATOM 0 HB2 ASN A 20 11.800 -5.519 -9.514 1.00 0.00 H new ATOM 0 HB3 ASN A 20 12.440 -4.077 -8.752 1.00 0.00 H new ATOM 0 HD21 ASN A 20 14.322 -3.068 -11.748 1.00 0.00 H new ATOM 0 HD22 ASN A 20 14.574 -3.261 -10.010 1.00 0.00 H new ATOM 364 N GLY A 21 15.335 -5.337 -6.973 1.00 0.00 N ATOM 365 CA GLY A 21 16.240 -4.556 -6.148 1.00 0.00 C ATOM 366 C GLY A 21 15.513 -3.696 -5.134 1.00 0.00 C ATOM 367 O GLY A 21 15.874 -2.537 -4.922 1.00 0.00 O ATOM 0 H GLY A 21 15.183 -6.295 -6.657 1.00 0.00 H new ATOM 0 HA2 GLY A 21 16.921 -5.228 -5.626 1.00 0.00 H new ATOM 0 HA3 GLY A 21 16.850 -3.919 -6.788 1.00 0.00 H new ATOM 371 N PHE A 22 14.491 -4.260 -4.500 1.00 0.00 N ATOM 372 CA PHE A 22 13.717 -3.533 -3.499 1.00 0.00 C ATOM 373 C PHE A 22 13.893 -4.156 -2.118 1.00 0.00 C ATOM 374 O PHE A 22 13.617 -5.339 -1.920 1.00 0.00 O ATOM 375 CB PHE A 22 12.233 -3.514 -3.877 1.00 0.00 C ATOM 376 CG PHE A 22 11.375 -2.765 -2.901 1.00 0.00 C ATOM 377 CD1 PHE A 22 11.331 -1.380 -2.915 1.00 0.00 C ATOM 378 CD2 PHE A 22 10.611 -3.447 -1.968 1.00 0.00 C ATOM 379 CE1 PHE A 22 10.539 -0.689 -2.017 1.00 0.00 C ATOM 380 CE2 PHE A 22 9.818 -2.761 -1.067 1.00 0.00 C ATOM 381 CZ PHE A 22 9.781 -1.380 -1.092 1.00 0.00 C ATOM 0 H PHE A 22 14.179 -5.218 -4.661 1.00 0.00 H new ATOM 0 HA PHE A 22 14.087 -2.508 -3.468 1.00 0.00 H new ATOM 0 HB2 PHE A 22 12.124 -3.064 -4.864 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.873 -4.540 -3.952 1.00 0.00 H new ATOM 0 HD1 PHE A 22 11.922 -0.834 -3.636 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.635 -4.526 -1.944 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.513 0.390 -2.039 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.228 -3.304 -0.344 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.161 -0.842 -0.390 1.00 0.00 H new ATOM 391 N ASP A 23 14.356 -3.353 -1.166 1.00 0.00 N ATOM 392 CA ASP A 23 14.569 -3.827 0.196 1.00 0.00 C ATOM 393 C ASP A 23 13.260 -4.301 0.816 1.00 0.00 C ATOM 394 O ASP A 23 12.425 -3.492 1.226 1.00 0.00 O ATOM 395 CB ASP A 23 15.185 -2.720 1.054 1.00 0.00 C ATOM 396 CG ASP A 23 16.213 -3.252 2.031 1.00 0.00 C ATOM 397 OD1 ASP A 23 15.814 -3.912 3.014 1.00 0.00 O ATOM 398 OD2 ASP A 23 17.419 -3.007 1.815 1.00 0.00 O ATOM 0 H ASP A 23 14.591 -2.371 -1.313 1.00 0.00 H new ATOM 0 HA ASP A 23 15.258 -4.671 0.158 1.00 0.00 H new ATOM 0 HB2 ASP A 23 15.653 -1.979 0.406 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.395 -2.208 1.604 1.00 0.00 H new ATOM 403 N ASP A 24 13.086 -5.616 0.885 1.00 0.00 N ATOM 404 CA ASP A 24 11.877 -6.201 1.454 1.00 0.00 C ATOM 405 C ASP A 24 11.747 -5.862 2.938 1.00 0.00 C ATOM 406 O ASP A 24 10.648 -5.860 3.489 1.00 0.00 O ATOM 407 CB ASP A 24 11.889 -7.721 1.268 1.00 0.00 C ATOM 408 CG ASP A 24 13.037 -8.386 2.001 1.00 0.00 C ATOM 409 OD1 ASP A 24 13.127 -8.222 3.236 1.00 0.00 O ATOM 410 OD2 ASP A 24 13.846 -9.071 1.341 1.00 0.00 O ATOM 0 H ASP A 24 13.768 -6.298 0.553 1.00 0.00 H new ATOM 0 HA ASP A 24 11.020 -5.779 0.929 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.946 -8.135 1.625 1.00 0.00 H new ATOM 0 HB3 ASP A 24 11.957 -7.953 0.205 1.00 0.00 H new ATOM 415 N SER A 25 12.878 -5.579 3.580 1.00 0.00 N ATOM 416 CA SER A 25 12.889 -5.244 5.001 1.00 0.00 C ATOM 417 C SER A 25 12.081 -3.979 5.277 1.00 0.00 C ATOM 418 O SER A 25 11.265 -3.942 6.197 1.00 0.00 O ATOM 419 CB SER A 25 14.326 -5.061 5.491 1.00 0.00 C ATOM 420 OG SER A 25 15.104 -6.218 5.238 1.00 0.00 O ATOM 0 H SER A 25 13.798 -5.575 3.139 1.00 0.00 H new ATOM 0 HA SER A 25 12.427 -6.069 5.543 1.00 0.00 H new ATOM 0 HB2 SER A 25 14.776 -4.201 4.994 1.00 0.00 H new ATOM 0 HB3 SER A 25 14.324 -4.847 6.560 1.00 0.00 H new ATOM 0 HG SER A 25 16.019 -6.074 5.559 1.00 0.00 H new ATOM 426 N VAL A 26 12.319 -2.943 4.479 1.00 0.00 N ATOM 427 CA VAL A 26 11.616 -1.673 4.644 1.00 0.00 C ATOM 428 C VAL A 26 10.103 -1.865 4.587 1.00 0.00 C ATOM 429 O VAL A 26 9.366 -1.297 5.393 1.00 0.00 O ATOM 430 CB VAL A 26 12.036 -0.654 3.567 1.00 0.00 C ATOM 431 CG1 VAL A 26 11.389 0.699 3.825 1.00 0.00 C ATOM 432 CG2 VAL A 26 13.552 -0.526 3.514 1.00 0.00 C ATOM 0 H VAL A 26 12.992 -2.956 3.713 1.00 0.00 H new ATOM 0 HA VAL A 26 11.891 -1.287 5.626 1.00 0.00 H new ATOM 0 HB VAL A 26 11.690 -1.016 2.599 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.699 1.404 3.053 1.00 0.00 H new ATOM 0 HG12 VAL A 26 10.304 0.593 3.806 1.00 0.00 H new ATOM 0 HG13 VAL A 26 11.700 1.071 4.801 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.829 0.198 2.748 1.00 0.00 H new ATOM 0 HG22 VAL A 26 13.923 -0.190 4.482 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.991 -1.495 3.274 1.00 0.00 H new ATOM 442 N LEU A 27 9.646 -2.667 3.631 1.00 0.00 N ATOM 443 CA LEU A 27 8.220 -2.928 3.475 1.00 0.00 C ATOM 444 C LEU A 27 7.642 -3.561 4.740 1.00 0.00 C ATOM 445 O LEU A 27 6.472 -3.364 5.064 1.00 0.00 O ATOM 446 CB LEU A 27 7.973 -3.829 2.260 1.00 0.00 C ATOM 447 CG LEU A 27 7.916 -5.333 2.549 1.00 0.00 C ATOM 448 CD1 LEU A 27 6.476 -5.778 2.754 1.00 0.00 C ATOM 449 CD2 LEU A 27 8.566 -6.119 1.421 1.00 0.00 C ATOM 0 H LEU A 27 10.240 -3.146 2.955 1.00 0.00 H new ATOM 0 HA LEU A 27 7.713 -1.977 3.311 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.033 -3.531 1.795 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.762 -3.648 1.530 1.00 0.00 H new ATOM 0 HG LEU A 27 8.471 -5.531 3.466 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.452 -6.848 2.958 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.045 -5.238 3.597 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.898 -5.567 1.854 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.516 -7.185 1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.040 -5.919 0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.609 -5.818 1.322 1.00 0.00 H new ATOM 461 N ASN A 28 8.473 -4.319 5.451 1.00 0.00 N ATOM 462 CA ASN A 28 8.046 -4.977 6.681 1.00 0.00 C ATOM 463 C ASN A 28 7.434 -3.968 7.647 1.00 0.00 C ATOM 464 O ASN A 28 6.526 -4.294 8.412 1.00 0.00 O ATOM 465 CB ASN A 28 9.229 -5.684 7.345 1.00 0.00 C ATOM 466 CG ASN A 28 8.851 -7.040 7.909 1.00 0.00 C ATOM 467 OD1 ASN A 28 7.672 -7.344 8.086 1.00 0.00 O ATOM 468 ND2 ASN A 28 9.854 -7.862 8.194 1.00 0.00 N ATOM 0 H ASN A 28 9.445 -4.492 5.196 1.00 0.00 H new ATOM 0 HA ASN A 28 7.289 -5.718 6.425 1.00 0.00 H new ATOM 0 HB2 ASN A 28 10.030 -5.807 6.616 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.620 -5.057 8.146 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.662 -8.788 8.576 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.817 -7.568 8.031 1.00 0.00 H new ATOM 475 N GLU A 29 7.936 -2.739 7.597 1.00 0.00 N ATOM 476 CA GLU A 29 7.439 -1.674 8.460 1.00 0.00 C ATOM 477 C GLU A 29 6.088 -1.158 7.965 1.00 0.00 C ATOM 478 O GLU A 29 5.336 -0.540 8.718 1.00 0.00 O ATOM 479 CB GLU A 29 8.450 -0.528 8.513 1.00 0.00 C ATOM 480 CG GLU A 29 9.409 -0.616 9.689 1.00 0.00 C ATOM 481 CD GLU A 29 8.832 -0.017 10.957 1.00 0.00 C ATOM 482 OE1 GLU A 29 7.860 -0.588 11.493 1.00 0.00 O ATOM 483 OE2 GLU A 29 9.353 1.023 11.411 1.00 0.00 O ATOM 0 H GLU A 29 8.687 -2.456 6.968 1.00 0.00 H new ATOM 0 HA GLU A 29 7.305 -2.080 9.463 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.024 -0.518 7.587 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.912 0.418 8.564 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.664 -1.661 9.868 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.336 -0.101 9.437 1.00 0.00 H new ATOM 490 N VAL A 30 5.793 -1.411 6.693 1.00 0.00 N ATOM 491 CA VAL A 30 4.540 -0.970 6.090 1.00 0.00 C ATOM 492 C VAL A 30 3.441 -2.025 6.230 1.00 0.00 C ATOM 493 O VAL A 30 2.509 -1.868 7.019 1.00 0.00 O ATOM 494 CB VAL A 30 4.735 -0.641 4.596 1.00 0.00 C ATOM 495 CG1 VAL A 30 3.407 -0.297 3.935 1.00 0.00 C ATOM 496 CG2 VAL A 30 5.734 0.494 4.429 1.00 0.00 C ATOM 0 H VAL A 30 6.407 -1.921 6.058 1.00 0.00 H new ATOM 0 HA VAL A 30 4.232 -0.072 6.625 1.00 0.00 H new ATOM 0 HB VAL A 30 5.134 -1.526 4.100 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.573 -0.069 2.882 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.728 -1.145 4.020 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.968 0.570 4.429 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.861 0.714 3.369 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.365 1.382 4.943 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.693 0.200 4.856 1.00 0.00 H new ATOM 506 N ILE A 31 3.552 -3.089 5.440 1.00 0.00 N ATOM 507 CA ILE A 31 2.570 -4.172 5.441 1.00 0.00 C ATOM 508 C ILE A 31 2.157 -4.586 6.857 1.00 0.00 C ATOM 509 O ILE A 31 0.971 -4.769 7.130 1.00 0.00 O ATOM 510 CB ILE A 31 3.108 -5.400 4.666 1.00 0.00 C ATOM 511 CG1 ILE A 31 2.795 -5.259 3.175 1.00 0.00 C ATOM 512 CG2 ILE A 31 2.525 -6.702 5.206 1.00 0.00 C ATOM 513 CD1 ILE A 31 3.314 -3.975 2.564 1.00 0.00 C ATOM 0 H ILE A 31 4.321 -3.226 4.784 1.00 0.00 H new ATOM 0 HA ILE A 31 1.681 -3.790 4.939 1.00 0.00 H new ATOM 0 HB ILE A 31 4.189 -5.437 4.805 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.226 -6.106 2.641 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.715 -5.308 3.033 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.925 -7.543 4.639 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.794 -6.813 6.257 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.439 -6.682 5.109 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.055 -3.945 1.506 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.864 -3.122 3.072 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.398 -3.932 2.674 1.00 0.00 H new ATOM 525 N LEU A 32 3.130 -4.745 7.750 1.00 0.00 N ATOM 526 CA LEU A 32 2.830 -5.150 9.121 1.00 0.00 C ATOM 527 C LEU A 32 1.894 -4.155 9.808 1.00 0.00 C ATOM 528 O LEU A 32 1.290 -4.470 10.830 1.00 0.00 O ATOM 529 CB LEU A 32 4.124 -5.334 9.932 1.00 0.00 C ATOM 530 CG LEU A 32 4.573 -4.128 10.762 1.00 0.00 C ATOM 531 CD1 LEU A 32 5.930 -4.392 11.395 1.00 0.00 C ATOM 532 CD2 LEU A 32 4.615 -2.875 9.903 1.00 0.00 C ATOM 0 H LEU A 32 4.121 -4.602 7.553 1.00 0.00 H new ATOM 0 HA LEU A 32 2.314 -6.109 9.076 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.991 -6.183 10.603 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.927 -5.595 9.243 1.00 0.00 H new ATOM 0 HG LEU A 32 3.848 -3.970 11.561 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.233 -3.524 11.981 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.865 -5.264 12.045 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.666 -4.577 10.613 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.936 -2.028 10.510 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.317 -3.020 9.082 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.622 -2.677 9.500 1.00 0.00 H new ATOM 544 N THR A 33 1.772 -2.954 9.242 1.00 0.00 N ATOM 545 CA THR A 33 0.900 -1.931 9.811 1.00 0.00 C ATOM 546 C THR A 33 -0.510 -2.035 9.229 1.00 0.00 C ATOM 547 O THR A 33 -1.487 -1.654 9.873 1.00 0.00 O ATOM 548 CB THR A 33 1.471 -0.534 9.547 1.00 0.00 C ATOM 549 OG1 THR A 33 2.718 -0.368 10.197 1.00 0.00 O ATOM 550 CG2 THR A 33 0.563 0.587 10.012 1.00 0.00 C ATOM 0 H THR A 33 2.264 -2.668 8.395 1.00 0.00 H new ATOM 0 HA THR A 33 0.845 -2.094 10.887 1.00 0.00 H new ATOM 0 HB THR A 33 1.576 -0.471 8.464 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.443 -0.478 9.547 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.030 1.548 9.794 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.392 0.521 9.491 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.398 0.500 11.086 1.00 0.00 H new ATOM 558 N LEU A 34 -0.604 -2.547 8.006 1.00 0.00 N ATOM 559 CA LEU A 34 -1.892 -2.695 7.335 1.00 0.00 C ATOM 560 C LEU A 34 -2.566 -4.010 7.716 1.00 0.00 C ATOM 561 O LEU A 34 -3.792 -4.091 7.792 1.00 0.00 O ATOM 562 CB LEU A 34 -1.707 -2.628 5.818 1.00 0.00 C ATOM 563 CG LEU A 34 -0.865 -1.451 5.320 1.00 0.00 C ATOM 564 CD1 LEU A 34 -0.619 -1.567 3.823 1.00 0.00 C ATOM 565 CD2 LEU A 34 -1.546 -0.131 5.649 1.00 0.00 C ATOM 0 H LEU A 34 0.196 -2.866 7.459 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.534 -1.876 7.658 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.242 -3.555 5.483 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.690 -2.576 5.349 1.00 0.00 H new ATOM 0 HG LEU A 34 0.098 -1.477 5.829 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.019 -0.722 3.486 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.088 -2.496 3.612 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.573 -1.567 3.296 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.933 0.695 5.288 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.523 -0.096 5.167 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.670 -0.045 6.728 1.00 0.00 H new ATOM 577 N ARG A 35 -1.759 -5.040 7.946 1.00 0.00 N ATOM 578 CA ARG A 35 -2.279 -6.354 8.313 1.00 0.00 C ATOM 579 C ARG A 35 -2.304 -6.540 9.829 1.00 0.00 C ATOM 580 O ARG A 35 -2.347 -7.667 10.321 1.00 0.00 O ATOM 581 CB ARG A 35 -1.436 -7.454 7.667 1.00 0.00 C ATOM 582 CG ARG A 35 -1.119 -7.197 6.202 1.00 0.00 C ATOM 583 CD ARG A 35 -0.592 -8.448 5.518 1.00 0.00 C ATOM 584 NE ARG A 35 0.572 -9.000 6.206 1.00 0.00 N ATOM 585 CZ ARG A 35 1.429 -9.852 5.646 1.00 0.00 C ATOM 586 NH1 ARG A 35 1.257 -10.250 4.391 1.00 0.00 N ATOM 587 NH2 ARG A 35 2.463 -10.306 6.343 1.00 0.00 N ATOM 0 H ARG A 35 -0.742 -4.991 7.885 1.00 0.00 H new ATOM 0 HA ARG A 35 -3.303 -6.422 7.947 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.502 -7.556 8.220 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.964 -8.404 7.755 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -2.017 -6.852 5.690 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.380 -6.399 6.123 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.381 -9.200 5.480 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.326 -8.213 4.487 1.00 0.00 H new ATOM 0 HE ARG A 35 0.738 -8.717 7.172 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.465 -9.903 3.850 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.917 -10.903 3.968 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.601 -10.002 7.307 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.120 -10.959 5.915 1.00 0.00 H new ATOM 601 N LYS A 36 -2.276 -5.432 10.566 1.00 0.00 N ATOM 602 CA LYS A 36 -2.293 -5.487 12.023 1.00 0.00 C ATOM 603 C LYS A 36 -3.469 -4.703 12.595 1.00 0.00 C ATOM 604 O LYS A 36 -3.438 -4.281 13.751 1.00 0.00 O ATOM 605 CB LYS A 36 -0.992 -4.928 12.583 1.00 0.00 C ATOM 606 CG LYS A 36 0.026 -5.999 12.933 1.00 0.00 C ATOM 607 CD LYS A 36 0.022 -6.307 14.421 1.00 0.00 C ATOM 608 CE LYS A 36 1.297 -5.820 15.090 1.00 0.00 C ATOM 609 NZ LYS A 36 1.453 -6.376 16.462 1.00 0.00 N ATOM 0 H LYS A 36 -2.242 -4.489 10.179 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.401 -6.532 12.314 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.555 -4.247 11.853 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.212 -4.341 13.475 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.193 -6.907 12.372 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.020 -5.670 12.631 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.841 -5.834 14.890 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.083 -7.381 14.572 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.157 -6.105 14.483 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.288 -4.731 15.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.335 -6.019 16.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.646 -6.083 17.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.488 -7.414 16.414 1.00 0.00 H new ATOM 623 N LYS A 37 -4.495 -4.507 11.779 1.00 0.00 N ATOM 624 CA LYS A 37 -5.688 -3.772 12.193 1.00 0.00 C ATOM 625 C LYS A 37 -5.319 -2.487 12.934 1.00 0.00 C ATOM 626 O LYS A 37 -5.884 -2.175 13.982 1.00 0.00 O ATOM 627 CB LYS A 37 -6.579 -4.652 13.078 1.00 0.00 C ATOM 628 CG LYS A 37 -5.863 -5.235 14.288 1.00 0.00 C ATOM 629 CD LYS A 37 -6.831 -5.952 15.217 1.00 0.00 C ATOM 630 CE LYS A 37 -6.246 -7.258 15.729 1.00 0.00 C ATOM 631 NZ LYS A 37 -6.654 -8.418 14.888 1.00 0.00 N ATOM 0 H LYS A 37 -4.527 -4.849 10.818 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.239 -3.499 11.293 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.429 -4.062 13.421 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.979 -5.468 12.476 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.093 -5.931 13.956 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.358 -4.437 14.833 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.074 -5.306 16.060 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.763 -6.152 14.689 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.158 -7.187 15.746 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.570 -7.423 16.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.234 -9.289 15.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.691 -8.502 14.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.322 -8.274 13.913 1.00 0.00 H new ATOM 645 N GLU A 38 -4.365 -1.746 12.378 1.00 0.00 N ATOM 646 CA GLU A 38 -3.917 -0.496 12.981 1.00 0.00 C ATOM 647 C GLU A 38 -4.197 0.686 12.052 1.00 0.00 C ATOM 648 O GLU A 38 -3.818 0.664 10.882 1.00 0.00 O ATOM 649 CB GLU A 38 -2.422 -0.567 13.298 1.00 0.00 C ATOM 650 CG GLU A 38 -2.047 0.092 14.617 1.00 0.00 C ATOM 651 CD GLU A 38 -1.622 -0.913 15.671 1.00 0.00 C ATOM 652 OE1 GLU A 38 -0.552 -1.536 15.501 1.00 0.00 O ATOM 653 OE2 GLU A 38 -2.359 -1.075 16.667 1.00 0.00 O ATOM 0 H GLU A 38 -3.887 -1.990 11.510 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.471 -0.347 13.908 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.114 -1.612 13.323 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.865 -0.090 12.492 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.236 0.800 14.447 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.897 0.664 14.988 1.00 0.00 H new ATOM 660 N PRO A 39 -4.864 1.739 12.560 1.00 0.00 N ATOM 661 CA PRO A 39 -5.187 2.925 11.761 1.00 0.00 C ATOM 662 C PRO A 39 -3.957 3.781 11.474 1.00 0.00 C ATOM 663 O PRO A 39 -2.981 3.756 12.224 1.00 0.00 O ATOM 664 CB PRO A 39 -6.174 3.688 12.645 1.00 0.00 C ATOM 665 CG PRO A 39 -5.826 3.285 14.035 1.00 0.00 C ATOM 666 CD PRO A 39 -5.357 1.857 13.947 1.00 0.00 C ATOM 0 HA PRO A 39 -5.586 2.662 10.781 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.077 4.765 12.509 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.205 3.428 12.404 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -5.046 3.927 14.444 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.689 3.372 14.695 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -4.570 1.648 14.672 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -6.167 1.156 14.146 1.00 0.00 H new ATOM 674 N LEU A 40 -4.012 4.538 10.383 1.00 0.00 N ATOM 675 CA LEU A 40 -2.903 5.403 9.996 1.00 0.00 C ATOM 676 C LEU A 40 -3.196 6.857 10.353 1.00 0.00 C ATOM 677 O LEU A 40 -4.344 7.299 10.303 1.00 0.00 O ATOM 678 CB LEU A 40 -2.631 5.278 8.495 1.00 0.00 C ATOM 679 CG LEU A 40 -2.431 3.848 7.990 1.00 0.00 C ATOM 680 CD1 LEU A 40 -3.732 3.295 7.424 1.00 0.00 C ATOM 681 CD2 LEU A 40 -1.330 3.801 6.941 1.00 0.00 C ATOM 0 H LEU A 40 -4.812 4.570 9.751 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.018 5.085 10.546 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.463 5.726 7.952 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.742 5.860 8.253 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.130 3.225 8.832 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.571 2.277 7.069 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.495 3.292 8.202 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.063 3.920 6.594 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.202 2.776 6.594 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.602 4.438 6.099 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.396 4.155 7.378 1.00 0.00 H new ATOM 693 N ASP A 41 -2.152 7.594 10.713 1.00 0.00 N ATOM 694 CA ASP A 41 -2.296 8.999 11.077 1.00 0.00 C ATOM 695 C ASP A 41 -2.714 9.834 9.871 1.00 0.00 C ATOM 696 O ASP A 41 -2.515 9.430 8.726 1.00 0.00 O ATOM 697 CB ASP A 41 -0.984 9.534 11.653 1.00 0.00 C ATOM 698 CG ASP A 41 -0.769 9.113 13.093 1.00 0.00 C ATOM 699 OD1 ASP A 41 -0.328 7.967 13.318 1.00 0.00 O ATOM 700 OD2 ASP A 41 -1.042 9.931 13.998 1.00 0.00 O ATOM 0 H ASP A 41 -1.196 7.242 10.761 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.076 9.074 11.835 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.152 9.178 11.045 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.981 10.622 11.591 1.00 0.00 H new ATOM 705 N PRO A 42 -3.304 11.018 10.113 1.00 0.00 N ATOM 706 CA PRO A 42 -3.750 11.912 9.037 1.00 0.00 C ATOM 707 C PRO A 42 -2.583 12.452 8.216 1.00 0.00 C ATOM 708 O PRO A 42 -2.732 12.747 7.031 1.00 0.00 O ATOM 709 CB PRO A 42 -4.454 13.052 9.782 1.00 0.00 C ATOM 710 CG PRO A 42 -3.882 13.022 11.156 1.00 0.00 C ATOM 711 CD PRO A 42 -3.579 11.580 11.447 1.00 0.00 C ATOM 0 HA PRO A 42 -4.391 11.398 8.321 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -4.271 14.012 9.299 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -5.534 12.905 9.800 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.979 13.630 11.216 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.588 13.426 11.881 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.722 11.475 12.113 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.420 11.081 11.929 1.00 0.00 H new ATOM 719 N GLN A 43 -1.426 12.577 8.855 1.00 0.00 N ATOM 720 CA GLN A 43 -0.233 13.081 8.183 1.00 0.00 C ATOM 721 C GLN A 43 0.168 12.173 7.022 1.00 0.00 C ATOM 722 O GLN A 43 0.889 12.592 6.117 1.00 0.00 O ATOM 723 CB GLN A 43 0.924 13.198 9.176 1.00 0.00 C ATOM 724 CG GLN A 43 1.127 11.953 10.026 1.00 0.00 C ATOM 725 CD GLN A 43 2.524 11.380 9.900 1.00 0.00 C ATOM 726 OE1 GLN A 43 3.147 11.005 10.893 1.00 0.00 O ATOM 727 NE2 GLN A 43 3.026 11.309 8.672 1.00 0.00 N ATOM 0 H GLN A 43 -1.288 12.337 9.837 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.463 14.068 7.783 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.843 13.407 8.627 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.744 14.050 9.832 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.931 12.195 11.070 1.00 0.00 H new ATOM 0 HG3 GLN A 43 0.400 11.195 9.733 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.475 11.631 7.876 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.962 10.932 8.525 1.00 0.00 H new ATOM 736 N PHE A 44 -0.303 10.929 7.053 1.00 0.00 N ATOM 737 CA PHE A 44 0.008 9.968 6.001 1.00 0.00 C ATOM 738 C PHE A 44 -0.513 10.448 4.649 1.00 0.00 C ATOM 739 O PHE A 44 -0.012 10.038 3.601 1.00 0.00 O ATOM 740 CB PHE A 44 -0.592 8.600 6.337 1.00 0.00 C ATOM 741 CG PHE A 44 0.208 7.821 7.342 1.00 0.00 C ATOM 742 CD1 PHE A 44 0.635 8.414 8.520 1.00 0.00 C ATOM 743 CD2 PHE A 44 0.533 6.494 7.109 1.00 0.00 C ATOM 744 CE1 PHE A 44 1.371 7.698 9.445 1.00 0.00 C ATOM 745 CE2 PHE A 44 1.268 5.774 8.030 1.00 0.00 C ATOM 746 CZ PHE A 44 1.688 6.376 9.200 1.00 0.00 C ATOM 0 H PHE A 44 -0.901 10.564 7.795 1.00 0.00 H new ATOM 0 HA PHE A 44 1.092 9.876 5.938 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -1.603 8.740 6.720 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.677 8.015 5.421 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.390 9.447 8.717 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.208 6.017 6.196 1.00 0.00 H new ATOM 0 HE1 PHE A 44 1.698 8.172 10.359 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.514 4.741 7.836 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.263 5.815 9.922 1.00 0.00 H new ATOM 756 N GLN A 45 -1.521 11.316 4.677 1.00 0.00 N ATOM 757 CA GLN A 45 -2.106 11.848 3.451 1.00 0.00 C ATOM 758 C GLN A 45 -2.717 10.732 2.609 1.00 0.00 C ATOM 759 O GLN A 45 -2.565 10.709 1.387 1.00 0.00 O ATOM 760 CB GLN A 45 -1.048 12.598 2.638 1.00 0.00 C ATOM 761 CG GLN A 45 -0.475 13.809 3.355 1.00 0.00 C ATOM 762 CD GLN A 45 0.600 14.510 2.546 1.00 0.00 C ATOM 763 OE1 GLN A 45 0.314 15.148 1.532 1.00 0.00 O ATOM 764 NE2 GLN A 45 1.846 14.392 2.990 1.00 0.00 N ATOM 0 H GLN A 45 -1.949 11.665 5.535 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.899 12.543 3.729 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.236 11.913 2.394 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.488 12.920 1.694 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.279 14.513 3.571 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -0.058 13.497 4.313 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.037 13.854 3.835 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.612 14.840 2.486 1.00 0.00 H new ATOM 773 N ASP A 46 -3.408 9.809 3.270 1.00 0.00 N ATOM 774 CA ASP A 46 -4.043 8.691 2.581 1.00 0.00 C ATOM 775 C ASP A 46 -5.306 9.146 1.858 1.00 0.00 C ATOM 776 O ASP A 46 -6.413 9.022 2.381 1.00 0.00 O ATOM 777 CB ASP A 46 -4.384 7.579 3.576 1.00 0.00 C ATOM 778 CG ASP A 46 -5.264 8.067 4.710 1.00 0.00 C ATOM 779 OD1 ASP A 46 -4.758 8.817 5.572 1.00 0.00 O ATOM 780 OD2 ASP A 46 -6.456 7.699 4.736 1.00 0.00 O ATOM 0 H ASP A 46 -3.543 9.813 4.281 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.341 8.305 1.842 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -4.889 6.768 3.051 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.462 7.167 3.987 1.00 0.00 H new ATOM 785 N HIS A 47 -5.133 9.671 0.648 1.00 0.00 N ATOM 786 CA HIS A 47 -6.261 10.144 -0.146 1.00 0.00 C ATOM 787 C HIS A 47 -6.157 9.651 -1.585 1.00 0.00 C ATOM 788 O HIS A 47 -5.334 8.790 -1.901 1.00 0.00 O ATOM 789 CB HIS A 47 -6.329 11.672 -0.120 1.00 0.00 C ATOM 790 CG HIS A 47 -7.676 12.206 0.257 1.00 0.00 C ATOM 791 ND1 HIS A 47 -8.081 12.374 1.564 1.00 0.00 N ATOM 792 CD2 HIS A 47 -8.715 12.613 -0.512 1.00 0.00 C ATOM 793 CE1 HIS A 47 -9.310 12.860 1.583 1.00 0.00 C ATOM 794 NE2 HIS A 47 -9.717 13.014 0.337 1.00 0.00 N ATOM 0 H HIS A 47 -4.224 9.779 0.197 1.00 0.00 H new ATOM 0 HA HIS A 47 -7.174 9.742 0.292 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -5.588 12.048 0.585 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -6.057 12.056 -1.103 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -8.749 12.621 -1.591 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -9.884 13.092 2.468 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -10.628 13.373 0.051 1.00 0.00 H new ATOM 803 N ALA A 48 -6.995 10.205 -2.454 1.00 0.00 N ATOM 804 CA ALA A 48 -6.999 9.825 -3.861 1.00 0.00 C ATOM 805 C ALA A 48 -5.945 10.598 -4.645 1.00 0.00 C ATOM 806 O ALA A 48 -5.766 11.800 -4.444 1.00 0.00 O ATOM 807 CB ALA A 48 -8.379 10.052 -4.464 1.00 0.00 C ATOM 0 H ALA A 48 -7.681 10.919 -2.208 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.754 8.765 -3.925 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.369 9.764 -5.515 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.113 9.449 -3.930 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.644 11.106 -4.379 1.00 0.00 H new ATOM 813 N LEU A 49 -5.251 9.901 -5.538 1.00 0.00 N ATOM 814 CA LEU A 49 -4.214 10.522 -6.354 1.00 0.00 C ATOM 815 C LEU A 49 -4.830 11.342 -7.482 1.00 0.00 C ATOM 816 O LEU A 49 -6.049 11.505 -7.551 1.00 0.00 O ATOM 817 CB LEU A 49 -3.286 9.453 -6.935 1.00 0.00 C ATOM 818 CG LEU A 49 -2.655 8.513 -5.902 1.00 0.00 C ATOM 819 CD1 LEU A 49 -3.385 7.178 -5.877 1.00 0.00 C ATOM 820 CD2 LEU A 49 -1.176 8.308 -6.201 1.00 0.00 C ATOM 0 H LEU A 49 -5.388 8.906 -5.715 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.635 11.190 -5.716 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.849 8.855 -7.652 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.488 9.948 -7.489 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.747 8.972 -4.918 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.922 6.524 -5.138 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.431 7.340 -5.615 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.326 6.712 -6.861 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.744 7.638 -5.458 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.063 7.871 -7.193 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.661 9.268 -6.167 1.00 0.00 H new ATOM 832 N LYS A 50 -3.981 11.858 -8.365 1.00 0.00 N ATOM 833 CA LYS A 50 -4.442 12.661 -9.491 1.00 0.00 C ATOM 834 C LYS A 50 -3.927 12.094 -10.810 1.00 0.00 C ATOM 835 O LYS A 50 -2.887 11.437 -10.850 1.00 0.00 O ATOM 836 CB LYS A 50 -3.986 14.113 -9.333 1.00 0.00 C ATOM 837 CG LYS A 50 -4.247 14.687 -7.950 1.00 0.00 C ATOM 838 CD LYS A 50 -3.134 15.627 -7.518 1.00 0.00 C ATOM 839 CE LYS A 50 -3.592 16.562 -6.409 1.00 0.00 C ATOM 840 NZ LYS A 50 -4.567 17.574 -6.905 1.00 0.00 N ATOM 0 H LYS A 50 -2.969 11.734 -8.322 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.532 12.631 -9.503 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.919 14.175 -9.547 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.496 14.728 -10.074 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.197 15.222 -7.950 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.339 13.875 -7.229 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.278 15.046 -7.175 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.799 16.213 -8.374 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.048 15.980 -5.608 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.727 17.070 -5.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.624 18.362 -6.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.254 17.933 -7.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.504 17.134 -7.003 1.00 0.00 H new ATOM 854 N GLY A 51 -4.660 12.356 -11.886 1.00 0.00 N ATOM 855 CA GLY A 51 -4.262 11.865 -13.192 1.00 0.00 C ATOM 856 C GLY A 51 -4.956 10.572 -13.565 1.00 0.00 C ATOM 857 O GLY A 51 -6.171 10.544 -13.759 1.00 0.00 O ATOM 0 H GLY A 51 -5.523 12.900 -11.877 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.484 12.622 -13.944 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.183 11.711 -13.205 1.00 0.00 H new ATOM 861 N LYS A 52 -4.182 9.496 -13.668 1.00 0.00 N ATOM 862 CA LYS A 52 -4.729 8.190 -14.024 1.00 0.00 C ATOM 863 C LYS A 52 -5.056 7.371 -12.777 1.00 0.00 C ATOM 864 O LYS A 52 -5.837 6.421 -12.838 1.00 0.00 O ATOM 865 CB LYS A 52 -3.740 7.424 -14.904 1.00 0.00 C ATOM 866 CG LYS A 52 -3.516 8.065 -16.266 1.00 0.00 C ATOM 867 CD LYS A 52 -4.759 7.968 -17.141 1.00 0.00 C ATOM 868 CE LYS A 52 -5.370 9.336 -17.400 1.00 0.00 C ATOM 869 NZ LYS A 52 -5.108 9.807 -18.788 1.00 0.00 N ATOM 0 H LYS A 52 -3.174 9.502 -13.510 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.653 8.353 -14.579 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.785 7.351 -14.384 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.105 6.407 -15.046 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.243 9.112 -16.136 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.679 7.577 -16.766 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.501 7.499 -18.090 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.495 7.326 -16.658 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.446 9.292 -17.229 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.963 10.056 -16.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.541 10.743 -18.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.082 9.874 -18.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.518 9.134 -19.466 1.00 0.00 H new ATOM 883 N TRP A 53 -4.458 7.742 -11.648 1.00 0.00 N ATOM 884 CA TRP A 53 -4.691 7.036 -10.393 1.00 0.00 C ATOM 885 C TRP A 53 -5.761 7.739 -9.562 1.00 0.00 C ATOM 886 O TRP A 53 -5.735 7.696 -8.332 1.00 0.00 O ATOM 887 CB TRP A 53 -3.391 6.938 -9.593 1.00 0.00 C ATOM 888 CG TRP A 53 -2.229 6.452 -10.405 1.00 0.00 C ATOM 889 CD1 TRP A 53 -1.322 7.220 -11.078 1.00 0.00 C ATOM 890 CD2 TRP A 53 -1.850 5.091 -10.632 1.00 0.00 C ATOM 891 NE1 TRP A 53 -0.400 6.418 -11.709 1.00 0.00 N ATOM 892 CE2 TRP A 53 -0.705 5.107 -11.451 1.00 0.00 C ATOM 893 CE3 TRP A 53 -2.366 3.858 -10.223 1.00 0.00 C ATOM 894 CZ2 TRP A 53 -0.068 3.941 -11.866 1.00 0.00 C ATOM 895 CZ3 TRP A 53 -1.734 2.700 -10.636 1.00 0.00 C ATOM 896 CH2 TRP A 53 -0.596 2.748 -11.450 1.00 0.00 C ATOM 0 H TRP A 53 -3.810 8.526 -11.577 1.00 0.00 H new ATOM 0 HA TRP A 53 -5.043 6.032 -10.629 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -3.152 7.918 -9.180 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -3.542 6.265 -8.749 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -1.328 8.300 -11.110 1.00 0.00 H new ATOM 0 HE1 TRP A 53 0.382 6.745 -12.276 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -3.243 3.811 -9.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 0.811 3.976 -12.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -2.125 1.742 -10.326 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.125 1.826 -11.756 1.00 0.00 H new ATOM 907 N LYS A 54 -6.703 8.387 -10.243 1.00 0.00 N ATOM 908 CA LYS A 54 -7.781 9.102 -9.574 1.00 0.00 C ATOM 909 C LYS A 54 -8.756 8.139 -8.893 1.00 0.00 C ATOM 910 O LYS A 54 -9.015 8.258 -7.696 1.00 0.00 O ATOM 911 CB LYS A 54 -8.531 9.988 -10.572 1.00 0.00 C ATOM 912 CG LYS A 54 -8.460 11.470 -10.241 1.00 0.00 C ATOM 913 CD LYS A 54 -9.192 12.308 -11.277 1.00 0.00 C ATOM 914 CE LYS A 54 -10.642 12.538 -10.885 1.00 0.00 C ATOM 915 NZ LYS A 54 -11.213 13.741 -11.550 1.00 0.00 N ATOM 0 H LYS A 54 -6.739 8.430 -11.261 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.333 9.729 -8.803 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.121 9.827 -11.569 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.576 9.681 -10.604 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.894 11.645 -9.257 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.417 11.783 -10.189 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.688 13.268 -11.391 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.151 11.809 -12.245 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.233 11.662 -11.151 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.712 12.654 -9.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.203 13.863 -11.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.665 14.582 -11.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.170 13.620 -12.582 1.00 0.00 H new ATOM 929 N PRO A 55 -9.315 7.171 -9.643 1.00 0.00 N ATOM 930 CA PRO A 55 -10.266 6.199 -9.088 1.00 0.00 C ATOM 931 C PRO A 55 -9.657 5.342 -7.979 1.00 0.00 C ATOM 932 O PRO A 55 -10.369 4.619 -7.284 1.00 0.00 O ATOM 933 CB PRO A 55 -10.648 5.328 -10.290 1.00 0.00 C ATOM 934 CG PRO A 55 -9.562 5.539 -11.287 1.00 0.00 C ATOM 935 CD PRO A 55 -9.079 6.945 -11.081 1.00 0.00 C ATOM 0 HA PRO A 55 -11.116 6.698 -8.622 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.724 4.278 -10.007 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.617 5.620 -10.696 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.753 4.823 -11.140 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -9.932 5.398 -12.303 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.025 7.051 -11.338 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.631 7.655 -11.697 1.00 0.00 H new ATOM 943 N PHE A 56 -8.338 5.425 -7.813 1.00 0.00 N ATOM 944 CA PHE A 56 -7.653 4.654 -6.782 1.00 0.00 C ATOM 945 C PHE A 56 -7.258 5.544 -5.609 1.00 0.00 C ATOM 946 O PHE A 56 -7.395 6.766 -5.669 1.00 0.00 O ATOM 947 CB PHE A 56 -6.411 3.975 -7.364 1.00 0.00 C ATOM 948 CG PHE A 56 -6.713 3.061 -8.515 1.00 0.00 C ATOM 949 CD1 PHE A 56 -7.558 1.975 -8.352 1.00 0.00 C ATOM 950 CD2 PHE A 56 -6.151 3.287 -9.763 1.00 0.00 C ATOM 951 CE1 PHE A 56 -7.838 1.132 -9.411 1.00 0.00 C ATOM 952 CE2 PHE A 56 -6.429 2.447 -10.825 1.00 0.00 C ATOM 953 CZ PHE A 56 -7.272 1.367 -10.648 1.00 0.00 C ATOM 0 H PHE A 56 -7.727 6.016 -8.377 1.00 0.00 H new ATOM 0 HA PHE A 56 -8.340 3.890 -6.419 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.708 4.741 -7.693 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.916 3.405 -6.578 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.003 1.785 -7.386 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -5.489 4.128 -9.906 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.499 0.290 -9.271 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -5.987 2.635 -11.793 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.488 0.708 -11.476 1.00 0.00 H new ATOM 963 N ARG A 57 -6.769 4.923 -4.541 1.00 0.00 N ATOM 964 CA ARG A 57 -6.357 5.657 -3.350 1.00 0.00 C ATOM 965 C ARG A 57 -4.881 5.417 -3.050 1.00 0.00 C ATOM 966 O ARG A 57 -4.302 4.424 -3.489 1.00 0.00 O ATOM 967 CB ARG A 57 -7.207 5.245 -2.147 1.00 0.00 C ATOM 968 CG ARG A 57 -7.148 6.232 -0.991 1.00 0.00 C ATOM 969 CD ARG A 57 -8.526 6.491 -0.405 1.00 0.00 C ATOM 970 NE ARG A 57 -9.104 7.739 -0.899 1.00 0.00 N ATOM 971 CZ ARG A 57 -10.401 8.029 -0.837 1.00 0.00 C ATOM 972 NH1 ARG A 57 -11.258 7.167 -0.303 1.00 0.00 N ATOM 973 NH2 ARG A 57 -10.845 9.186 -1.311 1.00 0.00 N ATOM 0 H ARG A 57 -6.648 3.912 -4.476 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.505 6.720 -3.540 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.243 5.134 -2.466 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.875 4.268 -1.796 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.489 5.844 -0.214 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.716 7.172 -1.336 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.188 5.661 -0.654 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.457 6.529 0.682 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.477 8.427 -1.315 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.923 6.276 0.063 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.251 7.396 -0.259 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.192 9.853 -1.723 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.839 9.409 -1.264 1.00 0.00 H new ATOM 987 N GLU A 58 -4.276 6.332 -2.301 1.00 0.00 N ATOM 988 CA GLU A 58 -2.867 6.219 -1.945 1.00 0.00 C ATOM 989 C GLU A 58 -2.680 6.256 -0.432 1.00 0.00 C ATOM 990 O GLU A 58 -3.574 6.674 0.305 1.00 0.00 O ATOM 991 CB GLU A 58 -2.062 7.345 -2.596 1.00 0.00 C ATOM 992 CG GLU A 58 -0.568 7.066 -2.662 1.00 0.00 C ATOM 993 CD GLU A 58 -0.252 5.735 -3.314 1.00 0.00 C ATOM 994 OE1 GLU A 58 -0.172 5.687 -4.560 1.00 0.00 O ATOM 995 OE2 GLU A 58 -0.082 4.739 -2.578 1.00 0.00 O ATOM 0 H GLU A 58 -4.740 7.161 -1.929 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.503 5.260 -2.314 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.437 7.512 -3.606 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.227 8.267 -2.039 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.077 7.865 -3.218 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.155 7.080 -1.653 1.00 0.00 H new ATOM 1002 N CYS A 59 -1.512 5.817 0.025 1.00 0.00 N ATOM 1003 CA CYS A 59 -1.204 5.800 1.450 1.00 0.00 C ATOM 1004 C CYS A 59 0.303 5.859 1.678 1.00 0.00 C ATOM 1005 O CYS A 59 1.027 4.918 1.354 1.00 0.00 O ATOM 1006 CB CYS A 59 -1.781 4.543 2.102 1.00 0.00 C ATOM 1007 SG CYS A 59 -2.320 4.779 3.812 1.00 0.00 S ATOM 0 H CYS A 59 -0.762 5.468 -0.572 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.659 6.679 1.907 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.628 4.196 1.510 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.029 3.755 2.075 1.00 0.00 H new ATOM 0 HG CYS A 59 -2.412 3.624 4.401 1.00 0.00 H new ATOM 1013 N HIS A 60 0.768 6.972 2.235 1.00 0.00 N ATOM 1014 CA HIS A 60 2.191 7.155 2.504 1.00 0.00 C ATOM 1015 C HIS A 60 2.571 6.559 3.857 1.00 0.00 C ATOM 1016 O HIS A 60 2.858 7.287 4.808 1.00 0.00 O ATOM 1017 CB HIS A 60 2.553 8.640 2.465 1.00 0.00 C ATOM 1018 CG HIS A 60 2.232 9.304 1.161 1.00 0.00 C ATOM 1019 ND1 HIS A 60 2.888 10.429 0.709 1.00 0.00 N ATOM 1020 CD2 HIS A 60 1.321 8.992 0.209 1.00 0.00 C ATOM 1021 CE1 HIS A 60 2.392 10.783 -0.464 1.00 0.00 C ATOM 1022 NE2 HIS A 60 1.440 9.928 -0.789 1.00 0.00 N ATOM 0 H HIS A 60 0.182 7.760 2.509 1.00 0.00 H new ATOM 0 HA HIS A 60 2.752 6.633 1.729 1.00 0.00 H new ATOM 0 HB2 HIS A 60 2.022 9.155 3.265 1.00 0.00 H new ATOM 0 HB3 HIS A 60 3.619 8.751 2.666 1.00 0.00 H new ATOM 0 HD2 HIS A 60 0.630 8.162 0.230 1.00 0.00 H new ATOM 0 HE1 HIS A 60 2.711 11.628 -1.056 1.00 0.00 H new ATOM 0 HE2 HIS A 60 0.883 9.958 -1.643 1.00 0.00 H new ATOM 1031 N ILE A 61 2.573 5.233 3.934 1.00 0.00 N ATOM 1032 CA ILE A 61 2.922 4.540 5.170 1.00 0.00 C ATOM 1033 C ILE A 61 4.331 4.905 5.624 1.00 0.00 C ATOM 1034 O ILE A 61 4.643 4.854 6.814 1.00 0.00 O ATOM 1035 CB ILE A 61 2.829 3.011 5.004 1.00 0.00 C ATOM 1036 CG1 ILE A 61 1.474 2.622 4.408 1.00 0.00 C ATOM 1037 CG2 ILE A 61 3.044 2.318 6.342 1.00 0.00 C ATOM 1038 CD1 ILE A 61 1.520 2.373 2.915 1.00 0.00 C ATOM 0 H ILE A 61 2.337 4.616 3.156 1.00 0.00 H new ATOM 0 HA ILE A 61 2.204 4.860 5.925 1.00 0.00 H new ATOM 0 HB ILE A 61 3.613 2.687 4.319 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.111 1.724 4.907 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.754 3.414 4.614 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.975 1.238 6.208 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.030 2.573 6.730 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.281 2.645 7.048 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.526 2.102 2.561 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.853 3.277 2.405 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.215 1.560 2.703 1.00 0.00 H new ATOM 1050 N LYS A 62 5.177 5.268 4.667 1.00 0.00 N ATOM 1051 CA LYS A 62 6.556 5.638 4.964 1.00 0.00 C ATOM 1052 C LYS A 62 7.058 6.681 3.972 1.00 0.00 C ATOM 1053 O LYS A 62 6.450 6.893 2.922 1.00 0.00 O ATOM 1054 CB LYS A 62 7.451 4.398 4.920 1.00 0.00 C ATOM 1055 CG LYS A 62 7.487 3.628 6.231 1.00 0.00 C ATOM 1056 CD LYS A 62 8.910 3.279 6.640 1.00 0.00 C ATOM 1057 CE LYS A 62 9.125 3.471 8.134 1.00 0.00 C ATOM 1058 NZ LYS A 62 7.982 2.948 8.935 1.00 0.00 N ATOM 0 H LYS A 62 4.932 5.314 3.678 1.00 0.00 H new ATOM 0 HA LYS A 62 6.591 6.069 5.965 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.101 3.735 4.128 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.465 4.701 4.658 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.019 4.223 7.015 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.902 2.714 6.132 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.123 2.245 6.371 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.612 3.904 6.087 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.041 2.964 8.436 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.262 4.531 8.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.393 3.742 9.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.410 2.309 8.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.345 2.428 9.759 1.00 0.00 H new ATOM 1072 N PRO A 63 8.181 7.352 4.286 1.00 0.00 N ATOM 1073 CA PRO A 63 8.758 8.378 3.407 1.00 0.00 C ATOM 1074 C PRO A 63 9.301 7.803 2.102 1.00 0.00 C ATOM 1075 O PRO A 63 9.759 8.541 1.231 1.00 0.00 O ATOM 1076 CB PRO A 63 9.892 8.974 4.245 1.00 0.00 C ATOM 1077 CG PRO A 63 10.252 7.904 5.217 1.00 0.00 C ATOM 1078 CD PRO A 63 8.975 7.171 5.517 1.00 0.00 C ATOM 0 HA PRO A 63 8.009 9.107 3.098 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.744 9.245 3.621 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.571 9.881 4.757 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.999 7.231 4.797 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.680 8.329 6.125 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.156 6.117 5.727 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.468 7.587 6.387 1.00 0.00 H new ATOM 1086 N ASP A 64 9.241 6.484 1.973 1.00 0.00 N ATOM 1087 CA ASP A 64 9.719 5.806 0.775 1.00 0.00 C ATOM 1088 C ASP A 64 8.770 4.679 0.379 1.00 0.00 C ATOM 1089 O ASP A 64 9.179 3.703 -0.250 1.00 0.00 O ATOM 1090 CB ASP A 64 11.124 5.248 1.006 1.00 0.00 C ATOM 1091 CG ASP A 64 11.225 4.457 2.296 1.00 0.00 C ATOM 1092 OD1 ASP A 64 10.743 3.305 2.326 1.00 0.00 O ATOM 1093 OD2 ASP A 64 11.784 4.991 3.277 1.00 0.00 O ATOM 0 H ASP A 64 8.864 5.860 2.687 1.00 0.00 H new ATOM 0 HA ASP A 64 9.755 6.532 -0.037 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.401 4.608 0.168 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.839 6.070 1.030 1.00 0.00 H new ATOM 1098 N VAL A 65 7.501 4.818 0.753 1.00 0.00 N ATOM 1099 CA VAL A 65 6.495 3.810 0.438 1.00 0.00 C ATOM 1100 C VAL A 65 5.150 4.452 0.120 1.00 0.00 C ATOM 1101 O VAL A 65 4.790 5.482 0.691 1.00 0.00 O ATOM 1102 CB VAL A 65 6.313 2.816 1.601 1.00 0.00 C ATOM 1103 CG1 VAL A 65 5.303 1.739 1.238 1.00 0.00 C ATOM 1104 CG2 VAL A 65 7.648 2.195 1.980 1.00 0.00 C ATOM 0 H VAL A 65 7.146 5.619 1.275 1.00 0.00 H new ATOM 0 HA VAL A 65 6.853 3.272 -0.440 1.00 0.00 H new ATOM 0 HB VAL A 65 5.929 3.362 2.463 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.191 1.049 2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.341 2.202 1.018 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.652 1.193 0.361 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.503 1.495 2.803 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.060 1.665 1.121 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.340 2.979 2.288 1.00 0.00 H new ATOM 1114 N LEU A 66 4.412 3.832 -0.793 1.00 0.00 N ATOM 1115 CA LEU A 66 3.102 4.334 -1.192 1.00 0.00 C ATOM 1116 C LEU A 66 2.175 3.183 -1.569 1.00 0.00 C ATOM 1117 O LEU A 66 2.208 2.691 -2.696 1.00 0.00 O ATOM 1118 CB LEU A 66 3.233 5.301 -2.372 1.00 0.00 C ATOM 1119 CG LEU A 66 4.526 6.117 -2.409 1.00 0.00 C ATOM 1120 CD1 LEU A 66 4.757 6.688 -3.800 1.00 0.00 C ATOM 1121 CD2 LEU A 66 4.482 7.231 -1.375 1.00 0.00 C ATOM 0 H LEU A 66 4.699 2.979 -1.272 1.00 0.00 H new ATOM 0 HA LEU A 66 2.673 4.867 -0.343 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.156 4.731 -3.298 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.389 5.990 -2.351 1.00 0.00 H new ATOM 0 HG LEU A 66 5.358 5.456 -2.167 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.681 7.266 -3.807 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.833 5.873 -4.520 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.923 7.335 -4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.410 7.802 -1.415 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.641 7.891 -1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.364 6.800 -0.381 1.00 0.00 H new ATOM 1133 N LEU A 67 1.348 2.757 -0.619 1.00 0.00 N ATOM 1134 CA LEU A 67 0.413 1.663 -0.855 1.00 0.00 C ATOM 1135 C LEU A 67 -0.868 2.170 -1.505 1.00 0.00 C ATOM 1136 O LEU A 67 -1.435 3.179 -1.084 1.00 0.00 O ATOM 1137 CB LEU A 67 0.086 0.947 0.463 1.00 0.00 C ATOM 1138 CG LEU A 67 -1.065 -0.067 0.403 1.00 0.00 C ATOM 1139 CD1 LEU A 67 -2.411 0.640 0.458 1.00 0.00 C ATOM 1140 CD2 LEU A 67 -0.962 -0.931 -0.849 1.00 0.00 C ATOM 0 H LEU A 67 1.307 3.152 0.320 1.00 0.00 H new ATOM 0 HA LEU A 67 0.886 0.956 -1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.983 0.431 0.807 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.156 1.700 1.213 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.986 -0.719 1.273 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.212 -0.098 0.414 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.488 1.204 1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.499 1.321 -0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.788 -1.642 -0.870 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.007 -0.296 -1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.017 -1.474 -0.840 1.00 0.00 H new ATOM 1152 N VAL A 68 -1.327 1.456 -2.527 1.00 0.00 N ATOM 1153 CA VAL A 68 -2.551 1.821 -3.228 1.00 0.00 C ATOM 1154 C VAL A 68 -3.675 0.858 -2.870 1.00 0.00 C ATOM 1155 O VAL A 68 -3.572 -0.347 -3.094 1.00 0.00 O ATOM 1156 CB VAL A 68 -2.346 1.829 -4.757 1.00 0.00 C ATOM 1157 CG1 VAL A 68 -3.651 2.135 -5.479 1.00 0.00 C ATOM 1158 CG2 VAL A 68 -1.272 2.833 -5.138 1.00 0.00 C ATOM 0 H VAL A 68 -0.868 0.620 -2.888 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.821 2.829 -2.912 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.018 0.836 -5.065 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.480 2.135 -6.555 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.392 1.375 -5.229 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.017 3.114 -5.170 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.137 2.829 -6.220 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.574 3.829 -4.814 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.333 2.563 -4.654 1.00 0.00 H new ATOM 1168 N TYR A 69 -4.744 1.399 -2.299 1.00 0.00 N ATOM 1169 CA TYR A 69 -5.886 0.586 -1.897 1.00 0.00 C ATOM 1170 C TYR A 69 -7.200 1.254 -2.290 1.00 0.00 C ATOM 1171 O TYR A 69 -7.209 2.354 -2.841 1.00 0.00 O ATOM 1172 CB TYR A 69 -5.849 0.337 -0.386 1.00 0.00 C ATOM 1173 CG TYR A 69 -6.091 1.579 0.442 1.00 0.00 C ATOM 1174 CD1 TYR A 69 -5.135 2.584 0.521 1.00 0.00 C ATOM 1175 CD2 TYR A 69 -7.277 1.748 1.146 1.00 0.00 C ATOM 1176 CE1 TYR A 69 -5.352 3.719 1.277 1.00 0.00 C ATOM 1177 CE2 TYR A 69 -7.503 2.880 1.904 1.00 0.00 C ATOM 1178 CZ TYR A 69 -6.538 3.863 1.966 1.00 0.00 C ATOM 1179 OH TYR A 69 -6.759 4.993 2.720 1.00 0.00 O ATOM 0 H TYR A 69 -4.845 2.395 -2.104 1.00 0.00 H new ATOM 0 HA TYR A 69 -5.824 -0.370 -2.417 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.601 -0.410 -0.132 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -4.879 -0.083 -0.120 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -4.206 2.476 -0.018 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.035 0.981 1.100 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -4.597 4.490 1.328 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -8.430 2.995 2.445 1.00 0.00 H new ATOM 0 HH TYR A 69 -7.643 4.938 3.140 1.00 0.00 H new ATOM 1189 N LEU A 70 -8.310 0.582 -2.002 1.00 0.00 N ATOM 1190 CA LEU A 70 -9.630 1.111 -2.325 1.00 0.00 C ATOM 1191 C LEU A 70 -10.555 1.042 -1.115 1.00 0.00 C ATOM 1192 O LEU A 70 -10.237 0.401 -0.113 1.00 0.00 O ATOM 1193 CB LEU A 70 -10.240 0.336 -3.494 1.00 0.00 C ATOM 1194 CG LEU A 70 -11.002 1.189 -4.509 1.00 0.00 C ATOM 1195 CD1 LEU A 70 -10.062 2.169 -5.196 1.00 0.00 C ATOM 1196 CD2 LEU A 70 -11.695 0.306 -5.536 1.00 0.00 C ATOM 0 H LEU A 70 -8.321 -0.330 -1.545 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.515 2.156 -2.612 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.442 -0.194 -4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -10.918 -0.419 -3.095 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.763 1.759 -3.976 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.622 2.767 -5.915 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.612 2.825 -4.451 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.278 1.618 -5.715 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.232 0.931 -6.250 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.951 -0.291 -6.064 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.399 -0.355 -5.031 1.00 0.00 H new ATOM 1208 N VAL A 71 -11.702 1.707 -1.215 1.00 0.00 N ATOM 1209 CA VAL A 71 -12.674 1.722 -0.129 1.00 0.00 C ATOM 1210 C VAL A 71 -14.013 1.149 -0.582 1.00 0.00 C ATOM 1211 O VAL A 71 -14.724 1.764 -1.377 1.00 0.00 O ATOM 1212 CB VAL A 71 -12.895 3.148 0.410 1.00 0.00 C ATOM 1213 CG1 VAL A 71 -13.755 3.119 1.664 1.00 0.00 C ATOM 1214 CG2 VAL A 71 -11.563 3.827 0.684 1.00 0.00 C ATOM 0 H VAL A 71 -11.980 2.242 -2.037 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.266 1.100 0.668 1.00 0.00 H new ATOM 0 HB VAL A 71 -13.422 3.726 -0.349 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.900 4.136 2.030 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -14.723 2.676 1.431 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -13.259 2.525 2.432 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -11.739 4.833 1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -11.007 3.252 1.424 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.987 3.884 -0.239 1.00 0.00 H new ATOM 1224 N LYS A 72 -14.349 -0.031 -0.072 1.00 0.00 N ATOM 1225 CA LYS A 72 -15.603 -0.687 -0.424 1.00 0.00 C ATOM 1226 C LYS A 72 -16.635 -0.514 0.687 1.00 0.00 C ATOM 1227 O LYS A 72 -16.341 0.054 1.737 1.00 0.00 O ATOM 1228 CB LYS A 72 -15.365 -2.175 -0.694 1.00 0.00 C ATOM 1229 CG LYS A 72 -16.036 -2.677 -1.963 1.00 0.00 C ATOM 1230 CD LYS A 72 -17.056 -3.764 -1.663 1.00 0.00 C ATOM 1231 CE LYS A 72 -18.301 -3.610 -2.521 1.00 0.00 C ATOM 1232 NZ LYS A 72 -19.412 -4.483 -2.052 1.00 0.00 N ATOM 0 H LYS A 72 -13.770 -0.553 0.586 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.990 -0.220 -1.330 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.292 -2.356 -0.764 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.732 -2.753 0.154 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.527 -1.846 -2.469 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.280 -3.065 -2.646 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.609 -4.742 -1.840 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.332 -3.725 -0.609 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -18.626 -2.570 -2.505 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -18.061 -3.853 -3.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -20.242 -4.348 -2.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -19.112 -5.478 -2.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -19.659 -4.234 -1.073 1.00 0.00 H new ATOM 1246 N ASP A 73 -17.845 -1.010 0.446 1.00 0.00 N ATOM 1247 CA ASP A 73 -18.919 -0.911 1.428 1.00 0.00 C ATOM 1248 C ASP A 73 -18.533 -1.608 2.729 1.00 0.00 C ATOM 1249 O ASP A 73 -18.561 -2.835 2.819 1.00 0.00 O ATOM 1250 CB ASP A 73 -20.206 -1.519 0.872 1.00 0.00 C ATOM 1251 CG ASP A 73 -20.667 -0.835 -0.400 1.00 0.00 C ATOM 1252 OD1 ASP A 73 -21.357 0.201 -0.301 1.00 0.00 O ATOM 1253 OD2 ASP A 73 -20.339 -1.338 -1.496 1.00 0.00 O ATOM 0 H ASP A 73 -18.106 -1.483 -0.419 1.00 0.00 H new ATOM 0 HA ASP A 73 -19.087 0.145 1.639 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -20.048 -2.579 0.674 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -20.992 -1.449 1.624 1.00 0.00 H new ATOM 1258 N ASP A 74 -18.171 -0.816 3.732 1.00 0.00 N ATOM 1259 CA ASP A 74 -17.775 -1.355 5.030 1.00 0.00 C ATOM 1260 C ASP A 74 -16.628 -2.351 4.885 1.00 0.00 C ATOM 1261 O ASP A 74 -16.445 -3.227 5.730 1.00 0.00 O ATOM 1262 CB ASP A 74 -18.969 -2.031 5.707 1.00 0.00 C ATOM 1263 CG ASP A 74 -19.753 -1.075 6.586 1.00 0.00 C ATOM 1264 OD1 ASP A 74 -20.464 -0.208 6.035 1.00 0.00 O ATOM 1265 OD2 ASP A 74 -19.656 -1.194 7.826 1.00 0.00 O ATOM 0 H ASP A 74 -18.143 0.202 3.672 1.00 0.00 H new ATOM 0 HA ASP A 74 -17.432 -0.526 5.649 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -19.630 -2.444 4.945 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -18.616 -2.868 6.310 1.00 0.00 H new ATOM 1270 N GLU A 75 -15.858 -2.213 3.809 1.00 0.00 N ATOM 1271 CA GLU A 75 -14.730 -3.103 3.556 1.00 0.00 C ATOM 1272 C GLU A 75 -13.626 -2.379 2.792 1.00 0.00 C ATOM 1273 O GLU A 75 -13.887 -1.422 2.063 1.00 0.00 O ATOM 1274 CB GLU A 75 -15.189 -4.330 2.765 1.00 0.00 C ATOM 1275 CG GLU A 75 -16.091 -5.266 3.555 1.00 0.00 C ATOM 1276 CD GLU A 75 -16.792 -6.279 2.673 1.00 0.00 C ATOM 1277 OE1 GLU A 75 -16.157 -6.776 1.719 1.00 0.00 O ATOM 1278 OE2 GLU A 75 -17.976 -6.577 2.937 1.00 0.00 O ATOM 0 H GLU A 75 -15.995 -1.494 3.099 1.00 0.00 H new ATOM 0 HA GLU A 75 -14.332 -3.425 4.518 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -15.718 -3.998 1.872 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.312 -4.883 2.429 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -15.498 -5.790 4.304 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -16.836 -4.679 4.092 1.00 0.00 H new ATOM 1285 N LEU A 76 -12.391 -2.842 2.963 1.00 0.00 N ATOM 1286 CA LEU A 76 -11.248 -2.239 2.286 1.00 0.00 C ATOM 1287 C LEU A 76 -10.493 -3.283 1.470 1.00 0.00 C ATOM 1288 O LEU A 76 -10.383 -4.440 1.876 1.00 0.00 O ATOM 1289 CB LEU A 76 -10.308 -1.589 3.303 1.00 0.00 C ATOM 1290 CG LEU A 76 -9.097 -0.873 2.703 1.00 0.00 C ATOM 1291 CD1 LEU A 76 -8.785 0.396 3.481 1.00 0.00 C ATOM 1292 CD2 LEU A 76 -7.889 -1.798 2.680 1.00 0.00 C ATOM 0 H LEU A 76 -12.157 -3.632 3.564 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.620 -1.471 1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.878 -0.872 3.895 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.953 -2.358 3.989 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.336 -0.594 1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.920 0.891 3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.644 1.066 3.445 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.566 0.142 4.518 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.036 -1.272 2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.649 -2.108 3.697 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.115 -2.677 2.077 1.00 0.00 H new ATOM 1304 N ILE A 77 -9.975 -2.869 0.318 1.00 0.00 N ATOM 1305 CA ILE A 77 -9.235 -3.775 -0.553 1.00 0.00 C ATOM 1306 C ILE A 77 -7.887 -3.181 -0.955 1.00 0.00 C ATOM 1307 O ILE A 77 -7.788 -1.996 -1.269 1.00 0.00 O ATOM 1308 CB ILE A 77 -10.036 -4.110 -1.828 1.00 0.00 C ATOM 1309 CG1 ILE A 77 -10.249 -2.852 -2.674 1.00 0.00 C ATOM 1310 CG2 ILE A 77 -11.372 -4.743 -1.462 1.00 0.00 C ATOM 1311 CD1 ILE A 77 -9.167 -2.631 -3.709 1.00 0.00 C ATOM 0 H ILE A 77 -10.054 -1.915 -0.033 1.00 0.00 H new ATOM 0 HA ILE A 77 -9.069 -4.690 0.015 1.00 0.00 H new ATOM 0 HB ILE A 77 -9.465 -4.826 -2.419 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -11.214 -2.921 -3.177 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -10.294 -1.984 -2.016 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -11.926 -4.974 -2.372 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -11.198 -5.661 -0.900 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.949 -4.048 -0.852 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -9.382 -1.723 -4.272 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.203 -2.530 -3.211 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.136 -3.481 -4.391 1.00 0.00 H new ATOM 1323 N LEU A 78 -6.854 -4.018 -0.948 1.00 0.00 N ATOM 1324 CA LEU A 78 -5.515 -3.579 -1.319 1.00 0.00 C ATOM 1325 C LEU A 78 -5.318 -3.678 -2.828 1.00 0.00 C ATOM 1326 O LEU A 78 -5.629 -4.701 -3.438 1.00 0.00 O ATOM 1327 CB LEU A 78 -4.459 -4.420 -0.598 1.00 0.00 C ATOM 1328 CG LEU A 78 -4.513 -4.355 0.930 1.00 0.00 C ATOM 1329 CD1 LEU A 78 -3.496 -5.306 1.541 1.00 0.00 C ATOM 1330 CD2 LEU A 78 -4.270 -2.932 1.411 1.00 0.00 C ATOM 0 H LEU A 78 -6.919 -5.003 -0.690 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.402 -2.537 -1.019 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.571 -5.459 -0.907 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.472 -4.095 -0.926 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.508 -4.663 1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.549 -5.246 2.628 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.714 -6.325 1.223 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.495 -5.029 1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.312 -2.904 2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.288 -2.598 1.077 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.036 -2.274 1.001 1.00 0.00 H new ATOM 1342 N LEU A 79 -4.806 -2.608 -3.428 1.00 0.00 N ATOM 1343 CA LEU A 79 -4.579 -2.579 -4.868 1.00 0.00 C ATOM 1344 C LEU A 79 -3.167 -3.044 -5.211 1.00 0.00 C ATOM 1345 O LEU A 79 -2.974 -4.153 -5.708 1.00 0.00 O ATOM 1346 CB LEU A 79 -4.820 -1.170 -5.417 1.00 0.00 C ATOM 1347 CG LEU A 79 -5.815 -1.092 -6.577 1.00 0.00 C ATOM 1348 CD1 LEU A 79 -7.215 -0.800 -6.062 1.00 0.00 C ATOM 1349 CD2 LEU A 79 -5.382 -0.032 -7.579 1.00 0.00 C ATOM 0 H LEU A 79 -4.541 -1.752 -2.941 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.285 -3.266 -5.334 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.179 -0.536 -4.606 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.867 -0.756 -5.746 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.831 -2.058 -7.082 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.908 -0.748 -6.902 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.526 -1.594 -5.383 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.216 0.152 -5.531 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.101 0.010 -8.397 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.337 0.939 -7.085 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.398 -0.284 -7.973 1.00 0.00 H new ATOM 1361 N ARG A 80 -2.182 -2.191 -4.948 1.00 0.00 N ATOM 1362 CA ARG A 80 -0.793 -2.524 -5.236 1.00 0.00 C ATOM 1363 C ARG A 80 0.163 -1.726 -4.356 1.00 0.00 C ATOM 1364 O ARG A 80 -0.262 -0.891 -3.556 1.00 0.00 O ATOM 1365 CB ARG A 80 -0.482 -2.266 -6.711 1.00 0.00 C ATOM 1366 CG ARG A 80 -0.933 -0.897 -7.199 1.00 0.00 C ATOM 1367 CD ARG A 80 0.241 0.055 -7.352 1.00 0.00 C ATOM 1368 NE ARG A 80 0.703 0.135 -8.738 1.00 0.00 N ATOM 1369 CZ ARG A 80 1.804 0.778 -9.115 1.00 0.00 C ATOM 1370 NH1 ARG A 80 2.560 1.400 -8.218 1.00 0.00 N ATOM 1371 NH2 ARG A 80 2.153 0.801 -10.394 1.00 0.00 N ATOM 0 H ARG A 80 -2.320 -1.268 -4.537 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.652 -3.583 -5.018 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.592 -2.363 -6.869 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -0.964 -3.035 -7.315 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -1.445 -1.001 -8.156 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -1.653 -0.478 -6.496 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -0.050 1.048 -7.009 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.061 -0.275 -6.715 1.00 0.00 H new ATOM 0 HE ARG A 80 0.148 -0.330 -9.457 1.00 0.00 H new ATOM 0 HH11 ARG A 80 2.297 1.387 -7.232 1.00 0.00 H new ATOM 0 HH12 ARG A 80 3.403 1.891 -8.514 1.00 0.00 H new ATOM 0 HH21 ARG A 80 1.577 0.325 -11.088 1.00 0.00 H new ATOM 0 HH22 ARG A 80 2.998 1.294 -10.683 1.00 0.00 H new ATOM 1385 N LEU A 81 1.455 -1.993 -4.509 1.00 0.00 N ATOM 1386 CA LEU A 81 2.482 -1.308 -3.732 1.00 0.00 C ATOM 1387 C LEU A 81 3.435 -0.542 -4.644 1.00 0.00 C ATOM 1388 O LEU A 81 3.887 -1.063 -5.665 1.00 0.00 O ATOM 1389 CB LEU A 81 3.266 -2.318 -2.890 1.00 0.00 C ATOM 1390 CG LEU A 81 4.127 -1.713 -1.778 1.00 0.00 C ATOM 1391 CD1 LEU A 81 5.314 -0.966 -2.369 1.00 0.00 C ATOM 1392 CD2 LEU A 81 3.295 -0.789 -0.901 1.00 0.00 C ATOM 0 H LEU A 81 1.818 -2.682 -5.167 1.00 0.00 H new ATOM 0 HA LEU A 81 1.990 -0.594 -3.071 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.561 -3.017 -2.441 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.910 -2.896 -3.552 1.00 0.00 H new ATOM 0 HG LEU A 81 4.507 -2.524 -1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.915 -0.543 -1.564 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.924 -1.656 -2.953 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.955 -0.164 -3.014 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.924 -0.368 -0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.885 0.018 -1.509 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.479 -1.353 -0.449 1.00 0.00 H new ATOM 1404 N GLY A 82 3.738 0.697 -4.271 1.00 0.00 N ATOM 1405 CA GLY A 82 4.636 1.513 -5.066 1.00 0.00 C ATOM 1406 C GLY A 82 5.576 2.343 -4.213 1.00 0.00 C ATOM 1407 O GLY A 82 5.615 2.189 -2.993 1.00 0.00 O ATOM 0 H GLY A 82 3.377 1.151 -3.432 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.220 0.869 -5.724 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.051 2.174 -5.705 1.00 0.00 H new ATOM 1411 N SER A 83 6.336 3.223 -4.857 1.00 0.00 N ATOM 1412 CA SER A 83 7.281 4.080 -4.150 1.00 0.00 C ATOM 1413 C SER A 83 7.364 5.456 -4.802 1.00 0.00 C ATOM 1414 O SER A 83 6.817 5.677 -5.884 1.00 0.00 O ATOM 1415 CB SER A 83 8.666 3.432 -4.121 1.00 0.00 C ATOM 1416 OG SER A 83 8.601 2.110 -3.617 1.00 0.00 O ATOM 0 H SER A 83 6.316 3.361 -5.867 1.00 0.00 H new ATOM 0 HA SER A 83 6.924 4.205 -3.128 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.086 3.421 -5.127 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.337 4.028 -3.502 1.00 0.00 H new ATOM 0 HG SER A 83 9.499 1.718 -3.610 1.00 0.00 H new ATOM 1422 N HIS A 84 8.052 6.379 -4.139 1.00 0.00 N ATOM 1423 CA HIS A 84 8.210 7.735 -4.653 1.00 0.00 C ATOM 1424 C HIS A 84 8.904 7.726 -6.011 1.00 0.00 C ATOM 1425 O HIS A 84 8.691 8.616 -6.834 1.00 0.00 O ATOM 1426 CB HIS A 84 9.007 8.588 -3.664 1.00 0.00 C ATOM 1427 CG HIS A 84 8.477 9.979 -3.512 1.00 0.00 C ATOM 1428 ND1 HIS A 84 8.161 10.787 -4.584 1.00 0.00 N ATOM 1429 CD2 HIS A 84 8.209 10.709 -2.403 1.00 0.00 C ATOM 1430 CE1 HIS A 84 7.723 11.952 -4.143 1.00 0.00 C ATOM 1431 NE2 HIS A 84 7.741 11.930 -2.823 1.00 0.00 N ATOM 0 H HIS A 84 8.510 6.213 -3.243 1.00 0.00 H new ATOM 0 HA HIS A 84 7.217 8.167 -4.777 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.004 8.098 -2.690 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.045 8.637 -3.993 1.00 0.00 H new ATOM 0 HD2 HIS A 84 8.339 10.390 -1.379 1.00 0.00 H new ATOM 0 HE1 HIS A 84 7.404 12.781 -4.757 1.00 0.00 H new ATOM 0 HE2 HIS A 84 7.454 12.696 -2.214 1.00 0.00 H new ATOM 1440 N SER A 85 9.737 6.716 -6.239 1.00 0.00 N ATOM 1441 CA SER A 85 10.463 6.592 -7.498 1.00 0.00 C ATOM 1442 C SER A 85 9.641 5.829 -8.533 1.00 0.00 C ATOM 1443 O SER A 85 9.816 6.016 -9.737 1.00 0.00 O ATOM 1444 CB SER A 85 11.800 5.881 -7.271 1.00 0.00 C ATOM 1445 OG SER A 85 12.479 6.417 -6.149 1.00 0.00 O ATOM 0 H SER A 85 9.926 5.971 -5.568 1.00 0.00 H new ATOM 0 HA SER A 85 10.649 7.596 -7.879 1.00 0.00 H new ATOM 0 HB2 SER A 85 11.628 4.815 -7.121 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.424 5.981 -8.159 1.00 0.00 H new ATOM 0 HG SER A 85 13.329 5.945 -6.025 1.00 0.00 H new ATOM 1451 N GLU A 86 8.743 4.971 -8.057 1.00 0.00 N ATOM 1452 CA GLU A 86 7.897 4.181 -8.945 1.00 0.00 C ATOM 1453 C GLU A 86 6.714 5.005 -9.446 1.00 0.00 C ATOM 1454 O GLU A 86 6.646 5.361 -10.623 1.00 0.00 O ATOM 1455 CB GLU A 86 7.396 2.929 -8.223 1.00 0.00 C ATOM 1456 CG GLU A 86 7.486 1.666 -9.062 1.00 0.00 C ATOM 1457 CD GLU A 86 6.557 0.573 -8.572 1.00 0.00 C ATOM 1458 OE1 GLU A 86 5.426 0.897 -8.155 1.00 0.00 O ATOM 1459 OE2 GLU A 86 6.961 -0.609 -8.607 1.00 0.00 O ATOM 0 H GLU A 86 8.583 4.806 -7.063 1.00 0.00 H new ATOM 0 HA GLU A 86 8.495 3.880 -9.805 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.975 2.790 -7.310 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.359 3.083 -7.923 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.246 1.905 -10.098 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.512 1.298 -9.049 1.00 0.00 H new ATOM 1466 N LEU A 87 5.782 5.301 -8.546 1.00 0.00 N ATOM 1467 CA LEU A 87 4.601 6.080 -8.895 1.00 0.00 C ATOM 1468 C LEU A 87 4.968 7.535 -9.174 1.00 0.00 C ATOM 1469 O LEU A 87 4.415 8.164 -10.075 1.00 0.00 O ATOM 1470 CB LEU A 87 3.565 6.010 -7.771 1.00 0.00 C ATOM 1471 CG LEU A 87 3.235 4.597 -7.284 1.00 0.00 C ATOM 1472 CD1 LEU A 87 3.236 4.538 -5.763 1.00 0.00 C ATOM 1473 CD2 LEU A 87 1.889 4.143 -7.831 1.00 0.00 C ATOM 0 H LEU A 87 5.823 5.012 -7.569 1.00 0.00 H new ATOM 0 HA LEU A 87 4.173 5.653 -9.802 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.928 6.594 -6.925 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.645 6.484 -8.114 1.00 0.00 H new ATOM 0 HG LEU A 87 4.005 3.921 -7.655 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.999 3.525 -5.438 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.221 4.818 -5.389 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.489 5.229 -5.372 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.672 3.136 -7.474 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.109 4.825 -7.491 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.920 4.142 -8.921 1.00 0.00 H new ATOM 1485 N PHE A 88 5.905 8.061 -8.392 1.00 0.00 N ATOM 1486 CA PHE A 88 6.347 9.443 -8.555 1.00 0.00 C ATOM 1487 C PHE A 88 7.708 9.502 -9.238 1.00 0.00 C ATOM 1488 O PHE A 88 8.299 10.602 -9.283 1.00 0.00 O ATOM 1489 CB PHE A 88 6.413 10.142 -7.195 1.00 0.00 C ATOM 1490 CG PHE A 88 5.132 10.829 -6.810 1.00 0.00 C ATOM 1491 CD1 PHE A 88 4.699 11.952 -7.497 1.00 0.00 C ATOM 1492 CD2 PHE A 88 4.364 10.352 -5.760 1.00 0.00 C ATOM 1493 CE1 PHE A 88 3.522 12.586 -7.144 1.00 0.00 C ATOM 1494 CE2 PHE A 88 3.186 10.982 -5.402 1.00 0.00 C ATOM 1495 CZ PHE A 88 2.766 12.100 -6.096 1.00 0.00 C ATOM 1496 OXT PHE A 88 8.174 8.448 -9.722 1.00 0.00 O ATOM 0 H PHE A 88 6.372 7.554 -7.641 1.00 0.00 H new ATOM 0 HA PHE A 88 5.623 9.959 -9.186 1.00 0.00 H new ATOM 0 HB2 PHE A 88 6.666 9.408 -6.430 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.219 10.876 -7.211 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.287 12.336 -8.317 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.689 9.478 -5.215 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.195 13.460 -7.687 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.596 10.601 -4.582 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.846 12.594 -5.819 1.00 0.00 H new