USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 726 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 1 LEU N :NH3+ 151:sc= -2.91 (180deg=-4.31!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -131:sc= -0.415 USER MOD Single : A 9 SER OG : rot -37:sc= 0.267 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 158:sc= -0.0119 (180deg=-0.157) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 49:sc= 0.344 USER MOD Single : A 20 HIS : no HE2:sc= -16.6! C(o=-17!,f=-22!) USER MOD Single : A 21 ASN : amide:sc= -1.59! C(o=-1.6!,f=-1.9!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0183 USER MOD Single : A 41 SER OG : rot 66:sc= 0.288 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -119:sc= 0.248 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -4.42! USER MOD Single : A 58 THR OG1 : rot 171:sc= -4.81! USER MOD Single : A 59 SER OG : rot 180:sc= -0.0552 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot -1:sc= 0.856! USER MOD Single : A 72 ASN : amide:sc= -3.97! C(o=-4!,f=-10!) USER MOD Single : A 73 TYR OH : rot 77:sc= 2.02 USER MOD Single : A 74 LYS NZ :NH3+ -161:sc= -0.0731 (180deg=-0.653) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -1.14 K(o=-1.1,f=-4!) USER MOD Single : A 93 GLN : amide:sc= -1.64! C(o=-1.6!,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 19.304 4.105 1.897 1.00 0.00 N ATOM 2 CA LEU A 1 19.858 2.750 2.173 1.00 0.00 C ATOM 3 C LEU A 1 18.739 1.712 2.080 1.00 0.00 C ATOM 4 O LEU A 1 17.639 2.005 1.654 1.00 0.00 O ATOM 5 CB LEU A 1 20.462 2.725 3.578 1.00 0.00 C ATOM 6 CG LEU A 1 19.563 3.511 4.534 1.00 0.00 C ATOM 7 CD1 LEU A 1 18.324 2.679 4.871 1.00 0.00 C ATOM 8 CD2 LEU A 1 20.335 3.819 5.819 1.00 0.00 C ATOM 0 H1 LEU A 1 19.862 4.819 2.407 1.00 0.00 H new ATOM 0 H2 LEU A 1 19.348 4.296 0.876 1.00 0.00 H new ATOM 0 H3 LEU A 1 18.315 4.147 2.215 1.00 0.00 H new ATOM 0 HA LEU A 1 20.630 2.516 1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 1 20.566 1.696 3.923 1.00 0.00 H new ATOM 0 HB3 LEU A 1 21.462 3.158 3.563 1.00 0.00 H new ATOM 0 HG LEU A 1 19.256 4.443 4.060 1.00 0.00 H new ATOM 0 HD11 LEU A 1 17.684 3.239 5.552 1.00 0.00 H new ATOM 0 HD12 LEU A 1 17.775 2.458 3.956 1.00 0.00 H new ATOM 0 HD13 LEU A 1 18.630 1.746 5.345 1.00 0.00 H new ATOM 0 HD21 LEU A 1 19.696 4.379 6.502 1.00 0.00 H new ATOM 0 HD22 LEU A 1 20.641 2.886 6.292 1.00 0.00 H new ATOM 0 HD23 LEU A 1 21.218 4.412 5.580 1.00 0.00 H new ATOM 22 N LYS A 2 19.012 0.499 2.476 1.00 0.00 N ATOM 23 CA LYS A 2 17.966 -0.560 2.413 1.00 0.00 C ATOM 24 C LYS A 2 16.639 0.004 2.928 1.00 0.00 C ATOM 25 O LYS A 2 16.619 0.778 3.864 1.00 0.00 O ATOM 26 CB LYS A 2 18.388 -1.744 3.286 1.00 0.00 C ATOM 27 CG LYS A 2 19.130 -1.229 4.521 1.00 0.00 C ATOM 28 CD LYS A 2 19.230 -2.346 5.561 1.00 0.00 C ATOM 29 CE LYS A 2 20.560 -3.083 5.394 1.00 0.00 C ATOM 30 NZ LYS A 2 21.639 -2.325 6.087 1.00 0.00 N ATOM 0 H LYS A 2 19.915 0.196 2.841 1.00 0.00 H new ATOM 0 HA LYS A 2 17.845 -0.892 1.382 1.00 0.00 H new ATOM 0 HB2 LYS A 2 17.512 -2.317 3.588 1.00 0.00 H new ATOM 0 HB3 LYS A 2 19.029 -2.418 2.718 1.00 0.00 H new ATOM 0 HG2 LYS A 2 20.127 -0.887 4.243 1.00 0.00 H new ATOM 0 HG3 LYS A 2 18.605 -0.372 4.942 1.00 0.00 H new ATOM 0 HD2 LYS A 2 19.157 -1.929 6.566 1.00 0.00 H new ATOM 0 HD3 LYS A 2 18.399 -3.042 5.443 1.00 0.00 H new ATOM 0 HE2 LYS A 2 20.485 -4.089 5.807 1.00 0.00 H new ATOM 0 HE3 LYS A 2 20.798 -3.190 4.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 22.543 -2.826 5.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 21.716 -1.374 5.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 21.412 -2.245 7.099 1.00 0.00 H new ATOM 44 N PRO A 3 15.566 -0.434 2.322 1.00 0.00 N ATOM 45 CA PRO A 3 14.227 0.122 2.579 1.00 0.00 C ATOM 46 C PRO A 3 13.666 -0.422 3.895 1.00 0.00 C ATOM 47 O PRO A 3 13.304 -1.576 3.995 1.00 0.00 O ATOM 48 CB PRO A 3 13.399 -0.369 1.390 1.00 0.00 C ATOM 49 CG PRO A 3 14.129 -1.614 0.834 1.00 0.00 C ATOM 50 CD PRO A 3 15.587 -1.524 1.324 1.00 0.00 C ATOM 0 HA PRO A 3 14.225 1.208 2.674 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.385 -0.620 1.700 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.317 0.406 0.628 1.00 0.00 H new ATOM 0 HG2 PRO A 3 13.657 -2.530 1.188 1.00 0.00 H new ATOM 0 HG3 PRO A 3 14.087 -1.634 -0.255 1.00 0.00 H new ATOM 0 HD2 PRO A 3 15.917 -2.464 1.767 1.00 0.00 H new ATOM 0 HD3 PRO A 3 16.270 -1.301 0.504 1.00 0.00 H new ATOM 58 N LYS A 4 13.582 0.402 4.902 1.00 0.00 N ATOM 59 CA LYS A 4 13.031 -0.070 6.199 1.00 0.00 C ATOM 60 C LYS A 4 11.546 0.255 6.238 1.00 0.00 C ATOM 61 O LYS A 4 11.145 1.274 6.751 1.00 0.00 O ATOM 62 CB LYS A 4 13.748 0.636 7.353 1.00 0.00 C ATOM 63 CG LYS A 4 14.623 -0.372 8.103 1.00 0.00 C ATOM 64 CD LYS A 4 14.040 -0.621 9.495 1.00 0.00 C ATOM 65 CE LYS A 4 15.010 -1.479 10.308 1.00 0.00 C ATOM 66 NZ LYS A 4 14.633 -1.425 11.749 1.00 0.00 N ATOM 0 H LYS A 4 13.871 1.380 4.881 1.00 0.00 H new ATOM 0 HA LYS A 4 13.180 -1.145 6.300 1.00 0.00 H new ATOM 0 HB2 LYS A 4 14.361 1.452 6.970 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.019 1.077 8.033 1.00 0.00 H new ATOM 0 HG2 LYS A 4 14.676 -1.308 7.547 1.00 0.00 H new ATOM 0 HG3 LYS A 4 15.642 0.007 8.187 1.00 0.00 H new ATOM 0 HD2 LYS A 4 13.864 0.328 10.002 1.00 0.00 H new ATOM 0 HD3 LYS A 4 13.076 -1.122 9.413 1.00 0.00 H new ATOM 0 HE2 LYS A 4 14.986 -2.509 9.953 1.00 0.00 H new ATOM 0 HE3 LYS A 4 16.030 -1.119 10.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 15.292 -2.008 12.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 14.677 -0.441 12.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 13.666 -1.788 11.869 1.00 0.00 H new ATOM 80 N ILE A 5 10.726 -0.602 5.690 1.00 0.00 N ATOM 81 CA ILE A 5 9.262 -0.335 5.693 1.00 0.00 C ATOM 82 C ILE A 5 8.720 -0.577 7.097 1.00 0.00 C ATOM 83 O ILE A 5 8.711 -1.684 7.600 1.00 0.00 O ATOM 84 CB ILE A 5 8.575 -1.238 4.658 1.00 0.00 C ATOM 85 CG1 ILE A 5 7.254 -0.605 4.216 1.00 0.00 C ATOM 86 CG2 ILE A 5 8.302 -2.622 5.248 1.00 0.00 C ATOM 87 CD1 ILE A 5 7.229 -0.489 2.691 1.00 0.00 C ATOM 0 H ILE A 5 11.008 -1.474 5.242 1.00 0.00 H new ATOM 0 HA ILE A 5 9.060 0.700 5.419 1.00 0.00 H new ATOM 0 HB ILE A 5 9.237 -1.346 3.799 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.415 -1.211 4.559 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.141 0.380 4.668 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.815 -3.247 4.499 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.244 -3.082 5.548 1.00 0.00 H new ATOM 0 HG23 ILE A 5 7.652 -2.525 6.118 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.288 -0.038 2.376 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.059 0.135 2.360 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.322 -1.481 2.249 1.00 0.00 H new ATOM 99 N LEU A 6 8.305 0.472 7.747 1.00 0.00 N ATOM 100 CA LEU A 6 7.803 0.338 9.135 1.00 0.00 C ATOM 101 C LEU A 6 6.302 0.648 9.226 1.00 0.00 C ATOM 102 O LEU A 6 5.730 0.609 10.297 1.00 0.00 O ATOM 103 CB LEU A 6 8.608 1.272 10.051 1.00 0.00 C ATOM 104 CG LEU A 6 8.726 2.694 9.478 1.00 0.00 C ATOM 105 CD1 LEU A 6 9.861 2.728 8.453 1.00 0.00 C ATOM 106 CD2 LEU A 6 7.411 3.140 8.828 1.00 0.00 C ATOM 0 H LEU A 6 8.293 1.420 7.372 1.00 0.00 H new ATOM 0 HA LEU A 6 7.935 -0.695 9.457 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.131 1.316 11.030 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.606 0.859 10.200 1.00 0.00 H new ATOM 0 HG LEU A 6 8.943 3.385 10.293 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.950 3.734 8.042 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.797 2.449 8.937 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.646 2.025 7.648 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.525 4.149 8.432 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.157 2.458 8.017 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.615 3.130 9.573 1.00 0.00 H new ATOM 118 N THR A 7 5.660 0.951 8.124 1.00 0.00 N ATOM 119 CA THR A 7 4.192 1.251 8.170 1.00 0.00 C ATOM 120 C THR A 7 3.497 0.313 9.163 1.00 0.00 C ATOM 121 O THR A 7 4.008 -0.736 9.504 1.00 0.00 O ATOM 122 CB THR A 7 3.576 1.039 6.784 1.00 0.00 C ATOM 123 OG1 THR A 7 2.165 0.930 6.911 1.00 0.00 O ATOM 124 CG2 THR A 7 4.132 -0.243 6.159 1.00 0.00 C ATOM 0 H THR A 7 6.085 1.004 7.198 1.00 0.00 H new ATOM 0 HA THR A 7 4.057 2.286 8.483 1.00 0.00 H new ATOM 0 HB THR A 7 3.824 1.886 6.144 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.852 0.142 6.419 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.690 -0.389 5.173 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.215 -0.161 6.063 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.888 -1.094 6.795 1.00 0.00 H new ATOM 132 N ALA A 8 2.332 0.679 9.627 1.00 0.00 N ATOM 133 CA ALA A 8 1.604 -0.195 10.593 1.00 0.00 C ATOM 134 C ALA A 8 1.253 -1.516 9.919 1.00 0.00 C ATOM 135 O ALA A 8 1.779 -2.561 10.249 1.00 0.00 O ATOM 136 CB ALA A 8 0.321 0.504 11.047 1.00 0.00 C ATOM 0 H ALA A 8 1.853 1.545 9.379 1.00 0.00 H new ATOM 0 HA ALA A 8 2.238 -0.387 11.458 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -0.211 -0.134 11.753 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.572 1.448 11.530 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -0.314 0.697 10.182 1.00 0.00 H new ATOM 142 N SER A 9 0.376 -1.465 8.968 1.00 0.00 N ATOM 143 CA SER A 9 -0.023 -2.698 8.239 1.00 0.00 C ATOM 144 C SER A 9 -0.978 -3.536 9.093 1.00 0.00 C ATOM 145 O SER A 9 -0.725 -3.805 10.250 1.00 0.00 O ATOM 146 CB SER A 9 1.228 -3.505 7.923 1.00 0.00 C ATOM 147 OG SER A 9 1.183 -3.933 6.569 1.00 0.00 O ATOM 0 H SER A 9 -0.090 -0.613 8.657 1.00 0.00 H new ATOM 0 HA SER A 9 -0.535 -2.425 7.316 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.118 -2.900 8.095 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.295 -4.367 8.587 1.00 0.00 H new ATOM 0 HG SER A 9 0.261 -4.160 6.328 1.00 0.00 H new ATOM 153 N ARG A 10 -2.079 -3.946 8.522 1.00 0.00 N ATOM 154 CA ARG A 10 -3.066 -4.764 9.279 1.00 0.00 C ATOM 155 C ARG A 10 -4.327 -4.926 8.434 1.00 0.00 C ATOM 156 O ARG A 10 -4.461 -5.855 7.664 1.00 0.00 O ATOM 157 CB ARG A 10 -3.409 -4.051 10.586 1.00 0.00 C ATOM 158 CG ARG A 10 -2.641 -4.697 11.741 1.00 0.00 C ATOM 159 CD ARG A 10 -3.622 -5.110 12.840 1.00 0.00 C ATOM 160 NE ARG A 10 -2.874 -5.376 14.100 1.00 0.00 N ATOM 161 CZ ARG A 10 -2.995 -6.528 14.701 1.00 0.00 C ATOM 162 NH1 ARG A 10 -4.130 -6.861 15.252 1.00 0.00 N ATOM 163 NH2 ARG A 10 -1.981 -7.348 14.750 1.00 0.00 N ATOM 0 H ARG A 10 -2.337 -3.747 7.556 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.648 -5.746 9.502 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.154 -2.994 10.513 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.481 -4.108 10.772 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.091 -5.568 11.384 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.906 -3.997 12.139 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.357 -4.322 13.001 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.171 -6.001 12.536 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.267 -4.657 14.494 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.923 -6.221 15.213 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.224 -7.762 15.722 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.094 -7.088 14.319 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.076 -8.248 15.220 1.00 0.00 H new ATOM 177 N LYS A 11 -5.241 -4.015 8.567 1.00 0.00 N ATOM 178 CA LYS A 11 -6.497 -4.080 7.768 1.00 0.00 C ATOM 179 C LYS A 11 -7.039 -2.665 7.586 1.00 0.00 C ATOM 180 O LYS A 11 -6.410 -1.698 7.968 1.00 0.00 O ATOM 181 CB LYS A 11 -7.545 -4.930 8.489 1.00 0.00 C ATOM 182 CG LYS A 11 -6.930 -6.270 8.896 1.00 0.00 C ATOM 183 CD LYS A 11 -7.987 -7.125 9.597 1.00 0.00 C ATOM 184 CE LYS A 11 -8.109 -6.691 11.059 1.00 0.00 C ATOM 185 NZ LYS A 11 -9.543 -6.455 11.390 1.00 0.00 N ATOM 0 H LYS A 11 -5.175 -3.218 9.200 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.282 -4.533 6.800 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.910 -4.404 9.371 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.404 -5.096 7.838 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.551 -6.790 8.016 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.081 -6.106 9.560 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.948 -7.018 9.094 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.713 -8.179 9.541 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.696 -7.459 11.713 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.531 -5.782 11.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.626 -6.160 12.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.923 -5.708 10.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.082 -7.332 11.243 1.00 0.00 H new ATOM 199 N ILE A 12 -8.197 -2.527 7.004 1.00 0.00 N ATOM 200 CA ILE A 12 -8.754 -1.163 6.805 1.00 0.00 C ATOM 201 C ILE A 12 -10.282 -1.213 6.725 1.00 0.00 C ATOM 202 O ILE A 12 -10.859 -2.129 6.175 1.00 0.00 O ATOM 203 CB ILE A 12 -8.202 -0.583 5.505 1.00 0.00 C ATOM 204 CG1 ILE A 12 -6.707 -0.294 5.665 1.00 0.00 C ATOM 205 CG2 ILE A 12 -8.944 0.708 5.175 1.00 0.00 C ATOM 206 CD1 ILE A 12 -6.499 0.753 6.760 1.00 0.00 C ATOM 0 H ILE A 12 -8.777 -3.293 6.661 1.00 0.00 H new ATOM 0 HA ILE A 12 -8.467 -0.537 7.650 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.342 -1.300 4.696 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.175 -1.211 5.919 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.293 0.064 4.722 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.553 1.126 4.247 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -10.007 0.497 5.058 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.803 1.425 5.983 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.434 0.956 6.871 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.017 1.672 6.488 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.897 0.378 7.703 1.00 0.00 H new ATOM 218 N LYS A 13 -10.938 -0.217 7.260 1.00 0.00 N ATOM 219 CA LYS A 13 -12.425 -0.176 7.208 1.00 0.00 C ATOM 220 C LYS A 13 -12.846 0.979 6.296 1.00 0.00 C ATOM 221 O LYS A 13 -12.955 2.112 6.721 1.00 0.00 O ATOM 222 CB LYS A 13 -12.975 0.053 8.618 1.00 0.00 C ATOM 223 CG LYS A 13 -12.231 1.217 9.276 1.00 0.00 C ATOM 224 CD LYS A 13 -11.021 0.681 10.043 1.00 0.00 C ATOM 225 CE LYS A 13 -11.115 1.109 11.509 1.00 0.00 C ATOM 226 NZ LYS A 13 -12.269 0.421 12.154 1.00 0.00 N ATOM 0 H LYS A 13 -10.502 0.574 7.734 1.00 0.00 H new ATOM 0 HA LYS A 13 -12.816 -1.117 6.821 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -14.042 0.270 8.572 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -12.859 -0.851 9.216 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.908 1.931 8.518 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.897 1.751 9.954 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.985 -0.406 9.972 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.100 1.060 9.601 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.191 0.860 12.032 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.238 2.190 11.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -12.129 0.400 13.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.146 0.934 11.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.338 -0.552 11.794 1.00 0.00 H new ATOM 240 N ILE A 14 -13.057 0.707 5.037 1.00 0.00 N ATOM 241 CA ILE A 14 -13.439 1.796 4.093 1.00 0.00 C ATOM 242 C ILE A 14 -14.917 1.679 3.704 1.00 0.00 C ATOM 243 O ILE A 14 -15.273 0.956 2.798 1.00 0.00 O ATOM 244 CB ILE A 14 -12.574 1.687 2.836 1.00 0.00 C ATOM 245 CG1 ILE A 14 -11.169 1.222 3.225 1.00 0.00 C ATOM 246 CG2 ILE A 14 -12.496 3.050 2.142 1.00 0.00 C ATOM 247 CD1 ILE A 14 -10.211 1.429 2.049 1.00 0.00 C ATOM 0 H ILE A 14 -12.982 -0.221 4.621 1.00 0.00 H new ATOM 0 HA ILE A 14 -13.283 2.759 4.578 1.00 0.00 H new ATOM 0 HB ILE A 14 -13.018 0.964 2.151 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -10.819 1.779 4.094 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -11.190 0.170 3.509 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -11.879 2.968 1.247 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -13.499 3.374 1.863 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -12.055 3.779 2.821 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -9.212 1.097 2.331 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -10.557 0.852 1.192 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -10.181 2.486 1.786 1.00 0.00 H new ATOM 259 N LYS A 15 -15.779 2.401 4.367 1.00 0.00 N ATOM 260 CA LYS A 15 -17.227 2.338 4.012 1.00 0.00 C ATOM 261 C LYS A 15 -17.363 2.403 2.487 1.00 0.00 C ATOM 262 O LYS A 15 -16.464 2.843 1.797 1.00 0.00 O ATOM 263 CB LYS A 15 -17.963 3.522 4.646 1.00 0.00 C ATOM 264 CG LYS A 15 -17.017 4.719 4.743 1.00 0.00 C ATOM 265 CD LYS A 15 -16.553 4.889 6.191 1.00 0.00 C ATOM 266 CE LYS A 15 -17.743 5.290 7.064 1.00 0.00 C ATOM 267 NZ LYS A 15 -17.303 5.401 8.484 1.00 0.00 N ATOM 0 H LYS A 15 -15.546 3.029 5.136 1.00 0.00 H new ATOM 0 HA LYS A 15 -17.661 1.410 4.384 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.836 3.783 4.048 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -18.325 3.250 5.638 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -16.157 4.570 4.090 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -17.522 5.623 4.404 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.118 3.959 6.556 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.774 5.649 6.248 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -18.153 6.241 6.724 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -18.538 4.550 6.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -18.112 5.674 9.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.931 4.484 8.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.558 6.123 8.561 1.00 0.00 H new ATOM 281 N ALA A 16 -18.468 1.963 1.947 1.00 0.00 N ATOM 282 CA ALA A 16 -18.630 1.999 0.464 1.00 0.00 C ATOM 283 C ALA A 16 -18.881 3.435 -0.001 1.00 0.00 C ATOM 284 O ALA A 16 -19.554 4.206 0.653 1.00 0.00 O ATOM 285 CB ALA A 16 -19.810 1.125 0.047 1.00 0.00 C ATOM 0 H ALA A 16 -19.261 1.583 2.464 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.716 1.622 0.004 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -19.921 1.157 -1.037 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.631 0.097 0.363 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.721 1.496 0.516 1.00 0.00 H new ATOM 291 N GLY A 17 -18.348 3.791 -1.135 1.00 0.00 N ATOM 292 CA GLY A 17 -18.544 5.169 -1.667 1.00 0.00 C ATOM 293 C GLY A 17 -17.762 6.180 -0.820 1.00 0.00 C ATOM 294 O GLY A 17 -18.303 7.175 -0.381 1.00 0.00 O ATOM 0 H GLY A 17 -17.779 3.181 -1.722 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -18.211 5.217 -2.704 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -19.604 5.422 -1.661 1.00 0.00 H new ATOM 298 N PHE A 18 -16.494 5.945 -0.583 1.00 0.00 N ATOM 299 CA PHE A 18 -15.714 6.926 0.243 1.00 0.00 C ATOM 300 C PHE A 18 -14.307 7.132 -0.325 1.00 0.00 C ATOM 301 O PHE A 18 -13.834 6.377 -1.152 1.00 0.00 O ATOM 302 CB PHE A 18 -15.596 6.416 1.679 1.00 0.00 C ATOM 303 CG PHE A 18 -16.930 6.543 2.363 1.00 0.00 C ATOM 304 CD1 PHE A 18 -17.918 5.591 2.123 1.00 0.00 C ATOM 305 CD2 PHE A 18 -17.180 7.612 3.233 1.00 0.00 C ATOM 306 CE1 PHE A 18 -19.165 5.699 2.751 1.00 0.00 C ATOM 307 CE2 PHE A 18 -18.426 7.723 3.862 1.00 0.00 C ATOM 308 CZ PHE A 18 -19.419 6.766 3.621 1.00 0.00 C ATOM 0 H PHE A 18 -15.972 5.135 -0.917 1.00 0.00 H new ATOM 0 HA PHE A 18 -16.246 7.877 0.223 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.270 5.376 1.682 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -14.841 6.988 2.219 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -17.722 4.768 1.451 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -16.413 8.349 3.418 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -19.930 4.960 2.564 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -18.621 8.547 4.533 1.00 0.00 H new ATOM 0 HZ PHE A 18 -20.380 6.851 4.106 1.00 0.00 H new ATOM 318 N THR A 19 -13.636 8.162 0.132 1.00 0.00 N ATOM 319 CA THR A 19 -12.255 8.446 -0.350 1.00 0.00 C ATOM 320 C THR A 19 -11.243 8.043 0.730 1.00 0.00 C ATOM 321 O THR A 19 -10.975 8.787 1.653 1.00 0.00 O ATOM 322 CB THR A 19 -12.122 9.937 -0.651 1.00 0.00 C ATOM 323 OG1 THR A 19 -12.658 10.689 0.429 1.00 0.00 O ATOM 324 CG2 THR A 19 -12.892 10.255 -1.932 1.00 0.00 C ATOM 0 H THR A 19 -13.992 8.821 0.824 1.00 0.00 H new ATOM 0 HA THR A 19 -12.058 7.875 -1.257 1.00 0.00 H new ATOM 0 HB THR A 19 -11.071 10.197 -0.780 1.00 0.00 H new ATOM 0 HG1 THR A 19 -12.291 10.355 1.274 1.00 0.00 H new ATOM 0 HG21 THR A 19 -12.803 11.318 -2.156 1.00 0.00 H new ATOM 0 HG22 THR A 19 -12.480 9.675 -2.758 1.00 0.00 H new ATOM 0 HG23 THR A 19 -13.943 9.999 -1.798 1.00 0.00 H new ATOM 332 N HIS A 20 -10.686 6.866 0.625 1.00 0.00 N ATOM 333 CA HIS A 20 -9.698 6.397 1.643 1.00 0.00 C ATOM 334 C HIS A 20 -8.339 7.057 1.401 1.00 0.00 C ATOM 335 O HIS A 20 -8.166 7.783 0.449 1.00 0.00 O ATOM 336 CB HIS A 20 -9.538 4.883 1.513 1.00 0.00 C ATOM 337 CG HIS A 20 -9.346 4.284 2.873 1.00 0.00 C ATOM 338 ND1 HIS A 20 -10.352 4.287 3.822 1.00 0.00 N ATOM 339 CD2 HIS A 20 -8.272 3.662 3.460 1.00 0.00 C ATOM 340 CE1 HIS A 20 -9.872 3.685 4.921 1.00 0.00 C ATOM 341 NE2 HIS A 20 -8.606 3.288 4.757 1.00 0.00 N ATOM 0 H HIS A 20 -10.874 6.204 -0.128 1.00 0.00 H new ATOM 0 HA HIS A 20 -10.055 6.661 2.638 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -10.418 4.453 1.035 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -8.684 4.650 0.877 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -11.288 4.676 3.707 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -7.316 3.490 2.988 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -10.440 3.539 5.828 1.00 0.00 H new ATOM 349 N ASN A 21 -7.371 6.784 2.247 1.00 0.00 N ATOM 350 CA ASN A 21 -6.006 7.370 2.056 1.00 0.00 C ATOM 351 C ASN A 21 -4.961 6.466 2.713 1.00 0.00 C ATOM 352 O ASN A 21 -4.416 6.758 3.759 1.00 0.00 O ATOM 353 CB ASN A 21 -5.934 8.788 2.635 1.00 0.00 C ATOM 354 CG ASN A 21 -5.958 8.733 4.164 1.00 0.00 C ATOM 355 OD1 ASN A 21 -4.970 9.022 4.809 1.00 0.00 O ATOM 356 ND2 ASN A 21 -7.052 8.369 4.776 1.00 0.00 N ATOM 0 H ASN A 21 -7.469 6.179 3.063 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.799 7.436 0.988 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.024 9.282 2.295 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.773 9.381 2.271 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.077 8.327 5.795 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.882 8.126 4.235 1.00 0.00 H new ATOM 363 N LEU A 22 -4.680 5.366 2.078 1.00 0.00 N ATOM 364 CA LEU A 22 -3.673 4.406 2.605 1.00 0.00 C ATOM 365 C LEU A 22 -2.367 5.136 2.923 1.00 0.00 C ATOM 366 O LEU A 22 -1.902 5.956 2.154 1.00 0.00 O ATOM 367 CB LEU A 22 -3.406 3.366 1.525 1.00 0.00 C ATOM 368 CG LEU A 22 -2.571 2.226 2.085 1.00 0.00 C ATOM 369 CD1 LEU A 22 -2.997 0.927 1.406 1.00 0.00 C ATOM 370 CD2 LEU A 22 -1.097 2.495 1.785 1.00 0.00 C ATOM 0 H LEU A 22 -5.114 5.086 1.199 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.048 3.938 3.515 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.350 2.980 1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.886 3.828 0.686 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.716 2.146 3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.405 0.100 1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.053 0.743 1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.837 1.009 0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.490 1.682 2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.951 2.562 0.707 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.796 3.434 2.251 1.00 0.00 H new ATOM 382 N GLU A 23 -1.764 4.834 4.042 1.00 0.00 N ATOM 383 CA GLU A 23 -0.483 5.505 4.404 1.00 0.00 C ATOM 384 C GLU A 23 0.582 4.450 4.723 1.00 0.00 C ATOM 385 O GLU A 23 0.335 3.498 5.435 1.00 0.00 O ATOM 386 CB GLU A 23 -0.703 6.392 5.631 1.00 0.00 C ATOM 387 CG GLU A 23 -1.112 7.795 5.179 1.00 0.00 C ATOM 388 CD GLU A 23 -2.093 8.392 6.191 1.00 0.00 C ATOM 389 OE1 GLU A 23 -2.703 7.625 6.917 1.00 0.00 O ATOM 390 OE2 GLU A 23 -2.217 9.605 6.221 1.00 0.00 O ATOM 0 H GLU A 23 -2.103 4.152 4.720 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.146 6.115 3.566 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.476 5.964 6.269 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.209 6.441 6.226 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.231 8.431 5.091 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.573 7.751 4.192 1.00 0.00 H new ATOM 397 N VAL A 24 1.767 4.621 4.203 1.00 0.00 N ATOM 398 CA VAL A 24 2.859 3.641 4.475 1.00 0.00 C ATOM 399 C VAL A 24 4.198 4.385 4.483 1.00 0.00 C ATOM 400 O VAL A 24 4.312 5.475 3.958 1.00 0.00 O ATOM 401 CB VAL A 24 2.858 2.556 3.386 1.00 0.00 C ATOM 402 CG1 VAL A 24 4.255 1.940 3.241 1.00 0.00 C ATOM 403 CG2 VAL A 24 1.870 1.456 3.774 1.00 0.00 C ATOM 0 H VAL A 24 2.028 5.400 3.599 1.00 0.00 H new ATOM 0 HA VAL A 24 2.704 3.164 5.443 1.00 0.00 H new ATOM 0 HB VAL A 24 2.568 3.010 2.438 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.236 1.174 2.466 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.968 2.717 2.966 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.555 1.491 4.188 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.865 0.684 3.005 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.169 1.018 4.726 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.871 1.881 3.868 1.00 0.00 H new ATOM 413 N ASP A 25 5.212 3.809 5.071 1.00 0.00 N ATOM 414 CA ASP A 25 6.528 4.497 5.104 1.00 0.00 C ATOM 415 C ASP A 25 7.659 3.475 5.157 1.00 0.00 C ATOM 416 O ASP A 25 7.553 2.446 5.793 1.00 0.00 O ATOM 417 CB ASP A 25 6.598 5.406 6.332 1.00 0.00 C ATOM 418 CG ASP A 25 7.997 6.016 6.438 1.00 0.00 C ATOM 419 OD1 ASP A 25 8.895 5.317 6.877 1.00 0.00 O ATOM 420 OD2 ASP A 25 8.147 7.173 6.079 1.00 0.00 O ATOM 0 H ASP A 25 5.184 2.897 5.527 1.00 0.00 H new ATOM 0 HA ASP A 25 6.638 5.095 4.199 1.00 0.00 H new ATOM 0 HB2 ASP A 25 5.850 6.196 6.256 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.369 4.836 7.233 1.00 0.00 H new ATOM 425 N PHE A 26 8.751 3.759 4.498 1.00 0.00 N ATOM 426 CA PHE A 26 9.899 2.811 4.520 1.00 0.00 C ATOM 427 C PHE A 26 11.185 3.578 4.191 1.00 0.00 C ATOM 428 O PHE A 26 11.235 4.350 3.255 1.00 0.00 O ATOM 429 CB PHE A 26 9.675 1.687 3.496 1.00 0.00 C ATOM 430 CG PHE A 26 9.585 2.238 2.095 1.00 0.00 C ATOM 431 CD1 PHE A 26 10.746 2.392 1.328 1.00 0.00 C ATOM 432 CD2 PHE A 26 8.336 2.569 1.552 1.00 0.00 C ATOM 433 CE1 PHE A 26 10.658 2.880 0.020 1.00 0.00 C ATOM 434 CE2 PHE A 26 8.250 3.053 0.243 1.00 0.00 C ATOM 435 CZ PHE A 26 9.410 3.209 -0.523 1.00 0.00 C ATOM 0 H PHE A 26 8.896 4.605 3.947 1.00 0.00 H new ATOM 0 HA PHE A 26 9.985 2.363 5.510 1.00 0.00 H new ATOM 0 HB2 PHE A 26 10.493 0.969 3.556 1.00 0.00 H new ATOM 0 HB3 PHE A 26 8.759 1.148 3.738 1.00 0.00 H new ATOM 0 HD1 PHE A 26 11.708 2.134 1.746 1.00 0.00 H new ATOM 0 HD2 PHE A 26 7.441 2.450 2.144 1.00 0.00 H new ATOM 0 HE1 PHE A 26 11.553 3.003 -0.571 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.288 3.306 -0.177 1.00 0.00 H new ATOM 0 HZ PHE A 26 9.343 3.583 -1.534 1.00 0.00 H new ATOM 445 N ILE A 27 12.220 3.391 4.966 1.00 0.00 N ATOM 446 CA ILE A 27 13.492 4.135 4.709 1.00 0.00 C ATOM 447 C ILE A 27 14.303 3.453 3.602 1.00 0.00 C ATOM 448 O ILE A 27 15.141 2.612 3.859 1.00 0.00 O ATOM 449 CB ILE A 27 14.316 4.184 5.999 1.00 0.00 C ATOM 450 CG1 ILE A 27 13.704 5.213 6.949 1.00 0.00 C ATOM 451 CG2 ILE A 27 15.759 4.588 5.683 1.00 0.00 C ATOM 452 CD1 ILE A 27 12.220 4.907 7.156 1.00 0.00 C ATOM 0 H ILE A 27 12.242 2.757 5.765 1.00 0.00 H new ATOM 0 HA ILE A 27 13.251 5.147 4.385 1.00 0.00 H new ATOM 0 HB ILE A 27 14.312 3.198 6.464 1.00 0.00 H new ATOM 0 HG12 ILE A 27 14.226 5.194 7.906 1.00 0.00 H new ATOM 0 HG13 ILE A 27 13.825 6.216 6.540 1.00 0.00 H new ATOM 0 HG21 ILE A 27 16.338 4.620 6.606 1.00 0.00 H new ATOM 0 HG22 ILE A 27 16.200 3.859 5.003 1.00 0.00 H new ATOM 0 HG23 ILE A 27 15.767 5.572 5.215 1.00 0.00 H new ATOM 0 HD11 ILE A 27 11.788 5.643 7.834 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.703 4.949 6.197 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.110 3.911 7.584 1.00 0.00 H new ATOM 464 N GLY A 28 14.077 3.827 2.374 1.00 0.00 N ATOM 465 CA GLY A 28 14.846 3.214 1.254 1.00 0.00 C ATOM 466 C GLY A 28 15.551 4.316 0.457 1.00 0.00 C ATOM 467 O GLY A 28 15.059 5.421 0.341 1.00 0.00 O ATOM 0 H GLY A 28 13.393 4.531 2.097 1.00 0.00 H new ATOM 0 HA2 GLY A 28 15.578 2.508 1.645 1.00 0.00 H new ATOM 0 HA3 GLY A 28 14.176 2.651 0.604 1.00 0.00 H new ATOM 471 N ALA A 29 16.699 4.026 -0.095 1.00 0.00 N ATOM 472 CA ALA A 29 17.427 5.061 -0.885 1.00 0.00 C ATOM 473 C ALA A 29 18.751 4.479 -1.394 1.00 0.00 C ATOM 474 O ALA A 29 19.107 3.370 -1.050 1.00 0.00 O ATOM 475 CB ALA A 29 17.691 6.275 0.001 1.00 0.00 C ATOM 0 H ALA A 29 17.163 3.120 -0.033 1.00 0.00 H new ATOM 0 HA ALA A 29 16.824 5.366 -1.740 1.00 0.00 H new ATOM 0 HB1 ALA A 29 18.223 7.035 -0.572 1.00 0.00 H new ATOM 0 HB2 ALA A 29 16.743 6.683 0.352 1.00 0.00 H new ATOM 0 HB3 ALA A 29 18.296 5.976 0.857 1.00 0.00 H new ATOM 481 N PRO A 30 19.432 5.234 -2.224 1.00 0.00 N ATOM 482 CA PRO A 30 19.000 6.585 -2.643 1.00 0.00 C ATOM 483 C PRO A 30 17.802 6.511 -3.590 1.00 0.00 C ATOM 484 O PRO A 30 17.311 7.517 -4.062 1.00 0.00 O ATOM 485 CB PRO A 30 20.235 7.158 -3.344 1.00 0.00 C ATOM 486 CG PRO A 30 21.096 5.947 -3.770 1.00 0.00 C ATOM 487 CD PRO A 30 20.695 4.785 -2.843 1.00 0.00 C ATOM 0 HA PRO A 30 18.669 7.203 -1.808 1.00 0.00 H new ATOM 0 HB2 PRO A 30 19.948 7.754 -4.210 1.00 0.00 H new ATOM 0 HB3 PRO A 30 20.792 7.814 -2.675 1.00 0.00 H new ATOM 0 HG2 PRO A 30 20.917 5.691 -4.814 1.00 0.00 H new ATOM 0 HG3 PRO A 30 22.158 6.172 -3.674 1.00 0.00 H new ATOM 0 HD2 PRO A 30 20.557 3.859 -3.402 1.00 0.00 H new ATOM 0 HD3 PRO A 30 21.461 4.593 -2.091 1.00 0.00 H new ATOM 495 N ASP A 31 17.316 5.333 -3.862 1.00 0.00 N ATOM 496 CA ASP A 31 16.142 5.209 -4.764 1.00 0.00 C ATOM 497 C ASP A 31 15.652 3.757 -4.760 1.00 0.00 C ATOM 498 O ASP A 31 16.062 2.963 -5.584 1.00 0.00 O ATOM 499 CB ASP A 31 16.540 5.613 -6.185 1.00 0.00 C ATOM 500 CG ASP A 31 15.662 6.775 -6.652 1.00 0.00 C ATOM 501 OD1 ASP A 31 14.581 6.931 -6.107 1.00 0.00 O ATOM 502 OD2 ASP A 31 16.084 7.489 -7.546 1.00 0.00 O ATOM 0 H ASP A 31 17.681 4.453 -3.499 1.00 0.00 H new ATOM 0 HA ASP A 31 15.344 5.864 -4.415 1.00 0.00 H new ATOM 0 HB2 ASP A 31 17.590 5.904 -6.211 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.428 4.765 -6.860 1.00 0.00 H new ATOM 507 N PRO A 32 14.792 3.454 -3.821 1.00 0.00 N ATOM 508 CA PRO A 32 14.226 2.103 -3.664 1.00 0.00 C ATOM 509 C PRO A 32 13.084 1.876 -4.656 1.00 0.00 C ATOM 510 O PRO A 32 12.833 2.681 -5.531 1.00 0.00 O ATOM 511 CB PRO A 32 13.679 2.111 -2.235 1.00 0.00 C ATOM 512 CG PRO A 32 13.430 3.594 -1.875 1.00 0.00 C ATOM 513 CD PRO A 32 14.305 4.431 -2.826 1.00 0.00 C ATOM 0 HA PRO A 32 14.958 1.316 -3.846 1.00 0.00 H new ATOM 0 HB2 PRO A 32 12.756 1.534 -2.168 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.389 1.657 -1.544 1.00 0.00 H new ATOM 0 HG2 PRO A 32 12.377 3.849 -1.992 1.00 0.00 H new ATOM 0 HG3 PRO A 32 13.692 3.789 -0.835 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.731 5.228 -3.298 1.00 0.00 H new ATOM 0 HD3 PRO A 32 15.131 4.904 -2.295 1.00 0.00 H new ATOM 521 N THR A 33 12.382 0.787 -4.509 1.00 0.00 N ATOM 522 CA THR A 33 11.240 0.500 -5.419 1.00 0.00 C ATOM 523 C THR A 33 10.053 0.036 -4.574 1.00 0.00 C ATOM 524 O THR A 33 10.226 -0.585 -3.548 1.00 0.00 O ATOM 525 CB THR A 33 11.632 -0.604 -6.405 1.00 0.00 C ATOM 526 OG1 THR A 33 12.748 -0.177 -7.172 1.00 0.00 O ATOM 527 CG2 THR A 33 10.454 -0.902 -7.334 1.00 0.00 C ATOM 0 H THR A 33 12.552 0.080 -3.793 1.00 0.00 H new ATOM 0 HA THR A 33 10.974 1.396 -5.980 1.00 0.00 H new ATOM 0 HB THR A 33 11.894 -1.508 -5.855 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.001 -0.883 -7.802 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.734 -1.688 -8.036 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.599 -1.230 -6.743 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.189 -0.000 -7.886 1.00 0.00 H new ATOM 535 N ALA A 34 8.852 0.332 -4.982 1.00 0.00 N ATOM 536 CA ALA A 34 7.677 -0.102 -4.174 1.00 0.00 C ATOM 537 C ALA A 34 6.526 -0.490 -5.102 1.00 0.00 C ATOM 538 O ALA A 34 6.084 0.291 -5.922 1.00 0.00 O ATOM 539 CB ALA A 34 7.234 1.040 -3.257 1.00 0.00 C ATOM 0 H ALA A 34 8.632 0.851 -5.832 1.00 0.00 H new ATOM 0 HA ALA A 34 7.957 -0.964 -3.569 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.375 0.721 -2.667 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.053 1.309 -2.589 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.959 1.905 -3.860 1.00 0.00 H new ATOM 545 N THR A 35 6.036 -1.693 -4.977 1.00 0.00 N ATOM 546 CA THR A 35 4.912 -2.135 -5.847 1.00 0.00 C ATOM 547 C THR A 35 3.652 -2.301 -4.998 1.00 0.00 C ATOM 548 O THR A 35 3.629 -3.055 -4.044 1.00 0.00 O ATOM 549 CB THR A 35 5.268 -3.472 -6.501 1.00 0.00 C ATOM 550 OG1 THR A 35 6.536 -3.366 -7.131 1.00 0.00 O ATOM 551 CG2 THR A 35 4.207 -3.832 -7.541 1.00 0.00 C ATOM 0 H THR A 35 6.367 -2.389 -4.309 1.00 0.00 H new ATOM 0 HA THR A 35 4.734 -1.390 -6.622 1.00 0.00 H new ATOM 0 HB THR A 35 5.305 -4.251 -5.740 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.766 -4.222 -7.549 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.462 -4.784 -8.006 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.235 -3.914 -7.055 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.167 -3.055 -8.304 1.00 0.00 H new ATOM 559 N TRP A 36 2.602 -1.603 -5.336 1.00 0.00 N ATOM 560 CA TRP A 36 1.344 -1.721 -4.549 1.00 0.00 C ATOM 561 C TRP A 36 0.491 -2.861 -5.125 1.00 0.00 C ATOM 562 O TRP A 36 -0.109 -2.749 -6.187 1.00 0.00 O ATOM 563 CB TRP A 36 0.575 -0.398 -4.617 1.00 0.00 C ATOM 564 CG TRP A 36 1.024 0.501 -3.502 1.00 0.00 C ATOM 565 CD1 TRP A 36 1.736 1.644 -3.656 1.00 0.00 C ATOM 566 CD2 TRP A 36 0.814 0.350 -2.067 1.00 0.00 C ATOM 567 NE1 TRP A 36 1.959 2.205 -2.415 1.00 0.00 N ATOM 568 CE2 TRP A 36 1.415 1.446 -1.404 1.00 0.00 C ATOM 569 CE3 TRP A 36 0.165 -0.617 -1.285 1.00 0.00 C ATOM 570 CZ2 TRP A 36 1.373 1.574 -0.016 1.00 0.00 C ATOM 571 CZ3 TRP A 36 0.125 -0.492 0.111 1.00 0.00 C ATOM 572 CH2 TRP A 36 0.726 0.599 0.743 1.00 0.00 C ATOM 0 H TRP A 36 2.562 -0.956 -6.124 1.00 0.00 H new ATOM 0 HA TRP A 36 1.577 -1.942 -3.507 1.00 0.00 H new ATOM 0 HB2 TRP A 36 0.746 0.085 -5.579 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.496 -0.584 -4.540 1.00 0.00 H new ATOM 0 HD1 TRP A 36 2.074 2.050 -4.598 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.466 3.077 -2.265 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.307 -1.464 -1.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.838 2.421 0.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.374 -1.245 0.702 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.690 0.688 1.819 1.00 0.00 H new ATOM 583 N THR A 37 0.440 -3.970 -4.439 1.00 0.00 N ATOM 584 CA THR A 37 -0.361 -5.112 -4.949 1.00 0.00 C ATOM 585 C THR A 37 -1.695 -5.180 -4.220 1.00 0.00 C ATOM 586 O THR A 37 -1.983 -4.397 -3.335 1.00 0.00 O ATOM 587 CB THR A 37 0.400 -6.427 -4.754 1.00 0.00 C ATOM 588 OG1 THR A 37 1.517 -6.205 -3.904 1.00 0.00 O ATOM 589 CG2 THR A 37 0.882 -6.948 -6.109 1.00 0.00 C ATOM 0 H THR A 37 0.917 -4.132 -3.552 1.00 0.00 H new ATOM 0 HA THR A 37 -0.540 -4.962 -6.014 1.00 0.00 H new ATOM 0 HB THR A 37 -0.261 -7.165 -4.300 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.004 -7.046 -3.777 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.423 -7.884 -5.968 1.00 0.00 H new ATOM 0 HG22 THR A 37 0.024 -7.120 -6.759 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.543 -6.212 -6.567 1.00 0.00 H new ATOM 597 N VAL A 38 -2.524 -6.098 -4.615 1.00 0.00 N ATOM 598 CA VAL A 38 -3.861 -6.209 -3.991 1.00 0.00 C ATOM 599 C VAL A 38 -4.127 -7.657 -3.556 1.00 0.00 C ATOM 600 O VAL A 38 -5.148 -8.235 -3.872 1.00 0.00 O ATOM 601 CB VAL A 38 -4.877 -5.759 -5.037 1.00 0.00 C ATOM 602 CG1 VAL A 38 -5.120 -6.881 -6.036 1.00 0.00 C ATOM 603 CG2 VAL A 38 -6.185 -5.379 -4.369 1.00 0.00 C ATOM 0 H VAL A 38 -2.330 -6.780 -5.348 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.931 -5.588 -3.098 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.480 -4.889 -5.560 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.846 -6.554 -6.780 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.183 -7.137 -6.531 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.505 -7.757 -5.513 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.901 -5.060 -5.126 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.583 -6.240 -3.833 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.012 -4.563 -3.667 1.00 0.00 H new ATOM 613 N GLY A 39 -3.219 -8.233 -2.815 1.00 0.00 N ATOM 614 CA GLY A 39 -3.408 -9.634 -2.335 1.00 0.00 C ATOM 615 C GLY A 39 -4.029 -10.492 -3.439 1.00 0.00 C ATOM 616 O GLY A 39 -3.734 -10.326 -4.605 1.00 0.00 O ATOM 0 H GLY A 39 -2.349 -7.791 -2.519 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.449 -10.055 -2.033 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.050 -9.641 -1.454 1.00 0.00 H new ATOM 620 N ASP A 40 -4.891 -11.404 -3.072 1.00 0.00 N ATOM 621 CA ASP A 40 -5.544 -12.281 -4.082 1.00 0.00 C ATOM 622 C ASP A 40 -4.577 -13.390 -4.507 1.00 0.00 C ATOM 623 O ASP A 40 -4.728 -14.535 -4.130 1.00 0.00 O ATOM 624 CB ASP A 40 -5.937 -11.437 -5.290 1.00 0.00 C ATOM 625 CG ASP A 40 -7.248 -11.961 -5.880 1.00 0.00 C ATOM 626 OD1 ASP A 40 -7.334 -13.156 -6.112 1.00 0.00 O ATOM 627 OD2 ASP A 40 -8.142 -11.159 -6.089 1.00 0.00 O ATOM 0 H ASP A 40 -5.171 -11.578 -2.107 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.435 -12.740 -3.653 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.051 -10.394 -4.995 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.149 -11.472 -6.042 1.00 0.00 H new ATOM 632 N SER A 41 -3.584 -13.060 -5.285 1.00 0.00 N ATOM 633 CA SER A 41 -2.609 -14.084 -5.732 1.00 0.00 C ATOM 634 C SER A 41 -1.643 -13.445 -6.728 1.00 0.00 C ATOM 635 O SER A 41 -1.267 -14.041 -7.717 1.00 0.00 O ATOM 636 CB SER A 41 -3.353 -15.235 -6.404 1.00 0.00 C ATOM 637 OG SER A 41 -3.238 -16.402 -5.602 1.00 0.00 O ATOM 0 H SER A 41 -3.408 -12.117 -5.631 1.00 0.00 H new ATOM 0 HA SER A 41 -2.054 -14.468 -4.876 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.403 -14.975 -6.539 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.940 -15.420 -7.396 1.00 0.00 H new ATOM 0 HG SER A 41 -3.714 -16.266 -4.756 1.00 0.00 H new ATOM 643 N GLY A 42 -1.248 -12.227 -6.477 1.00 0.00 N ATOM 644 CA GLY A 42 -0.317 -11.537 -7.410 1.00 0.00 C ATOM 645 C GLY A 42 -1.055 -10.385 -8.093 1.00 0.00 C ATOM 646 O GLY A 42 -0.526 -9.728 -8.969 1.00 0.00 O ATOM 0 H GLY A 42 -1.531 -11.680 -5.664 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.549 -11.159 -6.866 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.057 -12.239 -8.156 1.00 0.00 H new ATOM 650 N ALA A 43 -2.276 -10.133 -7.701 1.00 0.00 N ATOM 651 CA ALA A 43 -3.044 -9.028 -8.324 1.00 0.00 C ATOM 652 C ALA A 43 -2.376 -7.698 -7.981 1.00 0.00 C ATOM 653 O ALA A 43 -1.582 -7.611 -7.066 1.00 0.00 O ATOM 654 CB ALA A 43 -4.483 -9.034 -7.794 1.00 0.00 C ATOM 0 H ALA A 43 -2.771 -10.649 -6.974 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.062 -9.161 -9.406 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.044 -8.220 -8.254 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.957 -9.985 -8.038 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.473 -8.901 -6.712 1.00 0.00 H new ATOM 660 N ALA A 44 -2.688 -6.662 -8.704 1.00 0.00 N ATOM 661 CA ALA A 44 -2.071 -5.340 -8.412 1.00 0.00 C ATOM 662 C ALA A 44 -3.176 -4.293 -8.298 1.00 0.00 C ATOM 663 O ALA A 44 -4.245 -4.451 -8.854 1.00 0.00 O ATOM 664 CB ALA A 44 -1.117 -4.959 -9.546 1.00 0.00 C ATOM 0 H ALA A 44 -3.344 -6.673 -9.485 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.513 -5.390 -7.477 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.665 -3.990 -9.332 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.335 -5.713 -9.632 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.670 -4.902 -10.483 1.00 0.00 H new ATOM 670 N LEU A 45 -2.938 -3.218 -7.596 1.00 0.00 N ATOM 671 CA LEU A 45 -4.015 -2.182 -7.489 1.00 0.00 C ATOM 672 C LEU A 45 -3.466 -0.803 -7.856 1.00 0.00 C ATOM 673 O LEU A 45 -2.332 -0.470 -7.573 1.00 0.00 O ATOM 674 CB LEU A 45 -4.649 -2.178 -6.085 1.00 0.00 C ATOM 675 CG LEU A 45 -3.724 -1.568 -5.029 1.00 0.00 C ATOM 676 CD1 LEU A 45 -2.339 -2.160 -5.150 1.00 0.00 C ATOM 677 CD2 LEU A 45 -3.660 -0.047 -5.193 1.00 0.00 C ATOM 0 H LEU A 45 -2.070 -3.011 -7.102 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.803 -2.434 -8.199 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.583 -1.618 -6.113 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.898 -3.200 -5.799 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.123 -1.797 -4.041 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.688 -1.720 -4.395 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.390 -3.239 -5.001 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.939 -1.949 -6.142 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.999 0.373 -4.435 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.277 0.196 -6.184 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.659 0.374 -5.076 1.00 0.00 H new ATOM 689 N ALA A 46 -4.271 -0.007 -8.506 1.00 0.00 N ATOM 690 CA ALA A 46 -3.820 1.349 -8.923 1.00 0.00 C ATOM 691 C ALA A 46 -4.881 1.985 -9.833 1.00 0.00 C ATOM 692 O ALA A 46 -5.388 3.052 -9.535 1.00 0.00 O ATOM 693 CB ALA A 46 -2.496 1.237 -9.682 1.00 0.00 C ATOM 0 H ALA A 46 -5.229 -0.241 -8.767 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.679 1.972 -8.040 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.166 2.230 -9.987 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.743 0.787 -9.035 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.635 0.614 -10.565 1.00 0.00 H new ATOM 699 N PRO A 47 -5.195 1.307 -10.913 1.00 0.00 N ATOM 700 CA PRO A 47 -6.197 1.788 -11.882 1.00 0.00 C ATOM 701 C PRO A 47 -7.596 1.678 -11.278 1.00 0.00 C ATOM 702 O PRO A 47 -8.330 0.740 -11.522 1.00 0.00 O ATOM 703 CB PRO A 47 -6.015 0.864 -13.089 1.00 0.00 C ATOM 704 CG PRO A 47 -5.321 -0.411 -12.558 1.00 0.00 C ATOM 705 CD PRO A 47 -4.600 -0.003 -11.259 1.00 0.00 C ATOM 0 HA PRO A 47 -6.074 2.835 -12.158 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.976 0.623 -13.543 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -5.410 1.344 -13.859 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.049 -1.199 -12.367 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.613 -0.801 -13.289 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.760 -0.735 -10.467 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.523 0.075 -11.408 1.00 0.00 H new ATOM 713 N GLU A 48 -7.947 2.636 -10.472 1.00 0.00 N ATOM 714 CA GLU A 48 -9.271 2.636 -9.803 1.00 0.00 C ATOM 715 C GLU A 48 -9.183 3.569 -8.597 1.00 0.00 C ATOM 716 O GLU A 48 -10.166 4.123 -8.145 1.00 0.00 O ATOM 717 CB GLU A 48 -9.592 1.221 -9.335 1.00 0.00 C ATOM 718 CG GLU A 48 -10.697 0.628 -10.212 1.00 0.00 C ATOM 719 CD GLU A 48 -12.008 1.372 -9.955 1.00 0.00 C ATOM 720 OE1 GLU A 48 -12.050 2.154 -9.020 1.00 0.00 O ATOM 721 OE2 GLU A 48 -12.949 1.147 -10.699 1.00 0.00 O ATOM 0 H GLU A 48 -7.357 3.437 -10.245 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.052 2.971 -10.485 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.699 0.598 -9.388 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.910 1.235 -8.292 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.422 0.707 -11.264 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.820 -0.433 -9.993 1.00 0.00 H new ATOM 728 N LEU A 49 -7.995 3.751 -8.085 1.00 0.00 N ATOM 729 CA LEU A 49 -7.799 4.645 -6.925 1.00 0.00 C ATOM 730 C LEU A 49 -6.586 5.533 -7.191 1.00 0.00 C ATOM 731 O LEU A 49 -6.082 5.598 -8.294 1.00 0.00 O ATOM 732 CB LEU A 49 -7.560 3.812 -5.665 1.00 0.00 C ATOM 733 CG LEU A 49 -6.241 3.055 -5.794 1.00 0.00 C ATOM 734 CD1 LEU A 49 -5.414 3.255 -4.523 1.00 0.00 C ATOM 735 CD2 LEU A 49 -6.530 1.568 -5.982 1.00 0.00 C ATOM 0 H LEU A 49 -7.144 3.308 -8.432 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.686 5.261 -6.778 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.535 4.459 -4.788 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.381 3.110 -5.520 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.685 3.432 -6.653 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.472 2.715 -4.613 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.212 4.317 -4.384 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.969 2.876 -3.665 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.590 1.024 -6.075 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.083 1.193 -5.121 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.123 1.424 -6.885 1.00 0.00 H new ATOM 747 N LEU A 50 -6.107 6.208 -6.190 1.00 0.00 N ATOM 748 CA LEU A 50 -4.916 7.082 -6.388 1.00 0.00 C ATOM 749 C LEU A 50 -3.758 6.529 -5.559 1.00 0.00 C ATOM 750 O LEU A 50 -3.817 6.479 -4.345 1.00 0.00 O ATOM 751 CB LEU A 50 -5.241 8.506 -5.940 1.00 0.00 C ATOM 752 CG LEU A 50 -5.790 9.300 -7.126 1.00 0.00 C ATOM 753 CD1 LEU A 50 -6.246 10.681 -6.650 1.00 0.00 C ATOM 754 CD2 LEU A 50 -4.694 9.462 -8.181 1.00 0.00 C ATOM 0 H LEU A 50 -6.485 6.195 -5.243 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.640 7.100 -7.442 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.972 8.487 -5.132 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.346 8.989 -5.548 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.637 8.767 -7.558 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.637 11.247 -7.496 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.026 10.567 -5.898 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.400 11.214 -6.217 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.084 10.028 -9.027 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.848 9.995 -7.748 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.368 8.479 -8.521 1.00 0.00 H new ATOM 766 N VAL A 51 -2.713 6.090 -6.206 1.00 0.00 N ATOM 767 CA VAL A 51 -1.567 5.513 -5.454 1.00 0.00 C ATOM 768 C VAL A 51 -0.315 6.374 -5.623 1.00 0.00 C ATOM 769 O VAL A 51 0.360 6.320 -6.632 1.00 0.00 O ATOM 770 CB VAL A 51 -1.287 4.105 -5.979 1.00 0.00 C ATOM 771 CG1 VAL A 51 -0.044 3.537 -5.294 1.00 0.00 C ATOM 772 CG2 VAL A 51 -2.489 3.209 -5.680 1.00 0.00 C ATOM 0 H VAL A 51 -2.605 6.107 -7.220 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.823 5.480 -4.395 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.117 4.145 -7.055 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.152 2.533 -5.671 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.812 4.178 -5.505 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.209 3.495 -4.217 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.295 2.203 -6.052 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.656 3.171 -4.604 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.375 3.613 -6.171 1.00 0.00 H new ATOM 782 N ASP A 52 0.017 7.143 -4.624 1.00 0.00 N ATOM 783 CA ASP A 52 1.245 7.981 -4.700 1.00 0.00 C ATOM 784 C ASP A 52 2.338 7.270 -3.904 1.00 0.00 C ATOM 785 O ASP A 52 2.052 6.465 -3.041 1.00 0.00 O ATOM 786 CB ASP A 52 0.972 9.358 -4.090 1.00 0.00 C ATOM 787 CG ASP A 52 -0.259 9.977 -4.755 1.00 0.00 C ATOM 788 OD1 ASP A 52 -0.764 9.381 -5.692 1.00 0.00 O ATOM 789 OD2 ASP A 52 -0.675 11.036 -4.316 1.00 0.00 O ATOM 0 H ASP A 52 -0.511 7.227 -3.756 1.00 0.00 H new ATOM 0 HA ASP A 52 1.552 8.118 -5.737 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.810 9.266 -3.016 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.837 10.006 -4.228 1.00 0.00 H new ATOM 794 N ALA A 53 3.583 7.529 -4.175 1.00 0.00 N ATOM 795 CA ALA A 53 4.633 6.816 -3.401 1.00 0.00 C ATOM 796 C ALA A 53 5.945 7.602 -3.398 1.00 0.00 C ATOM 797 O ALA A 53 6.303 8.254 -4.359 1.00 0.00 O ATOM 798 CB ALA A 53 4.853 5.433 -4.013 1.00 0.00 C ATOM 0 H ALA A 53 3.915 8.186 -4.881 1.00 0.00 H new ATOM 0 HA ALA A 53 4.301 6.716 -2.368 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.622 4.904 -3.450 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.922 4.867 -3.976 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.172 5.540 -5.050 1.00 0.00 H new ATOM 804 N LYS A 54 6.660 7.535 -2.308 1.00 0.00 N ATOM 805 CA LYS A 54 7.959 8.263 -2.197 1.00 0.00 C ATOM 806 C LYS A 54 9.098 7.259 -1.974 1.00 0.00 C ATOM 807 O LYS A 54 8.888 6.150 -1.526 1.00 0.00 O ATOM 808 CB LYS A 54 7.898 9.235 -1.016 1.00 0.00 C ATOM 809 CG LYS A 54 8.088 10.666 -1.522 1.00 0.00 C ATOM 810 CD LYS A 54 7.775 11.651 -0.394 1.00 0.00 C ATOM 811 CE LYS A 54 6.748 12.676 -0.881 1.00 0.00 C ATOM 812 NZ LYS A 54 5.408 12.341 -0.321 1.00 0.00 N ATOM 0 H LYS A 54 6.397 7.001 -1.480 1.00 0.00 H new ATOM 0 HA LYS A 54 8.142 8.817 -3.118 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.940 9.143 -0.505 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.672 8.989 -0.289 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.111 10.807 -1.869 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.434 10.852 -2.374 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.388 11.116 0.473 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.686 12.157 -0.075 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.043 13.678 -0.571 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.709 12.678 -1.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.710 13.037 -0.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.127 11.391 -0.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.451 12.361 0.718 1.00 0.00 H new ATOM 826 N SER A 55 10.303 7.640 -2.294 1.00 0.00 N ATOM 827 CA SER A 55 11.460 6.712 -2.121 1.00 0.00 C ATOM 828 C SER A 55 11.567 6.226 -0.669 1.00 0.00 C ATOM 829 O SER A 55 11.934 5.096 -0.416 1.00 0.00 O ATOM 830 CB SER A 55 12.748 7.441 -2.503 1.00 0.00 C ATOM 831 OG SER A 55 12.710 7.767 -3.886 1.00 0.00 O ATOM 0 H SER A 55 10.539 8.558 -2.670 1.00 0.00 H new ATOM 0 HA SER A 55 11.308 5.845 -2.764 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.857 8.347 -1.907 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.612 6.812 -2.289 1.00 0.00 H new ATOM 0 HG SER A 55 13.454 7.325 -4.347 1.00 0.00 H new ATOM 837 N SER A 56 11.274 7.062 0.289 1.00 0.00 N ATOM 838 CA SER A 56 11.392 6.620 1.712 1.00 0.00 C ATOM 839 C SER A 56 10.005 6.390 2.319 1.00 0.00 C ATOM 840 O SER A 56 9.841 6.370 3.524 1.00 0.00 O ATOM 841 CB SER A 56 12.120 7.699 2.515 1.00 0.00 C ATOM 842 OG SER A 56 11.282 8.840 2.637 1.00 0.00 O ATOM 0 H SER A 56 10.961 8.023 0.153 1.00 0.00 H new ATOM 0 HA SER A 56 11.951 5.685 1.746 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.382 7.319 3.502 1.00 0.00 H new ATOM 0 HB3 SER A 56 13.053 7.970 2.020 1.00 0.00 H new ATOM 0 HG SER A 56 11.745 9.533 3.153 1.00 0.00 H new ATOM 848 N THR A 57 9.004 6.215 1.508 1.00 0.00 N ATOM 849 CA THR A 57 7.641 5.996 2.066 1.00 0.00 C ATOM 850 C THR A 57 6.662 5.831 0.914 1.00 0.00 C ATOM 851 O THR A 57 7.059 5.684 -0.218 1.00 0.00 O ATOM 852 CB THR A 57 7.246 7.226 2.893 1.00 0.00 C ATOM 853 OG1 THR A 57 6.081 6.951 3.656 1.00 0.00 O ATOM 854 CG2 THR A 57 6.968 8.394 1.950 1.00 0.00 C ATOM 0 H THR A 57 9.067 6.214 0.490 1.00 0.00 H new ATOM 0 HA THR A 57 7.626 5.106 2.694 1.00 0.00 H new ATOM 0 HB THR A 57 8.062 7.478 3.571 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.839 7.743 4.181 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.687 9.272 2.531 1.00 0.00 H new ATOM 0 HG22 THR A 57 7.864 8.615 1.370 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.154 8.130 1.274 1.00 0.00 H new ATOM 862 N THR A 58 5.388 5.876 1.185 1.00 0.00 N ATOM 863 CA THR A 58 4.402 5.754 0.084 1.00 0.00 C ATOM 864 C THR A 58 2.985 5.743 0.651 1.00 0.00 C ATOM 865 O THR A 58 2.744 5.281 1.748 1.00 0.00 O ATOM 866 CB THR A 58 4.638 4.464 -0.704 1.00 0.00 C ATOM 867 OG1 THR A 58 3.852 4.494 -1.883 1.00 0.00 O ATOM 868 CG2 THR A 58 4.232 3.260 0.142 1.00 0.00 C ATOM 0 H THR A 58 4.991 5.991 2.118 1.00 0.00 H new ATOM 0 HA THR A 58 4.524 6.608 -0.582 1.00 0.00 H new ATOM 0 HB THR A 58 5.694 4.382 -0.961 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.103 3.745 -2.463 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.402 2.344 -0.424 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.828 3.239 1.054 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.176 3.336 0.400 1.00 0.00 H new ATOM 876 N SER A 59 2.044 6.236 -0.101 1.00 0.00 N ATOM 877 CA SER A 59 0.637 6.245 0.374 1.00 0.00 C ATOM 878 C SER A 59 -0.282 6.107 -0.830 1.00 0.00 C ATOM 879 O SER A 59 0.039 6.524 -1.923 1.00 0.00 O ATOM 880 CB SER A 59 0.340 7.551 1.111 1.00 0.00 C ATOM 881 OG SER A 59 1.252 7.698 2.192 1.00 0.00 O ATOM 0 H SER A 59 2.190 6.635 -1.028 1.00 0.00 H new ATOM 0 HA SER A 59 0.474 5.416 1.063 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.429 8.396 0.428 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.685 7.548 1.482 1.00 0.00 H new ATOM 0 HG SER A 59 1.065 8.535 2.666 1.00 0.00 H new ATOM 887 N ILE A 60 -1.415 5.502 -0.649 1.00 0.00 N ATOM 888 CA ILE A 60 -2.330 5.315 -1.801 1.00 0.00 C ATOM 889 C ILE A 60 -3.774 5.428 -1.316 1.00 0.00 C ATOM 890 O ILE A 60 -4.252 4.630 -0.540 1.00 0.00 O ATOM 891 CB ILE A 60 -2.032 3.948 -2.434 1.00 0.00 C ATOM 892 CG1 ILE A 60 -2.726 2.815 -1.669 1.00 0.00 C ATOM 893 CG2 ILE A 60 -0.520 3.717 -2.378 1.00 0.00 C ATOM 894 CD1 ILE A 60 -2.414 1.479 -2.350 1.00 0.00 C ATOM 0 H ILE A 60 -1.747 5.130 0.241 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.181 6.083 -2.560 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.401 3.948 -3.460 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.385 2.797 -0.634 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.803 2.982 -1.647 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.283 2.750 -2.823 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.011 4.506 -2.932 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.188 3.730 -1.340 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.906 0.671 -1.809 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.777 1.501 -3.378 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.337 1.313 -2.349 1.00 0.00 H new ATOM 906 N PHE A 61 -4.466 6.443 -1.748 1.00 0.00 N ATOM 907 CA PHE A 61 -5.867 6.622 -1.274 1.00 0.00 C ATOM 908 C PHE A 61 -6.855 5.944 -2.206 1.00 0.00 C ATOM 909 O PHE A 61 -6.546 5.570 -3.320 1.00 0.00 O ATOM 910 CB PHE A 61 -6.255 8.106 -1.184 1.00 0.00 C ATOM 911 CG PHE A 61 -5.265 8.989 -1.874 1.00 0.00 C ATOM 912 CD1 PHE A 61 -4.056 9.297 -1.253 1.00 0.00 C ATOM 913 CD2 PHE A 61 -5.579 9.532 -3.117 1.00 0.00 C ATOM 914 CE1 PHE A 61 -3.151 10.150 -1.880 1.00 0.00 C ATOM 915 CE2 PHE A 61 -4.679 10.381 -3.754 1.00 0.00 C ATOM 916 CZ PHE A 61 -3.458 10.696 -3.137 1.00 0.00 C ATOM 0 H PHE A 61 -4.128 7.150 -2.401 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.909 6.169 -0.283 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.240 8.250 -1.628 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.332 8.397 -0.136 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.821 8.875 -0.287 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.522 9.294 -3.587 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.214 10.391 -1.400 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.919 10.797 -4.721 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.757 11.356 -3.627 1.00 0.00 H new ATOM 926 N PHE A 62 -8.062 5.820 -1.740 1.00 0.00 N ATOM 927 CA PHE A 62 -9.137 5.208 -2.551 1.00 0.00 C ATOM 928 C PHE A 62 -10.148 6.308 -2.843 1.00 0.00 C ATOM 929 O PHE A 62 -11.141 6.411 -2.161 1.00 0.00 O ATOM 930 CB PHE A 62 -9.843 4.110 -1.746 1.00 0.00 C ATOM 931 CG PHE A 62 -8.939 2.918 -1.518 1.00 0.00 C ATOM 932 CD1 PHE A 62 -7.626 3.084 -1.055 1.00 0.00 C ATOM 933 CD2 PHE A 62 -9.435 1.631 -1.757 1.00 0.00 C ATOM 934 CE1 PHE A 62 -6.815 1.965 -0.835 1.00 0.00 C ATOM 935 CE2 PHE A 62 -8.623 0.514 -1.539 1.00 0.00 C ATOM 936 CZ PHE A 62 -7.313 0.680 -1.078 1.00 0.00 C ATOM 0 H PHE A 62 -8.352 6.125 -0.811 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.726 4.773 -3.462 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -10.165 4.512 -0.785 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -10.741 3.791 -2.275 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.241 4.075 -0.868 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -10.447 1.501 -2.111 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -5.804 2.093 -0.477 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -9.008 -0.478 -1.727 1.00 0.00 H new ATOM 0 HZ PHE A 62 -6.686 -0.183 -0.910 1.00 0.00 H new ATOM 946 N PRO A 63 -9.870 7.104 -3.838 1.00 0.00 N ATOM 947 CA PRO A 63 -10.751 8.225 -4.215 1.00 0.00 C ATOM 948 C PRO A 63 -12.097 7.683 -4.688 1.00 0.00 C ATOM 949 O PRO A 63 -13.065 8.404 -4.826 1.00 0.00 O ATOM 950 CB PRO A 63 -9.970 8.935 -5.327 1.00 0.00 C ATOM 951 CG PRO A 63 -8.984 7.886 -5.879 1.00 0.00 C ATOM 952 CD PRO A 63 -8.690 6.939 -4.707 1.00 0.00 C ATOM 0 HA PRO A 63 -10.986 8.908 -3.399 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -10.640 9.292 -6.109 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -9.440 9.805 -4.939 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.417 7.345 -6.721 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -8.070 8.358 -6.240 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.577 5.908 -5.041 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.769 7.210 -4.191 1.00 0.00 H new ATOM 960 N SER A 64 -12.158 6.404 -4.906 1.00 0.00 N ATOM 961 CA SER A 64 -13.427 5.764 -5.337 1.00 0.00 C ATOM 962 C SER A 64 -13.553 4.410 -4.629 1.00 0.00 C ATOM 963 O SER A 64 -13.697 3.384 -5.264 1.00 0.00 O ATOM 964 CB SER A 64 -13.404 5.549 -6.852 1.00 0.00 C ATOM 965 OG SER A 64 -14.713 5.736 -7.373 1.00 0.00 O ATOM 0 H SER A 64 -11.370 5.764 -4.802 1.00 0.00 H new ATOM 0 HA SER A 64 -14.273 6.401 -5.081 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.711 6.248 -7.320 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.048 4.545 -7.083 1.00 0.00 H new ATOM 0 HG SER A 64 -14.701 5.600 -8.344 1.00 0.00 H new ATOM 971 N ALA A 65 -13.490 4.391 -3.318 1.00 0.00 N ATOM 972 CA ALA A 65 -13.595 3.093 -2.598 1.00 0.00 C ATOM 973 C ALA A 65 -15.053 2.674 -2.499 1.00 0.00 C ATOM 974 O ALA A 65 -15.933 3.492 -2.296 1.00 0.00 O ATOM 975 CB ALA A 65 -13.027 3.219 -1.190 1.00 0.00 C ATOM 0 H ALA A 65 -13.372 5.213 -2.725 1.00 0.00 H new ATOM 0 HA ALA A 65 -13.028 2.346 -3.154 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -13.111 2.261 -0.677 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.978 3.510 -1.246 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.585 3.976 -0.639 1.00 0.00 H new ATOM 981 N LYS A 66 -15.298 1.401 -2.641 1.00 0.00 N ATOM 982 CA LYS A 66 -16.686 0.876 -2.568 1.00 0.00 C ATOM 983 C LYS A 66 -16.667 -0.585 -2.105 1.00 0.00 C ATOM 984 O LYS A 66 -15.623 -1.179 -1.930 1.00 0.00 O ATOM 985 CB LYS A 66 -17.316 0.976 -3.955 1.00 0.00 C ATOM 986 CG LYS A 66 -16.744 -0.112 -4.867 1.00 0.00 C ATOM 987 CD LYS A 66 -17.537 -0.149 -6.175 1.00 0.00 C ATOM 988 CE LYS A 66 -18.919 -0.752 -5.916 1.00 0.00 C ATOM 989 NZ LYS A 66 -19.968 0.165 -6.446 1.00 0.00 N ATOM 0 H LYS A 66 -14.582 0.693 -2.807 1.00 0.00 H new ATOM 0 HA LYS A 66 -17.268 1.458 -1.854 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -18.398 0.869 -3.881 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.122 1.960 -4.382 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -15.692 0.086 -5.072 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -16.795 -1.081 -4.371 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -17.638 0.858 -6.580 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -17.004 -0.740 -6.919 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -18.998 -1.728 -6.396 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -19.065 -0.909 -4.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -20.908 -0.244 -6.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -19.897 1.086 -5.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -19.832 0.293 -7.469 1.00 0.00 H new ATOM 1003 N ARG A 67 -17.821 -1.162 -1.899 1.00 0.00 N ATOM 1004 CA ARG A 67 -17.885 -2.580 -1.438 1.00 0.00 C ATOM 1005 C ARG A 67 -16.939 -3.451 -2.268 1.00 0.00 C ATOM 1006 O ARG A 67 -16.189 -4.245 -1.737 1.00 0.00 O ATOM 1007 CB ARG A 67 -19.317 -3.099 -1.592 1.00 0.00 C ATOM 1008 CG ARG A 67 -19.526 -4.298 -0.665 1.00 0.00 C ATOM 1009 CD ARG A 67 -21.005 -4.399 -0.286 1.00 0.00 C ATOM 1010 NE ARG A 67 -21.146 -4.282 1.193 1.00 0.00 N ATOM 1011 CZ ARG A 67 -22.234 -3.776 1.706 1.00 0.00 C ATOM 1012 NH1 ARG A 67 -22.716 -2.657 1.239 1.00 0.00 N ATOM 1013 NH2 ARG A 67 -22.840 -4.390 2.685 1.00 0.00 N ATOM 0 H ARG A 67 -18.726 -0.710 -2.031 1.00 0.00 H new ATOM 0 HA ARG A 67 -17.583 -2.626 -0.392 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -20.029 -2.310 -1.350 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -19.501 -3.389 -2.627 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -19.203 -5.214 -1.160 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -18.917 -4.188 0.232 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -21.573 -3.611 -0.780 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -21.415 -5.349 -0.627 1.00 0.00 H new ATOM 0 HE ARG A 67 -20.393 -4.597 1.804 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -22.242 -2.178 0.473 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -23.566 -2.261 1.640 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -22.463 -5.265 3.049 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -23.690 -3.995 3.086 1.00 0.00 H new ATOM 1027 N ALA A 68 -16.981 -3.325 -3.565 1.00 0.00 N ATOM 1028 CA ALA A 68 -16.098 -4.155 -4.427 1.00 0.00 C ATOM 1029 C ALA A 68 -14.625 -3.886 -4.101 1.00 0.00 C ATOM 1030 O ALA A 68 -13.795 -4.771 -4.168 1.00 0.00 O ATOM 1031 CB ALA A 68 -16.361 -3.815 -5.895 1.00 0.00 C ATOM 0 H ALA A 68 -17.592 -2.680 -4.066 1.00 0.00 H new ATOM 0 HA ALA A 68 -16.313 -5.208 -4.243 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -15.715 -4.421 -6.530 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -17.404 -4.021 -6.135 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -16.151 -2.759 -6.067 1.00 0.00 H new ATOM 1037 N ASP A 69 -14.288 -2.671 -3.762 1.00 0.00 N ATOM 1038 CA ASP A 69 -12.864 -2.350 -3.449 1.00 0.00 C ATOM 1039 C ASP A 69 -12.364 -3.234 -2.303 1.00 0.00 C ATOM 1040 O ASP A 69 -11.177 -3.341 -2.064 1.00 0.00 O ATOM 1041 CB ASP A 69 -12.753 -0.881 -3.038 1.00 0.00 C ATOM 1042 CG ASP A 69 -11.360 -0.615 -2.468 1.00 0.00 C ATOM 1043 OD1 ASP A 69 -10.480 -0.272 -3.240 1.00 0.00 O ATOM 1044 OD2 ASP A 69 -11.195 -0.758 -1.267 1.00 0.00 O ATOM 0 H ASP A 69 -14.936 -1.887 -3.688 1.00 0.00 H new ATOM 0 HA ASP A 69 -12.256 -2.534 -4.334 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -12.935 -0.237 -3.898 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -13.513 -0.642 -2.295 1.00 0.00 H new ATOM 1049 N SER A 70 -13.254 -3.862 -1.590 1.00 0.00 N ATOM 1050 CA SER A 70 -12.824 -4.732 -0.457 1.00 0.00 C ATOM 1051 C SER A 70 -11.853 -5.802 -0.964 1.00 0.00 C ATOM 1052 O SER A 70 -12.246 -6.760 -1.599 1.00 0.00 O ATOM 1053 CB SER A 70 -14.049 -5.406 0.162 1.00 0.00 C ATOM 1054 OG SER A 70 -14.463 -6.482 -0.670 1.00 0.00 O ATOM 0 H SER A 70 -14.262 -3.812 -1.741 1.00 0.00 H new ATOM 0 HA SER A 70 -12.325 -4.122 0.295 1.00 0.00 H new ATOM 0 HB2 SER A 70 -13.811 -5.774 1.160 1.00 0.00 H new ATOM 0 HB3 SER A 70 -14.858 -4.684 0.273 1.00 0.00 H new ATOM 0 HG SER A 70 -13.877 -6.533 -1.454 1.00 0.00 H new ATOM 1060 N GLY A 71 -10.586 -5.647 -0.685 1.00 0.00 N ATOM 1061 CA GLY A 71 -9.591 -6.657 -1.149 1.00 0.00 C ATOM 1062 C GLY A 71 -8.379 -6.655 -0.213 1.00 0.00 C ATOM 1063 O GLY A 71 -8.395 -6.049 0.843 1.00 0.00 O ATOM 0 H GLY A 71 -10.198 -4.866 -0.157 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.046 -7.647 -1.169 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.276 -6.430 -2.168 1.00 0.00 H new ATOM 1067 N ASN A 72 -7.324 -7.323 -0.593 1.00 0.00 N ATOM 1068 CA ASN A 72 -6.113 -7.353 0.273 1.00 0.00 C ATOM 1069 C ASN A 72 -5.061 -6.423 -0.322 1.00 0.00 C ATOM 1070 O ASN A 72 -4.298 -6.806 -1.180 1.00 0.00 O ATOM 1071 CB ASN A 72 -5.562 -8.780 0.331 1.00 0.00 C ATOM 1072 CG ASN A 72 -6.312 -9.573 1.402 1.00 0.00 C ATOM 1073 OD1 ASN A 72 -7.264 -9.088 1.978 1.00 0.00 O ATOM 1074 ND2 ASN A 72 -5.920 -10.783 1.694 1.00 0.00 N ATOM 0 H ASN A 72 -7.249 -7.848 -1.464 1.00 0.00 H new ATOM 0 HA ASN A 72 -6.368 -7.027 1.281 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -5.673 -9.264 -0.639 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -4.496 -8.761 0.557 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -6.414 -11.321 2.406 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -5.120 -11.191 1.210 1.00 0.00 H new ATOM 1081 N TYR A 73 -5.011 -5.202 0.122 1.00 0.00 N ATOM 1082 CA TYR A 73 -4.006 -4.261 -0.436 1.00 0.00 C ATOM 1083 C TYR A 73 -2.632 -4.591 0.135 1.00 0.00 C ATOM 1084 O TYR A 73 -2.320 -4.273 1.263 1.00 0.00 O ATOM 1085 CB TYR A 73 -4.401 -2.828 -0.084 1.00 0.00 C ATOM 1086 CG TYR A 73 -5.429 -2.358 -1.083 1.00 0.00 C ATOM 1087 CD1 TYR A 73 -6.727 -2.881 -1.051 1.00 0.00 C ATOM 1088 CD2 TYR A 73 -5.079 -1.418 -2.056 1.00 0.00 C ATOM 1089 CE1 TYR A 73 -7.675 -2.459 -1.990 1.00 0.00 C ATOM 1090 CE2 TYR A 73 -6.025 -0.998 -2.999 1.00 0.00 C ATOM 1091 CZ TYR A 73 -7.324 -1.519 -2.965 1.00 0.00 C ATOM 1092 OH TYR A 73 -8.257 -1.106 -3.893 1.00 0.00 O ATOM 0 H TYR A 73 -5.619 -4.816 0.844 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.969 -4.359 -1.521 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.807 -2.784 0.927 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.527 -2.178 -0.105 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.997 -3.610 -0.302 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.077 -1.015 -2.081 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.678 -2.859 -1.962 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.753 -0.273 -3.752 1.00 0.00 H new ATOM 0 HH TYR A 73 -8.873 -0.469 -3.476 1.00 0.00 H new ATOM 1102 N LYS A 74 -1.809 -5.235 -0.642 1.00 0.00 N ATOM 1103 CA LYS A 74 -0.453 -5.595 -0.151 1.00 0.00 C ATOM 1104 C LYS A 74 0.568 -4.657 -0.784 1.00 0.00 C ATOM 1105 O LYS A 74 0.255 -3.901 -1.680 1.00 0.00 O ATOM 1106 CB LYS A 74 -0.134 -7.039 -0.548 1.00 0.00 C ATOM 1107 CG LYS A 74 0.824 -7.653 0.475 1.00 0.00 C ATOM 1108 CD LYS A 74 0.999 -9.144 0.180 1.00 0.00 C ATOM 1109 CE LYS A 74 2.006 -9.744 1.163 1.00 0.00 C ATOM 1110 NZ LYS A 74 3.332 -9.091 0.977 1.00 0.00 N ATOM 0 H LYS A 74 -2.017 -5.528 -1.597 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.416 -5.503 0.934 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.052 -7.624 -0.598 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.314 -7.063 -1.541 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.789 -7.148 0.434 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.434 -7.514 1.483 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.041 -9.657 0.265 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.346 -9.285 -0.844 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.659 -9.602 2.187 1.00 0.00 H new ATOM 0 HE3 LYS A 74 2.092 -10.819 1.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.075 -9.690 1.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.516 -8.962 -0.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.332 -8.164 1.449 1.00 0.00 H new ATOM 1124 N LEU A 75 1.785 -4.693 -0.327 1.00 0.00 N ATOM 1125 CA LEU A 75 2.817 -3.798 -0.910 1.00 0.00 C ATOM 1126 C LEU A 75 4.188 -4.450 -0.749 1.00 0.00 C ATOM 1127 O LEU A 75 4.459 -5.111 0.231 1.00 0.00 O ATOM 1128 CB LEU A 75 2.775 -2.450 -0.184 1.00 0.00 C ATOM 1129 CG LEU A 75 4.047 -1.652 -0.469 1.00 0.00 C ATOM 1130 CD1 LEU A 75 3.687 -0.345 -1.172 1.00 0.00 C ATOM 1131 CD2 LEU A 75 4.746 -1.337 0.853 1.00 0.00 C ATOM 0 H LEU A 75 2.109 -5.302 0.424 1.00 0.00 H new ATOM 0 HA LEU A 75 2.625 -3.635 -1.971 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.902 -1.883 -0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.672 -2.611 0.889 1.00 0.00 H new ATOM 0 HG LEU A 75 4.708 -2.236 -1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.596 0.222 -1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.180 -0.565 -2.112 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.028 0.242 -0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.655 -0.768 0.657 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.080 -0.751 1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.003 -2.267 1.360 1.00 0.00 H new ATOM 1143 N LYS A 76 5.055 -4.280 -1.705 1.00 0.00 N ATOM 1144 CA LYS A 76 6.403 -4.899 -1.597 1.00 0.00 C ATOM 1145 C LYS A 76 7.451 -3.932 -2.145 1.00 0.00 C ATOM 1146 O LYS A 76 7.548 -3.720 -3.338 1.00 0.00 O ATOM 1147 CB LYS A 76 6.434 -6.199 -2.403 1.00 0.00 C ATOM 1148 CG LYS A 76 5.223 -7.057 -2.032 1.00 0.00 C ATOM 1149 CD LYS A 76 5.504 -8.519 -2.387 1.00 0.00 C ATOM 1150 CE LYS A 76 4.543 -8.971 -3.488 1.00 0.00 C ATOM 1151 NZ LYS A 76 4.553 -10.459 -3.575 1.00 0.00 N ATOM 0 H LYS A 76 4.889 -3.741 -2.555 1.00 0.00 H new ATOM 0 HA LYS A 76 6.621 -5.117 -0.552 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.424 -5.978 -3.470 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.356 -6.744 -2.199 1.00 0.00 H new ATOM 0 HG2 LYS A 76 5.011 -6.965 -0.967 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.339 -6.706 -2.564 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.535 -8.631 -2.721 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.385 -9.148 -1.505 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.535 -8.615 -3.275 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.838 -8.538 -4.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.900 -10.767 -4.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.514 -10.787 -3.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.252 -10.862 -2.665 1.00 0.00 H new ATOM 1165 N VAL A 77 8.244 -3.351 -1.288 1.00 0.00 N ATOM 1166 CA VAL A 77 9.289 -2.411 -1.772 1.00 0.00 C ATOM 1167 C VAL A 77 10.652 -3.082 -1.612 1.00 0.00 C ATOM 1168 O VAL A 77 10.872 -3.834 -0.687 1.00 0.00 O ATOM 1169 CB VAL A 77 9.217 -1.095 -0.976 1.00 0.00 C ATOM 1170 CG1 VAL A 77 7.759 -0.797 -0.633 1.00 0.00 C ATOM 1171 CG2 VAL A 77 10.020 -1.190 0.325 1.00 0.00 C ATOM 0 H VAL A 77 8.213 -3.487 -0.278 1.00 0.00 H new ATOM 0 HA VAL A 77 9.131 -2.170 -2.823 1.00 0.00 H new ATOM 0 HB VAL A 77 9.640 -0.300 -1.590 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.701 0.134 -0.069 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.181 -0.701 -1.552 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.353 -1.611 -0.032 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.950 -0.246 0.865 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.618 -1.992 0.943 1.00 0.00 H new ATOM 0 HG23 VAL A 77 11.064 -1.399 0.094 1.00 0.00 H new ATOM 1181 N LYS A 78 11.561 -2.845 -2.513 1.00 0.00 N ATOM 1182 CA LYS A 78 12.891 -3.505 -2.398 1.00 0.00 C ATOM 1183 C LYS A 78 14.012 -2.515 -2.718 1.00 0.00 C ATOM 1184 O LYS A 78 13.780 -1.352 -2.988 1.00 0.00 O ATOM 1185 CB LYS A 78 12.960 -4.680 -3.375 1.00 0.00 C ATOM 1186 CG LYS A 78 11.583 -5.337 -3.484 1.00 0.00 C ATOM 1187 CD LYS A 78 11.626 -6.437 -4.546 1.00 0.00 C ATOM 1188 CE LYS A 78 12.261 -5.888 -5.825 1.00 0.00 C ATOM 1189 NZ LYS A 78 11.573 -6.472 -7.011 1.00 0.00 N ATOM 0 H LYS A 78 11.444 -2.229 -3.318 1.00 0.00 H new ATOM 0 HA LYS A 78 13.018 -3.861 -1.376 1.00 0.00 H new ATOM 0 HB2 LYS A 78 13.287 -4.333 -4.355 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.696 -5.408 -3.033 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.291 -5.757 -2.521 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.832 -4.592 -3.747 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.199 -7.289 -4.180 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.618 -6.797 -4.753 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.183 -4.801 -5.845 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.323 -6.132 -5.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.004 -6.099 -7.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.669 -7.507 -6.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.565 -6.217 -6.988 1.00 0.00 H new ATOM 1203 N ASN A 79 15.230 -2.984 -2.688 1.00 0.00 N ATOM 1204 CA ASN A 79 16.393 -2.104 -2.986 1.00 0.00 C ATOM 1205 C ASN A 79 17.650 -2.970 -3.118 1.00 0.00 C ATOM 1206 O ASN A 79 17.682 -4.104 -2.682 1.00 0.00 O ATOM 1207 CB ASN A 79 16.582 -1.099 -1.848 1.00 0.00 C ATOM 1208 CG ASN A 79 17.272 0.155 -2.387 1.00 0.00 C ATOM 1209 OD1 ASN A 79 16.991 0.593 -3.485 1.00 0.00 O ATOM 1210 ND2 ASN A 79 18.169 0.757 -1.656 1.00 0.00 N ATOM 0 H ASN A 79 15.470 -3.950 -2.467 1.00 0.00 H new ATOM 0 HA ASN A 79 16.217 -1.563 -3.916 1.00 0.00 H new ATOM 0 HB2 ASN A 79 15.617 -0.838 -1.414 1.00 0.00 H new ATOM 0 HB3 ASN A 79 17.180 -1.543 -1.052 1.00 0.00 H new ATOM 0 HD21 ASN A 79 18.634 1.595 -2.006 1.00 0.00 H new ATOM 0 HD22 ASN A 79 18.406 0.390 -0.734 1.00 0.00 H new ATOM 1217 N GLU A 80 18.681 -2.449 -3.721 1.00 0.00 N ATOM 1218 CA GLU A 80 19.930 -3.246 -3.889 1.00 0.00 C ATOM 1219 C GLU A 80 20.509 -3.614 -2.520 1.00 0.00 C ATOM 1220 O GLU A 80 21.285 -4.540 -2.395 1.00 0.00 O ATOM 1221 CB GLU A 80 20.957 -2.418 -4.662 1.00 0.00 C ATOM 1222 CG GLU A 80 22.116 -3.317 -5.096 1.00 0.00 C ATOM 1223 CD GLU A 80 23.394 -2.484 -5.211 1.00 0.00 C ATOM 1224 OE1 GLU A 80 23.567 -1.839 -6.232 1.00 0.00 O ATOM 1225 OE2 GLU A 80 24.178 -2.505 -4.277 1.00 0.00 O ATOM 0 H GLU A 80 18.714 -1.505 -4.106 1.00 0.00 H new ATOM 0 HA GLU A 80 19.698 -4.159 -4.437 1.00 0.00 H new ATOM 0 HB2 GLU A 80 20.490 -1.963 -5.535 1.00 0.00 H new ATOM 0 HB3 GLU A 80 21.328 -1.605 -4.038 1.00 0.00 H new ATOM 0 HG2 GLU A 80 22.257 -4.121 -4.373 1.00 0.00 H new ATOM 0 HG3 GLU A 80 21.888 -3.786 -6.053 1.00 0.00 H new ATOM 1232 N LEU A 81 20.152 -2.891 -1.495 1.00 0.00 N ATOM 1233 CA LEU A 81 20.701 -3.199 -0.142 1.00 0.00 C ATOM 1234 C LEU A 81 19.717 -4.069 0.648 1.00 0.00 C ATOM 1235 O LEU A 81 19.788 -4.154 1.857 1.00 0.00 O ATOM 1236 CB LEU A 81 20.942 -1.893 0.616 1.00 0.00 C ATOM 1237 CG LEU A 81 22.446 -1.653 0.750 1.00 0.00 C ATOM 1238 CD1 LEU A 81 23.059 -2.734 1.641 1.00 0.00 C ATOM 1239 CD2 LEU A 81 23.095 -1.707 -0.635 1.00 0.00 C ATOM 0 H LEU A 81 19.506 -2.102 -1.534 1.00 0.00 H new ATOM 0 HA LEU A 81 21.639 -3.742 -0.257 1.00 0.00 H new ATOM 0 HB2 LEU A 81 20.476 -1.062 0.087 1.00 0.00 H new ATOM 0 HB3 LEU A 81 20.481 -1.942 1.603 1.00 0.00 H new ATOM 0 HG LEU A 81 22.619 -0.674 1.196 1.00 0.00 H new ATOM 0 HD11 LEU A 81 24.131 -2.562 1.736 1.00 0.00 H new ATOM 0 HD12 LEU A 81 22.597 -2.698 2.627 1.00 0.00 H new ATOM 0 HD13 LEU A 81 22.887 -3.714 1.195 1.00 0.00 H new ATOM 0 HD21 LEU A 81 24.167 -1.536 -0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 81 22.921 -2.687 -1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 81 22.659 -0.937 -1.271 1.00 0.00 H new ATOM 1251 N GLY A 82 18.802 -4.719 -0.018 1.00 0.00 N ATOM 1252 CA GLY A 82 17.826 -5.579 0.712 1.00 0.00 C ATOM 1253 C GLY A 82 16.420 -5.326 0.171 1.00 0.00 C ATOM 1254 O GLY A 82 16.239 -5.066 -1.001 1.00 0.00 O ATOM 0 H GLY A 82 18.688 -4.693 -1.031 1.00 0.00 H new ATOM 0 HA2 GLY A 82 18.090 -6.630 0.592 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.861 -5.362 1.780 1.00 0.00 H new ATOM 1258 N GLU A 83 15.421 -5.393 1.011 1.00 0.00 N ATOM 1259 CA GLU A 83 14.032 -5.149 0.528 1.00 0.00 C ATOM 1260 C GLU A 83 13.032 -5.348 1.670 1.00 0.00 C ATOM 1261 O GLU A 83 13.173 -6.233 2.490 1.00 0.00 O ATOM 1262 CB GLU A 83 13.705 -6.125 -0.604 1.00 0.00 C ATOM 1263 CG GLU A 83 13.780 -7.560 -0.078 1.00 0.00 C ATOM 1264 CD GLU A 83 14.742 -8.373 -0.946 1.00 0.00 C ATOM 1265 OE1 GLU A 83 15.582 -7.768 -1.591 1.00 0.00 O ATOM 1266 OE2 GLU A 83 14.622 -9.587 -0.951 1.00 0.00 O ATOM 0 H GLU A 83 15.507 -5.605 2.005 1.00 0.00 H new ATOM 0 HA GLU A 83 13.961 -4.124 0.165 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.709 -5.922 -0.997 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.406 -5.991 -1.428 1.00 0.00 H new ATOM 0 HG2 GLU A 83 14.119 -7.561 0.958 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.790 -8.015 -0.090 1.00 0.00 H new ATOM 1273 N ASP A 84 12.017 -4.526 1.721 1.00 0.00 N ATOM 1274 CA ASP A 84 10.994 -4.654 2.798 1.00 0.00 C ATOM 1275 C ASP A 84 9.598 -4.758 2.170 1.00 0.00 C ATOM 1276 O ASP A 84 9.424 -4.561 0.983 1.00 0.00 O ATOM 1277 CB ASP A 84 11.055 -3.421 3.698 1.00 0.00 C ATOM 1278 CG ASP A 84 11.585 -3.819 5.076 1.00 0.00 C ATOM 1279 OD1 ASP A 84 10.785 -4.229 5.901 1.00 0.00 O ATOM 1280 OD2 ASP A 84 12.781 -3.706 5.284 1.00 0.00 O ATOM 0 H ASP A 84 11.853 -3.768 1.059 1.00 0.00 H new ATOM 0 HA ASP A 84 11.193 -5.549 3.387 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.702 -2.665 3.253 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.064 -2.978 3.792 1.00 0.00 H new ATOM 1285 N GLU A 85 8.599 -5.065 2.957 1.00 0.00 N ATOM 1286 CA GLU A 85 7.221 -5.182 2.396 1.00 0.00 C ATOM 1287 C GLU A 85 6.188 -5.022 3.516 1.00 0.00 C ATOM 1288 O GLU A 85 6.507 -5.088 4.686 1.00 0.00 O ATOM 1289 CB GLU A 85 7.050 -6.558 1.747 1.00 0.00 C ATOM 1290 CG GLU A 85 8.168 -6.789 0.729 1.00 0.00 C ATOM 1291 CD GLU A 85 7.913 -8.097 -0.022 1.00 0.00 C ATOM 1292 OE1 GLU A 85 6.962 -8.780 0.323 1.00 0.00 O ATOM 1293 OE2 GLU A 85 8.672 -8.394 -0.930 1.00 0.00 O ATOM 0 H GLU A 85 8.678 -5.239 3.959 1.00 0.00 H new ATOM 0 HA GLU A 85 7.071 -4.401 1.651 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.073 -7.336 2.510 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.079 -6.621 1.256 1.00 0.00 H new ATOM 0 HG2 GLU A 85 8.212 -5.957 0.026 1.00 0.00 H new ATOM 0 HG3 GLU A 85 9.132 -6.830 1.235 1.00 0.00 H new ATOM 1300 N ALA A 86 4.949 -4.814 3.158 1.00 0.00 N ATOM 1301 CA ALA A 86 3.884 -4.650 4.187 1.00 0.00 C ATOM 1302 C ALA A 86 2.566 -5.223 3.652 1.00 0.00 C ATOM 1303 O ALA A 86 2.344 -5.289 2.457 1.00 0.00 O ATOM 1304 CB ALA A 86 3.702 -3.164 4.496 1.00 0.00 C ATOM 0 H ALA A 86 4.628 -4.751 2.192 1.00 0.00 H new ATOM 0 HA ALA A 86 4.170 -5.180 5.096 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.923 -3.042 5.249 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.639 -2.753 4.873 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.414 -2.636 3.587 1.00 0.00 H new ATOM 1310 N ILE A 87 1.691 -5.636 4.529 1.00 0.00 N ATOM 1311 CA ILE A 87 0.387 -6.204 4.079 1.00 0.00 C ATOM 1312 C ILE A 87 -0.758 -5.344 4.621 1.00 0.00 C ATOM 1313 O ILE A 87 -0.760 -4.950 5.770 1.00 0.00 O ATOM 1314 CB ILE A 87 0.251 -7.635 4.607 1.00 0.00 C ATOM 1315 CG1 ILE A 87 -0.944 -8.324 3.936 1.00 0.00 C ATOM 1316 CG2 ILE A 87 0.043 -7.606 6.123 1.00 0.00 C ATOM 1317 CD1 ILE A 87 -2.257 -7.704 4.429 1.00 0.00 C ATOM 0 H ILE A 87 1.823 -5.605 5.540 1.00 0.00 H new ATOM 0 HA ILE A 87 0.346 -6.213 2.990 1.00 0.00 H new ATOM 0 HB ILE A 87 1.161 -8.190 4.378 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.870 -8.224 2.853 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.931 -9.391 4.159 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.054 -8.625 6.497 1.00 0.00 H new ATOM 0 HG22 ILE A 87 0.898 -7.125 6.598 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -0.864 -7.047 6.355 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -3.098 -8.201 3.946 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.335 -7.827 5.509 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.273 -6.642 4.183 1.00 0.00 H new ATOM 1329 N PHE A 88 -1.737 -5.055 3.805 1.00 0.00 N ATOM 1330 CA PHE A 88 -2.882 -4.225 4.279 1.00 0.00 C ATOM 1331 C PHE A 88 -4.200 -4.847 3.807 1.00 0.00 C ATOM 1332 O PHE A 88 -4.571 -4.747 2.653 1.00 0.00 O ATOM 1333 CB PHE A 88 -2.761 -2.804 3.721 1.00 0.00 C ATOM 1334 CG PHE A 88 -1.400 -2.240 4.054 1.00 0.00 C ATOM 1335 CD1 PHE A 88 -0.330 -2.426 3.170 1.00 0.00 C ATOM 1336 CD2 PHE A 88 -1.209 -1.527 5.244 1.00 0.00 C ATOM 1337 CE1 PHE A 88 0.931 -1.900 3.477 1.00 0.00 C ATOM 1338 CE2 PHE A 88 0.052 -1.001 5.551 1.00 0.00 C ATOM 1339 CZ PHE A 88 1.122 -1.188 4.667 1.00 0.00 C ATOM 0 H PHE A 88 -1.793 -5.357 2.832 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.867 -4.187 5.368 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.907 -2.814 2.641 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.541 -2.170 4.142 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.477 -2.975 2.252 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -2.035 -1.383 5.925 1.00 0.00 H new ATOM 0 HE1 PHE A 88 1.756 -2.044 2.795 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.199 -0.451 6.469 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.095 -0.783 4.903 1.00 0.00 H new ATOM 1349 N GLU A 89 -4.918 -5.475 4.696 1.00 0.00 N ATOM 1350 CA GLU A 89 -6.218 -6.091 4.310 1.00 0.00 C ATOM 1351 C GLU A 89 -7.269 -4.988 4.256 1.00 0.00 C ATOM 1352 O GLU A 89 -7.704 -4.479 5.271 1.00 0.00 O ATOM 1353 CB GLU A 89 -6.621 -7.138 5.351 1.00 0.00 C ATOM 1354 CG GLU A 89 -7.636 -8.105 4.739 1.00 0.00 C ATOM 1355 CD GLU A 89 -6.976 -9.467 4.519 1.00 0.00 C ATOM 1356 OE1 GLU A 89 -5.791 -9.490 4.228 1.00 0.00 O ATOM 1357 OE2 GLU A 89 -7.666 -10.466 4.646 1.00 0.00 O ATOM 0 H GLU A 89 -4.660 -5.588 5.676 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.132 -6.578 3.339 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.742 -7.685 5.691 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.050 -6.650 6.226 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.498 -8.209 5.398 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.005 -7.711 3.792 1.00 0.00 H new ATOM 1364 N VAL A 90 -7.664 -4.589 3.082 1.00 0.00 N ATOM 1365 CA VAL A 90 -8.660 -3.494 2.984 1.00 0.00 C ATOM 1366 C VAL A 90 -10.063 -4.059 2.785 1.00 0.00 C ATOM 1367 O VAL A 90 -10.319 -4.830 1.883 1.00 0.00 O ATOM 1368 CB VAL A 90 -8.293 -2.589 1.811 1.00 0.00 C ATOM 1369 CG1 VAL A 90 -9.251 -1.397 1.762 1.00 0.00 C ATOM 1370 CG2 VAL A 90 -6.859 -2.086 2.001 1.00 0.00 C ATOM 0 H VAL A 90 -7.342 -4.971 2.193 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.651 -2.920 3.911 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.369 -3.147 0.878 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.987 -0.752 0.924 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.272 -1.756 1.636 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.177 -0.832 2.691 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.587 -1.438 1.168 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.791 -1.526 2.933 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.177 -2.936 2.037 1.00 0.00 H new ATOM 1380 N ILE A 91 -10.976 -3.656 3.621 1.00 0.00 N ATOM 1381 CA ILE A 91 -12.375 -4.132 3.494 1.00 0.00 C ATOM 1382 C ILE A 91 -13.266 -2.912 3.285 1.00 0.00 C ATOM 1383 O ILE A 91 -12.819 -1.789 3.398 1.00 0.00 O ATOM 1384 CB ILE A 91 -12.789 -4.866 4.769 1.00 0.00 C ATOM 1385 CG1 ILE A 91 -11.874 -6.075 4.980 1.00 0.00 C ATOM 1386 CG2 ILE A 91 -14.234 -5.340 4.629 1.00 0.00 C ATOM 1387 CD1 ILE A 91 -11.917 -6.499 6.449 1.00 0.00 C ATOM 0 H ILE A 91 -10.809 -3.011 4.393 1.00 0.00 H new ATOM 0 HA ILE A 91 -12.470 -4.820 2.654 1.00 0.00 H new ATOM 0 HB ILE A 91 -12.705 -4.194 5.623 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -12.192 -6.900 4.343 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -10.853 -5.826 4.692 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -14.534 -5.864 5.536 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -14.886 -4.480 4.474 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -14.315 -6.014 3.776 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -11.265 -7.360 6.598 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -11.578 -5.674 7.076 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -12.938 -6.766 6.721 1.00 0.00 H new ATOM 1399 N VAL A 92 -14.512 -3.103 2.964 1.00 0.00 N ATOM 1400 CA VAL A 92 -15.382 -1.923 2.737 1.00 0.00 C ATOM 1401 C VAL A 92 -16.679 -2.054 3.530 1.00 0.00 C ATOM 1402 O VAL A 92 -17.178 -3.138 3.759 1.00 0.00 O ATOM 1403 CB VAL A 92 -15.687 -1.823 1.249 1.00 0.00 C ATOM 1404 CG1 VAL A 92 -16.357 -0.482 0.947 1.00 0.00 C ATOM 1405 CG2 VAL A 92 -14.372 -1.932 0.475 1.00 0.00 C ATOM 0 H VAL A 92 -14.960 -4.012 2.850 1.00 0.00 H new ATOM 0 HA VAL A 92 -14.869 -1.022 3.074 1.00 0.00 H new ATOM 0 HB VAL A 92 -16.362 -2.626 0.952 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -16.573 -0.415 -0.119 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -17.286 -0.404 1.511 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.690 0.331 1.233 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -14.572 -1.862 -0.594 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -13.706 -1.122 0.773 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -13.899 -2.889 0.694 1.00 0.00 H new ATOM 1415 N GLN A 93 -17.227 -0.948 3.953 1.00 0.00 N ATOM 1416 CA GLN A 93 -18.494 -0.993 4.735 1.00 0.00 C ATOM 1417 C GLN A 93 -19.557 -0.145 4.034 1.00 0.00 C ATOM 1418 O GLN A 93 -20.194 -0.658 3.129 1.00 0.00 O ATOM 1419 CB GLN A 93 -18.244 -0.441 6.140 1.00 0.00 C ATOM 1420 CG GLN A 93 -17.060 -1.175 6.773 1.00 0.00 C ATOM 1421 CD GLN A 93 -16.778 -0.593 8.160 1.00 0.00 C ATOM 1422 OE1 GLN A 93 -16.148 0.438 8.282 1.00 0.00 O ATOM 1423 NE2 GLN A 93 -17.222 -1.216 9.217 1.00 0.00 N ATOM 1424 OXT GLN A 93 -19.715 1.004 4.413 1.00 0.00 O ATOM 0 H GLN A 93 -16.851 -0.014 3.790 1.00 0.00 H new ATOM 0 HA GLN A 93 -18.842 -2.024 4.806 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -18.039 0.628 6.091 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -19.135 -0.567 6.756 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -17.279 -2.240 6.852 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -16.178 -1.077 6.140 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -17.751 -2.082 9.114 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -17.040 -0.837 10.146 1.00 0.00 H new TER 1433 GLN A 93