USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 680 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 ASN : amide:sc= -0.41 K(o=-0.77,f=-0.034) USER MOD Set 1.2: A 67 ASN : amide:sc= -0.359 K(o=-0.77,f=-0.021) USER MOD Single : A 3 LYS NZ :NH3+ 155:sc= -0.122 (180deg=-0.961) USER MOD Single : A 4 ASN : amide:sc= -3.25 K(o=-3.3,f=-0.39) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -1.23 X(o=-1.2,f=-1.4!) USER MOD Single : A 25 CYS SG : rot 180:sc= -1.16 USER MOD Single : A 26 GLN : amide:sc= -1.63 K(o=-1.6,f=-2.9!) USER MOD Single : A 28 SER OG : rot 114:sc= 0.0563 USER MOD Single : A 29 GLN : amide:sc= -0.854 K(o=-0.85,f=-1.4) USER MOD Single : A 35 HIS : no HE2:sc= -0.55 K(o=-0.55,f=-1.5!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -42:sc= 0.457! USER MOD Single : A 47 SER OG : rot 180:sc= 0.52 USER MOD Single : A 57 ASN : amide:sc= -5.03! C(o=-5!,f=-2.9!) USER MOD Single : A 61 HIS : no HD1:sc= -1.71 K(o=-1.7,f=-2.6!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc=-0.00238 K(o=-0.0024,f=-1.6!) USER MOD Single : A 73 SER OG : rot -85:sc= 0.637 USER MOD Single : A 74 CYS SG : rot -20:sc= 0.303! USER MOD Single : A 77 THR OG1 : rot 180:sc=-0.00232 USER MOD Single : A 83 MET CE :methyl -130:sc= -2.47 (180deg=-4.42!) USER MOD Single : A 85 THR OG1 : rot -20:sc= -0.715! USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 24:sc= -0.267 USER MOD ----------------------------------------------------------------- ATOM 27 N LYS A 3 56.621 3.888 -2.101 1.00 0.00 N ATOM 28 CA LYS A 3 57.289 5.173 -1.978 1.00 0.00 C ATOM 29 C LYS A 3 58.752 4.976 -1.626 1.00 0.00 C ATOM 30 O LYS A 3 59.076 4.306 -0.647 1.00 0.00 O ATOM 31 CB LYS A 3 56.633 6.008 -0.880 1.00 0.00 C ATOM 32 CG LYS A 3 57.081 7.462 -1.026 1.00 0.00 C ATOM 33 CD LYS A 3 56.429 8.309 0.058 1.00 0.00 C ATOM 34 CE LYS A 3 56.819 9.769 -0.156 1.00 0.00 C ATOM 35 NZ LYS A 3 56.320 10.222 -1.486 1.00 0.00 N1+ ATOM 0 HA LYS A 3 57.206 5.689 -2.935 1.00 0.00 H new ATOM 0 HB2 LYS A 3 55.548 5.939 -0.953 1.00 0.00 H new ATOM 0 HB3 LYS A 3 56.912 5.625 0.102 1.00 0.00 H new ATOM 0 HG2 LYS A 3 58.166 7.528 -0.950 1.00 0.00 H new ATOM 0 HG3 LYS A 3 56.807 7.840 -2.011 1.00 0.00 H new ATOM 0 HD2 LYS A 3 55.345 8.199 0.022 1.00 0.00 H new ATOM 0 HD3 LYS A 3 56.751 7.973 1.044 1.00 0.00 H new ATOM 0 HE2 LYS A 3 56.397 10.390 0.634 1.00 0.00 H new ATOM 0 HE3 LYS A 3 57.902 9.880 -0.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 56.193 11.254 -1.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 57.009 9.966 -2.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 55.409 9.763 -1.690 1.00 0.00 H new ATOM 49 N ASN A 4 59.637 5.582 -2.407 1.00 0.00 N ATOM 50 CA ASN A 4 61.065 5.480 -2.149 1.00 0.00 C ATOM 51 C ASN A 4 61.751 6.776 -2.547 1.00 0.00 C ATOM 52 O ASN A 4 61.859 7.087 -3.733 1.00 0.00 O ATOM 53 CB ASN A 4 61.653 4.319 -2.939 1.00 0.00 C ATOM 54 CG ASN A 4 61.192 4.404 -4.390 1.00 0.00 C ATOM 55 OD1 ASN A 4 61.988 4.710 -5.281 1.00 0.00 O ATOM 56 ND2 ASN A 4 59.947 4.145 -4.681 1.00 0.00 N ATOM 0 H ASN A 4 59.392 6.146 -3.220 1.00 0.00 H new ATOM 0 HA ASN A 4 61.225 5.302 -1.086 1.00 0.00 H new ATOM 0 HB2 ASN A 4 62.742 4.347 -2.890 1.00 0.00 H new ATOM 0 HB3 ASN A 4 61.338 3.372 -2.502 1.00 0.00 H new ATOM 0 HD21 ASN A 4 59.628 4.195 -5.649 1.00 0.00 H new ATOM 0 HD22 ASN A 4 59.292 3.892 -3.941 1.00 0.00 H new ATOM 63 N THR A 5 62.212 7.539 -1.556 1.00 0.00 N ATOM 64 CA THR A 5 62.892 8.811 -1.834 1.00 0.00 C ATOM 65 C THR A 5 64.111 8.980 -0.925 1.00 0.00 C ATOM 66 O THR A 5 63.985 9.086 0.290 1.00 0.00 O ATOM 67 CB THR A 5 61.907 9.979 -1.640 1.00 0.00 C ATOM 68 OG1 THR A 5 60.915 9.935 -2.654 1.00 0.00 O ATOM 69 CG2 THR A 5 62.637 11.316 -1.739 1.00 0.00 C ATOM 0 H THR A 5 62.131 7.306 -0.566 1.00 0.00 H new ATOM 0 HA THR A 5 63.239 8.808 -2.867 1.00 0.00 H new ATOM 0 HB THR A 5 61.451 9.885 -0.654 1.00 0.00 H new ATOM 0 HG1 THR A 5 60.287 10.677 -2.530 1.00 0.00 H new ATOM 0 HG21 THR A 5 61.926 12.130 -1.600 1.00 0.00 H new ATOM 0 HG22 THR A 5 63.405 11.369 -0.968 1.00 0.00 H new ATOM 0 HG23 THR A 5 63.102 11.405 -2.721 1.00 0.00 H new ATOM 77 N VAL A 6 65.297 8.988 -1.522 1.00 0.00 N ATOM 78 CA VAL A 6 66.522 9.128 -0.741 1.00 0.00 C ATOM 79 C VAL A 6 66.590 10.504 -0.086 1.00 0.00 C ATOM 80 O VAL A 6 66.371 11.528 -0.733 1.00 0.00 O ATOM 81 CB VAL A 6 67.751 8.902 -1.629 1.00 0.00 C ATOM 82 CG1 VAL A 6 67.880 10.033 -2.647 1.00 0.00 C ATOM 83 CG2 VAL A 6 69.016 8.848 -0.764 1.00 0.00 C ATOM 0 H VAL A 6 65.437 8.901 -2.529 1.00 0.00 H new ATOM 0 HA VAL A 6 66.514 8.373 0.045 1.00 0.00 H new ATOM 0 HB VAL A 6 67.632 7.956 -2.158 1.00 0.00 H new ATOM 0 HG11 VAL A 6 68.756 9.862 -3.272 1.00 0.00 H new ATOM 0 HG12 VAL A 6 66.988 10.063 -3.273 1.00 0.00 H new ATOM 0 HG13 VAL A 6 67.988 10.983 -2.124 1.00 0.00 H new ATOM 0 HG21 VAL A 6 69.886 8.687 -1.401 1.00 0.00 H new ATOM 0 HG22 VAL A 6 69.129 9.789 -0.226 1.00 0.00 H new ATOM 0 HG23 VAL A 6 68.933 8.029 -0.049 1.00 0.00 H new ATOM 93 N VAL A 7 66.911 10.510 1.207 1.00 0.00 N ATOM 94 CA VAL A 7 67.035 11.748 1.971 1.00 0.00 C ATOM 95 C VAL A 7 68.480 12.209 1.922 1.00 0.00 C ATOM 96 O VAL A 7 68.771 13.398 1.786 1.00 0.00 O ATOM 97 CB VAL A 7 66.620 11.519 3.427 1.00 0.00 C ATOM 98 CG1 VAL A 7 66.722 12.836 4.201 1.00 0.00 C ATOM 99 CG2 VAL A 7 65.179 11.008 3.478 1.00 0.00 C ATOM 0 H VAL A 7 67.091 9.665 1.749 1.00 0.00 H new ATOM 0 HA VAL A 7 66.383 12.507 1.539 1.00 0.00 H new ATOM 0 HB VAL A 7 67.282 10.779 3.878 1.00 0.00 H new ATOM 0 HG11 VAL A 7 66.427 12.673 5.237 1.00 0.00 H new ATOM 0 HG12 VAL A 7 67.750 13.198 4.169 1.00 0.00 H new ATOM 0 HG13 VAL A 7 66.063 13.576 3.748 1.00 0.00 H new ATOM 0 HG21 VAL A 7 64.887 10.846 4.516 1.00 0.00 H new ATOM 0 HG22 VAL A 7 64.515 11.745 3.025 1.00 0.00 H new ATOM 0 HG23 VAL A 7 65.106 10.069 2.930 1.00 0.00 H new ATOM 109 N ARG A 8 69.387 11.239 2.027 1.00 0.00 N ATOM 110 CA ARG A 8 70.813 11.509 1.977 1.00 0.00 C ATOM 111 C ARG A 8 71.500 10.436 1.138 1.00 0.00 C ATOM 112 O ARG A 8 71.241 9.244 1.294 1.00 0.00 O ATOM 113 CB ARG A 8 71.396 11.576 3.414 1.00 0.00 C ATOM 114 CG ARG A 8 72.802 10.963 3.469 1.00 0.00 C ATOM 115 CD ARG A 8 73.435 11.274 4.827 1.00 0.00 C ATOM 116 NE ARG A 8 73.688 12.706 4.929 1.00 0.00 N ATOM 117 CZ ARG A 8 74.191 13.235 6.035 1.00 0.00 C ATOM 118 NH1 ARG A 8 74.697 12.460 6.952 1.00 0.00 N ATOM 119 NH2 ARG A 8 74.173 14.528 6.209 1.00 0.00 N1+ ATOM 0 H ARG A 8 69.152 10.254 2.148 1.00 0.00 H new ATOM 0 HA ARG A 8 70.991 12.477 1.508 1.00 0.00 H new ATOM 0 HB2 ARG A 8 71.435 12.613 3.746 1.00 0.00 H new ATOM 0 HB3 ARG A 8 70.738 11.046 4.102 1.00 0.00 H new ATOM 0 HG2 ARG A 8 72.748 9.885 3.318 1.00 0.00 H new ATOM 0 HG3 ARG A 8 73.419 11.366 2.666 1.00 0.00 H new ATOM 0 HD2 ARG A 8 72.773 10.953 5.631 1.00 0.00 H new ATOM 0 HD3 ARG A 8 74.367 10.720 4.941 1.00 0.00 H new ATOM 0 HE ARG A 8 73.474 13.311 4.136 1.00 0.00 H new ATOM 0 HH11 ARG A 8 74.705 11.449 6.818 1.00 0.00 H new ATOM 0 HH12 ARG A 8 75.085 12.864 7.804 1.00 0.00 H new ATOM 0 HH21 ARG A 8 73.771 15.133 5.493 1.00 0.00 H new ATOM 0 HH22 ARG A 8 74.561 14.933 7.061 1.00 0.00 H new ATOM 133 N GLY A 9 72.391 10.878 0.267 1.00 0.00 N ATOM 134 CA GLY A 9 73.143 9.975 -0.590 1.00 0.00 C ATOM 135 C GLY A 9 74.487 9.645 0.057 1.00 0.00 C ATOM 136 O GLY A 9 74.703 9.940 1.234 1.00 0.00 O ATOM 0 H GLY A 9 72.613 11.865 0.134 1.00 0.00 H new ATOM 0 HA2 GLY A 9 72.575 9.060 -0.756 1.00 0.00 H new ATOM 0 HA3 GLY A 9 73.302 10.433 -1.566 1.00 0.00 H new ATOM 140 N LEU A 10 75.390 9.044 -0.710 1.00 0.00 N ATOM 141 CA LEU A 10 76.711 8.692 -0.192 1.00 0.00 C ATOM 142 C LEU A 10 77.614 9.919 -0.129 1.00 0.00 C ATOM 143 O LEU A 10 77.299 10.965 -0.696 1.00 0.00 O ATOM 144 CB LEU A 10 77.343 7.632 -1.090 1.00 0.00 C ATOM 145 CG LEU A 10 76.518 6.334 -0.999 1.00 0.00 C ATOM 146 CD1 LEU A 10 76.729 5.502 -2.263 1.00 0.00 C ATOM 147 CD2 LEU A 10 76.956 5.505 0.215 1.00 0.00 C ATOM 0 H LEU A 10 75.235 8.791 -1.686 1.00 0.00 H new ATOM 0 HA LEU A 10 76.596 8.299 0.818 1.00 0.00 H new ATOM 0 HB2 LEU A 10 77.376 7.984 -2.121 1.00 0.00 H new ATOM 0 HB3 LEU A 10 78.372 7.445 -0.784 1.00 0.00 H new ATOM 0 HG LEU A 10 75.466 6.600 -0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 10 76.145 4.584 -2.196 1.00 0.00 H new ATOM 0 HD12 LEU A 10 76.408 6.074 -3.133 1.00 0.00 H new ATOM 0 HD13 LEU A 10 77.785 5.253 -2.362 1.00 0.00 H new ATOM 0 HD21 LEU A 10 76.363 4.592 0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 10 78.011 5.248 0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 10 76.805 6.085 1.125 1.00 0.00 H new ATOM 159 N GLU A 11 78.739 9.784 0.571 1.00 0.00 N ATOM 160 CA GLU A 11 79.695 10.882 0.709 1.00 0.00 C ATOM 161 C GLU A 11 81.123 10.357 0.636 1.00 0.00 C ATOM 162 O GLU A 11 81.357 9.159 0.752 1.00 0.00 O ATOM 163 CB GLU A 11 79.470 11.604 2.038 1.00 0.00 C ATOM 164 CG GLU A 11 79.830 10.692 3.217 1.00 0.00 C ATOM 165 CD GLU A 11 79.542 11.425 4.520 1.00 0.00 C ATOM 166 OE1 GLU A 11 79.265 12.611 4.457 1.00 0.00 O1- ATOM 167 OE2 GLU A 11 79.609 10.797 5.561 1.00 0.00 O ATOM 0 H GLU A 11 79.011 8.926 1.051 1.00 0.00 H new ATOM 0 HA GLU A 11 79.541 11.584 -0.110 1.00 0.00 H new ATOM 0 HB2 GLU A 11 80.076 12.509 2.073 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.428 11.915 2.117 1.00 0.00 H new ATOM 0 HG2 GLU A 11 79.252 9.769 3.169 1.00 0.00 H new ATOM 0 HG3 GLU A 11 80.882 10.412 3.168 1.00 0.00 H new ATOM 174 N ASN A 12 82.071 11.264 0.455 1.00 0.00 N ATOM 175 CA ASN A 12 83.473 10.874 0.381 1.00 0.00 C ATOM 176 C ASN A 12 83.906 10.174 1.670 1.00 0.00 C ATOM 177 O ASN A 12 83.492 10.558 2.764 1.00 0.00 O ATOM 178 CB ASN A 12 84.340 12.107 0.136 1.00 0.00 C ATOM 179 CG ASN A 12 84.000 13.191 1.150 1.00 0.00 C ATOM 180 OD1 ASN A 12 84.093 12.967 2.357 1.00 0.00 O ATOM 181 ND2 ASN A 12 83.598 14.357 0.726 1.00 0.00 N ATOM 0 H ASN A 12 81.899 12.265 0.357 1.00 0.00 H new ATOM 0 HA ASN A 12 83.599 10.177 -0.447 1.00 0.00 H new ATOM 0 HB2 ASN A 12 85.394 11.842 0.214 1.00 0.00 H new ATOM 0 HB3 ASN A 12 84.179 12.480 -0.875 1.00 0.00 H new ATOM 0 HD21 ASN A 12 83.359 15.088 1.395 1.00 0.00 H new ATOM 0 HD22 ASN A 12 83.523 14.537 -0.275 1.00 0.00 H new ATOM 188 N VAL A 13 84.770 9.163 1.530 1.00 0.00 N ATOM 189 CA VAL A 13 85.290 8.417 2.693 1.00 0.00 C ATOM 190 C VAL A 13 86.809 8.272 2.597 1.00 0.00 C ATOM 191 O VAL A 13 87.348 7.956 1.535 1.00 0.00 O ATOM 192 CB VAL A 13 84.620 7.033 2.773 1.00 0.00 C ATOM 193 CG1 VAL A 13 85.331 6.143 3.804 1.00 0.00 C ATOM 194 CG2 VAL A 13 83.158 7.205 3.189 1.00 0.00 C ATOM 0 H VAL A 13 85.126 8.840 0.630 1.00 0.00 H new ATOM 0 HA VAL A 13 85.056 8.972 3.601 1.00 0.00 H new ATOM 0 HB VAL A 13 84.684 6.558 1.794 1.00 0.00 H new ATOM 0 HG11 VAL A 13 84.841 5.170 3.844 1.00 0.00 H new ATOM 0 HG12 VAL A 13 86.374 6.013 3.515 1.00 0.00 H new ATOM 0 HG13 VAL A 13 85.283 6.614 4.786 1.00 0.00 H new ATOM 0 HG21 VAL A 13 82.679 6.228 3.247 1.00 0.00 H new ATOM 0 HG22 VAL A 13 83.112 7.690 4.164 1.00 0.00 H new ATOM 0 HG23 VAL A 13 82.640 7.820 2.453 1.00 0.00 H new ATOM 204 N GLU A 14 87.499 8.530 3.714 1.00 0.00 N ATOM 205 CA GLU A 14 88.967 8.446 3.757 1.00 0.00 C ATOM 206 C GLU A 14 89.431 7.554 4.916 1.00 0.00 C ATOM 207 O GLU A 14 88.970 7.704 6.047 1.00 0.00 O ATOM 208 CB GLU A 14 89.565 9.853 3.935 1.00 0.00 C ATOM 209 CG GLU A 14 89.264 10.730 2.707 1.00 0.00 C ATOM 210 CD GLU A 14 87.863 11.337 2.796 1.00 0.00 C ATOM 211 OE1 GLU A 14 87.145 10.999 3.721 1.00 0.00 O1- ATOM 212 OE2 GLU A 14 87.531 12.134 1.931 1.00 0.00 O ATOM 0 H GLU A 14 87.068 8.798 4.599 1.00 0.00 H new ATOM 0 HA GLU A 14 89.309 8.011 2.818 1.00 0.00 H new ATOM 0 HB2 GLU A 14 89.153 10.318 4.830 1.00 0.00 H new ATOM 0 HB3 GLU A 14 90.643 9.780 4.081 1.00 0.00 H new ATOM 0 HG2 GLU A 14 90.005 11.526 2.634 1.00 0.00 H new ATOM 0 HG3 GLU A 14 89.348 10.132 1.799 1.00 0.00 H new ATOM 219 N ALA A 15 90.350 6.625 4.626 1.00 0.00 N ATOM 220 CA ALA A 15 90.867 5.724 5.662 1.00 0.00 C ATOM 221 C ALA A 15 92.228 5.148 5.269 1.00 0.00 C ATOM 222 O ALA A 15 92.485 4.879 4.099 1.00 0.00 O ATOM 223 CB ALA A 15 89.882 4.580 5.885 1.00 0.00 C ATOM 0 H ALA A 15 90.746 6.479 3.697 1.00 0.00 H new ATOM 0 HA ALA A 15 90.988 6.299 6.580 1.00 0.00 H new ATOM 0 HB1 ALA A 15 90.268 3.912 6.655 1.00 0.00 H new ATOM 0 HB2 ALA A 15 88.921 4.984 6.204 1.00 0.00 H new ATOM 0 HB3 ALA A 15 89.752 4.025 4.956 1.00 0.00 H new ATOM 229 N LEU A 16 93.099 4.965 6.259 1.00 0.00 N ATOM 230 CA LEU A 16 94.434 4.426 6.006 1.00 0.00 C ATOM 231 C LEU A 16 94.397 2.921 5.805 1.00 0.00 C ATOM 232 O LEU A 16 93.430 2.248 6.164 1.00 0.00 O ATOM 233 CB LEU A 16 95.384 4.779 7.167 1.00 0.00 C ATOM 234 CG LEU A 16 95.863 6.243 7.024 1.00 0.00 C ATOM 235 CD1 LEU A 16 96.207 6.830 8.401 1.00 0.00 C ATOM 236 CD2 LEU A 16 97.115 6.303 6.122 1.00 0.00 C ATOM 0 H LEU A 16 92.907 5.180 7.237 1.00 0.00 H new ATOM 0 HA LEU A 16 94.805 4.881 5.088 1.00 0.00 H new ATOM 0 HB2 LEU A 16 94.873 4.645 8.121 1.00 0.00 H new ATOM 0 HB3 LEU A 16 96.240 4.105 7.166 1.00 0.00 H new ATOM 0 HG LEU A 16 95.059 6.826 6.575 1.00 0.00 H new ATOM 0 HD11 LEU A 16 96.542 7.860 8.284 1.00 0.00 H new ATOM 0 HD12 LEU A 16 95.323 6.806 9.038 1.00 0.00 H new ATOM 0 HD13 LEU A 16 97.000 6.240 8.860 1.00 0.00 H new ATOM 0 HD21 LEU A 16 97.446 7.337 6.027 1.00 0.00 H new ATOM 0 HD22 LEU A 16 97.912 5.707 6.566 1.00 0.00 H new ATOM 0 HD23 LEU A 16 96.872 5.907 5.136 1.00 0.00 H new ATOM 248 N GLU A 17 95.464 2.403 5.219 1.00 0.00 N ATOM 249 CA GLU A 17 95.563 0.973 4.960 1.00 0.00 C ATOM 250 C GLU A 17 95.048 0.172 6.159 1.00 0.00 C ATOM 251 O GLU A 17 95.123 0.631 7.298 1.00 0.00 O ATOM 252 CB GLU A 17 97.015 0.614 4.677 1.00 0.00 C ATOM 253 CG GLU A 17 97.109 -0.845 4.246 1.00 0.00 C ATOM 254 CD GLU A 17 98.550 -1.174 3.885 1.00 0.00 C ATOM 255 OE1 GLU A 17 99.418 -0.384 4.221 1.00 0.00 O ATOM 256 OE2 GLU A 17 98.764 -2.207 3.272 1.00 0.00 O1- ATOM 0 H GLU A 17 96.271 2.947 4.914 1.00 0.00 H new ATOM 0 HA GLU A 17 94.949 0.724 4.094 1.00 0.00 H new ATOM 0 HB2 GLU A 17 97.414 1.261 3.895 1.00 0.00 H new ATOM 0 HB3 GLU A 17 97.621 0.780 5.568 1.00 0.00 H new ATOM 0 HG2 GLU A 17 96.766 -1.496 5.050 1.00 0.00 H new ATOM 0 HG3 GLU A 17 96.458 -1.026 3.391 1.00 0.00 H new ATOM 263 N GLY A 18 94.521 -1.020 5.897 1.00 0.00 N ATOM 264 CA GLY A 18 93.993 -1.856 6.969 1.00 0.00 C ATOM 265 C GLY A 18 93.007 -1.066 7.822 1.00 0.00 C ATOM 266 O GLY A 18 92.775 -1.392 8.986 1.00 0.00 O ATOM 0 H GLY A 18 94.448 -1.425 4.964 1.00 0.00 H new ATOM 0 HA2 GLY A 18 93.499 -2.731 6.547 1.00 0.00 H new ATOM 0 HA3 GLY A 18 94.811 -2.221 7.591 1.00 0.00 H new ATOM 270 N GLY A 19 92.444 -0.009 7.238 1.00 0.00 N ATOM 271 CA GLY A 19 91.496 0.839 7.956 1.00 0.00 C ATOM 272 C GLY A 19 90.075 0.311 7.841 1.00 0.00 C ATOM 273 O GLY A 19 89.835 -0.754 7.270 1.00 0.00 O ATOM 0 H GLY A 19 92.627 0.278 6.277 1.00 0.00 H new ATOM 0 HA2 GLY A 19 91.780 0.895 9.007 1.00 0.00 H new ATOM 0 HA3 GLY A 19 91.541 1.853 7.559 1.00 0.00 H new ATOM 277 N GLU A 20 89.134 1.075 8.393 1.00 0.00 N ATOM 278 CA GLU A 20 87.719 0.712 8.365 1.00 0.00 C ATOM 279 C GLU A 20 86.919 1.819 7.678 1.00 0.00 C ATOM 280 O GLU A 20 87.247 3.000 7.804 1.00 0.00 O ATOM 281 CB GLU A 20 87.210 0.513 9.794 1.00 0.00 C ATOM 282 CG GLU A 20 85.773 0.001 9.745 1.00 0.00 C ATOM 283 CD GLU A 20 85.248 -0.239 11.155 1.00 0.00 C ATOM 284 OE1 GLU A 20 86.054 -0.280 12.066 1.00 0.00 O ATOM 285 OE2 GLU A 20 84.045 -0.383 11.299 1.00 0.00 O1- ATOM 0 H GLU A 20 89.329 1.956 8.869 1.00 0.00 H new ATOM 0 HA GLU A 20 87.595 -0.217 7.809 1.00 0.00 H new ATOM 0 HB2 GLU A 20 87.845 -0.197 10.324 1.00 0.00 H new ATOM 0 HB3 GLU A 20 87.256 1.453 10.344 1.00 0.00 H new ATOM 0 HG2 GLU A 20 85.139 0.725 9.232 1.00 0.00 H new ATOM 0 HG3 GLU A 20 85.729 -0.925 9.171 1.00 0.00 H new ATOM 292 N ALA A 21 85.873 1.437 6.944 1.00 0.00 N ATOM 293 CA ALA A 21 85.044 2.418 6.236 1.00 0.00 C ATOM 294 C ALA A 21 83.573 2.072 6.376 1.00 0.00 C ATOM 295 O ALA A 21 83.185 0.908 6.286 1.00 0.00 O ATOM 296 CB ALA A 21 85.415 2.436 4.751 1.00 0.00 C ATOM 0 H ALA A 21 85.581 0.467 6.824 1.00 0.00 H new ATOM 0 HA ALA A 21 85.223 3.400 6.674 1.00 0.00 H new ATOM 0 HB1 ALA A 21 84.796 3.166 4.230 1.00 0.00 H new ATOM 0 HB2 ALA A 21 86.465 2.706 4.642 1.00 0.00 H new ATOM 0 HB3 ALA A 21 85.248 1.448 4.322 1.00 0.00 H new ATOM 302 N LEU A 22 82.753 3.092 6.604 1.00 0.00 N ATOM 303 CA LEU A 22 81.317 2.892 6.762 1.00 0.00 C ATOM 304 C LEU A 22 80.554 3.982 6.016 1.00 0.00 C ATOM 305 O LEU A 22 80.877 5.166 6.117 1.00 0.00 O ATOM 306 CB LEU A 22 80.924 2.867 8.266 1.00 0.00 C ATOM 307 CG LEU A 22 82.024 3.495 9.135 1.00 0.00 C ATOM 308 CD1 LEU A 22 82.088 5.002 8.858 1.00 0.00 C ATOM 309 CD2 LEU A 22 81.684 3.248 10.612 1.00 0.00 C ATOM 0 H LEU A 22 83.057 4.063 6.683 1.00 0.00 H new ATOM 0 HA LEU A 22 81.049 1.926 6.334 1.00 0.00 H new ATOM 0 HB2 LEU A 22 79.989 3.408 8.410 1.00 0.00 H new ATOM 0 HB3 LEU A 22 80.749 1.839 8.582 1.00 0.00 H new ATOM 0 HG LEU A 22 82.991 3.049 8.902 1.00 0.00 H new ATOM 0 HD11 LEU A 22 82.867 5.452 9.473 1.00 0.00 H new ATOM 0 HD12 LEU A 22 82.314 5.169 7.805 1.00 0.00 H new ATOM 0 HD13 LEU A 22 81.128 5.457 9.099 1.00 0.00 H new ATOM 0 HD21 LEU A 22 82.457 3.689 11.242 1.00 0.00 H new ATOM 0 HD22 LEU A 22 80.722 3.704 10.845 1.00 0.00 H new ATOM 0 HD23 LEU A 22 81.632 2.175 10.799 1.00 0.00 H new ATOM 321 N PHE A 23 79.538 3.564 5.266 1.00 0.00 N ATOM 322 CA PHE A 23 78.718 4.498 4.495 1.00 0.00 C ATOM 323 C PHE A 23 77.314 4.568 5.070 1.00 0.00 C ATOM 324 O PHE A 23 76.535 3.617 4.944 1.00 0.00 O ATOM 325 CB PHE A 23 78.628 4.045 3.033 1.00 0.00 C ATOM 326 CG PHE A 23 79.923 4.342 2.318 1.00 0.00 C ATOM 327 CD1 PHE A 23 80.128 5.602 1.745 1.00 0.00 C ATOM 328 CD2 PHE A 23 80.917 3.360 2.221 1.00 0.00 C ATOM 329 CE1 PHE A 23 81.323 5.881 1.075 1.00 0.00 C ATOM 330 CE2 PHE A 23 82.115 3.642 1.550 1.00 0.00 C ATOM 331 CZ PHE A 23 82.316 4.904 0.977 1.00 0.00 C ATOM 0 H PHE A 23 79.262 2.586 5.175 1.00 0.00 H new ATOM 0 HA PHE A 23 79.186 5.481 4.548 1.00 0.00 H new ATOM 0 HB2 PHE A 23 78.415 2.977 2.987 1.00 0.00 H new ATOM 0 HB3 PHE A 23 77.803 4.556 2.536 1.00 0.00 H new ATOM 0 HD1 PHE A 23 79.362 6.360 1.820 1.00 0.00 H new ATOM 0 HD2 PHE A 23 80.761 2.387 2.663 1.00 0.00 H new ATOM 0 HE1 PHE A 23 81.478 6.854 0.632 1.00 0.00 H new ATOM 0 HE2 PHE A 23 82.883 2.886 1.475 1.00 0.00 H new ATOM 0 HZ PHE A 23 83.239 5.122 0.460 1.00 0.00 H new ATOM 341 N GLU A 24 77.003 5.688 5.720 1.00 0.00 N ATOM 342 CA GLU A 24 75.691 5.867 6.331 1.00 0.00 C ATOM 343 C GLU A 24 74.742 6.616 5.399 1.00 0.00 C ATOM 344 O GLU A 24 74.842 7.833 5.231 1.00 0.00 O ATOM 345 CB GLU A 24 75.826 6.648 7.641 1.00 0.00 C ATOM 346 CG GLU A 24 76.430 5.752 8.728 1.00 0.00 C ATOM 347 CD GLU A 24 77.899 5.459 8.435 1.00 0.00 C ATOM 348 OE1 GLU A 24 78.160 4.640 7.567 1.00 0.00 O1- ATOM 349 OE2 GLU A 24 78.743 6.051 9.092 1.00 0.00 O ATOM 0 H GLU A 24 77.637 6.478 5.836 1.00 0.00 H new ATOM 0 HA GLU A 24 75.278 4.877 6.527 1.00 0.00 H new ATOM 0 HB2 GLU A 24 76.457 7.523 7.488 1.00 0.00 H new ATOM 0 HB3 GLU A 24 74.849 7.011 7.959 1.00 0.00 H new ATOM 0 HG2 GLU A 24 76.338 6.239 9.699 1.00 0.00 H new ATOM 0 HG3 GLU A 24 75.873 4.817 8.786 1.00 0.00 H new ATOM 356 N CYS A 25 73.808 5.863 4.818 1.00 0.00 N ATOM 357 CA CYS A 25 72.794 6.414 3.914 1.00 0.00 C ATOM 358 C CYS A 25 71.447 6.447 4.631 1.00 0.00 C ATOM 359 O CYS A 25 71.257 5.771 5.644 1.00 0.00 O ATOM 360 CB CYS A 25 72.681 5.543 2.655 1.00 0.00 C ATOM 361 SG CYS A 25 74.336 5.076 2.089 1.00 0.00 S ATOM 0 H CYS A 25 73.732 4.856 4.959 1.00 0.00 H new ATOM 0 HA CYS A 25 73.084 7.424 3.622 1.00 0.00 H new ATOM 0 HB2 CYS A 25 72.094 4.650 2.870 1.00 0.00 H new ATOM 0 HB3 CYS A 25 72.157 6.088 1.869 1.00 0.00 H new ATOM 0 HG CYS A 25 74.238 4.337 1.024 1.00 0.00 H new ATOM 367 N GLN A 26 70.522 7.242 4.102 1.00 0.00 N ATOM 368 CA GLN A 26 69.186 7.378 4.694 1.00 0.00 C ATOM 369 C GLN A 26 68.130 7.216 3.610 1.00 0.00 C ATOM 370 O GLN A 26 68.118 7.959 2.626 1.00 0.00 O ATOM 371 CB GLN A 26 69.068 8.757 5.330 1.00 0.00 C ATOM 372 CG GLN A 26 67.732 8.909 6.050 1.00 0.00 C ATOM 373 CD GLN A 26 67.656 7.948 7.232 1.00 0.00 C ATOM 374 OE1 GLN A 26 68.645 7.761 7.944 1.00 0.00 O ATOM 375 NE2 GLN A 26 66.537 7.333 7.489 1.00 0.00 N ATOM 0 H GLN A 26 70.669 7.804 3.264 1.00 0.00 H new ATOM 0 HA GLN A 26 69.035 6.610 5.453 1.00 0.00 H new ATOM 0 HB2 GLN A 26 69.885 8.908 6.035 1.00 0.00 H new ATOM 0 HB3 GLN A 26 69.162 9.526 4.563 1.00 0.00 H new ATOM 0 HG2 GLN A 26 67.613 9.935 6.398 1.00 0.00 H new ATOM 0 HG3 GLN A 26 66.913 8.711 5.358 1.00 0.00 H new ATOM 0 HE21 GLN A 26 65.721 7.490 6.898 1.00 0.00 H new ATOM 0 HE22 GLN A 26 66.477 6.694 8.282 1.00 0.00 H new ATOM 384 N LEU A 27 67.260 6.223 3.785 1.00 0.00 N ATOM 385 CA LEU A 27 66.212 5.930 2.803 1.00 0.00 C ATOM 386 C LEU A 27 64.798 6.133 3.342 1.00 0.00 C ATOM 387 O LEU A 27 64.432 5.606 4.395 1.00 0.00 O ATOM 388 CB LEU A 27 66.347 4.461 2.361 1.00 0.00 C ATOM 389 CG LEU A 27 67.306 4.321 1.172 1.00 0.00 C ATOM 390 CD1 LEU A 27 67.691 2.841 1.019 1.00 0.00 C ATOM 391 CD2 LEU A 27 66.620 4.818 -0.121 1.00 0.00 C ATOM 0 H LEU A 27 67.258 5.606 4.597 1.00 0.00 H new ATOM 0 HA LEU A 27 66.351 6.627 1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 27 66.709 3.860 3.195 1.00 0.00 H new ATOM 0 HB3 LEU A 27 65.367 4.070 2.088 1.00 0.00 H new ATOM 0 HG LEU A 27 68.199 4.921 1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 27 68.373 2.728 0.176 1.00 0.00 H new ATOM 0 HD12 LEU A 27 68.180 2.496 1.930 1.00 0.00 H new ATOM 0 HD13 LEU A 27 66.794 2.248 0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 27 67.308 4.715 -0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 27 65.726 4.224 -0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 27 66.342 5.866 -0.006 1.00 0.00 H new ATOM 403 N SER A 28 63.984 6.821 2.542 1.00 0.00 N ATOM 404 CA SER A 28 62.579 7.007 2.867 1.00 0.00 C ATOM 405 C SER A 28 61.821 5.836 2.248 1.00 0.00 C ATOM 406 O SER A 28 61.526 5.839 1.065 1.00 0.00 O ATOM 407 CB SER A 28 62.050 8.321 2.285 1.00 0.00 C ATOM 408 OG SER A 28 62.885 9.395 2.696 1.00 0.00 O ATOM 0 H SER A 28 64.277 7.256 1.667 1.00 0.00 H new ATOM 0 HA SER A 28 62.446 7.047 3.948 1.00 0.00 H new ATOM 0 HB2 SER A 28 62.023 8.264 1.197 1.00 0.00 H new ATOM 0 HB3 SER A 28 61.027 8.493 2.620 1.00 0.00 H new ATOM 0 HG SER A 28 63.337 9.776 1.914 1.00 0.00 H new ATOM 414 N GLN A 29 61.523 4.842 3.057 1.00 0.00 N ATOM 415 CA GLN A 29 60.814 3.647 2.620 1.00 0.00 C ATOM 416 C GLN A 29 60.901 2.616 3.760 1.00 0.00 C ATOM 417 O GLN A 29 61.999 2.148 4.075 1.00 0.00 O ATOM 418 CB GLN A 29 61.439 3.056 1.342 1.00 0.00 C ATOM 419 CG GLN A 29 62.979 3.129 1.398 1.00 0.00 C ATOM 420 CD GLN A 29 63.595 1.899 0.732 1.00 0.00 C ATOM 421 OE1 GLN A 29 64.645 1.424 1.154 1.00 0.00 O ATOM 422 NE2 GLN A 29 62.987 1.348 -0.282 1.00 0.00 N ATOM 0 H GLN A 29 61.766 4.836 4.048 1.00 0.00 H new ATOM 0 HA GLN A 29 59.779 3.901 2.390 1.00 0.00 H new ATOM 0 HB2 GLN A 29 61.124 2.019 1.224 1.00 0.00 H new ATOM 0 HB3 GLN A 29 61.077 3.600 0.470 1.00 0.00 H new ATOM 0 HG2 GLN A 29 63.325 4.033 0.897 1.00 0.00 H new ATOM 0 HG3 GLN A 29 63.309 3.193 2.435 1.00 0.00 H new ATOM 0 HE21 GLN A 29 62.114 1.745 -0.631 1.00 0.00 H new ATOM 0 HE22 GLN A 29 63.384 0.520 -0.726 1.00 0.00 H new ATOM 431 N PRO A 30 59.812 2.265 4.409 1.00 0.00 N ATOM 432 CA PRO A 30 59.873 1.295 5.536 1.00 0.00 C ATOM 433 C PRO A 30 60.352 -0.094 5.088 1.00 0.00 C ATOM 434 O PRO A 30 60.747 -0.914 5.917 1.00 0.00 O ATOM 435 CB PRO A 30 58.436 1.241 6.110 1.00 0.00 C ATOM 436 CG PRO A 30 57.581 2.176 5.286 1.00 0.00 C ATOM 437 CD PRO A 30 58.441 2.739 4.146 1.00 0.00 C ATOM 0 HA PRO A 30 60.599 1.612 6.285 1.00 0.00 H new ATOM 0 HB2 PRO A 30 58.044 0.225 6.067 1.00 0.00 H new ATOM 0 HB3 PRO A 30 58.431 1.540 7.158 1.00 0.00 H new ATOM 0 HG2 PRO A 30 56.718 1.646 4.884 1.00 0.00 H new ATOM 0 HG3 PRO A 30 57.197 2.985 5.907 1.00 0.00 H new ATOM 0 HD2 PRO A 30 58.085 2.389 3.177 1.00 0.00 H new ATOM 0 HD3 PRO A 30 58.400 3.828 4.126 1.00 0.00 H new ATOM 445 N GLU A 31 60.306 -0.363 3.781 1.00 0.00 N ATOM 446 CA GLU A 31 60.731 -1.668 3.264 1.00 0.00 C ATOM 447 C GLU A 31 61.264 -1.559 1.838 1.00 0.00 C ATOM 448 O GLU A 31 60.714 -0.822 1.019 1.00 0.00 O ATOM 449 CB GLU A 31 59.549 -2.641 3.289 1.00 0.00 C ATOM 450 CG GLU A 31 59.990 -4.015 2.770 1.00 0.00 C ATOM 451 CD GLU A 31 58.834 -5.003 2.863 1.00 0.00 C ATOM 452 OE1 GLU A 31 57.713 -4.559 3.030 1.00 0.00 O ATOM 453 OE2 GLU A 31 59.090 -6.191 2.770 1.00 0.00 O1- ATOM 0 H GLU A 31 59.984 0.294 3.070 1.00 0.00 H new ATOM 0 HA GLU A 31 61.535 -2.035 3.902 1.00 0.00 H new ATOM 0 HB2 GLU A 31 59.164 -2.733 4.305 1.00 0.00 H new ATOM 0 HB3 GLU A 31 58.736 -2.255 2.674 1.00 0.00 H new ATOM 0 HG2 GLU A 31 60.326 -3.932 1.736 1.00 0.00 H new ATOM 0 HG3 GLU A 31 60.837 -4.378 3.352 1.00 0.00 H new ATOM 496 N HIS A 35 66.104 -3.422 -5.040 1.00 0.00 N ATOM 497 CA HIS A 35 67.285 -2.574 -5.008 1.00 0.00 C ATOM 498 C HIS A 35 68.503 -3.327 -5.526 1.00 0.00 C ATOM 499 O HIS A 35 68.561 -4.554 -5.452 1.00 0.00 O ATOM 500 CB HIS A 35 67.545 -2.075 -3.583 1.00 0.00 C ATOM 501 CG HIS A 35 67.692 -3.228 -2.623 1.00 0.00 C ATOM 502 ND1 HIS A 35 66.652 -4.101 -2.341 1.00 0.00 N ATOM 503 CD2 HIS A 35 68.740 -3.628 -1.829 1.00 0.00 C ATOM 504 CE1 HIS A 35 67.091 -4.968 -1.408 1.00 0.00 C ATOM 505 NE2 HIS A 35 68.357 -4.723 -1.062 1.00 0.00 N ATOM 0 HA HIS A 35 67.105 -1.716 -5.656 1.00 0.00 H new ATOM 0 HB2 HIS A 35 68.449 -1.467 -3.567 1.00 0.00 H new ATOM 0 HB3 HIS A 35 66.724 -1.434 -3.263 1.00 0.00 H new ATOM 0 HD1 HIS A 35 65.724 -4.089 -2.763 1.00 0.00 H new ATOM 0 HD2 HIS A 35 69.714 -3.162 -1.804 1.00 0.00 H new ATOM 0 HE1 HIS A 35 66.492 -5.764 -0.991 1.00 0.00 H new ATOM 513 N THR A 36 69.476 -2.579 -6.048 1.00 0.00 N ATOM 514 CA THR A 36 70.710 -3.178 -6.572 1.00 0.00 C ATOM 515 C THR A 36 71.926 -2.425 -6.032 1.00 0.00 C ATOM 516 O THR A 36 72.030 -1.214 -6.189 1.00 0.00 O ATOM 517 CB THR A 36 70.713 -3.147 -8.103 1.00 0.00 C ATOM 518 OG1 THR A 36 69.543 -3.794 -8.590 1.00 0.00 O ATOM 519 CG2 THR A 36 71.957 -3.881 -8.620 1.00 0.00 C ATOM 0 H THR A 36 69.437 -1.562 -6.120 1.00 0.00 H new ATOM 0 HA THR A 36 70.759 -4.217 -6.245 1.00 0.00 H new ATOM 0 HB THR A 36 70.727 -2.114 -8.450 1.00 0.00 H new ATOM 0 HG1 THR A 36 69.542 -3.774 -9.570 1.00 0.00 H new ATOM 0 HG21 THR A 36 71.964 -3.862 -9.710 1.00 0.00 H new ATOM 0 HG22 THR A 36 72.853 -3.388 -8.243 1.00 0.00 H new ATOM 0 HG23 THR A 36 71.939 -4.915 -8.275 1.00 0.00 H new ATOM 527 N TRP A 37 72.850 -3.159 -5.405 1.00 0.00 N ATOM 528 CA TRP A 37 74.068 -2.557 -4.844 1.00 0.00 C ATOM 529 C TRP A 37 75.308 -3.120 -5.529 1.00 0.00 C ATOM 530 O TRP A 37 75.606 -4.310 -5.427 1.00 0.00 O ATOM 531 CB TRP A 37 74.141 -2.834 -3.325 1.00 0.00 C ATOM 532 CG TRP A 37 74.999 -1.806 -2.631 1.00 0.00 C ATOM 533 CD1 TRP A 37 76.223 -1.403 -3.045 1.00 0.00 C ATOM 534 CD2 TRP A 37 74.720 -1.055 -1.407 1.00 0.00 C ATOM 535 NE1 TRP A 37 76.705 -0.454 -2.166 1.00 0.00 N ATOM 536 CE2 TRP A 37 75.819 -0.205 -1.140 1.00 0.00 C ATOM 537 CE3 TRP A 37 73.633 -1.029 -0.512 1.00 0.00 C ATOM 538 CZ2 TRP A 37 75.840 0.644 -0.034 1.00 0.00 C ATOM 539 CZ3 TRP A 37 73.653 -0.175 0.606 1.00 0.00 C ATOM 540 CH2 TRP A 37 74.754 0.658 0.844 1.00 0.00 C ATOM 0 H TRP A 37 72.780 -4.168 -5.272 1.00 0.00 H new ATOM 0 HA TRP A 37 74.032 -1.481 -5.014 1.00 0.00 H new ATOM 0 HB2 TRP A 37 73.137 -2.822 -2.900 1.00 0.00 H new ATOM 0 HB3 TRP A 37 74.548 -3.830 -3.152 1.00 0.00 H new ATOM 0 HD1 TRP A 37 76.739 -1.765 -3.922 1.00 0.00 H new ATOM 0 HE1 TRP A 37 77.609 0.008 -2.264 1.00 0.00 H new ATOM 0 HE3 TRP A 37 72.780 -1.668 -0.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 76.690 1.286 0.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 72.814 -0.162 1.286 1.00 0.00 H new ATOM 0 HH2 TRP A 37 74.763 1.310 1.705 1.00 0.00 H new ATOM 551 N LEU A 38 76.035 -2.242 -6.215 1.00 0.00 N ATOM 552 CA LEU A 38 77.258 -2.644 -6.906 1.00 0.00 C ATOM 553 C LEU A 38 78.353 -1.587 -6.765 1.00 0.00 C ATOM 554 O LEU A 38 78.278 -0.518 -7.371 1.00 0.00 O ATOM 555 CB LEU A 38 76.991 -2.855 -8.402 1.00 0.00 C ATOM 556 CG LEU A 38 76.123 -4.099 -8.655 1.00 0.00 C ATOM 557 CD1 LEU A 38 75.841 -4.188 -10.158 1.00 0.00 C ATOM 558 CD2 LEU A 38 76.855 -5.381 -8.211 1.00 0.00 C ATOM 0 H LEU A 38 75.801 -1.254 -6.307 1.00 0.00 H new ATOM 0 HA LEU A 38 77.589 -3.575 -6.446 1.00 0.00 H new ATOM 0 HB2 LEU A 38 76.494 -1.975 -8.811 1.00 0.00 H new ATOM 0 HB3 LEU A 38 77.939 -2.959 -8.930 1.00 0.00 H new ATOM 0 HG LEU A 38 75.199 -4.012 -8.084 1.00 0.00 H new ATOM 0 HD11 LEU A 38 75.226 -5.064 -10.361 1.00 0.00 H new ATOM 0 HD12 LEU A 38 75.314 -3.291 -10.483 1.00 0.00 H new ATOM 0 HD13 LEU A 38 76.783 -4.272 -10.701 1.00 0.00 H new ATOM 0 HD21 LEU A 38 76.220 -6.247 -8.400 1.00 0.00 H new ATOM 0 HD22 LEU A 38 77.784 -5.483 -8.772 1.00 0.00 H new ATOM 0 HD23 LEU A 38 77.079 -5.322 -7.146 1.00 0.00 H new ATOM 570 N LEU A 39 79.396 -1.916 -6.005 1.00 0.00 N ATOM 571 CA LEU A 39 80.534 -1.021 -5.849 1.00 0.00 C ATOM 572 C LEU A 39 81.498 -1.503 -6.905 1.00 0.00 C ATOM 573 O LEU A 39 81.240 -1.338 -8.098 1.00 0.00 O ATOM 574 CB LEU A 39 81.139 -1.091 -4.411 1.00 0.00 C ATOM 575 CG LEU A 39 80.608 -2.309 -3.637 1.00 0.00 C ATOM 576 CD1 LEU A 39 81.311 -3.583 -4.117 1.00 0.00 C ATOM 577 CD2 LEU A 39 80.877 -2.111 -2.140 1.00 0.00 C ATOM 0 H LEU A 39 79.474 -2.793 -5.490 1.00 0.00 H new ATOM 0 HA LEU A 39 80.271 0.030 -5.971 1.00 0.00 H new ATOM 0 HB2 LEU A 39 82.226 -1.144 -4.474 1.00 0.00 H new ATOM 0 HB3 LEU A 39 80.895 -0.178 -3.867 1.00 0.00 H new ATOM 0 HG LEU A 39 79.537 -2.407 -3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 39 80.928 -4.440 -3.563 1.00 0.00 H new ATOM 0 HD12 LEU A 39 81.121 -3.724 -5.181 1.00 0.00 H new ATOM 0 HD13 LEU A 39 82.384 -3.492 -3.949 1.00 0.00 H new ATOM 0 HD21 LEU A 39 80.502 -2.972 -1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 39 81.949 -2.011 -1.973 1.00 0.00 H new ATOM 0 HD23 LEU A 39 80.370 -1.209 -1.795 1.00 0.00 H new ATOM 589 N ASP A 40 82.540 -2.197 -6.501 1.00 0.00 N ATOM 590 CA ASP A 40 83.411 -2.789 -7.472 1.00 0.00 C ATOM 591 C ASP A 40 82.547 -3.808 -8.201 1.00 0.00 C ATOM 592 O ASP A 40 81.430 -4.083 -7.764 1.00 0.00 O ATOM 593 CB ASP A 40 84.614 -3.458 -6.813 1.00 0.00 C ATOM 594 CG ASP A 40 85.563 -3.976 -7.887 1.00 0.00 C ATOM 595 OD1 ASP A 40 85.392 -3.595 -9.034 1.00 0.00 O1- ATOM 596 OD2 ASP A 40 86.450 -4.741 -7.549 1.00 0.00 O ATOM 0 H ASP A 40 82.795 -2.359 -5.527 1.00 0.00 H new ATOM 0 HA ASP A 40 83.827 -2.043 -8.149 1.00 0.00 H new ATOM 0 HB2 ASP A 40 85.131 -2.746 -6.169 1.00 0.00 H new ATOM 0 HB3 ASP A 40 84.283 -4.280 -6.178 1.00 0.00 H new ATOM 601 N ASP A 41 83.004 -4.316 -9.310 1.00 0.00 N ATOM 602 CA ASP A 41 82.187 -5.246 -10.078 1.00 0.00 C ATOM 603 C ASP A 41 81.901 -6.554 -9.326 1.00 0.00 C ATOM 604 O ASP A 41 81.756 -7.608 -9.950 1.00 0.00 O ATOM 605 CB ASP A 41 82.876 -5.557 -11.409 1.00 0.00 C ATOM 606 CG ASP A 41 81.957 -6.412 -12.272 1.00 0.00 C ATOM 607 OD1 ASP A 41 80.824 -6.011 -12.471 1.00 0.00 O ATOM 608 OD2 ASP A 41 82.398 -7.452 -12.726 1.00 0.00 O1- ATOM 0 H ASP A 41 83.921 -4.114 -9.708 1.00 0.00 H new ATOM 0 HA ASP A 41 81.226 -4.761 -10.250 1.00 0.00 H new ATOM 0 HB2 ASP A 41 83.121 -4.631 -11.928 1.00 0.00 H new ATOM 0 HB3 ASP A 41 83.815 -6.081 -11.230 1.00 0.00 H new ATOM 613 N GLU A 42 81.770 -6.479 -7.987 1.00 0.00 N ATOM 614 CA GLU A 42 81.446 -7.671 -7.181 1.00 0.00 C ATOM 615 C GLU A 42 80.190 -7.409 -6.321 1.00 0.00 C ATOM 616 O GLU A 42 80.089 -6.351 -5.699 1.00 0.00 O ATOM 617 CB GLU A 42 82.608 -8.010 -6.243 1.00 0.00 C ATOM 618 CG GLU A 42 83.772 -8.592 -7.043 1.00 0.00 C ATOM 619 CD GLU A 42 84.983 -8.735 -6.131 1.00 0.00 C ATOM 620 OE1 GLU A 42 84.794 -8.717 -4.926 1.00 0.00 O1- ATOM 621 OE2 GLU A 42 86.079 -8.853 -6.646 1.00 0.00 O ATOM 0 H GLU A 42 81.882 -5.620 -7.448 1.00 0.00 H new ATOM 0 HA GLU A 42 81.265 -8.501 -7.864 1.00 0.00 H new ATOM 0 HB2 GLU A 42 82.932 -7.114 -5.713 1.00 0.00 H new ATOM 0 HB3 GLU A 42 82.281 -8.725 -5.489 1.00 0.00 H new ATOM 0 HG2 GLU A 42 83.496 -9.562 -7.456 1.00 0.00 H new ATOM 0 HG3 GLU A 42 84.011 -7.943 -7.886 1.00 0.00 H new ATOM 628 N PRO A 43 79.248 -8.335 -6.246 1.00 0.00 N ATOM 629 CA PRO A 43 78.025 -8.143 -5.409 1.00 0.00 C ATOM 630 C PRO A 43 78.420 -7.886 -3.958 1.00 0.00 C ATOM 631 O PRO A 43 79.390 -8.466 -3.467 1.00 0.00 O ATOM 632 CB PRO A 43 77.228 -9.464 -5.531 1.00 0.00 C ATOM 633 CG PRO A 43 78.008 -10.376 -6.449 1.00 0.00 C ATOM 634 CD PRO A 43 79.251 -9.623 -6.949 1.00 0.00 C ATOM 0 HA PRO A 43 77.434 -7.288 -5.737 1.00 0.00 H new ATOM 0 HB2 PRO A 43 77.096 -9.925 -4.552 1.00 0.00 H new ATOM 0 HB3 PRO A 43 76.232 -9.276 -5.931 1.00 0.00 H new ATOM 0 HG2 PRO A 43 78.302 -11.283 -5.921 1.00 0.00 H new ATOM 0 HG3 PRO A 43 77.389 -10.685 -7.291 1.00 0.00 H new ATOM 0 HD2 PRO A 43 80.161 -10.184 -6.734 1.00 0.00 H new ATOM 0 HD3 PRO A 43 79.213 -9.479 -8.029 1.00 0.00 H new ATOM 642 N VAL A 44 77.712 -6.986 -3.283 1.00 0.00 N ATOM 643 CA VAL A 44 78.078 -6.662 -1.910 1.00 0.00 C ATOM 644 C VAL A 44 77.469 -7.623 -0.891 1.00 0.00 C ATOM 645 O VAL A 44 76.415 -7.361 -0.320 1.00 0.00 O ATOM 646 CB VAL A 44 77.632 -5.233 -1.576 1.00 0.00 C ATOM 647 CG1 VAL A 44 78.460 -4.713 -0.397 1.00 0.00 C ATOM 648 CG2 VAL A 44 77.833 -4.317 -2.792 1.00 0.00 C ATOM 0 H VAL A 44 76.905 -6.482 -3.651 1.00 0.00 H new ATOM 0 HA VAL A 44 79.162 -6.754 -1.844 1.00 0.00 H new ATOM 0 HB VAL A 44 76.574 -5.238 -1.312 1.00 0.00 H new ATOM 0 HG11 VAL A 44 78.149 -3.697 -0.154 1.00 0.00 H new ATOM 0 HG12 VAL A 44 78.305 -5.357 0.469 1.00 0.00 H new ATOM 0 HG13 VAL A 44 79.516 -4.714 -0.666 1.00 0.00 H new ATOM 0 HG21 VAL A 44 77.513 -3.305 -2.542 1.00 0.00 H new ATOM 0 HG22 VAL A 44 78.887 -4.306 -3.069 1.00 0.00 H new ATOM 0 HG23 VAL A 44 77.242 -4.689 -3.629 1.00 0.00 H new ATOM 658 N ARG A 45 78.181 -8.708 -0.636 1.00 0.00 N ATOM 659 CA ARG A 45 77.780 -9.697 0.361 1.00 0.00 C ATOM 660 C ARG A 45 79.060 -10.254 0.973 1.00 0.00 C ATOM 661 O ARG A 45 79.566 -9.738 1.957 1.00 0.00 O ATOM 662 CB ARG A 45 76.956 -10.837 -0.262 1.00 0.00 C ATOM 663 CG ARG A 45 75.558 -10.352 -0.700 1.00 0.00 C ATOM 664 CD ARG A 45 74.616 -10.224 0.511 1.00 0.00 C ATOM 665 NE ARG A 45 74.617 -11.471 1.274 1.00 0.00 N ATOM 666 CZ ARG A 45 74.234 -11.521 2.548 1.00 0.00 C ATOM 667 NH1 ARG A 45 74.642 -10.610 3.392 1.00 0.00 N1+ ATOM 668 NH2 ARG A 45 73.462 -12.496 2.957 1.00 0.00 N ATOM 0 H ARG A 45 79.055 -8.932 -1.113 1.00 0.00 H new ATOM 0 HA ARG A 45 77.146 -9.227 1.113 1.00 0.00 H new ATOM 0 HB2 ARG A 45 77.487 -11.243 -1.123 1.00 0.00 H new ATOM 0 HB3 ARG A 45 76.851 -11.648 0.459 1.00 0.00 H new ATOM 0 HG2 ARG A 45 75.644 -9.388 -1.202 1.00 0.00 H new ATOM 0 HG3 ARG A 45 75.136 -11.051 -1.422 1.00 0.00 H new ATOM 0 HD2 ARG A 45 74.936 -9.398 1.146 1.00 0.00 H new ATOM 0 HD3 ARG A 45 73.605 -9.994 0.174 1.00 0.00 H new ATOM 0 HE ARG A 45 74.921 -12.330 0.816 1.00 0.00 H new ATOM 0 HH11 ARG A 45 75.255 -9.859 3.075 1.00 0.00 H new ATOM 0 HH12 ARG A 45 74.347 -10.650 4.368 1.00 0.00 H new ATOM 0 HH21 ARG A 45 73.156 -13.214 2.300 1.00 0.00 H new ATOM 0 HH22 ARG A 45 73.167 -12.538 3.932 1.00 0.00 H new ATOM 682 N THR A 46 79.571 -11.304 0.347 1.00 0.00 N ATOM 683 CA THR A 46 80.812 -11.959 0.776 1.00 0.00 C ATOM 684 C THR A 46 80.711 -12.479 2.221 1.00 0.00 C ATOM 685 O THR A 46 79.764 -13.188 2.552 1.00 0.00 O ATOM 686 CB THR A 46 82.003 -10.987 0.600 1.00 0.00 C ATOM 687 OG1 THR A 46 82.202 -10.228 1.785 1.00 0.00 O ATOM 688 CG2 THR A 46 81.726 -10.035 -0.573 1.00 0.00 C ATOM 0 H THR A 46 79.142 -11.731 -0.474 1.00 0.00 H new ATOM 0 HA THR A 46 80.980 -12.832 0.145 1.00 0.00 H new ATOM 0 HB THR A 46 82.901 -11.570 0.396 1.00 0.00 H new ATOM 0 HG1 THR A 46 81.334 -9.947 2.143 1.00 0.00 H new ATOM 0 HG21 THR A 46 82.567 -9.352 -0.694 1.00 0.00 H new ATOM 0 HG22 THR A 46 81.594 -10.613 -1.487 1.00 0.00 H new ATOM 0 HG23 THR A 46 80.820 -9.463 -0.371 1.00 0.00 H new ATOM 696 N SER A 47 81.689 -12.144 3.076 1.00 0.00 N ATOM 697 CA SER A 47 81.690 -12.608 4.481 1.00 0.00 C ATOM 698 C SER A 47 81.875 -11.431 5.446 1.00 0.00 C ATOM 699 O SER A 47 81.452 -10.324 5.169 1.00 0.00 O ATOM 700 CB SER A 47 82.824 -13.618 4.693 1.00 0.00 C ATOM 701 OG SER A 47 82.660 -14.274 5.950 1.00 0.00 O ATOM 0 H SER A 47 82.486 -11.558 2.827 1.00 0.00 H new ATOM 0 HA SER A 47 80.729 -13.080 4.684 1.00 0.00 H new ATOM 0 HB2 SER A 47 82.825 -14.352 3.887 1.00 0.00 H new ATOM 0 HB3 SER A 47 83.787 -13.109 4.661 1.00 0.00 H new ATOM 0 HG SER A 47 83.386 -14.919 6.079 1.00 0.00 H new ATOM 707 N GLU A 48 82.478 -11.685 6.598 1.00 0.00 N ATOM 708 CA GLU A 48 82.673 -10.636 7.600 1.00 0.00 C ATOM 709 C GLU A 48 83.579 -9.505 7.086 1.00 0.00 C ATOM 710 O GLU A 48 83.348 -8.331 7.390 1.00 0.00 O ATOM 711 CB GLU A 48 83.271 -11.255 8.859 1.00 0.00 C ATOM 712 CG GLU A 48 84.517 -12.066 8.496 1.00 0.00 C ATOM 713 CD GLU A 48 85.141 -12.630 9.764 1.00 0.00 C ATOM 714 OE1 GLU A 48 85.513 -11.838 10.612 1.00 0.00 O1- ATOM 715 OE2 GLU A 48 85.240 -13.842 9.868 1.00 0.00 O ATOM 0 H GLU A 48 82.840 -12.600 6.865 1.00 0.00 H new ATOM 0 HA GLU A 48 81.702 -10.193 7.821 1.00 0.00 H new ATOM 0 HB2 GLU A 48 83.530 -10.473 9.572 1.00 0.00 H new ATOM 0 HB3 GLU A 48 82.536 -11.898 9.344 1.00 0.00 H new ATOM 0 HG2 GLU A 48 84.252 -12.876 7.817 1.00 0.00 H new ATOM 0 HG3 GLU A 48 85.236 -11.435 7.974 1.00 0.00 H new ATOM 722 N ASN A 49 84.601 -9.864 6.315 1.00 0.00 N ATOM 723 CA ASN A 49 85.535 -8.878 5.765 1.00 0.00 C ATOM 724 C ASN A 49 84.809 -7.899 4.839 1.00 0.00 C ATOM 725 O ASN A 49 85.401 -6.933 4.355 1.00 0.00 O ATOM 726 CB ASN A 49 86.619 -9.598 4.959 1.00 0.00 C ATOM 727 CG ASN A 49 87.337 -10.638 5.823 1.00 0.00 C ATOM 728 OD1 ASN A 49 87.118 -11.840 5.653 1.00 0.00 O ATOM 729 ND2 ASN A 49 88.197 -10.256 6.731 1.00 0.00 N ATOM 0 H ASN A 49 84.806 -10.829 6.055 1.00 0.00 H new ATOM 0 HA ASN A 49 85.977 -8.326 6.594 1.00 0.00 H new ATOM 0 HB2 ASN A 49 86.171 -10.085 4.092 1.00 0.00 H new ATOM 0 HB3 ASN A 49 87.339 -8.873 4.581 1.00 0.00 H new ATOM 0 HD21 ASN A 49 88.685 -10.951 7.296 1.00 0.00 H new ATOM 0 HD22 ASN A 49 88.380 -9.263 6.874 1.00 0.00 H new ATOM 736 N ALA A 50 83.526 -8.157 4.606 1.00 0.00 N ATOM 737 CA ALA A 50 82.709 -7.305 3.743 1.00 0.00 C ATOM 738 C ALA A 50 81.282 -7.851 3.712 1.00 0.00 C ATOM 739 O ALA A 50 81.090 -9.027 3.451 1.00 0.00 O ATOM 740 CB ALA A 50 83.301 -7.278 2.329 1.00 0.00 C ATOM 0 H ALA A 50 83.026 -8.952 5.004 1.00 0.00 H new ATOM 0 HA ALA A 50 82.697 -6.287 4.132 1.00 0.00 H new ATOM 0 HB1 ALA A 50 82.688 -6.642 1.690 1.00 0.00 H new ATOM 0 HB2 ALA A 50 84.316 -6.884 2.367 1.00 0.00 H new ATOM 0 HB3 ALA A 50 83.320 -8.289 1.923 1.00 0.00 H new ATOM 746 N GLU A 51 80.289 -6.990 3.946 1.00 0.00 N ATOM 747 CA GLU A 51 78.878 -7.405 3.918 1.00 0.00 C ATOM 748 C GLU A 51 77.990 -6.218 4.259 1.00 0.00 C ATOM 749 O GLU A 51 78.390 -5.337 5.031 1.00 0.00 O ATOM 750 CB GLU A 51 78.595 -8.538 4.923 1.00 0.00 C ATOM 751 CG GLU A 51 77.104 -8.909 4.870 1.00 0.00 C ATOM 752 CD GLU A 51 76.834 -10.137 5.729 1.00 0.00 C ATOM 753 OE1 GLU A 51 77.729 -10.544 6.448 1.00 0.00 O1- ATOM 754 OE2 GLU A 51 75.729 -10.658 5.652 1.00 0.00 O ATOM 0 H GLU A 51 80.432 -6.002 4.157 1.00 0.00 H new ATOM 0 HA GLU A 51 78.663 -7.772 2.914 1.00 0.00 H new ATOM 0 HB2 GLU A 51 79.206 -9.409 4.687 1.00 0.00 H new ATOM 0 HB3 GLU A 51 78.867 -8.222 5.930 1.00 0.00 H new ATOM 0 HG2 GLU A 51 76.501 -8.072 5.221 1.00 0.00 H new ATOM 0 HG3 GLU A 51 76.807 -9.105 3.840 1.00 0.00 H new ATOM 761 N VAL A 52 76.782 -6.182 3.691 1.00 0.00 N ATOM 762 CA VAL A 52 75.847 -5.090 3.952 1.00 0.00 C ATOM 763 C VAL A 52 74.925 -5.453 5.115 1.00 0.00 C ATOM 764 O VAL A 52 74.476 -6.594 5.235 1.00 0.00 O ATOM 765 CB VAL A 52 74.983 -4.827 2.703 1.00 0.00 C ATOM 766 CG1 VAL A 52 74.348 -3.438 2.779 1.00 0.00 C ATOM 767 CG2 VAL A 52 75.839 -4.922 1.445 1.00 0.00 C ATOM 0 H VAL A 52 76.431 -6.894 3.050 1.00 0.00 H new ATOM 0 HA VAL A 52 76.421 -4.198 4.202 1.00 0.00 H new ATOM 0 HB VAL A 52 74.195 -5.580 2.664 1.00 0.00 H new ATOM 0 HG11 VAL A 52 73.741 -3.266 1.890 1.00 0.00 H new ATOM 0 HG12 VAL A 52 73.718 -3.374 3.666 1.00 0.00 H new ATOM 0 HG13 VAL A 52 75.132 -2.682 2.835 1.00 0.00 H new ATOM 0 HG21 VAL A 52 75.219 -4.735 0.568 1.00 0.00 H new ATOM 0 HG22 VAL A 52 76.637 -4.180 1.491 1.00 0.00 H new ATOM 0 HG23 VAL A 52 76.274 -5.919 1.375 1.00 0.00 H new ATOM 777 N VAL A 53 74.614 -4.460 5.932 1.00 0.00 N ATOM 778 CA VAL A 53 73.704 -4.638 7.063 1.00 0.00 C ATOM 779 C VAL A 53 72.833 -3.392 7.187 1.00 0.00 C ATOM 780 O VAL A 53 73.279 -2.301 6.855 1.00 0.00 O ATOM 781 CB VAL A 53 74.496 -4.835 8.365 1.00 0.00 C ATOM 782 CG1 VAL A 53 75.184 -6.208 8.370 1.00 0.00 C ATOM 783 CG2 VAL A 53 75.555 -3.731 8.479 1.00 0.00 C ATOM 0 H VAL A 53 74.980 -3.513 5.835 1.00 0.00 H new ATOM 0 HA VAL A 53 73.087 -5.521 6.894 1.00 0.00 H new ATOM 0 HB VAL A 53 73.811 -4.784 9.211 1.00 0.00 H new ATOM 0 HG11 VAL A 53 75.741 -6.333 9.299 1.00 0.00 H new ATOM 0 HG12 VAL A 53 74.431 -6.992 8.290 1.00 0.00 H new ATOM 0 HG13 VAL A 53 75.869 -6.275 7.525 1.00 0.00 H new ATOM 0 HG21 VAL A 53 76.121 -3.864 9.401 1.00 0.00 H new ATOM 0 HG22 VAL A 53 76.232 -3.786 7.626 1.00 0.00 H new ATOM 0 HG23 VAL A 53 75.066 -2.757 8.491 1.00 0.00 H new ATOM 793 N PHE A 54 71.596 -3.547 7.663 1.00 0.00 N ATOM 794 CA PHE A 54 70.692 -2.397 7.820 1.00 0.00 C ATOM 795 C PHE A 54 69.932 -2.490 9.141 1.00 0.00 C ATOM 796 O PHE A 54 70.193 -3.382 9.947 1.00 0.00 O ATOM 797 CB PHE A 54 69.717 -2.283 6.637 1.00 0.00 C ATOM 798 CG PHE A 54 68.874 -3.531 6.493 1.00 0.00 C ATOM 799 CD1 PHE A 54 69.362 -4.617 5.758 1.00 0.00 C ATOM 800 CD2 PHE A 54 67.599 -3.593 7.070 1.00 0.00 C ATOM 801 CE1 PHE A 54 68.579 -5.767 5.603 1.00 0.00 C ATOM 802 CE2 PHE A 54 66.814 -4.744 6.910 1.00 0.00 C ATOM 803 CZ PHE A 54 67.304 -5.830 6.178 1.00 0.00 C ATOM 0 H PHE A 54 71.198 -4.443 7.944 1.00 0.00 H new ATOM 0 HA PHE A 54 71.301 -1.493 7.833 1.00 0.00 H new ATOM 0 HB2 PHE A 54 69.068 -1.419 6.780 1.00 0.00 H new ATOM 0 HB3 PHE A 54 70.277 -2.112 5.717 1.00 0.00 H new ATOM 0 HD1 PHE A 54 70.343 -4.568 5.310 1.00 0.00 H new ATOM 0 HD2 PHE A 54 67.221 -2.755 7.637 1.00 0.00 H new ATOM 0 HE1 PHE A 54 68.959 -6.606 5.039 1.00 0.00 H new ATOM 0 HE2 PHE A 54 65.830 -4.792 7.353 1.00 0.00 H new ATOM 0 HZ PHE A 54 66.699 -6.717 6.056 1.00 0.00 H new ATOM 813 N PHE A 55 69.002 -1.558 9.366 1.00 0.00 N ATOM 814 CA PHE A 55 68.228 -1.545 10.606 1.00 0.00 C ATOM 815 C PHE A 55 66.916 -0.780 10.438 1.00 0.00 C ATOM 816 O PHE A 55 66.727 -0.058 9.460 1.00 0.00 O ATOM 817 CB PHE A 55 69.049 -0.882 11.707 1.00 0.00 C ATOM 818 CG PHE A 55 70.254 -1.729 12.015 1.00 0.00 C ATOM 819 CD1 PHE A 55 70.085 -2.948 12.677 1.00 0.00 C ATOM 820 CD2 PHE A 55 71.537 -1.303 11.644 1.00 0.00 C ATOM 821 CE1 PHE A 55 71.194 -3.744 12.969 1.00 0.00 C ATOM 822 CE2 PHE A 55 72.648 -2.099 11.939 1.00 0.00 C ATOM 823 CZ PHE A 55 72.478 -3.320 12.601 1.00 0.00 C ATOM 0 H PHE A 55 68.770 -0.811 8.712 1.00 0.00 H new ATOM 0 HA PHE A 55 67.995 -2.577 10.869 1.00 0.00 H new ATOM 0 HB2 PHE A 55 69.362 0.113 11.392 1.00 0.00 H new ATOM 0 HB3 PHE A 55 68.441 -0.757 12.603 1.00 0.00 H new ATOM 0 HD1 PHE A 55 69.096 -3.274 12.963 1.00 0.00 H new ATOM 0 HD2 PHE A 55 71.667 -0.361 11.131 1.00 0.00 H new ATOM 0 HE1 PHE A 55 71.062 -4.687 13.479 1.00 0.00 H new ATOM 0 HE2 PHE A 55 73.637 -1.771 11.656 1.00 0.00 H new ATOM 0 HZ PHE A 55 73.336 -3.935 12.828 1.00 0.00 H new ATOM 833 N GLU A 56 66.020 -0.932 11.410 1.00 0.00 N ATOM 834 CA GLU A 56 64.737 -0.239 11.376 1.00 0.00 C ATOM 835 C GLU A 56 63.993 -0.525 10.077 1.00 0.00 C ATOM 836 O GLU A 56 63.289 0.333 9.543 1.00 0.00 O ATOM 837 CB GLU A 56 64.944 1.265 11.552 1.00 0.00 C ATOM 838 CG GLU A 56 65.468 1.553 12.964 1.00 0.00 C ATOM 839 CD GLU A 56 64.404 1.234 14.013 1.00 0.00 C ATOM 840 OE1 GLU A 56 63.241 1.159 13.651 1.00 0.00 O1- ATOM 841 OE2 GLU A 56 64.770 1.071 15.167 1.00 0.00 O ATOM 0 H GLU A 56 66.159 -1.526 12.227 1.00 0.00 H new ATOM 0 HA GLU A 56 64.128 -0.610 12.201 1.00 0.00 H new ATOM 0 HB2 GLU A 56 65.651 1.634 10.809 1.00 0.00 H new ATOM 0 HB3 GLU A 56 64.005 1.793 11.388 1.00 0.00 H new ATOM 0 HG2 GLU A 56 66.362 0.958 13.153 1.00 0.00 H new ATOM 0 HG3 GLU A 56 65.760 2.600 13.042 1.00 0.00 H new ATOM 848 N ASN A 57 64.143 -1.749 9.590 1.00 0.00 N ATOM 849 CA ASN A 57 63.464 -2.178 8.370 1.00 0.00 C ATOM 850 C ASN A 57 63.938 -1.421 7.125 1.00 0.00 C ATOM 851 O ASN A 57 63.134 -1.125 6.239 1.00 0.00 O ATOM 852 CB ASN A 57 61.952 -1.975 8.532 1.00 0.00 C ATOM 853 CG ASN A 57 61.184 -2.875 7.565 1.00 0.00 C ATOM 854 OD1 ASN A 57 59.964 -3.014 7.675 1.00 0.00 O ATOM 855 ND2 ASN A 57 61.829 -3.499 6.615 1.00 0.00 N ATOM 0 H ASN A 57 64.729 -2.465 10.020 1.00 0.00 H new ATOM 0 HA ASN A 57 63.706 -3.231 8.223 1.00 0.00 H new ATOM 0 HB2 ASN A 57 61.657 -2.198 9.557 1.00 0.00 H new ATOM 0 HB3 ASN A 57 61.697 -0.931 8.347 1.00 0.00 H new ATOM 0 HD21 ASN A 57 61.323 -4.101 5.965 1.00 0.00 H new ATOM 0 HD22 ASN A 57 62.838 -3.384 6.523 1.00 0.00 H new ATOM 862 N GLY A 58 65.234 -1.145 7.033 1.00 0.00 N ATOM 863 CA GLY A 58 65.776 -0.465 5.849 1.00 0.00 C ATOM 864 C GLY A 58 65.770 1.059 5.974 1.00 0.00 C ATOM 865 O GLY A 58 66.235 1.751 5.070 1.00 0.00 O ATOM 0 H GLY A 58 65.924 -1.375 7.748 1.00 0.00 H new ATOM 0 HA2 GLY A 58 66.797 -0.805 5.679 1.00 0.00 H new ATOM 0 HA3 GLY A 58 65.194 -0.754 4.974 1.00 0.00 H new ATOM 869 N LEU A 59 65.252 1.591 7.075 1.00 0.00 N ATOM 870 CA LEU A 59 65.225 3.045 7.243 1.00 0.00 C ATOM 871 C LEU A 59 66.657 3.599 7.225 1.00 0.00 C ATOM 872 O LEU A 59 66.871 4.773 6.930 1.00 0.00 O ATOM 873 CB LEU A 59 64.527 3.424 8.559 1.00 0.00 C ATOM 874 CG LEU A 59 64.038 4.887 8.511 1.00 0.00 C ATOM 875 CD1 LEU A 59 62.875 5.050 7.504 1.00 0.00 C ATOM 876 CD2 LEU A 59 63.577 5.308 9.917 1.00 0.00 C ATOM 0 H LEU A 59 64.854 1.057 7.848 1.00 0.00 H new ATOM 0 HA LEU A 59 64.663 3.482 6.417 1.00 0.00 H new ATOM 0 HB2 LEU A 59 63.682 2.758 8.734 1.00 0.00 H new ATOM 0 HB3 LEU A 59 65.216 3.292 9.394 1.00 0.00 H new ATOM 0 HG LEU A 59 64.860 5.523 8.182 1.00 0.00 H new ATOM 0 HD11 LEU A 59 62.549 6.090 7.490 1.00 0.00 H new ATOM 0 HD12 LEU A 59 63.213 4.762 6.508 1.00 0.00 H new ATOM 0 HD13 LEU A 59 62.043 4.413 7.803 1.00 0.00 H new ATOM 0 HD21 LEU A 59 63.230 6.341 9.892 1.00 0.00 H new ATOM 0 HD22 LEU A 59 62.764 4.660 10.243 1.00 0.00 H new ATOM 0 HD23 LEU A 59 64.411 5.222 10.614 1.00 0.00 H new ATOM 888 N ARG A 60 67.633 2.730 7.506 1.00 0.00 N ATOM 889 CA ARG A 60 69.052 3.116 7.488 1.00 0.00 C ATOM 890 C ARG A 60 69.878 2.000 6.841 1.00 0.00 C ATOM 891 O ARG A 60 69.521 0.828 6.928 1.00 0.00 O ATOM 892 CB ARG A 60 69.568 3.397 8.911 1.00 0.00 C ATOM 893 CG ARG A 60 68.863 4.629 9.492 1.00 0.00 C ATOM 894 CD ARG A 60 69.349 4.866 10.926 1.00 0.00 C ATOM 895 NE ARG A 60 70.769 5.194 10.926 1.00 0.00 N ATOM 896 CZ ARG A 60 71.444 5.357 12.060 1.00 0.00 C ATOM 897 NH1 ARG A 60 70.812 5.535 13.188 1.00 0.00 N ATOM 898 NH2 ARG A 60 72.746 5.358 12.042 1.00 0.00 N1+ ATOM 0 H ARG A 60 67.469 1.753 7.749 1.00 0.00 H new ATOM 0 HA ARG A 60 69.154 4.032 6.906 1.00 0.00 H new ATOM 0 HB2 ARG A 60 69.389 2.531 9.549 1.00 0.00 H new ATOM 0 HB3 ARG A 60 70.645 3.561 8.890 1.00 0.00 H new ATOM 0 HG2 ARG A 60 69.071 5.504 8.877 1.00 0.00 H new ATOM 0 HG3 ARG A 60 67.783 4.482 9.482 1.00 0.00 H new ATOM 0 HD2 ARG A 60 68.781 5.677 11.382 1.00 0.00 H new ATOM 0 HD3 ARG A 60 69.174 3.975 11.530 1.00 0.00 H new ATOM 0 HE ARG A 60 71.256 5.301 10.036 1.00 0.00 H new ATOM 0 HH11 ARG A 60 69.792 5.550 13.204 1.00 0.00 H new ATOM 0 HH12 ARG A 60 71.338 5.659 14.053 1.00 0.00 H new ATOM 0 HH21 ARG A 60 73.244 5.234 11.160 1.00 0.00 H new ATOM 0 HH22 ARG A 60 73.268 5.483 12.909 1.00 0.00 H new ATOM 912 N HIS A 61 70.991 2.366 6.200 1.00 0.00 N ATOM 913 CA HIS A 61 71.861 1.375 5.552 1.00 0.00 C ATOM 914 C HIS A 61 73.319 1.654 5.879 1.00 0.00 C ATOM 915 O HIS A 61 73.856 2.709 5.553 1.00 0.00 O ATOM 916 CB HIS A 61 71.664 1.393 4.026 1.00 0.00 C ATOM 917 CG HIS A 61 70.422 0.629 3.654 1.00 0.00 C ATOM 918 ND1 HIS A 61 69.175 1.224 3.612 1.00 0.00 N ATOM 919 CD2 HIS A 61 70.221 -0.688 3.317 1.00 0.00 C ATOM 920 CE1 HIS A 61 68.283 0.276 3.269 1.00 0.00 C ATOM 921 NE2 HIS A 61 68.869 -0.910 3.077 1.00 0.00 N ATOM 0 H HIS A 61 71.311 3.331 6.115 1.00 0.00 H new ATOM 0 HA HIS A 61 71.590 0.390 5.932 1.00 0.00 H new ATOM 0 HB2 HIS A 61 71.586 2.422 3.674 1.00 0.00 H new ATOM 0 HB3 HIS A 61 72.532 0.953 3.535 1.00 0.00 H new ATOM 0 HD2 HIS A 61 70.996 -1.437 3.249 1.00 0.00 H new ATOM 0 HE1 HIS A 61 67.223 0.452 3.162 1.00 0.00 H new ATOM 0 HE2 HIS A 61 68.422 -1.788 2.812 1.00 0.00 H new ATOM 929 N LEU A 62 73.952 0.679 6.515 1.00 0.00 N ATOM 930 CA LEU A 62 75.361 0.778 6.888 1.00 0.00 C ATOM 931 C LEU A 62 76.137 -0.338 6.202 1.00 0.00 C ATOM 932 O LEU A 62 75.873 -1.521 6.426 1.00 0.00 O ATOM 933 CB LEU A 62 75.530 0.636 8.410 1.00 0.00 C ATOM 934 CG LEU A 62 74.699 1.701 9.146 1.00 0.00 C ATOM 935 CD1 LEU A 62 73.184 1.393 9.040 1.00 0.00 C ATOM 936 CD2 LEU A 62 75.128 1.735 10.622 1.00 0.00 C ATOM 0 H LEU A 62 73.509 -0.199 6.787 1.00 0.00 H new ATOM 0 HA LEU A 62 75.738 1.753 6.578 1.00 0.00 H new ATOM 0 HB2 LEU A 62 75.217 -0.360 8.725 1.00 0.00 H new ATOM 0 HB3 LEU A 62 76.582 0.739 8.676 1.00 0.00 H new ATOM 0 HG LEU A 62 74.876 2.672 8.684 1.00 0.00 H new ATOM 0 HD11 LEU A 62 72.619 2.161 9.569 1.00 0.00 H new ATOM 0 HD12 LEU A 62 72.888 1.382 7.991 1.00 0.00 H new ATOM 0 HD13 LEU A 62 72.979 0.420 9.486 1.00 0.00 H new ATOM 0 HD21 LEU A 62 74.545 2.487 11.153 1.00 0.00 H new ATOM 0 HD22 LEU A 62 74.957 0.758 11.073 1.00 0.00 H new ATOM 0 HD23 LEU A 62 76.187 1.984 10.687 1.00 0.00 H new ATOM 948 N LEU A 63 77.102 0.045 5.368 1.00 0.00 N ATOM 949 CA LEU A 63 77.931 -0.938 4.652 1.00 0.00 C ATOM 950 C LEU A 63 79.352 -0.914 5.212 1.00 0.00 C ATOM 951 O LEU A 63 80.030 0.113 5.154 1.00 0.00 O ATOM 952 CB LEU A 63 77.920 -0.608 3.145 1.00 0.00 C ATOM 953 CG LEU A 63 79.071 -1.316 2.401 1.00 0.00 C ATOM 954 CD1 LEU A 63 79.074 -2.826 2.711 1.00 0.00 C ATOM 955 CD2 LEU A 63 78.897 -1.089 0.886 1.00 0.00 C ATOM 0 H LEU A 63 77.332 1.018 5.169 1.00 0.00 H new ATOM 0 HA LEU A 63 77.529 -1.942 4.790 1.00 0.00 H new ATOM 0 HB2 LEU A 63 76.966 -0.910 2.713 1.00 0.00 H new ATOM 0 HB3 LEU A 63 78.005 0.470 3.007 1.00 0.00 H new ATOM 0 HG LEU A 63 80.023 -0.901 2.733 1.00 0.00 H new ATOM 0 HD11 LEU A 63 79.894 -3.306 2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 63 79.203 -2.977 3.783 1.00 0.00 H new ATOM 0 HD13 LEU A 63 78.128 -3.264 2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 63 79.705 -1.585 0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 63 77.941 -1.501 0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 63 78.922 -0.020 0.673 1.00 0.00 H new ATOM 967 N LEU A 64 79.796 -2.045 5.785 1.00 0.00 N ATOM 968 CA LEU A 64 81.139 -2.122 6.383 1.00 0.00 C ATOM 969 C LEU A 64 82.090 -2.955 5.518 1.00 0.00 C ATOM 970 O LEU A 64 81.800 -4.099 5.177 1.00 0.00 O ATOM 971 CB LEU A 64 81.041 -2.761 7.784 1.00 0.00 C ATOM 972 CG LEU A 64 80.601 -1.712 8.818 1.00 0.00 C ATOM 973 CD1 LEU A 64 79.216 -1.159 8.446 1.00 0.00 C ATOM 974 CD2 LEU A 64 80.552 -2.362 10.209 1.00 0.00 C ATOM 0 H LEU A 64 79.254 -2.907 5.847 1.00 0.00 H new ATOM 0 HA LEU A 64 81.536 -1.109 6.453 1.00 0.00 H new ATOM 0 HB2 LEU A 64 80.328 -3.586 7.766 1.00 0.00 H new ATOM 0 HB3 LEU A 64 82.006 -3.180 8.069 1.00 0.00 H new ATOM 0 HG LEU A 64 81.315 -0.889 8.828 1.00 0.00 H new ATOM 0 HD11 LEU A 64 78.911 -0.416 9.183 1.00 0.00 H new ATOM 0 HD12 LEU A 64 79.262 -0.695 7.461 1.00 0.00 H new ATOM 0 HD13 LEU A 64 78.491 -1.973 8.430 1.00 0.00 H new ATOM 0 HD21 LEU A 64 80.240 -1.622 10.946 1.00 0.00 H new ATOM 0 HD22 LEU A 64 79.840 -3.187 10.200 1.00 0.00 H new ATOM 0 HD23 LEU A 64 81.541 -2.739 10.469 1.00 0.00 H new ATOM 986 N LEU A 65 83.247 -2.367 5.208 1.00 0.00 N ATOM 987 CA LEU A 65 84.288 -3.034 4.420 1.00 0.00 C ATOM 988 C LEU A 65 85.609 -2.892 5.176 1.00 0.00 C ATOM 989 O LEU A 65 86.043 -1.770 5.444 1.00 0.00 O ATOM 990 CB LEU A 65 84.413 -2.363 3.040 1.00 0.00 C ATOM 991 CG LEU A 65 83.060 -2.380 2.309 1.00 0.00 C ATOM 992 CD1 LEU A 65 83.182 -1.592 0.995 1.00 0.00 C ATOM 993 CD2 LEU A 65 82.631 -3.828 2.009 1.00 0.00 C ATOM 0 H LEU A 65 83.489 -1.418 5.494 1.00 0.00 H new ATOM 0 HA LEU A 65 84.037 -4.085 4.275 1.00 0.00 H new ATOM 0 HB2 LEU A 65 84.756 -1.335 3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 65 85.162 -2.883 2.443 1.00 0.00 H new ATOM 0 HG LEU A 65 82.306 -1.918 2.946 1.00 0.00 H new ATOM 0 HD11 LEU A 65 82.224 -1.602 0.474 1.00 0.00 H new ATOM 0 HD12 LEU A 65 83.465 -0.562 1.213 1.00 0.00 H new ATOM 0 HD13 LEU A 65 83.943 -2.052 0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 65 81.672 -3.823 1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 65 83.381 -4.307 1.379 1.00 0.00 H new ATOM 0 HD23 LEU A 65 82.536 -4.381 2.944 1.00 0.00 H new ATOM 1005 N LYS A 66 86.221 -4.008 5.589 1.00 0.00 N ATOM 1006 CA LYS A 66 87.449 -3.953 6.388 1.00 0.00 C ATOM 1007 C LYS A 66 88.687 -4.184 5.533 1.00 0.00 C ATOM 1008 O LYS A 66 88.619 -4.150 4.304 1.00 0.00 O ATOM 1009 CB LYS A 66 87.375 -5.042 7.462 1.00 0.00 C ATOM 1010 CG LYS A 66 86.265 -4.685 8.448 1.00 0.00 C ATOM 1011 CD LYS A 66 86.005 -5.853 9.407 1.00 0.00 C ATOM 1012 CE LYS A 66 87.263 -6.172 10.217 1.00 0.00 C ATOM 1013 NZ LYS A 66 86.878 -6.959 11.423 1.00 0.00 N1+ ATOM 0 H LYS A 66 85.890 -4.951 5.385 1.00 0.00 H new ATOM 0 HA LYS A 66 87.529 -2.962 6.834 1.00 0.00 H new ATOM 0 HB2 LYS A 66 87.176 -6.011 7.004 1.00 0.00 H new ATOM 0 HB3 LYS A 66 88.329 -5.125 7.982 1.00 0.00 H new ATOM 0 HG2 LYS A 66 86.545 -3.797 9.014 1.00 0.00 H new ATOM 0 HG3 LYS A 66 85.352 -4.442 7.905 1.00 0.00 H new ATOM 0 HD2 LYS A 66 85.186 -5.603 10.081 1.00 0.00 H new ATOM 0 HD3 LYS A 66 85.696 -6.733 8.843 1.00 0.00 H new ATOM 0 HE2 LYS A 66 87.969 -6.737 9.609 1.00 0.00 H new ATOM 0 HE3 LYS A 66 87.764 -5.250 10.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 87.728 -7.180 11.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 86.219 -6.403 12.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 86.418 -7.844 11.128 1.00 0.00 H new ATOM 1027 N ASN A 67 89.813 -4.435 6.205 1.00 0.00 N ATOM 1028 CA ASN A 67 91.075 -4.698 5.520 1.00 0.00 C ATOM 1029 C ASN A 67 91.193 -3.837 4.264 1.00 0.00 C ATOM 1030 O ASN A 67 91.554 -4.326 3.193 1.00 0.00 O ATOM 1031 CB ASN A 67 91.167 -6.182 5.153 1.00 0.00 C ATOM 1032 CG ASN A 67 91.231 -7.033 6.422 1.00 0.00 C ATOM 1033 OD1 ASN A 67 92.233 -7.004 7.136 1.00 0.00 O ATOM 1034 ND2 ASN A 67 90.218 -7.793 6.747 1.00 0.00 N ATOM 0 H ASN A 67 89.874 -4.461 7.223 1.00 0.00 H new ATOM 0 HA ASN A 67 91.897 -4.444 6.190 1.00 0.00 H new ATOM 0 HB2 ASN A 67 90.303 -6.471 4.555 1.00 0.00 H new ATOM 0 HB3 ASN A 67 92.052 -6.359 4.542 1.00 0.00 H new ATOM 0 HD21 ASN A 67 90.258 -8.362 7.593 1.00 0.00 H new ATOM 0 HD22 ASN A 67 89.388 -7.817 6.155 1.00 0.00 H new ATOM 1041 N LEU A 68 90.855 -2.557 4.401 1.00 0.00 N ATOM 1042 CA LEU A 68 90.901 -1.644 3.268 1.00 0.00 C ATOM 1043 C LEU A 68 92.326 -1.450 2.772 1.00 0.00 C ATOM 1044 O LEU A 68 93.113 -0.754 3.402 1.00 0.00 O ATOM 1045 CB LEU A 68 90.358 -0.277 3.697 1.00 0.00 C ATOM 1046 CG LEU A 68 88.935 -0.411 4.241 1.00 0.00 C ATOM 1047 CD1 LEU A 68 88.441 0.969 4.692 1.00 0.00 C ATOM 1048 CD2 LEU A 68 88.001 -0.970 3.153 1.00 0.00 C ATOM 0 H LEU A 68 90.549 -2.134 5.277 1.00 0.00 H new ATOM 0 HA LEU A 68 90.299 -2.073 2.467 1.00 0.00 H new ATOM 0 HB2 LEU A 68 91.006 0.155 4.460 1.00 0.00 H new ATOM 0 HB3 LEU A 68 90.366 0.406 2.848 1.00 0.00 H new ATOM 0 HG LEU A 68 88.933 -1.098 5.087 1.00 0.00 H new ATOM 0 HD11 LEU A 68 87.427 0.883 5.081 1.00 0.00 H new ATOM 0 HD12 LEU A 68 89.098 1.353 5.472 1.00 0.00 H new ATOM 0 HD13 LEU A 68 88.447 1.653 3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 68 86.991 -1.061 3.552 1.00 0.00 H new ATOM 0 HD22 LEU A 68 87.994 -0.295 2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 68 88.356 -1.951 2.838 1.00 0.00 H new ATOM 1060 N ARG A 69 92.648 -2.042 1.619 1.00 0.00 N ATOM 1061 CA ARG A 69 93.987 -1.899 1.031 1.00 0.00 C ATOM 1062 C ARG A 69 93.906 -0.883 -0.115 1.00 0.00 C ATOM 1063 O ARG A 69 92.827 -0.352 -0.383 1.00 0.00 O ATOM 1064 CB ARG A 69 94.511 -3.271 0.526 1.00 0.00 C ATOM 1065 CG ARG A 69 93.756 -4.418 1.212 1.00 0.00 C ATOM 1066 CD ARG A 69 94.385 -5.760 0.821 1.00 0.00 C ATOM 1067 NE ARG A 69 93.518 -6.859 1.243 1.00 0.00 N ATOM 1068 CZ ARG A 69 93.586 -8.060 0.671 1.00 0.00 C ATOM 1069 NH1 ARG A 69 94.655 -8.413 0.011 1.00 0.00 N ATOM 1070 NH2 ARG A 69 92.574 -8.886 0.765 1.00 0.00 N1+ ATOM 0 H ARG A 69 92.007 -2.621 1.076 1.00 0.00 H new ATOM 0 HA ARG A 69 94.689 -1.542 1.784 1.00 0.00 H new ATOM 0 HB2 ARG A 69 94.386 -3.340 -0.555 1.00 0.00 H new ATOM 0 HB3 ARG A 69 95.578 -3.357 0.729 1.00 0.00 H new ATOM 0 HG2 ARG A 69 93.789 -4.292 2.294 1.00 0.00 H new ATOM 0 HG3 ARG A 69 92.706 -4.400 0.921 1.00 0.00 H new ATOM 0 HD2 ARG A 69 94.537 -5.799 -0.258 1.00 0.00 H new ATOM 0 HD3 ARG A 69 95.366 -5.861 1.285 1.00 0.00 H new ATOM 0 HE ARG A 69 92.845 -6.702 1.993 1.00 0.00 H new ATOM 0 HH11 ARG A 69 95.442 -7.769 -0.068 1.00 0.00 H new ATOM 0 HH12 ARG A 69 94.704 -9.333 -0.426 1.00 0.00 H new ATOM 0 HH21 ARG A 69 91.735 -8.609 1.276 1.00 0.00 H new ATOM 0 HH22 ARG A 69 92.624 -9.806 0.328 1.00 0.00 H new ATOM 1084 N PRO A 70 94.986 -0.597 -0.801 1.00 0.00 N ATOM 1085 CA PRO A 70 94.949 0.376 -1.922 1.00 0.00 C ATOM 1086 C PRO A 70 94.102 -0.169 -3.065 1.00 0.00 C ATOM 1087 O PRO A 70 93.418 0.578 -3.761 1.00 0.00 O ATOM 1088 CB PRO A 70 96.429 0.600 -2.316 1.00 0.00 C ATOM 1089 CG PRO A 70 97.263 -0.218 -1.356 1.00 0.00 C ATOM 1090 CD PRO A 70 96.321 -1.173 -0.606 1.00 0.00 C ATOM 0 HA PRO A 70 94.485 1.324 -1.649 1.00 0.00 H new ATOM 0 HB2 PRO A 70 96.607 0.289 -3.345 1.00 0.00 H new ATOM 0 HB3 PRO A 70 96.691 1.656 -2.253 1.00 0.00 H new ATOM 0 HG2 PRO A 70 98.025 -0.780 -1.896 1.00 0.00 H new ATOM 0 HG3 PRO A 70 97.785 0.433 -0.654 1.00 0.00 H new ATOM 0 HD2 PRO A 70 96.380 -2.185 -1.007 1.00 0.00 H new ATOM 0 HD3 PRO A 70 96.577 -1.234 0.452 1.00 0.00 H new ATOM 1098 N GLN A 71 94.161 -1.478 -3.248 1.00 0.00 N ATOM 1099 CA GLN A 71 93.398 -2.116 -4.312 1.00 0.00 C ATOM 1100 C GLN A 71 91.912 -1.849 -4.133 1.00 0.00 C ATOM 1101 O GLN A 71 91.255 -1.359 -5.049 1.00 0.00 O ATOM 1102 CB GLN A 71 93.635 -3.628 -4.327 1.00 0.00 C ATOM 1103 CG GLN A 71 92.861 -4.270 -5.496 1.00 0.00 C ATOM 1104 CD GLN A 71 93.201 -5.758 -5.584 1.00 0.00 C ATOM 1105 OE1 GLN A 71 94.181 -6.199 -4.985 1.00 0.00 O ATOM 1106 NE2 GLN A 71 92.451 -6.567 -6.291 1.00 0.00 N ATOM 0 H GLN A 71 94.722 -2.115 -2.682 1.00 0.00 H new ATOM 0 HA GLN A 71 93.735 -1.694 -5.259 1.00 0.00 H new ATOM 0 HB2 GLN A 71 94.700 -3.837 -4.427 1.00 0.00 H new ATOM 0 HB3 GLN A 71 93.312 -4.065 -3.382 1.00 0.00 H new ATOM 0 HG2 GLN A 71 91.789 -4.140 -5.350 1.00 0.00 H new ATOM 0 HG3 GLN A 71 93.118 -3.773 -6.431 1.00 0.00 H new ATOM 0 HE21 GLN A 71 91.638 -6.204 -6.789 1.00 0.00 H new ATOM 0 HE22 GLN A 71 92.680 -7.560 -6.344 1.00 0.00 H new ATOM 1115 N ASP A 72 91.361 -2.213 -2.976 1.00 0.00 N ATOM 1116 CA ASP A 72 89.930 -2.047 -2.749 1.00 0.00 C ATOM 1117 C ASP A 72 89.445 -0.643 -3.121 1.00 0.00 C ATOM 1118 O ASP A 72 88.335 -0.504 -3.634 1.00 0.00 O ATOM 1119 CB ASP A 72 89.591 -2.341 -1.275 1.00 0.00 C ATOM 1120 CG ASP A 72 89.474 -3.849 -1.033 1.00 0.00 C ATOM 1121 OD1 ASP A 72 89.552 -4.600 -1.994 1.00 0.00 O1- ATOM 1122 OD2 ASP A 72 89.310 -4.231 0.117 1.00 0.00 O ATOM 0 H ASP A 72 91.875 -2.618 -2.194 1.00 0.00 H new ATOM 0 HA ASP A 72 89.415 -2.757 -3.396 1.00 0.00 H new ATOM 0 HB2 ASP A 72 90.364 -1.924 -0.629 1.00 0.00 H new ATOM 0 HB3 ASP A 72 88.654 -1.852 -1.008 1.00 0.00 H new ATOM 1127 N SER A 73 90.226 0.407 -2.855 1.00 0.00 N ATOM 1128 CA SER A 73 89.769 1.752 -3.191 1.00 0.00 C ATOM 1129 C SER A 73 89.203 1.787 -4.606 1.00 0.00 C ATOM 1130 O SER A 73 89.889 1.443 -5.568 1.00 0.00 O ATOM 1131 CB SER A 73 90.932 2.742 -3.075 1.00 0.00 C ATOM 1132 OG SER A 73 91.659 2.755 -4.298 1.00 0.00 O ATOM 0 H SER A 73 91.148 0.355 -2.422 1.00 0.00 H new ATOM 0 HA SER A 73 88.982 2.035 -2.492 1.00 0.00 H new ATOM 0 HB2 SER A 73 90.555 3.740 -2.852 1.00 0.00 H new ATOM 0 HB3 SER A 73 91.587 2.457 -2.252 1.00 0.00 H new ATOM 0 HG SER A 73 92.323 2.034 -4.292 1.00 0.00 H new ATOM 1138 N CYS A 74 87.939 2.183 -4.724 1.00 0.00 N ATOM 1139 CA CYS A 74 87.291 2.231 -6.032 1.00 0.00 C ATOM 1140 C CYS A 74 86.048 3.110 -5.995 1.00 0.00 C ATOM 1141 O CYS A 74 86.065 4.200 -5.425 1.00 0.00 O ATOM 1142 CB CYS A 74 86.908 0.813 -6.465 1.00 0.00 C ATOM 1143 SG CYS A 74 86.563 0.784 -8.243 1.00 0.00 S ATOM 0 H CYS A 74 87.350 2.471 -3.943 1.00 0.00 H new ATOM 0 HA CYS A 74 87.991 2.660 -6.749 1.00 0.00 H new ATOM 0 HB2 CYS A 74 87.717 0.121 -6.231 1.00 0.00 H new ATOM 0 HB3 CYS A 74 86.032 0.478 -5.910 1.00 0.00 H new ATOM 0 HG CYS A 74 86.302 1.989 -8.654 1.00 0.00 H new ATOM 1149 N ARG A 75 84.980 2.654 -6.652 1.00 0.00 N ATOM 1150 CA ARG A 75 83.732 3.416 -6.726 1.00 0.00 C ATOM 1151 C ARG A 75 82.605 2.754 -5.948 1.00 0.00 C ATOM 1152 O ARG A 75 82.377 1.546 -6.056 1.00 0.00 O ATOM 1153 CB ARG A 75 83.303 3.559 -8.188 1.00 0.00 C ATOM 1154 CG ARG A 75 82.003 4.371 -8.273 1.00 0.00 C ATOM 1155 CD ARG A 75 81.591 4.517 -9.733 1.00 0.00 C ATOM 1156 NE ARG A 75 80.457 5.421 -9.857 1.00 0.00 N ATOM 1157 CZ ARG A 75 79.924 5.680 -11.044 1.00 0.00 C ATOM 1158 NH1 ARG A 75 80.587 5.387 -12.130 1.00 0.00 N ATOM 1159 NH2 ARG A 75 78.753 6.248 -11.125 1.00 0.00 N1+ ATOM 0 H ARG A 75 84.954 1.759 -7.141 1.00 0.00 H new ATOM 0 HA ARG A 75 83.923 4.392 -6.281 1.00 0.00 H new ATOM 0 HB2 ARG A 75 84.089 4.053 -8.760 1.00 0.00 H new ATOM 0 HB3 ARG A 75 83.157 2.574 -8.631 1.00 0.00 H new ATOM 0 HG2 ARG A 75 81.214 3.874 -7.709 1.00 0.00 H new ATOM 0 HG3 ARG A 75 82.145 5.354 -7.824 1.00 0.00 H new ATOM 0 HD2 ARG A 75 82.430 4.895 -10.317 1.00 0.00 H new ATOM 0 HD3 ARG A 75 81.331 3.541 -10.143 1.00 0.00 H new ATOM 0 HE ARG A 75 80.068 5.860 -9.023 1.00 0.00 H new ATOM 0 HH11 ARG A 75 81.511 4.961 -12.064 1.00 0.00 H new ATOM 0 HH12 ARG A 75 80.181 5.585 -13.044 1.00 0.00 H new ATOM 0 HH21 ARG A 75 78.246 6.494 -10.275 1.00 0.00 H new ATOM 0 HH22 ARG A 75 78.345 6.447 -12.038 1.00 0.00 H new ATOM 1173 N VAL A 76 81.872 3.576 -5.203 1.00 0.00 N ATOM 1174 CA VAL A 76 80.722 3.109 -4.437 1.00 0.00 C ATOM 1175 C VAL A 76 79.436 3.573 -5.131 1.00 0.00 C ATOM 1176 O VAL A 76 79.124 4.763 -5.131 1.00 0.00 O ATOM 1177 CB VAL A 76 80.784 3.678 -3.014 1.00 0.00 C ATOM 1178 CG1 VAL A 76 79.727 2.999 -2.145 1.00 0.00 C ATOM 1179 CG2 VAL A 76 82.178 3.438 -2.412 1.00 0.00 C ATOM 0 H VAL A 76 82.056 4.575 -5.114 1.00 0.00 H new ATOM 0 HA VAL A 76 80.733 2.020 -4.382 1.00 0.00 H new ATOM 0 HB VAL A 76 80.592 4.750 -3.050 1.00 0.00 H new ATOM 0 HG11 VAL A 76 79.772 3.404 -1.134 1.00 0.00 H new ATOM 0 HG12 VAL A 76 78.738 3.182 -2.565 1.00 0.00 H new ATOM 0 HG13 VAL A 76 79.916 1.926 -2.115 1.00 0.00 H new ATOM 0 HG21 VAL A 76 82.213 3.845 -1.402 1.00 0.00 H new ATOM 0 HG22 VAL A 76 82.381 2.368 -2.379 1.00 0.00 H new ATOM 0 HG23 VAL A 76 82.930 3.931 -3.028 1.00 0.00 H new ATOM 1189 N THR A 77 78.695 2.634 -5.737 1.00 0.00 N ATOM 1190 CA THR A 77 77.452 2.974 -6.446 1.00 0.00 C ATOM 1191 C THR A 77 76.279 2.149 -5.925 1.00 0.00 C ATOM 1192 O THR A 77 76.357 0.925 -5.835 1.00 0.00 O ATOM 1193 CB THR A 77 77.634 2.733 -7.951 1.00 0.00 C ATOM 1194 OG1 THR A 77 78.659 3.588 -8.437 1.00 0.00 O ATOM 1195 CG2 THR A 77 76.336 3.034 -8.703 1.00 0.00 C ATOM 0 H THR A 77 78.931 1.642 -5.751 1.00 0.00 H new ATOM 0 HA THR A 77 77.231 4.026 -6.268 1.00 0.00 H new ATOM 0 HB THR A 77 77.902 1.689 -8.111 1.00 0.00 H new ATOM 0 HG1 THR A 77 78.782 3.438 -9.398 1.00 0.00 H new ATOM 0 HG21 THR A 77 76.484 2.858 -9.768 1.00 0.00 H new ATOM 0 HG22 THR A 77 75.543 2.384 -8.334 1.00 0.00 H new ATOM 0 HG23 THR A 77 76.056 4.075 -8.543 1.00 0.00 H new ATOM 1203 N PHE A 78 75.192 2.843 -5.580 1.00 0.00 N ATOM 1204 CA PHE A 78 73.978 2.200 -5.066 1.00 0.00 C ATOM 1205 C PHE A 78 72.755 2.782 -5.765 1.00 0.00 C ATOM 1206 O PHE A 78 72.525 3.985 -5.702 1.00 0.00 O ATOM 1207 CB PHE A 78 73.869 2.434 -3.555 1.00 0.00 C ATOM 1208 CG PHE A 78 72.564 1.867 -3.042 1.00 0.00 C ATOM 1209 CD1 PHE A 78 72.357 0.484 -3.035 1.00 0.00 C ATOM 1210 CD2 PHE A 78 71.567 2.724 -2.562 1.00 0.00 C ATOM 1211 CE1 PHE A 78 71.158 -0.045 -2.552 1.00 0.00 C ATOM 1212 CE2 PHE A 78 70.369 2.195 -2.074 1.00 0.00 C ATOM 1213 CZ PHE A 78 70.166 0.810 -2.069 1.00 0.00 C ATOM 0 H PHE A 78 75.127 3.859 -5.648 1.00 0.00 H new ATOM 0 HA PHE A 78 74.028 1.129 -5.261 1.00 0.00 H new ATOM 0 HB2 PHE A 78 74.708 1.962 -3.043 1.00 0.00 H new ATOM 0 HB3 PHE A 78 73.923 3.501 -3.338 1.00 0.00 H new ATOM 0 HD1 PHE A 78 73.127 -0.177 -3.404 1.00 0.00 H new ATOM 0 HD2 PHE A 78 71.723 3.793 -2.569 1.00 0.00 H new ATOM 0 HE1 PHE A 78 70.999 -1.113 -2.552 1.00 0.00 H new ATOM 0 HE2 PHE A 78 69.600 2.855 -1.701 1.00 0.00 H new ATOM 0 HZ PHE A 78 69.240 0.402 -1.691 1.00 0.00 H new ATOM 1223 N LEU A 79 71.969 1.933 -6.437 1.00 0.00 N ATOM 1224 CA LEU A 79 70.774 2.407 -7.152 1.00 0.00 C ATOM 1225 C LEU A 79 69.499 1.748 -6.634 1.00 0.00 C ATOM 1226 O LEU A 79 69.177 0.616 -6.976 1.00 0.00 O ATOM 1227 CB LEU A 79 70.963 2.141 -8.667 1.00 0.00 C ATOM 1228 CG LEU A 79 69.628 2.104 -9.493 1.00 0.00 C ATOM 1229 CD1 LEU A 79 69.014 0.677 -9.556 1.00 0.00 C ATOM 1230 CD2 LEU A 79 68.579 3.117 -8.969 1.00 0.00 C ATOM 0 H LEU A 79 72.133 0.928 -6.502 1.00 0.00 H new ATOM 0 HA LEU A 79 70.660 3.477 -6.976 1.00 0.00 H new ATOM 0 HB2 LEU A 79 71.610 2.914 -9.081 1.00 0.00 H new ATOM 0 HB3 LEU A 79 71.481 1.190 -8.794 1.00 0.00 H new ATOM 0 HG LEU A 79 69.901 2.400 -10.506 1.00 0.00 H new ATOM 0 HD11 LEU A 79 68.093 0.703 -10.138 1.00 0.00 H new ATOM 0 HD12 LEU A 79 69.722 -0.003 -10.028 1.00 0.00 H new ATOM 0 HD13 LEU A 79 68.796 0.330 -8.546 1.00 0.00 H new ATOM 0 HD21 LEU A 79 67.675 3.051 -9.575 1.00 0.00 H new ATOM 0 HD22 LEU A 79 68.338 2.887 -7.931 1.00 0.00 H new ATOM 0 HD23 LEU A 79 68.985 4.127 -9.032 1.00 0.00 H new ATOM 1242 N ALA A 80 68.768 2.497 -5.810 1.00 0.00 N ATOM 1243 CA ALA A 80 67.498 2.038 -5.253 1.00 0.00 C ATOM 1244 C ALA A 80 66.372 2.807 -5.945 1.00 0.00 C ATOM 1245 O ALA A 80 66.011 3.906 -5.523 1.00 0.00 O ATOM 1246 CB ALA A 80 67.458 2.304 -3.749 1.00 0.00 C ATOM 0 H ALA A 80 69.038 3.434 -5.511 1.00 0.00 H new ATOM 0 HA ALA A 80 67.382 0.966 -5.416 1.00 0.00 H new ATOM 0 HB1 ALA A 80 66.507 1.958 -3.344 1.00 0.00 H new ATOM 0 HB2 ALA A 80 68.275 1.771 -3.263 1.00 0.00 H new ATOM 0 HB3 ALA A 80 67.563 3.373 -3.566 1.00 0.00 H new ATOM 1252 N GLY A 81 65.817 2.221 -7.003 1.00 0.00 N ATOM 1253 CA GLY A 81 64.734 2.869 -7.742 1.00 0.00 C ATOM 1254 C GLY A 81 65.201 4.209 -8.301 1.00 0.00 C ATOM 1255 O GLY A 81 66.396 4.440 -8.451 1.00 0.00 O ATOM 0 H GLY A 81 66.094 1.309 -7.366 1.00 0.00 H new ATOM 0 HA2 GLY A 81 64.403 2.224 -8.556 1.00 0.00 H new ATOM 0 HA3 GLY A 81 63.877 3.020 -7.086 1.00 0.00 H new ATOM 1259 N ASP A 82 64.260 5.084 -8.624 1.00 0.00 N ATOM 1260 CA ASP A 82 64.588 6.394 -9.190 1.00 0.00 C ATOM 1261 C ASP A 82 65.598 7.185 -8.346 1.00 0.00 C ATOM 1262 O ASP A 82 65.802 8.375 -8.592 1.00 0.00 O ATOM 1263 CB ASP A 82 63.314 7.227 -9.307 1.00 0.00 C ATOM 1264 CG ASP A 82 63.581 8.447 -10.178 1.00 0.00 C ATOM 1265 OD1 ASP A 82 64.496 8.382 -10.987 1.00 0.00 O1- ATOM 1266 OD2 ASP A 82 62.871 9.428 -10.024 1.00 0.00 O ATOM 0 H ASP A 82 63.261 4.915 -8.506 1.00 0.00 H new ATOM 0 HA ASP A 82 65.042 6.206 -10.163 1.00 0.00 H new ATOM 0 HB2 ASP A 82 62.513 6.627 -9.739 1.00 0.00 H new ATOM 0 HB3 ASP A 82 62.980 7.540 -8.318 1.00 0.00 H new ATOM 1271 N MET A 83 66.220 6.549 -7.350 1.00 0.00 N ATOM 1272 CA MET A 83 67.189 7.236 -6.489 1.00 0.00 C ATOM 1273 C MET A 83 68.579 6.628 -6.629 1.00 0.00 C ATOM 1274 O MET A 83 68.772 5.449 -6.350 1.00 0.00 O ATOM 1275 CB MET A 83 66.741 7.110 -5.032 1.00 0.00 C ATOM 1276 CG MET A 83 65.254 7.522 -4.874 1.00 0.00 C ATOM 1277 SD MET A 83 64.268 6.097 -4.322 1.00 0.00 S ATOM 1278 CE MET A 83 64.951 5.942 -2.649 1.00 0.00 C ATOM 0 H MET A 83 66.072 5.566 -7.120 1.00 0.00 H new ATOM 0 HA MET A 83 67.234 8.282 -6.791 1.00 0.00 H new ATOM 0 HB2 MET A 83 66.876 6.083 -4.693 1.00 0.00 H new ATOM 0 HB3 MET A 83 67.366 7.739 -4.399 1.00 0.00 H new ATOM 0 HG2 MET A 83 65.168 8.335 -4.153 1.00 0.00 H new ATOM 0 HG3 MET A 83 64.869 7.895 -5.823 1.00 0.00 H new ATOM 0 HE1 MET A 83 65.245 4.908 -2.470 1.00 0.00 H new ATOM 0 HE2 MET A 83 65.823 6.589 -2.551 1.00 0.00 H new ATOM 0 HE3 MET A 83 64.197 6.236 -1.919 1.00 0.00 H new ATOM 1288 N VAL A 84 69.551 7.444 -7.047 1.00 0.00 N ATOM 1289 CA VAL A 84 70.932 6.974 -7.206 1.00 0.00 C ATOM 1290 C VAL A 84 71.891 7.816 -6.369 1.00 0.00 C ATOM 1291 O VAL A 84 71.894 9.043 -6.450 1.00 0.00 O ATOM 1292 CB VAL A 84 71.355 7.054 -8.679 1.00 0.00 C ATOM 1293 CG1 VAL A 84 70.391 6.228 -9.544 1.00 0.00 C ATOM 1294 CG2 VAL A 84 71.359 8.520 -9.145 1.00 0.00 C ATOM 0 H VAL A 84 69.410 8.427 -7.280 1.00 0.00 H new ATOM 0 HA VAL A 84 70.974 5.939 -6.867 1.00 0.00 H new ATOM 0 HB VAL A 84 72.361 6.648 -8.784 1.00 0.00 H new ATOM 0 HG11 VAL A 84 70.696 6.289 -10.589 1.00 0.00 H new ATOM 0 HG12 VAL A 84 70.412 5.188 -9.220 1.00 0.00 H new ATOM 0 HG13 VAL A 84 69.380 6.621 -9.438 1.00 0.00 H new ATOM 0 HG21 VAL A 84 71.660 8.568 -10.191 1.00 0.00 H new ATOM 0 HG22 VAL A 84 70.359 8.939 -9.036 1.00 0.00 H new ATOM 0 HG23 VAL A 84 72.061 9.093 -8.539 1.00 0.00 H new ATOM 1304 N THR A 85 72.718 7.140 -5.579 1.00 0.00 N ATOM 1305 CA THR A 85 73.711 7.806 -4.736 1.00 0.00 C ATOM 1306 C THR A 85 75.076 7.194 -5.030 1.00 0.00 C ATOM 1307 O THR A 85 75.210 5.975 -5.052 1.00 0.00 O ATOM 1308 CB THR A 85 73.361 7.611 -3.245 1.00 0.00 C ATOM 1309 OG1 THR A 85 74.029 6.460 -2.754 1.00 0.00 O ATOM 1310 CG2 THR A 85 71.850 7.415 -3.089 1.00 0.00 C ATOM 0 H THR A 85 72.722 6.123 -5.503 1.00 0.00 H new ATOM 0 HA THR A 85 73.722 8.875 -4.950 1.00 0.00 H new ATOM 0 HB THR A 85 73.674 8.492 -2.684 1.00 0.00 H new ATOM 0 HG1 THR A 85 74.290 5.888 -3.505 1.00 0.00 H new ATOM 0 HG21 THR A 85 71.608 7.278 -2.035 1.00 0.00 H new ATOM 0 HG22 THR A 85 71.328 8.293 -3.470 1.00 0.00 H new ATOM 0 HG23 THR A 85 71.537 6.535 -3.651 1.00 0.00 H new ATOM 1318 N SER A 86 76.083 8.027 -5.261 1.00 0.00 N ATOM 1319 CA SER A 86 77.428 7.520 -5.554 1.00 0.00 C ATOM 1320 C SER A 86 78.487 8.466 -5.011 1.00 0.00 C ATOM 1321 O SER A 86 78.335 9.686 -5.068 1.00 0.00 O ATOM 1322 CB SER A 86 77.614 7.376 -7.063 1.00 0.00 C ATOM 1323 OG SER A 86 77.203 8.578 -7.694 1.00 0.00 O ATOM 0 H SER A 86 76.002 9.044 -5.253 1.00 0.00 H new ATOM 0 HA SER A 86 77.538 6.548 -5.074 1.00 0.00 H new ATOM 0 HB2 SER A 86 78.658 7.166 -7.296 1.00 0.00 H new ATOM 0 HB3 SER A 86 77.029 6.535 -7.436 1.00 0.00 H new ATOM 0 HG SER A 86 77.321 8.495 -8.663 1.00 0.00 H new ATOM 1329 N ALA A 87 79.551 7.891 -4.452 1.00 0.00 N ATOM 1330 CA ALA A 87 80.627 8.688 -3.867 1.00 0.00 C ATOM 1331 C ALA A 87 81.968 7.986 -4.042 1.00 0.00 C ATOM 1332 O ALA A 87 82.028 6.773 -4.247 1.00 0.00 O ATOM 1333 CB ALA A 87 80.360 8.907 -2.376 1.00 0.00 C ATOM 0 H ALA A 87 79.690 6.882 -4.392 1.00 0.00 H new ATOM 0 HA ALA A 87 80.661 9.650 -4.379 1.00 0.00 H new ATOM 0 HB1 ALA A 87 81.166 9.502 -1.946 1.00 0.00 H new ATOM 0 HB2 ALA A 87 79.413 9.432 -2.249 1.00 0.00 H new ATOM 0 HB3 ALA A 87 80.310 7.943 -1.870 1.00 0.00 H new ATOM 1339 N PHE A 88 83.035 8.773 -3.985 1.00 0.00 N ATOM 1340 CA PHE A 88 84.386 8.259 -4.161 1.00 0.00 C ATOM 1341 C PHE A 88 84.909 7.571 -2.908 1.00 0.00 C ATOM 1342 O PHE A 88 84.435 7.806 -1.792 1.00 0.00 O ATOM 1343 CB PHE A 88 85.318 9.412 -4.499 1.00 0.00 C ATOM 1344 CG PHE A 88 84.937 9.984 -5.836 1.00 0.00 C ATOM 1345 CD1 PHE A 88 85.344 9.346 -7.012 1.00 0.00 C ATOM 1346 CD2 PHE A 88 84.174 11.156 -5.898 1.00 0.00 C ATOM 1347 CE1 PHE A 88 84.988 9.882 -8.251 1.00 0.00 C ATOM 1348 CE2 PHE A 88 83.818 11.689 -7.138 1.00 0.00 C ATOM 1349 CZ PHE A 88 84.226 11.054 -8.315 1.00 0.00 C ATOM 0 H PHE A 88 82.989 9.778 -3.817 1.00 0.00 H new ATOM 0 HA PHE A 88 84.354 7.524 -4.965 1.00 0.00 H new ATOM 0 HB2 PHE A 88 85.256 10.182 -3.730 1.00 0.00 H new ATOM 0 HB3 PHE A 88 86.351 9.065 -4.520 1.00 0.00 H new ATOM 0 HD1 PHE A 88 85.932 8.441 -6.962 1.00 0.00 H new ATOM 0 HD2 PHE A 88 83.861 11.647 -4.988 1.00 0.00 H new ATOM 0 HE1 PHE A 88 85.301 9.392 -9.161 1.00 0.00 H new ATOM 0 HE2 PHE A 88 83.227 12.592 -7.188 1.00 0.00 H new ATOM 0 HZ PHE A 88 83.953 11.468 -9.274 1.00 0.00 H new ATOM 1359 N LEU A 89 85.924 6.738 -3.123 1.00 0.00 N ATOM 1360 CA LEU A 89 86.583 6.003 -2.055 1.00 0.00 C ATOM 1361 C LEU A 89 88.089 6.194 -2.190 1.00 0.00 C ATOM 1362 O LEU A 89 88.621 6.183 -3.299 1.00 0.00 O ATOM 1363 CB LEU A 89 86.224 4.520 -2.165 1.00 0.00 C ATOM 1364 CG LEU A 89 86.923 3.712 -1.068 1.00 0.00 C ATOM 1365 CD1 LEU A 89 86.537 4.258 0.319 1.00 0.00 C ATOM 1366 CD2 LEU A 89 86.492 2.247 -1.190 1.00 0.00 C ATOM 0 H LEU A 89 86.312 6.555 -4.049 1.00 0.00 H new ATOM 0 HA LEU A 89 86.257 6.371 -1.082 1.00 0.00 H new ATOM 0 HB2 LEU A 89 85.144 4.395 -2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 89 86.516 4.142 -3.145 1.00 0.00 H new ATOM 0 HG LEU A 89 88.004 3.793 -1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 89 87.040 3.676 1.092 1.00 0.00 H new ATOM 0 HD12 LEU A 89 86.840 5.302 0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 89 85.458 4.183 0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 89 86.982 1.658 -0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 89 85.411 2.175 -1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 89 86.776 1.865 -2.170 1.00 0.00 H new ATOM 1378 N THR A 90 88.775 6.374 -1.069 1.00 0.00 N ATOM 1379 CA THR A 90 90.223 6.574 -1.092 1.00 0.00 C ATOM 1380 C THR A 90 90.879 5.858 0.075 1.00 0.00 C ATOM 1381 O THR A 90 90.486 6.045 1.227 1.00 0.00 O ATOM 1382 CB THR A 90 90.536 8.068 -1.001 1.00 0.00 C ATOM 1383 OG1 THR A 90 89.948 8.594 0.175 1.00 0.00 O ATOM 1384 CG2 THR A 90 89.961 8.794 -2.216 1.00 0.00 C ATOM 0 H THR A 90 88.359 6.386 -0.138 1.00 0.00 H new ATOM 0 HA THR A 90 90.614 6.167 -2.024 1.00 0.00 H new ATOM 0 HB THR A 90 91.616 8.209 -0.975 1.00 0.00 H new ATOM 0 HG1 THR A 90 89.816 7.873 0.826 1.00 0.00 H new ATOM 0 HG21 THR A 90 90.187 9.858 -2.145 1.00 0.00 H new ATOM 0 HG22 THR A 90 90.404 8.389 -3.126 1.00 0.00 H new ATOM 0 HG23 THR A 90 88.880 8.654 -2.246 1.00 0.00 H new ATOM 1392 N VAL A 91 91.899 5.054 -0.222 1.00 0.00 N ATOM 1393 CA VAL A 91 92.621 4.335 0.828 1.00 0.00 C ATOM 1394 C VAL A 91 94.124 4.403 0.568 1.00 0.00 C ATOM 1395 O VAL A 91 94.595 4.003 -0.499 1.00 0.00 O ATOM 1396 CB VAL A 91 92.172 2.868 0.857 1.00 0.00 C ATOM 1397 CG1 VAL A 91 92.823 2.151 2.042 1.00 0.00 C ATOM 1398 CG2 VAL A 91 90.651 2.795 1.003 1.00 0.00 C ATOM 0 H VAL A 91 92.241 4.885 -1.168 1.00 0.00 H new ATOM 0 HA VAL A 91 92.402 4.800 1.789 1.00 0.00 H new ATOM 0 HB VAL A 91 92.474 2.387 -0.073 1.00 0.00 H new ATOM 0 HG11 VAL A 91 92.501 1.110 2.059 1.00 0.00 H new ATOM 0 HG12 VAL A 91 93.908 2.194 1.942 1.00 0.00 H new ATOM 0 HG13 VAL A 91 92.524 2.638 2.970 1.00 0.00 H new ATOM 0 HG21 VAL A 91 90.337 1.751 1.023 1.00 0.00 H new ATOM 0 HG22 VAL A 91 90.351 3.282 1.931 1.00 0.00 H new ATOM 0 HG23 VAL A 91 90.180 3.299 0.159 1.00 0.00 H new ATOM 1408 N ARG A 92 94.874 4.929 1.538 1.00 0.00 N ATOM 1409 CA ARG A 92 96.325 5.057 1.388 1.00 0.00 C ATOM 1410 C ARG A 92 97.029 3.828 1.952 1.00 0.00 C ATOM 1411 O ARG A 92 96.792 3.436 3.094 1.00 0.00 O ATOM 1412 CB ARG A 92 96.823 6.306 2.126 1.00 0.00 C ATOM 1413 CG ARG A 92 98.309 6.531 1.808 1.00 0.00 C ATOM 1414 CD ARG A 92 98.854 7.697 2.640 1.00 0.00 C ATOM 1415 NE ARG A 92 98.217 8.951 2.243 1.00 0.00 N ATOM 1416 CZ ARG A 92 98.654 9.659 1.201 1.00 0.00 C ATOM 1417 NH1 ARG A 92 99.857 10.166 1.206 1.00 0.00 N ATOM 1418 NH2 ARG A 92 97.873 9.855 0.172 1.00 0.00 N1+ ATOM 0 H ARG A 92 94.506 5.270 2.426 1.00 0.00 H new ATOM 0 HA ARG A 92 96.553 5.145 0.326 1.00 0.00 H new ATOM 0 HB2 ARG A 92 96.240 7.176 1.824 1.00 0.00 H new ATOM 0 HB3 ARG A 92 96.684 6.186 3.200 1.00 0.00 H new ATOM 0 HG2 ARG A 92 98.876 5.625 2.022 1.00 0.00 H new ATOM 0 HG3 ARG A 92 98.434 6.742 0.746 1.00 0.00 H new ATOM 0 HD2 ARG A 92 98.675 7.511 3.699 1.00 0.00 H new ATOM 0 HD3 ARG A 92 99.933 7.773 2.508 1.00 0.00 H new ATOM 0 HE ARG A 92 97.418 9.293 2.777 1.00 0.00 H new ATOM 0 HH11 ARG A 92 100.468 10.021 2.010 1.00 0.00 H new ATOM 0 HH12 ARG A 92 100.186 10.707 0.406 1.00 0.00 H new ATOM 0 HH21 ARG A 92 96.930 9.467 0.166 1.00 0.00 H new ATOM 0 HH22 ARG A 92 98.206 10.396 -0.626 1.00 0.00 H new