USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 640 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 78 ASN : amide:sc= 0.81 K(o=2.1,f=-13!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ 169:sc= 1.26 (180deg=0) USER MOD Set 2.1: A 4 LYS NZ :NH3+ -179:sc= 1.01 (180deg=0.767) USER MOD Set 2.2: A 10 TYR OH : rot 180:sc= 0.0327 USER MOD Set 3.1: A 5 HIS : no HD1:sc= -1.44 X(o=-1.8,f=-2.1!) USER MOD Set 3.2: A 6 SER OG : rot -158:sc= -0.308 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0218 USER MOD Single : A 20 LYS NZ :NH3+ 173:sc= 1.22 (180deg=1.18) USER MOD Single : A 21 LYS NZ :NH3+ -141:sc= -0.015 (180deg=-1.12) USER MOD Single : A 23 CYS SG : rot 69:sc= 0.926 USER MOD Single : A 29 THR OG1 : rot 9:sc= 0.661 USER MOD Single : A 34 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 35 LYS NZ :NH3+ 179:sc= 0.159 (180deg=0.144) USER MOD Single : A 44 THR OG1 : rot -81:sc= 0.682 USER MOD Single : A 46 HIS : no HD1:sc= -0.724 K(o=-0.72,f=-4) USER MOD Single : A 50 SER OG : rot -97:sc= 1.31 USER MOD Single : A 54 TYR OH : rot 6:sc= 1.3 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.836 USER MOD Single : A 69 LYS NZ :NH3+ -153:sc= 1.29 (180deg=1.12) USER MOD Single : A 72 LYS NZ :NH3+ -117:sc= 1.26 (180deg=-0.13) USER MOD Single : A 81 SER OG : rot 180:sc= 0.00958 USER MOD Single : A 84 LYS NZ :NH3+ -163:sc= 1.25 (180deg=1.01) USER MOD Single : A 85 GLN : amide:sc= -1.36! C(o=-1.4!,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 4 9.338 10.685 -4.040 1.00 0.00 N ATOM 36 CA LYS A 4 8.136 11.412 -3.722 1.00 0.00 C ATOM 37 C LYS A 4 8.325 12.238 -2.478 1.00 0.00 C ATOM 38 O LYS A 4 9.418 12.264 -1.897 1.00 0.00 O ATOM 39 CB LYS A 4 6.951 10.449 -3.503 1.00 0.00 C ATOM 40 CG LYS A 4 7.128 9.421 -2.370 1.00 0.00 C ATOM 41 CD LYS A 4 8.026 8.252 -2.769 1.00 0.00 C ATOM 42 CE LYS A 4 8.144 7.233 -1.655 1.00 0.00 C ATOM 43 NZ LYS A 4 8.868 6.012 -2.104 1.00 0.00 N ATOM 0 HA LYS A 4 7.919 12.067 -4.566 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.059 11.041 -3.296 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.768 9.910 -4.433 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.552 9.918 -1.497 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.150 9.039 -2.076 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.624 7.772 -3.661 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.017 8.626 -3.027 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.668 7.677 -0.809 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.149 6.959 -1.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.915 5.329 -1.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.363 5.584 -2.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.832 6.269 -2.398 1.00 0.00 H new ATOM 57 N HIS A 5 7.287 12.934 -2.090 1.00 0.00 N ATOM 58 CA HIS A 5 7.292 13.638 -0.842 1.00 0.00 C ATOM 59 C HIS A 5 6.495 12.847 0.193 1.00 0.00 C ATOM 60 O HIS A 5 6.721 12.991 1.387 1.00 0.00 O ATOM 61 CB HIS A 5 6.760 15.086 -0.990 1.00 0.00 C ATOM 62 CG HIS A 5 5.293 15.230 -1.343 1.00 0.00 C ATOM 63 ND1 HIS A 5 4.806 15.281 -2.627 1.00 0.00 N ATOM 64 CD2 HIS A 5 4.213 15.350 -0.535 1.00 0.00 C ATOM 65 CE1 HIS A 5 3.480 15.425 -2.562 1.00 0.00 C ATOM 66 NE2 HIS A 5 3.069 15.470 -1.309 1.00 0.00 N ATOM 0 H HIS A 5 6.425 13.026 -2.627 1.00 0.00 H new ATOM 0 HA HIS A 5 8.323 13.727 -0.499 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.940 15.614 -0.053 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.348 15.590 -1.758 1.00 0.00 H new ATOM 0 HD2 HIS A 5 4.239 15.352 0.545 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.830 15.495 -3.422 1.00 0.00 H new ATOM 0 HE2 HIS A 5 2.109 15.572 -0.979 1.00 0.00 H new ATOM 74 N SER A 6 5.572 11.996 -0.288 1.00 0.00 N ATOM 75 CA SER A 6 4.730 11.184 0.580 1.00 0.00 C ATOM 76 C SER A 6 3.895 10.242 -0.271 1.00 0.00 C ATOM 77 O SER A 6 4.041 10.210 -1.505 1.00 0.00 O ATOM 78 CB SER A 6 3.781 12.091 1.378 1.00 0.00 C ATOM 79 OG SER A 6 2.864 12.747 0.510 1.00 0.00 O ATOM 0 H SER A 6 5.396 11.859 -1.283 1.00 0.00 H new ATOM 0 HA SER A 6 5.363 10.617 1.263 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.235 11.498 2.112 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.358 12.831 1.932 1.00 0.00 H new ATOM 0 HG SER A 6 2.517 13.552 0.949 1.00 0.00 H new ATOM 85 N ILE A 7 3.009 9.511 0.389 1.00 0.00 N ATOM 86 CA ILE A 7 2.038 8.638 -0.252 1.00 0.00 C ATOM 87 C ILE A 7 1.061 9.488 -1.083 1.00 0.00 C ATOM 88 O ILE A 7 0.551 9.050 -2.099 1.00 0.00 O ATOM 89 CB ILE A 7 1.238 7.839 0.827 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.221 6.889 0.184 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.548 8.783 1.810 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.629 6.137 1.185 1.00 0.00 C ATOM 0 H ILE A 7 2.944 9.508 1.407 1.00 0.00 H new ATOM 0 HA ILE A 7 2.563 7.936 -0.899 1.00 0.00 H new ATOM 0 HB ILE A 7 1.955 7.233 1.381 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.431 7.462 -0.475 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.753 6.170 -0.440 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.001 8.200 2.550 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.297 9.395 2.313 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.144 9.428 1.270 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.324 5.485 0.655 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.013 5.536 1.829 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.189 6.847 1.793 1.00 0.00 H new ATOM 104 N SER A 8 0.884 10.730 -0.658 1.00 0.00 N ATOM 105 CA SER A 8 -0.026 11.645 -1.275 1.00 0.00 C ATOM 106 C SER A 8 0.510 12.122 -2.638 1.00 0.00 C ATOM 107 O SER A 8 -0.218 12.720 -3.428 1.00 0.00 O ATOM 108 CB SER A 8 -0.329 12.807 -0.290 1.00 0.00 C ATOM 109 OG SER A 8 -1.144 13.814 -0.857 1.00 0.00 O ATOM 0 H SER A 8 1.383 11.124 0.140 1.00 0.00 H new ATOM 0 HA SER A 8 -0.970 11.145 -1.491 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.821 12.406 0.596 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.610 13.251 0.040 1.00 0.00 H new ATOM 0 HG SER A 8 -1.303 14.518 -0.194 1.00 0.00 H new ATOM 115 N ASP A 9 1.790 11.870 -2.914 1.00 0.00 N ATOM 116 CA ASP A 9 2.318 12.173 -4.254 1.00 0.00 C ATOM 117 C ASP A 9 1.922 11.074 -5.239 1.00 0.00 C ATOM 118 O ASP A 9 1.792 11.313 -6.443 1.00 0.00 O ATOM 119 CB ASP A 9 3.831 12.365 -4.262 1.00 0.00 C ATOM 120 CG ASP A 9 4.369 12.685 -5.658 1.00 0.00 C ATOM 121 OD1 ASP A 9 4.021 13.758 -6.226 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.168 11.896 -6.195 1.00 0.00 O ATOM 0 H ASP A 9 2.463 11.472 -2.259 1.00 0.00 H new ATOM 0 HA ASP A 9 1.875 13.120 -4.563 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.096 13.172 -3.579 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.312 11.461 -3.888 1.00 0.00 H new ATOM 127 N TYR A 10 1.701 9.886 -4.715 1.00 0.00 N ATOM 128 CA TYR A 10 1.276 8.762 -5.522 1.00 0.00 C ATOM 129 C TYR A 10 -0.201 8.865 -5.775 1.00 0.00 C ATOM 130 O TYR A 10 -0.946 9.368 -4.933 1.00 0.00 O ATOM 131 CB TYR A 10 1.532 7.418 -4.813 1.00 0.00 C ATOM 132 CG TYR A 10 2.968 6.962 -4.719 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.788 7.351 -3.671 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.495 6.097 -5.673 1.00 0.00 C ATOM 135 CE1 TYR A 10 5.075 6.898 -3.583 1.00 0.00 C ATOM 136 CE2 TYR A 10 4.794 5.646 -5.585 1.00 0.00 C ATOM 137 CZ TYR A 10 5.578 6.052 -4.535 1.00 0.00 C ATOM 138 OH TYR A 10 6.880 5.604 -4.426 1.00 0.00 O ATOM 0 H TYR A 10 1.810 9.673 -3.723 1.00 0.00 H new ATOM 0 HA TYR A 10 1.848 8.792 -6.449 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.130 7.485 -3.802 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.964 6.646 -5.332 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.405 8.020 -2.915 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.875 5.774 -6.496 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.698 7.209 -2.758 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.191 4.979 -6.336 1.00 0.00 H new ATOM 0 HH TYR A 10 7.086 5.011 -5.178 1.00 0.00 H new ATOM 148 N THR A 11 -0.632 8.442 -6.918 1.00 0.00 N ATOM 149 CA THR A 11 -2.028 8.338 -7.166 1.00 0.00 C ATOM 150 C THR A 11 -2.469 6.965 -6.676 1.00 0.00 C ATOM 151 O THR A 11 -1.606 6.111 -6.387 1.00 0.00 O ATOM 152 CB THR A 11 -2.330 8.485 -8.663 1.00 0.00 C ATOM 153 OG1 THR A 11 -1.539 7.542 -9.400 1.00 0.00 O ATOM 154 CG2 THR A 11 -2.031 9.903 -9.139 1.00 0.00 C ATOM 0 H THR A 11 -0.034 8.163 -7.695 1.00 0.00 H new ATOM 0 HA THR A 11 -2.565 9.132 -6.646 1.00 0.00 H new ATOM 0 HB THR A 11 -3.389 8.287 -8.831 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.730 7.632 -10.357 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.252 9.984 -10.203 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.648 10.610 -8.585 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.978 10.129 -8.969 1.00 0.00 H new ATOM 162 N GLU A 12 -3.764 6.735 -6.580 1.00 0.00 N ATOM 163 CA GLU A 12 -4.280 5.452 -6.127 1.00 0.00 C ATOM 164 C GLU A 12 -3.799 4.351 -7.082 1.00 0.00 C ATOM 165 O GLU A 12 -3.410 3.283 -6.654 1.00 0.00 O ATOM 166 CB GLU A 12 -5.818 5.491 -6.050 1.00 0.00 C ATOM 167 CG GLU A 12 -6.457 4.301 -5.343 1.00 0.00 C ATOM 168 CD GLU A 12 -7.967 4.389 -5.305 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.501 5.368 -4.772 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.649 3.461 -5.800 1.00 0.00 O ATOM 0 H GLU A 12 -4.483 7.421 -6.810 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.906 5.237 -5.126 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.118 6.404 -5.536 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.216 5.550 -7.063 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.163 3.382 -5.849 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.075 4.240 -4.324 1.00 0.00 H new ATOM 177 N ALA A 13 -3.751 4.683 -8.367 1.00 0.00 N ATOM 178 CA ALA A 13 -3.303 3.771 -9.412 1.00 0.00 C ATOM 179 C ALA A 13 -1.819 3.407 -9.251 1.00 0.00 C ATOM 180 O ALA A 13 -1.449 2.231 -9.329 1.00 0.00 O ATOM 181 CB ALA A 13 -3.554 4.382 -10.778 1.00 0.00 C ATOM 0 H ALA A 13 -4.025 5.602 -8.716 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.877 2.849 -9.321 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.216 3.693 -11.552 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.620 4.572 -10.901 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.006 5.321 -10.863 1.00 0.00 H new ATOM 187 N GLU A 14 -0.984 4.409 -8.997 1.00 0.00 N ATOM 188 CA GLU A 14 0.466 4.203 -8.807 1.00 0.00 C ATOM 189 C GLU A 14 0.757 3.496 -7.512 1.00 0.00 C ATOM 190 O GLU A 14 1.729 2.742 -7.395 1.00 0.00 O ATOM 191 CB GLU A 14 1.203 5.527 -8.864 1.00 0.00 C ATOM 192 CG GLU A 14 1.224 6.139 -10.240 1.00 0.00 C ATOM 193 CD GLU A 14 2.002 5.297 -11.198 1.00 0.00 C ATOM 194 OE1 GLU A 14 3.256 5.332 -11.143 1.00 0.00 O ATOM 195 OE2 GLU A 14 1.395 4.591 -12.027 1.00 0.00 O ATOM 0 H GLU A 14 -1.279 5.382 -8.916 1.00 0.00 H new ATOM 0 HA GLU A 14 0.820 3.569 -9.620 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.735 6.226 -8.170 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.228 5.379 -8.524 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.203 6.257 -10.603 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.662 7.136 -10.190 1.00 0.00 H new ATOM 202 N PHE A 15 -0.072 3.733 -6.548 1.00 0.00 N ATOM 203 CA PHE A 15 0.034 3.067 -5.291 1.00 0.00 C ATOM 204 C PHE A 15 -0.437 1.649 -5.453 1.00 0.00 C ATOM 205 O PHE A 15 0.043 0.770 -4.831 1.00 0.00 O ATOM 206 CB PHE A 15 -0.749 3.798 -4.228 1.00 0.00 C ATOM 207 CG PHE A 15 -0.518 3.273 -2.859 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.577 3.691 -2.132 1.00 0.00 C ATOM 209 CD2 PHE A 15 -1.397 2.376 -2.292 1.00 0.00 C ATOM 210 CE1 PHE A 15 0.792 3.219 -0.869 1.00 0.00 C ATOM 211 CE2 PHE A 15 -1.192 1.906 -1.030 1.00 0.00 C ATOM 212 CZ PHE A 15 -0.096 2.325 -0.319 1.00 0.00 C ATOM 0 H PHE A 15 -0.844 4.396 -6.610 1.00 0.00 H new ATOM 0 HA PHE A 15 1.074 3.058 -4.965 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.483 4.855 -4.253 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.812 3.731 -4.460 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.270 4.397 -2.565 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.257 2.042 -2.854 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.654 3.546 -0.306 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.889 1.207 -0.591 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.070 1.950 0.680 1.00 0.00 H new ATOM 222 N LEU A 16 -1.367 1.445 -6.306 1.00 0.00 N ATOM 223 CA LEU A 16 -1.859 0.117 -6.601 1.00 0.00 C ATOM 224 C LEU A 16 -0.791 -0.682 -7.312 1.00 0.00 C ATOM 225 O LEU A 16 -0.760 -1.912 -7.269 1.00 0.00 O ATOM 226 CB LEU A 16 -3.161 0.264 -7.371 1.00 0.00 C ATOM 227 CG LEU A 16 -3.999 -0.940 -7.508 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.435 -0.539 -7.709 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.578 -1.730 -8.654 1.00 0.00 C ATOM 0 H LEU A 16 -1.825 2.188 -6.834 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.081 -0.451 -5.698 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.756 1.037 -6.885 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.924 0.627 -8.371 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.893 -1.533 -6.599 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.051 -1.432 -7.810 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.774 0.041 -6.851 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.521 0.065 -8.612 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.209 -2.615 -8.738 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.669 -1.132 -9.561 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.540 -2.036 -8.523 1.00 0.00 H new ATOM 241 N GLU A 17 0.082 0.006 -7.918 1.00 0.00 N ATOM 242 CA GLU A 17 1.227 -0.613 -8.471 1.00 0.00 C ATOM 243 C GLU A 17 2.252 -0.962 -7.361 1.00 0.00 C ATOM 244 O GLU A 17 3.071 -1.833 -7.564 1.00 0.00 O ATOM 245 CB GLU A 17 1.873 0.217 -9.575 1.00 0.00 C ATOM 246 CG GLU A 17 1.041 0.367 -10.839 1.00 0.00 C ATOM 247 CD GLU A 17 0.725 -0.958 -11.496 1.00 0.00 C ATOM 248 OE1 GLU A 17 1.672 -1.677 -11.921 1.00 0.00 O ATOM 249 OE2 GLU A 17 -0.470 -1.314 -11.599 1.00 0.00 O ATOM 0 H GLU A 17 0.033 1.016 -8.050 1.00 0.00 H new ATOM 0 HA GLU A 17 0.891 -1.538 -8.939 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.091 1.210 -9.182 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.828 -0.238 -9.839 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.109 0.878 -10.596 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.576 1.000 -11.547 1.00 0.00 H new ATOM 256 N PHE A 18 2.164 -0.284 -6.169 1.00 0.00 N ATOM 257 CA PHE A 18 3.090 -0.551 -5.008 1.00 0.00 C ATOM 258 C PHE A 18 3.034 -1.998 -4.688 1.00 0.00 C ATOM 259 O PHE A 18 4.046 -2.687 -4.626 1.00 0.00 O ATOM 260 CB PHE A 18 2.734 0.293 -3.668 1.00 0.00 C ATOM 261 CG PHE A 18 1.994 -0.459 -2.456 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.597 -0.571 -2.376 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.722 -1.035 -1.423 1.00 0.00 C ATOM 264 CE1 PHE A 18 -0.023 -1.237 -1.304 1.00 0.00 C ATOM 265 CE2 PHE A 18 2.097 -1.691 -0.363 1.00 0.00 C ATOM 266 CZ PHE A 18 0.735 -1.790 -0.311 1.00 0.00 C ATOM 0 H PHE A 18 1.472 0.442 -5.986 1.00 0.00 H new ATOM 0 HA PHE A 18 4.085 -0.232 -5.319 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.665 0.707 -3.281 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.110 1.136 -3.964 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.014 -0.137 -3.154 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.800 -0.973 -1.441 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.100 -1.311 -1.266 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.695 -2.125 0.425 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.260 -2.303 0.512 1.00 0.00 H new ATOM 276 N VAL A 19 1.839 -2.443 -4.559 1.00 0.00 N ATOM 277 CA VAL A 19 1.548 -3.756 -4.115 1.00 0.00 C ATOM 278 C VAL A 19 1.866 -4.793 -5.172 1.00 0.00 C ATOM 279 O VAL A 19 2.527 -5.775 -4.879 1.00 0.00 O ATOM 280 CB VAL A 19 0.094 -3.843 -3.578 1.00 0.00 C ATOM 281 CG1 VAL A 19 -0.916 -3.405 -4.601 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.220 -5.202 -2.997 1.00 0.00 C ATOM 0 H VAL A 19 1.010 -1.886 -4.766 1.00 0.00 H new ATOM 0 HA VAL A 19 2.204 -3.991 -3.277 1.00 0.00 H new ATOM 0 HB VAL A 19 0.021 -3.134 -2.753 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.918 -3.483 -4.180 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.721 -2.371 -4.885 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.842 -4.043 -5.482 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.248 -5.214 -2.635 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.098 -5.964 -3.767 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.459 -5.410 -2.170 1.00 0.00 H new ATOM 292 N LYS A 20 1.462 -4.531 -6.408 1.00 0.00 N ATOM 293 CA LYS A 20 1.750 -5.439 -7.512 1.00 0.00 C ATOM 294 C LYS A 20 3.248 -5.592 -7.663 1.00 0.00 C ATOM 295 O LYS A 20 3.755 -6.682 -7.946 1.00 0.00 O ATOM 296 CB LYS A 20 1.244 -4.885 -8.803 1.00 0.00 C ATOM 297 CG LYS A 20 -0.225 -4.706 -8.896 1.00 0.00 C ATOM 298 CD LYS A 20 -0.530 -4.164 -10.232 1.00 0.00 C ATOM 299 CE LYS A 20 -1.983 -3.960 -10.498 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.189 -3.429 -11.866 1.00 0.00 N ATOM 0 H LYS A 20 0.935 -3.699 -6.672 1.00 0.00 H new ATOM 0 HA LYS A 20 1.267 -6.391 -7.291 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.720 -3.920 -8.974 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.563 -5.545 -9.610 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.736 -5.657 -8.744 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.577 -4.027 -8.119 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.014 -3.211 -10.350 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.127 -4.840 -10.986 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.516 -4.904 -10.384 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.399 -3.268 -9.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.207 -3.404 -12.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.799 -2.467 -11.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.706 -4.043 -12.553 1.00 0.00 H new ATOM 314 N LYS A 21 3.947 -4.474 -7.478 1.00 0.00 N ATOM 315 CA LYS A 21 5.379 -4.428 -7.545 1.00 0.00 C ATOM 316 C LYS A 21 5.960 -5.329 -6.486 1.00 0.00 C ATOM 317 O LYS A 21 6.817 -6.096 -6.775 1.00 0.00 O ATOM 318 CB LYS A 21 5.885 -2.988 -7.390 1.00 0.00 C ATOM 319 CG LYS A 21 7.388 -2.815 -7.529 1.00 0.00 C ATOM 320 CD LYS A 21 7.781 -1.343 -7.487 1.00 0.00 C ATOM 321 CE LYS A 21 7.502 -0.688 -6.137 1.00 0.00 C ATOM 322 NZ LYS A 21 7.837 0.754 -6.155 1.00 0.00 N ATOM 0 H LYS A 21 3.516 -3.572 -7.276 1.00 0.00 H new ATOM 0 HA LYS A 21 5.704 -4.783 -8.523 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.392 -2.364 -8.136 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.581 -2.616 -6.412 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.894 -3.352 -6.727 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.722 -3.256 -8.468 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.842 -1.250 -7.717 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.238 -0.806 -8.264 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.450 -0.815 -5.880 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.083 -1.188 -5.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.273 1.020 -5.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.504 0.946 -6.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.970 1.310 -6.299 1.00 0.00 H new ATOM 336 N ILE A 22 5.441 -5.264 -5.278 1.00 0.00 N ATOM 337 CA ILE A 22 5.904 -6.135 -4.194 1.00 0.00 C ATOM 338 C ILE A 22 5.656 -7.604 -4.569 1.00 0.00 C ATOM 339 O ILE A 22 6.523 -8.455 -4.405 1.00 0.00 O ATOM 340 CB ILE A 22 5.195 -5.788 -2.858 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.473 -4.327 -2.498 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.668 -6.716 -1.738 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.772 -3.835 -1.269 1.00 0.00 C ATOM 0 H ILE A 22 4.697 -4.619 -5.012 1.00 0.00 H new ATOM 0 HA ILE A 22 6.973 -5.977 -4.053 1.00 0.00 H new ATOM 0 HB ILE A 22 4.121 -5.929 -2.979 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.547 -4.200 -2.361 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.182 -3.699 -3.340 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.159 -6.456 -0.810 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.439 -7.749 -2.000 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.744 -6.606 -1.604 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.031 -2.791 -1.096 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.694 -3.924 -1.405 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.080 -4.432 -0.411 1.00 0.00 H new ATOM 355 N CYS A 23 4.486 -7.865 -5.125 1.00 0.00 N ATOM 356 CA CYS A 23 4.102 -9.183 -5.590 1.00 0.00 C ATOM 357 C CYS A 23 5.098 -9.752 -6.640 1.00 0.00 C ATOM 358 O CYS A 23 5.382 -10.948 -6.650 1.00 0.00 O ATOM 359 CB CYS A 23 2.685 -9.118 -6.184 1.00 0.00 C ATOM 360 SG CYS A 23 1.397 -8.618 -5.024 1.00 0.00 S ATOM 0 H CYS A 23 3.767 -7.156 -5.267 1.00 0.00 H new ATOM 0 HA CYS A 23 4.120 -9.859 -4.735 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.690 -8.421 -7.022 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.430 -10.098 -6.587 1.00 0.00 H new ATOM 0 HG CYS A 23 1.562 -7.369 -4.704 1.00 0.00 H new ATOM 366 N ARG A 24 5.609 -8.894 -7.518 1.00 0.00 N ATOM 367 CA ARG A 24 6.510 -9.342 -8.590 1.00 0.00 C ATOM 368 C ARG A 24 8.011 -9.106 -8.308 1.00 0.00 C ATOM 369 O ARG A 24 8.865 -9.833 -8.802 1.00 0.00 O ATOM 370 CB ARG A 24 6.107 -8.723 -9.928 1.00 0.00 C ATOM 371 CG ARG A 24 6.118 -7.217 -9.977 1.00 0.00 C ATOM 372 CD ARG A 24 5.781 -6.757 -11.365 1.00 0.00 C ATOM 373 NE ARG A 24 5.756 -5.292 -11.488 1.00 0.00 N ATOM 374 CZ ARG A 24 6.586 -4.567 -12.252 1.00 0.00 C ATOM 375 NH1 ARG A 24 7.630 -5.144 -12.848 1.00 0.00 N ATOM 376 NH2 ARG A 24 6.379 -3.259 -12.395 1.00 0.00 N ATOM 0 H ARG A 24 5.420 -7.892 -7.514 1.00 0.00 H new ATOM 0 HA ARG A 24 6.391 -10.425 -8.635 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.779 -9.099 -10.699 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.105 -9.070 -10.182 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.398 -6.814 -9.265 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.099 -6.841 -9.686 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.511 -7.164 -12.065 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.808 -7.158 -11.650 1.00 0.00 H new ATOM 0 HE ARG A 24 5.052 -4.787 -10.950 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.801 -6.142 -12.724 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.258 -4.587 -13.428 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.592 -2.813 -11.924 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.008 -2.704 -12.975 1.00 0.00 H new ATOM 390 N ALA A 25 8.313 -8.119 -7.507 1.00 0.00 N ATOM 391 CA ALA A 25 9.684 -7.681 -7.231 1.00 0.00 C ATOM 392 C ALA A 25 10.192 -8.204 -5.902 1.00 0.00 C ATOM 393 O ALA A 25 11.094 -7.603 -5.313 1.00 0.00 O ATOM 394 CB ALA A 25 9.790 -6.159 -7.287 1.00 0.00 C ATOM 0 H ALA A 25 7.607 -7.575 -7.010 1.00 0.00 H new ATOM 0 HA ALA A 25 10.319 -8.103 -8.010 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.817 -5.858 -7.079 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.504 -5.811 -8.279 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.125 -5.720 -6.543 1.00 0.00 H new ATOM 400 N GLU A 26 9.575 -9.310 -5.432 1.00 0.00 N ATOM 401 CA GLU A 26 9.927 -10.022 -4.166 1.00 0.00 C ATOM 402 C GLU A 26 11.446 -10.040 -3.930 1.00 0.00 C ATOM 403 O GLU A 26 11.916 -9.835 -2.821 1.00 0.00 O ATOM 404 CB GLU A 26 9.420 -11.471 -4.223 1.00 0.00 C ATOM 405 CG GLU A 26 7.931 -11.609 -4.501 1.00 0.00 C ATOM 406 CD GLU A 26 7.483 -13.050 -4.544 1.00 0.00 C ATOM 407 OE1 GLU A 26 7.633 -13.707 -5.603 1.00 0.00 O ATOM 408 OE2 GLU A 26 6.980 -13.564 -3.519 1.00 0.00 O ATOM 0 H GLU A 26 8.799 -9.749 -5.928 1.00 0.00 H new ATOM 0 HA GLU A 26 9.452 -9.484 -3.345 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.972 -12.005 -4.996 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.646 -11.959 -3.275 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.370 -11.080 -3.730 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.696 -11.130 -5.452 1.00 0.00 H new ATOM 415 N GLY A 27 12.197 -10.284 -4.984 1.00 0.00 N ATOM 416 CA GLY A 27 13.619 -10.210 -4.898 1.00 0.00 C ATOM 417 C GLY A 27 14.262 -11.537 -4.669 1.00 0.00 C ATOM 418 O GLY A 27 13.761 -12.577 -5.124 1.00 0.00 O ATOM 0 H GLY A 27 11.835 -10.534 -5.904 1.00 0.00 H new ATOM 0 HA2 GLY A 27 14.011 -9.777 -5.819 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.893 -9.535 -4.087 1.00 0.00 H new ATOM 422 N ALA A 28 15.365 -11.518 -3.976 1.00 0.00 N ATOM 423 CA ALA A 28 16.109 -12.719 -3.693 1.00 0.00 C ATOM 424 C ALA A 28 15.648 -13.327 -2.393 1.00 0.00 C ATOM 425 O ALA A 28 15.368 -14.528 -2.311 1.00 0.00 O ATOM 426 CB ALA A 28 17.593 -12.408 -3.623 1.00 0.00 C ATOM 0 H ALA A 28 15.777 -10.669 -3.589 1.00 0.00 H new ATOM 0 HA ALA A 28 15.934 -13.435 -4.496 1.00 0.00 H new ATOM 0 HB1 ALA A 28 18.147 -13.322 -3.409 1.00 0.00 H new ATOM 0 HB2 ALA A 28 17.924 -11.998 -4.577 1.00 0.00 H new ATOM 0 HB3 ALA A 28 17.775 -11.680 -2.833 1.00 0.00 H new ATOM 432 N THR A 29 15.555 -12.505 -1.385 1.00 0.00 N ATOM 433 CA THR A 29 15.189 -12.952 -0.079 1.00 0.00 C ATOM 434 C THR A 29 13.966 -12.216 0.431 1.00 0.00 C ATOM 435 O THR A 29 13.564 -11.200 -0.135 1.00 0.00 O ATOM 436 CB THR A 29 16.371 -12.793 0.906 1.00 0.00 C ATOM 437 OG1 THR A 29 16.938 -11.472 0.798 1.00 0.00 O ATOM 438 CG2 THR A 29 17.454 -13.830 0.643 1.00 0.00 C ATOM 0 H THR A 29 15.733 -11.503 -1.451 1.00 0.00 H new ATOM 0 HA THR A 29 14.938 -14.011 -0.148 1.00 0.00 H new ATOM 0 HB THR A 29 15.983 -12.944 1.913 1.00 0.00 H new ATOM 0 HG1 THR A 29 16.369 -10.918 0.224 1.00 0.00 H new ATOM 0 HG21 THR A 29 18.270 -13.691 1.352 1.00 0.00 H new ATOM 0 HG22 THR A 29 17.037 -14.830 0.761 1.00 0.00 H new ATOM 0 HG23 THR A 29 17.831 -13.712 -0.373 1.00 0.00 H new ATOM 446 N GLU A 30 13.406 -12.721 1.507 1.00 0.00 N ATOM 447 CA GLU A 30 12.219 -12.165 2.138 1.00 0.00 C ATOM 448 C GLU A 30 12.442 -10.713 2.552 1.00 0.00 C ATOM 449 O GLU A 30 11.529 -9.888 2.465 1.00 0.00 O ATOM 450 CB GLU A 30 11.863 -13.016 3.347 1.00 0.00 C ATOM 451 CG GLU A 30 10.742 -12.480 4.201 1.00 0.00 C ATOM 452 CD GLU A 30 10.609 -13.235 5.483 1.00 0.00 C ATOM 453 OE1 GLU A 30 11.382 -12.960 6.431 1.00 0.00 O ATOM 454 OE2 GLU A 30 9.733 -14.110 5.579 1.00 0.00 O ATOM 0 H GLU A 30 13.767 -13.548 1.982 1.00 0.00 H new ATOM 0 HA GLU A 30 11.396 -12.176 1.423 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.591 -14.013 3.002 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.752 -13.126 3.969 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.922 -11.427 4.417 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.805 -12.537 3.647 1.00 0.00 H new ATOM 461 N GLU A 31 13.663 -10.391 2.964 1.00 0.00 N ATOM 462 CA GLU A 31 13.971 -9.035 3.365 1.00 0.00 C ATOM 463 C GLU A 31 13.854 -8.073 2.182 1.00 0.00 C ATOM 464 O GLU A 31 13.580 -6.907 2.364 1.00 0.00 O ATOM 465 CB GLU A 31 15.350 -8.918 4.009 1.00 0.00 C ATOM 466 CG GLU A 31 16.523 -9.156 3.077 1.00 0.00 C ATOM 467 CD GLU A 31 17.827 -8.823 3.738 1.00 0.00 C ATOM 468 OE1 GLU A 31 18.068 -7.634 4.016 1.00 0.00 O ATOM 469 OE2 GLU A 31 18.630 -9.750 4.030 1.00 0.00 O ATOM 0 H GLU A 31 14.443 -11.045 3.027 1.00 0.00 H new ATOM 0 HA GLU A 31 13.234 -8.758 4.119 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.447 -7.922 4.442 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.410 -9.631 4.832 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.531 -10.199 2.759 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.404 -8.550 2.179 1.00 0.00 H new ATOM 476 N ASP A 32 14.025 -8.590 0.972 1.00 0.00 N ATOM 477 CA ASP A 32 13.927 -7.778 -0.235 1.00 0.00 C ATOM 478 C ASP A 32 12.492 -7.403 -0.489 1.00 0.00 C ATOM 479 O ASP A 32 12.199 -6.277 -0.910 1.00 0.00 O ATOM 480 CB ASP A 32 14.497 -8.495 -1.470 1.00 0.00 C ATOM 481 CG ASP A 32 15.974 -8.729 -1.408 1.00 0.00 C ATOM 482 OD1 ASP A 32 16.739 -7.746 -1.511 1.00 0.00 O ATOM 483 OD2 ASP A 32 16.407 -9.902 -1.262 1.00 0.00 O ATOM 0 H ASP A 32 14.233 -9.574 0.800 1.00 0.00 H new ATOM 0 HA ASP A 32 14.524 -6.882 -0.068 1.00 0.00 H new ATOM 0 HB2 ASP A 32 13.992 -9.454 -1.587 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.270 -7.905 -2.358 1.00 0.00 H new ATOM 488 N ASP A 33 11.616 -8.344 -0.237 1.00 0.00 N ATOM 489 CA ASP A 33 10.169 -8.161 -0.365 1.00 0.00 C ATOM 490 C ASP A 33 9.703 -7.194 0.698 1.00 0.00 C ATOM 491 O ASP A 33 9.163 -6.118 0.404 1.00 0.00 O ATOM 492 CB ASP A 33 9.473 -9.528 -0.170 1.00 0.00 C ATOM 493 CG ASP A 33 7.941 -9.500 -0.221 1.00 0.00 C ATOM 494 OD1 ASP A 33 7.295 -9.170 0.802 1.00 0.00 O ATOM 495 OD2 ASP A 33 7.370 -9.921 -1.247 1.00 0.00 O ATOM 0 H ASP A 33 11.881 -9.280 0.069 1.00 0.00 H new ATOM 0 HA ASP A 33 9.922 -7.765 -1.350 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.833 -10.212 -0.938 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.780 -9.939 0.792 1.00 0.00 H new ATOM 500 N ASN A 34 10.020 -7.537 1.931 1.00 0.00 N ATOM 501 CA ASN A 34 9.597 -6.798 3.087 1.00 0.00 C ATOM 502 C ASN A 34 10.192 -5.385 3.126 1.00 0.00 C ATOM 503 O ASN A 34 9.549 -4.465 3.604 1.00 0.00 O ATOM 504 CB ASN A 34 9.949 -7.578 4.351 1.00 0.00 C ATOM 505 CG ASN A 34 9.387 -6.973 5.621 1.00 0.00 C ATOM 506 OD1 ASN A 34 8.334 -6.337 5.627 1.00 0.00 O ATOM 507 ND2 ASN A 34 10.079 -7.170 6.700 1.00 0.00 N ATOM 0 H ASN A 34 10.590 -8.353 2.153 1.00 0.00 H new ATOM 0 HA ASN A 34 8.516 -6.674 3.030 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.579 -8.598 4.251 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.034 -7.639 4.438 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.754 -6.793 7.590 1.00 0.00 H new ATOM 0 HD22 ASN A 34 10.948 -7.702 6.658 1.00 0.00 H new ATOM 514 N LYS A 35 11.404 -5.186 2.586 1.00 0.00 N ATOM 515 CA LYS A 35 11.990 -3.841 2.607 1.00 0.00 C ATOM 516 C LYS A 35 11.218 -2.889 1.696 1.00 0.00 C ATOM 517 O LYS A 35 11.286 -1.668 1.864 1.00 0.00 O ATOM 518 CB LYS A 35 13.508 -3.806 2.305 1.00 0.00 C ATOM 519 CG LYS A 35 13.931 -4.038 0.852 1.00 0.00 C ATOM 520 CD LYS A 35 15.455 -3.938 0.734 1.00 0.00 C ATOM 521 CE LYS A 35 15.944 -3.913 -0.713 1.00 0.00 C ATOM 522 NZ LYS A 35 15.701 -5.175 -1.451 1.00 0.00 N ATOM 0 H LYS A 35 11.976 -5.907 2.147 1.00 0.00 H new ATOM 0 HA LYS A 35 11.893 -3.495 3.636 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.894 -2.837 2.620 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.995 -4.560 2.924 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.595 -5.019 0.518 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.458 -3.301 0.203 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.794 -3.035 1.241 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.910 -4.784 1.250 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.451 -3.095 -1.239 1.00 0.00 H new ATOM 0 HE3 LYS A 35 17.013 -3.699 -0.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.043 -5.077 -2.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 16.207 -5.954 -0.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.682 -5.381 -1.460 1.00 0.00 H new ATOM 536 N LEU A 36 10.489 -3.440 0.728 1.00 0.00 N ATOM 537 CA LEU A 36 9.615 -2.615 -0.074 1.00 0.00 C ATOM 538 C LEU A 36 8.406 -2.293 0.761 1.00 0.00 C ATOM 539 O LEU A 36 8.080 -1.131 0.969 1.00 0.00 O ATOM 540 CB LEU A 36 9.180 -3.301 -1.384 1.00 0.00 C ATOM 541 CG LEU A 36 10.287 -3.638 -2.383 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.697 -4.358 -3.588 1.00 0.00 C ATOM 543 CD2 LEU A 36 11.004 -2.369 -2.828 1.00 0.00 C ATOM 0 H LEU A 36 10.490 -4.432 0.490 1.00 0.00 H new ATOM 0 HA LEU A 36 10.155 -1.715 -0.366 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.660 -4.224 -1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.457 -2.655 -1.882 1.00 0.00 H new ATOM 0 HG LEU A 36 11.011 -4.293 -1.898 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.492 -4.595 -4.295 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.215 -5.280 -3.261 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.961 -3.716 -4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.789 -2.625 -3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.291 -1.695 -3.303 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.446 -1.878 -1.961 1.00 0.00 H new ATOM 555 N VAL A 37 7.798 -3.344 1.302 1.00 0.00 N ATOM 556 CA VAL A 37 6.591 -3.244 2.132 1.00 0.00 C ATOM 557 C VAL A 37 6.768 -2.202 3.243 1.00 0.00 C ATOM 558 O VAL A 37 5.936 -1.315 3.403 1.00 0.00 O ATOM 559 CB VAL A 37 6.242 -4.601 2.800 1.00 0.00 C ATOM 560 CG1 VAL A 37 4.932 -4.499 3.543 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.182 -5.733 1.794 1.00 0.00 C ATOM 0 H VAL A 37 8.129 -4.301 1.178 1.00 0.00 H new ATOM 0 HA VAL A 37 5.783 -2.946 1.464 1.00 0.00 H new ATOM 0 HB VAL A 37 7.041 -4.829 3.505 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.701 -5.458 4.006 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.010 -3.733 4.315 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.138 -4.232 2.846 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.935 -6.663 2.307 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.418 -5.516 1.047 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.150 -5.836 1.303 1.00 0.00 H new ATOM 571 N ARG A 38 7.882 -2.289 3.953 1.00 0.00 N ATOM 572 CA ARG A 38 8.164 -1.408 5.079 1.00 0.00 C ATOM 573 C ARG A 38 8.239 0.070 4.702 1.00 0.00 C ATOM 574 O ARG A 38 7.949 0.927 5.542 1.00 0.00 O ATOM 575 CB ARG A 38 9.429 -1.817 5.825 1.00 0.00 C ATOM 576 CG ARG A 38 9.361 -3.192 6.446 1.00 0.00 C ATOM 577 CD ARG A 38 10.579 -3.492 7.295 1.00 0.00 C ATOM 578 NE ARG A 38 11.838 -3.362 6.539 1.00 0.00 N ATOM 579 CZ ARG A 38 12.838 -4.262 6.522 1.00 0.00 C ATOM 580 NH1 ARG A 38 12.734 -5.413 7.197 1.00 0.00 N ATOM 581 NH2 ARG A 38 13.950 -3.998 5.831 1.00 0.00 N ATOM 0 H ARG A 38 8.617 -2.971 3.766 1.00 0.00 H new ATOM 0 HA ARG A 38 7.307 -1.527 5.742 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.272 -1.783 5.135 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.629 -1.086 6.608 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.463 -3.269 7.060 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.274 -3.941 5.659 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.599 -2.814 8.148 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.501 -4.504 7.693 1.00 0.00 H new ATOM 0 HE ARG A 38 11.962 -2.517 5.981 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.890 -5.616 7.732 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.499 -6.087 7.176 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.037 -3.119 5.321 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.712 -4.675 5.813 1.00 0.00 H new ATOM 595 N GLU A 39 8.634 0.404 3.466 1.00 0.00 N ATOM 596 CA GLU A 39 8.679 1.820 3.118 1.00 0.00 C ATOM 597 C GLU A 39 7.256 2.299 2.889 1.00 0.00 C ATOM 598 O GLU A 39 6.858 3.378 3.336 1.00 0.00 O ATOM 599 CB GLU A 39 9.588 2.158 1.896 1.00 0.00 C ATOM 600 CG GLU A 39 9.026 1.840 0.516 1.00 0.00 C ATOM 601 CD GLU A 39 9.858 2.442 -0.595 1.00 0.00 C ATOM 602 OE1 GLU A 39 9.768 3.683 -0.825 1.00 0.00 O ATOM 603 OE2 GLU A 39 10.604 1.693 -1.272 1.00 0.00 O ATOM 0 H GLU A 39 8.911 -0.248 2.732 1.00 0.00 H new ATOM 0 HA GLU A 39 9.141 2.347 3.953 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.823 3.222 1.931 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.529 1.620 2.013 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.978 0.759 0.386 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.005 2.215 0.447 1.00 0.00 H new ATOM 610 N PHE A 40 6.465 1.432 2.283 1.00 0.00 N ATOM 611 CA PHE A 40 5.096 1.727 1.975 1.00 0.00 C ATOM 612 C PHE A 40 4.259 1.788 3.237 1.00 0.00 C ATOM 613 O PHE A 40 3.396 2.649 3.366 1.00 0.00 O ATOM 614 CB PHE A 40 4.538 0.733 0.974 1.00 0.00 C ATOM 615 CG PHE A 40 5.199 0.809 -0.381 1.00 0.00 C ATOM 616 CD1 PHE A 40 5.055 1.934 -1.178 1.00 0.00 C ATOM 617 CD2 PHE A 40 5.936 -0.250 -0.864 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.644 1.990 -2.429 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.527 -0.202 -2.104 1.00 0.00 C ATOM 620 CZ PHE A 40 6.380 0.914 -2.888 1.00 0.00 C ATOM 0 H PHE A 40 6.765 0.501 1.993 1.00 0.00 H new ATOM 0 HA PHE A 40 5.054 2.712 1.510 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.655 -0.275 1.371 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.468 0.907 0.858 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.478 2.774 -0.820 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.052 -1.135 -0.256 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.529 2.870 -3.044 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.106 -1.041 -2.460 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.840 0.952 -3.865 1.00 0.00 H new ATOM 630 N GLU A 41 4.527 0.890 4.175 1.00 0.00 N ATOM 631 CA GLU A 41 3.898 0.914 5.484 1.00 0.00 C ATOM 632 C GLU A 41 4.137 2.219 6.203 1.00 0.00 C ATOM 633 O GLU A 41 3.290 2.675 6.947 1.00 0.00 O ATOM 634 CB GLU A 41 4.406 -0.203 6.355 1.00 0.00 C ATOM 635 CG GLU A 41 3.796 -1.550 6.096 1.00 0.00 C ATOM 636 CD GLU A 41 4.375 -2.575 7.000 1.00 0.00 C ATOM 637 OE1 GLU A 41 5.522 -2.992 6.797 1.00 0.00 O ATOM 638 OE2 GLU A 41 3.701 -2.954 7.991 1.00 0.00 O ATOM 0 H GLU A 41 5.188 0.124 4.047 1.00 0.00 H new ATOM 0 HA GLU A 41 2.829 0.792 5.307 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.485 -0.281 6.224 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.229 0.063 7.397 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.717 -1.499 6.241 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.965 -1.837 5.058 1.00 0.00 H new ATOM 645 N ARG A 42 5.271 2.837 5.973 1.00 0.00 N ATOM 646 CA ARG A 42 5.566 4.054 6.664 1.00 0.00 C ATOM 647 C ARG A 42 4.927 5.228 5.957 1.00 0.00 C ATOM 648 O ARG A 42 4.493 6.187 6.589 1.00 0.00 O ATOM 649 CB ARG A 42 7.055 4.231 6.806 1.00 0.00 C ATOM 650 CG ARG A 42 7.444 5.104 7.982 1.00 0.00 C ATOM 651 CD ARG A 42 6.804 4.594 9.286 1.00 0.00 C ATOM 652 NE ARG A 42 6.938 3.128 9.439 1.00 0.00 N ATOM 653 CZ ARG A 42 5.927 2.279 9.734 1.00 0.00 C ATOM 654 NH1 ARG A 42 4.727 2.744 10.090 1.00 0.00 N ATOM 655 NH2 ARG A 42 6.135 0.969 9.683 1.00 0.00 N ATOM 0 H ARG A 42 5.989 2.518 5.323 1.00 0.00 H new ATOM 0 HA ARG A 42 5.144 4.004 7.668 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.521 3.252 6.919 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.451 4.669 5.890 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.529 5.117 8.086 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.130 6.131 7.796 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.271 5.090 10.136 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.748 4.864 9.300 1.00 0.00 H new ATOM 0 HE ARG A 42 7.867 2.726 9.312 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.565 3.750 10.142 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.973 2.094 10.310 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.053 0.608 9.423 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.377 0.323 9.904 1.00 0.00 H new ATOM 669 N LEU A 43 4.857 5.131 4.649 1.00 0.00 N ATOM 670 CA LEU A 43 4.177 6.132 3.835 1.00 0.00 C ATOM 671 C LEU A 43 2.687 6.150 4.167 1.00 0.00 C ATOM 672 O LEU A 43 2.071 7.205 4.270 1.00 0.00 O ATOM 673 CB LEU A 43 4.357 5.833 2.341 1.00 0.00 C ATOM 674 CG LEU A 43 5.782 5.856 1.798 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.791 5.418 0.347 1.00 0.00 C ATOM 676 CD2 LEU A 43 6.389 7.248 1.933 1.00 0.00 C ATOM 0 H LEU A 43 5.265 4.364 4.115 1.00 0.00 H new ATOM 0 HA LEU A 43 4.616 7.105 4.057 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.933 4.849 2.139 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.768 6.556 1.777 1.00 0.00 H new ATOM 0 HG LEU A 43 6.386 5.162 2.382 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.813 5.437 -0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.395 4.406 0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.172 6.096 -0.241 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.406 7.241 1.540 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.787 7.963 1.372 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.409 7.536 2.984 1.00 0.00 H new ATOM 688 N THR A 44 2.137 4.976 4.359 1.00 0.00 N ATOM 689 CA THR A 44 0.734 4.806 4.661 1.00 0.00 C ATOM 690 C THR A 44 0.462 5.083 6.124 1.00 0.00 C ATOM 691 O THR A 44 -0.618 5.595 6.480 1.00 0.00 O ATOM 692 CB THR A 44 0.283 3.361 4.322 1.00 0.00 C ATOM 693 OG1 THR A 44 1.154 2.425 4.945 1.00 0.00 O ATOM 694 CG2 THR A 44 0.334 3.126 2.851 1.00 0.00 C ATOM 0 H THR A 44 2.657 4.100 4.310 1.00 0.00 H new ATOM 0 HA THR A 44 0.171 5.516 4.055 1.00 0.00 H new ATOM 0 HB THR A 44 -0.738 3.235 4.682 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.965 2.323 4.404 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.014 2.107 2.634 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.329 3.829 2.347 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.354 3.270 2.495 1.00 0.00 H new ATOM 702 N GLU A 45 1.472 4.771 6.951 1.00 0.00 N ATOM 703 CA GLU A 45 1.418 4.780 8.373 1.00 0.00 C ATOM 704 C GLU A 45 0.384 3.736 8.777 1.00 0.00 C ATOM 705 O GLU A 45 -0.296 3.825 9.817 1.00 0.00 O ATOM 706 CB GLU A 45 1.111 6.164 8.923 1.00 0.00 C ATOM 707 CG GLU A 45 1.594 6.300 10.329 1.00 0.00 C ATOM 708 CD GLU A 45 3.107 6.248 10.423 1.00 0.00 C ATOM 709 OE1 GLU A 45 3.758 7.307 10.331 1.00 0.00 O ATOM 710 OE2 GLU A 45 3.671 5.152 10.594 1.00 0.00 O ATOM 0 H GLU A 45 2.388 4.494 6.599 1.00 0.00 H new ATOM 0 HA GLU A 45 2.388 4.528 8.802 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.584 6.921 8.297 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.037 6.344 8.885 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.238 7.243 10.744 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.166 5.503 10.937 1.00 0.00 H new ATOM 717 N HIS A 46 0.308 2.712 7.937 1.00 0.00 N ATOM 718 CA HIS A 46 -0.642 1.686 8.095 1.00 0.00 C ATOM 719 C HIS A 46 -0.042 0.560 8.942 1.00 0.00 C ATOM 720 O HIS A 46 1.012 0.008 8.609 1.00 0.00 O ATOM 721 CB HIS A 46 -1.144 1.164 6.724 1.00 0.00 C ATOM 722 CG HIS A 46 -2.355 0.299 6.840 1.00 0.00 C ATOM 723 ND1 HIS A 46 -2.371 -0.873 7.531 1.00 0.00 N ATOM 724 CD2 HIS A 46 -3.633 0.547 6.504 1.00 0.00 C ATOM 725 CE1 HIS A 46 -3.621 -1.278 7.634 1.00 0.00 C ATOM 726 NE2 HIS A 46 -4.437 -0.459 7.016 1.00 0.00 N ATOM 0 H HIS A 46 0.921 2.595 7.130 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.512 2.087 8.614 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.370 2.013 6.079 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.346 0.600 6.241 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.977 1.393 5.928 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -3.933 -2.169 8.159 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.450 -0.544 6.930 1.00 0.00 H new ATOM 734 N PRO A 47 -0.747 0.189 10.010 1.00 0.00 N ATOM 735 CA PRO A 47 -0.308 -0.800 10.983 1.00 0.00 C ATOM 736 C PRO A 47 -0.006 -2.141 10.390 1.00 0.00 C ATOM 737 O PRO A 47 1.095 -2.649 10.480 1.00 0.00 O ATOM 738 CB PRO A 47 -1.519 -0.941 11.904 1.00 0.00 C ATOM 739 CG PRO A 47 -2.641 -0.256 11.259 1.00 0.00 C ATOM 740 CD PRO A 47 -2.051 0.733 10.356 1.00 0.00 C ATOM 0 HA PRO A 47 0.617 -0.480 11.462 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.755 -1.992 12.070 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -1.312 -0.503 12.880 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -3.264 -0.962 10.710 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -3.281 0.225 11.999 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.668 0.876 9.469 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.958 1.705 10.840 1.00 0.00 H new ATOM 748 N ASP A 48 -0.984 -2.676 9.740 1.00 0.00 N ATOM 749 CA ASP A 48 -0.920 -3.989 9.235 1.00 0.00 C ATOM 750 C ASP A 48 -0.660 -3.898 7.764 1.00 0.00 C ATOM 751 O ASP A 48 -1.070 -4.750 7.011 1.00 0.00 O ATOM 752 CB ASP A 48 -2.253 -4.712 9.464 1.00 0.00 C ATOM 753 CG ASP A 48 -2.840 -4.480 10.826 1.00 0.00 C ATOM 754 OD1 ASP A 48 -2.392 -5.087 11.809 1.00 0.00 O ATOM 755 OD2 ASP A 48 -3.777 -3.681 10.931 1.00 0.00 O ATOM 0 H ASP A 48 -1.863 -2.197 9.546 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.131 -4.545 9.741 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.968 -4.384 8.709 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.105 -5.782 9.319 1.00 0.00 H new ATOM 760 N GLY A 49 0.040 -2.830 7.356 1.00 0.00 N ATOM 761 CA GLY A 49 0.389 -2.627 5.916 1.00 0.00 C ATOM 762 C GLY A 49 1.124 -3.779 5.326 1.00 0.00 C ATOM 763 O GLY A 49 1.052 -4.020 4.127 1.00 0.00 O ATOM 0 H GLY A 49 0.377 -2.097 7.980 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.525 -2.457 5.347 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.997 -1.727 5.819 1.00 0.00 H new ATOM 767 N SER A 50 1.782 -4.503 6.154 1.00 0.00 N ATOM 768 CA SER A 50 2.453 -5.680 5.718 1.00 0.00 C ATOM 769 C SER A 50 1.467 -6.848 5.639 1.00 0.00 C ATOM 770 O SER A 50 1.361 -7.515 4.601 1.00 0.00 O ATOM 771 CB SER A 50 3.646 -5.946 6.614 1.00 0.00 C ATOM 772 OG SER A 50 3.349 -5.564 7.951 1.00 0.00 O ATOM 0 H SER A 50 1.873 -4.302 7.150 1.00 0.00 H new ATOM 0 HA SER A 50 2.845 -5.547 4.710 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.908 -7.004 6.580 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.512 -5.391 6.253 1.00 0.00 H new ATOM 0 HG SER A 50 3.697 -4.663 8.119 1.00 0.00 H new ATOM 778 N ASP A 51 0.679 -7.018 6.705 1.00 0.00 N ATOM 779 CA ASP A 51 -0.363 -8.066 6.799 1.00 0.00 C ATOM 780 C ASP A 51 -1.305 -7.985 5.618 1.00 0.00 C ATOM 781 O ASP A 51 -1.672 -8.981 5.086 1.00 0.00 O ATOM 782 CB ASP A 51 -1.186 -7.896 8.076 1.00 0.00 C ATOM 783 CG ASP A 51 -2.240 -8.976 8.306 1.00 0.00 C ATOM 784 OD1 ASP A 51 -3.371 -8.864 7.772 1.00 0.00 O ATOM 785 OD2 ASP A 51 -1.994 -9.898 9.106 1.00 0.00 O ATOM 0 H ASP A 51 0.740 -6.432 7.538 1.00 0.00 H new ATOM 0 HA ASP A 51 0.143 -9.031 6.809 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.508 -7.882 8.929 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.681 -6.925 8.046 1.00 0.00 H new ATOM 790 N LEU A 52 -1.627 -6.759 5.186 1.00 0.00 N ATOM 791 CA LEU A 52 -2.557 -6.508 4.069 1.00 0.00 C ATOM 792 C LEU A 52 -2.202 -7.303 2.842 1.00 0.00 C ATOM 793 O LEU A 52 -3.084 -7.845 2.157 1.00 0.00 O ATOM 794 CB LEU A 52 -2.565 -5.031 3.664 1.00 0.00 C ATOM 795 CG LEU A 52 -2.939 -4.020 4.724 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.036 -2.656 4.103 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.234 -4.403 5.418 1.00 0.00 C ATOM 0 H LEU A 52 -1.250 -5.907 5.601 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.538 -6.811 4.436 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.572 -4.778 3.293 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.256 -4.915 2.829 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.161 -4.005 5.487 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.306 -1.927 4.867 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.074 -2.386 3.667 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.798 -2.664 3.324 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.476 -3.657 6.175 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.039 -4.451 4.685 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.118 -5.377 5.893 1.00 0.00 H new ATOM 809 N ILE A 53 -0.919 -7.396 2.592 1.00 0.00 N ATOM 810 CA ILE A 53 -0.417 -8.038 1.394 1.00 0.00 C ATOM 811 C ILE A 53 -0.385 -9.531 1.593 1.00 0.00 C ATOM 812 O ILE A 53 -0.703 -10.311 0.697 1.00 0.00 O ATOM 813 CB ILE A 53 1.018 -7.539 1.076 1.00 0.00 C ATOM 814 CG1 ILE A 53 1.032 -6.008 1.030 1.00 0.00 C ATOM 815 CG2 ILE A 53 1.532 -8.132 -0.252 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.407 -5.415 0.874 1.00 0.00 C ATOM 0 H ILE A 53 -0.193 -7.031 3.208 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.077 -7.789 0.563 1.00 0.00 H new ATOM 0 HB ILE A 53 1.688 -7.877 1.866 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.407 -5.673 0.202 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.582 -5.623 1.945 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.539 -7.765 -0.449 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.549 -9.220 -0.182 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.871 -7.831 -1.065 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.334 -4.328 0.850 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.031 -5.718 1.715 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.853 -5.769 -0.055 1.00 0.00 H new ATOM 828 N TYR A 54 -0.065 -9.913 2.782 1.00 0.00 N ATOM 829 CA TYR A 54 0.168 -11.288 3.094 1.00 0.00 C ATOM 830 C TYR A 54 -1.117 -12.048 3.446 1.00 0.00 C ATOM 831 O TYR A 54 -1.285 -13.212 3.069 1.00 0.00 O ATOM 832 CB TYR A 54 1.173 -11.387 4.231 1.00 0.00 C ATOM 833 CG TYR A 54 2.537 -10.786 3.940 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.224 -11.074 2.764 1.00 0.00 C ATOM 835 CD2 TYR A 54 3.132 -9.925 4.843 1.00 0.00 C ATOM 836 CE1 TYR A 54 4.462 -10.516 2.509 1.00 0.00 C ATOM 837 CE2 TYR A 54 4.367 -9.368 4.598 1.00 0.00 C ATOM 838 CZ TYR A 54 5.026 -9.661 3.433 1.00 0.00 C ATOM 839 OH TYR A 54 6.275 -9.120 3.210 1.00 0.00 O ATOM 0 H TYR A 54 0.044 -9.278 3.573 1.00 0.00 H new ATOM 0 HA TYR A 54 0.569 -11.762 2.198 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.755 -10.893 5.108 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.304 -12.438 4.489 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.783 -11.743 2.040 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.617 -9.684 5.761 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.984 -10.748 1.593 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.815 -8.703 5.321 1.00 0.00 H new ATOM 0 HH TYR A 54 6.585 -9.371 2.315 1.00 0.00 H new ATOM 849 N TYR A 55 -2.003 -11.401 4.163 1.00 0.00 N ATOM 850 CA TYR A 55 -3.214 -12.007 4.647 1.00 0.00 C ATOM 851 C TYR A 55 -4.372 -11.019 4.450 1.00 0.00 C ATOM 852 O TYR A 55 -4.354 -9.917 5.001 1.00 0.00 O ATOM 853 CB TYR A 55 -3.100 -12.296 6.164 1.00 0.00 C ATOM 854 CG TYR A 55 -1.789 -12.913 6.622 1.00 0.00 C ATOM 855 CD1 TYR A 55 -1.539 -14.273 6.494 1.00 0.00 C ATOM 856 CD2 TYR A 55 -0.801 -12.114 7.192 1.00 0.00 C ATOM 857 CE1 TYR A 55 -0.336 -14.817 6.920 1.00 0.00 C ATOM 858 CE2 TYR A 55 0.395 -12.649 7.617 1.00 0.00 C ATOM 859 CZ TYR A 55 0.627 -13.999 7.480 1.00 0.00 C ATOM 860 OH TYR A 55 1.829 -14.533 7.909 1.00 0.00 O ATOM 0 H TYR A 55 -1.899 -10.422 4.430 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.385 -12.936 4.103 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.249 -11.362 6.705 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.913 -12.963 6.450 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.290 -14.915 6.058 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.976 -11.054 7.303 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.153 -15.876 6.814 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.148 -12.012 8.056 1.00 0.00 H new ATOM 0 HH TYR A 55 2.392 -13.819 8.276 1.00 0.00 H new ATOM 870 N PRO A 56 -5.370 -11.362 3.653 1.00 0.00 N ATOM 871 CA PRO A 56 -6.550 -10.521 3.490 1.00 0.00 C ATOM 872 C PRO A 56 -7.418 -10.544 4.749 1.00 0.00 C ATOM 873 O PRO A 56 -7.217 -11.402 5.633 1.00 0.00 O ATOM 874 CB PRO A 56 -7.293 -11.159 2.323 1.00 0.00 C ATOM 875 CG PRO A 56 -6.831 -12.577 2.301 1.00 0.00 C ATOM 876 CD PRO A 56 -5.422 -12.568 2.817 1.00 0.00 C ATOM 0 HA PRO A 56 -6.296 -9.476 3.315 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.372 -11.098 2.461 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -7.063 -10.654 1.385 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -7.469 -13.204 2.924 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.873 -12.984 1.291 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.200 -13.466 3.394 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.697 -12.524 2.004 1.00 0.00 H new ATOM 884 N ARG A 57 -8.351 -9.607 4.866 1.00 0.00 N ATOM 885 CA ARG A 57 -9.232 -9.617 6.014 1.00 0.00 C ATOM 886 C ARG A 57 -10.372 -10.628 5.854 1.00 0.00 C ATOM 887 O ARG A 57 -10.131 -11.842 5.763 1.00 0.00 O ATOM 888 CB ARG A 57 -9.756 -8.214 6.404 1.00 0.00 C ATOM 889 CG ARG A 57 -8.712 -7.294 7.024 1.00 0.00 C ATOM 890 CD ARG A 57 -9.362 -6.101 7.731 1.00 0.00 C ATOM 891 NE ARG A 57 -10.055 -5.183 6.817 1.00 0.00 N ATOM 892 CZ ARG A 57 -11.202 -4.525 7.088 1.00 0.00 C ATOM 893 NH1 ARG A 57 -11.942 -4.855 8.151 1.00 0.00 N ATOM 894 NH2 ARG A 57 -11.612 -3.564 6.272 1.00 0.00 N ATOM 0 H ARG A 57 -8.511 -8.853 4.198 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.617 -9.946 6.852 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.162 -7.733 5.514 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -10.580 -8.332 7.107 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.108 -7.856 7.737 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.036 -6.934 6.248 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.073 -6.470 8.470 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.595 -5.549 8.275 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.634 -5.030 5.901 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.642 -5.611 8.767 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.807 -4.351 8.346 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.062 -3.327 5.447 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.478 -3.062 6.470 1.00 0.00 H new ATOM 908 N ASP A 58 -11.582 -10.154 5.791 1.00 0.00 N ATOM 909 CA ASP A 58 -12.719 -11.050 5.625 1.00 0.00 C ATOM 910 C ASP A 58 -13.503 -10.749 4.377 1.00 0.00 C ATOM 911 O ASP A 58 -13.668 -11.591 3.517 1.00 0.00 O ATOM 912 CB ASP A 58 -13.618 -11.080 6.863 1.00 0.00 C ATOM 913 CG ASP A 58 -14.839 -11.958 6.676 1.00 0.00 C ATOM 914 OD1 ASP A 58 -14.701 -13.132 6.268 1.00 0.00 O ATOM 915 OD2 ASP A 58 -15.968 -11.483 6.917 1.00 0.00 O ATOM 0 H ASP A 58 -11.819 -9.164 5.850 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.306 -12.052 5.508 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.043 -11.440 7.716 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.938 -10.065 7.100 1.00 0.00 H new ATOM 920 N ASP A 59 -13.968 -9.556 4.278 1.00 0.00 N ATOM 921 CA ASP A 59 -14.733 -9.144 3.123 1.00 0.00 C ATOM 922 C ASP A 59 -13.839 -8.427 2.136 1.00 0.00 C ATOM 923 O ASP A 59 -14.115 -8.408 0.929 1.00 0.00 O ATOM 924 CB ASP A 59 -15.896 -8.248 3.555 1.00 0.00 C ATOM 925 CG ASP A 59 -16.676 -7.661 2.399 1.00 0.00 C ATOM 926 OD1 ASP A 59 -17.583 -8.334 1.866 1.00 0.00 O ATOM 927 OD2 ASP A 59 -16.403 -6.501 2.022 1.00 0.00 O ATOM 0 H ASP A 59 -13.838 -8.830 4.983 1.00 0.00 H new ATOM 0 HA ASP A 59 -15.144 -10.027 2.634 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -16.574 -8.826 4.183 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.508 -7.435 4.169 1.00 0.00 H new ATOM 932 N ARG A 60 -12.740 -7.868 2.651 1.00 0.00 N ATOM 933 CA ARG A 60 -11.826 -7.126 1.849 1.00 0.00 C ATOM 934 C ARG A 60 -11.206 -7.978 0.790 1.00 0.00 C ATOM 935 O ARG A 60 -10.739 -9.091 1.056 1.00 0.00 O ATOM 936 CB ARG A 60 -10.777 -6.453 2.706 1.00 0.00 C ATOM 937 CG ARG A 60 -9.888 -5.518 1.932 1.00 0.00 C ATOM 938 CD ARG A 60 -8.550 -6.121 1.518 1.00 0.00 C ATOM 939 NE ARG A 60 -7.656 -6.390 2.653 1.00 0.00 N ATOM 940 CZ ARG A 60 -6.525 -7.124 2.572 1.00 0.00 C ATOM 941 NH1 ARG A 60 -6.166 -7.677 1.404 1.00 0.00 N ATOM 942 NH2 ARG A 60 -5.764 -7.312 3.647 1.00 0.00 N ATOM 0 H ARG A 60 -12.480 -7.930 3.635 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.391 -6.345 1.340 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -11.271 -5.897 3.503 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -10.162 -7.217 3.183 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.417 -5.190 1.037 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.701 -4.630 2.536 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -8.730 -7.051 0.978 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -8.052 -5.442 0.826 1.00 0.00 H new ATOM 0 HE ARG A 60 -7.906 -5.997 3.561 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -6.747 -7.543 0.576 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.312 -8.231 1.343 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -6.033 -6.901 4.541 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.911 -7.868 3.577 1.00 0.00 H new ATOM 956 N GLU A 61 -11.186 -7.427 -0.385 1.00 0.00 N ATOM 957 CA GLU A 61 -10.713 -8.092 -1.559 1.00 0.00 C ATOM 958 C GLU A 61 -9.210 -8.345 -1.501 1.00 0.00 C ATOM 959 O GLU A 61 -8.409 -7.457 -1.163 1.00 0.00 O ATOM 960 CB GLU A 61 -11.059 -7.270 -2.783 1.00 0.00 C ATOM 961 CG GLU A 61 -10.689 -7.941 -4.095 1.00 0.00 C ATOM 962 CD GLU A 61 -11.363 -9.285 -4.252 1.00 0.00 C ATOM 963 OE1 GLU A 61 -10.817 -10.316 -3.796 1.00 0.00 O ATOM 964 OE2 GLU A 61 -12.444 -9.338 -4.815 1.00 0.00 O ATOM 0 H GLU A 61 -11.508 -6.475 -0.558 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.204 -9.063 -1.618 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.129 -7.063 -2.780 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.549 -6.309 -2.720 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.972 -7.294 -4.926 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.608 -8.069 -4.145 1.00 0.00 H new ATOM 971 N ASP A 62 -8.832 -9.531 -1.841 1.00 0.00 N ATOM 972 CA ASP A 62 -7.453 -9.900 -1.838 1.00 0.00 C ATOM 973 C ASP A 62 -6.911 -9.806 -3.235 1.00 0.00 C ATOM 974 O ASP A 62 -6.863 -10.792 -3.982 1.00 0.00 O ATOM 975 CB ASP A 62 -7.228 -11.293 -1.257 1.00 0.00 C ATOM 976 CG ASP A 62 -5.762 -11.639 -1.161 1.00 0.00 C ATOM 977 OD1 ASP A 62 -5.001 -10.878 -0.533 1.00 0.00 O ATOM 978 OD2 ASP A 62 -5.346 -12.684 -1.696 1.00 0.00 O ATOM 0 H ASP A 62 -9.469 -10.274 -2.129 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.916 -9.206 -1.191 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.679 -11.349 -0.266 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.734 -12.031 -1.880 1.00 0.00 H new ATOM 983 N SER A 63 -6.642 -8.608 -3.635 1.00 0.00 N ATOM 984 CA SER A 63 -6.063 -8.354 -4.898 1.00 0.00 C ATOM 985 C SER A 63 -5.190 -7.140 -4.715 1.00 0.00 C ATOM 986 O SER A 63 -5.377 -6.419 -3.725 1.00 0.00 O ATOM 987 CB SER A 63 -7.182 -8.063 -5.917 1.00 0.00 C ATOM 988 OG SER A 63 -7.885 -6.871 -5.583 1.00 0.00 O ATOM 0 H SER A 63 -6.823 -7.771 -3.081 1.00 0.00 H new ATOM 0 HA SER A 63 -5.484 -9.201 -5.267 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.753 -7.968 -6.915 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.877 -8.902 -5.947 1.00 0.00 H new ATOM 0 HG SER A 63 -8.588 -6.709 -6.246 1.00 0.00 H new ATOM 994 N PRO A 64 -4.226 -6.874 -5.620 1.00 0.00 N ATOM 995 CA PRO A 64 -3.408 -5.653 -5.569 1.00 0.00 C ATOM 996 C PRO A 64 -4.313 -4.404 -5.498 1.00 0.00 C ATOM 997 O PRO A 64 -3.993 -3.412 -4.854 1.00 0.00 O ATOM 998 CB PRO A 64 -2.636 -5.715 -6.911 1.00 0.00 C ATOM 999 CG PRO A 64 -2.508 -7.164 -7.172 1.00 0.00 C ATOM 1000 CD PRO A 64 -3.810 -7.761 -6.731 1.00 0.00 C ATOM 0 HA PRO A 64 -2.753 -5.591 -4.700 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.179 -5.210 -7.710 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.661 -5.234 -6.835 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.324 -7.359 -8.229 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.672 -7.591 -6.619 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.544 -7.769 -7.537 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.689 -8.792 -6.400 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.473 -4.519 -6.101 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.432 -3.452 -6.146 1.00 0.00 C ATOM 1010 C GLU A 65 -7.136 -3.300 -4.788 1.00 0.00 C ATOM 1011 O GLU A 65 -7.239 -2.185 -4.251 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.436 -3.721 -7.269 1.00 0.00 C ATOM 1013 CG GLU A 65 -6.760 -4.022 -8.605 1.00 0.00 C ATOM 1014 CD GLU A 65 -7.720 -4.260 -9.736 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -8.253 -5.392 -9.852 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -7.923 -3.338 -10.558 1.00 0.00 O ATOM 0 H GLU A 65 -5.776 -5.368 -6.578 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.921 -2.512 -6.353 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.070 -4.562 -6.990 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.088 -2.855 -7.383 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.107 -3.189 -8.866 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.126 -4.901 -8.490 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.566 -4.419 -4.222 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.274 -4.401 -2.957 1.00 0.00 C ATOM 1025 C GLY A 66 -7.383 -4.107 -1.765 1.00 0.00 C ATOM 1026 O GLY A 66 -7.849 -3.566 -0.762 1.00 0.00 O ATOM 0 H GLY A 66 -7.435 -5.348 -4.621 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.064 -3.651 -3.003 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.759 -5.366 -2.808 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.113 -4.453 -1.867 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.141 -4.135 -0.820 1.00 0.00 C ATOM 1032 C ILE A 67 -4.980 -2.616 -0.711 1.00 0.00 C ATOM 1033 O ILE A 67 -4.947 -2.053 0.389 1.00 0.00 O ATOM 1034 CB ILE A 67 -3.774 -4.828 -1.088 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -3.938 -6.349 -0.962 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.689 -4.318 -0.131 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.714 -7.139 -1.345 1.00 0.00 C ATOM 0 H ILE A 67 -5.723 -4.956 -2.664 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.513 -4.518 0.130 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.453 -4.582 -2.100 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.204 -6.590 0.067 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.771 -6.666 -1.589 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.747 -4.823 -0.346 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.563 -3.243 -0.263 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.985 -4.525 0.898 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.916 -8.204 -1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.457 -6.932 -2.384 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.881 -6.854 -0.702 1.00 0.00 H new ATOM 1049 N VAL A 68 -4.926 -1.962 -1.857 1.00 0.00 N ATOM 1050 CA VAL A 68 -4.880 -0.515 -1.914 1.00 0.00 C ATOM 1051 C VAL A 68 -6.140 0.076 -1.332 1.00 0.00 C ATOM 1052 O VAL A 68 -6.088 1.030 -0.555 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.679 -0.004 -3.358 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -4.892 1.508 -3.468 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.299 -0.336 -3.790 1.00 0.00 C ATOM 0 H VAL A 68 -4.913 -2.418 -2.770 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.023 -0.194 -1.322 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.418 -0.488 -3.997 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.740 1.823 -4.501 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.907 1.756 -3.158 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.180 2.024 -2.823 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.141 0.019 -4.809 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.583 0.145 -3.123 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.157 -1.416 -3.756 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.261 -0.529 -1.680 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.556 -0.080 -1.232 1.00 0.00 C ATOM 1067 C LYS A 69 -8.632 -0.076 0.278 1.00 0.00 C ATOM 1068 O LYS A 69 -9.223 0.825 0.866 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.631 -0.978 -1.754 1.00 0.00 C ATOM 1070 CG LYS A 69 -10.969 -0.298 -1.774 1.00 0.00 C ATOM 1071 CD LYS A 69 -11.302 0.220 -3.170 1.00 0.00 C ATOM 1072 CE LYS A 69 -10.342 1.336 -3.625 1.00 0.00 C ATOM 1073 NZ LYS A 69 -10.618 1.815 -4.999 1.00 0.00 N ATOM 0 H LYS A 69 -7.293 -1.350 -2.285 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.699 0.933 -1.609 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.374 -1.303 -2.762 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.688 -1.873 -1.135 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.740 -0.996 -1.449 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.970 0.530 -1.066 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.259 -0.605 -3.881 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.325 0.597 -3.181 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.415 2.175 -2.933 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.317 0.969 -3.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.743 2.188 -5.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.970 1.026 -5.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.335 2.568 -4.967 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.008 -1.076 0.887 1.00 0.00 N ATOM 1088 CA GLU A 70 -7.967 -1.212 2.323 1.00 0.00 C ATOM 1089 C GLU A 70 -7.342 0.038 2.935 1.00 0.00 C ATOM 1090 O GLU A 70 -7.968 0.705 3.749 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.154 -2.440 2.713 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.297 -2.832 4.165 1.00 0.00 C ATOM 1093 CD GLU A 70 -8.614 -3.498 4.455 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -9.658 -2.808 4.536 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -8.632 -4.741 4.606 1.00 0.00 O ATOM 0 H GLU A 70 -7.515 -1.817 0.388 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.983 -1.331 2.698 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.459 -3.279 2.088 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.102 -2.250 2.500 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.485 -3.506 4.438 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.197 -1.944 4.789 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.129 0.361 2.495 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.394 1.545 2.942 1.00 0.00 C ATOM 1104 C ILE A 71 -6.156 2.823 2.652 1.00 0.00 C ATOM 1105 O ILE A 71 -6.270 3.707 3.509 1.00 0.00 O ATOM 1106 CB ILE A 71 -4.006 1.588 2.257 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.125 0.575 2.929 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.365 2.983 2.328 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -1.931 0.186 2.149 1.00 0.00 C ATOM 0 H ILE A 71 -5.621 -0.198 1.809 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.269 1.474 4.022 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.128 1.356 1.199 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.801 0.975 3.890 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.714 -0.318 3.138 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.393 2.963 1.834 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.010 3.706 1.829 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.236 3.271 3.371 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.353 -0.548 2.710 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.243 -0.247 1.198 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.316 1.066 1.963 1.00 0.00 H new ATOM 1121 N LYS A 72 -6.683 2.892 1.458 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.399 4.012 0.952 1.00 0.00 C ATOM 1123 C LYS A 72 -8.621 4.313 1.825 1.00 0.00 C ATOM 1124 O LYS A 72 -8.749 5.422 2.355 1.00 0.00 O ATOM 1125 CB LYS A 72 -7.749 3.659 -0.500 1.00 0.00 C ATOM 1126 CG LYS A 72 -8.385 4.715 -1.362 1.00 0.00 C ATOM 1127 CD LYS A 72 -9.847 4.844 -1.121 1.00 0.00 C ATOM 1128 CE LYS A 72 -10.465 5.546 -2.275 1.00 0.00 C ATOM 1129 NZ LYS A 72 -11.893 5.833 -2.071 1.00 0.00 N ATOM 0 H LYS A 72 -6.616 2.127 0.787 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.814 4.931 0.975 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.832 3.337 -0.993 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.419 2.800 -0.480 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.903 5.674 -1.171 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.213 4.475 -2.411 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.296 3.859 -0.994 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.030 5.399 -0.201 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.933 6.481 -2.453 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.346 4.937 -3.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.455 5.323 -2.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.177 5.525 -1.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.059 6.855 -2.167 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.480 3.323 2.014 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.669 3.510 2.815 1.00 0.00 C ATOM 1145 C GLU A 73 -10.344 3.694 4.298 1.00 0.00 C ATOM 1146 O GLU A 73 -11.025 4.445 4.998 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.657 2.374 2.582 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.306 2.420 1.204 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.118 3.680 1.025 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -14.002 3.954 1.862 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -12.861 4.446 0.078 1.00 0.00 O ATOM 0 H GLU A 73 -9.372 2.387 1.623 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.143 4.437 2.492 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.141 1.421 2.703 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.435 2.414 3.345 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.536 2.368 0.434 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.948 1.549 1.072 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.286 3.047 4.750 1.00 0.00 N ATOM 1159 CA TRP A 74 -8.834 3.130 6.137 1.00 0.00 C ATOM 1160 C TRP A 74 -8.328 4.549 6.445 1.00 0.00 C ATOM 1161 O TRP A 74 -8.816 5.193 7.371 1.00 0.00 O ATOM 1162 CB TRP A 74 -7.743 2.077 6.362 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.139 1.973 7.725 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -7.571 1.224 8.777 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -5.943 2.596 8.141 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -6.688 1.342 9.821 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -5.683 2.188 9.453 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.077 3.463 7.518 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -4.564 2.620 10.151 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -3.972 3.908 8.181 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -3.711 3.488 9.492 1.00 0.00 C ATOM 0 H TRP A 74 -8.708 2.443 4.165 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.661 2.928 6.818 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.161 1.103 6.107 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -6.938 2.274 5.654 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -8.471 0.628 8.788 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -6.770 0.874 10.724 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.271 3.790 6.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -4.368 2.294 11.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.292 4.590 7.692 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -2.827 3.848 9.998 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.403 5.063 5.625 1.00 0.00 N ATOM 1183 CA ARG A 75 -6.843 6.406 5.833 1.00 0.00 C ATOM 1184 C ARG A 75 -7.891 7.481 5.724 1.00 0.00 C ATOM 1185 O ARG A 75 -7.878 8.446 6.492 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.643 6.695 4.911 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.359 6.044 5.397 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.161 6.357 4.535 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.010 7.791 4.247 1.00 0.00 N ATOM 1190 CZ ARG A 75 -1.889 8.513 4.441 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -0.895 8.042 5.179 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -1.794 9.724 3.928 1.00 0.00 N ATOM 0 H ARG A 75 -7.027 4.572 4.814 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.467 6.421 6.856 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.868 6.338 3.906 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.495 7.773 4.841 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.158 6.372 6.417 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.499 4.964 5.431 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.260 5.997 5.032 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.246 5.812 3.595 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.821 8.280 3.869 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.972 7.121 5.610 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.053 8.601 5.316 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.567 10.111 3.387 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.947 10.274 4.072 1.00 0.00 H new ATOM 1206 N ALA A 76 -8.829 7.289 4.825 1.00 0.00 N ATOM 1207 CA ALA A 76 -9.908 8.236 4.647 1.00 0.00 C ATOM 1208 C ALA A 76 -10.824 8.258 5.875 1.00 0.00 C ATOM 1209 O ALA A 76 -11.344 9.299 6.249 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.697 7.906 3.393 1.00 0.00 C ATOM 0 H ALA A 76 -8.867 6.482 4.202 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.477 9.231 4.533 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.506 8.627 3.272 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.038 7.951 2.526 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.115 6.903 3.479 1.00 0.00 H new ATOM 1216 N ALA A 77 -10.952 7.118 6.538 1.00 0.00 N ATOM 1217 CA ALA A 77 -11.841 6.993 7.679 1.00 0.00 C ATOM 1218 C ALA A 77 -11.142 7.494 8.913 1.00 0.00 C ATOM 1219 O ALA A 77 -11.755 8.059 9.819 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.281 5.553 7.862 1.00 0.00 C ATOM 0 H ALA A 77 -10.448 6.263 6.302 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.733 7.594 7.503 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.946 5.482 8.722 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.807 5.217 6.968 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.407 4.924 8.027 1.00 0.00 H new ATOM 1226 N ASN A 78 -9.841 7.292 8.920 1.00 0.00 N ATOM 1227 CA ASN A 78 -8.966 7.706 9.994 1.00 0.00 C ATOM 1228 C ASN A 78 -8.854 9.214 10.093 1.00 0.00 C ATOM 1229 O ASN A 78 -8.464 9.740 11.128 1.00 0.00 O ATOM 1230 CB ASN A 78 -7.558 7.125 9.809 1.00 0.00 C ATOM 1231 CG ASN A 78 -7.347 5.700 10.299 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -6.246 5.359 10.678 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -8.355 4.878 10.293 1.00 0.00 N ATOM 0 H ASN A 78 -9.351 6.823 8.158 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.411 7.326 10.913 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.309 7.162 8.748 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -6.850 7.773 10.326 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -8.232 3.917 10.613 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.269 5.194 9.969 1.00 0.00 H new ATOM 1240 N GLY A 79 -9.183 9.903 9.021 1.00 0.00 N ATOM 1241 CA GLY A 79 -9.030 11.336 9.009 1.00 0.00 C ATOM 1242 C GLY A 79 -7.616 11.699 8.631 1.00 0.00 C ATOM 1243 O GLY A 79 -7.070 12.719 9.069 1.00 0.00 O ATOM 0 H GLY A 79 -9.552 9.499 8.160 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.730 11.779 8.301 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.269 11.744 9.991 1.00 0.00 H new ATOM 1247 N LYS A 80 -7.014 10.838 7.844 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.695 11.018 7.356 1.00 0.00 C ATOM 1249 C LYS A 80 -5.762 11.587 5.955 1.00 0.00 C ATOM 1250 O LYS A 80 -6.811 12.074 5.523 1.00 0.00 O ATOM 1251 CB LYS A 80 -4.991 9.685 7.334 1.00 0.00 C ATOM 1252 CG LYS A 80 -4.622 9.138 8.706 1.00 0.00 C ATOM 1253 CD LYS A 80 -4.033 7.762 8.562 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.319 7.273 9.819 1.00 0.00 C ATOM 1255 NZ LYS A 80 -4.182 7.058 11.004 1.00 0.00 N ATOM 0 H LYS A 80 -7.453 9.974 7.525 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.146 11.705 8.000 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.630 8.960 6.829 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.083 9.779 6.739 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.906 9.801 9.192 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.506 9.101 9.343 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.827 7.060 8.308 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.329 7.762 7.730 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.813 6.336 9.586 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.547 7.996 10.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.644 6.555 11.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.499 7.977 11.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.010 6.491 10.732 1.00 0.00 H new ATOM 1269 N SER A 81 -4.681 11.550 5.267 1.00 0.00 N ATOM 1270 CA SER A 81 -4.628 12.023 3.934 1.00 0.00 C ATOM 1271 C SER A 81 -4.819 10.838 2.981 1.00 0.00 C ATOM 1272 O SER A 81 -4.909 9.672 3.422 1.00 0.00 O ATOM 1273 CB SER A 81 -3.285 12.690 3.730 1.00 0.00 C ATOM 1274 OG SER A 81 -3.201 13.366 2.484 1.00 0.00 O ATOM 0 H SER A 81 -3.796 11.185 5.619 1.00 0.00 H new ATOM 0 HA SER A 81 -5.417 12.748 3.733 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.108 13.400 4.538 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.497 11.939 3.787 1.00 0.00 H new ATOM 0 HG SER A 81 -2.318 13.782 2.397 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.814 11.111 1.712 1.00 0.00 N ATOM 1281 CA GLY A 82 -5.037 10.097 0.741 1.00 0.00 C ATOM 1282 C GLY A 82 -3.971 10.117 -0.297 1.00 0.00 C ATOM 1283 O GLY A 82 -2.804 10.374 0.013 1.00 0.00 O ATOM 0 H GLY A 82 -4.655 12.042 1.326 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.060 9.121 1.226 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.010 10.243 0.272 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.356 9.877 -1.505 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.463 9.844 -2.606 1.00 0.00 C ATOM 1289 C PHE A 83 -3.662 11.099 -3.421 1.00 0.00 C ATOM 1290 O PHE A 83 -4.515 11.940 -3.088 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.800 8.633 -3.470 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.808 7.342 -2.717 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.630 6.720 -2.382 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -5.000 6.761 -2.328 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.640 5.544 -1.675 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -5.012 5.586 -1.619 1.00 0.00 C ATOM 1297 CZ PHE A 83 -3.829 4.974 -1.293 1.00 0.00 C ATOM 0 H PHE A 83 -5.327 9.694 -1.757 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.431 9.780 -2.260 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.779 8.784 -3.926 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.077 8.565 -4.283 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.689 7.160 -2.677 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.934 7.238 -2.585 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.707 5.064 -1.418 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -5.951 5.144 -1.319 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.833 4.047 -0.738 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.894 11.242 -4.460 1.00 0.00 N ATOM 1308 CA LYS A 84 -3.085 12.314 -5.377 1.00 0.00 C ATOM 1309 C LYS A 84 -4.268 11.954 -6.223 1.00 0.00 C ATOM 1310 O LYS A 84 -4.348 10.865 -6.795 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.837 12.525 -6.223 1.00 0.00 C ATOM 1312 CG LYS A 84 -1.906 13.707 -7.180 1.00 0.00 C ATOM 1313 CD LYS A 84 -0.613 13.861 -7.969 1.00 0.00 C ATOM 1314 CE LYS A 84 0.586 14.156 -7.067 1.00 0.00 C ATOM 1315 NZ LYS A 84 1.846 14.288 -7.835 1.00 0.00 N ATOM 0 H LYS A 84 -2.121 10.618 -4.691 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.266 13.253 -4.854 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.984 12.663 -5.559 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.649 11.619 -6.800 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.740 13.571 -7.869 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.102 14.620 -6.618 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.424 12.948 -8.534 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.726 14.667 -8.694 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.403 15.076 -6.512 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.692 13.357 -6.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.657 14.199 -7.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.893 13.540 -8.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.874 15.218 -8.299 1.00 0.00 H new ATOM 1329 N GLN A 85 -5.185 12.847 -6.279 1.00 0.00 N ATOM 1330 CA GLN A 85 -6.468 12.647 -6.954 1.00 0.00 C ATOM 1331 C GLN A 85 -6.360 12.732 -8.466 1.00 0.00 C ATOM 1332 O GLN A 85 -7.338 12.532 -9.181 1.00 0.00 O ATOM 1333 CB GLN A 85 -7.553 13.614 -6.418 1.00 0.00 C ATOM 1334 CG GLN A 85 -7.268 15.110 -6.663 1.00 0.00 C ATOM 1335 CD GLN A 85 -6.044 15.626 -5.920 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -5.721 15.163 -4.831 1.00 0.00 O ATOM 1337 NE2 GLN A 85 -5.320 16.493 -6.529 1.00 0.00 N ATOM 0 H GLN A 85 -5.088 13.769 -5.855 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.776 11.628 -6.719 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.506 13.360 -6.882 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.666 13.451 -5.346 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.130 15.275 -7.732 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.139 15.692 -6.360 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -5.616 16.859 -7.434 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -4.449 16.816 -6.108 1.00 0.00 H new ATOM 1346 N GLY A 86 -5.191 12.943 -8.917 1.00 0.00 N ATOM 1347 CA GLY A 86 -4.948 13.124 -10.314 1.00 0.00 C ATOM 1348 C GLY A 86 -4.763 14.579 -10.616 1.00 0.00 C ATOM 1349 O GLY A 86 -5.769 15.271 -10.861 1.00 0.00 O ATOM 1350 OXT GLY A 86 -3.618 15.063 -10.573 1.00 0.00 O ATOM 0 H GLY A 86 -4.356 12.998 -8.333 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.060 12.566 -10.613 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.783 12.727 -10.891 1.00 0.00 H new