USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 602 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 67 LYS NZ :NH3+ -171:sc= 1.28 (180deg=0.00188) USER MOD Set 1.2: A 68 TYR OH : rot 180:sc= 0.975 USER MOD Single : A 6 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.08) USER MOD Single : A 14 LYS NZ :NH3+ 151:sc= 0.432! (180deg=-2.44!) USER MOD Single : A 15 MET CE :methyl -132:sc=-0.00988 (180deg=-0.688) USER MOD Single : A 16 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.077) USER MOD Single : A 18 TYR OH : rot 172:sc= 1.2 USER MOD Single : A 20 HIS : no HE2:sc= -1.74! X(o=-1.7!,f=-1.4) USER MOD Single : A 39 LYS NZ :NH3+ 142:sc= -0.159 (180deg=-0.82) USER MOD Single : A 47 THR OG1 : rot 165:sc= 1.27 USER MOD Single : A 48 HIS : no HD1:sc= 0.717 K(o=0.72,f=-5!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 147:sc= 1.1 (180deg=-0.288!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0236 USER MOD Single : A 64 ASN : amide:sc= -3.53! C(o=-3.5!,f=-2.1!) USER MOD Single : A 65 LYS NZ :NH3+ -148:sc= 0.672! (180deg=-0.585!) USER MOD Single : A 70 LYS NZ :NH3+ -140:sc= 1.14 (180deg=-0.504) USER MOD Single : A 72 ASN : amide:sc= -1.18 K(o=-1.2,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -142:sc= 0.0155 (180deg=-0.115) USER MOD Single : A 75 LYS NZ :NH3+ 173:sc= 0.442 (180deg=0.323) USER MOD Single : A 78 ASN : amide:sc= -1.51! K(o=-1.5!,f=-0.58) USER MOD Single : A 86 ASN : amide:sc= -3.11! K(o=-3.1!,f=-0.85) USER MOD Single : A 87 ASN : amide:sc= -0.0164 K(o=-0.016,f=-1.1) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 5 4.142 9.980 6.106 1.00 0.00 N ATOM 67 CA PHE A 5 3.695 8.633 6.004 1.00 0.00 C ATOM 68 C PHE A 5 4.755 7.747 6.584 1.00 0.00 C ATOM 69 O PHE A 5 5.911 7.772 6.153 1.00 0.00 O ATOM 70 CB PHE A 5 3.361 8.289 4.555 1.00 0.00 C ATOM 71 CG PHE A 5 2.109 8.969 4.040 1.00 0.00 C ATOM 72 CD1 PHE A 5 2.133 10.290 3.609 1.00 0.00 C ATOM 73 CD2 PHE A 5 0.918 8.275 3.973 1.00 0.00 C ATOM 74 CE1 PHE A 5 0.984 10.896 3.126 1.00 0.00 C ATOM 75 CE2 PHE A 5 -0.233 8.874 3.494 1.00 0.00 C ATOM 76 CZ PHE A 5 -0.202 10.184 3.070 1.00 0.00 C ATOM 0 HA PHE A 5 2.774 8.484 6.567 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.203 8.569 3.921 1.00 0.00 H new ATOM 0 HB3 PHE A 5 3.240 7.209 4.466 1.00 0.00 H new ATOM 0 HD1 PHE A 5 3.056 10.850 3.651 1.00 0.00 H new ATOM 0 HD2 PHE A 5 0.884 7.246 4.300 1.00 0.00 H new ATOM 0 HE1 PHE A 5 1.014 11.923 2.793 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -1.156 8.315 3.452 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.099 10.654 2.695 1.00 0.00 H new ATOM 86 N LYS A 6 4.370 6.995 7.564 1.00 0.00 N ATOM 87 CA LYS A 6 5.290 6.243 8.360 1.00 0.00 C ATOM 88 C LYS A 6 5.377 4.819 7.843 1.00 0.00 C ATOM 89 O LYS A 6 4.394 4.291 7.345 1.00 0.00 O ATOM 90 CB LYS A 6 4.782 6.262 9.811 1.00 0.00 C ATOM 91 CG LYS A 6 4.371 7.663 10.260 1.00 0.00 C ATOM 92 CD LYS A 6 3.824 7.703 11.674 1.00 0.00 C ATOM 93 CE LYS A 6 3.210 9.074 11.976 1.00 0.00 C ATOM 94 NZ LYS A 6 4.178 10.185 11.808 1.00 0.00 N ATOM 0 H LYS A 6 3.394 6.883 7.839 1.00 0.00 H new ATOM 0 HA LYS A 6 6.288 6.679 8.309 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.931 5.588 9.905 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.562 5.885 10.472 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.233 8.326 10.192 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.617 8.050 9.575 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.071 6.925 11.800 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.623 7.492 12.385 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.357 9.238 11.318 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.830 9.080 12.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.767 11.063 12.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.053 9.964 12.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.393 10.308 10.798 1.00 0.00 H new ATOM 108 N PRO A 7 6.559 4.196 7.891 1.00 0.00 N ATOM 109 CA PRO A 7 6.704 2.792 7.511 1.00 0.00 C ATOM 110 C PRO A 7 5.788 1.920 8.371 1.00 0.00 C ATOM 111 O PRO A 7 5.952 1.844 9.588 1.00 0.00 O ATOM 112 CB PRO A 7 8.172 2.486 7.835 1.00 0.00 C ATOM 113 CG PRO A 7 8.853 3.807 7.810 1.00 0.00 C ATOM 114 CD PRO A 7 7.837 4.806 8.278 1.00 0.00 C ATOM 0 HA PRO A 7 6.443 2.600 6.470 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.270 2.009 8.810 1.00 0.00 H new ATOM 0 HB3 PRO A 7 8.605 1.805 7.102 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.728 3.807 8.460 1.00 0.00 H new ATOM 0 HG3 PRO A 7 9.202 4.047 6.806 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.897 4.966 9.355 1.00 0.00 H new ATOM 0 HD3 PRO A 7 7.979 5.777 7.803 1.00 0.00 H new ATOM 122 N GLY A 8 4.836 1.283 7.741 1.00 0.00 N ATOM 123 CA GLY A 8 3.881 0.493 8.460 1.00 0.00 C ATOM 124 C GLY A 8 2.499 1.121 8.464 1.00 0.00 C ATOM 125 O GLY A 8 1.540 0.490 8.897 1.00 0.00 O ATOM 0 H GLY A 8 4.704 1.298 6.730 1.00 0.00 H new ATOM 0 HA2 GLY A 8 3.825 -0.500 8.014 1.00 0.00 H new ATOM 0 HA3 GLY A 8 4.221 0.362 9.487 1.00 0.00 H new ATOM 129 N ASP A 9 2.401 2.350 7.954 1.00 0.00 N ATOM 130 CA ASP A 9 1.134 3.109 7.930 1.00 0.00 C ATOM 131 C ASP A 9 0.175 2.461 6.938 1.00 0.00 C ATOM 132 O ASP A 9 0.609 1.845 5.939 1.00 0.00 O ATOM 133 CB ASP A 9 1.397 4.543 7.481 1.00 0.00 C ATOM 134 CG ASP A 9 0.381 5.559 7.947 1.00 0.00 C ATOM 135 OD1 ASP A 9 -0.793 5.489 7.542 1.00 0.00 O ATOM 136 OD2 ASP A 9 0.773 6.514 8.660 1.00 0.00 O ATOM 0 H ASP A 9 3.190 2.852 7.546 1.00 0.00 H new ATOM 0 HA ASP A 9 0.702 3.108 8.931 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.381 4.845 7.841 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.436 4.565 6.392 1.00 0.00 H new ATOM 141 N LEU A 10 -1.091 2.624 7.176 1.00 0.00 N ATOM 142 CA LEU A 10 -2.118 2.006 6.384 1.00 0.00 C ATOM 143 C LEU A 10 -2.747 3.019 5.492 1.00 0.00 C ATOM 144 O LEU A 10 -3.325 4.022 5.955 1.00 0.00 O ATOM 145 CB LEU A 10 -3.156 1.412 7.293 1.00 0.00 C ATOM 146 CG LEU A 10 -2.653 0.349 8.262 1.00 0.00 C ATOM 147 CD1 LEU A 10 -3.794 -0.206 9.088 1.00 0.00 C ATOM 148 CD2 LEU A 10 -1.936 -0.755 7.509 1.00 0.00 C ATOM 0 H LEU A 10 -1.448 3.200 7.938 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.679 1.219 5.771 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.612 2.217 7.870 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.943 0.975 6.679 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.941 0.811 8.946 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.413 -0.963 9.773 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.256 0.600 9.659 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.536 -0.655 8.428 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.583 -1.507 8.215 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.623 -1.217 6.800 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.086 -0.336 6.970 1.00 0.00 H new ATOM 160 N ILE A 11 -2.677 2.776 4.228 1.00 0.00 N ATOM 161 CA ILE A 11 -3.140 3.718 3.278 1.00 0.00 C ATOM 162 C ILE A 11 -3.862 3.048 2.113 1.00 0.00 C ATOM 163 O ILE A 11 -4.072 1.833 2.080 1.00 0.00 O ATOM 164 CB ILE A 11 -1.953 4.503 2.676 1.00 0.00 C ATOM 165 CG1 ILE A 11 -0.922 3.514 2.157 1.00 0.00 C ATOM 166 CG2 ILE A 11 -1.326 5.452 3.696 1.00 0.00 C ATOM 167 CD1 ILE A 11 -0.093 4.041 1.049 1.00 0.00 C ATOM 0 H ILE A 11 -2.297 1.918 3.828 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.827 4.376 3.810 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.320 5.119 1.855 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.269 3.219 2.979 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.434 2.613 1.818 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.495 5.985 3.234 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.074 6.169 4.034 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.961 4.880 4.549 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.619 3.278 0.733 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.735 4.309 0.210 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.448 4.924 1.388 1.00 0.00 H new ATOM 179 N PHE A 12 -4.216 3.869 1.184 1.00 0.00 N ATOM 180 CA PHE A 12 -4.733 3.494 -0.072 1.00 0.00 C ATOM 181 C PHE A 12 -3.850 4.144 -1.080 1.00 0.00 C ATOM 182 O PHE A 12 -3.552 5.344 -0.975 1.00 0.00 O ATOM 183 CB PHE A 12 -6.172 3.944 -0.267 1.00 0.00 C ATOM 184 CG PHE A 12 -7.194 3.120 0.474 1.00 0.00 C ATOM 185 CD1 PHE A 12 -7.606 1.899 -0.032 1.00 0.00 C ATOM 186 CD2 PHE A 12 -7.750 3.564 1.653 1.00 0.00 C ATOM 187 CE1 PHE A 12 -8.548 1.141 0.628 1.00 0.00 C ATOM 188 CE2 PHE A 12 -8.694 2.811 2.319 1.00 0.00 C ATOM 189 CZ PHE A 12 -9.093 1.596 1.806 1.00 0.00 C ATOM 0 H PHE A 12 -4.145 4.880 1.296 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.747 2.408 -0.166 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.261 4.982 0.053 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -6.406 3.918 -1.331 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.183 1.536 -0.957 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.442 4.515 2.062 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.858 0.190 0.221 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.121 3.174 3.243 1.00 0.00 H new ATOM 0 HZ PHE A 12 -9.831 1.003 2.327 1.00 0.00 H new ATOM 199 N ALA A 13 -3.386 3.378 -1.992 1.00 0.00 N ATOM 200 CA ALA A 13 -2.478 3.845 -2.974 1.00 0.00 C ATOM 201 C ALA A 13 -3.096 3.733 -4.328 1.00 0.00 C ATOM 202 O ALA A 13 -3.803 2.780 -4.615 1.00 0.00 O ATOM 203 CB ALA A 13 -1.217 3.047 -2.903 1.00 0.00 C ATOM 0 H ALA A 13 -3.629 2.391 -2.081 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.243 4.893 -2.788 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.517 3.405 -3.658 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.772 3.157 -1.914 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.441 1.996 -3.085 1.00 0.00 H new ATOM 209 N LYS A 14 -2.848 4.699 -5.144 1.00 0.00 N ATOM 210 CA LYS A 14 -3.403 4.757 -6.433 1.00 0.00 C ATOM 211 C LYS A 14 -2.291 4.849 -7.466 1.00 0.00 C ATOM 212 O LYS A 14 -1.485 5.792 -7.436 1.00 0.00 O ATOM 213 CB LYS A 14 -4.324 5.993 -6.465 1.00 0.00 C ATOM 214 CG LYS A 14 -5.088 6.229 -7.752 1.00 0.00 C ATOM 215 CD LYS A 14 -4.198 6.668 -8.908 1.00 0.00 C ATOM 216 CE LYS A 14 -3.752 8.133 -8.856 1.00 0.00 C ATOM 217 NZ LYS A 14 -2.815 8.397 -7.732 1.00 0.00 N ATOM 0 H LYS A 14 -2.238 5.485 -4.919 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.979 3.863 -6.670 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.044 5.904 -5.651 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.719 6.876 -6.260 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.609 5.313 -8.031 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.850 6.989 -7.580 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.312 6.034 -8.927 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.731 6.498 -9.843 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.271 8.398 -9.797 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.628 8.774 -8.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.180 9.180 -7.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.356 8.653 -6.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.253 7.543 -7.541 1.00 0.00 H new ATOM 231 N MET A 15 -2.294 3.927 -8.405 1.00 0.00 N ATOM 232 CA MET A 15 -1.349 3.941 -9.515 1.00 0.00 C ATOM 233 C MET A 15 -2.105 4.130 -10.795 1.00 0.00 C ATOM 234 O MET A 15 -3.298 3.888 -10.837 1.00 0.00 O ATOM 235 CB MET A 15 -0.510 2.668 -9.618 1.00 0.00 C ATOM 236 CG MET A 15 0.297 2.378 -8.395 1.00 0.00 C ATOM 237 SD MET A 15 1.716 1.326 -8.716 1.00 0.00 S ATOM 238 CE MET A 15 0.932 -0.169 -9.282 1.00 0.00 C ATOM 0 H MET A 15 -2.949 3.145 -8.426 1.00 0.00 H new ATOM 0 HA MET A 15 -0.657 4.763 -9.331 1.00 0.00 H new ATOM 0 HB2 MET A 15 -1.170 1.824 -9.815 1.00 0.00 H new ATOM 0 HB3 MET A 15 0.161 2.754 -10.473 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.640 3.318 -7.963 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.341 1.900 -7.652 1.00 0.00 H new ATOM 0 HE1 MET A 15 1.360 -1.025 -8.760 1.00 0.00 H new ATOM 0 HE2 MET A 15 -0.138 -0.118 -9.079 1.00 0.00 H new ATOM 0 HE3 MET A 15 1.093 -0.281 -10.354 1.00 0.00 H new ATOM 248 N LYS A 16 -1.439 4.599 -11.822 1.00 0.00 N ATOM 249 CA LYS A 16 -2.085 4.778 -13.109 1.00 0.00 C ATOM 250 C LYS A 16 -2.483 3.402 -13.658 1.00 0.00 C ATOM 251 O LYS A 16 -1.632 2.560 -13.893 1.00 0.00 O ATOM 252 CB LYS A 16 -1.130 5.496 -14.081 1.00 0.00 C ATOM 253 CG LYS A 16 -1.718 5.790 -15.462 1.00 0.00 C ATOM 254 CD LYS A 16 -0.691 6.477 -16.357 1.00 0.00 C ATOM 255 CE LYS A 16 -1.247 6.775 -17.748 1.00 0.00 C ATOM 256 NZ LYS A 16 -2.397 7.723 -17.711 1.00 0.00 N ATOM 0 H LYS A 16 -0.454 4.864 -11.797 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.978 5.392 -12.996 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.814 6.436 -13.629 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.235 4.886 -14.205 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.047 4.861 -15.927 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.599 6.424 -15.359 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.368 7.407 -15.889 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.191 5.843 -16.448 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.456 7.193 -18.370 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.563 5.843 -18.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.651 7.998 -18.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.212 7.263 -17.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.131 8.570 -17.169 1.00 0.00 H new ATOM 270 N GLY A 17 -3.774 3.187 -13.824 1.00 0.00 N ATOM 271 CA GLY A 17 -4.263 1.905 -14.298 1.00 0.00 C ATOM 272 C GLY A 17 -4.800 1.075 -13.147 1.00 0.00 C ATOM 273 O GLY A 17 -5.473 0.044 -13.344 1.00 0.00 O ATOM 0 H GLY A 17 -4.500 3.879 -13.639 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.048 2.061 -15.037 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.458 1.365 -14.797 1.00 0.00 H new ATOM 277 N TYR A 18 -4.508 1.518 -11.953 1.00 0.00 N ATOM 278 CA TYR A 18 -4.956 0.881 -10.747 1.00 0.00 C ATOM 279 C TYR A 18 -5.981 1.755 -10.053 1.00 0.00 C ATOM 280 O TYR A 18 -5.947 2.978 -10.179 1.00 0.00 O ATOM 281 CB TYR A 18 -3.781 0.642 -9.776 1.00 0.00 C ATOM 282 CG TYR A 18 -2.833 -0.480 -10.145 1.00 0.00 C ATOM 283 CD1 TYR A 18 -2.137 -0.477 -11.342 1.00 0.00 C ATOM 284 CD2 TYR A 18 -2.637 -1.548 -9.277 1.00 0.00 C ATOM 285 CE1 TYR A 18 -1.275 -1.500 -11.668 1.00 0.00 C ATOM 286 CE2 TYR A 18 -1.769 -2.577 -9.590 1.00 0.00 C ATOM 287 CZ TYR A 18 -1.088 -2.547 -10.790 1.00 0.00 C ATOM 288 OH TYR A 18 -0.215 -3.549 -11.117 1.00 0.00 O ATOM 0 H TYR A 18 -3.940 2.349 -11.790 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.396 -0.078 -11.021 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.207 1.565 -9.698 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.189 0.436 -8.787 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.273 0.342 -12.032 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.173 -1.574 -8.340 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -0.746 -1.483 -12.610 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -1.625 -3.397 -8.902 1.00 0.00 H new ATOM 0 HH TYR A 18 -0.098 -4.145 -10.348 1.00 0.00 H new ATOM 298 N PRO A 19 -6.920 1.149 -9.341 1.00 0.00 N ATOM 299 CA PRO A 19 -7.831 1.879 -8.494 1.00 0.00 C ATOM 300 C PRO A 19 -7.123 2.175 -7.179 1.00 0.00 C ATOM 301 O PRO A 19 -5.991 1.708 -6.972 1.00 0.00 O ATOM 302 CB PRO A 19 -8.999 0.901 -8.255 1.00 0.00 C ATOM 303 CG PRO A 19 -8.623 -0.381 -8.934 1.00 0.00 C ATOM 304 CD PRO A 19 -7.165 -0.290 -9.277 1.00 0.00 C ATOM 0 HA PRO A 19 -8.169 2.822 -8.924 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -9.161 0.743 -7.189 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -9.928 1.299 -8.663 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.812 -1.232 -8.280 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.221 -0.530 -9.833 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.544 -0.770 -8.521 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -6.945 -0.778 -10.227 1.00 0.00 H new ATOM 312 N HIS A 20 -7.723 2.984 -6.331 1.00 0.00 N ATOM 313 CA HIS A 20 -7.149 3.212 -5.019 1.00 0.00 C ATOM 314 C HIS A 20 -7.187 1.876 -4.270 1.00 0.00 C ATOM 315 O HIS A 20 -8.254 1.373 -3.945 1.00 0.00 O ATOM 316 CB HIS A 20 -7.935 4.279 -4.251 1.00 0.00 C ATOM 317 CG HIS A 20 -7.843 5.661 -4.833 1.00 0.00 C ATOM 318 ND1 HIS A 20 -8.629 6.126 -5.875 1.00 0.00 N ATOM 319 CD2 HIS A 20 -7.040 6.689 -4.491 1.00 0.00 C ATOM 320 CE1 HIS A 20 -8.275 7.394 -6.124 1.00 0.00 C ATOM 321 NE2 HIS A 20 -7.317 7.785 -5.311 1.00 0.00 N ATOM 0 H HIS A 20 -8.591 3.486 -6.519 1.00 0.00 H new ATOM 0 HA HIS A 20 -6.126 3.576 -5.113 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.983 3.983 -4.214 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -7.575 4.307 -3.222 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -9.350 5.597 -6.366 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -6.299 6.668 -3.706 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -8.717 8.013 -6.890 1.00 0.00 H new ATOM 329 N TRP A 21 -6.042 1.322 -4.045 1.00 0.00 N ATOM 330 CA TRP A 21 -5.891 -0.019 -3.546 1.00 0.00 C ATOM 331 C TRP A 21 -5.352 0.036 -2.125 1.00 0.00 C ATOM 332 O TRP A 21 -4.509 0.888 -1.827 1.00 0.00 O ATOM 333 CB TRP A 21 -4.868 -0.694 -4.458 1.00 0.00 C ATOM 334 CG TRP A 21 -4.802 -2.182 -4.408 1.00 0.00 C ATOM 335 CD1 TRP A 21 -4.275 -2.969 -3.428 1.00 0.00 C ATOM 336 CD2 TRP A 21 -5.237 -3.061 -5.434 1.00 0.00 C ATOM 337 NE1 TRP A 21 -4.390 -4.284 -3.782 1.00 0.00 N ATOM 338 CE2 TRP A 21 -4.968 -4.363 -5.013 1.00 0.00 C ATOM 339 CE3 TRP A 21 -5.838 -2.863 -6.671 1.00 0.00 C ATOM 340 CZ2 TRP A 21 -5.276 -5.463 -5.785 1.00 0.00 C ATOM 341 CZ3 TRP A 21 -6.145 -3.958 -7.444 1.00 0.00 C ATOM 342 CH2 TRP A 21 -5.861 -5.248 -6.997 1.00 0.00 C ATOM 0 H TRP A 21 -5.154 1.798 -4.206 1.00 0.00 H new ATOM 0 HA TRP A 21 -6.837 -0.561 -3.536 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -5.081 -0.398 -5.485 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -3.882 -0.302 -4.211 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -3.833 -2.608 -2.511 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -4.091 -5.078 -3.216 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -6.060 -1.865 -7.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -5.060 -6.464 -5.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -6.611 -3.817 -8.408 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -6.109 -6.092 -7.623 1.00 0.00 H new ATOM 353 N PRO A 22 -5.830 -0.839 -1.222 1.00 0.00 N ATOM 354 CA PRO A 22 -5.333 -0.889 0.150 1.00 0.00 C ATOM 355 C PRO A 22 -3.864 -1.305 0.168 1.00 0.00 C ATOM 356 O PRO A 22 -3.500 -2.410 -0.275 1.00 0.00 O ATOM 357 CB PRO A 22 -6.213 -1.957 0.825 1.00 0.00 C ATOM 358 CG PRO A 22 -6.780 -2.765 -0.297 1.00 0.00 C ATOM 359 CD PRO A 22 -6.876 -1.843 -1.477 1.00 0.00 C ATOM 0 HA PRO A 22 -5.385 0.075 0.656 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.627 -2.579 1.502 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.004 -1.498 1.418 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.141 -3.619 -0.522 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -7.760 -3.162 -0.033 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -6.703 -2.372 -2.414 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.862 -1.384 -1.548 1.00 0.00 H new ATOM 367 N ALA A 23 -3.030 -0.439 0.659 1.00 0.00 N ATOM 368 CA ALA A 23 -1.640 -0.666 0.646 1.00 0.00 C ATOM 369 C ALA A 23 -1.022 -0.202 1.940 1.00 0.00 C ATOM 370 O ALA A 23 -1.659 0.488 2.739 1.00 0.00 O ATOM 371 CB ALA A 23 -1.036 0.065 -0.526 1.00 0.00 C ATOM 0 H ALA A 23 -3.309 0.447 1.080 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.443 -1.733 0.545 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.041 -0.104 -0.545 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.478 -0.304 -1.452 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.234 1.133 -0.430 1.00 0.00 H new ATOM 377 N ARG A 24 0.181 -0.595 2.160 1.00 0.00 N ATOM 378 CA ARG A 24 0.900 -0.197 3.328 1.00 0.00 C ATOM 379 C ARG A 24 2.069 0.640 2.893 1.00 0.00 C ATOM 380 O ARG A 24 2.625 0.408 1.813 1.00 0.00 O ATOM 381 CB ARG A 24 1.444 -1.425 4.064 1.00 0.00 C ATOM 382 CG ARG A 24 2.049 -1.112 5.424 1.00 0.00 C ATOM 383 CD ARG A 24 2.817 -2.288 6.007 1.00 0.00 C ATOM 384 NE ARG A 24 4.054 -2.577 5.262 1.00 0.00 N ATOM 385 CZ ARG A 24 5.274 -2.726 5.817 1.00 0.00 C ATOM 386 NH1 ARG A 24 5.447 -2.621 7.135 1.00 0.00 N ATOM 387 NH2 ARG A 24 6.309 -2.974 5.062 1.00 0.00 N ATOM 0 H ARG A 24 0.703 -1.207 1.533 1.00 0.00 H new ATOM 0 HA ARG A 24 0.234 0.356 3.991 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.636 -2.146 4.194 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.201 -1.903 3.442 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.718 -0.256 5.332 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.255 -0.824 6.113 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.064 -2.077 7.047 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.179 -3.172 6.004 1.00 0.00 H new ATOM 0 HE ARG A 24 3.983 -2.672 4.249 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.650 -2.425 7.740 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.377 -2.737 7.538 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.195 -3.055 4.052 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.232 -3.087 5.482 1.00 0.00 H new ATOM 401 N VAL A 25 2.420 1.620 3.679 1.00 0.00 N ATOM 402 CA VAL A 25 3.650 2.328 3.443 1.00 0.00 C ATOM 403 C VAL A 25 4.736 1.378 3.905 1.00 0.00 C ATOM 404 O VAL A 25 4.730 0.950 5.063 1.00 0.00 O ATOM 405 CB VAL A 25 3.722 3.651 4.241 1.00 0.00 C ATOM 406 CG1 VAL A 25 5.013 4.405 3.927 1.00 0.00 C ATOM 407 CG2 VAL A 25 2.515 4.518 3.937 1.00 0.00 C ATOM 0 H VAL A 25 1.879 1.945 4.481 1.00 0.00 H new ATOM 0 HA VAL A 25 3.748 2.609 2.394 1.00 0.00 H new ATOM 0 HB VAL A 25 3.719 3.409 5.304 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.041 5.332 4.500 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.870 3.787 4.195 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.050 4.635 2.862 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.580 5.445 4.506 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.491 4.747 2.872 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.605 3.985 4.214 1.00 0.00 H new ATOM 417 N ASP A 26 5.605 1.007 3.021 1.00 0.00 N ATOM 418 CA ASP A 26 6.580 -0.023 3.313 1.00 0.00 C ATOM 419 C ASP A 26 7.789 0.598 4.015 1.00 0.00 C ATOM 420 O ASP A 26 7.818 1.824 4.224 1.00 0.00 O ATOM 421 CB ASP A 26 6.972 -0.747 2.023 1.00 0.00 C ATOM 422 CG ASP A 26 7.488 -2.130 2.287 1.00 0.00 C ATOM 423 OD1 ASP A 26 6.673 -3.050 2.475 1.00 0.00 O ATOM 424 OD2 ASP A 26 8.686 -2.325 2.382 1.00 0.00 O ATOM 0 H ASP A 26 5.669 1.398 2.081 1.00 0.00 H new ATOM 0 HA ASP A 26 6.151 -0.764 3.987 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.107 -0.803 1.362 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.735 -0.169 1.501 1.00 0.00 H new ATOM 429 N GLU A 27 8.779 -0.187 4.381 1.00 0.00 N ATOM 430 CA GLU A 27 9.867 0.362 5.127 1.00 0.00 C ATOM 431 C GLU A 27 11.110 0.509 4.278 1.00 0.00 C ATOM 432 O GLU A 27 11.311 -0.229 3.314 1.00 0.00 O ATOM 433 CB GLU A 27 10.155 -0.393 6.456 1.00 0.00 C ATOM 434 CG GLU A 27 10.773 -1.803 6.367 1.00 0.00 C ATOM 435 CD GLU A 27 9.884 -2.886 5.792 1.00 0.00 C ATOM 436 OE1 GLU A 27 8.676 -2.934 6.116 1.00 0.00 O ATOM 437 OE2 GLU A 27 10.404 -3.754 5.046 1.00 0.00 O ATOM 0 H GLU A 27 8.845 -1.184 4.176 1.00 0.00 H new ATOM 0 HA GLU A 27 9.549 1.362 5.423 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.822 0.227 7.055 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.217 -0.473 7.005 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.677 -1.744 5.761 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.080 -2.107 7.368 1.00 0.00 H new ATOM 597 N LYS A 39 9.284 9.898 -3.720 1.00 0.00 N ATOM 598 CA LYS A 39 8.251 8.925 -3.561 1.00 0.00 C ATOM 599 C LYS A 39 8.507 8.059 -2.376 1.00 0.00 C ATOM 600 O LYS A 39 9.625 8.016 -1.846 1.00 0.00 O ATOM 601 CB LYS A 39 8.126 8.086 -4.811 1.00 0.00 C ATOM 602 CG LYS A 39 7.671 8.900 -5.971 1.00 0.00 C ATOM 603 CD LYS A 39 7.631 8.123 -7.240 1.00 0.00 C ATOM 604 CE LYS A 39 7.149 9.022 -8.331 1.00 0.00 C ATOM 605 NZ LYS A 39 8.044 10.209 -8.494 1.00 0.00 N ATOM 0 HA LYS A 39 7.311 9.452 -3.395 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.088 7.629 -5.041 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.421 7.274 -4.636 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.678 9.298 -5.763 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.337 9.754 -6.094 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.622 7.736 -7.478 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.969 7.263 -7.137 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.103 8.467 -9.268 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.136 9.356 -8.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.136 10.438 -9.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.637 11.023 -7.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.982 9.993 -8.101 1.00 0.00 H new ATOM 619 N LEU A 40 7.489 7.373 -1.991 1.00 0.00 N ATOM 620 CA LEU A 40 7.509 6.506 -0.845 1.00 0.00 C ATOM 621 C LEU A 40 7.268 5.076 -1.295 1.00 0.00 C ATOM 622 O LEU A 40 6.559 4.854 -2.292 1.00 0.00 O ATOM 623 CB LEU A 40 6.412 6.937 0.136 1.00 0.00 C ATOM 624 CG LEU A 40 6.532 8.357 0.704 1.00 0.00 C ATOM 625 CD1 LEU A 40 5.306 8.695 1.518 1.00 0.00 C ATOM 626 CD2 LEU A 40 7.782 8.490 1.563 1.00 0.00 C ATOM 0 H LEU A 40 6.590 7.394 -2.472 1.00 0.00 H new ATOM 0 HA LEU A 40 8.478 6.569 -0.350 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.449 6.849 -0.367 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.402 6.234 0.969 1.00 0.00 H new ATOM 0 HG LEU A 40 6.611 9.055 -0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.401 9.705 1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.421 8.637 0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.210 7.987 2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.847 9.505 1.956 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.731 7.783 2.391 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.663 8.278 0.958 1.00 0.00 H new ATOM 638 N PRO A 41 7.872 4.089 -0.610 1.00 0.00 N ATOM 639 CA PRO A 41 7.666 2.680 -0.927 1.00 0.00 C ATOM 640 C PRO A 41 6.272 2.227 -0.480 1.00 0.00 C ATOM 641 O PRO A 41 5.888 2.389 0.679 1.00 0.00 O ATOM 642 CB PRO A 41 8.770 1.974 -0.126 1.00 0.00 C ATOM 643 CG PRO A 41 9.021 2.868 1.041 1.00 0.00 C ATOM 644 CD PRO A 41 8.797 4.269 0.540 1.00 0.00 C ATOM 0 HA PRO A 41 7.717 2.462 -1.994 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.453 0.982 0.196 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.671 1.842 -0.725 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.346 2.635 1.865 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.037 2.745 1.417 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.359 4.904 1.310 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.731 4.738 0.232 1.00 0.00 H new ATOM 652 N ILE A 42 5.512 1.706 -1.394 1.00 0.00 N ATOM 653 CA ILE A 42 4.157 1.304 -1.120 1.00 0.00 C ATOM 654 C ILE A 42 4.002 -0.177 -1.410 1.00 0.00 C ATOM 655 O ILE A 42 4.334 -0.629 -2.490 1.00 0.00 O ATOM 656 CB ILE A 42 3.150 2.081 -2.017 1.00 0.00 C ATOM 657 CG1 ILE A 42 3.356 3.611 -1.929 1.00 0.00 C ATOM 658 CG2 ILE A 42 1.718 1.709 -1.664 1.00 0.00 C ATOM 659 CD1 ILE A 42 3.251 4.187 -0.533 1.00 0.00 C ATOM 0 H ILE A 42 5.811 1.545 -2.356 1.00 0.00 H new ATOM 0 HA ILE A 42 3.947 1.520 -0.073 1.00 0.00 H new ATOM 0 HB ILE A 42 3.342 1.788 -3.049 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.338 3.855 -2.335 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.618 4.100 -2.565 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.030 2.263 -2.303 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.572 0.640 -1.816 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.524 1.957 -0.620 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.410 5.265 -0.571 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.261 3.980 -0.128 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.007 3.731 0.106 1.00 0.00 H new ATOM 671 N PHE A 43 3.499 -0.908 -0.473 1.00 0.00 N ATOM 672 CA PHE A 43 3.285 -2.324 -0.652 1.00 0.00 C ATOM 673 C PHE A 43 1.802 -2.597 -0.802 1.00 0.00 C ATOM 674 O PHE A 43 1.020 -2.269 0.089 1.00 0.00 O ATOM 675 CB PHE A 43 3.858 -3.134 0.526 1.00 0.00 C ATOM 676 CG PHE A 43 3.649 -4.620 0.377 1.00 0.00 C ATOM 677 CD1 PHE A 43 4.496 -5.370 -0.415 1.00 0.00 C ATOM 678 CD2 PHE A 43 2.584 -5.255 1.001 1.00 0.00 C ATOM 679 CE1 PHE A 43 4.294 -6.721 -0.577 1.00 0.00 C ATOM 680 CE2 PHE A 43 2.374 -6.604 0.837 1.00 0.00 C ATOM 681 CZ PHE A 43 3.228 -7.337 0.049 1.00 0.00 C ATOM 0 H PHE A 43 3.221 -0.551 0.441 1.00 0.00 H new ATOM 0 HA PHE A 43 3.809 -2.638 -1.555 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.925 -2.930 0.615 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.391 -2.798 1.452 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.326 -4.891 -0.913 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.912 -4.682 1.623 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.968 -7.299 -1.192 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.540 -7.086 1.326 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.065 -8.397 -0.081 1.00 0.00 H new ATOM 691 N PHE A 44 1.427 -3.171 -1.913 1.00 0.00 N ATOM 692 CA PHE A 44 0.020 -3.509 -2.173 1.00 0.00 C ATOM 693 C PHE A 44 -0.358 -4.876 -1.614 1.00 0.00 C ATOM 694 O PHE A 44 0.335 -5.879 -1.843 1.00 0.00 O ATOM 695 CB PHE A 44 -0.304 -3.467 -3.663 1.00 0.00 C ATOM 696 CG PHE A 44 -0.241 -2.102 -4.259 1.00 0.00 C ATOM 697 CD1 PHE A 44 -1.294 -1.230 -4.103 1.00 0.00 C ATOM 698 CD2 PHE A 44 0.859 -1.691 -4.975 1.00 0.00 C ATOM 699 CE1 PHE A 44 -1.257 0.028 -4.647 1.00 0.00 C ATOM 700 CE2 PHE A 44 0.901 -0.433 -5.521 1.00 0.00 C ATOM 701 CZ PHE A 44 -0.158 0.428 -5.357 1.00 0.00 C ATOM 0 H PHE A 44 2.066 -3.423 -2.667 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.570 -2.750 -1.659 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.392 -4.117 -4.194 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.303 -3.875 -3.819 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.163 -1.541 -3.543 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.694 -2.362 -5.108 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.092 0.700 -4.516 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.769 -0.118 -6.081 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.123 1.418 -5.788 1.00 0.00 H new ATOM 711 N PHE A 45 -1.462 -4.920 -0.910 1.00 0.00 N ATOM 712 CA PHE A 45 -1.952 -6.151 -0.330 1.00 0.00 C ATOM 713 C PHE A 45 -2.800 -6.924 -1.340 1.00 0.00 C ATOM 714 O PHE A 45 -3.299 -6.354 -2.304 1.00 0.00 O ATOM 715 CB PHE A 45 -2.775 -5.869 0.921 1.00 0.00 C ATOM 716 CG PHE A 45 -2.000 -5.282 2.051 1.00 0.00 C ATOM 717 CD1 PHE A 45 -1.032 -6.028 2.683 1.00 0.00 C ATOM 718 CD2 PHE A 45 -2.249 -4.001 2.497 1.00 0.00 C ATOM 719 CE1 PHE A 45 -0.325 -5.516 3.738 1.00 0.00 C ATOM 720 CE2 PHE A 45 -1.541 -3.477 3.555 1.00 0.00 C ATOM 721 CZ PHE A 45 -0.576 -4.241 4.178 1.00 0.00 C ATOM 0 H PHE A 45 -2.047 -4.106 -0.722 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.089 -6.757 -0.055 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.586 -5.189 0.661 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.234 -6.799 1.256 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.827 -7.032 2.342 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.006 -3.403 2.012 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.430 -6.116 4.224 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.740 -2.472 3.896 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.019 -3.836 5.010 1.00 0.00 H new ATOM 731 N GLY A 46 -2.937 -8.216 -1.121 1.00 0.00 N ATOM 732 CA GLY A 46 -3.728 -9.101 -1.976 1.00 0.00 C ATOM 733 C GLY A 46 -3.068 -9.454 -3.305 1.00 0.00 C ATOM 734 O GLY A 46 -3.447 -10.448 -3.958 1.00 0.00 O ATOM 0 H GLY A 46 -2.499 -8.695 -0.335 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.934 -10.022 -1.431 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.689 -8.628 -2.177 1.00 0.00 H new ATOM 738 N THR A 47 -2.124 -8.663 -3.727 1.00 0.00 N ATOM 739 CA THR A 47 -1.338 -8.982 -4.886 1.00 0.00 C ATOM 740 C THR A 47 0.123 -9.096 -4.498 1.00 0.00 C ATOM 741 O THR A 47 0.892 -9.799 -5.140 1.00 0.00 O ATOM 742 CB THR A 47 -1.507 -7.898 -5.956 1.00 0.00 C ATOM 743 OG1 THR A 47 -1.355 -6.610 -5.344 1.00 0.00 O ATOM 744 CG2 THR A 47 -2.867 -7.993 -6.622 1.00 0.00 C ATOM 0 H THR A 47 -1.877 -7.780 -3.279 1.00 0.00 H new ATOM 0 HA THR A 47 -1.679 -9.934 -5.292 1.00 0.00 H new ATOM 0 HB THR A 47 -0.746 -8.041 -6.723 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.213 -5.933 -6.038 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.958 -7.212 -7.376 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.973 -8.969 -7.096 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.649 -7.867 -5.873 1.00 0.00 H new ATOM 752 N HIS A 48 0.473 -8.440 -3.374 1.00 0.00 N ATOM 753 CA HIS A 48 1.831 -8.434 -2.825 1.00 0.00 C ATOM 754 C HIS A 48 2.803 -7.681 -3.726 1.00 0.00 C ATOM 755 O HIS A 48 4.014 -7.902 -3.673 1.00 0.00 O ATOM 756 CB HIS A 48 2.342 -9.855 -2.453 1.00 0.00 C ATOM 757 CG HIS A 48 1.726 -10.422 -1.193 1.00 0.00 C ATOM 758 ND1 HIS A 48 2.466 -11.033 -0.191 1.00 0.00 N ATOM 759 CD2 HIS A 48 0.435 -10.481 -0.775 1.00 0.00 C ATOM 760 CE1 HIS A 48 1.651 -11.433 0.774 1.00 0.00 C ATOM 761 NE2 HIS A 48 0.428 -11.111 0.440 1.00 0.00 N ATOM 0 H HIS A 48 -0.190 -7.896 -2.821 1.00 0.00 H new ATOM 0 HA HIS A 48 1.780 -7.885 -1.884 1.00 0.00 H new ATOM 0 HB2 HIS A 48 2.136 -10.532 -3.282 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.425 -9.820 -2.331 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -0.427 -10.101 -1.304 1.00 0.00 H new ATOM 0 HE1 HIS A 48 1.946 -11.939 1.682 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -0.404 -11.300 0.999 1.00 0.00 H new ATOM 770 N GLU A 49 2.261 -6.746 -4.490 1.00 0.00 N ATOM 771 CA GLU A 49 3.034 -5.890 -5.370 1.00 0.00 C ATOM 772 C GLU A 49 3.664 -4.784 -4.543 1.00 0.00 C ATOM 773 O GLU A 49 3.243 -4.519 -3.426 1.00 0.00 O ATOM 774 CB GLU A 49 2.111 -5.250 -6.408 1.00 0.00 C ATOM 775 CG GLU A 49 1.393 -6.232 -7.312 1.00 0.00 C ATOM 776 CD GLU A 49 0.286 -5.571 -8.113 1.00 0.00 C ATOM 777 OE1 GLU A 49 -0.748 -5.224 -7.507 1.00 0.00 O ATOM 778 OE2 GLU A 49 0.441 -5.389 -9.333 1.00 0.00 O ATOM 0 H GLU A 49 1.259 -6.559 -4.515 1.00 0.00 H new ATOM 0 HA GLU A 49 3.800 -6.481 -5.872 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.367 -4.645 -5.889 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.698 -4.571 -7.026 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.111 -6.687 -7.994 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.972 -7.037 -6.709 1.00 0.00 H new ATOM 785 N THR A 50 4.652 -4.151 -5.065 1.00 0.00 N ATOM 786 CA THR A 50 5.266 -3.046 -4.386 1.00 0.00 C ATOM 787 C THR A 50 5.494 -1.944 -5.398 1.00 0.00 C ATOM 788 O THR A 50 5.841 -2.214 -6.546 1.00 0.00 O ATOM 789 CB THR A 50 6.594 -3.446 -3.736 1.00 0.00 C ATOM 790 OG1 THR A 50 6.421 -4.703 -3.061 1.00 0.00 O ATOM 791 CG2 THR A 50 7.025 -2.403 -2.708 1.00 0.00 C ATOM 0 H THR A 50 5.063 -4.376 -5.971 1.00 0.00 H new ATOM 0 HA THR A 50 4.608 -2.708 -3.586 1.00 0.00 H new ATOM 0 HB THR A 50 7.355 -3.521 -4.512 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.266 -4.969 -2.642 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.970 -2.705 -2.257 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.149 -1.438 -3.199 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.264 -2.320 -1.932 1.00 0.00 H new ATOM 799 N ALA A 51 5.270 -0.746 -4.984 1.00 0.00 N ATOM 800 CA ALA A 51 5.359 0.407 -5.851 1.00 0.00 C ATOM 801 C ALA A 51 5.940 1.593 -5.126 1.00 0.00 C ATOM 802 O ALA A 51 6.269 1.508 -3.948 1.00 0.00 O ATOM 803 CB ALA A 51 3.989 0.756 -6.329 1.00 0.00 C ATOM 0 H ALA A 51 5.015 -0.522 -4.022 1.00 0.00 H new ATOM 0 HA ALA A 51 6.012 0.161 -6.688 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.043 1.625 -6.985 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.569 -0.087 -6.878 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.353 0.985 -5.474 1.00 0.00 H new ATOM 809 N PHE A 52 6.073 2.694 -5.844 1.00 0.00 N ATOM 810 CA PHE A 52 6.579 3.935 -5.301 1.00 0.00 C ATOM 811 C PHE A 52 5.686 5.067 -5.753 1.00 0.00 C ATOM 812 O PHE A 52 5.602 5.358 -6.949 1.00 0.00 O ATOM 813 CB PHE A 52 8.018 4.181 -5.755 1.00 0.00 C ATOM 814 CG PHE A 52 8.966 3.068 -5.371 1.00 0.00 C ATOM 815 CD1 PHE A 52 9.430 2.954 -4.071 1.00 0.00 C ATOM 816 CD2 PHE A 52 9.361 2.117 -6.301 1.00 0.00 C ATOM 817 CE1 PHE A 52 10.270 1.919 -3.707 1.00 0.00 C ATOM 818 CE2 PHE A 52 10.198 1.080 -5.941 1.00 0.00 C ATOM 819 CZ PHE A 52 10.654 0.982 -4.642 1.00 0.00 C ATOM 0 H PHE A 52 5.829 2.749 -6.833 1.00 0.00 H new ATOM 0 HA PHE A 52 6.579 3.877 -4.213 1.00 0.00 H new ATOM 0 HB2 PHE A 52 8.034 4.304 -6.838 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.373 5.116 -5.322 1.00 0.00 H new ATOM 0 HD1 PHE A 52 9.131 3.683 -3.332 1.00 0.00 H new ATOM 0 HD2 PHE A 52 9.009 2.189 -7.320 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.626 1.844 -2.690 1.00 0.00 H new ATOM 0 HE2 PHE A 52 10.496 0.346 -6.675 1.00 0.00 H new ATOM 0 HZ PHE A 52 11.311 0.173 -4.359 1.00 0.00 H new ATOM 829 N LEU A 53 5.025 5.693 -4.825 1.00 0.00 N ATOM 830 CA LEU A 53 4.097 6.765 -5.139 1.00 0.00 C ATOM 831 C LEU A 53 4.393 7.971 -4.292 1.00 0.00 C ATOM 832 O LEU A 53 5.143 7.879 -3.322 1.00 0.00 O ATOM 833 CB LEU A 53 2.655 6.313 -4.919 1.00 0.00 C ATOM 834 CG LEU A 53 2.159 5.179 -5.813 1.00 0.00 C ATOM 835 CD1 LEU A 53 0.820 4.704 -5.326 1.00 0.00 C ATOM 836 CD2 LEU A 53 2.052 5.647 -7.260 1.00 0.00 C ATOM 0 H LEU A 53 5.106 5.484 -3.830 1.00 0.00 H new ATOM 0 HA LEU A 53 4.220 7.029 -6.189 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.549 6.001 -3.880 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.001 7.173 -5.062 1.00 0.00 H new ATOM 0 HG LEU A 53 2.873 4.357 -5.769 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.467 3.895 -5.965 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.912 4.344 -4.301 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.108 5.529 -5.358 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.697 4.826 -7.883 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.351 6.479 -7.322 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.032 5.971 -7.611 1.00 0.00 H new ATOM 848 N GLY A 54 3.821 9.093 -4.654 1.00 0.00 N ATOM 849 CA GLY A 54 4.032 10.286 -3.907 1.00 0.00 C ATOM 850 C GLY A 54 2.949 10.453 -2.872 1.00 0.00 C ATOM 851 O GLY A 54 1.912 9.790 -2.960 1.00 0.00 O ATOM 0 H GLY A 54 3.208 9.195 -5.463 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.007 10.251 -3.421 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.040 11.146 -4.577 1.00 0.00 H new ATOM 855 N PRO A 55 3.116 11.376 -1.917 1.00 0.00 N ATOM 856 CA PRO A 55 2.153 11.586 -0.812 1.00 0.00 C ATOM 857 C PRO A 55 0.805 12.134 -1.294 1.00 0.00 C ATOM 858 O PRO A 55 -0.165 12.250 -0.530 1.00 0.00 O ATOM 859 CB PRO A 55 2.859 12.600 0.093 1.00 0.00 C ATOM 860 CG PRO A 55 3.826 13.302 -0.799 1.00 0.00 C ATOM 861 CD PRO A 55 4.268 12.287 -1.816 1.00 0.00 C ATOM 0 HA PRO A 55 1.906 10.650 -0.311 1.00 0.00 H new ATOM 0 HB2 PRO A 55 2.148 13.299 0.533 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.371 12.104 0.918 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.358 14.160 -1.282 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.676 13.680 -0.231 1.00 0.00 H new ATOM 0 HD2 PRO A 55 4.496 12.753 -2.775 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.168 11.762 -1.494 1.00 0.00 H new ATOM 869 N LYS A 56 0.741 12.464 -2.548 1.00 0.00 N ATOM 870 CA LYS A 56 -0.481 12.967 -3.123 1.00 0.00 C ATOM 871 C LYS A 56 -1.287 11.830 -3.731 1.00 0.00 C ATOM 872 O LYS A 56 -2.472 11.959 -3.975 1.00 0.00 O ATOM 873 CB LYS A 56 -0.204 14.019 -4.196 1.00 0.00 C ATOM 874 CG LYS A 56 0.581 13.491 -5.396 1.00 0.00 C ATOM 875 CD LYS A 56 0.647 14.506 -6.523 1.00 0.00 C ATOM 876 CE LYS A 56 1.359 13.940 -7.751 1.00 0.00 C ATOM 877 NZ LYS A 56 0.701 12.707 -8.276 1.00 0.00 N ATOM 0 H LYS A 56 1.522 12.395 -3.200 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.051 13.433 -2.320 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -1.153 14.425 -4.546 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.349 14.844 -3.747 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.592 13.231 -5.082 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.115 12.575 -5.760 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.363 14.812 -6.797 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.169 15.399 -6.179 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.382 14.697 -8.535 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.394 13.715 -7.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.805 12.672 -9.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.149 11.868 -7.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.309 12.721 -8.030 1.00 0.00 H new ATOM 891 N ASP A 57 -0.623 10.732 -3.967 1.00 0.00 N ATOM 892 CA ASP A 57 -1.234 9.597 -4.639 1.00 0.00 C ATOM 893 C ASP A 57 -1.655 8.547 -3.655 1.00 0.00 C ATOM 894 O ASP A 57 -2.172 7.480 -4.038 1.00 0.00 O ATOM 895 CB ASP A 57 -0.281 9.003 -5.682 1.00 0.00 C ATOM 896 CG ASP A 57 0.016 9.969 -6.803 1.00 0.00 C ATOM 897 OD1 ASP A 57 -0.848 10.144 -7.704 1.00 0.00 O ATOM 898 OD2 ASP A 57 1.099 10.592 -6.804 1.00 0.00 O ATOM 0 H ASP A 57 0.352 10.590 -3.704 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.126 9.957 -5.152 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.652 8.715 -5.197 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.719 8.094 -6.095 1.00 0.00 H new ATOM 903 N ILE A 58 -1.428 8.843 -2.405 1.00 0.00 N ATOM 904 CA ILE A 58 -1.769 7.980 -1.317 1.00 0.00 C ATOM 905 C ILE A 58 -2.626 8.710 -0.300 1.00 0.00 C ATOM 906 O ILE A 58 -2.459 9.931 -0.045 1.00 0.00 O ATOM 907 CB ILE A 58 -0.521 7.429 -0.624 1.00 0.00 C ATOM 908 CG1 ILE A 58 0.408 8.572 -0.243 1.00 0.00 C ATOM 909 CG2 ILE A 58 0.176 6.414 -1.504 1.00 0.00 C ATOM 910 CD1 ILE A 58 1.670 8.137 0.419 1.00 0.00 C ATOM 0 H ILE A 58 -0.989 9.715 -2.111 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.332 7.145 -1.734 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.819 6.915 0.290 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.658 9.137 -1.141 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.124 9.251 0.424 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.061 6.035 -0.992 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.503 5.588 -1.715 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.473 6.887 -2.440 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.276 9.011 0.658 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.433 7.598 1.336 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.226 7.483 -0.252 1.00 0.00 H new ATOM 922 N PHE A 59 -3.512 7.980 0.284 1.00 0.00 N ATOM 923 CA PHE A 59 -4.454 8.507 1.231 1.00 0.00 C ATOM 924 C PHE A 59 -4.544 7.544 2.415 1.00 0.00 C ATOM 925 O PHE A 59 -4.407 6.362 2.229 1.00 0.00 O ATOM 926 CB PHE A 59 -5.835 8.656 0.571 1.00 0.00 C ATOM 927 CG PHE A 59 -5.868 9.514 -0.670 1.00 0.00 C ATOM 928 CD1 PHE A 59 -5.991 10.882 -0.576 1.00 0.00 C ATOM 929 CD2 PHE A 59 -5.780 8.944 -1.925 1.00 0.00 C ATOM 930 CE1 PHE A 59 -6.022 11.674 -1.701 1.00 0.00 C ATOM 931 CE2 PHE A 59 -5.811 9.727 -3.060 1.00 0.00 C ATOM 932 CZ PHE A 59 -5.932 11.096 -2.948 1.00 0.00 C ATOM 0 H PHE A 59 -3.610 6.978 0.119 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.126 9.488 1.574 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.207 7.663 0.316 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.525 9.077 1.302 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -6.065 11.342 0.398 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.686 7.872 -2.019 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -6.117 12.746 -1.606 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.741 9.268 -4.035 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.956 11.713 -3.834 1.00 0.00 H new ATOM 942 N PRO A 60 -4.729 8.051 3.650 1.00 0.00 N ATOM 943 CA PRO A 60 -4.810 7.201 4.862 1.00 0.00 C ATOM 944 C PRO A 60 -6.054 6.335 4.925 1.00 0.00 C ATOM 945 O PRO A 60 -7.167 6.844 4.859 1.00 0.00 O ATOM 946 CB PRO A 60 -4.804 8.212 6.012 1.00 0.00 C ATOM 947 CG PRO A 60 -5.271 9.493 5.408 1.00 0.00 C ATOM 948 CD PRO A 60 -4.844 9.473 3.967 1.00 0.00 C ATOM 0 HA PRO A 60 -3.988 6.486 4.889 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.463 7.894 6.820 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.806 8.318 6.438 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -6.354 9.587 5.489 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.837 10.347 5.928 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.576 9.966 3.327 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.896 9.991 3.825 1.00 0.00 H new ATOM 956 N TYR A 61 -5.841 5.034 5.139 1.00 0.00 N ATOM 957 CA TYR A 61 -6.912 4.032 5.223 1.00 0.00 C ATOM 958 C TYR A 61 -7.974 4.453 6.218 1.00 0.00 C ATOM 959 O TYR A 61 -9.156 4.304 5.969 1.00 0.00 O ATOM 960 CB TYR A 61 -6.323 2.650 5.612 1.00 0.00 C ATOM 961 CG TYR A 61 -7.349 1.591 6.007 1.00 0.00 C ATOM 962 CD1 TYR A 61 -8.008 0.828 5.057 1.00 0.00 C ATOM 963 CD2 TYR A 61 -7.655 1.369 7.348 1.00 0.00 C ATOM 964 CE1 TYR A 61 -8.946 -0.120 5.427 1.00 0.00 C ATOM 965 CE2 TYR A 61 -8.584 0.425 7.723 1.00 0.00 C ATOM 966 CZ TYR A 61 -9.226 -0.315 6.764 1.00 0.00 C ATOM 967 OH TYR A 61 -10.167 -1.235 7.146 1.00 0.00 O ATOM 0 H TYR A 61 -4.908 4.640 5.261 1.00 0.00 H new ATOM 0 HA TYR A 61 -7.382 3.952 4.243 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.741 2.272 4.772 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.631 2.789 6.443 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.786 0.975 4.010 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -7.153 1.949 8.108 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.455 -0.703 4.674 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.806 0.268 8.768 1.00 0.00 H new ATOM 0 HH TYR A 61 -10.237 -1.244 8.123 1.00 0.00 H new ATOM 977 N SER A 62 -7.529 5.022 7.307 1.00 0.00 N ATOM 978 CA SER A 62 -8.383 5.450 8.379 1.00 0.00 C ATOM 979 C SER A 62 -9.455 6.450 7.905 1.00 0.00 C ATOM 980 O SER A 62 -10.621 6.331 8.279 1.00 0.00 O ATOM 981 CB SER A 62 -7.506 6.078 9.444 1.00 0.00 C ATOM 982 OG SER A 62 -6.380 5.240 9.700 1.00 0.00 O ATOM 0 H SER A 62 -6.540 5.204 7.475 1.00 0.00 H new ATOM 0 HA SER A 62 -8.921 4.588 8.775 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.171 7.063 9.118 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.078 6.223 10.360 1.00 0.00 H new ATOM 0 HG SER A 62 -5.816 5.651 10.388 1.00 0.00 H new ATOM 988 N GLU A 63 -9.073 7.366 7.030 1.00 0.00 N ATOM 989 CA GLU A 63 -9.966 8.445 6.642 1.00 0.00 C ATOM 990 C GLU A 63 -10.722 8.133 5.354 1.00 0.00 C ATOM 991 O GLU A 63 -11.720 8.768 5.032 1.00 0.00 O ATOM 992 CB GLU A 63 -9.186 9.747 6.477 1.00 0.00 C ATOM 993 CG GLU A 63 -8.257 10.074 7.641 1.00 0.00 C ATOM 994 CD GLU A 63 -8.928 9.987 8.997 1.00 0.00 C ATOM 995 OE1 GLU A 63 -9.667 10.910 9.352 1.00 0.00 O ATOM 996 OE2 GLU A 63 -8.706 8.970 9.699 1.00 0.00 O ATOM 0 H GLU A 63 -8.159 7.385 6.578 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.700 8.555 7.440 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.597 9.690 5.562 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -9.893 10.567 6.350 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.408 9.390 7.621 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.859 11.080 7.506 1.00 0.00 H new ATOM 1003 N ASN A 64 -10.226 7.197 4.587 1.00 0.00 N ATOM 1004 CA ASN A 64 -10.871 6.874 3.327 1.00 0.00 C ATOM 1005 C ASN A 64 -11.255 5.438 3.172 1.00 0.00 C ATOM 1006 O ASN A 64 -11.437 4.951 2.057 1.00 0.00 O ATOM 1007 CB ASN A 64 -10.108 7.420 2.116 1.00 0.00 C ATOM 1008 CG ASN A 64 -8.627 7.436 2.268 1.00 0.00 C ATOM 1009 OD1 ASN A 64 -7.941 6.508 1.922 1.00 0.00 O ATOM 1010 ND2 ASN A 64 -8.117 8.524 2.787 1.00 0.00 N ATOM 0 H ASN A 64 -9.392 6.650 4.801 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.823 7.404 3.364 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -10.363 6.820 1.242 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -10.450 8.436 1.916 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -7.108 8.606 2.910 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -8.729 9.290 3.069 1.00 0.00 H new ATOM 1017 N LYS A 65 -11.487 4.787 4.282 1.00 0.00 N ATOM 1018 CA LYS A 65 -11.982 3.409 4.273 1.00 0.00 C ATOM 1019 C LYS A 65 -13.437 3.397 3.778 1.00 0.00 C ATOM 1020 O LYS A 65 -13.876 2.472 3.124 1.00 0.00 O ATOM 1021 CB LYS A 65 -11.852 2.783 5.669 1.00 0.00 C ATOM 1022 CG LYS A 65 -12.633 3.505 6.732 1.00 0.00 C ATOM 1023 CD LYS A 65 -12.152 3.204 8.133 1.00 0.00 C ATOM 1024 CE LYS A 65 -12.967 3.992 9.160 1.00 0.00 C ATOM 1025 NZ LYS A 65 -13.065 5.441 8.811 1.00 0.00 N ATOM 0 H LYS A 65 -11.345 5.178 5.213 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.381 2.806 3.592 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.188 1.747 5.625 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.800 2.766 5.953 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -12.568 4.579 6.555 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -13.685 3.232 6.649 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -12.240 2.136 8.332 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.096 3.460 8.224 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -13.969 3.568 9.229 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -12.508 3.887 10.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -13.111 6.006 9.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -12.229 5.723 8.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -13.923 5.605 8.247 1.00 0.00 H new ATOM 1039 N GLU A 66 -14.147 4.471 4.059 1.00 0.00 N ATOM 1040 CA GLU A 66 -15.506 4.679 3.582 1.00 0.00 C ATOM 1041 C GLU A 66 -15.475 4.804 2.080 1.00 0.00 C ATOM 1042 O GLU A 66 -16.349 4.295 1.344 1.00 0.00 O ATOM 1043 CB GLU A 66 -16.074 6.003 4.123 1.00 0.00 C ATOM 1044 CG GLU A 66 -16.379 6.081 5.612 1.00 0.00 C ATOM 1045 CD GLU A 66 -15.203 5.818 6.525 1.00 0.00 C ATOM 1046 OE1 GLU A 66 -14.052 6.183 6.188 1.00 0.00 O ATOM 1047 OE2 GLU A 66 -15.394 5.245 7.599 1.00 0.00 O ATOM 0 H GLU A 66 -13.794 5.237 4.633 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.119 3.841 3.914 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.366 6.796 3.883 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.993 6.222 3.580 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.776 7.072 5.834 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -17.166 5.363 5.843 1.00 0.00 H new ATOM 1054 N LYS A 67 -14.451 5.479 1.625 1.00 0.00 N ATOM 1055 CA LYS A 67 -14.303 5.792 0.241 1.00 0.00 C ATOM 1056 C LYS A 67 -13.846 4.603 -0.561 1.00 0.00 C ATOM 1057 O LYS A 67 -14.545 4.141 -1.464 1.00 0.00 O ATOM 1058 CB LYS A 67 -13.273 6.891 0.003 1.00 0.00 C ATOM 1059 CG LYS A 67 -13.461 8.180 0.758 1.00 0.00 C ATOM 1060 CD LYS A 67 -12.548 9.274 0.177 1.00 0.00 C ATOM 1061 CE LYS A 67 -12.958 9.677 -1.250 1.00 0.00 C ATOM 1062 NZ LYS A 67 -11.939 10.535 -1.911 1.00 0.00 N ATOM 0 H LYS A 67 -13.695 5.826 2.215 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.293 6.118 -0.077 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.289 6.493 0.252 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.263 7.121 -1.062 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.503 8.496 0.699 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.233 8.029 1.813 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -12.579 10.151 0.823 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.517 8.919 0.170 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -13.116 8.779 -1.847 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.909 10.208 -1.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.323 10.905 -2.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.694 11.328 -1.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.086 9.973 -2.107 1.00 0.00 H new ATOM 1076 N TYR A 68 -12.705 4.098 -0.209 1.00 0.00 N ATOM 1077 CA TYR A 68 -12.031 3.128 -1.034 1.00 0.00 C ATOM 1078 C TYR A 68 -12.077 1.736 -0.443 1.00 0.00 C ATOM 1079 O TYR A 68 -11.760 0.764 -1.114 1.00 0.00 O ATOM 1080 CB TYR A 68 -10.581 3.560 -1.233 1.00 0.00 C ATOM 1081 CG TYR A 68 -10.402 5.000 -1.682 1.00 0.00 C ATOM 1082 CD1 TYR A 68 -11.041 5.490 -2.812 1.00 0.00 C ATOM 1083 CD2 TYR A 68 -9.589 5.860 -0.969 1.00 0.00 C ATOM 1084 CE1 TYR A 68 -10.866 6.804 -3.215 1.00 0.00 C ATOM 1085 CE2 TYR A 68 -9.405 7.166 -1.360 1.00 0.00 C ATOM 1086 CZ TYR A 68 -10.038 7.635 -2.481 1.00 0.00 C ATOM 1087 OH TYR A 68 -9.854 8.947 -2.865 1.00 0.00 O ATOM 0 H TYR A 68 -12.212 4.340 0.651 1.00 0.00 H new ATOM 0 HA TYR A 68 -12.551 3.086 -1.991 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -10.042 3.416 -0.297 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -10.119 2.904 -1.971 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -11.684 4.838 -3.385 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -9.086 5.499 -0.084 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -11.371 7.176 -4.094 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -8.764 7.819 -0.786 1.00 0.00 H new ATOM 0 HH TYR A 68 -9.243 9.389 -2.239 1.00 0.00 H new ATOM 1097 N GLY A 69 -12.525 1.633 0.787 1.00 0.00 N ATOM 1098 CA GLY A 69 -12.548 0.356 1.475 1.00 0.00 C ATOM 1099 C GLY A 69 -13.758 -0.491 1.124 1.00 0.00 C ATOM 1100 O GLY A 69 -14.361 -1.111 1.985 1.00 0.00 O ATOM 0 H GLY A 69 -12.879 2.417 1.335 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.642 -0.198 1.230 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.534 0.530 2.551 1.00 0.00 H new ATOM 1104 N LYS A 70 -14.110 -0.508 -0.136 1.00 0.00 N ATOM 1105 CA LYS A 70 -15.209 -1.307 -0.609 1.00 0.00 C ATOM 1106 C LYS A 70 -14.692 -2.229 -1.688 1.00 0.00 C ATOM 1107 O LYS A 70 -14.085 -1.763 -2.656 1.00 0.00 O ATOM 1108 CB LYS A 70 -16.383 -0.448 -1.105 1.00 0.00 C ATOM 1109 CG LYS A 70 -17.048 0.368 0.008 1.00 0.00 C ATOM 1110 CD LYS A 70 -18.296 1.113 -0.468 1.00 0.00 C ATOM 1111 CE LYS A 70 -17.983 2.162 -1.527 1.00 0.00 C ATOM 1112 NZ LYS A 70 -17.012 3.163 -1.038 1.00 0.00 N ATOM 0 H LYS A 70 -13.642 0.033 -0.863 1.00 0.00 H new ATOM 0 HA LYS A 70 -15.608 -1.895 0.217 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -16.026 0.230 -1.880 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -17.129 -1.095 -1.567 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -17.318 -0.297 0.828 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -16.330 1.087 0.404 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -19.011 0.396 -0.872 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -18.775 1.594 0.385 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -17.585 1.673 -2.416 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -18.904 2.664 -1.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -17.289 4.108 -1.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -16.998 3.154 0.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.064 2.933 -1.399 1.00 0.00 H new ATOM 1126 N PRO A 71 -14.902 -3.548 -1.536 1.00 0.00 N ATOM 1127 CA PRO A 71 -14.309 -4.533 -2.421 1.00 0.00 C ATOM 1128 C PRO A 71 -14.642 -4.345 -3.898 1.00 0.00 C ATOM 1129 O PRO A 71 -15.818 -4.322 -4.325 1.00 0.00 O ATOM 1130 CB PRO A 71 -14.857 -5.871 -1.950 1.00 0.00 C ATOM 1131 CG PRO A 71 -15.476 -5.637 -0.614 1.00 0.00 C ATOM 1132 CD PRO A 71 -15.738 -4.165 -0.486 1.00 0.00 C ATOM 0 HA PRO A 71 -13.224 -4.448 -2.368 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -15.593 -6.257 -2.655 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -14.061 -6.613 -1.883 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -16.404 -6.201 -0.518 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -14.812 -5.978 0.180 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -16.793 -3.935 -0.633 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -15.467 -3.798 0.504 1.00 0.00 H new ATOM 1140 N ASN A 72 -13.594 -4.306 -4.675 1.00 0.00 N ATOM 1141 CA ASN A 72 -13.678 -4.206 -6.124 1.00 0.00 C ATOM 1142 C ASN A 72 -13.852 -5.572 -6.676 1.00 0.00 C ATOM 1143 O ASN A 72 -14.105 -6.524 -5.942 1.00 0.00 O ATOM 1144 CB ASN A 72 -12.393 -3.598 -6.751 1.00 0.00 C ATOM 1145 CG ASN A 72 -12.238 -2.102 -6.609 1.00 0.00 C ATOM 1146 OD1 ASN A 72 -11.651 -1.459 -7.468 1.00 0.00 O ATOM 1147 ND2 ASN A 72 -12.731 -1.564 -5.554 1.00 0.00 N ATOM 0 H ASN A 72 -12.638 -4.343 -4.323 1.00 0.00 H new ATOM 0 HA ASN A 72 -14.517 -3.552 -6.365 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.527 -4.079 -6.297 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.376 -3.847 -7.812 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -12.641 -0.559 -5.405 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -13.213 -2.141 -4.865 1.00 0.00 H new ATOM 1154 N LYS A 73 -13.753 -5.680 -7.953 1.00 0.00 N ATOM 1155 CA LYS A 73 -13.772 -6.956 -8.591 1.00 0.00 C ATOM 1156 C LYS A 73 -12.392 -7.211 -9.158 1.00 0.00 C ATOM 1157 O LYS A 73 -12.189 -8.008 -10.048 1.00 0.00 O ATOM 1158 CB LYS A 73 -14.911 -7.023 -9.616 1.00 0.00 C ATOM 1159 CG LYS A 73 -16.284 -6.780 -8.961 1.00 0.00 C ATOM 1160 CD LYS A 73 -16.580 -7.833 -7.881 1.00 0.00 C ATOM 1161 CE LYS A 73 -17.760 -7.448 -6.991 1.00 0.00 C ATOM 1162 NZ LYS A 73 -17.438 -6.279 -6.109 1.00 0.00 N ATOM 0 H LYS A 73 -13.656 -4.888 -8.589 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.987 -7.761 -7.888 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -14.743 -6.280 -10.395 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -14.907 -7.999 -10.101 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -16.307 -5.784 -8.518 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -17.063 -6.808 -9.723 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.788 -8.790 -8.360 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.694 -7.972 -7.262 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -18.621 -7.206 -7.614 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -18.043 -8.301 -6.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.874 -6.418 -5.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.407 -6.199 -6.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.809 -5.408 -6.538 1.00 0.00 H new ATOM 1176 N ARG A 74 -11.436 -6.498 -8.570 1.00 0.00 N ATOM 1177 CA ARG A 74 -10.036 -6.689 -8.857 1.00 0.00 C ATOM 1178 C ARG A 74 -9.527 -7.784 -7.941 1.00 0.00 C ATOM 1179 O ARG A 74 -9.750 -7.713 -6.712 1.00 0.00 O ATOM 1180 CB ARG A 74 -9.256 -5.405 -8.548 1.00 0.00 C ATOM 1181 CG ARG A 74 -9.407 -4.259 -9.537 1.00 0.00 C ATOM 1182 CD ARG A 74 -8.617 -4.513 -10.819 1.00 0.00 C ATOM 1183 NE ARG A 74 -8.602 -3.324 -11.692 1.00 0.00 N ATOM 1184 CZ ARG A 74 -7.485 -2.669 -12.110 1.00 0.00 C ATOM 1185 NH1 ARG A 74 -6.260 -3.099 -11.751 1.00 0.00 N ATOM 1186 NH2 ARG A 74 -7.601 -1.587 -12.879 1.00 0.00 N ATOM 0 H ARG A 74 -11.621 -5.771 -7.879 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.904 -6.947 -9.908 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -9.563 -5.049 -7.565 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.198 -5.658 -8.479 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.461 -4.124 -9.780 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.065 -3.333 -9.076 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.594 -4.793 -10.567 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.055 -5.354 -11.356 1.00 0.00 H new ATOM 0 HE ARG A 74 -9.502 -2.963 -12.008 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -6.162 -3.924 -11.159 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -5.430 -2.599 -12.071 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -8.525 -1.252 -13.152 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -6.766 -1.093 -13.194 1.00 0.00 H new ATOM 1200 N LYS A 75 -8.881 -8.797 -8.499 1.00 0.00 N ATOM 1201 CA LYS A 75 -8.304 -9.834 -7.685 1.00 0.00 C ATOM 1202 C LYS A 75 -7.206 -9.207 -6.868 1.00 0.00 C ATOM 1203 O LYS A 75 -6.410 -8.436 -7.388 1.00 0.00 O ATOM 1204 CB LYS A 75 -7.714 -10.947 -8.536 1.00 0.00 C ATOM 1205 CG LYS A 75 -7.411 -12.220 -7.740 1.00 0.00 C ATOM 1206 CD LYS A 75 -5.990 -12.702 -7.950 1.00 0.00 C ATOM 1207 CE LYS A 75 -4.958 -11.906 -7.129 1.00 0.00 C ATOM 1208 NZ LYS A 75 -5.111 -12.109 -5.660 1.00 0.00 N ATOM 0 H LYS A 75 -8.749 -8.915 -9.503 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.078 -10.272 -7.055 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.408 -11.187 -9.341 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.796 -10.591 -9.002 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.576 -12.031 -6.679 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.107 -13.005 -8.036 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.926 -13.756 -7.680 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.740 -12.628 -9.008 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.953 -12.203 -7.430 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.059 -10.845 -7.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.323 -11.648 -5.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.010 -11.693 -5.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.107 -13.127 -5.448 1.00 0.00 H new ATOM 1222 N GLY A 76 -7.171 -9.521 -5.622 1.00 0.00 N ATOM 1223 CA GLY A 76 -6.203 -8.963 -4.745 1.00 0.00 C ATOM 1224 C GLY A 76 -6.756 -7.844 -3.927 1.00 0.00 C ATOM 1225 O GLY A 76 -6.309 -7.610 -2.834 1.00 0.00 O ATOM 0 H GLY A 76 -7.816 -10.175 -5.179 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.825 -9.742 -4.083 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.356 -8.600 -5.327 1.00 0.00 H new ATOM 1229 N PHE A 77 -7.777 -7.190 -4.427 1.00 0.00 N ATOM 1230 CA PHE A 77 -8.339 -6.065 -3.724 1.00 0.00 C ATOM 1231 C PHE A 77 -9.123 -6.566 -2.517 1.00 0.00 C ATOM 1232 O PHE A 77 -9.005 -6.039 -1.422 1.00 0.00 O ATOM 1233 CB PHE A 77 -9.246 -5.257 -4.661 1.00 0.00 C ATOM 1234 CG PHE A 77 -9.644 -3.911 -4.130 1.00 0.00 C ATOM 1235 CD1 PHE A 77 -10.630 -3.780 -3.168 1.00 0.00 C ATOM 1236 CD2 PHE A 77 -9.019 -2.775 -4.595 1.00 0.00 C ATOM 1237 CE1 PHE A 77 -10.980 -2.540 -2.681 1.00 0.00 C ATOM 1238 CE2 PHE A 77 -9.367 -1.533 -4.114 1.00 0.00 C ATOM 1239 CZ PHE A 77 -10.349 -1.415 -3.155 1.00 0.00 C ATOM 0 H PHE A 77 -8.232 -7.416 -5.311 1.00 0.00 H new ATOM 0 HA PHE A 77 -7.537 -5.412 -3.380 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -8.735 -5.121 -5.614 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -10.147 -5.836 -4.862 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -11.131 -4.661 -2.794 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -8.247 -2.860 -5.346 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -11.749 -2.452 -1.928 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -8.870 -0.650 -4.489 1.00 0.00 H new ATOM 0 HZ PHE A 77 -10.622 -0.441 -2.777 1.00 0.00 H new ATOM 1249 N ASN A 78 -9.881 -7.631 -2.722 1.00 0.00 N ATOM 1250 CA ASN A 78 -10.735 -8.181 -1.652 1.00 0.00 C ATOM 1251 C ASN A 78 -9.857 -8.871 -0.630 1.00 0.00 C ATOM 1252 O ASN A 78 -10.031 -8.717 0.572 1.00 0.00 O ATOM 1253 CB ASN A 78 -11.797 -9.176 -2.198 1.00 0.00 C ATOM 1254 CG ASN A 78 -12.835 -8.574 -3.169 1.00 0.00 C ATOM 1255 OD1 ASN A 78 -13.974 -8.995 -3.209 1.00 0.00 O ATOM 1256 ND2 ASN A 78 -12.448 -7.603 -3.966 1.00 0.00 N ATOM 0 H ASN A 78 -9.931 -8.136 -3.607 1.00 0.00 H new ATOM 0 HA ASN A 78 -11.278 -7.355 -1.193 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -11.280 -9.990 -2.706 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -12.328 -9.614 -1.353 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -13.107 -7.194 -4.628 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -11.489 -7.259 -3.922 1.00 0.00 H new ATOM 1263 N GLU A 79 -8.883 -9.581 -1.144 1.00 0.00 N ATOM 1264 CA GLU A 79 -7.899 -10.302 -0.359 1.00 0.00 C ATOM 1265 C GLU A 79 -7.041 -9.312 0.437 1.00 0.00 C ATOM 1266 O GLU A 79 -6.738 -9.533 1.603 1.00 0.00 O ATOM 1267 CB GLU A 79 -7.040 -11.098 -1.326 1.00 0.00 C ATOM 1268 CG GLU A 79 -7.843 -12.092 -2.155 1.00 0.00 C ATOM 1269 CD GLU A 79 -7.165 -12.428 -3.451 1.00 0.00 C ATOM 1270 OE1 GLU A 79 -6.205 -13.192 -3.471 1.00 0.00 O ATOM 1271 OE2 GLU A 79 -7.549 -11.844 -4.492 1.00 0.00 O ATOM 0 H GLU A 79 -8.745 -9.679 -2.150 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.382 -10.971 0.353 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.522 -10.410 -1.995 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.274 -11.635 -0.766 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -7.994 -13.005 -1.579 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.830 -11.678 -2.360 1.00 0.00 H new ATOM 1278 N GLY A 80 -6.700 -8.203 -0.202 1.00 0.00 N ATOM 1279 CA GLY A 80 -5.898 -7.182 0.426 1.00 0.00 C ATOM 1280 C GLY A 80 -6.626 -6.473 1.528 1.00 0.00 C ATOM 1281 O GLY A 80 -6.012 -6.057 2.504 1.00 0.00 O ATOM 0 H GLY A 80 -6.972 -7.993 -1.162 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.991 -7.634 0.827 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.588 -6.456 -0.325 1.00 0.00 H new ATOM 1285 N LEU A 81 -7.942 -6.336 1.384 1.00 0.00 N ATOM 1286 CA LEU A 81 -8.762 -5.764 2.446 1.00 0.00 C ATOM 1287 C LEU A 81 -8.692 -6.648 3.675 1.00 0.00 C ATOM 1288 O LEU A 81 -8.719 -6.169 4.790 1.00 0.00 O ATOM 1289 CB LEU A 81 -10.218 -5.573 2.006 1.00 0.00 C ATOM 1290 CG LEU A 81 -10.477 -4.509 0.936 1.00 0.00 C ATOM 1291 CD1 LEU A 81 -11.938 -4.516 0.538 1.00 0.00 C ATOM 1292 CD2 LEU A 81 -10.086 -3.125 1.445 1.00 0.00 C ATOM 0 H LEU A 81 -8.459 -6.611 0.549 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.366 -4.777 2.683 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.589 -6.528 1.634 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.810 -5.322 2.886 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.866 -4.744 0.064 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -12.111 -3.756 -0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.202 -5.496 0.139 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.554 -4.302 1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.278 -2.384 0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.674 -2.884 2.331 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.026 -3.117 1.700 1.00 0.00 H new ATOM 1304 N TRP A 82 -8.562 -7.939 3.447 1.00 0.00 N ATOM 1305 CA TRP A 82 -8.410 -8.881 4.520 1.00 0.00 C ATOM 1306 C TRP A 82 -7.003 -8.777 5.128 1.00 0.00 C ATOM 1307 O TRP A 82 -6.848 -8.677 6.344 1.00 0.00 O ATOM 1308 CB TRP A 82 -8.708 -10.306 4.032 1.00 0.00 C ATOM 1309 CG TRP A 82 -8.428 -11.341 5.062 1.00 0.00 C ATOM 1310 CD1 TRP A 82 -9.202 -11.661 6.123 1.00 0.00 C ATOM 1311 CD2 TRP A 82 -7.278 -12.184 5.130 1.00 0.00 C ATOM 1312 NE1 TRP A 82 -8.594 -12.639 6.862 1.00 0.00 N ATOM 1313 CE2 TRP A 82 -7.414 -12.981 6.270 1.00 0.00 C ATOM 1314 CE3 TRP A 82 -6.146 -12.327 4.335 1.00 0.00 C ATOM 1315 CZ2 TRP A 82 -6.458 -13.920 6.642 1.00 0.00 C ATOM 1316 CZ3 TRP A 82 -5.192 -13.258 4.696 1.00 0.00 C ATOM 1317 CH2 TRP A 82 -5.355 -14.045 5.843 1.00 0.00 C ATOM 0 H TRP A 82 -8.560 -8.356 2.516 1.00 0.00 H new ATOM 0 HA TRP A 82 -9.130 -8.642 5.303 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -9.754 -10.371 3.734 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -8.110 -10.513 3.144 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -10.157 -11.212 6.353 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -8.965 -13.048 7.720 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -6.015 -11.721 3.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -6.582 -14.527 7.527 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -4.309 -13.381 4.086 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -4.594 -14.766 6.102 1.00 0.00 H new ATOM 1328 N GLU A 83 -5.983 -8.771 4.274 1.00 0.00 N ATOM 1329 CA GLU A 83 -4.599 -8.669 4.732 1.00 0.00 C ATOM 1330 C GLU A 83 -4.339 -7.421 5.540 1.00 0.00 C ATOM 1331 O GLU A 83 -3.719 -7.494 6.568 1.00 0.00 O ATOM 1332 CB GLU A 83 -3.585 -8.766 3.594 1.00 0.00 C ATOM 1333 CG GLU A 83 -3.437 -10.151 3.010 1.00 0.00 C ATOM 1334 CD GLU A 83 -2.244 -10.269 2.066 1.00 0.00 C ATOM 1335 OE1 GLU A 83 -2.244 -9.648 0.981 1.00 0.00 O ATOM 1336 OE2 GLU A 83 -1.268 -10.968 2.402 1.00 0.00 O ATOM 0 H GLU A 83 -6.088 -8.835 3.261 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.461 -9.532 5.383 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.880 -8.079 2.801 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.614 -8.433 3.959 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.327 -10.872 3.820 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.348 -10.413 2.472 1.00 0.00 H new ATOM 1343 N ILE A 84 -4.887 -6.300 5.119 1.00 0.00 N ATOM 1344 CA ILE A 84 -4.618 -5.033 5.789 1.00 0.00 C ATOM 1345 C ILE A 84 -5.308 -4.990 7.165 1.00 0.00 C ATOM 1346 O ILE A 84 -4.897 -4.255 8.059 1.00 0.00 O ATOM 1347 CB ILE A 84 -5.036 -3.802 4.906 1.00 0.00 C ATOM 1348 CG1 ILE A 84 -4.477 -2.497 5.494 1.00 0.00 C ATOM 1349 CG2 ILE A 84 -6.555 -3.713 4.765 1.00 0.00 C ATOM 1350 CD1 ILE A 84 -4.721 -1.263 4.645 1.00 0.00 C ATOM 0 H ILE A 84 -5.519 -6.234 4.321 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.541 -4.964 5.942 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.611 -3.947 3.913 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.920 -2.338 6.477 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.403 -2.612 5.643 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.813 -2.852 4.149 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -6.931 -4.622 4.294 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -7.006 -3.602 5.751 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.292 -0.391 5.139 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.253 -1.394 3.669 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.793 -1.116 4.516 1.00 0.00 H new ATOM 1362 N ASP A 85 -6.318 -5.820 7.319 1.00 0.00 N ATOM 1363 CA ASP A 85 -7.111 -5.871 8.516 1.00 0.00 C ATOM 1364 C ASP A 85 -6.516 -6.877 9.497 1.00 0.00 C ATOM 1365 O ASP A 85 -6.362 -6.600 10.677 1.00 0.00 O ATOM 1366 CB ASP A 85 -8.526 -6.283 8.111 1.00 0.00 C ATOM 1367 CG ASP A 85 -9.505 -6.384 9.264 1.00 0.00 C ATOM 1368 OD1 ASP A 85 -9.976 -5.339 9.741 1.00 0.00 O ATOM 1369 OD2 ASP A 85 -9.825 -7.525 9.663 1.00 0.00 O ATOM 0 H ASP A 85 -6.610 -6.485 6.603 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.128 -4.900 9.011 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.908 -5.562 7.388 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.479 -7.247 7.605 1.00 0.00 H new ATOM 1374 N ASN A 86 -6.096 -8.024 8.974 1.00 0.00 N ATOM 1375 CA ASN A 86 -5.622 -9.120 9.841 1.00 0.00 C ATOM 1376 C ASN A 86 -4.145 -9.066 10.060 1.00 0.00 C ATOM 1377 O ASN A 86 -3.668 -9.134 11.191 1.00 0.00 O ATOM 1378 CB ASN A 86 -6.013 -10.522 9.314 1.00 0.00 C ATOM 1379 CG ASN A 86 -7.506 -10.798 9.347 1.00 0.00 C ATOM 1380 OD1 ASN A 86 -7.940 -11.935 9.566 1.00 0.00 O ATOM 1381 ND2 ASN A 86 -8.281 -9.795 9.102 1.00 0.00 N ATOM 0 H ASN A 86 -6.070 -8.227 7.975 1.00 0.00 H new ATOM 0 HA ASN A 86 -6.128 -8.965 10.794 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -5.657 -10.626 8.289 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -5.500 -11.279 9.908 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -9.293 -9.925 9.084 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -7.882 -8.873 8.927 1.00 0.00 H new ATOM 1388 N ASN A 87 -3.402 -8.951 8.996 1.00 0.00 N ATOM 1389 CA ASN A 87 -1.956 -8.913 9.128 1.00 0.00 C ATOM 1390 C ASN A 87 -1.384 -7.770 8.302 1.00 0.00 C ATOM 1391 O ASN A 87 -0.847 -7.981 7.229 1.00 0.00 O ATOM 1392 CB ASN A 87 -1.332 -10.252 8.712 1.00 0.00 C ATOM 1393 CG ASN A 87 0.153 -10.359 9.044 1.00 0.00 C ATOM 1394 OD1 ASN A 87 0.644 -9.776 10.014 1.00 0.00 O ATOM 1395 ND2 ASN A 87 0.877 -11.108 8.251 1.00 0.00 N ATOM 0 H ASN A 87 -3.755 -8.882 8.041 1.00 0.00 H new ATOM 0 HA ASN A 87 -1.709 -8.742 10.176 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -1.866 -11.063 9.207 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -1.467 -10.390 7.639 1.00 0.00 H new ATOM 0 HD21 ASN A 87 1.875 -11.222 8.428 1.00 0.00 H new ATOM 0 HD22 ASN A 87 0.443 -11.578 7.456 1.00 0.00 H new ATOM 1402 N PRO A 88 -1.518 -6.523 8.784 1.00 0.00 N ATOM 1403 CA PRO A 88 -1.118 -5.323 8.021 1.00 0.00 C ATOM 1404 C PRO A 88 0.393 -5.182 7.823 1.00 0.00 C ATOM 1405 O PRO A 88 0.849 -4.299 7.119 1.00 0.00 O ATOM 1406 CB PRO A 88 -1.655 -4.166 8.861 1.00 0.00 C ATOM 1407 CG PRO A 88 -1.761 -4.707 10.243 1.00 0.00 C ATOM 1408 CD PRO A 88 -2.105 -6.159 10.096 1.00 0.00 C ATOM 0 HA PRO A 88 -1.513 -5.363 7.006 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.984 -3.308 8.824 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -2.625 -3.829 8.494 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -0.823 -4.582 10.784 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.529 -4.180 10.810 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -1.682 -6.755 10.904 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.183 -6.320 10.112 1.00 0.00 H new ATOM 1416 N LYS A 89 1.150 -6.041 8.447 1.00 0.00 N ATOM 1417 CA LYS A 89 2.600 -6.005 8.360 1.00 0.00 C ATOM 1418 C LYS A 89 3.099 -7.096 7.411 1.00 0.00 C ATOM 1419 O LYS A 89 4.283 -7.439 7.409 1.00 0.00 O ATOM 1420 CB LYS A 89 3.207 -6.208 9.758 1.00 0.00 C ATOM 1421 CG LYS A 89 2.797 -7.518 10.411 1.00 0.00 C ATOM 1422 CD LYS A 89 3.443 -7.720 11.766 1.00 0.00 C ATOM 1423 CE LYS A 89 3.009 -9.047 12.372 1.00 0.00 C ATOM 1424 NZ LYS A 89 3.649 -9.294 13.689 1.00 0.00 N ATOM 0 H LYS A 89 0.787 -6.792 9.034 1.00 0.00 H new ATOM 0 HA LYS A 89 2.909 -5.035 7.971 1.00 0.00 H new ATOM 0 HB2 LYS A 89 4.294 -6.173 9.682 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.905 -5.381 10.400 1.00 0.00 H new ATOM 0 HG2 LYS A 89 1.713 -7.541 10.522 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.068 -8.346 9.756 1.00 0.00 H new ATOM 0 HD2 LYS A 89 4.528 -7.697 11.665 1.00 0.00 H new ATOM 0 HD3 LYS A 89 3.168 -6.902 12.432 1.00 0.00 H new ATOM 0 HE2 LYS A 89 1.925 -9.055 12.489 1.00 0.00 H new ATOM 0 HE3 LYS A 89 3.262 -9.857 11.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 3.326 -10.208 14.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 4.683 -9.312 13.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 3.387 -8.535 14.350 1.00 0.00 H new