USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 684 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 22 TYR OH : rot -129:sc= 0.415 USER MOD Set 1.2: A 102 HIS : no HE2:sc= -0.434 X(o=0.42,f=0.19) USER MOD Set 1.3: A 105 SER OG : rot -89:sc= 0.443 USER MOD Set 2.1: A 89 HIS : no HD1:sc= 1.01 K(o=2.4,f=-5.5!) USER MOD Set 2.2: A 119 THR OG1 : rot 82:sc= 1.39 USER MOD Set 3.1: A 64 MET CE :methyl 177:sc=-0.00288 (180deg=-0.00832) USER MOD Set 3.2: A 67 GLN : amide:sc= 1.12 K(o=1.1,f=-1.2) USER MOD Set 4.1: A 28 HIS : no HD1:sc= 1.04 K(o=2.3,f=-4.9!) USER MOD Set 4.2: A 40 SER OG : rot -100:sc= 1.28 USER MOD Single : A 21 LYS NZ :NH3+ -173:sc= 1.09 (180deg=1.04) USER MOD Single : A 29 SER OG : rot 79:sc= 0.0403 USER MOD Single : A 41 LYS NZ :NH3+ 136:sc= 2.34 (180deg=0.633) USER MOD Single : A 47 TYR OH : rot -152:sc= 1.28 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.889 X(o=-0.89,f=-0.6) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -72:sc= 0.613 USER MOD Single : A 65 GLN : amide:sc= 1.18 K(o=1.2,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 160:sc= 0 USER MOD Single : A 71 CYS SG : rot -114:sc= -2.01 USER MOD Single : A 73 CYS SG : rot 131:sc= 1.12 USER MOD Single : A 91 TYR OH : rot 180:sc= 0.504 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 110:sc= 0.361 USER MOD Single : A 95 MET CE :methyl -171:sc= 0 (180deg=-0.0788) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.215 X(o=-0.22,f=-0.22) USER MOD Single : A 106 THR OG1 : rot -158:sc= 0.192 USER MOD Single : A 108 LYS NZ :NH3+ -179:sc= 2.17 (180deg=2.1) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N ALA A 4 -7.836 -8.156 16.489 1.00 0.00 N ATOM 47 CA ALA A 4 -7.315 -8.513 15.174 1.00 0.00 C ATOM 48 C ALA A 4 -5.976 -9.263 15.301 1.00 0.00 C ATOM 49 O ALA A 4 -5.505 -9.551 16.402 1.00 0.00 O ATOM 50 CB ALA A 4 -7.171 -7.234 14.336 1.00 0.00 C ATOM 0 HA ALA A 4 -8.008 -9.188 14.673 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.782 -7.487 13.350 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -8.145 -6.757 14.230 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.483 -6.549 14.832 1.00 0.00 H new ATOM 56 N ASP A 5 -5.337 -9.545 14.167 1.00 0.00 N ATOM 57 CA ASP A 5 -3.973 -10.059 14.058 1.00 0.00 C ATOM 58 C ASP A 5 -3.437 -9.594 12.704 1.00 0.00 C ATOM 59 O ASP A 5 -4.237 -9.375 11.789 1.00 0.00 O ATOM 60 CB ASP A 5 -3.968 -11.592 14.131 1.00 0.00 C ATOM 61 CG ASP A 5 -2.543 -12.142 13.972 1.00 0.00 C ATOM 62 OD1 ASP A 5 -1.807 -12.209 14.981 1.00 0.00 O ATOM 63 OD2 ASP A 5 -2.153 -12.483 12.835 1.00 0.00 O ATOM 0 H ASP A 5 -5.777 -9.415 13.256 1.00 0.00 H new ATOM 0 HA ASP A 5 -3.353 -9.692 14.876 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -4.383 -11.916 15.085 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -4.609 -12.000 13.349 1.00 0.00 H new ATOM 68 N LEU A 6 -2.115 -9.449 12.543 1.00 0.00 N ATOM 69 CA LEU A 6 -1.510 -8.992 11.295 1.00 0.00 C ATOM 70 C LEU A 6 -1.968 -9.826 10.097 1.00 0.00 C ATOM 71 O LEU A 6 -2.176 -9.265 9.020 1.00 0.00 O ATOM 72 CB LEU A 6 0.026 -9.019 11.378 1.00 0.00 C ATOM 73 CG LEU A 6 0.688 -8.022 12.350 1.00 0.00 C ATOM 74 CD1 LEU A 6 2.210 -8.138 12.216 1.00 0.00 C ATOM 75 CD2 LEU A 6 0.281 -6.567 12.092 1.00 0.00 C ATOM 0 H LEU A 6 -1.437 -9.647 13.279 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.844 -7.965 11.148 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.333 -10.025 11.663 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.423 -8.835 10.380 1.00 0.00 H new ATOM 0 HG LEU A 6 0.350 -8.279 13.354 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.690 -7.437 12.899 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.520 -9.154 12.461 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.504 -7.906 11.192 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.781 -5.917 12.810 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.571 -6.282 11.081 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.799 -6.466 12.202 1.00 0.00 H new ATOM 87 N ALA A 7 -2.160 -11.139 10.260 1.00 0.00 N ATOM 88 CA ALA A 7 -2.584 -12.020 9.180 1.00 0.00 C ATOM 89 C ALA A 7 -3.986 -11.676 8.657 1.00 0.00 C ATOM 90 O ALA A 7 -4.294 -11.979 7.504 1.00 0.00 O ATOM 91 CB ALA A 7 -2.544 -13.476 9.656 1.00 0.00 C ATOM 0 H ALA A 7 -2.024 -11.617 11.151 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.890 -11.879 8.352 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.862 -14.132 8.846 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.528 -13.733 9.954 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.214 -13.599 10.507 1.00 0.00 H new ATOM 97 N LEU A 8 -4.837 -11.059 9.486 1.00 0.00 N ATOM 98 CA LEU A 8 -6.210 -10.716 9.120 1.00 0.00 C ATOM 99 C LEU A 8 -6.271 -9.391 8.356 1.00 0.00 C ATOM 100 O LEU A 8 -7.264 -9.140 7.671 1.00 0.00 O ATOM 101 CB LEU A 8 -7.102 -10.632 10.375 1.00 0.00 C ATOM 102 CG LEU A 8 -7.196 -11.933 11.198 1.00 0.00 C ATOM 103 CD1 LEU A 8 -8.071 -11.700 12.435 1.00 0.00 C ATOM 104 CD2 LEU A 8 -7.770 -13.104 10.390 1.00 0.00 C ATOM 0 H LEU A 8 -4.587 -10.783 10.436 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.580 -11.507 8.468 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.722 -9.839 11.019 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -8.107 -10.340 10.069 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.180 -12.200 11.489 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.135 -12.621 13.014 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.630 -10.915 13.050 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -9.070 -11.398 12.122 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.813 -13.993 11.019 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.774 -12.852 10.048 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.131 -13.299 9.529 1.00 0.00 H new ATOM 116 N ILE A 9 -5.246 -8.536 8.466 1.00 0.00 N ATOM 117 CA ILE A 9 -5.212 -7.252 7.769 1.00 0.00 C ATOM 118 C ILE A 9 -5.100 -7.546 6.263 1.00 0.00 C ATOM 119 O ILE A 9 -4.219 -8.329 5.889 1.00 0.00 O ATOM 120 CB ILE A 9 -4.029 -6.371 8.246 1.00 0.00 C ATOM 121 CG1 ILE A 9 -3.946 -6.284 9.788 1.00 0.00 C ATOM 122 CG2 ILE A 9 -4.169 -4.961 7.644 1.00 0.00 C ATOM 123 CD1 ILE A 9 -2.728 -5.529 10.330 1.00 0.00 C ATOM 0 H ILE A 9 -4.422 -8.717 9.039 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.121 -6.691 7.986 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.106 -6.837 7.902 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.849 -5.799 10.159 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.938 -7.296 10.194 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.338 -4.339 7.978 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.159 -5.027 6.556 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.109 -4.517 7.972 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.759 -5.522 11.420 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.816 -6.023 9.996 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.741 -4.504 9.960 1.00 0.00 H new ATOM 135 N PRO A 10 -5.922 -6.923 5.395 1.00 0.00 N ATOM 136 CA PRO A 10 -5.743 -6.980 3.949 1.00 0.00 C ATOM 137 C PRO A 10 -4.300 -6.643 3.571 1.00 0.00 C ATOM 138 O PRO A 10 -3.813 -5.552 3.877 1.00 0.00 O ATOM 139 CB PRO A 10 -6.742 -5.976 3.364 1.00 0.00 C ATOM 140 CG PRO A 10 -7.849 -5.931 4.414 1.00 0.00 C ATOM 141 CD PRO A 10 -7.082 -6.107 5.724 1.00 0.00 C ATOM 0 HA PRO A 10 -5.927 -7.979 3.553 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.288 -4.996 3.216 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.120 -6.302 2.395 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.393 -4.987 4.388 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.581 -6.725 4.264 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.779 -5.143 6.133 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.701 -6.593 6.478 1.00 0.00 H new ATOM 149 N ASP A 11 -3.606 -7.578 2.927 1.00 0.00 N ATOM 150 CA ASP A 11 -2.189 -7.448 2.583 1.00 0.00 C ATOM 151 C ASP A 11 -1.983 -6.418 1.467 1.00 0.00 C ATOM 152 O ASP A 11 -1.108 -5.555 1.545 1.00 0.00 O ATOM 153 CB ASP A 11 -1.681 -8.832 2.171 1.00 0.00 C ATOM 154 CG ASP A 11 -0.192 -8.829 1.836 1.00 0.00 C ATOM 155 OD1 ASP A 11 0.616 -8.440 2.707 1.00 0.00 O ATOM 156 OD2 ASP A 11 0.161 -9.276 0.723 1.00 0.00 O ATOM 0 H ASP A 11 -4.017 -8.461 2.624 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.624 -7.086 3.442 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.868 -9.540 2.979 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.245 -9.180 1.305 1.00 0.00 H new ATOM 161 N VAL A 12 -2.885 -6.418 0.487 1.00 0.00 N ATOM 162 CA VAL A 12 -2.979 -5.439 -0.589 1.00 0.00 C ATOM 163 C VAL A 12 -4.465 -5.097 -0.682 1.00 0.00 C ATOM 164 O VAL A 12 -5.308 -5.991 -0.565 1.00 0.00 O ATOM 165 CB VAL A 12 -2.447 -6.035 -1.911 1.00 0.00 C ATOM 166 CG1 VAL A 12 -2.511 -5.033 -3.074 1.00 0.00 C ATOM 167 CG2 VAL A 12 -0.995 -6.519 -1.788 1.00 0.00 C ATOM 0 H VAL A 12 -3.605 -7.138 0.421 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.378 -4.550 -0.399 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.102 -6.881 -2.120 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.126 -5.502 -3.980 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.545 -4.728 -3.235 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.908 -4.157 -2.834 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.666 -6.930 -2.743 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.354 -5.681 -1.513 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.932 -7.290 -1.021 1.00 0.00 H new ATOM 177 N ASP A 13 -4.792 -3.821 -0.883 1.00 0.00 N ATOM 178 CA ASP A 13 -6.153 -3.403 -1.185 1.00 0.00 C ATOM 179 C ASP A 13 -6.074 -2.125 -2.005 1.00 0.00 C ATOM 180 O ASP A 13 -5.443 -1.152 -1.588 1.00 0.00 O ATOM 181 CB ASP A 13 -6.984 -3.185 0.086 1.00 0.00 C ATOM 182 CG ASP A 13 -8.451 -2.938 -0.291 1.00 0.00 C ATOM 183 OD1 ASP A 13 -9.147 -3.903 -0.679 1.00 0.00 O ATOM 184 OD2 ASP A 13 -8.915 -1.782 -0.194 1.00 0.00 O ATOM 0 H ASP A 13 -4.121 -3.054 -0.841 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.657 -4.190 -1.747 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.907 -4.057 0.736 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.594 -2.335 0.646 1.00 0.00 H new ATOM 189 N ILE A 14 -6.674 -2.169 -3.190 1.00 0.00 N ATOM 190 CA ILE A 14 -6.803 -1.087 -4.156 1.00 0.00 C ATOM 191 C ILE A 14 -8.175 -1.285 -4.822 1.00 0.00 C ATOM 192 O ILE A 14 -8.789 -2.348 -4.670 1.00 0.00 O ATOM 193 CB ILE A 14 -5.638 -1.097 -5.186 1.00 0.00 C ATOM 194 CG1 ILE A 14 -5.570 -2.408 -6.009 1.00 0.00 C ATOM 195 CG2 ILE A 14 -4.284 -0.810 -4.508 1.00 0.00 C ATOM 196 CD1 ILE A 14 -4.522 -2.385 -7.130 1.00 0.00 C ATOM 0 H ILE A 14 -7.115 -3.026 -3.524 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.743 -0.110 -3.676 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.851 -0.292 -5.889 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.350 -3.237 -5.336 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.550 -2.603 -6.445 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.492 -0.825 -5.257 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.316 0.170 -4.032 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.085 -1.572 -3.755 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.535 -3.337 -7.660 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.752 -1.579 -7.827 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.533 -2.222 -6.701 1.00 0.00 H new ATOM 266 N PHE A 20 -3.258 7.154 -9.772 1.00 0.00 N ATOM 267 CA PHE A 20 -3.704 7.529 -8.426 1.00 0.00 C ATOM 268 C PHE A 20 -2.611 7.246 -7.394 1.00 0.00 C ATOM 269 O PHE A 20 -1.794 6.344 -7.589 1.00 0.00 O ATOM 270 CB PHE A 20 -4.988 6.766 -8.060 1.00 0.00 C ATOM 271 CG PHE A 20 -4.925 5.254 -8.226 1.00 0.00 C ATOM 272 CD1 PHE A 20 -5.232 4.662 -9.468 1.00 0.00 C ATOM 273 CD2 PHE A 20 -4.552 4.436 -7.143 1.00 0.00 C ATOM 274 CE1 PHE A 20 -5.152 3.268 -9.624 1.00 0.00 C ATOM 275 CE2 PHE A 20 -4.496 3.039 -7.294 1.00 0.00 C ATOM 276 CZ PHE A 20 -4.793 2.454 -8.536 1.00 0.00 C ATOM 0 HA PHE A 20 -3.914 8.599 -8.420 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.239 6.989 -7.023 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.803 7.147 -8.675 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.529 5.281 -10.301 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.308 4.884 -6.191 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.367 2.821 -10.583 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.225 2.416 -6.455 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.746 1.382 -8.655 1.00 0.00 H new ATOM 286 N LYS A 21 -2.578 8.015 -6.297 1.00 0.00 N ATOM 287 CA LYS A 21 -1.556 7.858 -5.267 1.00 0.00 C ATOM 288 C LYS A 21 -1.708 6.512 -4.563 1.00 0.00 C ATOM 289 O LYS A 21 -2.806 5.957 -4.470 1.00 0.00 O ATOM 290 CB LYS A 21 -1.605 8.994 -4.230 1.00 0.00 C ATOM 291 CG LYS A 21 -0.917 10.297 -4.664 1.00 0.00 C ATOM 292 CD LYS A 21 -1.742 11.178 -5.608 1.00 0.00 C ATOM 293 CE LYS A 21 -0.964 12.475 -5.881 1.00 0.00 C ATOM 294 NZ LYS A 21 -1.809 13.524 -6.499 1.00 0.00 N ATOM 0 H LYS A 21 -3.254 8.754 -6.105 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.588 7.900 -5.767 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.648 9.211 -3.999 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.140 8.645 -3.308 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.671 10.875 -3.773 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.025 10.048 -5.153 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.937 10.651 -6.542 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.710 11.405 -5.162 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.550 12.851 -4.945 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.121 12.258 -6.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.215 14.333 -6.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.278 13.139 -7.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.528 13.837 -5.816 1.00 0.00 H new ATOM 308 N TYR A 22 -0.604 6.033 -4.003 1.00 0.00 N ATOM 309 CA TYR A 22 -0.533 4.848 -3.169 1.00 0.00 C ATOM 310 C TYR A 22 0.467 5.142 -2.037 1.00 0.00 C ATOM 311 O TYR A 22 1.274 6.072 -2.145 1.00 0.00 O ATOM 312 CB TYR A 22 -0.158 3.624 -4.035 1.00 0.00 C ATOM 313 CG TYR A 22 1.215 3.061 -3.745 1.00 0.00 C ATOM 314 CD1 TYR A 22 2.341 3.791 -4.149 1.00 0.00 C ATOM 315 CD2 TYR A 22 1.366 1.924 -2.930 1.00 0.00 C ATOM 316 CE1 TYR A 22 3.617 3.428 -3.703 1.00 0.00 C ATOM 317 CE2 TYR A 22 2.647 1.532 -2.509 1.00 0.00 C ATOM 318 CZ TYR A 22 3.777 2.281 -2.897 1.00 0.00 C ATOM 319 OH TYR A 22 5.012 1.880 -2.501 1.00 0.00 O ATOM 0 H TYR A 22 0.304 6.482 -4.125 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.493 4.602 -2.714 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.900 2.841 -3.880 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.208 3.907 -5.086 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.223 4.638 -4.808 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.499 1.354 -2.629 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.476 4.024 -3.975 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.767 0.657 -1.888 1.00 0.00 H new ATOM 0 HH TYR A 22 5.130 0.930 -2.709 1.00 0.00 H new ATOM 329 N VAL A 23 0.448 4.342 -0.972 1.00 0.00 N ATOM 330 CA VAL A 23 1.435 4.392 0.101 1.00 0.00 C ATOM 331 C VAL A 23 1.812 2.973 0.511 1.00 0.00 C ATOM 332 O VAL A 23 1.036 2.022 0.345 1.00 0.00 O ATOM 333 CB VAL A 23 0.945 5.216 1.316 1.00 0.00 C ATOM 334 CG1 VAL A 23 0.915 6.723 1.028 1.00 0.00 C ATOM 335 CG2 VAL A 23 -0.427 4.752 1.824 1.00 0.00 C ATOM 0 H VAL A 23 -0.267 3.629 -0.830 1.00 0.00 H new ATOM 0 HA VAL A 23 2.319 4.905 -0.277 1.00 0.00 H new ATOM 0 HB VAL A 23 1.677 5.035 2.103 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.564 7.255 1.912 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.918 7.065 0.773 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.241 6.921 0.194 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.725 5.362 2.677 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.164 4.857 1.028 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.368 3.707 2.129 1.00 0.00 H new ATOM 345 N LEU A 24 3.003 2.861 1.095 1.00 0.00 N ATOM 346 CA LEU A 24 3.544 1.633 1.644 1.00 0.00 C ATOM 347 C LEU A 24 3.488 1.836 3.154 1.00 0.00 C ATOM 348 O LEU A 24 4.105 2.786 3.638 1.00 0.00 O ATOM 349 CB LEU A 24 4.992 1.461 1.140 1.00 0.00 C ATOM 350 CG LEU A 24 5.537 0.022 1.158 1.00 0.00 C ATOM 351 CD1 LEU A 24 5.298 -0.715 2.478 1.00 0.00 C ATOM 352 CD2 LEU A 24 4.940 -0.773 -0.004 1.00 0.00 C ATOM 0 H LEU A 24 3.635 3.654 1.199 1.00 0.00 H new ATOM 0 HA LEU A 24 2.998 0.736 1.350 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.050 1.839 0.119 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.646 2.085 1.749 1.00 0.00 H new ATOM 0 HG LEU A 24 6.619 0.102 1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.710 -1.722 2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.786 -0.175 3.290 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.227 -0.773 2.673 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.329 -1.791 0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.855 -0.798 0.092 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.210 -0.298 -0.947 1.00 0.00 H new ATOM 364 N ILE A 25 2.753 1.015 3.907 1.00 0.00 N ATOM 365 CA ILE A 25 2.540 1.243 5.337 1.00 0.00 C ATOM 366 C ILE A 25 3.047 0.027 6.098 1.00 0.00 C ATOM 367 O ILE A 25 2.531 -1.080 5.940 1.00 0.00 O ATOM 368 CB ILE A 25 1.058 1.565 5.658 1.00 0.00 C ATOM 369 CG1 ILE A 25 0.549 2.791 4.865 1.00 0.00 C ATOM 370 CG2 ILE A 25 0.872 1.794 7.173 1.00 0.00 C ATOM 371 CD1 ILE A 25 -0.932 3.118 5.118 1.00 0.00 C ATOM 0 H ILE A 25 2.292 0.180 3.546 1.00 0.00 H new ATOM 0 HA ILE A 25 3.101 2.122 5.654 1.00 0.00 H new ATOM 0 HB ILE A 25 0.464 0.704 5.351 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.154 3.659 5.127 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.696 2.610 3.800 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.174 2.019 7.381 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.165 0.895 7.716 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.494 2.630 7.494 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.218 3.989 4.529 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.547 2.266 4.829 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.082 3.331 6.176 1.00 0.00 H new ATOM 383 N ARG A 26 4.081 0.229 6.914 1.00 0.00 N ATOM 384 CA ARG A 26 4.508 -0.770 7.876 1.00 0.00 C ATOM 385 C ARG A 26 3.475 -0.735 8.992 1.00 0.00 C ATOM 386 O ARG A 26 3.050 0.351 9.388 1.00 0.00 O ATOM 387 CB ARG A 26 5.907 -0.428 8.402 1.00 0.00 C ATOM 388 CG ARG A 26 6.397 -1.447 9.445 1.00 0.00 C ATOM 389 CD ARG A 26 7.915 -1.375 9.640 1.00 0.00 C ATOM 390 NE ARG A 26 8.608 -2.017 8.515 1.00 0.00 N ATOM 391 CZ ARG A 26 9.854 -1.810 8.086 1.00 0.00 C ATOM 392 NH1 ARG A 26 10.648 -0.905 8.653 1.00 0.00 N ATOM 393 NH2 ARG A 26 10.270 -2.548 7.068 1.00 0.00 N ATOM 0 H ARG A 26 4.638 1.084 6.923 1.00 0.00 H new ATOM 0 HA ARG A 26 4.573 -1.765 7.435 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.609 -0.396 7.569 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.894 0.567 8.846 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.899 -1.261 10.397 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.118 -2.453 9.130 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.228 -0.334 9.722 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.192 -1.866 10.573 1.00 0.00 H new ATOM 0 HE ARG A 26 8.068 -2.709 7.996 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.308 -0.348 9.437 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.597 -0.768 8.304 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.645 -3.237 6.649 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.215 -2.427 6.703 1.00 0.00 H new ATOM 407 N VAL A 27 3.114 -1.892 9.523 1.00 0.00 N ATOM 408 CA VAL A 27 2.164 -2.048 10.608 1.00 0.00 C ATOM 409 C VAL A 27 2.779 -3.046 11.592 1.00 0.00 C ATOM 410 O VAL A 27 3.530 -3.935 11.184 1.00 0.00 O ATOM 411 CB VAL A 27 0.780 -2.428 10.029 1.00 0.00 C ATOM 412 CG1 VAL A 27 0.794 -3.659 9.106 1.00 0.00 C ATOM 413 CG2 VAL A 27 -0.260 -2.639 11.134 1.00 0.00 C ATOM 0 H VAL A 27 3.491 -2.782 9.196 1.00 0.00 H new ATOM 0 HA VAL A 27 1.975 -1.130 11.165 1.00 0.00 H new ATOM 0 HB VAL A 27 0.502 -1.571 9.416 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.216 -3.855 8.745 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.452 -3.470 8.258 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.155 -4.525 9.660 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.218 -2.904 10.686 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.068 -3.443 11.793 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.371 -1.720 11.710 1.00 0.00 H new ATOM 423 N HIS A 28 2.491 -2.888 12.882 1.00 0.00 N ATOM 424 CA HIS A 28 3.136 -3.597 13.979 1.00 0.00 C ATOM 425 C HIS A 28 2.056 -4.235 14.849 1.00 0.00 C ATOM 426 O HIS A 28 1.000 -3.628 15.065 1.00 0.00 O ATOM 427 CB HIS A 28 3.931 -2.599 14.834 1.00 0.00 C ATOM 428 CG HIS A 28 4.953 -1.783 14.083 1.00 0.00 C ATOM 429 ND1 HIS A 28 6.163 -2.230 13.607 1.00 0.00 N ATOM 430 CD2 HIS A 28 4.887 -0.441 13.815 1.00 0.00 C ATOM 431 CE1 HIS A 28 6.819 -1.180 13.088 1.00 0.00 C ATOM 432 NE2 HIS A 28 6.076 -0.062 13.178 1.00 0.00 N ATOM 0 H HIS A 28 1.774 -2.237 13.202 1.00 0.00 H new ATOM 0 HA HIS A 28 3.807 -4.359 13.583 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.229 -1.919 15.317 1.00 0.00 H new ATOM 0 HB3 HIS A 28 4.439 -3.148 15.627 1.00 0.00 H new ATOM 0 HD2 HIS A 28 4.061 0.212 14.054 1.00 0.00 H new ATOM 0 HE1 HIS A 28 7.808 -1.226 12.657 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.327 0.871 12.850 1.00 0.00 H new ATOM 440 N SER A 29 2.328 -5.430 15.375 1.00 0.00 N ATOM 441 CA SER A 29 1.429 -6.137 16.270 1.00 0.00 C ATOM 442 C SER A 29 1.199 -5.349 17.566 1.00 0.00 C ATOM 443 O SER A 29 2.068 -5.299 18.440 1.00 0.00 O ATOM 444 CB SER A 29 1.983 -7.528 16.593 1.00 0.00 C ATOM 445 OG SER A 29 2.185 -8.284 15.415 1.00 0.00 O ATOM 0 H SER A 29 3.193 -5.936 15.185 1.00 0.00 H new ATOM 0 HA SER A 29 0.470 -6.244 15.763 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.925 -7.431 17.132 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.292 -8.054 17.252 1.00 0.00 H new ATOM 0 HG SER A 29 3.014 -7.995 14.979 1.00 0.00 H new ATOM 451 N ALA A 30 0.019 -4.738 17.681 1.00 0.00 N ATOM 452 CA ALA A 30 -0.508 -4.135 18.898 1.00 0.00 C ATOM 453 C ALA A 30 -2.057 -4.211 18.957 1.00 0.00 C ATOM 454 O ALA A 30 -2.655 -3.343 19.599 1.00 0.00 O ATOM 455 CB ALA A 30 0.013 -2.690 19.010 1.00 0.00 C ATOM 0 H ALA A 30 -0.621 -4.648 16.892 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.154 -4.700 19.760 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.377 -2.232 19.919 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.102 -2.698 19.047 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.317 -2.116 18.144 1.00 0.00 H new ATOM 461 N PRO A 31 -2.761 -5.162 18.294 1.00 0.00 N ATOM 462 CA PRO A 31 -4.213 -5.089 18.183 1.00 0.00 C ATOM 463 C PRO A 31 -4.875 -5.126 19.565 1.00 0.00 C ATOM 464 O PRO A 31 -4.508 -5.925 20.430 1.00 0.00 O ATOM 465 CB PRO A 31 -4.647 -6.242 17.279 1.00 0.00 C ATOM 466 CG PRO A 31 -3.521 -7.259 17.416 1.00 0.00 C ATOM 467 CD PRO A 31 -2.292 -6.392 17.662 1.00 0.00 C ATOM 0 HA PRO A 31 -4.532 -4.144 17.743 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.603 -6.659 17.595 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.767 -5.916 16.246 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.699 -7.947 18.242 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.413 -7.863 16.515 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.578 -6.908 18.304 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.779 -6.174 16.725 1.00 0.00 H new ATOM 561 N GLU A 39 5.468 -8.822 16.104 1.00 0.00 N ATOM 562 CA GLU A 39 5.901 -8.862 14.716 1.00 0.00 C ATOM 563 C GLU A 39 5.505 -7.555 14.003 1.00 0.00 C ATOM 564 O GLU A 39 4.848 -6.680 14.581 1.00 0.00 O ATOM 565 CB GLU A 39 5.287 -10.095 14.021 1.00 0.00 C ATOM 566 CG GLU A 39 5.693 -11.443 14.643 1.00 0.00 C ATOM 567 CD GLU A 39 7.214 -11.685 14.611 1.00 0.00 C ATOM 568 OE1 GLU A 39 7.780 -11.898 13.515 1.00 0.00 O ATOM 569 OE2 GLU A 39 7.857 -11.694 15.684 1.00 0.00 O ATOM 0 HA GLU A 39 6.986 -8.949 14.669 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.201 -10.009 14.048 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.581 -10.090 12.972 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.346 -11.480 15.676 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.191 -12.250 14.109 1.00 0.00 H new ATOM 576 N SER A 40 5.876 -7.449 12.726 1.00 0.00 N ATOM 577 CA SER A 40 5.510 -6.352 11.842 1.00 0.00 C ATOM 578 C SER A 40 5.204 -6.910 10.446 1.00 0.00 C ATOM 579 O SER A 40 5.593 -8.034 10.113 1.00 0.00 O ATOM 580 CB SER A 40 6.634 -5.306 11.778 1.00 0.00 C ATOM 581 OG SER A 40 7.074 -4.896 13.066 1.00 0.00 O ATOM 0 H SER A 40 6.459 -8.150 12.268 1.00 0.00 H new ATOM 0 HA SER A 40 4.621 -5.857 12.233 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.478 -5.718 11.224 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.284 -4.435 11.224 1.00 0.00 H new ATOM 0 HG SER A 40 6.657 -4.040 13.297 1.00 0.00 H new ATOM 587 N LYS A 41 4.496 -6.125 9.637 1.00 0.00 N ATOM 588 CA LYS A 41 4.013 -6.452 8.297 1.00 0.00 C ATOM 589 C LYS A 41 4.062 -5.163 7.475 1.00 0.00 C ATOM 590 O LYS A 41 4.160 -4.075 8.042 1.00 0.00 O ATOM 591 CB LYS A 41 2.597 -7.059 8.445 1.00 0.00 C ATOM 592 CG LYS A 41 1.699 -7.072 7.196 1.00 0.00 C ATOM 593 CD LYS A 41 0.410 -7.852 7.459 1.00 0.00 C ATOM 594 CE LYS A 41 -0.492 -7.908 6.217 1.00 0.00 C ATOM 595 NZ LYS A 41 -1.520 -8.974 6.326 1.00 0.00 N ATOM 0 H LYS A 41 4.227 -5.182 9.918 1.00 0.00 H new ATOM 0 HA LYS A 41 4.619 -7.192 7.775 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.705 -8.086 8.793 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.075 -6.510 9.229 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.457 -6.049 6.906 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.237 -7.521 6.361 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.657 -8.866 7.773 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.134 -7.387 8.281 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.982 -6.944 6.081 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.120 -8.083 5.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.438 -8.605 6.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.246 -9.782 5.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.596 -9.283 7.316 1.00 0.00 H new ATOM 609 N GLU A 42 3.960 -5.262 6.154 1.00 0.00 N ATOM 610 CA GLU A 42 3.863 -4.123 5.255 1.00 0.00 C ATOM 611 C GLU A 42 2.608 -4.327 4.416 1.00 0.00 C ATOM 612 O GLU A 42 2.517 -5.319 3.692 1.00 0.00 O ATOM 613 CB GLU A 42 5.098 -4.022 4.343 1.00 0.00 C ATOM 614 CG GLU A 42 6.369 -3.490 5.025 1.00 0.00 C ATOM 615 CD GLU A 42 7.147 -4.505 5.885 1.00 0.00 C ATOM 616 OE1 GLU A 42 7.051 -5.737 5.680 1.00 0.00 O ATOM 617 OE2 GLU A 42 7.936 -4.044 6.741 1.00 0.00 O ATOM 0 H GLU A 42 3.942 -6.159 5.669 1.00 0.00 H new ATOM 0 HA GLU A 42 3.813 -3.196 5.827 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.310 -5.010 3.934 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.857 -3.373 3.501 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.038 -3.107 4.254 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.093 -2.645 5.656 1.00 0.00 H new ATOM 624 N ILE A 43 1.657 -3.400 4.505 1.00 0.00 N ATOM 625 CA ILE A 43 0.447 -3.383 3.690 1.00 0.00 C ATOM 626 C ILE A 43 0.562 -2.311 2.599 1.00 0.00 C ATOM 627 O ILE A 43 1.285 -1.320 2.747 1.00 0.00 O ATOM 628 CB ILE A 43 -0.813 -3.209 4.573 1.00 0.00 C ATOM 629 CG1 ILE A 43 -0.823 -1.901 5.399 1.00 0.00 C ATOM 630 CG2 ILE A 43 -0.970 -4.450 5.462 1.00 0.00 C ATOM 631 CD1 ILE A 43 -2.088 -1.668 6.239 1.00 0.00 C ATOM 0 H ILE A 43 1.709 -2.622 5.162 1.00 0.00 H new ATOM 0 HA ILE A 43 0.338 -4.344 3.188 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.673 -3.117 3.910 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.040 -1.904 6.064 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.698 -1.059 4.718 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.855 -4.339 6.089 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.078 -5.335 4.835 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.089 -4.559 6.094 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.997 -0.726 6.780 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.958 -1.627 5.583 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.208 -2.485 6.951 1.00 0.00 H new ATOM 643 N VAL A 44 -0.171 -2.519 1.504 1.00 0.00 N ATOM 644 CA VAL A 44 -0.106 -1.711 0.287 1.00 0.00 C ATOM 645 C VAL A 44 -1.510 -1.148 0.046 1.00 0.00 C ATOM 646 O VAL A 44 -2.468 -1.930 -0.013 1.00 0.00 O ATOM 647 CB VAL A 44 0.382 -2.605 -0.881 1.00 0.00 C ATOM 648 CG1 VAL A 44 0.563 -1.814 -2.183 1.00 0.00 C ATOM 649 CG2 VAL A 44 1.705 -3.328 -0.568 1.00 0.00 C ATOM 0 H VAL A 44 -0.848 -3.279 1.439 1.00 0.00 H new ATOM 0 HA VAL A 44 0.597 -0.882 0.373 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.406 -3.347 -1.010 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.906 -2.484 -2.971 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.389 -1.369 -2.474 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.300 -1.026 -2.030 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.997 -3.939 -1.422 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.483 -2.592 -0.366 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.573 -3.966 0.306 1.00 0.00 H new ATOM 659 N ARG A 45 -1.650 0.179 -0.067 1.00 0.00 N ATOM 660 CA ARG A 45 -2.931 0.886 -0.232 1.00 0.00 C ATOM 661 C ARG A 45 -2.789 1.889 -1.370 1.00 0.00 C ATOM 662 O ARG A 45 -1.717 2.477 -1.504 1.00 0.00 O ATOM 663 CB ARG A 45 -3.274 1.705 1.032 1.00 0.00 C ATOM 664 CG ARG A 45 -3.427 0.956 2.360 1.00 0.00 C ATOM 665 CD ARG A 45 -4.674 0.059 2.438 1.00 0.00 C ATOM 666 NE ARG A 45 -4.368 -1.281 1.930 1.00 0.00 N ATOM 667 CZ ARG A 45 -4.307 -2.413 2.634 1.00 0.00 C ATOM 668 NH1 ARG A 45 -4.866 -2.543 3.833 1.00 0.00 N ATOM 669 NH2 ARG A 45 -3.636 -3.427 2.116 1.00 0.00 N ATOM 0 H ARG A 45 -0.851 0.812 -0.046 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.707 0.145 -0.424 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.497 2.458 1.162 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.205 2.238 0.841 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.541 0.342 2.522 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.464 1.682 3.172 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.020 -0.006 3.470 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.484 0.499 1.857 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.181 -1.357 0.930 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.367 -1.758 4.250 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -4.794 -3.428 4.336 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.186 -3.329 1.206 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.568 -4.308 2.626 1.00 0.00 H new ATOM 683 N GLY A 46 -3.858 2.172 -2.113 1.00 0.00 N ATOM 684 CA GLY A 46 -3.885 3.265 -3.076 1.00 0.00 C ATOM 685 C GLY A 46 -5.236 3.341 -3.771 1.00 0.00 C ATOM 686 O GLY A 46 -5.772 2.310 -4.181 1.00 0.00 O ATOM 0 H GLY A 46 -4.731 1.647 -2.062 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.679 4.207 -2.569 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.098 3.123 -3.816 1.00 0.00 H new ATOM 690 N TYR A 47 -5.784 4.553 -3.895 1.00 0.00 N ATOM 691 CA TYR A 47 -7.109 4.799 -4.461 1.00 0.00 C ATOM 692 C TYR A 47 -7.158 6.237 -4.970 1.00 0.00 C ATOM 693 O TYR A 47 -6.494 7.114 -4.413 1.00 0.00 O ATOM 694 CB TYR A 47 -8.214 4.637 -3.398 1.00 0.00 C ATOM 695 CG TYR A 47 -8.061 3.479 -2.428 1.00 0.00 C ATOM 696 CD1 TYR A 47 -7.260 3.653 -1.285 1.00 0.00 C ATOM 697 CD2 TYR A 47 -8.715 2.252 -2.647 1.00 0.00 C ATOM 698 CE1 TYR A 47 -7.116 2.615 -0.351 1.00 0.00 C ATOM 699 CE2 TYR A 47 -8.577 1.206 -1.717 1.00 0.00 C ATOM 700 CZ TYR A 47 -7.782 1.388 -0.559 1.00 0.00 C ATOM 701 OH TYR A 47 -7.670 0.411 0.377 1.00 0.00 O ATOM 0 H TYR A 47 -5.308 5.405 -3.599 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.279 4.079 -5.261 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.269 5.560 -2.821 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.168 4.526 -3.913 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.752 4.592 -1.125 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.323 2.114 -3.529 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.498 2.755 0.524 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.077 0.264 -1.886 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.771 -0.465 -0.051 1.00 0.00 H new ATOM 711 N LYS A 48 -7.991 6.510 -5.976 1.00 0.00 N ATOM 712 CA LYS A 48 -8.144 7.846 -6.553 1.00 0.00 C ATOM 713 C LYS A 48 -8.697 8.867 -5.558 1.00 0.00 C ATOM 714 O LYS A 48 -8.412 10.054 -5.712 1.00 0.00 O ATOM 715 CB LYS A 48 -8.980 7.782 -7.845 1.00 0.00 C ATOM 716 CG LYS A 48 -10.475 7.488 -7.624 1.00 0.00 C ATOM 717 CD LYS A 48 -11.203 7.324 -8.967 1.00 0.00 C ATOM 718 CE LYS A 48 -12.728 7.218 -8.807 1.00 0.00 C ATOM 719 NZ LYS A 48 -13.170 5.957 -8.157 1.00 0.00 N ATOM 0 H LYS A 48 -8.582 5.805 -6.416 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.147 8.204 -6.810 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.883 8.731 -8.373 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.563 7.012 -8.495 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.588 6.581 -7.031 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.930 8.299 -7.055 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.967 8.173 -9.609 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.832 6.431 -9.470 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.083 8.064 -8.219 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.194 7.294 -9.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.207 5.951 -8.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.860 5.145 -8.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.752 5.891 -7.207 1.00 0.00 H new ATOM 733 N TRP A 49 -9.467 8.439 -4.547 1.00 0.00 N ATOM 734 CA TRP A 49 -9.987 9.365 -3.544 1.00 0.00 C ATOM 735 C TRP A 49 -8.863 9.979 -2.703 1.00 0.00 C ATOM 736 O TRP A 49 -9.026 11.096 -2.207 1.00 0.00 O ATOM 737 CB TRP A 49 -11.098 8.727 -2.691 1.00 0.00 C ATOM 738 CG TRP A 49 -10.886 7.365 -2.084 1.00 0.00 C ATOM 739 CD1 TRP A 49 -11.556 6.247 -2.448 1.00 0.00 C ATOM 740 CD2 TRP A 49 -10.043 6.957 -0.958 1.00 0.00 C ATOM 741 NE1 TRP A 49 -11.205 5.195 -1.628 1.00 0.00 N ATOM 742 CE2 TRP A 49 -10.279 5.575 -0.682 1.00 0.00 C ATOM 743 CE3 TRP A 49 -9.109 7.610 -0.127 1.00 0.00 C ATOM 744 CZ2 TRP A 49 -9.623 4.889 0.353 1.00 0.00 C ATOM 745 CZ3 TRP A 49 -8.392 6.916 0.865 1.00 0.00 C ATOM 746 CH2 TRP A 49 -8.637 5.553 1.100 1.00 0.00 C ATOM 0 H TRP A 49 -9.739 7.466 -4.407 1.00 0.00 H new ATOM 0 HA TRP A 49 -10.457 10.192 -4.076 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -11.318 9.416 -1.875 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -11.993 8.671 -3.311 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.263 6.187 -3.262 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -11.584 4.252 -1.712 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -8.940 8.669 -0.255 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -9.874 3.862 0.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -7.648 7.435 1.450 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -8.071 5.020 1.850 1.00 0.00 H new ATOM 757 N ALA A 50 -7.713 9.305 -2.568 1.00 0.00 N ATOM 758 CA ALA A 50 -6.530 9.891 -1.967 1.00 0.00 C ATOM 759 C ALA A 50 -5.832 10.765 -3.008 1.00 0.00 C ATOM 760 O ALA A 50 -4.908 10.332 -3.696 1.00 0.00 O ATOM 761 CB ALA A 50 -5.613 8.817 -1.390 1.00 0.00 C ATOM 0 H ALA A 50 -7.587 8.340 -2.875 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.815 10.521 -1.124 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.735 9.288 -0.947 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.148 8.254 -0.625 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.299 8.141 -2.185 1.00 0.00 H new ATOM 767 N GLU A 51 -6.296 12.007 -3.137 1.00 0.00 N ATOM 768 CA GLU A 51 -5.676 13.010 -3.998 1.00 0.00 C ATOM 769 C GLU A 51 -4.265 13.390 -3.498 1.00 0.00 C ATOM 770 O GLU A 51 -3.471 13.941 -4.262 1.00 0.00 O ATOM 771 CB GLU A 51 -6.627 14.218 -4.081 1.00 0.00 C ATOM 772 CG GLU A 51 -6.190 15.288 -5.092 1.00 0.00 C ATOM 773 CD GLU A 51 -7.274 16.365 -5.279 1.00 0.00 C ATOM 774 OE1 GLU A 51 -7.278 17.371 -4.532 1.00 0.00 O ATOM 775 OE2 GLU A 51 -8.123 16.232 -6.190 1.00 0.00 O ATOM 0 H GLU A 51 -7.120 12.347 -2.642 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.526 12.609 -5.000 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.623 13.866 -4.348 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.705 14.675 -3.094 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.266 15.756 -4.752 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.974 14.817 -6.051 1.00 0.00 H new ATOM 782 N TYR A 52 -3.927 13.059 -2.248 1.00 0.00 N ATOM 783 CA TYR A 52 -2.641 13.297 -1.598 1.00 0.00 C ATOM 784 C TYR A 52 -2.286 12.047 -0.784 1.00 0.00 C ATOM 785 O TYR A 52 -3.182 11.300 -0.376 1.00 0.00 O ATOM 786 CB TYR A 52 -2.674 14.570 -0.732 1.00 0.00 C ATOM 787 CG TYR A 52 -4.024 14.996 -0.185 1.00 0.00 C ATOM 788 CD1 TYR A 52 -4.896 15.728 -1.010 1.00 0.00 C ATOM 789 CD2 TYR A 52 -4.396 14.691 1.136 1.00 0.00 C ATOM 790 CE1 TYR A 52 -6.148 16.148 -0.527 1.00 0.00 C ATOM 791 CE2 TYR A 52 -5.645 15.110 1.631 1.00 0.00 C ATOM 792 CZ TYR A 52 -6.528 15.839 0.801 1.00 0.00 C ATOM 793 OH TYR A 52 -7.735 16.241 1.292 1.00 0.00 O ATOM 0 H TYR A 52 -4.587 12.589 -1.628 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.867 13.472 -2.346 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.998 14.424 0.110 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.273 15.393 -1.324 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.602 15.969 -2.021 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.723 14.135 1.771 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.817 16.704 -1.167 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.930 14.875 2.646 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.827 15.940 2.220 1.00 0.00 H new ATOM 803 N HIS A 53 -0.996 11.789 -0.556 1.00 0.00 N ATOM 804 CA HIS A 53 -0.534 10.537 0.042 1.00 0.00 C ATOM 805 C HIS A 53 -0.924 10.502 1.515 1.00 0.00 C ATOM 806 O HIS A 53 -1.281 9.444 2.041 1.00 0.00 O ATOM 807 CB HIS A 53 0.990 10.394 -0.088 1.00 0.00 C ATOM 808 CG HIS A 53 1.529 10.581 -1.485 1.00 0.00 C ATOM 809 ND1 HIS A 53 1.903 9.557 -2.355 1.00 0.00 N ATOM 810 CD2 HIS A 53 1.809 11.780 -2.072 1.00 0.00 C ATOM 811 CE1 HIS A 53 2.391 10.173 -3.446 1.00 0.00 C ATOM 812 NE2 HIS A 53 2.345 11.506 -3.305 1.00 0.00 N ATOM 0 H HIS A 53 -0.245 12.441 -0.781 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.004 9.708 -0.487 1.00 0.00 H new ATOM 0 HB2 HIS A 53 1.466 11.121 0.570 1.00 0.00 H new ATOM 0 HB3 HIS A 53 1.279 9.405 0.268 1.00 0.00 H new ATOM 0 HD2 HIS A 53 1.641 12.759 -1.647 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.769 9.663 -4.319 1.00 0.00 H new ATOM 0 HE2 HIS A 53 2.654 12.194 -3.992 1.00 0.00 H new ATOM 820 N ALA A 54 -0.920 11.667 2.170 1.00 0.00 N ATOM 821 CA ALA A 54 -1.390 11.804 3.539 1.00 0.00 C ATOM 822 C ALA A 54 -2.824 11.301 3.728 1.00 0.00 C ATOM 823 O ALA A 54 -3.158 10.896 4.839 1.00 0.00 O ATOM 824 CB ALA A 54 -1.281 13.264 3.991 1.00 0.00 C ATOM 0 H ALA A 54 -0.589 12.540 1.759 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.749 11.177 4.158 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.636 13.354 5.018 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.241 13.585 3.937 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.889 13.893 3.340 1.00 0.00 H new ATOM 830 N ASP A 55 -3.673 11.313 2.691 1.00 0.00 N ATOM 831 CA ASP A 55 -5.076 10.934 2.855 1.00 0.00 C ATOM 832 C ASP A 55 -5.206 9.441 3.150 1.00 0.00 C ATOM 833 O ASP A 55 -5.843 9.055 4.131 1.00 0.00 O ATOM 834 CB ASP A 55 -5.902 11.276 1.613 1.00 0.00 C ATOM 835 CG ASP A 55 -7.397 11.237 1.965 1.00 0.00 C ATOM 836 OD1 ASP A 55 -7.899 12.206 2.579 1.00 0.00 O ATOM 837 OD2 ASP A 55 -8.072 10.245 1.627 1.00 0.00 O ATOM 0 H ASP A 55 -3.413 11.579 1.741 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.462 11.506 3.699 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.630 12.265 1.243 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.687 10.567 0.814 1.00 0.00 H new ATOM 842 N ILE A 56 -4.549 8.599 2.339 1.00 0.00 N ATOM 843 CA ILE A 56 -4.516 7.156 2.559 1.00 0.00 C ATOM 844 C ILE A 56 -3.774 6.841 3.846 1.00 0.00 C ATOM 845 O ILE A 56 -4.214 5.945 4.567 1.00 0.00 O ATOM 846 CB ILE A 56 -3.908 6.335 1.388 1.00 0.00 C ATOM 847 CG1 ILE A 56 -2.915 7.096 0.472 1.00 0.00 C ATOM 848 CG2 ILE A 56 -5.039 5.597 0.658 1.00 0.00 C ATOM 849 CD1 ILE A 56 -2.652 6.441 -0.890 1.00 0.00 C ATOM 0 H ILE A 56 -4.029 8.903 1.516 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.559 6.849 2.628 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.236 5.593 1.819 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.297 8.103 0.305 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.966 7.198 0.998 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.623 5.018 -0.166 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.545 4.927 1.354 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.754 6.322 0.267 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.945 7.049 -1.456 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.236 5.445 -0.740 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.588 6.364 -1.443 1.00 0.00 H new ATOM 861 N TYR A 57 -2.678 7.550 4.148 1.00 0.00 N ATOM 862 CA TYR A 57 -1.966 7.269 5.379 1.00 0.00 C ATOM 863 C TYR A 57 -2.886 7.526 6.570 1.00 0.00 C ATOM 864 O TYR A 57 -3.082 6.609 7.355 1.00 0.00 O ATOM 865 CB TYR A 57 -0.649 8.044 5.495 1.00 0.00 C ATOM 866 CG TYR A 57 0.085 7.723 6.788 1.00 0.00 C ATOM 867 CD1 TYR A 57 0.393 6.384 7.112 1.00 0.00 C ATOM 868 CD2 TYR A 57 0.408 8.748 7.698 1.00 0.00 C ATOM 869 CE1 TYR A 57 1.010 6.066 8.334 1.00 0.00 C ATOM 870 CE2 TYR A 57 1.034 8.440 8.919 1.00 0.00 C ATOM 871 CZ TYR A 57 1.332 7.098 9.247 1.00 0.00 C ATOM 872 OH TYR A 57 1.913 6.817 10.447 1.00 0.00 O ATOM 0 H TYR A 57 -2.284 8.295 3.573 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.682 6.217 5.371 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -0.010 7.804 4.645 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -0.852 9.114 5.449 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.152 5.596 6.414 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.174 9.775 7.457 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.237 5.038 8.575 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.288 9.232 9.608 1.00 0.00 H new ATOM 0 HH TYR A 57 2.062 7.650 10.941 1.00 0.00 H new ATOM 882 N ASP A 58 -3.514 8.701 6.674 1.00 0.00 N ATOM 883 CA ASP A 58 -4.373 9.039 7.811 1.00 0.00 C ATOM 884 C ASP A 58 -5.555 8.074 7.944 1.00 0.00 C ATOM 885 O ASP A 58 -5.854 7.608 9.045 1.00 0.00 O ATOM 886 CB ASP A 58 -4.891 10.474 7.675 1.00 0.00 C ATOM 887 CG ASP A 58 -5.852 10.816 8.826 1.00 0.00 C ATOM 888 OD1 ASP A 58 -5.380 11.074 9.956 1.00 0.00 O ATOM 889 OD2 ASP A 58 -7.082 10.861 8.600 1.00 0.00 O ATOM 0 H ASP A 58 -3.441 9.441 5.976 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.767 8.951 8.713 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.052 11.170 7.676 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.403 10.592 6.720 1.00 0.00 H new ATOM 894 N LYS A 59 -6.201 7.737 6.822 1.00 0.00 N ATOM 895 CA LYS A 59 -7.306 6.781 6.770 1.00 0.00 C ATOM 896 C LYS A 59 -6.873 5.429 7.330 1.00 0.00 C ATOM 897 O LYS A 59 -7.522 4.899 8.233 1.00 0.00 O ATOM 898 CB LYS A 59 -7.746 6.660 5.294 1.00 0.00 C ATOM 899 CG LYS A 59 -8.856 5.630 5.002 1.00 0.00 C ATOM 900 CD LYS A 59 -10.277 6.208 4.927 1.00 0.00 C ATOM 901 CE LYS A 59 -10.460 7.178 3.747 1.00 0.00 C ATOM 902 NZ LYS A 59 -11.845 7.704 3.661 1.00 0.00 N ATOM 0 H LYS A 59 -5.964 8.129 5.911 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.141 7.124 7.381 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.088 7.638 4.956 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.872 6.403 4.695 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.631 5.135 4.057 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.832 4.864 5.777 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.993 5.391 4.835 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.503 6.728 5.858 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.763 8.010 3.852 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.209 6.667 2.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.920 8.353 2.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.509 6.914 3.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.077 8.215 4.537 1.00 0.00 H new ATOM 916 N VAL A 60 -5.785 4.869 6.811 1.00 0.00 N ATOM 917 CA VAL A 60 -5.433 3.490 7.098 1.00 0.00 C ATOM 918 C VAL A 60 -4.635 3.360 8.393 1.00 0.00 C ATOM 919 O VAL A 60 -4.904 2.419 9.134 1.00 0.00 O ATOM 920 CB VAL A 60 -4.779 2.866 5.849 1.00 0.00 C ATOM 921 CG1 VAL A 60 -4.394 1.399 6.100 1.00 0.00 C ATOM 922 CG2 VAL A 60 -5.780 2.938 4.672 1.00 0.00 C ATOM 0 H VAL A 60 -5.135 5.351 6.191 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.330 2.905 7.301 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.871 3.422 5.614 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.935 0.985 5.202 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.686 1.345 6.927 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.287 0.826 6.348 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.328 2.499 3.783 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.684 2.386 4.929 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.034 3.979 4.474 1.00 0.00 H new ATOM 932 N SER A 61 -3.735 4.282 8.748 1.00 0.00 N ATOM 933 CA SER A 61 -3.108 4.245 10.063 1.00 0.00 C ATOM 934 C SER A 61 -4.174 4.439 11.140 1.00 0.00 C ATOM 935 O SER A 61 -4.120 3.763 12.165 1.00 0.00 O ATOM 936 CB SER A 61 -1.967 5.265 10.178 1.00 0.00 C ATOM 937 OG SER A 61 -2.426 6.604 10.178 1.00 0.00 O ATOM 0 H SER A 61 -3.431 5.050 8.150 1.00 0.00 H new ATOM 0 HA SER A 61 -2.648 3.268 10.209 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.409 5.077 11.095 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.274 5.123 9.349 1.00 0.00 H new ATOM 0 HG SER A 61 -2.733 6.845 9.279 1.00 0.00 H new ATOM 943 N GLY A 62 -5.179 5.286 10.881 1.00 0.00 N ATOM 944 CA GLY A 62 -6.343 5.443 11.731 1.00 0.00 C ATOM 945 C GLY A 62 -7.079 4.117 11.892 1.00 0.00 C ATOM 946 O GLY A 62 -7.359 3.718 13.018 1.00 0.00 O ATOM 0 H GLY A 62 -5.196 5.887 10.057 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.037 5.815 12.709 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.014 6.187 11.302 1.00 0.00 H new ATOM 950 N ASP A 63 -7.361 3.399 10.800 1.00 0.00 N ATOM 951 CA ASP A 63 -8.039 2.107 10.885 1.00 0.00 C ATOM 952 C ASP A 63 -7.208 1.084 11.655 1.00 0.00 C ATOM 953 O ASP A 63 -7.739 0.412 12.536 1.00 0.00 O ATOM 954 CB ASP A 63 -8.409 1.552 9.509 1.00 0.00 C ATOM 955 CG ASP A 63 -9.320 0.324 9.684 1.00 0.00 C ATOM 956 OD1 ASP A 63 -10.554 0.508 9.785 1.00 0.00 O ATOM 957 OD2 ASP A 63 -8.815 -0.819 9.714 1.00 0.00 O ATOM 0 H ASP A 63 -7.130 3.692 9.851 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.964 2.287 11.433 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.918 2.316 8.921 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.508 1.276 8.961 1.00 0.00 H new ATOM 962 N MET A 64 -5.900 1.011 11.398 1.00 0.00 N ATOM 963 CA MET A 64 -5.012 0.110 12.123 1.00 0.00 C ATOM 964 C MET A 64 -5.017 0.453 13.605 1.00 0.00 C ATOM 965 O MET A 64 -5.149 -0.446 14.426 1.00 0.00 O ATOM 966 CB MET A 64 -3.581 0.164 11.572 1.00 0.00 C ATOM 967 CG MET A 64 -3.444 -0.388 10.145 1.00 0.00 C ATOM 968 SD MET A 64 -4.079 -2.061 9.887 1.00 0.00 S ATOM 969 CE MET A 64 -5.609 -1.649 9.025 1.00 0.00 C ATOM 0 H MET A 64 -5.433 1.572 10.686 1.00 0.00 H new ATOM 0 HA MET A 64 -5.382 -0.906 11.987 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.235 1.198 11.586 1.00 0.00 H new ATOM 0 HB3 MET A 64 -2.925 -0.401 12.234 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.962 0.286 9.463 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.390 -0.373 9.869 1.00 0.00 H new ATOM 0 HE1 MET A 64 -6.120 -2.566 8.733 1.00 0.00 H new ATOM 0 HE2 MET A 64 -6.254 -1.069 9.685 1.00 0.00 H new ATOM 0 HE3 MET A 64 -5.379 -1.063 8.135 1.00 0.00 H new ATOM 979 N GLN A 65 -4.948 1.733 13.964 1.00 0.00 N ATOM 980 CA GLN A 65 -4.992 2.195 15.340 1.00 0.00 C ATOM 981 C GLN A 65 -6.359 1.941 15.987 1.00 0.00 C ATOM 982 O GLN A 65 -6.407 1.688 17.190 1.00 0.00 O ATOM 983 CB GLN A 65 -4.613 3.685 15.371 1.00 0.00 C ATOM 984 CG GLN A 65 -3.097 3.931 15.253 1.00 0.00 C ATOM 985 CD GLN A 65 -2.406 3.855 16.617 1.00 0.00 C ATOM 986 OE1 GLN A 65 -2.276 4.853 17.322 1.00 0.00 O ATOM 987 NE2 GLN A 65 -1.969 2.679 17.035 1.00 0.00 N ATOM 0 H GLN A 65 -4.858 2.491 13.287 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.273 1.628 15.931 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.122 4.199 14.556 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.974 4.125 16.300 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.659 3.193 14.581 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.920 4.911 14.809 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.080 1.854 16.445 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.521 2.596 17.948 1.00 0.00 H new ATOM 996 N LYS A 66 -7.462 1.938 15.227 1.00 0.00 N ATOM 997 CA LYS A 66 -8.764 1.493 15.731 1.00 0.00 C ATOM 998 C LYS A 66 -8.738 -0.018 15.983 1.00 0.00 C ATOM 999 O LYS A 66 -9.265 -0.463 17.005 1.00 0.00 O ATOM 1000 CB LYS A 66 -9.899 1.926 14.782 1.00 0.00 C ATOM 1001 CG LYS A 66 -10.173 3.438 14.913 1.00 0.00 C ATOM 1002 CD LYS A 66 -11.285 3.965 13.990 1.00 0.00 C ATOM 1003 CE LYS A 66 -10.885 3.994 12.504 1.00 0.00 C ATOM 1004 NZ LYS A 66 -11.964 4.555 11.651 1.00 0.00 N ATOM 0 H LYS A 66 -7.476 2.242 14.253 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.967 1.976 16.687 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.630 1.688 13.753 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.805 1.366 15.012 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.441 3.658 15.946 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.253 3.981 14.700 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -12.171 3.341 14.108 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.561 4.972 14.304 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.980 4.589 12.383 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.648 2.983 12.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.656 4.557 10.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.820 3.972 11.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.173 5.529 11.951 1.00 0.00 H new ATOM 1018 N GLN A 67 -8.084 -0.814 15.126 1.00 0.00 N ATOM 1019 CA GLN A 67 -7.832 -2.224 15.433 1.00 0.00 C ATOM 1020 C GLN A 67 -6.851 -2.352 16.615 1.00 0.00 C ATOM 1021 O GLN A 67 -6.878 -3.358 17.316 1.00 0.00 O ATOM 1022 CB GLN A 67 -7.325 -2.995 14.198 1.00 0.00 C ATOM 1023 CG GLN A 67 -8.330 -2.991 13.030 1.00 0.00 C ATOM 1024 CD GLN A 67 -7.858 -3.830 11.838 1.00 0.00 C ATOM 1025 OE1 GLN A 67 -7.383 -4.952 11.990 1.00 0.00 O ATOM 1026 NE2 GLN A 67 -7.989 -3.335 10.619 1.00 0.00 N ATOM 0 H GLN A 67 -7.723 -0.507 14.223 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.780 -2.677 15.724 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.386 -2.555 13.863 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.111 -4.025 14.482 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.289 -3.373 13.380 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.496 -1.965 12.703 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.383 -2.404 10.486 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -7.696 -3.885 9.811 1.00 0.00 H new ATOM 1035 N GLY A 68 -6.009 -1.344 16.859 1.00 0.00 N ATOM 1036 CA GLY A 68 -5.047 -1.208 17.952 1.00 0.00 C ATOM 1037 C GLY A 68 -3.599 -1.179 17.446 1.00 0.00 C ATOM 1038 O GLY A 68 -2.714 -0.667 18.130 1.00 0.00 O ATOM 0 H GLY A 68 -5.982 -0.532 16.242 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.255 -0.293 18.506 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.171 -2.037 18.649 1.00 0.00 H new ATOM 1042 N CYS A 69 -3.367 -1.713 16.245 1.00 0.00 N ATOM 1043 CA CYS A 69 -2.071 -1.819 15.592 1.00 0.00 C ATOM 1044 C CYS A 69 -1.445 -0.437 15.398 1.00 0.00 C ATOM 1045 O CYS A 69 -2.155 0.551 15.215 1.00 0.00 O ATOM 1046 CB CYS A 69 -2.276 -2.508 14.241 1.00 0.00 C ATOM 1047 SG CYS A 69 -2.752 -4.241 14.505 1.00 0.00 S ATOM 0 H CYS A 69 -4.120 -2.101 15.677 1.00 0.00 H new ATOM 0 HA CYS A 69 -1.390 -2.401 16.213 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -3.048 -1.991 13.672 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.359 -2.458 13.653 1.00 0.00 H new ATOM 0 HG CYS A 69 -3.328 -4.701 13.434 1.00 0.00 H new ATOM 1053 N ASP A 70 -0.116 -0.368 15.397 1.00 0.00 N ATOM 1054 CA ASP A 70 0.640 0.873 15.207 1.00 0.00 C ATOM 1055 C ASP A 70 1.300 0.832 13.831 1.00 0.00 C ATOM 1056 O ASP A 70 1.579 -0.264 13.342 1.00 0.00 O ATOM 1057 CB ASP A 70 1.672 1.022 16.328 1.00 0.00 C ATOM 1058 CG ASP A 70 2.533 2.282 16.142 1.00 0.00 C ATOM 1059 OD1 ASP A 70 1.972 3.365 15.860 1.00 0.00 O ATOM 1060 OD2 ASP A 70 3.772 2.195 16.291 1.00 0.00 O ATOM 0 H ASP A 70 0.479 -1.186 15.530 1.00 0.00 H new ATOM 0 HA ASP A 70 -0.019 1.740 15.251 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.161 1.069 17.290 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.315 0.142 16.351 1.00 0.00 H new ATOM 1065 N CYS A 71 1.566 1.988 13.211 1.00 0.00 N ATOM 1066 CA CYS A 71 1.975 2.070 11.811 1.00 0.00 C ATOM 1067 C CYS A 71 2.986 3.179 11.522 1.00 0.00 C ATOM 1068 O CYS A 71 3.084 4.151 12.272 1.00 0.00 O ATOM 1069 CB CYS A 71 0.730 2.376 10.964 1.00 0.00 C ATOM 1070 SG CYS A 71 -0.403 0.978 10.961 1.00 0.00 S ATOM 0 H CYS A 71 1.502 2.895 13.672 1.00 0.00 H new ATOM 0 HA CYS A 71 2.446 1.116 11.572 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.225 3.258 11.358 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.029 2.610 9.942 1.00 0.00 H new ATOM 0 HG CYS A 71 -0.477 0.482 9.762 1.00 0.00 H new ATOM 1076 N GLU A 72 3.652 3.081 10.366 1.00 0.00 N ATOM 1077 CA GLU A 72 4.492 4.116 9.789 1.00 0.00 C ATOM 1078 C GLU A 72 4.419 3.955 8.266 1.00 0.00 C ATOM 1079 O GLU A 72 4.656 2.859 7.755 1.00 0.00 O ATOM 1080 CB GLU A 72 5.925 3.943 10.319 1.00 0.00 C ATOM 1081 CG GLU A 72 6.888 4.930 9.653 1.00 0.00 C ATOM 1082 CD GLU A 72 8.254 4.967 10.362 1.00 0.00 C ATOM 1083 OE1 GLU A 72 9.124 4.116 10.074 1.00 0.00 O ATOM 1084 OE2 GLU A 72 8.479 5.864 11.207 1.00 0.00 O ATOM 0 H GLU A 72 3.613 2.240 9.789 1.00 0.00 H new ATOM 0 HA GLU A 72 4.162 5.119 10.060 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.936 4.093 11.399 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.262 2.923 10.135 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.029 4.651 8.609 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.448 5.927 9.660 1.00 0.00 H new ATOM 1091 N CYS A 73 4.070 5.011 7.525 1.00 0.00 N ATOM 1092 CA CYS A 73 4.195 5.002 6.072 1.00 0.00 C ATOM 1093 C CYS A 73 5.696 4.987 5.752 1.00 0.00 C ATOM 1094 O CYS A 73 6.417 5.935 6.074 1.00 0.00 O ATOM 1095 CB CYS A 73 3.455 6.186 5.418 1.00 0.00 C ATOM 1096 SG CYS A 73 3.665 7.709 6.386 1.00 0.00 S ATOM 0 H CYS A 73 3.700 5.880 7.911 1.00 0.00 H new ATOM 0 HA CYS A 73 3.718 4.117 5.651 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.832 6.340 4.407 1.00 0.00 H new ATOM 0 HB3 CYS A 73 2.394 5.951 5.330 1.00 0.00 H new ATOM 0 HG CYS A 73 4.034 8.676 5.599 1.00 0.00 H new ATOM 1102 N LEU A 74 6.180 3.905 5.136 1.00 0.00 N ATOM 1103 CA LEU A 74 7.559 3.816 4.667 1.00 0.00 C ATOM 1104 C LEU A 74 7.790 4.798 3.511 1.00 0.00 C ATOM 1105 O LEU A 74 8.926 5.217 3.292 1.00 0.00 O ATOM 1106 CB LEU A 74 7.917 2.377 4.246 1.00 0.00 C ATOM 1107 CG LEU A 74 7.823 1.316 5.363 1.00 0.00 C ATOM 1108 CD1 LEU A 74 8.360 -0.027 4.852 1.00 0.00 C ATOM 1109 CD2 LEU A 74 8.598 1.707 6.629 1.00 0.00 C ATOM 0 H LEU A 74 5.625 3.069 4.950 1.00 0.00 H new ATOM 0 HA LEU A 74 8.217 4.088 5.492 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.257 2.081 3.431 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.933 2.375 3.851 1.00 0.00 H new ATOM 0 HG LEU A 74 6.769 1.239 5.630 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.291 -0.772 5.645 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.770 -0.353 3.996 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.402 0.088 4.552 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.493 0.921 7.377 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.652 1.837 6.385 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.200 2.641 7.026 1.00 0.00 H new ATOM 1121 N GLY A 75 6.727 5.190 2.799 1.00 0.00 N ATOM 1122 CA GLY A 75 6.749 6.258 1.814 1.00 0.00 C ATOM 1123 C GLY A 75 5.425 6.324 1.063 1.00 0.00 C ATOM 1124 O GLY A 75 4.493 5.569 1.365 1.00 0.00 O ATOM 0 H GLY A 75 5.809 4.758 2.900 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.941 7.211 2.307 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.565 6.094 1.110 1.00 0.00 H new ATOM 1128 N GLY A 76 5.369 7.195 0.056 1.00 0.00 N ATOM 1129 CA GLY A 76 4.255 7.304 -0.873 1.00 0.00 C ATOM 1130 C GLY A 76 4.763 7.369 -2.308 1.00 0.00 C ATOM 1131 O GLY A 76 5.957 7.559 -2.548 1.00 0.00 O ATOM 0 H GLY A 76 6.118 7.859 -0.137 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.590 6.449 -0.755 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.671 8.196 -0.647 1.00 0.00 H new ATOM 1135 N GLY A 77 3.852 7.197 -3.258 1.00 0.00 N ATOM 1136 CA GLY A 77 4.111 7.154 -4.687 1.00 0.00 C ATOM 1137 C GLY A 77 2.770 7.094 -5.407 1.00 0.00 C ATOM 1138 O GLY A 77 1.742 7.472 -4.842 1.00 0.00 O ATOM 0 H GLY A 77 2.863 7.078 -3.038 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.672 8.035 -4.999 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.718 6.284 -4.938 1.00 0.00 H new ATOM 1142 N ARG A 78 2.728 6.589 -6.636 1.00 0.00 N ATOM 1143 CA ARG A 78 1.476 6.404 -7.358 1.00 0.00 C ATOM 1144 C ARG A 78 1.504 5.105 -8.142 1.00 0.00 C ATOM 1145 O ARG A 78 2.572 4.557 -8.419 1.00 0.00 O ATOM 1146 CB ARG A 78 1.151 7.638 -8.223 1.00 0.00 C ATOM 1147 CG ARG A 78 2.071 7.891 -9.428 1.00 0.00 C ATOM 1148 CD ARG A 78 1.582 9.159 -10.142 1.00 0.00 C ATOM 1149 NE ARG A 78 2.317 9.438 -11.388 1.00 0.00 N ATOM 1150 CZ ARG A 78 2.010 10.414 -12.256 1.00 0.00 C ATOM 1151 NH1 ARG A 78 0.986 11.235 -12.022 1.00 0.00 N ATOM 1152 NH2 ARG A 78 2.732 10.573 -13.359 1.00 0.00 N ATOM 0 H ARG A 78 3.556 6.298 -7.156 1.00 0.00 H new ATOM 0 HA ARG A 78 0.658 6.316 -6.643 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.129 7.539 -8.589 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.176 8.520 -7.583 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.103 8.013 -9.100 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.051 7.039 -10.108 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.521 9.056 -10.368 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.683 10.010 -9.469 1.00 0.00 H new ATOM 0 HE ARG A 78 3.118 8.846 -11.607 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.427 11.125 -11.176 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.762 11.974 -12.689 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.520 9.953 -13.546 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.499 11.315 -14.019 1.00 0.00 H new ATOM 1166 N ILE A 79 0.313 4.630 -8.475 1.00 0.00 N ATOM 1167 CA ILE A 79 0.065 3.474 -9.311 1.00 0.00 C ATOM 1168 C ILE A 79 -0.534 4.055 -10.590 1.00 0.00 C ATOM 1169 O ILE A 79 -1.401 4.935 -10.530 1.00 0.00 O ATOM 1170 CB ILE A 79 -0.879 2.486 -8.584 1.00 0.00 C ATOM 1171 CG1 ILE A 79 -0.150 1.821 -7.392 1.00 0.00 C ATOM 1172 CG2 ILE A 79 -1.402 1.396 -9.541 1.00 0.00 C ATOM 1173 CD1 ILE A 79 -1.085 1.096 -6.414 1.00 0.00 C ATOM 0 H ILE A 79 -0.549 5.067 -8.150 1.00 0.00 H new ATOM 0 HA ILE A 79 0.959 2.892 -9.536 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.731 3.058 -8.217 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.579 1.108 -7.777 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.407 2.584 -6.848 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.062 0.720 -8.997 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.954 1.863 -10.357 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.561 0.834 -9.947 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.498 0.657 -5.607 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.799 1.807 -5.998 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.623 0.308 -6.941 1.00 0.00 H new ATOM 1333 N HIS A 89 2.124 0.091 -13.379 1.00 0.00 N ATOM 1334 CA HIS A 89 3.402 0.674 -13.003 1.00 0.00 C ATOM 1335 C HIS A 89 3.263 1.346 -11.644 1.00 0.00 C ATOM 1336 O HIS A 89 2.173 1.807 -11.302 1.00 0.00 O ATOM 1337 CB HIS A 89 3.868 1.665 -14.077 1.00 0.00 C ATOM 1338 CG HIS A 89 5.358 1.884 -14.033 1.00 0.00 C ATOM 1339 ND1 HIS A 89 6.311 0.918 -14.252 1.00 0.00 N ATOM 1340 CD2 HIS A 89 6.023 3.058 -13.798 1.00 0.00 C ATOM 1341 CE1 HIS A 89 7.519 1.494 -14.169 1.00 0.00 C ATOM 1342 NE2 HIS A 89 7.399 2.802 -13.877 1.00 0.00 N ATOM 0 HA HIS A 89 4.159 -0.106 -12.928 1.00 0.00 H new ATOM 0 HB2 HIS A 89 3.585 1.292 -15.062 1.00 0.00 H new ATOM 0 HB3 HIS A 89 3.357 2.618 -13.938 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.567 4.014 -13.588 1.00 0.00 H new ATOM 0 HE1 HIS A 89 8.457 0.980 -14.316 1.00 0.00 H new ATOM 0 HE2 HIS A 89 8.156 3.472 -13.741 1.00 0.00 H new ATOM 1350 N VAL A 90 4.350 1.417 -10.877 1.00 0.00 N ATOM 1351 CA VAL A 90 4.345 1.909 -9.506 1.00 0.00 C ATOM 1352 C VAL A 90 5.631 2.710 -9.298 1.00 0.00 C ATOM 1353 O VAL A 90 6.721 2.160 -9.444 1.00 0.00 O ATOM 1354 CB VAL A 90 4.265 0.729 -8.511 1.00 0.00 C ATOM 1355 CG1 VAL A 90 3.925 1.264 -7.113 1.00 0.00 C ATOM 1356 CG2 VAL A 90 3.218 -0.339 -8.874 1.00 0.00 C ATOM 0 H VAL A 90 5.274 1.128 -11.200 1.00 0.00 H new ATOM 0 HA VAL A 90 3.476 2.542 -9.329 1.00 0.00 H new ATOM 0 HB VAL A 90 5.243 0.248 -8.547 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.868 0.433 -6.409 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.700 1.960 -6.791 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.965 1.779 -7.144 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.229 -1.129 -8.124 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.229 0.117 -8.906 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.454 -0.762 -9.850 1.00 0.00 H new ATOM 1366 N TYR A 91 5.530 4.002 -8.990 1.00 0.00 N ATOM 1367 CA TYR A 91 6.678 4.877 -8.751 1.00 0.00 C ATOM 1368 C TYR A 91 6.185 6.189 -8.140 1.00 0.00 C ATOM 1369 O TYR A 91 4.994 6.482 -8.217 1.00 0.00 O ATOM 1370 CB TYR A 91 7.431 5.164 -10.066 1.00 0.00 C ATOM 1371 CG TYR A 91 6.757 6.128 -11.029 1.00 0.00 C ATOM 1372 CD1 TYR A 91 5.516 5.810 -11.613 1.00 0.00 C ATOM 1373 CD2 TYR A 91 7.392 7.339 -11.364 1.00 0.00 C ATOM 1374 CE1 TYR A 91 4.926 6.677 -12.546 1.00 0.00 C ATOM 1375 CE2 TYR A 91 6.815 8.211 -12.304 1.00 0.00 C ATOM 1376 CZ TYR A 91 5.581 7.874 -12.913 1.00 0.00 C ATOM 1377 OH TYR A 91 5.028 8.687 -13.859 1.00 0.00 O ATOM 0 H TYR A 91 4.633 4.479 -8.898 1.00 0.00 H new ATOM 0 HA TYR A 91 7.366 4.381 -8.066 1.00 0.00 H new ATOM 0 HB2 TYR A 91 8.415 5.560 -9.817 1.00 0.00 H new ATOM 0 HB3 TYR A 91 7.590 4.218 -10.583 1.00 0.00 H new ATOM 0 HD1 TYR A 91 5.015 4.893 -11.341 1.00 0.00 H new ATOM 0 HD2 TYR A 91 8.329 7.600 -10.895 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.970 6.429 -12.984 1.00 0.00 H new ATOM 0 HE2 TYR A 91 7.311 9.135 -12.561 1.00 0.00 H new ATOM 0 HH TYR A 91 5.603 9.469 -13.995 1.00 0.00 H new ATOM 1387 N GLY A 92 7.075 7.009 -7.582 1.00 0.00 N ATOM 1388 CA GLY A 92 6.761 8.370 -7.154 1.00 0.00 C ATOM 1389 C GLY A 92 7.367 8.681 -5.788 1.00 0.00 C ATOM 1390 O GLY A 92 8.044 7.838 -5.197 1.00 0.00 O ATOM 0 H GLY A 92 8.045 6.743 -7.413 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.138 9.080 -7.890 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.679 8.499 -7.111 1.00 0.00 H new ATOM 1394 N TYR A 93 7.116 9.893 -5.287 1.00 0.00 N ATOM 1395 CA TYR A 93 7.434 10.272 -3.916 1.00 0.00 C ATOM 1396 C TYR A 93 6.351 11.170 -3.325 1.00 0.00 C ATOM 1397 O TYR A 93 5.728 11.966 -4.033 1.00 0.00 O ATOM 1398 CB TYR A 93 8.801 10.977 -3.834 1.00 0.00 C ATOM 1399 CG TYR A 93 8.894 12.361 -4.466 1.00 0.00 C ATOM 1400 CD1 TYR A 93 8.868 12.519 -5.866 1.00 0.00 C ATOM 1401 CD2 TYR A 93 9.025 13.499 -3.645 1.00 0.00 C ATOM 1402 CE1 TYR A 93 8.956 13.799 -6.443 1.00 0.00 C ATOM 1403 CE2 TYR A 93 9.111 14.783 -4.212 1.00 0.00 C ATOM 1404 CZ TYR A 93 9.075 14.940 -5.616 1.00 0.00 C ATOM 1405 OH TYR A 93 9.159 16.189 -6.155 1.00 0.00 O ATOM 0 H TYR A 93 6.683 10.641 -5.828 1.00 0.00 H new ATOM 0 HA TYR A 93 7.481 9.353 -3.332 1.00 0.00 H new ATOM 0 HB2 TYR A 93 9.077 11.063 -2.783 1.00 0.00 H new ATOM 0 HB3 TYR A 93 9.544 10.336 -4.308 1.00 0.00 H new ATOM 0 HD1 TYR A 93 8.780 11.650 -6.501 1.00 0.00 H new ATOM 0 HD2 TYR A 93 9.060 13.384 -2.572 1.00 0.00 H new ATOM 0 HE1 TYR A 93 8.933 13.910 -7.517 1.00 0.00 H new ATOM 0 HE2 TYR A 93 9.205 15.650 -3.574 1.00 0.00 H new ATOM 0 HH TYR A 93 9.235 16.851 -5.436 1.00 0.00 H new ATOM 1415 N SER A 94 6.132 11.020 -2.021 1.00 0.00 N ATOM 1416 CA SER A 94 5.334 11.932 -1.216 1.00 0.00 C ATOM 1417 C SER A 94 6.283 13.067 -0.815 1.00 0.00 C ATOM 1418 O SER A 94 7.491 12.832 -0.694 1.00 0.00 O ATOM 1419 CB SER A 94 4.806 11.152 -0.006 1.00 0.00 C ATOM 1420 OG SER A 94 4.493 11.982 1.084 1.00 0.00 O ATOM 0 H SER A 94 6.515 10.241 -1.485 1.00 0.00 H new ATOM 0 HA SER A 94 4.471 12.346 -1.737 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.916 10.595 -0.299 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.553 10.421 0.303 1.00 0.00 H new ATOM 0 HG SER A 94 3.521 12.010 1.206 1.00 0.00 H new ATOM 1426 N MET A 95 5.778 14.277 -0.559 1.00 0.00 N ATOM 1427 CA MET A 95 6.632 15.316 0.010 1.00 0.00 C ATOM 1428 C MET A 95 6.685 15.166 1.530 1.00 0.00 C ATOM 1429 O MET A 95 7.742 15.405 2.118 1.00 0.00 O ATOM 1430 CB MET A 95 6.205 16.729 -0.412 1.00 0.00 C ATOM 1431 CG MET A 95 4.825 17.155 0.096 1.00 0.00 C ATOM 1432 SD MET A 95 4.398 18.890 -0.245 1.00 0.00 S ATOM 1433 CE MET A 95 5.475 19.746 0.942 1.00 0.00 C ATOM 0 H MET A 95 4.812 14.554 -0.731 1.00 0.00 H new ATOM 0 HA MET A 95 7.637 15.182 -0.390 1.00 0.00 H new ATOM 0 HB2 MET A 95 6.947 17.442 -0.051 1.00 0.00 H new ATOM 0 HB3 MET A 95 6.211 16.786 -1.500 1.00 0.00 H new ATOM 0 HG2 MET A 95 4.071 16.512 -0.358 1.00 0.00 H new ATOM 0 HG3 MET A 95 4.780 16.988 1.172 1.00 0.00 H new ATOM 0 HE1 MET A 95 5.217 20.805 0.970 1.00 0.00 H new ATOM 0 HE2 MET A 95 5.340 19.313 1.933 1.00 0.00 H new ATOM 0 HE3 MET A 95 6.515 19.634 0.636 1.00 0.00 H new ATOM 1443 N ALA A 96 5.585 14.756 2.174 1.00 0.00 N ATOM 1444 CA ALA A 96 5.562 14.610 3.624 1.00 0.00 C ATOM 1445 C ALA A 96 6.301 13.349 4.090 1.00 0.00 C ATOM 1446 O ALA A 96 6.813 13.339 5.213 1.00 0.00 O ATOM 1447 CB ALA A 96 4.116 14.594 4.123 1.00 0.00 C ATOM 0 H ALA A 96 4.707 14.522 1.711 1.00 0.00 H new ATOM 0 HA ALA A 96 6.085 15.466 4.050 1.00 0.00 H new ATOM 0 HB1 ALA A 96 4.107 14.485 5.207 1.00 0.00 H new ATOM 0 HB2 ALA A 96 3.626 15.528 3.848 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.584 13.758 3.669 1.00 0.00 H new ATOM 1453 N TYR A 97 6.392 12.313 3.246 1.00 0.00 N ATOM 1454 CA TYR A 97 6.865 10.988 3.646 1.00 0.00 C ATOM 1455 C TYR A 97 7.903 10.379 2.692 1.00 0.00 C ATOM 1456 O TYR A 97 8.444 9.315 2.996 1.00 0.00 O ATOM 1457 CB TYR A 97 5.648 10.061 3.800 1.00 0.00 C ATOM 1458 CG TYR A 97 4.505 10.643 4.620 1.00 0.00 C ATOM 1459 CD1 TYR A 97 4.639 10.799 6.013 1.00 0.00 C ATOM 1460 CD2 TYR A 97 3.317 11.056 3.988 1.00 0.00 C ATOM 1461 CE1 TYR A 97 3.579 11.321 6.776 1.00 0.00 C ATOM 1462 CE2 TYR A 97 2.247 11.558 4.743 1.00 0.00 C ATOM 1463 CZ TYR A 97 2.371 11.696 6.145 1.00 0.00 C ATOM 1464 OH TYR A 97 1.353 12.211 6.891 1.00 0.00 O ATOM 0 H TYR A 97 6.137 12.375 2.260 1.00 0.00 H new ATOM 0 HA TYR A 97 7.389 11.100 4.595 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.273 9.808 2.808 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.974 9.130 4.265 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.561 10.516 6.498 1.00 0.00 H new ATOM 0 HD2 TYR A 97 3.229 10.986 2.914 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.688 11.435 7.844 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.327 11.840 4.253 1.00 0.00 H new ATOM 0 HH TYR A 97 0.593 12.419 6.308 1.00 0.00 H new ATOM 1474 N GLY A 98 8.228 11.040 1.577 1.00 0.00 N ATOM 1475 CA GLY A 98 9.286 10.604 0.669 1.00 0.00 C ATOM 1476 C GLY A 98 8.855 9.453 -0.250 1.00 0.00 C ATOM 1477 O GLY A 98 7.679 9.069 -0.259 1.00 0.00 O ATOM 0 H GLY A 98 7.761 11.897 1.280 1.00 0.00 H new ATOM 0 HA2 GLY A 98 9.603 11.449 0.058 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.151 10.290 1.253 1.00 0.00 H new ATOM 1481 N PRO A 99 9.783 8.924 -1.069 1.00 0.00 N ATOM 1482 CA PRO A 99 9.550 7.755 -1.911 1.00 0.00 C ATOM 1483 C PRO A 99 9.436 6.478 -1.075 1.00 0.00 C ATOM 1484 O PRO A 99 9.791 6.455 0.106 1.00 0.00 O ATOM 1485 CB PRO A 99 10.743 7.702 -2.865 1.00 0.00 C ATOM 1486 CG PRO A 99 11.875 8.327 -2.054 1.00 0.00 C ATOM 1487 CD PRO A 99 11.161 9.381 -1.208 1.00 0.00 C ATOM 0 HA PRO A 99 8.608 7.829 -2.454 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.977 6.679 -3.159 1.00 0.00 H new ATOM 0 HB3 PRO A 99 10.550 8.260 -3.781 1.00 0.00 H new ATOM 0 HG2 PRO A 99 12.381 7.588 -1.433 1.00 0.00 H new ATOM 0 HG3 PRO A 99 12.632 8.774 -2.698 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.637 9.486 -0.233 1.00 0.00 H new ATOM 0 HD3 PRO A 99 11.201 10.359 -1.689 1.00 0.00 H new ATOM 1495 N ALA A 100 8.972 5.400 -1.710 1.00 0.00 N ATOM 1496 CA ALA A 100 8.652 4.130 -1.073 1.00 0.00 C ATOM 1497 C ALA A 100 9.415 2.978 -1.732 1.00 0.00 C ATOM 1498 O ALA A 100 9.939 3.114 -2.840 1.00 0.00 O ATOM 1499 CB ALA A 100 7.145 3.908 -1.212 1.00 0.00 C ATOM 0 H ALA A 100 8.804 5.391 -2.716 1.00 0.00 H new ATOM 0 HA ALA A 100 8.944 4.158 -0.023 1.00 0.00 H new ATOM 0 HB1 ALA A 100 6.872 2.962 -0.744 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.611 4.723 -0.723 1.00 0.00 H new ATOM 0 HB3 ALA A 100 6.877 3.881 -2.268 1.00 0.00 H new ATOM 1505 N GLN A 101 9.431 1.818 -1.067 1.00 0.00 N ATOM 1506 CA GLN A 101 9.954 0.573 -1.619 1.00 0.00 C ATOM 1507 C GLN A 101 8.912 -0.036 -2.561 1.00 0.00 C ATOM 1508 O GLN A 101 8.261 -1.028 -2.226 1.00 0.00 O ATOM 1509 CB GLN A 101 10.355 -0.407 -0.501 1.00 0.00 C ATOM 1510 CG GLN A 101 11.533 0.067 0.361 1.00 0.00 C ATOM 1511 CD GLN A 101 12.801 0.339 -0.452 1.00 0.00 C ATOM 1512 OE1 GLN A 101 13.165 1.485 -0.704 1.00 0.00 O ATOM 1513 NE2 GLN A 101 13.493 -0.699 -0.896 1.00 0.00 N ATOM 0 H GLN A 101 9.075 1.721 -0.116 1.00 0.00 H new ATOM 0 HA GLN A 101 10.860 0.783 -2.188 1.00 0.00 H new ATOM 0 HB2 GLN A 101 9.493 -0.577 0.144 1.00 0.00 H new ATOM 0 HB3 GLN A 101 10.611 -1.367 -0.950 1.00 0.00 H new ATOM 0 HG2 GLN A 101 11.246 0.976 0.890 1.00 0.00 H new ATOM 0 HG3 GLN A 101 11.749 -0.688 1.118 1.00 0.00 H new ATOM 0 HE21 GLN A 101 13.184 -1.647 -0.682 1.00 0.00 H new ATOM 0 HE22 GLN A 101 14.335 -0.550 -1.452 1.00 0.00 H new ATOM 1522 N HIS A 102 8.765 0.551 -3.751 1.00 0.00 N ATOM 1523 CA HIS A 102 7.865 0.069 -4.799 1.00 0.00 C ATOM 1524 C HIS A 102 8.103 -1.406 -5.152 1.00 0.00 C ATOM 1525 O HIS A 102 7.178 -2.070 -5.613 1.00 0.00 O ATOM 1526 CB HIS A 102 8.005 0.960 -6.042 1.00 0.00 C ATOM 1527 CG HIS A 102 7.785 2.420 -5.740 1.00 0.00 C ATOM 1528 ND1 HIS A 102 8.726 3.426 -5.782 1.00 0.00 N ATOM 1529 CD2 HIS A 102 6.641 2.962 -5.220 1.00 0.00 C ATOM 1530 CE1 HIS A 102 8.159 4.538 -5.284 1.00 0.00 C ATOM 1531 NE2 HIS A 102 6.878 4.313 -4.951 1.00 0.00 N ATOM 0 H HIS A 102 9.279 1.391 -4.017 1.00 0.00 H new ATOM 0 HA HIS A 102 6.846 0.130 -4.417 1.00 0.00 H new ATOM 0 HB2 HIS A 102 8.999 0.827 -6.469 1.00 0.00 H new ATOM 0 HB3 HIS A 102 7.288 0.638 -6.797 1.00 0.00 H new ATOM 0 HD1 HIS A 102 9.681 3.342 -6.129 1.00 0.00 H new ATOM 0 HD2 HIS A 102 5.714 2.436 -5.047 1.00 0.00 H new ATOM 0 HE1 HIS A 102 8.665 5.485 -5.167 1.00 0.00 H new ATOM 1539 N ALA A 103 9.309 -1.925 -4.888 1.00 0.00 N ATOM 1540 CA ALA A 103 9.654 -3.338 -4.983 1.00 0.00 C ATOM 1541 C ALA A 103 8.678 -4.240 -4.210 1.00 0.00 C ATOM 1542 O ALA A 103 8.301 -5.305 -4.700 1.00 0.00 O ATOM 1543 CB ALA A 103 11.074 -3.522 -4.430 1.00 0.00 C ATOM 0 H ALA A 103 10.095 -1.347 -4.592 1.00 0.00 H new ATOM 0 HA ALA A 103 9.594 -3.635 -6.030 1.00 0.00 H new ATOM 0 HB1 ALA A 103 11.355 -4.573 -4.491 1.00 0.00 H new ATOM 0 HB2 ALA A 103 11.773 -2.925 -5.016 1.00 0.00 H new ATOM 0 HB3 ALA A 103 11.104 -3.198 -3.390 1.00 0.00 H new ATOM 1549 N ILE A 104 8.277 -3.838 -2.997 1.00 0.00 N ATOM 1550 CA ILE A 104 7.337 -4.606 -2.185 1.00 0.00 C ATOM 1551 C ILE A 104 5.993 -4.612 -2.919 1.00 0.00 C ATOM 1552 O ILE A 104 5.390 -5.671 -3.110 1.00 0.00 O ATOM 1553 CB ILE A 104 7.230 -3.989 -0.768 1.00 0.00 C ATOM 1554 CG1 ILE A 104 8.608 -3.957 -0.065 1.00 0.00 C ATOM 1555 CG2 ILE A 104 6.199 -4.747 0.094 1.00 0.00 C ATOM 1556 CD1 ILE A 104 8.597 -3.227 1.282 1.00 0.00 C ATOM 0 H ILE A 104 8.596 -2.975 -2.557 1.00 0.00 H new ATOM 0 HA ILE A 104 7.675 -5.633 -2.050 1.00 0.00 H new ATOM 0 HB ILE A 104 6.885 -2.961 -0.884 1.00 0.00 H new ATOM 0 HG12 ILE A 104 8.951 -4.980 0.089 1.00 0.00 H new ATOM 0 HG13 ILE A 104 9.330 -3.475 -0.723 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.146 -4.291 1.083 1.00 0.00 H new ATOM 0 HG22 ILE A 104 5.220 -4.697 -0.382 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.502 -5.790 0.191 1.00 0.00 H new ATOM 0 HD11 ILE A 104 9.597 -3.246 1.714 1.00 0.00 H new ATOM 0 HD12 ILE A 104 8.286 -2.193 1.133 1.00 0.00 H new ATOM 0 HD13 ILE A 104 7.900 -3.722 1.958 1.00 0.00 H new ATOM 1568 N SER A 105 5.545 -3.435 -3.356 1.00 0.00 N ATOM 1569 CA SER A 105 4.275 -3.238 -4.024 1.00 0.00 C ATOM 1570 C SER A 105 4.178 -4.108 -5.273 1.00 0.00 C ATOM 1571 O SER A 105 3.180 -4.804 -5.438 1.00 0.00 O ATOM 1572 CB SER A 105 4.103 -1.751 -4.362 1.00 0.00 C ATOM 1573 OG SER A 105 4.629 -0.963 -3.311 1.00 0.00 O ATOM 0 H SER A 105 6.078 -2.572 -3.248 1.00 0.00 H new ATOM 0 HA SER A 105 3.467 -3.541 -3.358 1.00 0.00 H new ATOM 0 HB2 SER A 105 4.614 -1.518 -5.296 1.00 0.00 H new ATOM 0 HB3 SER A 105 3.048 -1.521 -4.510 1.00 0.00 H new ATOM 0 HG SER A 105 3.929 -0.794 -2.646 1.00 0.00 H new ATOM 1579 N THR A 106 5.196 -4.123 -6.136 1.00 0.00 N ATOM 1580 CA THR A 106 5.137 -4.891 -7.366 1.00 0.00 C ATOM 1581 C THR A 106 5.101 -6.382 -7.068 1.00 0.00 C ATOM 1582 O THR A 106 4.221 -7.060 -7.590 1.00 0.00 O ATOM 1583 CB THR A 106 6.299 -4.522 -8.294 1.00 0.00 C ATOM 1584 OG1 THR A 106 7.522 -4.459 -7.589 1.00 0.00 O ATOM 1585 CG2 THR A 106 6.026 -3.164 -8.932 1.00 0.00 C ATOM 0 H THR A 106 6.067 -3.610 -6.000 1.00 0.00 H new ATOM 0 HA THR A 106 4.213 -4.640 -7.888 1.00 0.00 H new ATOM 0 HB THR A 106 6.379 -5.295 -9.058 1.00 0.00 H new ATOM 0 HG1 THR A 106 8.159 -3.907 -8.088 1.00 0.00 H new ATOM 0 HG21 THR A 106 6.852 -2.900 -9.593 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.102 -3.212 -9.508 1.00 0.00 H new ATOM 0 HG23 THR A 106 5.929 -2.409 -8.152 1.00 0.00 H new ATOM 1593 N GLU A 107 5.986 -6.900 -6.210 1.00 0.00 N ATOM 1594 CA GLU A 107 6.011 -8.326 -5.900 1.00 0.00 C ATOM 1595 C GLU A 107 4.653 -8.782 -5.356 1.00 0.00 C ATOM 1596 O GLU A 107 4.135 -9.819 -5.781 1.00 0.00 O ATOM 1597 CB GLU A 107 7.143 -8.654 -4.914 1.00 0.00 C ATOM 1598 CG GLU A 107 8.519 -8.637 -5.595 1.00 0.00 C ATOM 1599 CD GLU A 107 9.635 -9.082 -4.631 1.00 0.00 C ATOM 1600 OE1 GLU A 107 9.829 -10.306 -4.446 1.00 0.00 O ATOM 1601 OE2 GLU A 107 10.354 -8.226 -4.068 1.00 0.00 O ATOM 0 H GLU A 107 6.692 -6.351 -5.720 1.00 0.00 H new ATOM 0 HA GLU A 107 6.207 -8.874 -6.822 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.133 -7.932 -4.097 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.968 -9.636 -4.474 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.504 -9.295 -6.463 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.732 -7.632 -5.960 1.00 0.00 H new ATOM 1608 N LYS A 108 4.041 -7.993 -4.465 1.00 0.00 N ATOM 1609 CA LYS A 108 2.740 -8.339 -3.910 1.00 0.00 C ATOM 1610 C LYS A 108 1.643 -8.217 -4.965 1.00 0.00 C ATOM 1611 O LYS A 108 0.890 -9.171 -5.141 1.00 0.00 O ATOM 1612 CB LYS A 108 2.443 -7.506 -2.654 1.00 0.00 C ATOM 1613 CG LYS A 108 3.355 -7.918 -1.487 1.00 0.00 C ATOM 1614 CD LYS A 108 2.944 -7.251 -0.168 1.00 0.00 C ATOM 1615 CE LYS A 108 3.783 -7.850 0.969 1.00 0.00 C ATOM 1616 NZ LYS A 108 3.192 -7.604 2.303 1.00 0.00 N ATOM 0 H LYS A 108 4.429 -7.116 -4.118 1.00 0.00 H new ATOM 0 HA LYS A 108 2.762 -9.384 -3.601 1.00 0.00 H new ATOM 0 HB2 LYS A 108 2.585 -6.448 -2.874 1.00 0.00 H new ATOM 0 HB3 LYS A 108 1.399 -7.635 -2.367 1.00 0.00 H new ATOM 0 HG2 LYS A 108 3.325 -9.001 -1.369 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.386 -7.651 -1.722 1.00 0.00 H new ATOM 0 HD2 LYS A 108 3.099 -6.174 -0.225 1.00 0.00 H new ATOM 0 HD3 LYS A 108 1.882 -7.410 0.021 1.00 0.00 H new ATOM 0 HE2 LYS A 108 3.885 -8.924 0.813 1.00 0.00 H new ATOM 0 HE3 LYS A 108 4.787 -7.427 0.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 3.806 -8.014 3.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 3.103 -6.580 2.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.252 -8.045 2.353 1.00 0.00 H new ATOM 1630 N ILE A 109 1.534 -7.102 -5.692 1.00 0.00 N ATOM 1631 CA ILE A 109 0.446 -6.903 -6.655 1.00 0.00 C ATOM 1632 C ILE A 109 0.552 -7.953 -7.779 1.00 0.00 C ATOM 1633 O ILE A 109 -0.477 -8.503 -8.174 1.00 0.00 O ATOM 1634 CB ILE A 109 0.403 -5.435 -7.163 1.00 0.00 C ATOM 1635 CG1 ILE A 109 0.117 -4.443 -6.003 1.00 0.00 C ATOM 1636 CG2 ILE A 109 -0.706 -5.231 -8.221 1.00 0.00 C ATOM 1637 CD1 ILE A 109 0.448 -2.982 -6.345 1.00 0.00 C ATOM 0 H ILE A 109 2.187 -6.321 -5.632 1.00 0.00 H new ATOM 0 HA ILE A 109 -0.515 -7.060 -6.165 1.00 0.00 H new ATOM 0 HB ILE A 109 1.382 -5.240 -7.600 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -0.935 -4.513 -5.728 1.00 0.00 H new ATOM 0 HG13 ILE A 109 0.696 -4.743 -5.129 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -0.706 -4.193 -8.553 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -0.520 -5.884 -9.073 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -1.675 -5.472 -7.784 1.00 0.00 H new ATOM 0 HD11 ILE A 109 0.223 -2.348 -5.488 1.00 0.00 H new ATOM 0 HD12 ILE A 109 1.506 -2.897 -6.591 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.150 -2.664 -7.199 1.00 0.00 H new ATOM 1649 N LYS A 110 1.761 -8.307 -8.246 1.00 0.00 N ATOM 1650 CA LYS A 110 1.951 -9.382 -9.229 1.00 0.00 C ATOM 1651 C LYS A 110 1.338 -10.682 -8.707 1.00 0.00 C ATOM 1652 O LYS A 110 0.590 -11.334 -9.433 1.00 0.00 O ATOM 1653 CB LYS A 110 3.445 -9.617 -9.529 1.00 0.00 C ATOM 1654 CG LYS A 110 4.145 -8.556 -10.395 1.00 0.00 C ATOM 1655 CD LYS A 110 5.653 -8.858 -10.429 1.00 0.00 C ATOM 1656 CE LYS A 110 6.404 -7.893 -11.352 1.00 0.00 C ATOM 1657 NZ LYS A 110 7.854 -8.202 -11.442 1.00 0.00 N ATOM 0 H LYS A 110 2.629 -7.858 -7.953 1.00 0.00 H new ATOM 0 HA LYS A 110 1.456 -9.076 -10.150 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.977 -9.688 -8.580 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.546 -10.583 -10.024 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.736 -8.564 -11.405 1.00 0.00 H new ATOM 0 HG3 LYS A 110 3.969 -7.560 -9.988 1.00 0.00 H new ATOM 0 HD2 LYS A 110 6.061 -8.788 -9.421 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.811 -9.882 -10.767 1.00 0.00 H new ATOM 0 HE2 LYS A 110 5.965 -7.934 -12.349 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.275 -6.874 -10.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 8.315 -7.521 -12.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 8.282 -8.138 -10.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 7.981 -9.165 -11.815 1.00 0.00 H new ATOM 1786 N VAL A 118 3.046 -5.991 -13.404 1.00 0.00 N ATOM 1787 CA VAL A 118 3.290 -4.765 -12.664 1.00 0.00 C ATOM 1788 C VAL A 118 4.792 -4.492 -12.754 1.00 0.00 C ATOM 1789 O VAL A 118 5.577 -5.440 -12.687 1.00 0.00 O ATOM 1790 CB VAL A 118 2.864 -4.941 -11.184 1.00 0.00 C ATOM 1791 CG1 VAL A 118 2.561 -3.592 -10.521 1.00 0.00 C ATOM 1792 CG2 VAL A 118 1.646 -5.852 -10.958 1.00 0.00 C ATOM 0 HA VAL A 118 2.715 -3.935 -13.076 1.00 0.00 H new ATOM 0 HB VAL A 118 3.728 -5.426 -10.730 1.00 0.00 H new ATOM 0 HG11 VAL A 118 2.266 -3.754 -9.484 1.00 0.00 H new ATOM 0 HG12 VAL A 118 3.451 -2.964 -10.551 1.00 0.00 H new ATOM 0 HG13 VAL A 118 1.750 -3.098 -11.056 1.00 0.00 H new ATOM 0 HG21 VAL A 118 1.428 -5.910 -9.892 1.00 0.00 H new ATOM 0 HG22 VAL A 118 0.783 -5.442 -11.483 1.00 0.00 H new ATOM 0 HG23 VAL A 118 1.862 -6.850 -11.339 1.00 0.00 H new ATOM 1802 N THR A 119 5.208 -3.235 -12.850 1.00 0.00 N ATOM 1803 CA THR A 119 6.612 -2.843 -12.855 1.00 0.00 C ATOM 1804 C THR A 119 6.809 -1.618 -11.956 1.00 0.00 C ATOM 1805 O THR A 119 5.844 -0.975 -11.536 1.00 0.00 O ATOM 1806 CB THR A 119 7.081 -2.609 -14.309 1.00 0.00 C ATOM 1807 OG1 THR A 119 6.142 -1.832 -15.033 1.00 0.00 O ATOM 1808 CG2 THR A 119 7.280 -3.932 -15.052 1.00 0.00 C ATOM 0 H THR A 119 4.567 -2.445 -12.928 1.00 0.00 H new ATOM 0 HA THR A 119 7.233 -3.640 -12.445 1.00 0.00 H new ATOM 0 HB THR A 119 8.031 -2.078 -14.246 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.284 -0.882 -14.838 1.00 0.00 H new ATOM 0 HG21 THR A 119 7.610 -3.731 -16.071 1.00 0.00 H new ATOM 0 HG22 THR A 119 8.034 -4.528 -14.538 1.00 0.00 H new ATOM 0 HG23 THR A 119 6.338 -4.480 -15.077 1.00 0.00 H new ATOM 1816 N TRP A 120 8.062 -1.288 -11.656 1.00 0.00 N ATOM 1817 CA TRP A 120 8.456 -0.052 -10.995 1.00 0.00 C ATOM 1818 C TRP A 120 9.728 0.436 -11.689 1.00 0.00 C ATOM 1819 O TRP A 120 10.357 -0.328 -12.431 1.00 0.00 O ATOM 1820 CB TRP A 120 8.670 -0.259 -9.486 1.00 0.00 C ATOM 1821 CG TRP A 120 9.812 -1.126 -9.046 1.00 0.00 C ATOM 1822 CD1 TRP A 120 9.904 -2.464 -9.213 1.00 0.00 C ATOM 1823 CD2 TRP A 120 11.026 -0.737 -8.326 1.00 0.00 C ATOM 1824 NE1 TRP A 120 11.068 -2.932 -8.642 1.00 0.00 N ATOM 1825 CE2 TRP A 120 11.796 -1.913 -8.069 1.00 0.00 C ATOM 1826 CE3 TRP A 120 11.556 0.487 -7.859 1.00 0.00 C ATOM 1827 CZ2 TRP A 120 13.014 -1.878 -7.374 1.00 0.00 C ATOM 1828 CZ3 TRP A 120 12.772 0.530 -7.151 1.00 0.00 C ATOM 1829 CH2 TRP A 120 13.501 -0.647 -6.906 1.00 0.00 C ATOM 0 H TRP A 120 8.854 -1.893 -11.874 1.00 0.00 H new ATOM 0 HA TRP A 120 7.667 0.696 -11.077 1.00 0.00 H new ATOM 0 HB2 TRP A 120 8.802 0.722 -9.030 1.00 0.00 H new ATOM 0 HB3 TRP A 120 7.753 -0.681 -9.074 1.00 0.00 H new ATOM 0 HD1 TRP A 120 9.173 -3.077 -9.719 1.00 0.00 H new ATOM 0 HE1 TRP A 120 11.354 -3.911 -8.644 1.00 0.00 H new ATOM 0 HE3 TRP A 120 11.019 1.405 -8.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 13.571 -2.787 -7.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 13.149 1.477 -6.792 1.00 0.00 H new ATOM 0 HH2 TRP A 120 14.432 -0.604 -6.360 1.00 0.00 H new