USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 652 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 44 TYR OH : rot 180:sc= 0.23 USER MOD Set 1.2: A 48 LYS NZ :NH3+ -128:sc= 1.18 (180deg=-0.209) USER MOD Set 2.1: A 16 HIS : no HD1:sc= -0.0873 X(o=-0.37,f=-0.74) USER MOD Set 2.2: A 21 ASN : amide:sc= -0.287 X(o=-0.37,f=-0.087) USER MOD Set 3.1: A 10 TYR OH : rot -74:sc= 0.261 USER MOD Set 3.2: A 14 GLN : amide:sc=-0.00018 X(o=0.22,f=-0.28) USER MOD Set 3.3: A 45 HIS : no HD1:sc= -0.0452 K(o=0.22,f=-0.89) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 167:sc= 0.584 (180deg=0.456) USER MOD Single : A 19 HIS : no HD1:sc= -0.357 X(o=-0.36,f=0.075) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -78:sc= 0.164 USER MOD Single : A 39 TYR OH : rot -17:sc= -0.244 USER MOD Single : A 42 THR OG1 : rot 152:sc= -1.59 USER MOD Single : A 43 TYR OH : rot -149:sc= -0.17 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 164:sc= 1.18 USER MOD Single : A 63 TYR OH : rot -163:sc= 0.356 USER MOD Single : A 65 GLN : amide:sc= -0.939 K(o=-0.94,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -1.76! USER MOD Single : A 76 GLN : amide:sc= -0.213 K(o=-0.21,f=-1.9!) USER MOD Single : A 77 LYS NZ :NH3+ 135:sc= 1.11 (180deg=-0.486) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.414 X(o=-0.41,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 144:sc= -0.278 (180deg=-0.747) USER MOD ----------------------------------------------------------------- ATOM 71 N PRO A 6 -10.577 1.228 9.515 1.00 0.00 N ATOM 72 CA PRO A 6 -9.497 1.288 8.500 1.00 0.00 C ATOM 73 C PRO A 6 -8.086 1.133 9.108 1.00 0.00 C ATOM 74 O PRO A 6 -7.323 0.268 8.673 1.00 0.00 O ATOM 75 CB PRO A 6 -9.695 2.675 7.819 1.00 0.00 C ATOM 76 CG PRO A 6 -10.543 3.453 8.776 1.00 0.00 C ATOM 77 CD PRO A 6 -11.442 2.436 9.429 1.00 0.00 C ATOM 0 HA PRO A 6 -9.562 0.461 7.793 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.740 3.170 7.644 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -10.183 2.574 6.850 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -9.930 3.968 9.515 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.124 4.215 8.257 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -11.774 2.765 10.414 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.337 2.249 8.836 1.00 0.00 H new ATOM 85 N PHE A 7 -7.768 1.942 10.132 1.00 0.00 N ATOM 86 CA PHE A 7 -6.440 1.913 10.782 1.00 0.00 C ATOM 87 C PHE A 7 -6.215 0.600 11.548 1.00 0.00 C ATOM 88 O PHE A 7 -5.078 0.140 11.649 1.00 0.00 O ATOM 89 CB PHE A 7 -6.239 3.129 11.724 1.00 0.00 C ATOM 90 CG PHE A 7 -4.842 3.195 12.368 1.00 0.00 C ATOM 91 CD1 PHE A 7 -3.703 3.375 11.576 1.00 0.00 C ATOM 92 CD2 PHE A 7 -4.663 3.050 13.746 1.00 0.00 C ATOM 93 CE1 PHE A 7 -2.440 3.412 12.137 1.00 0.00 C ATOM 94 CE2 PHE A 7 -3.396 3.094 14.303 1.00 0.00 C ATOM 95 CZ PHE A 7 -2.286 3.271 13.499 1.00 0.00 C ATOM 0 H PHE A 7 -8.411 2.626 10.531 1.00 0.00 H new ATOM 0 HA PHE A 7 -5.697 1.974 9.987 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -6.412 4.046 11.160 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -6.991 3.093 12.513 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.812 3.487 10.507 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -5.522 2.902 14.384 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -1.574 3.551 11.507 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.275 2.989 15.371 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.299 3.299 13.938 1.00 0.00 H new ATOM 105 N THR A 8 -7.300 0.006 12.072 1.00 0.00 N ATOM 106 CA THR A 8 -7.220 -1.243 12.843 1.00 0.00 C ATOM 107 C THR A 8 -6.773 -2.410 11.949 1.00 0.00 C ATOM 108 O THR A 8 -5.851 -3.129 12.307 1.00 0.00 O ATOM 109 CB THR A 8 -8.575 -1.581 13.548 1.00 0.00 C ATOM 110 OG1 THR A 8 -8.887 -0.534 14.480 1.00 0.00 O ATOM 111 CG2 THR A 8 -8.551 -2.934 14.290 1.00 0.00 C ATOM 0 H THR A 8 -8.246 0.374 11.974 1.00 0.00 H new ATOM 0 HA THR A 8 -6.472 -1.093 13.622 1.00 0.00 H new ATOM 0 HB THR A 8 -9.335 -1.659 12.771 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.736 -0.736 14.926 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.520 -3.110 14.758 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.340 -3.734 13.581 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.776 -2.915 15.057 1.00 0.00 H new ATOM 119 N ARG A 9 -7.424 -2.571 10.776 1.00 0.00 N ATOM 120 CA ARG A 9 -7.102 -3.657 9.813 1.00 0.00 C ATOM 121 C ARG A 9 -5.796 -3.369 9.052 1.00 0.00 C ATOM 122 O ARG A 9 -5.140 -4.292 8.584 1.00 0.00 O ATOM 123 CB ARG A 9 -8.285 -3.906 8.848 1.00 0.00 C ATOM 124 CG ARG A 9 -8.632 -2.750 7.869 1.00 0.00 C ATOM 125 CD ARG A 9 -10.152 -2.578 7.676 1.00 0.00 C ATOM 126 NE ARG A 9 -10.501 -1.910 6.412 1.00 0.00 N ATOM 127 CZ ARG A 9 -11.503 -2.288 5.611 1.00 0.00 C ATOM 128 NH1 ARG A 9 -12.276 -3.310 5.941 1.00 0.00 N ATOM 129 NH2 ARG A 9 -11.727 -1.646 4.482 1.00 0.00 N ATOM 0 H ARG A 9 -8.181 -1.960 10.468 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.942 -4.572 10.382 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.065 -4.797 8.260 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -9.171 -4.127 9.443 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -8.209 -1.819 8.246 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -8.166 -2.944 6.903 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.629 -3.557 7.706 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -10.555 -2.001 8.508 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.942 -1.106 6.128 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.110 -3.815 6.811 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -13.038 -3.593 5.325 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.135 -0.858 4.217 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.492 -1.937 3.873 1.00 0.00 H new ATOM 143 N TYR A 10 -5.459 -2.071 8.918 1.00 0.00 N ATOM 144 CA TYR A 10 -4.161 -1.609 8.382 1.00 0.00 C ATOM 145 C TYR A 10 -3.015 -2.069 9.306 1.00 0.00 C ATOM 146 O TYR A 10 -2.023 -2.640 8.843 1.00 0.00 O ATOM 147 CB TYR A 10 -4.182 -0.057 8.236 1.00 0.00 C ATOM 148 CG TYR A 10 -2.821 0.607 7.953 1.00 0.00 C ATOM 149 CD1 TYR A 10 -2.223 0.538 6.693 1.00 0.00 C ATOM 150 CD2 TYR A 10 -2.142 1.313 8.953 1.00 0.00 C ATOM 151 CE1 TYR A 10 -1.003 1.140 6.449 1.00 0.00 C ATOM 152 CE2 TYR A 10 -0.926 1.913 8.709 1.00 0.00 C ATOM 153 CZ TYR A 10 -0.363 1.828 7.458 1.00 0.00 C ATOM 154 OH TYR A 10 0.849 2.433 7.217 1.00 0.00 O ATOM 0 H TYR A 10 -6.083 -1.308 9.180 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.993 -2.045 7.397 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.867 0.204 7.430 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.590 0.370 9.152 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.722 0.006 5.897 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.581 1.389 9.937 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.552 1.072 5.470 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.417 2.448 9.497 1.00 0.00 H new ATOM 0 HH TYR A 10 1.549 1.750 7.154 1.00 0.00 H new ATOM 164 N ALA A 11 -3.198 -1.824 10.611 1.00 0.00 N ATOM 165 CA ALA A 11 -2.224 -2.178 11.653 1.00 0.00 C ATOM 166 C ALA A 11 -2.189 -3.704 11.871 1.00 0.00 C ATOM 167 O ALA A 11 -1.130 -4.274 12.129 1.00 0.00 O ATOM 168 CB ALA A 11 -2.567 -1.440 12.956 1.00 0.00 C ATOM 0 H ALA A 11 -4.035 -1.370 10.977 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.230 -1.869 11.330 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.842 -1.705 13.726 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.536 -0.364 12.784 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.566 -1.726 13.284 1.00 0.00 H new ATOM 174 N LEU A 12 -3.370 -4.340 11.740 1.00 0.00 N ATOM 175 CA LEU A 12 -3.546 -5.803 11.857 1.00 0.00 C ATOM 176 C LEU A 12 -2.871 -6.514 10.674 1.00 0.00 C ATOM 177 O LEU A 12 -2.343 -7.611 10.827 1.00 0.00 O ATOM 178 CB LEU A 12 -5.059 -6.164 11.926 1.00 0.00 C ATOM 179 CG LEU A 12 -5.433 -7.684 12.004 1.00 0.00 C ATOM 180 CD1 LEU A 12 -4.795 -8.381 13.230 1.00 0.00 C ATOM 181 CD2 LEU A 12 -6.971 -7.879 11.985 1.00 0.00 C ATOM 0 H LEU A 12 -4.241 -3.846 11.547 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.073 -6.141 12.779 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.485 -5.667 12.798 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.547 -5.741 11.048 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.018 -8.163 11.117 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.083 -9.432 13.241 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.710 -8.302 13.169 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.143 -7.900 14.144 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.204 -8.942 12.040 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.413 -7.366 12.839 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.379 -7.466 11.062 1.00 0.00 H new ATOM 193 N ALA A 13 -2.890 -5.860 9.503 1.00 0.00 N ATOM 194 CA ALA A 13 -2.189 -6.335 8.298 1.00 0.00 C ATOM 195 C ALA A 13 -0.670 -6.334 8.530 1.00 0.00 C ATOM 196 O ALA A 13 0.023 -7.259 8.120 1.00 0.00 O ATOM 197 CB ALA A 13 -2.560 -5.481 7.076 1.00 0.00 C ATOM 0 H ALA A 13 -3.393 -4.984 9.363 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.505 -7.359 8.096 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.030 -5.851 6.199 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.634 -5.541 6.903 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.279 -4.444 7.258 1.00 0.00 H new ATOM 203 N GLN A 14 -0.179 -5.292 9.219 1.00 0.00 N ATOM 204 CA GLN A 14 1.240 -5.179 9.623 1.00 0.00 C ATOM 205 C GLN A 14 1.617 -6.276 10.643 1.00 0.00 C ATOM 206 O GLN A 14 2.747 -6.780 10.626 1.00 0.00 O ATOM 207 CB GLN A 14 1.517 -3.759 10.179 1.00 0.00 C ATOM 208 CG GLN A 14 1.231 -2.637 9.157 1.00 0.00 C ATOM 209 CD GLN A 14 1.436 -1.215 9.697 1.00 0.00 C ATOM 210 OE1 GLN A 14 1.251 -0.944 10.881 1.00 0.00 O ATOM 211 NE2 GLN A 14 1.828 -0.292 8.831 1.00 0.00 N ATOM 0 H GLN A 14 -0.751 -4.501 9.514 1.00 0.00 H new ATOM 0 HA GLN A 14 1.870 -5.331 8.747 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.905 -3.598 11.066 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.558 -3.697 10.495 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.877 -2.779 8.290 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.203 -2.735 8.808 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.975 -0.540 7.853 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.983 0.667 9.143 1.00 0.00 H new ATOM 220 N GLU A 15 0.652 -6.652 11.513 1.00 0.00 N ATOM 221 CA GLU A 15 0.814 -7.794 12.433 1.00 0.00 C ATOM 222 C GLU A 15 0.950 -9.095 11.625 1.00 0.00 C ATOM 223 O GLU A 15 1.836 -9.893 11.892 1.00 0.00 O ATOM 224 CB GLU A 15 -0.375 -7.913 13.432 1.00 0.00 C ATOM 225 CG GLU A 15 -0.639 -6.662 14.289 1.00 0.00 C ATOM 226 CD GLU A 15 0.588 -6.189 15.079 1.00 0.00 C ATOM 227 OE1 GLU A 15 0.908 -6.797 16.123 1.00 0.00 O ATOM 228 OE2 GLU A 15 1.240 -5.211 14.662 1.00 0.00 O ATOM 0 H GLU A 15 -0.248 -6.178 11.595 1.00 0.00 H new ATOM 0 HA GLU A 15 1.718 -7.623 13.018 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.279 -8.146 12.870 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.187 -8.756 14.097 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.978 -5.853 13.642 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.450 -6.874 14.986 1.00 0.00 H new ATOM 235 N HIS A 16 0.070 -9.261 10.615 1.00 0.00 N ATOM 236 CA HIS A 16 0.066 -10.439 9.723 1.00 0.00 C ATOM 237 C HIS A 16 1.401 -10.580 8.979 1.00 0.00 C ATOM 238 O HIS A 16 1.916 -11.680 8.859 1.00 0.00 O ATOM 239 CB HIS A 16 -1.117 -10.391 8.718 1.00 0.00 C ATOM 240 CG HIS A 16 -2.457 -10.737 9.314 1.00 0.00 C ATOM 241 ND1 HIS A 16 -2.748 -11.987 9.824 1.00 0.00 N ATOM 242 CD2 HIS A 16 -3.580 -10.007 9.478 1.00 0.00 C ATOM 243 CE1 HIS A 16 -3.986 -11.999 10.270 1.00 0.00 C ATOM 244 NE2 HIS A 16 -4.508 -10.811 10.073 1.00 0.00 N ATOM 0 H HIS A 16 -0.658 -8.581 10.395 1.00 0.00 H new ATOM 0 HA HIS A 16 -0.066 -11.318 10.354 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -1.172 -9.391 8.288 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -0.909 -11.079 7.899 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -3.719 -8.975 9.191 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.487 -12.843 10.721 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -5.457 -10.533 10.325 1.00 0.00 H new ATOM 253 N LEU A 17 1.961 -9.452 8.519 1.00 0.00 N ATOM 254 CA LEU A 17 3.277 -9.413 7.850 1.00 0.00 C ATOM 255 C LEU A 17 4.368 -10.031 8.754 1.00 0.00 C ATOM 256 O LEU A 17 5.107 -10.926 8.332 1.00 0.00 O ATOM 257 CB LEU A 17 3.636 -7.948 7.466 1.00 0.00 C ATOM 258 CG LEU A 17 2.807 -7.334 6.291 1.00 0.00 C ATOM 259 CD1 LEU A 17 3.067 -5.818 6.128 1.00 0.00 C ATOM 260 CD2 LEU A 17 3.083 -8.092 4.971 1.00 0.00 C ATOM 0 H LEU A 17 1.516 -8.537 8.599 1.00 0.00 H new ATOM 0 HA LEU A 17 3.225 -10.007 6.938 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.506 -7.319 8.346 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.692 -7.910 7.200 1.00 0.00 H new ATOM 0 HG LEU A 17 1.752 -7.451 6.540 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.471 -5.433 5.301 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.790 -5.300 7.046 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.124 -5.650 5.922 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.496 -7.648 4.167 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.143 -8.023 4.727 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.805 -9.139 5.088 1.00 0.00 H new ATOM 272 N LYS A 18 4.390 -9.585 10.020 1.00 0.00 N ATOM 273 CA LYS A 18 5.365 -10.043 11.030 1.00 0.00 C ATOM 274 C LYS A 18 5.108 -11.513 11.451 1.00 0.00 C ATOM 275 O LYS A 18 6.047 -12.240 11.793 1.00 0.00 O ATOM 276 CB LYS A 18 5.319 -9.097 12.257 1.00 0.00 C ATOM 277 CG LYS A 18 5.727 -7.635 11.938 1.00 0.00 C ATOM 278 CD LYS A 18 5.645 -6.696 13.166 1.00 0.00 C ATOM 279 CE LYS A 18 4.211 -6.511 13.681 1.00 0.00 C ATOM 280 NZ LYS A 18 4.157 -5.650 14.890 1.00 0.00 N ATOM 0 H LYS A 18 3.730 -8.893 10.376 1.00 0.00 H new ATOM 0 HA LYS A 18 6.361 -10.011 10.589 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.310 -9.101 12.669 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.980 -9.488 13.030 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.745 -7.626 11.549 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.081 -7.248 11.150 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.264 -7.099 13.967 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.059 -5.723 12.902 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.598 -6.070 12.895 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.781 -7.486 13.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.172 -5.372 15.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.527 -6.176 15.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.734 -4.799 14.736 1.00 0.00 H new ATOM 294 N HIS A 19 3.828 -11.936 11.418 1.00 0.00 N ATOM 295 CA HIS A 19 3.408 -13.331 11.735 1.00 0.00 C ATOM 296 C HIS A 19 3.412 -14.236 10.476 1.00 0.00 C ATOM 297 O HIS A 19 2.812 -15.315 10.492 1.00 0.00 O ATOM 298 CB HIS A 19 1.998 -13.329 12.387 1.00 0.00 C ATOM 299 CG HIS A 19 1.961 -12.832 13.815 1.00 0.00 C ATOM 300 ND1 HIS A 19 1.609 -13.635 14.878 1.00 0.00 N ATOM 301 CD2 HIS A 19 2.209 -11.613 14.349 1.00 0.00 C ATOM 302 CE1 HIS A 19 1.641 -12.934 15.986 1.00 0.00 C ATOM 303 NE2 HIS A 19 2.003 -11.704 15.695 1.00 0.00 N ATOM 0 H HIS A 19 3.050 -11.325 11.171 1.00 0.00 H new ATOM 0 HA HIS A 19 4.133 -13.742 12.438 1.00 0.00 H new ATOM 0 HB2 HIS A 19 1.335 -12.709 11.784 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.599 -14.343 12.359 1.00 0.00 H new ATOM 0 HD2 HIS A 19 2.514 -10.729 13.808 1.00 0.00 H new ATOM 0 HE1 HIS A 19 1.409 -13.305 16.973 1.00 0.00 H new ATOM 0 HE2 HIS A 19 2.112 -10.943 16.365 1.00 0.00 H new ATOM 312 N ASP A 20 4.063 -13.759 9.384 1.00 0.00 N ATOM 313 CA ASP A 20 4.279 -14.519 8.116 1.00 0.00 C ATOM 314 C ASP A 20 2.961 -14.738 7.305 1.00 0.00 C ATOM 315 O ASP A 20 2.958 -15.380 6.248 1.00 0.00 O ATOM 316 CB ASP A 20 5.044 -15.859 8.387 1.00 0.00 C ATOM 317 CG ASP A 20 5.473 -16.609 7.109 1.00 0.00 C ATOM 318 OD1 ASP A 20 6.315 -16.081 6.345 1.00 0.00 O ATOM 319 OD2 ASP A 20 4.973 -17.726 6.854 1.00 0.00 O ATOM 0 H ASP A 20 4.461 -12.820 9.355 1.00 0.00 H new ATOM 0 HA ASP A 20 4.912 -13.902 7.479 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.930 -15.645 8.984 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.408 -16.514 8.983 1.00 0.00 H new ATOM 324 N ASN A 21 1.855 -14.157 7.782 1.00 0.00 N ATOM 325 CA ASN A 21 0.542 -14.194 7.108 1.00 0.00 C ATOM 326 C ASN A 21 0.437 -13.033 6.087 1.00 0.00 C ATOM 327 O ASN A 21 -0.517 -12.243 6.115 1.00 0.00 O ATOM 328 CB ASN A 21 -0.589 -14.105 8.177 1.00 0.00 C ATOM 329 CG ASN A 21 -0.571 -15.217 9.225 1.00 0.00 C ATOM 330 OD1 ASN A 21 -0.903 -14.987 10.389 1.00 0.00 O ATOM 331 ND2 ASN A 21 -0.221 -16.431 8.824 1.00 0.00 N ATOM 0 H ASN A 21 1.841 -13.639 8.660 1.00 0.00 H new ATOM 0 HA ASN A 21 0.434 -15.132 6.563 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.513 -13.144 8.686 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.553 -14.121 7.668 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.222 -17.207 9.486 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.049 -16.589 7.853 1.00 0.00 H new ATOM 338 N ALA A 22 1.411 -12.966 5.158 1.00 0.00 N ATOM 339 CA ALA A 22 1.530 -11.870 4.177 1.00 0.00 C ATOM 340 C ALA A 22 0.331 -11.842 3.201 1.00 0.00 C ATOM 341 O ALA A 22 -0.077 -10.771 2.765 1.00 0.00 O ATOM 342 CB ALA A 22 2.857 -11.995 3.414 1.00 0.00 C ATOM 0 H ALA A 22 2.140 -13.674 5.067 1.00 0.00 H new ATOM 0 HA ALA A 22 1.521 -10.925 4.720 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.939 -11.183 2.691 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.688 -11.940 4.117 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.887 -12.951 2.891 1.00 0.00 H new ATOM 348 N SER A 23 -0.203 -13.029 2.860 1.00 0.00 N ATOM 349 CA SER A 23 -1.418 -13.174 2.028 1.00 0.00 C ATOM 350 C SER A 23 -2.671 -12.581 2.714 1.00 0.00 C ATOM 351 O SER A 23 -3.510 -11.956 2.048 1.00 0.00 O ATOM 352 CB SER A 23 -1.640 -14.660 1.682 1.00 0.00 C ATOM 353 OG SER A 23 -0.505 -15.203 1.024 1.00 0.00 O ATOM 0 H SER A 23 0.196 -13.921 3.154 1.00 0.00 H new ATOM 0 HA SER A 23 -1.262 -12.607 1.110 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.841 -15.223 2.593 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.518 -14.762 1.044 1.00 0.00 H new ATOM 0 HG SER A 23 -0.668 -16.147 0.816 1.00 0.00 H new ATOM 359 N ARG A 24 -2.783 -12.765 4.049 1.00 0.00 N ATOM 360 CA ARG A 24 -3.897 -12.196 4.845 1.00 0.00 C ATOM 361 C ARG A 24 -3.728 -10.673 4.997 1.00 0.00 C ATOM 362 O ARG A 24 -4.710 -9.931 5.045 1.00 0.00 O ATOM 363 CB ARG A 24 -3.953 -12.875 6.243 1.00 0.00 C ATOM 364 CG ARG A 24 -4.148 -14.405 6.208 1.00 0.00 C ATOM 365 CD ARG A 24 -5.477 -14.841 5.569 1.00 0.00 C ATOM 366 NE ARG A 24 -5.615 -16.317 5.554 1.00 0.00 N ATOM 367 CZ ARG A 24 -6.619 -17.008 4.977 1.00 0.00 C ATOM 368 NH1 ARG A 24 -7.595 -16.387 4.330 1.00 0.00 N ATOM 369 NH2 ARG A 24 -6.630 -18.330 5.043 1.00 0.00 N ATOM 0 H ARG A 24 -2.115 -13.304 4.600 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.834 -12.388 4.322 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.030 -12.652 6.778 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.768 -12.431 6.815 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.324 -14.856 5.655 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.099 -14.793 7.226 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.308 -14.403 6.121 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.534 -14.459 4.550 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.887 -16.857 6.021 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.595 -15.369 4.262 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.346 -16.927 3.900 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.881 -18.823 5.529 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.388 -18.856 4.608 1.00 0.00 H new ATOM 383 N ALA A 25 -2.456 -10.236 5.077 1.00 0.00 N ATOM 384 CA ALA A 25 -2.081 -8.812 5.098 1.00 0.00 C ATOM 385 C ALA A 25 -2.437 -8.147 3.765 1.00 0.00 C ATOM 386 O ALA A 25 -2.971 -7.038 3.742 1.00 0.00 O ATOM 387 CB ALA A 25 -0.579 -8.669 5.381 1.00 0.00 C ATOM 0 H ALA A 25 -1.656 -10.867 5.129 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.638 -8.314 5.892 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.310 -7.613 5.395 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.347 -9.115 6.348 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.012 -9.178 4.601 1.00 0.00 H new ATOM 393 N LEU A 26 -2.191 -8.895 2.667 1.00 0.00 N ATOM 394 CA LEU A 26 -2.442 -8.441 1.289 1.00 0.00 C ATOM 395 C LEU A 26 -3.940 -8.188 1.119 1.00 0.00 C ATOM 396 O LEU A 26 -4.349 -7.159 0.603 1.00 0.00 O ATOM 397 CB LEU A 26 -1.949 -9.509 0.266 1.00 0.00 C ATOM 398 CG LEU A 26 -1.960 -9.088 -1.239 1.00 0.00 C ATOM 399 CD1 LEU A 26 -0.869 -8.037 -1.545 1.00 0.00 C ATOM 400 CD2 LEU A 26 -1.814 -10.318 -2.165 1.00 0.00 C ATOM 0 H LEU A 26 -1.809 -9.839 2.717 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.892 -7.519 1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.931 -9.794 0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.569 -10.399 0.376 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.927 -8.627 -1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.908 -7.769 -2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.040 -7.148 -0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.112 -8.452 -1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.825 -9.993 -3.206 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.872 -10.824 -1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.642 -11.005 -1.990 1.00 0.00 H new ATOM 412 N ALA A 27 -4.730 -9.150 1.631 1.00 0.00 N ATOM 413 CA ALA A 27 -6.197 -9.112 1.628 1.00 0.00 C ATOM 414 C ALA A 27 -6.753 -7.868 2.350 1.00 0.00 C ATOM 415 O ALA A 27 -7.643 -7.202 1.827 1.00 0.00 O ATOM 416 CB ALA A 27 -6.742 -10.400 2.259 1.00 0.00 C ATOM 0 H ALA A 27 -4.354 -9.992 2.067 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.530 -9.043 0.593 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.832 -10.373 2.257 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.399 -11.260 1.684 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.383 -10.483 3.285 1.00 0.00 H new ATOM 422 N LEU A 28 -6.206 -7.566 3.552 1.00 0.00 N ATOM 423 CA LEU A 28 -6.638 -6.399 4.357 1.00 0.00 C ATOM 424 C LEU A 28 -6.298 -5.067 3.670 1.00 0.00 C ATOM 425 O LEU A 28 -7.077 -4.113 3.760 1.00 0.00 O ATOM 426 CB LEU A 28 -6.032 -6.437 5.786 1.00 0.00 C ATOM 427 CG LEU A 28 -6.479 -7.631 6.687 1.00 0.00 C ATOM 428 CD1 LEU A 28 -5.884 -7.512 8.108 1.00 0.00 C ATOM 429 CD2 LEU A 28 -8.021 -7.757 6.738 1.00 0.00 C ATOM 0 H LEU A 28 -5.464 -8.115 3.985 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.723 -6.465 4.441 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.946 -6.461 5.698 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.291 -5.508 6.294 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.089 -8.544 6.236 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.213 -8.358 8.712 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.796 -7.511 8.048 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.223 -6.584 8.568 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.296 -8.598 7.374 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.448 -6.840 7.144 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.406 -7.922 5.732 1.00 0.00 H new ATOM 441 N PHE A 29 -5.137 -5.011 2.991 1.00 0.00 N ATOM 442 CA PHE A 29 -4.718 -3.821 2.231 1.00 0.00 C ATOM 443 C PHE A 29 -5.619 -3.617 0.988 1.00 0.00 C ATOM 444 O PHE A 29 -6.045 -2.501 0.701 1.00 0.00 O ATOM 445 CB PHE A 29 -3.223 -3.912 1.819 1.00 0.00 C ATOM 446 CG PHE A 29 -2.198 -3.778 2.956 1.00 0.00 C ATOM 447 CD1 PHE A 29 -2.309 -2.757 3.906 1.00 0.00 C ATOM 448 CD2 PHE A 29 -1.123 -4.664 3.073 1.00 0.00 C ATOM 449 CE1 PHE A 29 -1.379 -2.628 4.924 1.00 0.00 C ATOM 450 CE2 PHE A 29 -0.195 -4.533 4.092 1.00 0.00 C ATOM 451 CZ PHE A 29 -0.327 -3.519 5.021 1.00 0.00 C ATOM 0 H PHE A 29 -4.470 -5.782 2.954 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.831 -2.954 2.882 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.062 -4.869 1.323 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.022 -3.134 1.083 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.131 -2.060 3.845 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.015 -5.464 2.356 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.476 -1.829 5.644 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.632 -5.224 4.161 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.391 -3.423 5.822 1.00 0.00 H new ATOM 461 N GLU A 30 -5.915 -4.710 0.266 1.00 0.00 N ATOM 462 CA GLU A 30 -6.853 -4.692 -0.884 1.00 0.00 C ATOM 463 C GLU A 30 -8.264 -4.264 -0.437 1.00 0.00 C ATOM 464 O GLU A 30 -8.980 -3.578 -1.173 1.00 0.00 O ATOM 465 CB GLU A 30 -6.912 -6.090 -1.558 1.00 0.00 C ATOM 466 CG GLU A 30 -5.605 -6.535 -2.236 1.00 0.00 C ATOM 467 CD GLU A 30 -5.705 -7.949 -2.831 1.00 0.00 C ATOM 468 OE1 GLU A 30 -5.536 -8.936 -2.085 1.00 0.00 O ATOM 469 OE2 GLU A 30 -5.981 -8.078 -4.042 1.00 0.00 O ATOM 0 H GLU A 30 -5.517 -5.630 0.456 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.484 -3.965 -1.607 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.184 -6.830 -0.805 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.708 -6.085 -2.303 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.350 -5.829 -3.026 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.794 -6.506 -1.509 1.00 0.00 H new ATOM 476 N GLU A 31 -8.626 -4.657 0.793 1.00 0.00 N ATOM 477 CA GLU A 31 -9.935 -4.370 1.386 1.00 0.00 C ATOM 478 C GLU A 31 -10.029 -2.884 1.782 1.00 0.00 C ATOM 479 O GLU A 31 -11.095 -2.261 1.663 1.00 0.00 O ATOM 480 CB GLU A 31 -10.158 -5.295 2.601 1.00 0.00 C ATOM 481 CG GLU A 31 -11.570 -5.253 3.200 1.00 0.00 C ATOM 482 CD GLU A 31 -11.791 -6.337 4.263 1.00 0.00 C ATOM 483 OE1 GLU A 31 -11.350 -6.154 5.416 1.00 0.00 O ATOM 484 OE2 GLU A 31 -12.386 -7.389 3.941 1.00 0.00 O ATOM 0 H GLU A 31 -8.010 -5.188 1.408 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.720 -4.563 0.655 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.937 -6.320 2.303 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.442 -5.027 3.378 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.744 -4.273 3.644 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.303 -5.376 2.403 1.00 0.00 H new ATOM 491 N LEU A 32 -8.889 -2.332 2.234 1.00 0.00 N ATOM 492 CA LEU A 32 -8.733 -0.893 2.507 1.00 0.00 C ATOM 493 C LEU A 32 -9.026 -0.071 1.241 1.00 0.00 C ATOM 494 O LEU A 32 -9.821 0.857 1.292 1.00 0.00 O ATOM 495 CB LEU A 32 -7.298 -0.584 3.023 1.00 0.00 C ATOM 496 CG LEU A 32 -6.984 -0.962 4.508 1.00 0.00 C ATOM 497 CD1 LEU A 32 -5.468 -0.947 4.793 1.00 0.00 C ATOM 498 CD2 LEU A 32 -7.702 -0.010 5.477 1.00 0.00 C ATOM 0 H LEU A 32 -8.046 -2.875 2.421 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.448 -0.614 3.281 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.587 -1.106 2.382 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.115 0.483 2.899 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.351 -1.977 4.664 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.291 -1.215 5.835 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.969 -1.666 4.144 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.072 0.050 4.602 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.469 -0.292 6.504 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.369 1.012 5.297 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.779 -0.074 5.319 1.00 0.00 H new ATOM 510 N VAL A 33 -8.393 -0.460 0.117 1.00 0.00 N ATOM 511 CA VAL A 33 -8.492 0.262 -1.174 1.00 0.00 C ATOM 512 C VAL A 33 -9.938 0.273 -1.716 1.00 0.00 C ATOM 513 O VAL A 33 -10.470 1.339 -2.048 1.00 0.00 O ATOM 514 CB VAL A 33 -7.531 -0.361 -2.265 1.00 0.00 C ATOM 515 CG1 VAL A 33 -7.690 0.326 -3.649 1.00 0.00 C ATOM 516 CG2 VAL A 33 -6.061 -0.306 -1.798 1.00 0.00 C ATOM 0 H VAL A 33 -7.796 -1.286 0.075 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.184 1.288 -0.974 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.821 -1.405 -2.386 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.010 -0.136 -4.365 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.716 0.210 -3.997 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.455 1.387 -3.558 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.419 -0.740 -2.565 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.772 0.731 -1.627 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.952 -0.870 -0.872 1.00 0.00 H new ATOM 526 N GLU A 34 -10.546 -0.927 -1.820 1.00 0.00 N ATOM 527 CA GLU A 34 -11.883 -1.102 -2.432 1.00 0.00 C ATOM 528 C GLU A 34 -12.968 -0.273 -1.709 1.00 0.00 C ATOM 529 O GLU A 34 -13.821 0.344 -2.358 1.00 0.00 O ATOM 530 CB GLU A 34 -12.284 -2.605 -2.477 1.00 0.00 C ATOM 531 CG GLU A 34 -12.432 -3.272 -1.101 1.00 0.00 C ATOM 532 CD GLU A 34 -12.808 -4.755 -1.160 1.00 0.00 C ATOM 533 OE1 GLU A 34 -11.902 -5.607 -1.251 1.00 0.00 O ATOM 534 OE2 GLU A 34 -14.010 -5.081 -1.098 1.00 0.00 O ATOM 0 H GLU A 34 -10.130 -1.796 -1.486 1.00 0.00 H new ATOM 0 HA GLU A 34 -11.815 -0.729 -3.454 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -13.228 -2.699 -3.015 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -11.534 -3.150 -3.051 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.494 -3.168 -0.556 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.192 -2.738 -0.531 1.00 0.00 H new ATOM 541 N THR A 35 -12.925 -0.250 -0.363 1.00 0.00 N ATOM 542 CA THR A 35 -13.917 0.473 0.453 1.00 0.00 C ATOM 543 C THR A 35 -13.556 1.964 0.583 1.00 0.00 C ATOM 544 O THR A 35 -14.440 2.835 0.598 1.00 0.00 O ATOM 545 CB THR A 35 -14.029 -0.157 1.873 1.00 0.00 C ATOM 546 OG1 THR A 35 -12.766 -0.065 2.550 1.00 0.00 O ATOM 547 CG2 THR A 35 -14.480 -1.628 1.807 1.00 0.00 C ATOM 0 H THR A 35 -12.209 -0.727 0.184 1.00 0.00 H new ATOM 0 HA THR A 35 -14.877 0.389 -0.056 1.00 0.00 H new ATOM 0 HB THR A 35 -14.784 0.401 2.427 1.00 0.00 H new ATOM 0 HG1 THR A 35 -12.164 -0.763 2.217 1.00 0.00 H new ATOM 0 HG21 THR A 35 -14.547 -2.034 2.816 1.00 0.00 H new ATOM 0 HG22 THR A 35 -15.457 -1.688 1.326 1.00 0.00 H new ATOM 0 HG23 THR A 35 -13.756 -2.205 1.231 1.00 0.00 H new ATOM 555 N ASP A 36 -12.240 2.233 0.658 1.00 0.00 N ATOM 556 CA ASP A 36 -11.678 3.565 0.963 1.00 0.00 C ATOM 557 C ASP A 36 -10.392 3.777 0.143 1.00 0.00 C ATOM 558 O ASP A 36 -9.284 3.490 0.620 1.00 0.00 O ATOM 559 CB ASP A 36 -11.380 3.726 2.487 1.00 0.00 C ATOM 560 CG ASP A 36 -12.657 3.731 3.337 1.00 0.00 C ATOM 561 OD1 ASP A 36 -13.428 4.714 3.255 1.00 0.00 O ATOM 562 OD2 ASP A 36 -12.915 2.753 4.064 1.00 0.00 O ATOM 0 H ASP A 36 -11.525 1.522 0.506 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.416 4.320 0.692 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.732 2.913 2.815 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.834 4.655 2.651 1.00 0.00 H new ATOM 567 N PRO A 37 -10.516 4.261 -1.134 1.00 0.00 N ATOM 568 CA PRO A 37 -9.340 4.606 -1.968 1.00 0.00 C ATOM 569 C PRO A 37 -8.597 5.834 -1.407 1.00 0.00 C ATOM 570 O PRO A 37 -7.444 6.093 -1.750 1.00 0.00 O ATOM 571 CB PRO A 37 -9.952 4.895 -3.365 1.00 0.00 C ATOM 572 CG PRO A 37 -11.353 5.332 -3.066 1.00 0.00 C ATOM 573 CD PRO A 37 -11.789 4.516 -1.865 1.00 0.00 C ATOM 0 HA PRO A 37 -8.594 3.812 -1.996 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.396 5.671 -3.891 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.938 4.008 -3.998 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.392 6.400 -2.849 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.009 5.155 -3.919 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.503 5.061 -1.248 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -12.272 3.586 -2.166 1.00 0.00 H new ATOM 581 N ASP A 38 -9.274 6.546 -0.493 1.00 0.00 N ATOM 582 CA ASP A 38 -8.777 7.755 0.164 1.00 0.00 C ATOM 583 C ASP A 38 -7.937 7.404 1.413 1.00 0.00 C ATOM 584 O ASP A 38 -7.773 8.244 2.295 1.00 0.00 O ATOM 585 CB ASP A 38 -9.986 8.644 0.569 1.00 0.00 C ATOM 586 CG ASP A 38 -10.978 8.864 -0.586 1.00 0.00 C ATOM 587 OD1 ASP A 38 -10.803 9.829 -1.367 1.00 0.00 O ATOM 588 OD2 ASP A 38 -11.925 8.053 -0.729 1.00 0.00 O ATOM 0 H ASP A 38 -10.210 6.285 -0.184 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.133 8.295 -0.531 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.508 8.180 1.406 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -9.620 9.610 0.917 1.00 0.00 H new ATOM 593 N TYR A 39 -7.394 6.166 1.484 1.00 0.00 N ATOM 594 CA TYR A 39 -6.499 5.740 2.578 1.00 0.00 C ATOM 595 C TYR A 39 -5.110 5.543 1.946 1.00 0.00 C ATOM 596 O TYR A 39 -4.811 4.479 1.385 1.00 0.00 O ATOM 597 CB TYR A 39 -6.991 4.427 3.267 1.00 0.00 C ATOM 598 CG TYR A 39 -6.405 4.200 4.680 1.00 0.00 C ATOM 599 CD1 TYR A 39 -5.144 3.619 4.866 1.00 0.00 C ATOM 600 CD2 TYR A 39 -7.091 4.613 5.824 1.00 0.00 C ATOM 601 CE1 TYR A 39 -4.613 3.436 6.124 1.00 0.00 C ATOM 602 CE2 TYR A 39 -6.555 4.430 7.085 1.00 0.00 C ATOM 603 CZ TYR A 39 -5.317 3.847 7.226 1.00 0.00 C ATOM 604 OH TYR A 39 -4.789 3.667 8.481 1.00 0.00 O ATOM 0 H TYR A 39 -7.565 5.441 0.787 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.479 6.493 3.366 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -8.079 4.450 3.335 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.730 3.578 2.636 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.575 3.307 4.003 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -8.058 5.084 5.722 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.646 2.970 6.241 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -7.107 4.744 7.958 1.00 0.00 H new ATOM 0 HH TYR A 39 -4.064 3.009 8.440 1.00 0.00 H new ATOM 614 N VAL A 40 -4.291 6.598 2.009 1.00 0.00 N ATOM 615 CA VAL A 40 -3.012 6.683 1.279 1.00 0.00 C ATOM 616 C VAL A 40 -1.963 5.706 1.852 1.00 0.00 C ATOM 617 O VAL A 40 -1.148 5.136 1.100 1.00 0.00 O ATOM 618 CB VAL A 40 -2.461 8.157 1.318 1.00 0.00 C ATOM 619 CG1 VAL A 40 -1.146 8.286 0.527 1.00 0.00 C ATOM 620 CG2 VAL A 40 -3.515 9.158 0.794 1.00 0.00 C ATOM 0 H VAL A 40 -4.494 7.425 2.570 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.201 6.397 0.244 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.249 8.400 2.359 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.793 9.316 0.574 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.395 7.625 0.959 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.318 8.009 -0.513 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.108 10.168 0.832 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.773 8.909 -0.235 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.409 9.103 1.415 1.00 0.00 H new ATOM 630 N GLY A 41 -2.026 5.505 3.184 1.00 0.00 N ATOM 631 CA GLY A 41 -1.090 4.637 3.907 1.00 0.00 C ATOM 632 C GLY A 41 -1.132 3.187 3.436 1.00 0.00 C ATOM 633 O GLY A 41 -0.129 2.467 3.547 1.00 0.00 O ATOM 0 H GLY A 41 -2.727 5.941 3.782 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.078 5.023 3.785 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.319 4.673 4.972 1.00 0.00 H new ATOM 637 N THR A 42 -2.305 2.764 2.913 1.00 0.00 N ATOM 638 CA THR A 42 -2.491 1.440 2.322 1.00 0.00 C ATOM 639 C THR A 42 -1.511 1.192 1.171 1.00 0.00 C ATOM 640 O THR A 42 -0.703 0.282 1.250 1.00 0.00 O ATOM 641 CB THR A 42 -3.934 1.273 1.764 1.00 0.00 C ATOM 642 OG1 THR A 42 -4.882 1.534 2.793 1.00 0.00 O ATOM 643 CG2 THR A 42 -4.159 -0.132 1.199 1.00 0.00 C ATOM 0 H THR A 42 -3.146 3.341 2.894 1.00 0.00 H new ATOM 0 HA THR A 42 -2.310 0.720 3.120 1.00 0.00 H new ATOM 0 HB THR A 42 -4.064 1.988 0.952 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.713 1.868 2.395 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.177 -0.212 0.818 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.453 -0.316 0.389 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.007 -0.870 1.987 1.00 0.00 H new ATOM 651 N TYR A 43 -1.576 2.073 0.152 1.00 0.00 N ATOM 652 CA TYR A 43 -0.918 1.877 -1.159 1.00 0.00 C ATOM 653 C TYR A 43 0.590 1.657 -1.031 1.00 0.00 C ATOM 654 O TYR A 43 1.169 0.851 -1.764 1.00 0.00 O ATOM 655 CB TYR A 43 -1.199 3.078 -2.088 1.00 0.00 C ATOM 656 CG TYR A 43 -2.683 3.239 -2.446 1.00 0.00 C ATOM 657 CD1 TYR A 43 -3.232 2.579 -3.547 1.00 0.00 C ATOM 658 CD2 TYR A 43 -3.531 4.054 -1.690 1.00 0.00 C ATOM 659 CE1 TYR A 43 -4.558 2.727 -3.877 1.00 0.00 C ATOM 660 CE2 TYR A 43 -4.859 4.195 -2.021 1.00 0.00 C ATOM 661 CZ TYR A 43 -5.360 3.534 -3.116 1.00 0.00 C ATOM 662 OH TYR A 43 -6.672 3.692 -3.459 1.00 0.00 O ATOM 0 H TYR A 43 -2.092 2.951 0.215 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.342 0.972 -1.594 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.848 3.990 -1.606 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.622 2.961 -3.006 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.603 1.941 -4.150 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -3.138 4.581 -0.833 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -4.965 2.209 -4.733 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -5.504 4.822 -1.423 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.976 4.584 -3.189 1.00 0.00 H new ATOM 672 N TYR A 44 1.208 2.427 -0.130 1.00 0.00 N ATOM 673 CA TYR A 44 2.621 2.287 0.222 1.00 0.00 C ATOM 674 C TYR A 44 2.962 0.848 0.669 1.00 0.00 C ATOM 675 O TYR A 44 3.754 0.164 0.026 1.00 0.00 O ATOM 676 CB TYR A 44 2.974 3.322 1.322 1.00 0.00 C ATOM 677 CG TYR A 44 4.479 3.528 1.512 1.00 0.00 C ATOM 678 CD1 TYR A 44 5.235 4.167 0.526 1.00 0.00 C ATOM 679 CD2 TYR A 44 5.145 3.086 2.661 1.00 0.00 C ATOM 680 CE1 TYR A 44 6.590 4.350 0.677 1.00 0.00 C ATOM 681 CE2 TYR A 44 6.503 3.267 2.807 1.00 0.00 C ATOM 682 CZ TYR A 44 7.216 3.904 1.816 1.00 0.00 C ATOM 683 OH TYR A 44 8.572 4.073 1.957 1.00 0.00 O ATOM 0 H TYR A 44 0.734 3.173 0.380 1.00 0.00 H new ATOM 0 HA TYR A 44 3.226 2.484 -0.663 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.514 4.278 1.070 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.538 2.998 2.267 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.748 4.523 -0.370 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.586 2.596 3.445 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.160 4.843 -0.097 1.00 0.00 H new ATOM 0 HE2 TYR A 44 7.006 2.911 3.694 1.00 0.00 H new ATOM 0 HH TYR A 44 8.860 3.704 2.818 1.00 0.00 H new ATOM 693 N HIS A 45 2.301 0.404 1.743 1.00 0.00 N ATOM 694 CA HIS A 45 2.559 -0.913 2.388 1.00 0.00 C ATOM 695 C HIS A 45 2.077 -2.099 1.525 1.00 0.00 C ATOM 696 O HIS A 45 2.653 -3.195 1.575 1.00 0.00 O ATOM 697 CB HIS A 45 1.922 -0.932 3.798 1.00 0.00 C ATOM 698 CG HIS A 45 2.571 0.045 4.740 1.00 0.00 C ATOM 699 ND1 HIS A 45 3.390 -0.335 5.774 1.00 0.00 N ATOM 700 CD2 HIS A 45 2.545 1.397 4.769 1.00 0.00 C ATOM 701 CE1 HIS A 45 3.837 0.736 6.397 1.00 0.00 C ATOM 702 NE2 HIS A 45 3.340 1.798 5.805 1.00 0.00 N ATOM 0 H HIS A 45 1.565 0.942 2.201 1.00 0.00 H new ATOM 0 HA HIS A 45 3.637 -1.038 2.485 1.00 0.00 H new ATOM 0 HB2 HIS A 45 0.860 -0.701 3.716 1.00 0.00 H new ATOM 0 HB3 HIS A 45 1.998 -1.937 4.213 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.997 2.041 4.097 1.00 0.00 H new ATOM 0 HE1 HIS A 45 4.500 0.740 7.250 1.00 0.00 H new ATOM 0 HE2 HIS A 45 3.519 2.765 6.075 1.00 0.00 H new ATOM 711 N LEU A 46 1.037 -1.850 0.724 1.00 0.00 N ATOM 712 CA LEU A 46 0.459 -2.829 -0.211 1.00 0.00 C ATOM 713 C LEU A 46 1.419 -3.051 -1.396 1.00 0.00 C ATOM 714 O LEU A 46 1.637 -4.188 -1.826 1.00 0.00 O ATOM 715 CB LEU A 46 -0.932 -2.322 -0.692 1.00 0.00 C ATOM 716 CG LEU A 46 -1.681 -3.161 -1.784 1.00 0.00 C ATOM 717 CD1 LEU A 46 -1.854 -4.643 -1.383 1.00 0.00 C ATOM 718 CD2 LEU A 46 -3.052 -2.528 -2.120 1.00 0.00 C ATOM 0 H LEU A 46 0.562 -0.947 0.704 1.00 0.00 H new ATOM 0 HA LEU A 46 0.321 -3.787 0.290 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.582 -2.252 0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.804 -1.310 -1.077 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.053 -3.143 -2.675 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.379 -5.176 -2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.874 -5.095 -1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.431 -4.705 -0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.553 -3.128 -2.880 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.667 -2.494 -1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.903 -1.516 -2.496 1.00 0.00 H new ATOM 730 N GLY A 47 2.009 -1.941 -1.878 1.00 0.00 N ATOM 731 CA GLY A 47 2.961 -1.965 -2.987 1.00 0.00 C ATOM 732 C GLY A 47 4.299 -2.567 -2.579 1.00 0.00 C ATOM 733 O GLY A 47 4.942 -3.259 -3.369 1.00 0.00 O ATOM 0 H GLY A 47 1.835 -1.008 -1.505 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.541 -2.540 -3.812 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.117 -0.950 -3.353 1.00 0.00 H new ATOM 737 N LYS A 48 4.714 -2.289 -1.327 1.00 0.00 N ATOM 738 CA LYS A 48 5.936 -2.873 -0.734 1.00 0.00 C ATOM 739 C LYS A 48 5.808 -4.397 -0.651 1.00 0.00 C ATOM 740 O LYS A 48 6.779 -5.130 -0.873 1.00 0.00 O ATOM 741 CB LYS A 48 6.221 -2.280 0.675 1.00 0.00 C ATOM 742 CG LYS A 48 6.705 -0.812 0.670 1.00 0.00 C ATOM 743 CD LYS A 48 8.040 -0.613 -0.094 1.00 0.00 C ATOM 744 CE LYS A 48 8.569 0.824 0.001 1.00 0.00 C ATOM 745 NZ LYS A 48 8.909 1.189 1.396 1.00 0.00 N ATOM 0 H LYS A 48 4.215 -1.657 -0.701 1.00 0.00 H new ATOM 0 HA LYS A 48 6.776 -2.620 -1.381 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.312 -2.347 1.273 1.00 0.00 H new ATOM 0 HB3 LYS A 48 6.974 -2.895 1.168 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.937 -0.184 0.217 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.828 -0.473 1.699 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.788 -1.298 0.305 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.896 -0.874 -1.142 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.452 0.929 -0.629 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.819 1.515 -0.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.437 2.082 1.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.590 0.437 2.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.939 1.305 1.483 1.00 0.00 H new ATOM 759 N LEU A 49 4.588 -4.849 -0.330 1.00 0.00 N ATOM 760 CA LEU A 49 4.256 -6.270 -0.257 1.00 0.00 C ATOM 761 C LEU A 49 4.256 -6.897 -1.669 1.00 0.00 C ATOM 762 O LEU A 49 4.687 -8.033 -1.831 1.00 0.00 O ATOM 763 CB LEU A 49 2.903 -6.457 0.477 1.00 0.00 C ATOM 764 CG LEU A 49 2.419 -7.927 0.729 1.00 0.00 C ATOM 765 CD1 LEU A 49 3.542 -8.816 1.332 1.00 0.00 C ATOM 766 CD2 LEU A 49 1.166 -7.926 1.639 1.00 0.00 C ATOM 0 H LEU A 49 3.804 -4.233 -0.114 1.00 0.00 H new ATOM 0 HA LEU A 49 5.016 -6.796 0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.970 -5.954 1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.133 -5.942 -0.098 1.00 0.00 H new ATOM 0 HG LEU A 49 2.156 -8.360 -0.236 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.162 -9.825 1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.387 -8.850 0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.865 -8.397 2.285 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.838 -8.952 1.808 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.410 -7.461 2.594 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.366 -7.364 1.156 1.00 0.00 H new ATOM 778 N TYR A 50 3.785 -6.142 -2.680 1.00 0.00 N ATOM 779 CA TYR A 50 3.863 -6.561 -4.098 1.00 0.00 C ATOM 780 C TYR A 50 5.322 -6.768 -4.555 1.00 0.00 C ATOM 781 O TYR A 50 5.618 -7.761 -5.216 1.00 0.00 O ATOM 782 CB TYR A 50 3.157 -5.549 -5.031 1.00 0.00 C ATOM 783 CG TYR A 50 1.627 -5.604 -5.011 1.00 0.00 C ATOM 784 CD1 TYR A 50 0.954 -6.822 -5.135 1.00 0.00 C ATOM 785 CD2 TYR A 50 0.854 -4.452 -4.904 1.00 0.00 C ATOM 786 CE1 TYR A 50 -0.421 -6.879 -5.141 1.00 0.00 C ATOM 787 CE2 TYR A 50 -0.521 -4.512 -4.905 1.00 0.00 C ATOM 788 CZ TYR A 50 -1.154 -5.721 -5.025 1.00 0.00 C ATOM 789 OH TYR A 50 -2.529 -5.767 -5.022 1.00 0.00 O ATOM 0 H TYR A 50 3.343 -5.233 -2.542 1.00 0.00 H new ATOM 0 HA TYR A 50 3.343 -7.517 -4.167 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.472 -4.543 -4.755 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.498 -5.721 -6.052 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.523 -7.735 -5.228 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.342 -3.492 -4.819 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.923 -7.830 -5.237 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.101 -3.606 -4.811 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.886 -4.859 -4.931 1.00 0.00 H new ATOM 799 N GLU A 51 6.220 -5.830 -4.191 1.00 0.00 N ATOM 800 CA GLU A 51 7.670 -5.941 -4.488 1.00 0.00 C ATOM 801 C GLU A 51 8.234 -7.279 -3.954 1.00 0.00 C ATOM 802 O GLU A 51 9.023 -7.953 -4.624 1.00 0.00 O ATOM 803 CB GLU A 51 8.455 -4.759 -3.859 1.00 0.00 C ATOM 804 CG GLU A 51 8.206 -3.369 -4.491 1.00 0.00 C ATOM 805 CD GLU A 51 9.091 -2.257 -3.878 1.00 0.00 C ATOM 806 OE1 GLU A 51 10.303 -2.501 -3.647 1.00 0.00 O ATOM 807 OE2 GLU A 51 8.594 -1.143 -3.607 1.00 0.00 O ATOM 0 H GLU A 51 5.968 -4.980 -3.687 1.00 0.00 H new ATOM 0 HA GLU A 51 7.791 -5.909 -5.571 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.205 -4.705 -2.800 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.520 -4.980 -3.924 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.394 -3.425 -5.563 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.157 -3.101 -4.365 1.00 0.00 H new ATOM 814 N ARG A 52 7.787 -7.645 -2.740 1.00 0.00 N ATOM 815 CA ARG A 52 8.146 -8.912 -2.080 1.00 0.00 C ATOM 816 C ARG A 52 7.630 -10.123 -2.882 1.00 0.00 C ATOM 817 O ARG A 52 8.363 -11.085 -3.107 1.00 0.00 O ATOM 818 CB ARG A 52 7.555 -8.943 -0.647 1.00 0.00 C ATOM 819 CG ARG A 52 8.150 -7.917 0.341 1.00 0.00 C ATOM 820 CD ARG A 52 7.420 -7.921 1.696 1.00 0.00 C ATOM 821 NE ARG A 52 7.319 -9.282 2.268 1.00 0.00 N ATOM 822 CZ ARG A 52 6.968 -9.572 3.528 1.00 0.00 C ATOM 823 NH1 ARG A 52 6.740 -8.612 4.416 1.00 0.00 N ATOM 824 NH2 ARG A 52 6.875 -10.837 3.897 1.00 0.00 N ATOM 0 H ARG A 52 7.160 -7.063 -2.184 1.00 0.00 H new ATOM 0 HA ARG A 52 9.233 -8.974 -2.030 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.480 -8.776 -0.713 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.698 -9.942 -0.236 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.206 -8.138 0.499 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.095 -6.920 -0.096 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.949 -7.273 2.395 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.420 -7.506 1.570 1.00 0.00 H new ATOM 0 HE ARG A 52 7.535 -10.065 1.651 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.831 -7.633 4.144 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.474 -8.853 5.371 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.070 -11.580 3.226 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.609 -11.071 4.853 1.00 0.00 H new ATOM 838 N LEU A 53 6.358 -10.048 -3.317 1.00 0.00 N ATOM 839 CA LEU A 53 5.649 -11.168 -3.981 1.00 0.00 C ATOM 840 C LEU A 53 6.002 -11.297 -5.487 1.00 0.00 C ATOM 841 O LEU A 53 5.311 -12.022 -6.210 1.00 0.00 O ATOM 842 CB LEU A 53 4.112 -10.975 -3.806 1.00 0.00 C ATOM 843 CG LEU A 53 3.573 -10.958 -2.337 1.00 0.00 C ATOM 844 CD1 LEU A 53 2.056 -10.662 -2.296 1.00 0.00 C ATOM 845 CD2 LEU A 53 3.905 -12.272 -1.590 1.00 0.00 C ATOM 0 H LEU A 53 5.788 -9.208 -3.219 1.00 0.00 H new ATOM 0 HA LEU A 53 5.975 -12.093 -3.505 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.829 -10.037 -4.284 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.604 -11.774 -4.346 1.00 0.00 H new ATOM 0 HG LEU A 53 4.084 -10.148 -1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.714 -10.657 -1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.863 -9.688 -2.746 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.520 -11.431 -2.852 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.514 -12.221 -0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.449 -13.113 -2.113 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.986 -12.409 -1.557 1.00 0.00 H new ATOM 857 N ASP A 54 7.075 -10.597 -5.945 1.00 0.00 N ATOM 858 CA ASP A 54 7.508 -10.566 -7.377 1.00 0.00 C ATOM 859 C ASP A 54 6.408 -9.935 -8.286 1.00 0.00 C ATOM 860 O ASP A 54 6.407 -10.067 -9.515 1.00 0.00 O ATOM 861 CB ASP A 54 7.938 -11.998 -7.846 1.00 0.00 C ATOM 862 CG ASP A 54 8.543 -12.061 -9.266 1.00 0.00 C ATOM 863 OD1 ASP A 54 9.604 -11.440 -9.501 1.00 0.00 O ATOM 864 OD2 ASP A 54 7.983 -12.764 -10.142 1.00 0.00 O ATOM 0 H ASP A 54 7.668 -10.036 -5.333 1.00 0.00 H new ATOM 0 HA ASP A 54 8.383 -9.922 -7.468 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.667 -12.393 -7.138 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.068 -12.654 -7.808 1.00 0.00 H new ATOM 869 N ARG A 55 5.490 -9.201 -7.644 1.00 0.00 N ATOM 870 CA ARG A 55 4.412 -8.446 -8.303 1.00 0.00 C ATOM 871 C ARG A 55 4.814 -6.961 -8.339 1.00 0.00 C ATOM 872 O ARG A 55 4.000 -6.068 -8.101 1.00 0.00 O ATOM 873 CB ARG A 55 3.081 -8.654 -7.519 1.00 0.00 C ATOM 874 CG ARG A 55 2.625 -10.125 -7.373 1.00 0.00 C ATOM 875 CD ARG A 55 2.431 -10.832 -8.727 1.00 0.00 C ATOM 876 NE ARG A 55 1.444 -10.139 -9.575 1.00 0.00 N ATOM 877 CZ ARG A 55 0.707 -10.699 -10.538 1.00 0.00 C ATOM 878 NH1 ARG A 55 0.754 -12.007 -10.767 1.00 0.00 N ATOM 879 NH2 ARG A 55 -0.094 -9.934 -11.259 1.00 0.00 N ATOM 0 H ARG A 55 5.474 -9.112 -6.628 1.00 0.00 H new ATOM 0 HA ARG A 55 4.258 -8.797 -9.324 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.194 -8.225 -6.523 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.292 -8.094 -8.020 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.363 -10.672 -6.786 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.689 -10.156 -6.816 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.386 -10.883 -9.250 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.106 -11.858 -8.557 1.00 0.00 H new ATOM 0 HE ARG A 55 1.312 -9.141 -9.411 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.361 -12.602 -10.203 1.00 0.00 H new ATOM 0 HH12 ARG A 55 0.184 -12.416 -11.507 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.143 -8.932 -11.076 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -0.663 -10.346 -11.998 1.00 0.00 H new ATOM 893 N THR A 56 6.088 -6.718 -8.667 1.00 0.00 N ATOM 894 CA THR A 56 6.710 -5.387 -8.608 1.00 0.00 C ATOM 895 C THR A 56 6.086 -4.419 -9.643 1.00 0.00 C ATOM 896 O THR A 56 6.032 -3.215 -9.407 1.00 0.00 O ATOM 897 CB THR A 56 8.248 -5.512 -8.818 1.00 0.00 C ATOM 898 OG1 THR A 56 8.753 -6.569 -7.981 1.00 0.00 O ATOM 899 CG2 THR A 56 8.998 -4.207 -8.493 1.00 0.00 C ATOM 0 H THR A 56 6.725 -7.448 -8.985 1.00 0.00 H new ATOM 0 HA THR A 56 6.521 -4.965 -7.621 1.00 0.00 H new ATOM 0 HB THR A 56 8.418 -5.732 -9.872 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.721 -6.654 -8.110 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.066 -4.351 -8.657 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.636 -3.408 -9.140 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.824 -3.937 -7.451 1.00 0.00 H new ATOM 907 N ASP A 57 5.609 -4.967 -10.779 1.00 0.00 N ATOM 908 CA ASP A 57 4.845 -4.209 -11.800 1.00 0.00 C ATOM 909 C ASP A 57 3.493 -3.730 -11.223 1.00 0.00 C ATOM 910 O ASP A 57 3.059 -2.593 -11.467 1.00 0.00 O ATOM 911 CB ASP A 57 4.606 -5.101 -13.048 1.00 0.00 C ATOM 912 CG ASP A 57 3.804 -4.410 -14.169 1.00 0.00 C ATOM 913 OD1 ASP A 57 4.410 -3.734 -15.020 1.00 0.00 O ATOM 914 OD2 ASP A 57 2.567 -4.542 -14.210 1.00 0.00 O ATOM 0 H ASP A 57 5.741 -5.950 -11.018 1.00 0.00 H new ATOM 0 HA ASP A 57 5.425 -3.333 -12.091 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.570 -5.416 -13.447 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.078 -6.004 -12.741 1.00 0.00 H new ATOM 919 N ASP A 58 2.837 -4.634 -10.466 1.00 0.00 N ATOM 920 CA ASP A 58 1.574 -4.340 -9.751 1.00 0.00 C ATOM 921 C ASP A 58 1.810 -3.249 -8.690 1.00 0.00 C ATOM 922 O ASP A 58 0.940 -2.410 -8.454 1.00 0.00 O ATOM 923 CB ASP A 58 0.990 -5.617 -9.081 1.00 0.00 C ATOM 924 CG ASP A 58 0.727 -6.749 -10.081 1.00 0.00 C ATOM 925 OD1 ASP A 58 1.704 -7.357 -10.562 1.00 0.00 O ATOM 926 OD2 ASP A 58 -0.448 -7.047 -10.388 1.00 0.00 O ATOM 0 H ASP A 58 3.167 -5.590 -10.332 1.00 0.00 H new ATOM 0 HA ASP A 58 0.849 -3.983 -10.483 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.682 -5.969 -8.316 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.059 -5.362 -8.575 1.00 0.00 H new ATOM 931 N ALA A 59 3.020 -3.273 -8.081 1.00 0.00 N ATOM 932 CA ALA A 59 3.460 -2.269 -7.100 1.00 0.00 C ATOM 933 C ALA A 59 3.515 -0.876 -7.742 1.00 0.00 C ATOM 934 O ALA A 59 3.028 0.080 -7.156 1.00 0.00 O ATOM 935 CB ALA A 59 4.834 -2.642 -6.509 1.00 0.00 C ATOM 0 H ALA A 59 3.717 -3.996 -8.262 1.00 0.00 H new ATOM 0 HA ALA A 59 2.733 -2.249 -6.288 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.137 -1.884 -5.787 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.766 -3.610 -6.013 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.572 -2.696 -7.309 1.00 0.00 H new ATOM 941 N ILE A 60 4.082 -0.801 -8.971 1.00 0.00 N ATOM 942 CA ILE A 60 4.195 0.461 -9.755 1.00 0.00 C ATOM 943 C ILE A 60 2.807 1.117 -9.933 1.00 0.00 C ATOM 944 O ILE A 60 2.647 2.339 -9.776 1.00 0.00 O ATOM 945 CB ILE A 60 4.839 0.214 -11.185 1.00 0.00 C ATOM 946 CG1 ILE A 60 6.186 -0.577 -11.089 1.00 0.00 C ATOM 947 CG2 ILE A 60 5.040 1.545 -11.954 1.00 0.00 C ATOM 948 CD1 ILE A 60 7.254 0.071 -10.233 1.00 0.00 C ATOM 0 H ILE A 60 4.475 -1.612 -9.450 1.00 0.00 H new ATOM 0 HA ILE A 60 4.849 1.126 -9.191 1.00 0.00 H new ATOM 0 HB ILE A 60 4.134 -0.399 -11.747 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.978 -1.571 -10.692 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.582 -0.712 -12.095 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.483 1.339 -12.929 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.076 2.036 -12.090 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.703 2.197 -11.385 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.147 -0.554 -10.231 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.499 1.053 -10.638 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.886 0.181 -9.213 1.00 0.00 H new ATOM 960 N ASP A 61 1.817 0.260 -10.230 1.00 0.00 N ATOM 961 CA ASP A 61 0.417 0.659 -10.473 1.00 0.00 C ATOM 962 C ASP A 61 -0.293 1.055 -9.151 1.00 0.00 C ATOM 963 O ASP A 61 -1.155 1.939 -9.143 1.00 0.00 O ATOM 964 CB ASP A 61 -0.337 -0.506 -11.174 1.00 0.00 C ATOM 965 CG ASP A 61 -1.734 -0.114 -11.700 1.00 0.00 C ATOM 966 OD1 ASP A 61 -2.724 -0.178 -10.936 1.00 0.00 O ATOM 967 OD2 ASP A 61 -1.851 0.275 -12.880 1.00 0.00 O ATOM 0 H ASP A 61 1.967 -0.746 -10.310 1.00 0.00 H new ATOM 0 HA ASP A 61 0.410 1.535 -11.121 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.266 -0.869 -12.006 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.442 -1.333 -10.472 1.00 0.00 H new ATOM 972 N THR A 62 0.072 0.376 -8.041 1.00 0.00 N ATOM 973 CA THR A 62 -0.504 0.630 -6.698 1.00 0.00 C ATOM 974 C THR A 62 -0.036 1.990 -6.157 1.00 0.00 C ATOM 975 O THR A 62 -0.828 2.766 -5.609 1.00 0.00 O ATOM 976 CB THR A 62 -0.108 -0.512 -5.706 1.00 0.00 C ATOM 977 OG1 THR A 62 -0.569 -1.763 -6.230 1.00 0.00 O ATOM 978 CG2 THR A 62 -0.691 -0.325 -4.297 1.00 0.00 C ATOM 0 H THR A 62 0.774 -0.364 -8.049 1.00 0.00 H new ATOM 0 HA THR A 62 -1.590 0.649 -6.791 1.00 0.00 H new ATOM 0 HB THR A 62 0.978 -0.488 -5.612 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.120 -2.499 -5.763 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.377 -1.152 -3.661 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.331 0.614 -3.876 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.779 -0.303 -4.353 1.00 0.00 H new ATOM 986 N TYR A 63 1.268 2.246 -6.314 1.00 0.00 N ATOM 987 CA TYR A 63 1.878 3.533 -5.982 1.00 0.00 C ATOM 988 C TYR A 63 1.288 4.642 -6.861 1.00 0.00 C ATOM 989 O TYR A 63 1.049 5.722 -6.363 1.00 0.00 O ATOM 990 CB TYR A 63 3.418 3.479 -6.136 1.00 0.00 C ATOM 991 CG TYR A 63 4.127 2.518 -5.164 1.00 0.00 C ATOM 992 CD1 TYR A 63 3.840 2.535 -3.802 1.00 0.00 C ATOM 993 CD2 TYR A 63 5.084 1.601 -5.607 1.00 0.00 C ATOM 994 CE1 TYR A 63 4.484 1.693 -2.930 1.00 0.00 C ATOM 995 CE2 TYR A 63 5.721 0.753 -4.734 1.00 0.00 C ATOM 996 CZ TYR A 63 5.412 0.805 -3.400 1.00 0.00 C ATOM 997 OH TYR A 63 6.050 -0.019 -2.527 1.00 0.00 O ATOM 0 H TYR A 63 1.931 1.561 -6.677 1.00 0.00 H new ATOM 0 HA TYR A 63 1.655 3.755 -4.938 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.658 3.183 -7.157 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.820 4.482 -5.992 1.00 0.00 H new ATOM 0 HD1 TYR A 63 3.098 3.223 -3.425 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.328 1.558 -6.658 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.258 1.732 -1.875 1.00 0.00 H new ATOM 0 HE2 TYR A 63 6.459 0.052 -5.096 1.00 0.00 H new ATOM 0 HH TYR A 63 6.849 -0.393 -2.954 1.00 0.00 H new ATOM 1007 N ALA A 64 1.047 4.339 -8.160 1.00 0.00 N ATOM 1008 CA ALA A 64 0.438 5.281 -9.129 1.00 0.00 C ATOM 1009 C ALA A 64 -0.976 5.720 -8.690 1.00 0.00 C ATOM 1010 O ALA A 64 -1.304 6.917 -8.731 1.00 0.00 O ATOM 1011 CB ALA A 64 0.401 4.649 -10.526 1.00 0.00 C ATOM 0 H ALA A 64 1.271 3.430 -8.566 1.00 0.00 H new ATOM 0 HA ALA A 64 1.059 6.177 -9.161 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.048 5.349 -11.230 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.416 4.414 -10.846 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.191 3.734 -10.496 1.00 0.00 H new ATOM 1017 N GLN A 65 -1.802 4.731 -8.285 1.00 0.00 N ATOM 1018 CA GLN A 65 -3.131 4.973 -7.674 1.00 0.00 C ATOM 1019 C GLN A 65 -2.993 5.841 -6.413 1.00 0.00 C ATOM 1020 O GLN A 65 -3.773 6.776 -6.184 1.00 0.00 O ATOM 1021 CB GLN A 65 -3.820 3.620 -7.310 1.00 0.00 C ATOM 1022 CG GLN A 65 -4.431 2.832 -8.499 1.00 0.00 C ATOM 1023 CD GLN A 65 -5.867 3.255 -8.893 1.00 0.00 C ATOM 1024 OE1 GLN A 65 -6.646 2.426 -9.358 1.00 0.00 O ATOM 1025 NE2 GLN A 65 -6.225 4.529 -8.756 1.00 0.00 N ATOM 0 H GLN A 65 -1.568 3.742 -8.372 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.749 5.500 -8.401 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.088 2.983 -6.814 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.610 3.820 -6.586 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.782 2.951 -9.367 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.436 1.771 -8.248 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.567 5.205 -8.368 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.158 4.830 -9.039 1.00 0.00 H new ATOM 1034 N GLY A 66 -1.980 5.484 -5.617 1.00 0.00 N ATOM 1035 CA GLY A 66 -1.650 6.174 -4.389 1.00 0.00 C ATOM 1036 C GLY A 66 -1.276 7.637 -4.597 1.00 0.00 C ATOM 1037 O GLY A 66 -1.674 8.471 -3.811 1.00 0.00 O ATOM 0 H GLY A 66 -1.365 4.696 -5.820 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.500 6.117 -3.710 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.820 5.660 -3.904 1.00 0.00 H new ATOM 1041 N ILE A 67 -0.517 7.924 -5.665 1.00 0.00 N ATOM 1042 CA ILE A 67 -0.024 9.285 -6.011 1.00 0.00 C ATOM 1043 C ILE A 67 -1.197 10.272 -6.166 1.00 0.00 C ATOM 1044 O ILE A 67 -1.152 11.411 -5.669 1.00 0.00 O ATOM 1045 CB ILE A 67 0.833 9.227 -7.345 1.00 0.00 C ATOM 1046 CG1 ILE A 67 2.197 8.505 -7.091 1.00 0.00 C ATOM 1047 CG2 ILE A 67 1.062 10.624 -7.976 1.00 0.00 C ATOM 1048 CD1 ILE A 67 2.989 8.177 -8.344 1.00 0.00 C ATOM 0 H ILE A 67 -0.218 7.211 -6.330 1.00 0.00 H new ATOM 0 HA ILE A 67 0.609 9.641 -5.198 1.00 0.00 H new ATOM 0 HB ILE A 67 0.253 8.651 -8.066 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.810 9.134 -6.446 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.006 7.580 -6.547 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.654 10.520 -8.885 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.100 11.076 -8.219 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.593 11.260 -7.268 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.918 7.679 -8.067 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.401 7.519 -8.984 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.217 9.097 -8.881 1.00 0.00 H new ATOM 1060 N GLU A 68 -2.261 9.782 -6.821 1.00 0.00 N ATOM 1061 CA GLU A 68 -3.475 10.554 -7.100 1.00 0.00 C ATOM 1062 C GLU A 68 -4.164 10.964 -5.784 1.00 0.00 C ATOM 1063 O GLU A 68 -4.506 12.125 -5.588 1.00 0.00 O ATOM 1064 CB GLU A 68 -4.432 9.702 -7.976 1.00 0.00 C ATOM 1065 CG GLU A 68 -3.801 9.173 -9.278 1.00 0.00 C ATOM 1066 CD GLU A 68 -4.738 8.246 -10.071 1.00 0.00 C ATOM 1067 OE1 GLU A 68 -4.951 7.091 -9.641 1.00 0.00 O ATOM 1068 OE2 GLU A 68 -5.272 8.658 -11.120 1.00 0.00 O ATOM 0 H GLU A 68 -2.300 8.826 -7.175 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.211 11.464 -7.639 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.786 8.855 -7.388 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.306 10.303 -8.228 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.518 10.017 -9.907 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.885 8.634 -9.037 1.00 0.00 H new ATOM 1075 N VAL A 69 -4.312 9.985 -4.873 1.00 0.00 N ATOM 1076 CA VAL A 69 -4.976 10.188 -3.562 1.00 0.00 C ATOM 1077 C VAL A 69 -4.020 10.814 -2.518 1.00 0.00 C ATOM 1078 O VAL A 69 -4.465 11.333 -1.506 1.00 0.00 O ATOM 1079 CB VAL A 69 -5.613 8.858 -3.007 1.00 0.00 C ATOM 1080 CG1 VAL A 69 -6.629 8.270 -4.014 1.00 0.00 C ATOM 1081 CG2 VAL A 69 -4.542 7.810 -2.633 1.00 0.00 C ATOM 0 H VAL A 69 -3.978 9.032 -5.019 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.787 10.895 -3.737 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.144 9.116 -2.091 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.055 7.352 -3.608 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.426 8.992 -4.191 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.124 8.050 -4.954 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.029 6.911 -2.255 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.953 7.560 -3.516 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.887 8.218 -1.863 1.00 0.00 H new ATOM 1091 N ALA A 70 -2.700 10.724 -2.767 1.00 0.00 N ATOM 1092 CA ALA A 70 -1.655 11.218 -1.838 1.00 0.00 C ATOM 1093 C ALA A 70 -1.628 12.740 -1.821 1.00 0.00 C ATOM 1094 O ALA A 70 -1.564 13.363 -0.766 1.00 0.00 O ATOM 1095 CB ALA A 70 -0.274 10.687 -2.236 1.00 0.00 C ATOM 0 H ALA A 70 -2.323 10.307 -3.618 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.899 10.853 -0.840 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.475 11.063 -1.539 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.281 9.597 -2.207 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.032 11.022 -3.245 1.00 0.00 H new ATOM 1101 N ARG A 71 -1.673 13.312 -3.023 1.00 0.00 N ATOM 1102 CA ARG A 71 -1.638 14.762 -3.216 1.00 0.00 C ATOM 1103 C ARG A 71 -2.955 15.426 -2.763 1.00 0.00 C ATOM 1104 O ARG A 71 -2.956 16.585 -2.347 1.00 0.00 O ATOM 1105 CB ARG A 71 -1.321 15.071 -4.696 1.00 0.00 C ATOM 1106 CG ARG A 71 -2.404 14.649 -5.713 1.00 0.00 C ATOM 1107 CD ARG A 71 -1.923 14.747 -7.168 1.00 0.00 C ATOM 1108 NE ARG A 71 -1.254 16.034 -7.450 1.00 0.00 N ATOM 1109 CZ ARG A 71 0.019 16.173 -7.857 1.00 0.00 C ATOM 1110 NH1 ARG A 71 0.764 15.117 -8.123 1.00 0.00 N ATOM 1111 NH2 ARG A 71 0.533 17.376 -8.007 1.00 0.00 N ATOM 0 H ARG A 71 -1.735 12.783 -3.893 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.850 15.184 -2.592 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.152 16.143 -4.796 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.387 14.575 -4.960 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.712 13.624 -5.505 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.284 15.279 -5.583 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.234 13.928 -7.377 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -2.774 14.627 -7.839 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.802 16.885 -7.326 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.375 14.180 -8.021 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.729 15.238 -8.431 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.035 18.201 -7.814 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.499 17.483 -8.316 1.00 0.00 H new ATOM 1125 N GLU A 72 -4.077 14.677 -2.837 1.00 0.00 N ATOM 1126 CA GLU A 72 -5.411 15.197 -2.473 1.00 0.00 C ATOM 1127 C GLU A 72 -5.727 14.980 -0.973 1.00 0.00 C ATOM 1128 O GLU A 72 -6.009 15.937 -0.241 1.00 0.00 O ATOM 1129 CB GLU A 72 -6.489 14.520 -3.357 1.00 0.00 C ATOM 1130 CG GLU A 72 -6.319 14.778 -4.869 1.00 0.00 C ATOM 1131 CD GLU A 72 -7.418 14.128 -5.722 1.00 0.00 C ATOM 1132 OE1 GLU A 72 -7.301 12.928 -6.041 1.00 0.00 O ATOM 1133 OE2 GLU A 72 -8.405 14.810 -6.071 1.00 0.00 O ATOM 0 H GLU A 72 -4.083 13.705 -3.147 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.415 16.273 -2.649 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.467 13.445 -3.178 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.472 14.875 -3.047 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.316 15.853 -5.049 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.348 14.399 -5.189 1.00 0.00 H new ATOM 1140 N GLU A 73 -5.646 13.716 -0.530 1.00 0.00 N ATOM 1141 CA GLU A 73 -6.046 13.289 0.831 1.00 0.00 C ATOM 1142 C GLU A 73 -4.883 13.391 1.819 1.00 0.00 C ATOM 1143 O GLU A 73 -5.036 13.994 2.889 1.00 0.00 O ATOM 1144 CB GLU A 73 -6.606 11.840 0.795 1.00 0.00 C ATOM 1145 CG GLU A 73 -7.832 11.668 -0.120 1.00 0.00 C ATOM 1146 CD GLU A 73 -9.033 12.526 0.327 1.00 0.00 C ATOM 1147 OE1 GLU A 73 -9.763 12.108 1.250 1.00 0.00 O ATOM 1148 OE2 GLU A 73 -9.237 13.631 -0.222 1.00 0.00 O ATOM 0 H GLU A 73 -5.299 12.950 -1.107 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.829 13.964 1.177 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.818 11.165 0.461 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.876 11.540 1.808 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.559 11.936 -1.141 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.126 10.618 -0.134 1.00 0.00 H new ATOM 1155 N GLY A 74 -3.718 12.820 1.465 1.00 0.00 N ATOM 1156 CA GLY A 74 -2.555 12.828 2.365 1.00 0.00 C ATOM 1157 C GLY A 74 -1.773 14.130 2.263 1.00 0.00 C ATOM 1158 O GLY A 74 -2.303 15.139 1.778 1.00 0.00 O ATOM 0 H GLY A 74 -3.559 12.353 0.572 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.889 12.684 3.392 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.901 11.991 2.122 1.00 0.00 H new ATOM 1162 N THR A 75 -0.524 14.124 2.732 1.00 0.00 N ATOM 1163 CA THR A 75 0.361 15.294 2.634 1.00 0.00 C ATOM 1164 C THR A 75 1.348 15.140 1.449 1.00 0.00 C ATOM 1165 O THR A 75 1.353 14.111 0.751 1.00 0.00 O ATOM 1166 CB THR A 75 1.145 15.509 3.972 1.00 0.00 C ATOM 1167 OG1 THR A 75 1.958 14.369 4.253 1.00 0.00 O ATOM 1168 CG2 THR A 75 0.208 15.752 5.168 1.00 0.00 C ATOM 0 H THR A 75 -0.097 13.317 3.187 1.00 0.00 H new ATOM 0 HA THR A 75 -0.259 16.172 2.453 1.00 0.00 H new ATOM 0 HB THR A 75 1.762 16.397 3.836 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.446 14.513 5.091 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.801 15.895 6.071 1.00 0.00 H new ATOM 0 HG22 THR A 75 -0.394 16.642 4.984 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.448 14.891 5.297 1.00 0.00 H new ATOM 1176 N GLN A 76 2.184 16.180 1.243 1.00 0.00 N ATOM 1177 CA GLN A 76 3.261 16.187 0.230 1.00 0.00 C ATOM 1178 C GLN A 76 4.268 15.036 0.461 1.00 0.00 C ATOM 1179 O GLN A 76 4.876 14.537 -0.502 1.00 0.00 O ATOM 1180 CB GLN A 76 3.982 17.568 0.258 1.00 0.00 C ATOM 1181 CG GLN A 76 5.216 17.690 -0.670 1.00 0.00 C ATOM 1182 CD GLN A 76 4.912 17.457 -2.157 1.00 0.00 C ATOM 1183 OE1 GLN A 76 3.843 17.802 -2.656 1.00 0.00 O ATOM 1184 NE2 GLN A 76 5.842 16.846 -2.870 1.00 0.00 N ATOM 0 H GLN A 76 2.130 17.046 1.780 1.00 0.00 H new ATOM 0 HA GLN A 76 2.817 16.029 -0.753 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.263 18.340 -0.017 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.296 17.775 1.281 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.649 18.683 -0.551 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.971 16.972 -0.348 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.721 16.570 -2.432 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.681 16.651 -3.858 1.00 0.00 H new ATOM 1193 N LYS A 77 4.417 14.608 1.739 1.00 0.00 N ATOM 1194 CA LYS A 77 5.324 13.505 2.106 1.00 0.00 C ATOM 1195 C LYS A 77 4.876 12.221 1.383 1.00 0.00 C ATOM 1196 O LYS A 77 5.685 11.559 0.760 1.00 0.00 O ATOM 1197 CB LYS A 77 5.402 13.282 3.664 1.00 0.00 C ATOM 1198 CG LYS A 77 4.327 12.353 4.259 1.00 0.00 C ATOM 1199 CD LYS A 77 4.462 12.095 5.770 1.00 0.00 C ATOM 1200 CE LYS A 77 3.377 11.127 6.277 1.00 0.00 C ATOM 1201 NZ LYS A 77 3.351 9.857 5.499 1.00 0.00 N ATOM 0 H LYS A 77 3.917 15.014 2.530 1.00 0.00 H new ATOM 0 HA LYS A 77 6.332 13.772 1.788 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.383 12.874 3.906 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.331 14.252 4.156 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.345 12.785 4.065 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.363 11.397 3.737 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.448 11.682 5.983 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.389 13.039 6.309 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.554 10.904 7.329 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.402 11.610 6.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.278 9.051 6.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.531 9.859 4.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.225 9.773 4.942 1.00 0.00 H new ATOM 1215 N ASP A 78 3.546 11.966 1.398 1.00 0.00 N ATOM 1216 CA ASP A 78 2.939 10.732 0.868 1.00 0.00 C ATOM 1217 C ASP A 78 3.071 10.699 -0.644 1.00 0.00 C ATOM 1218 O ASP A 78 3.337 9.649 -1.228 1.00 0.00 O ATOM 1219 CB ASP A 78 1.449 10.641 1.278 1.00 0.00 C ATOM 1220 CG ASP A 78 1.259 10.535 2.798 1.00 0.00 C ATOM 1221 OD1 ASP A 78 1.378 9.416 3.346 1.00 0.00 O ATOM 1222 OD2 ASP A 78 1.022 11.573 3.454 1.00 0.00 O ATOM 0 H ASP A 78 2.863 12.619 1.782 1.00 0.00 H new ATOM 0 HA ASP A 78 3.464 9.875 1.289 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.921 11.521 0.910 1.00 0.00 H new ATOM 0 HB3 ASP A 78 0.996 9.773 0.798 1.00 0.00 H new ATOM 1227 N LEU A 79 2.884 11.882 -1.261 1.00 0.00 N ATOM 1228 CA LEU A 79 3.077 12.073 -2.703 1.00 0.00 C ATOM 1229 C LEU A 79 4.517 11.686 -3.095 1.00 0.00 C ATOM 1230 O LEU A 79 4.730 10.928 -4.043 1.00 0.00 O ATOM 1231 CB LEU A 79 2.763 13.549 -3.097 1.00 0.00 C ATOM 1232 CG LEU A 79 2.961 13.931 -4.602 1.00 0.00 C ATOM 1233 CD1 LEU A 79 2.077 13.065 -5.522 1.00 0.00 C ATOM 1234 CD2 LEU A 79 2.695 15.438 -4.837 1.00 0.00 C ATOM 0 H LEU A 79 2.595 12.728 -0.770 1.00 0.00 H new ATOM 0 HA LEU A 79 2.389 11.426 -3.248 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.729 13.761 -2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.392 14.204 -2.494 1.00 0.00 H new ATOM 0 HG LEU A 79 4.002 13.731 -4.856 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.238 13.355 -6.560 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.338 12.015 -5.394 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.029 13.212 -5.263 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.840 15.673 -5.891 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.671 15.676 -4.550 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.386 16.028 -4.235 1.00 0.00 H new ATOM 1246 N SER A 80 5.480 12.173 -2.297 1.00 0.00 N ATOM 1247 CA SER A 80 6.911 11.957 -2.527 1.00 0.00 C ATOM 1248 C SER A 80 7.314 10.487 -2.256 1.00 0.00 C ATOM 1249 O SER A 80 8.156 9.951 -2.966 1.00 0.00 O ATOM 1250 CB SER A 80 7.716 12.918 -1.628 1.00 0.00 C ATOM 1251 OG SER A 80 9.096 12.921 -1.950 1.00 0.00 O ATOM 0 H SER A 80 5.282 12.732 -1.467 1.00 0.00 H new ATOM 0 HA SER A 80 7.134 12.162 -3.574 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.318 13.928 -1.730 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.589 12.630 -0.585 1.00 0.00 H new ATOM 0 HG SER A 80 9.569 13.543 -1.359 1.00 0.00 H new ATOM 1257 N GLU A 81 6.691 9.853 -1.234 1.00 0.00 N ATOM 1258 CA GLU A 81 7.022 8.475 -0.796 1.00 0.00 C ATOM 1259 C GLU A 81 6.580 7.445 -1.839 1.00 0.00 C ATOM 1260 O GLU A 81 7.309 6.499 -2.132 1.00 0.00 O ATOM 1261 CB GLU A 81 6.367 8.151 0.582 1.00 0.00 C ATOM 1262 CG GLU A 81 6.952 8.932 1.772 1.00 0.00 C ATOM 1263 CD GLU A 81 6.269 8.597 3.107 1.00 0.00 C ATOM 1264 OE1 GLU A 81 5.205 9.179 3.413 1.00 0.00 O ATOM 1265 OE2 GLU A 81 6.787 7.741 3.858 1.00 0.00 O ATOM 0 H GLU A 81 5.944 10.283 -0.689 1.00 0.00 H new ATOM 0 HA GLU A 81 8.105 8.419 -0.688 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.299 8.358 0.519 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.474 7.084 0.778 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.018 8.717 1.852 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.856 10.001 1.580 1.00 0.00 H new ATOM 1272 N LEU A 82 5.377 7.646 -2.386 1.00 0.00 N ATOM 1273 CA LEU A 82 4.777 6.732 -3.376 1.00 0.00 C ATOM 1274 C LEU A 82 5.461 6.863 -4.750 1.00 0.00 C ATOM 1275 O LEU A 82 5.663 5.860 -5.444 1.00 0.00 O ATOM 1276 CB LEU A 82 3.259 7.004 -3.463 1.00 0.00 C ATOM 1277 CG LEU A 82 2.477 6.686 -2.144 1.00 0.00 C ATOM 1278 CD1 LEU A 82 1.075 7.295 -2.142 1.00 0.00 C ATOM 1279 CD2 LEU A 82 2.408 5.169 -1.892 1.00 0.00 C ATOM 0 H LEU A 82 4.787 8.446 -2.158 1.00 0.00 H new ATOM 0 HA LEU A 82 4.931 5.703 -3.052 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.102 8.051 -3.722 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.840 6.409 -4.274 1.00 0.00 H new ATOM 0 HG LEU A 82 3.034 7.148 -1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.572 7.047 -1.207 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.149 8.378 -2.238 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.503 6.894 -2.979 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.859 4.978 -0.970 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.898 4.685 -2.725 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.418 4.769 -1.803 1.00 0.00 H new ATOM 1291 N GLN A 83 5.837 8.106 -5.112 1.00 0.00 N ATOM 1292 CA GLN A 83 6.613 8.388 -6.337 1.00 0.00 C ATOM 1293 C GLN A 83 8.021 7.776 -6.231 1.00 0.00 C ATOM 1294 O GLN A 83 8.515 7.174 -7.188 1.00 0.00 O ATOM 1295 CB GLN A 83 6.703 9.921 -6.599 1.00 0.00 C ATOM 1296 CG GLN A 83 5.382 10.558 -7.081 1.00 0.00 C ATOM 1297 CD GLN A 83 5.432 12.078 -7.284 1.00 0.00 C ATOM 1298 OE1 GLN A 83 4.787 12.608 -8.181 1.00 0.00 O ATOM 1299 NE2 GLN A 83 6.139 12.793 -6.422 1.00 0.00 N ATOM 0 H GLN A 83 5.613 8.939 -4.567 1.00 0.00 H new ATOM 0 HA GLN A 83 6.096 7.931 -7.181 1.00 0.00 H new ATOM 0 HB2 GLN A 83 7.019 10.417 -5.682 1.00 0.00 H new ATOM 0 HB3 GLN A 83 7.476 10.106 -7.345 1.00 0.00 H new ATOM 0 HG2 GLN A 83 5.093 10.090 -8.022 1.00 0.00 H new ATOM 0 HG3 GLN A 83 4.600 10.329 -6.357 1.00 0.00 H new ATOM 0 HE21 GLN A 83 6.667 12.326 -5.685 1.00 0.00 H new ATOM 0 HE22 GLN A 83 6.155 13.810 -6.496 1.00 0.00 H new ATOM 1308 N ASP A 84 8.634 7.909 -5.044 1.00 0.00 N ATOM 1309 CA ASP A 84 9.985 7.387 -4.759 1.00 0.00 C ATOM 1310 C ASP A 84 9.997 5.850 -4.776 1.00 0.00 C ATOM 1311 O ASP A 84 10.903 5.229 -5.348 1.00 0.00 O ATOM 1312 CB ASP A 84 10.479 7.900 -3.383 1.00 0.00 C ATOM 1313 CG ASP A 84 11.888 7.402 -2.997 1.00 0.00 C ATOM 1314 OD1 ASP A 84 12.880 7.866 -3.601 1.00 0.00 O ATOM 1315 OD2 ASP A 84 12.012 6.560 -2.075 1.00 0.00 O ATOM 0 H ASP A 84 8.206 8.384 -4.249 1.00 0.00 H new ATOM 0 HA ASP A 84 10.656 7.746 -5.539 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.480 8.990 -3.392 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.771 7.588 -2.615 1.00 0.00 H new ATOM 1320 N ALA A 85 8.964 5.254 -4.153 1.00 0.00 N ATOM 1321 CA ALA A 85 8.860 3.804 -3.964 1.00 0.00 C ATOM 1322 C ALA A 85 8.704 3.064 -5.300 1.00 0.00 C ATOM 1323 O ALA A 85 9.280 1.978 -5.481 1.00 0.00 O ATOM 1324 CB ALA A 85 7.702 3.473 -3.014 1.00 0.00 C ATOM 0 H ALA A 85 8.175 5.772 -3.766 1.00 0.00 H new ATOM 0 HA ALA A 85 9.791 3.459 -3.514 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.636 2.393 -2.883 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.878 3.946 -2.048 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.768 3.845 -3.436 1.00 0.00 H new ATOM 1330 N LYS A 86 7.906 3.638 -6.217 1.00 0.00 N ATOM 1331 CA LYS A 86 7.729 3.050 -7.552 1.00 0.00 C ATOM 1332 C LYS A 86 8.983 3.197 -8.425 1.00 0.00 C ATOM 1333 O LYS A 86 9.357 2.232 -9.069 1.00 0.00 O ATOM 1334 CB LYS A 86 6.478 3.587 -8.293 1.00 0.00 C ATOM 1335 CG LYS A 86 6.425 5.108 -8.516 1.00 0.00 C ATOM 1336 CD LYS A 86 5.283 5.515 -9.467 1.00 0.00 C ATOM 1337 CE LYS A 86 5.506 4.978 -10.887 1.00 0.00 C ATOM 1338 NZ LYS A 86 4.351 5.236 -11.772 1.00 0.00 N ATOM 0 H LYS A 86 7.380 4.498 -6.060 1.00 0.00 H new ATOM 0 HA LYS A 86 7.565 1.987 -7.377 1.00 0.00 H new ATOM 0 HB2 LYS A 86 6.417 3.096 -9.264 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.593 3.292 -7.730 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.294 5.610 -7.557 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.376 5.447 -8.926 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.336 5.138 -9.080 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.205 6.602 -9.497 1.00 0.00 H new ATOM 0 HE2 LYS A 86 6.397 5.440 -11.312 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.694 3.905 -10.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.548 4.856 -12.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.505 4.774 -11.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.186 6.261 -11.838 1.00 0.00 H new ATOM 1352 N LEU A 87 9.652 4.380 -8.437 1.00 0.00 N ATOM 1353 CA LEU A 87 10.786 4.616 -9.377 1.00 0.00 C ATOM 1354 C LEU A 87 11.994 3.720 -9.050 1.00 0.00 C ATOM 1355 O LEU A 87 12.701 3.273 -9.955 1.00 0.00 O ATOM 1356 CB LEU A 87 11.165 6.134 -9.509 1.00 0.00 C ATOM 1357 CG LEU A 87 11.562 6.949 -8.220 1.00 0.00 C ATOM 1358 CD1 LEU A 87 12.985 6.632 -7.699 1.00 0.00 C ATOM 1359 CD2 LEU A 87 11.407 8.468 -8.463 1.00 0.00 C ATOM 0 H LEU A 87 9.436 5.167 -7.825 1.00 0.00 H new ATOM 0 HA LEU A 87 10.439 4.320 -10.367 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.998 6.203 -10.209 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.319 6.643 -9.970 1.00 0.00 H new ATOM 0 HG LEU A 87 10.870 6.631 -7.440 1.00 0.00 H new ATOM 0 HD11 LEU A 87 13.189 7.230 -6.810 1.00 0.00 H new ATOM 0 HD12 LEU A 87 13.053 5.574 -7.448 1.00 0.00 H new ATOM 0 HD13 LEU A 87 13.717 6.869 -8.471 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.686 9.011 -7.560 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.055 8.773 -9.285 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.371 8.692 -8.715 1.00 0.00 H new ATOM 1371 N LYS A 88 12.212 3.447 -7.747 1.00 0.00 N ATOM 1372 CA LYS A 88 13.250 2.492 -7.302 1.00 0.00 C ATOM 1373 C LYS A 88 12.827 1.040 -7.640 1.00 0.00 C ATOM 1374 O LYS A 88 13.677 0.202 -7.953 1.00 0.00 O ATOM 1375 CB LYS A 88 13.541 2.644 -5.781 1.00 0.00 C ATOM 1376 CG LYS A 88 12.355 2.284 -4.870 1.00 0.00 C ATOM 1377 CD LYS A 88 12.724 2.136 -3.379 1.00 0.00 C ATOM 1378 CE LYS A 88 11.548 1.559 -2.570 1.00 0.00 C ATOM 1379 NZ LYS A 88 11.009 0.313 -3.191 1.00 0.00 N ATOM 0 H LYS A 88 11.684 3.873 -6.985 1.00 0.00 H new ATOM 0 HA LYS A 88 14.171 2.718 -7.838 1.00 0.00 H new ATOM 0 HB2 LYS A 88 14.389 2.011 -5.520 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.838 3.673 -5.581 1.00 0.00 H new ATOM 0 HG2 LYS A 88 11.589 3.053 -4.968 1.00 0.00 H new ATOM 0 HG3 LYS A 88 11.915 1.350 -5.218 1.00 0.00 H new ATOM 0 HD2 LYS A 88 13.592 1.484 -3.279 1.00 0.00 H new ATOM 0 HD3 LYS A 88 13.006 3.107 -2.973 1.00 0.00 H new ATOM 0 HE2 LYS A 88 11.876 1.346 -1.553 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.755 2.303 -2.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.714 -0.348 -2.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.190 0.549 -3.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.746 -0.131 -3.775 1.00 0.00 H new ATOM 1393 N ALA A 89 11.503 0.754 -7.558 1.00 0.00 N ATOM 1394 CA ALA A 89 10.927 -0.554 -7.938 1.00 0.00 C ATOM 1395 C ALA A 89 11.007 -0.800 -9.467 1.00 0.00 C ATOM 1396 O ALA A 89 11.025 -1.949 -9.905 1.00 0.00 O ATOM 1397 CB ALA A 89 9.480 -0.661 -7.422 1.00 0.00 C ATOM 0 H ALA A 89 10.809 1.424 -7.227 1.00 0.00 H new ATOM 0 HA ALA A 89 11.522 -1.337 -7.468 1.00 0.00 H new ATOM 0 HB1 ALA A 89 9.063 -1.627 -7.706 1.00 0.00 H new ATOM 0 HB2 ALA A 89 9.473 -0.568 -6.336 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.878 0.136 -7.858 1.00 0.00 H new