USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 697 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 7 THR OG1 : rot -17:sc= 0.324 USER MOD Set 1.2: A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -166:sc= -0.0275 (180deg=-0.242) USER MOD Single : A 12 SER OG : rot 19:sc= -1.02! USER MOD Single : A 13 ASN :FLIP amide:sc= -0.476 F(o=-1.7,f=-0.48) USER MOD Single : A 15 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0831) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -40:sc= 0.981 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -159:sc= -0.0714 (180deg=-0.495) USER MOD Single : A 36 HIS : no HD1:sc= -0.0869 X(o=-0.087,f=-0.46) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 156:sc= -2.83 (180deg=-5.14!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.743 USER MOD Single : A 56 SER OG : rot 10:sc= 1.17 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 ASN : amide:sc= -1.4 K(o=-1.4,f=-5.7!) USER MOD Single : A 70 THR OG1 : rot -95:sc= 0.575 USER MOD Single : A 72 LYS NZ :NH3+ 171:sc= 0.528 (180deg=0.485) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -179:sc= 0 (180deg=-3.88e-05) USER MOD Single : A 76 ASN : amide:sc= 0.481 K(o=0.48,f=-0.11) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 141:sc= -0.847! USER MOD ----------------------------------------------------------------- ATOM 33 N LYS A 3 4.467 15.217 28.465 1.00 0.00 N ATOM 34 CA LYS A 3 4.609 15.063 29.907 1.00 0.00 C ATOM 35 C LYS A 3 5.962 15.594 30.363 1.00 0.00 C ATOM 36 O LYS A 3 6.891 14.825 30.608 1.00 0.00 O ATOM 37 CB LYS A 3 4.472 13.592 30.283 1.00 0.00 C ATOM 38 CG LYS A 3 5.254 12.698 29.324 1.00 0.00 C ATOM 39 CD LYS A 3 6.244 11.813 30.076 1.00 0.00 C ATOM 40 CE LYS A 3 5.654 10.432 30.347 1.00 0.00 C ATOM 41 NZ LYS A 3 6.310 9.784 31.518 1.00 0.00 N ATOM 0 HA LYS A 3 3.825 15.634 30.403 1.00 0.00 H new ATOM 0 HB2 LYS A 3 4.832 13.440 31.300 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.420 13.308 30.271 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.562 12.074 28.758 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.789 13.315 28.603 1.00 0.00 H new ATOM 0 HD2 LYS A 3 7.160 11.712 29.494 1.00 0.00 H new ATOM 0 HD3 LYS A 3 6.516 12.287 31.019 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.583 10.521 30.530 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.775 9.803 29.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.888 8.847 31.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 7.328 9.678 31.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 6.173 10.374 32.363 1.00 0.00 H new ATOM 55 N VAL A 4 6.066 16.915 30.472 1.00 0.00 N ATOM 56 CA VAL A 4 7.306 17.561 30.895 1.00 0.00 C ATOM 57 C VAL A 4 7.840 16.916 32.166 1.00 0.00 C ATOM 58 O VAL A 4 7.127 16.196 32.865 1.00 0.00 O ATOM 59 CB VAL A 4 7.061 19.060 31.111 1.00 0.00 C ATOM 60 CG1 VAL A 4 5.764 19.280 31.885 1.00 0.00 C ATOM 61 CG2 VAL A 4 8.230 19.742 31.824 1.00 0.00 C ATOM 0 H VAL A 4 5.303 17.562 30.272 1.00 0.00 H new ATOM 0 HA VAL A 4 8.055 17.434 30.113 1.00 0.00 H new ATOM 0 HB VAL A 4 6.973 19.518 30.126 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.604 20.348 32.030 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.929 18.861 31.323 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.831 18.788 32.855 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.009 20.801 31.954 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.380 19.281 32.800 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.135 19.631 31.227 1.00 0.00 H new ATOM 71 N THR A 5 9.104 17.189 32.451 1.00 0.00 N ATOM 72 CA THR A 5 9.764 16.650 33.635 1.00 0.00 C ATOM 73 C THR A 5 10.695 17.692 34.244 1.00 0.00 C ATOM 74 O THR A 5 11.479 18.325 33.538 1.00 0.00 O ATOM 75 CB THR A 5 10.555 15.399 33.267 1.00 0.00 C ATOM 76 OG1 THR A 5 11.311 15.633 32.089 1.00 0.00 O ATOM 77 CG2 THR A 5 9.623 14.208 33.063 1.00 0.00 C ATOM 0 H THR A 5 9.699 17.785 31.875 1.00 0.00 H new ATOM 0 HA THR A 5 9.003 16.388 34.370 1.00 0.00 H new ATOM 0 HB THR A 5 11.233 15.166 34.088 1.00 0.00 H new ATOM 0 HG1 THR A 5 11.818 14.826 31.860 1.00 0.00 H new ATOM 0 HG21 THR A 5 10.210 13.327 32.801 1.00 0.00 H new ATOM 0 HG22 THR A 5 9.071 14.016 33.983 1.00 0.00 H new ATOM 0 HG23 THR A 5 8.921 14.429 32.259 1.00 0.00 H new ATOM 85 N PHE A 6 10.603 17.865 35.559 1.00 0.00 N ATOM 86 CA PHE A 6 11.438 18.831 36.267 1.00 0.00 C ATOM 87 C PHE A 6 12.596 18.122 36.959 1.00 0.00 C ATOM 88 O PHE A 6 12.634 16.894 37.021 1.00 0.00 O ATOM 89 CB PHE A 6 10.602 19.587 37.294 1.00 0.00 C ATOM 90 CG PHE A 6 9.387 20.242 36.689 1.00 0.00 C ATOM 91 CD1 PHE A 6 8.295 19.474 36.322 1.00 0.00 C ATOM 92 CD2 PHE A 6 9.362 21.614 36.498 1.00 0.00 C ATOM 93 CE1 PHE A 6 7.179 20.076 35.765 1.00 0.00 C ATOM 94 CE2 PHE A 6 8.246 22.217 35.941 1.00 0.00 C ATOM 95 CZ PHE A 6 7.155 21.448 35.575 1.00 0.00 C ATOM 0 H PHE A 6 9.958 17.348 36.157 1.00 0.00 H new ATOM 0 HA PHE A 6 11.843 19.540 35.545 1.00 0.00 H new ATOM 0 HB2 PHE A 6 10.286 18.898 38.077 1.00 0.00 H new ATOM 0 HB3 PHE A 6 11.220 20.348 37.770 1.00 0.00 H new ATOM 0 HD1 PHE A 6 8.313 18.404 36.470 1.00 0.00 H new ATOM 0 HD2 PHE A 6 10.213 22.214 36.784 1.00 0.00 H new ATOM 0 HE1 PHE A 6 6.328 19.476 35.479 1.00 0.00 H new ATOM 0 HE2 PHE A 6 8.227 23.287 35.792 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.285 21.918 35.141 1.00 0.00 H new ATOM 105 N THR A 7 13.539 18.903 37.479 1.00 0.00 N ATOM 106 CA THR A 7 14.699 18.345 38.166 1.00 0.00 C ATOM 107 C THR A 7 15.428 19.430 38.947 1.00 0.00 C ATOM 108 O THR A 7 15.697 20.511 38.424 1.00 0.00 O ATOM 109 CB THR A 7 15.648 17.711 37.152 1.00 0.00 C ATOM 110 OG1 THR A 7 14.982 16.678 36.443 1.00 0.00 O ATOM 111 CG2 THR A 7 16.890 17.153 37.844 1.00 0.00 C ATOM 0 H THR A 7 13.522 19.922 37.438 1.00 0.00 H new ATOM 0 HA THR A 7 14.356 17.582 38.865 1.00 0.00 H new ATOM 0 HB THR A 7 15.964 18.482 36.450 1.00 0.00 H new ATOM 0 HG1 THR A 7 14.175 16.413 36.932 1.00 0.00 H new ATOM 0 HG21 THR A 7 17.551 16.707 37.101 1.00 0.00 H new ATOM 0 HG22 THR A 7 17.414 17.959 38.357 1.00 0.00 H new ATOM 0 HG23 THR A 7 16.593 16.394 38.568 1.00 0.00 H new ATOM 119 N VAL A 8 15.749 19.134 40.202 1.00 0.00 N ATOM 120 CA VAL A 8 16.452 20.084 41.056 1.00 0.00 C ATOM 121 C VAL A 8 17.896 20.235 40.597 1.00 0.00 C ATOM 122 O VAL A 8 18.734 19.371 40.855 1.00 0.00 O ATOM 123 CB VAL A 8 16.412 19.610 42.506 1.00 0.00 C ATOM 124 CG1 VAL A 8 17.002 20.670 43.431 1.00 0.00 C ATOM 125 CG2 VAL A 8 14.981 19.275 42.919 1.00 0.00 C ATOM 0 H VAL A 8 15.533 18.244 40.650 1.00 0.00 H new ATOM 0 HA VAL A 8 15.958 21.053 40.985 1.00 0.00 H new ATOM 0 HB VAL A 8 17.015 18.706 42.590 1.00 0.00 H new ATOM 0 HG11 VAL A 8 16.965 20.315 44.461 1.00 0.00 H new ATOM 0 HG12 VAL A 8 18.037 20.862 43.150 1.00 0.00 H new ATOM 0 HG13 VAL A 8 16.425 21.591 43.344 1.00 0.00 H new ATOM 0 HG21 VAL A 8 14.971 18.939 43.956 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.356 20.163 42.819 1.00 0.00 H new ATOM 0 HG23 VAL A 8 14.593 18.484 42.277 1.00 0.00 H new ATOM 135 N GLU A 9 18.181 21.338 39.911 1.00 0.00 N ATOM 136 CA GLU A 9 19.526 21.606 39.408 1.00 0.00 C ATOM 137 C GLU A 9 20.555 21.437 40.519 1.00 0.00 C ATOM 138 O GLU A 9 20.203 21.281 41.688 1.00 0.00 O ATOM 139 CB GLU A 9 19.598 23.022 38.844 1.00 0.00 C ATOM 140 CG GLU A 9 19.580 23.012 37.317 1.00 0.00 C ATOM 141 CD GLU A 9 20.849 22.361 36.780 1.00 0.00 C ATOM 142 OE1 GLU A 9 21.936 22.955 36.939 1.00 0.00 O ATOM 143 OE2 GLU A 9 20.753 21.259 36.202 1.00 0.00 O ATOM 0 H GLU A 9 17.498 22.062 39.690 1.00 0.00 H new ATOM 0 HA GLU A 9 19.749 20.892 38.615 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.757 23.607 39.216 1.00 0.00 H new ATOM 0 HB3 GLU A 9 20.507 23.510 39.196 1.00 0.00 H new ATOM 0 HG2 GLU A 9 18.705 22.469 36.960 1.00 0.00 H new ATOM 0 HG3 GLU A 9 19.498 24.032 36.940 1.00 0.00 H new ATOM 150 N LYS A 10 21.830 21.468 40.144 1.00 0.00 N ATOM 151 CA LYS A 10 22.917 21.317 41.107 1.00 0.00 C ATOM 152 C LYS A 10 23.055 22.570 41.966 1.00 0.00 C ATOM 153 O LYS A 10 23.617 22.521 43.060 1.00 0.00 O ATOM 154 CB LYS A 10 24.226 21.043 40.372 1.00 0.00 C ATOM 155 CG LYS A 10 24.333 19.576 39.964 1.00 0.00 C ATOM 156 CD LYS A 10 25.721 19.251 39.418 1.00 0.00 C ATOM 157 CE LYS A 10 25.977 19.967 38.095 1.00 0.00 C ATOM 158 NZ LYS A 10 25.084 19.452 37.019 1.00 0.00 N ATOM 0 H LYS A 10 22.137 21.596 39.180 1.00 0.00 H new ATOM 0 HA LYS A 10 22.687 20.475 41.760 1.00 0.00 H new ATOM 0 HB2 LYS A 10 24.288 21.675 39.486 1.00 0.00 H new ATOM 0 HB3 LYS A 10 25.068 21.308 41.012 1.00 0.00 H new ATOM 0 HG2 LYS A 10 24.121 18.941 40.824 1.00 0.00 H new ATOM 0 HG3 LYS A 10 23.581 19.351 39.208 1.00 0.00 H new ATOM 0 HD2 LYS A 10 26.478 19.544 40.145 1.00 0.00 H new ATOM 0 HD3 LYS A 10 25.815 18.174 39.276 1.00 0.00 H new ATOM 0 HE2 LYS A 10 25.817 21.038 38.222 1.00 0.00 H new ATOM 0 HE3 LYS A 10 27.018 19.833 37.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 25.432 19.776 36.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 25.077 18.412 37.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 24.118 19.808 37.169 1.00 0.00 H new ATOM 172 N GLY A 11 22.543 23.693 41.468 1.00 0.00 N ATOM 173 CA GLY A 11 22.614 24.955 42.195 1.00 0.00 C ATOM 174 C GLY A 11 21.385 25.146 43.075 1.00 0.00 C ATOM 175 O GLY A 11 20.754 26.204 43.054 1.00 0.00 O ATOM 0 H GLY A 11 22.075 23.753 40.564 1.00 0.00 H new ATOM 0 HA2 GLY A 11 23.513 24.974 42.810 1.00 0.00 H new ATOM 0 HA3 GLY A 11 22.693 25.782 41.489 1.00 0.00 H new ATOM 179 N SER A 12 21.049 24.120 43.851 1.00 0.00 N ATOM 180 CA SER A 12 19.895 24.179 44.741 1.00 0.00 C ATOM 181 C SER A 12 20.292 24.783 46.081 1.00 0.00 C ATOM 182 O SER A 12 21.320 24.423 46.654 1.00 0.00 O ATOM 183 CB SER A 12 19.326 22.779 44.952 1.00 0.00 C ATOM 184 OG SER A 12 20.185 22.010 45.780 1.00 0.00 O ATOM 0 H SER A 12 21.560 23.238 43.881 1.00 0.00 H new ATOM 0 HA SER A 12 19.133 24.809 44.283 1.00 0.00 H new ATOM 0 HB2 SER A 12 18.338 22.847 45.407 1.00 0.00 H new ATOM 0 HB3 SER A 12 19.200 22.283 43.990 1.00 0.00 H new ATOM 0 HG SER A 12 20.780 22.608 46.279 1.00 0.00 H new ATOM 190 N ASN A 13 19.472 25.703 46.578 1.00 0.00 N ATOM 191 CA ASN A 13 19.740 26.357 47.853 1.00 0.00 C ATOM 192 C ASN A 13 18.477 26.397 48.702 1.00 0.00 C ATOM 193 O ASN A 13 17.373 26.183 48.202 1.00 0.00 O ATOM 194 CB ASN A 13 20.252 27.773 47.613 1.00 0.00 C ATOM 195 CG ASN A 13 21.327 27.768 46.534 1.00 0.00 C ATOM 196 OD1 ASN A 13 20.904 27.694 45.277 1.00 0.00 O flip ATOM 197 ND2 ASN A 13 22.520 27.830 46.832 1.00 0.00 N flip ATOM 0 H ASN A 13 18.616 26.012 46.117 1.00 0.00 H new ATOM 0 HA ASN A 13 20.502 25.788 48.386 1.00 0.00 H new ATOM 0 HB2 ASN A 13 19.428 28.419 47.312 1.00 0.00 H new ATOM 0 HB3 ASN A 13 20.657 28.183 48.538 1.00 0.00 H new ATOM 0 HD21 ASN A 13 22.799 27.886 47.812 1.00 0.00 H new ATOM 0 HD22 ASN A 13 23.230 27.826 46.099 1.00 0.00 H new ATOM 204 N GLU A 14 18.645 26.672 49.990 1.00 0.00 N ATOM 205 CA GLU A 14 17.516 26.740 50.911 1.00 0.00 C ATOM 206 C GLU A 14 16.631 27.933 50.576 1.00 0.00 C ATOM 207 O GLU A 14 15.411 27.877 50.732 1.00 0.00 O ATOM 208 CB GLU A 14 18.023 26.852 52.346 1.00 0.00 C ATOM 209 CG GLU A 14 19.162 25.871 52.607 1.00 0.00 C ATOM 210 CD GLU A 14 18.868 25.038 53.848 1.00 0.00 C ATOM 211 OE1 GLU A 14 18.885 25.603 54.962 1.00 0.00 O ATOM 212 OE2 GLU A 14 18.622 23.822 53.704 1.00 0.00 O ATOM 0 H GLU A 14 19.552 26.852 50.421 1.00 0.00 H new ATOM 0 HA GLU A 14 16.926 25.829 50.811 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.365 27.869 52.535 1.00 0.00 H new ATOM 0 HB3 GLU A 14 17.205 26.657 53.040 1.00 0.00 H new ATOM 0 HG2 GLU A 14 19.293 25.217 51.745 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.097 26.415 52.739 1.00 0.00 H new ATOM 219 N LYS A 15 17.253 29.017 50.122 1.00 0.00 N ATOM 220 CA LYS A 15 16.537 30.223 49.774 1.00 0.00 C ATOM 221 C LYS A 15 16.182 30.246 48.290 1.00 0.00 C ATOM 222 O LYS A 15 15.284 30.978 47.874 1.00 0.00 O ATOM 223 CB LYS A 15 17.394 31.442 50.120 1.00 0.00 C ATOM 224 CG LYS A 15 16.700 32.747 49.736 1.00 0.00 C ATOM 225 CD LYS A 15 15.254 32.755 50.214 1.00 0.00 C ATOM 226 CE LYS A 15 15.180 32.766 51.737 1.00 0.00 C ATOM 227 NZ LYS A 15 15.605 34.083 52.291 1.00 0.00 N ATOM 0 H LYS A 15 18.262 29.077 49.988 1.00 0.00 H new ATOM 0 HA LYS A 15 15.608 30.249 50.344 1.00 0.00 H new ATOM 0 HB2 LYS A 15 17.609 31.445 51.189 1.00 0.00 H new ATOM 0 HB3 LYS A 15 18.351 31.373 49.603 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.236 33.590 50.172 1.00 0.00 H new ATOM 0 HG3 LYS A 15 16.730 32.875 48.654 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.741 33.630 49.815 1.00 0.00 H new ATOM 0 HD3 LYS A 15 14.735 31.878 49.828 1.00 0.00 H new ATOM 0 HE2 LYS A 15 14.161 32.547 52.055 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.816 31.978 52.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 15.385 34.119 53.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 16.629 34.203 52.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 15.098 34.846 51.800 1.00 0.00 H new ATOM 241 N HIS A 16 16.893 29.455 47.490 1.00 0.00 N ATOM 242 CA HIS A 16 16.645 29.410 46.051 1.00 0.00 C ATOM 243 C HIS A 16 16.255 28.005 45.607 1.00 0.00 C ATOM 244 O HIS A 16 16.896 27.023 45.980 1.00 0.00 O ATOM 245 CB HIS A 16 17.890 29.864 45.297 1.00 0.00 C ATOM 246 CG HIS A 16 18.040 31.353 45.271 1.00 0.00 C ATOM 247 ND1 HIS A 16 18.377 32.096 46.374 1.00 0.00 N ATOM 248 CD2 HIS A 16 17.898 32.259 44.270 1.00 0.00 C ATOM 249 CE1 HIS A 16 18.439 33.374 46.080 1.00 0.00 C ATOM 250 NE2 HIS A 16 18.151 33.513 44.796 1.00 0.00 N ATOM 0 H HIS A 16 17.641 28.840 47.811 1.00 0.00 H new ATOM 0 HA HIS A 16 15.817 30.082 45.825 1.00 0.00 H new ATOM 0 HB2 HIS A 16 18.772 29.422 45.761 1.00 0.00 H new ATOM 0 HB3 HIS A 16 17.847 29.490 44.274 1.00 0.00 H new ATOM 0 HD2 HIS A 16 17.635 32.040 43.246 1.00 0.00 H new ATOM 0 HE1 HIS A 16 18.682 34.172 46.766 1.00 0.00 H new ATOM 0 HE2 HIS A 16 18.121 34.394 44.282 1.00 0.00 H new ATOM 258 N LEU A 17 15.202 27.920 44.798 1.00 0.00 N ATOM 259 CA LEU A 17 14.725 26.638 44.289 1.00 0.00 C ATOM 260 C LEU A 17 15.131 26.469 42.830 1.00 0.00 C ATOM 261 O LEU A 17 14.319 26.651 41.923 1.00 0.00 O ATOM 262 CB LEU A 17 13.203 26.553 44.419 1.00 0.00 C ATOM 263 CG LEU A 17 12.765 25.235 45.059 1.00 0.00 C ATOM 264 CD1 LEU A 17 11.246 25.094 45.003 1.00 0.00 C ATOM 265 CD2 LEU A 17 13.435 24.044 44.373 1.00 0.00 C ATOM 0 H LEU A 17 14.662 28.725 44.481 1.00 0.00 H new ATOM 0 HA LEU A 17 15.176 25.839 44.877 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.841 27.388 45.020 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.747 26.649 43.433 1.00 0.00 H new ATOM 0 HG LEU A 17 13.077 25.246 46.103 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.951 24.151 45.463 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.784 25.921 45.542 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.917 25.110 43.964 1.00 0.00 H new ATOM 0 HD21 LEU A 17 13.107 23.119 44.847 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.159 24.029 43.319 1.00 0.00 H new ATOM 0 HD23 LEU A 17 14.518 24.134 44.464 1.00 0.00 H new ATOM 277 N ALA A 18 16.394 26.123 42.608 1.00 0.00 N ATOM 278 CA ALA A 18 16.909 25.932 41.256 1.00 0.00 C ATOM 279 C ALA A 18 16.417 24.610 40.682 1.00 0.00 C ATOM 280 O ALA A 18 16.734 23.539 41.201 1.00 0.00 O ATOM 281 CB ALA A 18 18.434 25.956 41.272 1.00 0.00 C ATOM 0 H ALA A 18 17.081 25.969 43.346 1.00 0.00 H new ATOM 0 HA ALA A 18 16.545 26.744 40.626 1.00 0.00 H new ATOM 0 HB1 ALA A 18 18.811 25.813 40.259 1.00 0.00 H new ATOM 0 HB2 ALA A 18 18.779 26.916 41.655 1.00 0.00 H new ATOM 0 HB3 ALA A 18 18.804 25.156 41.913 1.00 0.00 H new ATOM 287 N VAL A 19 15.640 24.693 39.607 1.00 0.00 N ATOM 288 CA VAL A 19 15.099 23.506 38.953 1.00 0.00 C ATOM 289 C VAL A 19 15.780 23.291 37.609 1.00 0.00 C ATOM 290 O VAL A 19 16.791 23.922 37.307 1.00 0.00 O ATOM 291 CB VAL A 19 13.589 23.658 38.766 1.00 0.00 C ATOM 292 CG1 VAL A 19 12.917 23.982 40.098 1.00 0.00 C ATOM 293 CG2 VAL A 19 13.272 24.740 37.735 1.00 0.00 C ATOM 0 H VAL A 19 15.370 25.573 39.169 1.00 0.00 H new ATOM 0 HA VAL A 19 15.290 22.636 39.581 1.00 0.00 H new ATOM 0 HB VAL A 19 13.197 22.710 38.397 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.843 24.087 39.947 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.107 23.176 40.807 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.321 24.915 40.492 1.00 0.00 H new ATOM 0 HG21 VAL A 19 12.192 24.828 37.621 1.00 0.00 H new ATOM 0 HG22 VAL A 19 13.680 25.693 38.071 1.00 0.00 H new ATOM 0 HG23 VAL A 19 13.718 24.472 36.777 1.00 0.00 H new ATOM 303 N LEU A 20 15.219 22.396 36.810 1.00 0.00 N ATOM 304 CA LEU A 20 15.766 22.093 35.491 1.00 0.00 C ATOM 305 C LEU A 20 14.641 21.856 34.492 1.00 0.00 C ATOM 306 O LEU A 20 14.320 20.714 34.164 1.00 0.00 O ATOM 307 CB LEU A 20 16.661 20.861 35.564 1.00 0.00 C ATOM 308 CG LEU A 20 17.882 21.013 34.660 1.00 0.00 C ATOM 309 CD1 LEU A 20 18.836 19.837 34.846 1.00 0.00 C ATOM 310 CD2 LEU A 20 17.454 21.132 33.200 1.00 0.00 C ATOM 0 H LEU A 20 14.383 21.864 37.051 1.00 0.00 H new ATOM 0 HA LEU A 20 16.359 22.945 35.158 1.00 0.00 H new ATOM 0 HB2 LEU A 20 16.984 20.703 36.593 1.00 0.00 H new ATOM 0 HB3 LEU A 20 16.094 19.978 35.269 1.00 0.00 H new ATOM 0 HG LEU A 20 18.406 21.927 34.940 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.700 19.963 34.194 1.00 0.00 H new ATOM 0 HD12 LEU A 20 19.167 19.798 35.884 1.00 0.00 H new ATOM 0 HD13 LEU A 20 18.323 18.909 34.594 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.337 21.240 32.570 1.00 0.00 H new ATOM 0 HD22 LEU A 20 16.906 20.236 32.907 1.00 0.00 H new ATOM 0 HD23 LEU A 20 16.813 22.005 33.079 1.00 0.00 H new ATOM 322 N VAL A 21 14.044 22.942 34.010 1.00 0.00 N ATOM 323 CA VAL A 21 12.951 22.854 33.047 1.00 0.00 C ATOM 324 C VAL A 21 13.484 22.998 31.626 1.00 0.00 C ATOM 325 O VAL A 21 13.917 24.076 31.222 1.00 0.00 O ATOM 326 CB VAL A 21 11.920 23.945 33.326 1.00 0.00 C ATOM 327 CG1 VAL A 21 10.645 23.692 32.527 1.00 0.00 C ATOM 328 CG2 VAL A 21 11.610 24.020 34.818 1.00 0.00 C ATOM 0 H VAL A 21 14.299 23.894 34.271 1.00 0.00 H new ATOM 0 HA VAL A 21 12.476 21.878 33.147 1.00 0.00 H new ATOM 0 HB VAL A 21 12.338 24.902 33.013 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.921 24.479 32.738 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.878 23.689 31.462 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.224 22.727 32.809 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.873 24.803 34.998 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.212 23.063 35.155 1.00 0.00 H new ATOM 0 HG23 VAL A 21 12.523 24.248 35.368 1.00 0.00 H new ATOM 338 N LYS A 22 13.448 21.904 30.872 1.00 0.00 N ATOM 339 CA LYS A 22 13.927 21.908 29.493 1.00 0.00 C ATOM 340 C LYS A 22 13.746 20.534 28.863 1.00 0.00 C ATOM 341 O LYS A 22 14.330 19.550 29.318 1.00 0.00 O ATOM 342 CB LYS A 22 15.399 22.306 29.454 1.00 0.00 C ATOM 343 CG LYS A 22 16.212 21.516 30.475 1.00 0.00 C ATOM 344 CD LYS A 22 17.142 20.519 29.789 1.00 0.00 C ATOM 345 CE LYS A 22 18.443 21.186 29.352 1.00 0.00 C ATOM 346 NZ LYS A 22 19.515 20.178 29.114 1.00 0.00 N ATOM 0 H LYS A 22 13.092 21.003 31.192 1.00 0.00 H new ATOM 0 HA LYS A 22 13.344 22.633 28.925 1.00 0.00 H new ATOM 0 HB2 LYS A 22 15.799 22.133 28.455 1.00 0.00 H new ATOM 0 HB3 LYS A 22 15.495 23.373 29.656 1.00 0.00 H new ATOM 0 HG2 LYS A 22 16.798 22.202 31.087 1.00 0.00 H new ATOM 0 HG3 LYS A 22 15.538 20.985 31.148 1.00 0.00 H new ATOM 0 HD2 LYS A 22 17.363 19.697 30.469 1.00 0.00 H new ATOM 0 HD3 LYS A 22 16.642 20.089 28.921 1.00 0.00 H new ATOM 0 HE2 LYS A 22 18.272 21.760 28.441 1.00 0.00 H new ATOM 0 HE3 LYS A 22 18.767 21.891 30.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 20.387 20.662 28.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 19.694 19.648 29.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 19.213 19.520 28.367 1.00 0.00 H new ATOM 360 N TYR A 23 12.936 20.472 27.812 1.00 0.00 N ATOM 361 CA TYR A 23 12.680 19.216 27.115 1.00 0.00 C ATOM 362 C TYR A 23 12.376 19.479 25.646 1.00 0.00 C ATOM 363 O TYR A 23 12.228 20.627 25.228 1.00 0.00 O ATOM 364 CB TYR A 23 11.509 18.485 27.767 1.00 0.00 C ATOM 365 CG TYR A 23 10.306 19.367 27.979 1.00 0.00 C ATOM 366 CD1 TYR A 23 10.302 20.300 29.001 1.00 0.00 C ATOM 367 CD2 TYR A 23 9.201 19.244 27.153 1.00 0.00 C ATOM 368 CE1 TYR A 23 9.195 21.109 29.197 1.00 0.00 C ATOM 369 CE2 TYR A 23 8.095 20.054 27.350 1.00 0.00 C ATOM 370 CZ TYR A 23 8.097 20.982 28.371 1.00 0.00 C ATOM 371 OH TYR A 23 6.998 21.786 28.566 1.00 0.00 O ATOM 0 H TYR A 23 12.445 21.277 27.423 1.00 0.00 H new ATOM 0 HA TYR A 23 13.571 18.591 27.182 1.00 0.00 H new ATOM 0 HB2 TYR A 23 11.225 17.637 27.143 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.830 18.081 28.727 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.163 20.397 29.646 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.202 18.516 26.355 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.191 21.837 29.994 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.233 19.959 26.706 1.00 0.00 H new ATOM 0 HH TYR A 23 6.831 21.884 29.527 1.00 0.00 H new ATOM 381 N GLU A 24 12.286 18.407 24.865 1.00 0.00 N ATOM 382 CA GLU A 24 12.001 18.519 23.438 1.00 0.00 C ATOM 383 C GLU A 24 10.502 18.425 23.188 1.00 0.00 C ATOM 384 O GLU A 24 9.783 17.741 23.915 1.00 0.00 O ATOM 385 CB GLU A 24 12.726 17.414 22.676 1.00 0.00 C ATOM 386 CG GLU A 24 12.888 17.773 21.203 1.00 0.00 C ATOM 387 CD GLU A 24 14.080 18.702 21.016 1.00 0.00 C ATOM 388 OE1 GLU A 24 15.229 18.217 21.082 1.00 0.00 O ATOM 389 OE2 GLU A 24 13.863 19.914 20.804 1.00 0.00 O ATOM 0 H GLU A 24 12.406 17.450 25.196 1.00 0.00 H new ATOM 0 HA GLU A 24 12.354 19.488 23.085 1.00 0.00 H new ATOM 0 HB2 GLU A 24 13.706 17.245 23.121 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.169 16.481 22.766 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.028 16.867 20.614 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.981 18.255 20.837 1.00 0.00 H new ATOM 396 N GLY A 25 10.035 19.117 22.153 1.00 0.00 N ATOM 397 CA GLY A 25 8.618 19.113 21.804 1.00 0.00 C ATOM 398 C GLY A 25 8.010 20.496 21.999 1.00 0.00 C ATOM 399 O GLY A 25 7.221 20.959 21.175 1.00 0.00 O ATOM 0 H GLY A 25 10.618 19.688 21.541 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.495 18.799 20.767 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.089 18.387 22.422 1.00 0.00 H new ATOM 403 N ASP A 26 8.381 21.151 23.093 1.00 0.00 N ATOM 404 CA ASP A 26 7.872 22.484 23.398 1.00 0.00 C ATOM 405 C ASP A 26 9.017 23.486 23.472 1.00 0.00 C ATOM 406 O ASP A 26 10.186 23.118 23.357 1.00 0.00 O ATOM 407 CB ASP A 26 7.115 22.463 24.723 1.00 0.00 C ATOM 408 CG ASP A 26 5.704 21.930 24.516 1.00 0.00 C ATOM 409 OD1 ASP A 26 5.449 21.314 23.460 1.00 0.00 O ATOM 410 OD2 ASP A 26 4.855 22.130 25.410 1.00 0.00 O ATOM 0 H ASP A 26 9.033 20.781 23.785 1.00 0.00 H new ATOM 0 HA ASP A 26 7.192 22.787 22.602 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.645 21.839 25.443 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.074 23.468 25.142 1.00 0.00 H new ATOM 415 N THR A 27 8.672 24.755 23.664 1.00 0.00 N ATOM 416 CA THR A 27 9.669 25.815 23.754 1.00 0.00 C ATOM 417 C THR A 27 9.762 26.337 25.183 1.00 0.00 C ATOM 418 O THR A 27 9.338 25.668 26.126 1.00 0.00 O ATOM 419 CB THR A 27 9.302 26.954 22.807 1.00 0.00 C ATOM 420 OG1 THR A 27 8.374 26.498 21.836 1.00 0.00 O ATOM 421 CG2 THR A 27 10.546 27.511 22.121 1.00 0.00 C ATOM 0 H THR A 27 7.708 25.074 23.760 1.00 0.00 H new ATOM 0 HA THR A 27 10.639 25.409 23.467 1.00 0.00 H new ATOM 0 HB THR A 27 8.845 27.753 23.391 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.142 27.235 21.233 1.00 0.00 H new ATOM 0 HG21 THR A 27 10.260 28.322 21.451 1.00 0.00 H new ATOM 0 HG22 THR A 27 11.238 27.889 22.874 1.00 0.00 H new ATOM 0 HG23 THR A 27 11.030 26.720 21.548 1.00 0.00 H new ATOM 429 N MET A 28 10.318 27.534 25.336 1.00 0.00 N ATOM 430 CA MET A 28 10.468 28.149 26.651 1.00 0.00 C ATOM 431 C MET A 28 10.106 29.626 26.588 1.00 0.00 C ATOM 432 O MET A 28 10.716 30.392 25.842 1.00 0.00 O ATOM 433 CB MET A 28 11.903 27.987 27.140 1.00 0.00 C ATOM 434 CG MET A 28 12.238 26.520 27.393 1.00 0.00 C ATOM 435 SD MET A 28 13.996 26.255 27.674 1.00 0.00 S ATOM 436 CE MET A 28 14.655 26.577 26.031 1.00 0.00 C ATOM 0 H MET A 28 10.673 28.099 24.565 1.00 0.00 H new ATOM 0 HA MET A 28 9.794 27.652 27.349 1.00 0.00 H new ATOM 0 HB2 MET A 28 12.590 28.397 26.400 1.00 0.00 H new ATOM 0 HB3 MET A 28 12.044 28.558 28.058 1.00 0.00 H new ATOM 0 HG2 MET A 28 11.677 26.166 28.258 1.00 0.00 H new ATOM 0 HG3 MET A 28 11.916 25.924 26.539 1.00 0.00 H new ATOM 0 HE1 MET A 28 15.635 26.109 25.934 1.00 0.00 H new ATOM 0 HE2 MET A 28 13.980 26.165 25.281 1.00 0.00 H new ATOM 0 HE3 MET A 28 14.750 27.653 25.881 1.00 0.00 H new ATOM 446 N ALA A 29 9.109 30.021 27.371 1.00 0.00 N ATOM 447 CA ALA A 29 8.661 31.410 27.401 1.00 0.00 C ATOM 448 C ALA A 29 8.706 31.956 28.822 1.00 0.00 C ATOM 449 O ALA A 29 9.381 32.948 29.095 1.00 0.00 O ATOM 450 CB ALA A 29 7.242 31.504 26.852 1.00 0.00 C ATOM 0 H ALA A 29 8.594 29.399 27.995 1.00 0.00 H new ATOM 0 HA ALA A 29 9.329 32.007 26.780 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.911 32.542 26.876 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.225 31.141 25.824 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.575 30.896 27.463 1.00 0.00 H new ATOM 456 N GLU A 30 7.980 31.304 29.725 1.00 0.00 N ATOM 457 CA GLU A 30 7.933 31.725 31.122 1.00 0.00 C ATOM 458 C GLU A 30 7.623 30.537 32.024 1.00 0.00 C ATOM 459 O GLU A 30 7.129 29.508 31.562 1.00 0.00 O ATOM 460 CB GLU A 30 6.873 32.808 31.302 1.00 0.00 C ATOM 461 CG GLU A 30 7.486 34.099 31.838 1.00 0.00 C ATOM 462 CD GLU A 30 6.464 35.228 31.790 1.00 0.00 C ATOM 463 OE1 GLU A 30 5.281 34.948 31.502 1.00 0.00 O ATOM 464 OE2 GLU A 30 6.848 36.390 32.039 1.00 0.00 O ATOM 0 H GLU A 30 7.415 30.481 29.514 1.00 0.00 H new ATOM 0 HA GLU A 30 8.907 32.128 31.400 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.384 33.004 30.348 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.103 32.456 31.988 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.826 33.950 32.863 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.362 34.367 31.247 1.00 0.00 H new ATOM 471 N VAL A 31 7.915 30.686 33.312 1.00 0.00 N ATOM 472 CA VAL A 31 7.669 29.626 34.286 1.00 0.00 C ATOM 473 C VAL A 31 7.218 30.222 35.612 1.00 0.00 C ATOM 474 O VAL A 31 7.520 31.375 35.919 1.00 0.00 O ATOM 475 CB VAL A 31 8.939 28.805 34.500 1.00 0.00 C ATOM 476 CG1 VAL A 31 8.644 27.578 35.358 1.00 0.00 C ATOM 477 CG2 VAL A 31 9.548 28.388 33.165 1.00 0.00 C ATOM 0 H VAL A 31 8.324 31.533 33.707 1.00 0.00 H new ATOM 0 HA VAL A 31 6.882 28.978 33.901 1.00 0.00 H new ATOM 0 HB VAL A 31 9.663 29.429 35.024 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.560 27.005 35.500 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.261 27.896 36.328 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.900 26.956 34.860 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.451 27.805 33.344 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.830 27.784 32.610 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.799 29.277 32.586 1.00 0.00 H new ATOM 487 N GLU A 32 6.492 29.432 36.395 1.00 0.00 N ATOM 488 CA GLU A 32 6.000 29.880 37.683 1.00 0.00 C ATOM 489 C GLU A 32 5.480 28.702 38.495 1.00 0.00 C ATOM 490 O GLU A 32 4.801 27.822 37.967 1.00 0.00 O ATOM 491 CB GLU A 32 4.892 30.897 37.472 1.00 0.00 C ATOM 492 CG GLU A 32 3.663 30.260 36.830 1.00 0.00 C ATOM 493 CD GLU A 32 3.123 31.157 35.724 1.00 0.00 C ATOM 494 OE1 GLU A 32 3.784 31.266 34.670 1.00 0.00 O ATOM 495 OE2 GLU A 32 2.040 31.750 35.913 1.00 0.00 O ATOM 0 H GLU A 32 6.233 28.475 36.155 1.00 0.00 H new ATOM 0 HA GLU A 32 6.818 30.342 38.235 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.616 31.339 38.429 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.256 31.707 36.840 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.922 29.283 36.422 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.893 30.097 37.584 1.00 0.00 H new ATOM 502 N LEU A 33 5.802 28.693 39.783 1.00 0.00 N ATOM 503 CA LEU A 33 5.364 27.623 40.672 1.00 0.00 C ATOM 504 C LEU A 33 4.218 28.105 41.557 1.00 0.00 C ATOM 505 O LEU A 33 3.886 29.290 41.564 1.00 0.00 O ATOM 506 CB LEU A 33 6.538 27.133 41.524 1.00 0.00 C ATOM 507 CG LEU A 33 6.910 28.133 42.617 1.00 0.00 C ATOM 508 CD1 LEU A 33 6.041 27.913 43.851 1.00 0.00 C ATOM 509 CD2 LEU A 33 8.390 28.012 42.976 1.00 0.00 C ATOM 0 H LEU A 33 6.364 29.414 40.235 1.00 0.00 H new ATOM 0 HA LEU A 33 5.003 26.789 40.070 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.281 26.177 41.980 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.402 26.958 40.883 1.00 0.00 H new ATOM 0 HG LEU A 33 6.732 29.140 42.240 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.316 28.632 44.623 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.992 28.048 43.586 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.193 26.901 44.227 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.635 28.733 43.756 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.596 27.004 43.335 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.996 28.213 42.093 1.00 0.00 H new ATOM 521 N ARG A 34 3.615 27.181 42.298 1.00 0.00 N ATOM 522 CA ARG A 34 2.504 27.518 43.182 1.00 0.00 C ATOM 523 C ARG A 34 2.994 27.703 44.613 1.00 0.00 C ATOM 524 O ARG A 34 3.036 28.827 45.114 1.00 0.00 O ATOM 525 CB ARG A 34 1.442 26.422 43.130 1.00 0.00 C ATOM 526 CG ARG A 34 0.260 26.755 44.036 1.00 0.00 C ATOM 527 CD ARG A 34 -1.060 26.688 43.272 1.00 0.00 C ATOM 528 NE ARG A 34 -2.179 26.955 44.170 1.00 0.00 N ATOM 529 CZ ARG A 34 -3.280 26.210 44.155 1.00 0.00 C ATOM 530 NH1 ARG A 34 -3.286 25.020 44.739 1.00 0.00 N ATOM 531 NH2 ARG A 34 -4.376 26.656 43.557 1.00 0.00 N ATOM 0 H ARG A 34 3.876 26.195 42.304 1.00 0.00 H new ATOM 0 HA ARG A 34 2.065 28.456 42.843 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.094 26.298 42.105 1.00 0.00 H new ATOM 0 HB3 ARG A 34 1.881 25.472 43.435 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.234 26.058 44.874 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.390 27.753 44.455 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.055 27.415 42.460 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.176 25.704 42.818 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.115 27.733 44.826 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.445 24.674 45.201 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.132 24.450 44.726 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.375 27.572 43.108 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.220 26.083 43.546 1.00 0.00 H new ATOM 545 N GLU A 35 3.336 26.584 45.267 1.00 0.00 N ATOM 546 CA GLU A 35 3.808 26.567 46.657 1.00 0.00 C ATOM 547 C GLU A 35 2.624 26.308 47.560 1.00 0.00 C ATOM 548 O GLU A 35 2.043 27.233 48.128 1.00 0.00 O ATOM 549 CB GLU A 35 4.506 27.871 47.054 1.00 0.00 C ATOM 550 CG GLU A 35 5.622 27.613 48.063 1.00 0.00 C ATOM 551 CD GLU A 35 5.120 27.862 49.479 1.00 0.00 C ATOM 552 OE1 GLU A 35 4.536 28.939 49.723 1.00 0.00 O ATOM 553 OE2 GLU A 35 5.311 26.980 50.342 1.00 0.00 O ATOM 0 H GLU A 35 3.292 25.658 44.842 1.00 0.00 H new ATOM 0 HA GLU A 35 4.551 25.776 46.760 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.918 28.351 46.166 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.778 28.561 47.481 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.976 26.586 47.970 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.471 28.263 47.851 1.00 0.00 H new ATOM 560 N HIS A 36 2.253 25.034 47.655 1.00 0.00 N ATOM 561 CA HIS A 36 1.110 24.603 48.453 1.00 0.00 C ATOM 562 C HIS A 36 0.988 25.406 49.748 1.00 0.00 C ATOM 563 O HIS A 36 1.974 25.626 50.451 1.00 0.00 O ATOM 564 CB HIS A 36 1.232 23.117 48.774 1.00 0.00 C ATOM 565 CG HIS A 36 0.101 22.308 48.218 1.00 0.00 C ATOM 566 ND1 HIS A 36 -0.392 22.476 46.949 1.00 0.00 N ATOM 567 CD2 HIS A 36 -0.648 21.311 48.755 1.00 0.00 C ATOM 568 CE1 HIS A 36 -1.378 21.642 46.714 1.00 0.00 C ATOM 569 NE2 HIS A 36 -1.565 20.911 47.801 1.00 0.00 N ATOM 0 H HIS A 36 2.737 24.272 47.181 1.00 0.00 H new ATOM 0 HA HIS A 36 0.209 24.780 47.866 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.173 22.740 48.374 1.00 0.00 H new ATOM 0 HB3 HIS A 36 1.269 22.986 49.855 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -0.546 20.903 49.750 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -1.939 21.566 45.794 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -2.265 20.178 47.915 1.00 0.00 H new ATOM 577 N GLY A 37 -0.229 25.844 50.050 1.00 0.00 N ATOM 578 CA GLY A 37 -0.487 26.627 51.253 1.00 0.00 C ATOM 579 C GLY A 37 -0.915 28.042 50.884 1.00 0.00 C ATOM 580 O GLY A 37 -1.661 28.687 51.620 1.00 0.00 O ATOM 0 H GLY A 37 -1.054 25.670 49.477 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.266 26.148 51.846 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.410 26.661 51.872 1.00 0.00 H new ATOM 584 N SER A 38 -0.438 28.517 49.737 1.00 0.00 N ATOM 585 CA SER A 38 -0.771 29.856 49.263 1.00 0.00 C ATOM 586 C SER A 38 -2.122 29.846 48.560 1.00 0.00 C ATOM 587 O SER A 38 -2.820 28.833 48.552 1.00 0.00 O ATOM 588 CB SER A 38 0.309 30.355 48.308 1.00 0.00 C ATOM 589 OG SER A 38 0.631 31.709 48.583 1.00 0.00 O ATOM 0 H SER A 38 0.181 27.993 49.118 1.00 0.00 H new ATOM 0 HA SER A 38 -0.826 30.527 50.120 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.201 29.736 48.404 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.036 30.259 47.278 1.00 0.00 H new ATOM 0 HG SER A 38 1.326 32.012 47.963 1.00 0.00 H new ATOM 595 N ASP A 39 -2.487 30.980 47.971 1.00 0.00 N ATOM 596 CA ASP A 39 -3.760 31.102 47.266 1.00 0.00 C ATOM 597 C ASP A 39 -3.535 31.318 45.773 1.00 0.00 C ATOM 598 O ASP A 39 -4.425 31.059 44.962 1.00 0.00 O ATOM 599 CB ASP A 39 -4.564 32.262 47.844 1.00 0.00 C ATOM 600 CG ASP A 39 -3.732 33.538 47.834 1.00 0.00 C ATOM 601 OD1 ASP A 39 -2.639 33.531 47.230 1.00 0.00 O ATOM 602 OD2 ASP A 39 -4.174 34.542 48.432 1.00 0.00 O ATOM 0 H ASP A 39 -1.920 31.828 47.967 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.317 30.175 47.399 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.474 32.408 47.262 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.872 32.028 48.863 1.00 0.00 H new ATOM 607 N GLU A 40 -2.348 31.797 45.410 1.00 0.00 N ATOM 608 CA GLU A 40 -2.022 32.047 44.009 1.00 0.00 C ATOM 609 C GLU A 40 -0.632 31.519 43.677 1.00 0.00 C ATOM 610 O GLU A 40 0.090 31.047 44.555 1.00 0.00 O ATOM 611 CB GLU A 40 -2.092 33.542 43.719 1.00 0.00 C ATOM 612 CG GLU A 40 -3.438 33.924 43.111 1.00 0.00 C ATOM 613 CD GLU A 40 -3.618 35.436 43.136 1.00 0.00 C ATOM 614 OE1 GLU A 40 -2.655 36.156 42.797 1.00 0.00 O ATOM 615 OE2 GLU A 40 -4.721 35.899 43.495 1.00 0.00 O ATOM 0 H GLU A 40 -1.598 32.019 46.065 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.748 31.524 43.386 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.935 34.102 44.641 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.289 33.821 43.036 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.498 33.561 42.085 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.245 33.445 43.666 1.00 0.00 H new ATOM 622 N TRP A 41 -0.264 31.603 42.402 1.00 0.00 N ATOM 623 CA TRP A 41 1.041 31.136 41.945 1.00 0.00 C ATOM 624 C TRP A 41 2.086 32.231 42.110 1.00 0.00 C ATOM 625 O TRP A 41 1.758 33.368 42.450 1.00 0.00 O ATOM 626 CB TRP A 41 0.960 30.720 40.479 1.00 0.00 C ATOM 627 CG TRP A 41 -0.073 29.665 40.232 1.00 0.00 C ATOM 628 CD1 TRP A 41 -1.428 29.840 40.173 1.00 0.00 C ATOM 629 CD2 TRP A 41 0.165 28.260 40.004 1.00 0.00 C ATOM 630 NE1 TRP A 41 -2.018 28.632 39.927 1.00 0.00 N ATOM 631 CE2 TRP A 41 -1.082 27.651 39.818 1.00 0.00 C ATOM 632 CE3 TRP A 41 1.309 27.463 39.941 1.00 0.00 C ATOM 633 CZ2 TRP A 41 -1.209 26.294 39.576 1.00 0.00 C ATOM 634 CZ3 TRP A 41 1.189 26.102 39.698 1.00 0.00 C ATOM 635 CH2 TRP A 41 -0.059 25.522 39.517 1.00 0.00 C ATOM 0 H TRP A 41 -0.853 31.991 41.665 1.00 0.00 H new ATOM 0 HA TRP A 41 1.333 30.277 42.549 1.00 0.00 H new ATOM 0 HB2 TRP A 41 0.732 31.595 39.870 1.00 0.00 H new ATOM 0 HB3 TRP A 41 1.934 30.351 40.156 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -1.947 30.779 40.300 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -3.023 28.486 39.837 1.00 0.00 H new ATOM 0 HE3 TRP A 41 2.285 27.904 40.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.182 25.847 39.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 2.076 25.488 39.649 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -0.135 24.461 39.329 1.00 0.00 H new ATOM 646 N VAL A 42 3.345 31.883 41.863 1.00 0.00 N ATOM 647 CA VAL A 42 4.439 32.840 41.981 1.00 0.00 C ATOM 648 C VAL A 42 5.381 32.716 40.791 1.00 0.00 C ATOM 649 O VAL A 42 6.063 31.704 40.631 1.00 0.00 O ATOM 650 CB VAL A 42 5.206 32.600 43.277 1.00 0.00 C ATOM 651 CG1 VAL A 42 4.387 33.061 44.478 1.00 0.00 C ATOM 652 CG2 VAL A 42 5.576 31.127 43.415 1.00 0.00 C ATOM 0 H VAL A 42 3.633 30.946 41.580 1.00 0.00 H new ATOM 0 HA VAL A 42 4.021 33.847 41.995 1.00 0.00 H new ATOM 0 HB VAL A 42 6.126 33.184 43.245 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.951 32.882 45.393 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.174 34.126 44.386 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.450 32.505 44.514 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.123 30.975 44.346 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.669 30.523 43.424 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.202 30.829 42.574 1.00 0.00 H new ATOM 662 N ALA A 43 5.415 33.751 39.958 1.00 0.00 N ATOM 663 CA ALA A 43 6.277 33.758 38.780 1.00 0.00 C ATOM 664 C ALA A 43 7.705 33.397 39.168 1.00 0.00 C ATOM 665 O ALA A 43 8.285 34.003 40.069 1.00 0.00 O ATOM 666 CB ALA A 43 6.249 35.135 38.122 1.00 0.00 C ATOM 0 H ALA A 43 4.856 34.596 40.076 1.00 0.00 H new ATOM 0 HA ALA A 43 5.908 33.016 38.072 1.00 0.00 H new ATOM 0 HB1 ALA A 43 6.895 35.132 37.244 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.229 35.374 37.821 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.603 35.884 38.830 1.00 0.00 H new ATOM 672 N MET A 44 8.267 32.406 38.485 1.00 0.00 N ATOM 673 CA MET A 44 9.626 31.963 38.760 1.00 0.00 C ATOM 674 C MET A 44 10.610 33.103 38.533 1.00 0.00 C ATOM 675 O MET A 44 10.209 34.247 38.323 1.00 0.00 O ATOM 676 CB MET A 44 9.972 30.782 37.862 1.00 0.00 C ATOM 677 CG MET A 44 9.766 29.459 38.589 1.00 0.00 C ATOM 678 SD MET A 44 11.251 28.908 39.444 1.00 0.00 S ATOM 679 CE MET A 44 11.167 27.132 39.168 1.00 0.00 C ATOM 0 H MET A 44 7.800 31.894 37.736 1.00 0.00 H new ATOM 0 HA MET A 44 9.694 31.651 39.802 1.00 0.00 H new ATOM 0 HB2 MET A 44 9.351 30.808 36.966 1.00 0.00 H new ATOM 0 HB3 MET A 44 11.008 30.862 37.534 1.00 0.00 H new ATOM 0 HG2 MET A 44 8.954 29.565 39.308 1.00 0.00 H new ATOM 0 HG3 MET A 44 9.459 28.697 37.872 1.00 0.00 H new ATOM 0 HE1 MET A 44 12.167 26.705 39.242 1.00 0.00 H new ATOM 0 HE2 MET A 44 10.522 26.677 39.920 1.00 0.00 H new ATOM 0 HE3 MET A 44 10.761 26.937 38.175 1.00 0.00 H new ATOM 689 N THR A 45 11.900 32.787 38.577 1.00 0.00 N ATOM 690 CA THR A 45 12.938 33.793 38.378 1.00 0.00 C ATOM 691 C THR A 45 14.036 33.254 37.471 1.00 0.00 C ATOM 692 O THR A 45 14.515 32.135 37.654 1.00 0.00 O ATOM 693 CB THR A 45 13.530 34.206 39.723 1.00 0.00 C ATOM 694 OG1 THR A 45 12.496 34.621 40.602 1.00 0.00 O ATOM 695 CG2 THR A 45 14.547 35.330 39.545 1.00 0.00 C ATOM 0 H THR A 45 12.251 31.845 38.748 1.00 0.00 H new ATOM 0 HA THR A 45 12.489 34.665 37.902 1.00 0.00 H new ATOM 0 HB THR A 45 14.041 33.345 40.153 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.884 34.883 41.463 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.956 35.608 40.516 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.354 34.991 38.895 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.059 36.195 39.096 1.00 0.00 H new ATOM 703 N LYS A 46 14.430 34.059 36.489 1.00 0.00 N ATOM 704 CA LYS A 46 15.471 33.670 35.547 1.00 0.00 C ATOM 705 C LYS A 46 16.798 34.320 35.919 1.00 0.00 C ATOM 706 O LYS A 46 17.195 35.326 35.331 1.00 0.00 O ATOM 707 CB LYS A 46 15.065 34.081 34.135 1.00 0.00 C ATOM 708 CG LYS A 46 14.724 35.567 34.065 1.00 0.00 C ATOM 709 CD LYS A 46 15.214 36.187 32.760 1.00 0.00 C ATOM 710 CE LYS A 46 16.688 36.572 32.849 1.00 0.00 C ATOM 711 NZ LYS A 46 17.042 37.600 31.830 1.00 0.00 N ATOM 0 H LYS A 46 14.042 34.988 36.326 1.00 0.00 H new ATOM 0 HA LYS A 46 15.594 32.588 35.586 1.00 0.00 H new ATOM 0 HB2 LYS A 46 15.877 33.859 33.442 1.00 0.00 H new ATOM 0 HB3 LYS A 46 14.204 33.493 33.816 1.00 0.00 H new ATOM 0 HG2 LYS A 46 13.645 35.699 34.151 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.177 36.086 34.910 1.00 0.00 H new ATOM 0 HD2 LYS A 46 15.069 35.481 31.942 1.00 0.00 H new ATOM 0 HD3 LYS A 46 14.619 37.070 32.528 1.00 0.00 H new ATOM 0 HE2 LYS A 46 16.906 36.955 33.846 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.307 35.686 32.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 18.050 37.841 31.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 16.856 37.224 30.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 16.468 38.453 31.984 1.00 0.00 H new ATOM 725 N GLY A 47 17.483 33.740 36.900 1.00 0.00 N ATOM 726 CA GLY A 47 18.768 34.265 37.351 1.00 0.00 C ATOM 727 C GLY A 47 19.628 33.157 37.945 1.00 0.00 C ATOM 728 O GLY A 47 20.487 33.410 38.790 1.00 0.00 O ATOM 0 H GLY A 47 17.170 32.907 37.398 1.00 0.00 H new ATOM 0 HA2 GLY A 47 19.291 34.728 36.514 1.00 0.00 H new ATOM 0 HA3 GLY A 47 18.606 35.044 38.096 1.00 0.00 H new ATOM 732 N GLU A 48 19.394 31.927 37.498 1.00 0.00 N ATOM 733 CA GLU A 48 20.149 30.777 37.985 1.00 0.00 C ATOM 734 C GLU A 48 21.273 30.431 37.013 1.00 0.00 C ATOM 735 O GLU A 48 22.276 29.830 37.399 1.00 0.00 O ATOM 736 CB GLU A 48 19.217 29.578 38.163 1.00 0.00 C ATOM 737 CG GLU A 48 19.989 28.318 38.554 1.00 0.00 C ATOM 738 CD GLU A 48 20.861 28.587 39.775 1.00 0.00 C ATOM 739 OE1 GLU A 48 20.302 28.858 40.858 1.00 0.00 O ATOM 740 OE2 GLU A 48 22.102 28.524 39.645 1.00 0.00 O ATOM 0 H GLU A 48 18.687 31.701 36.799 1.00 0.00 H new ATOM 0 HA GLU A 48 20.590 31.029 38.950 1.00 0.00 H new ATOM 0 HB2 GLU A 48 18.476 29.804 38.929 1.00 0.00 H new ATOM 0 HB3 GLU A 48 18.673 29.399 37.236 1.00 0.00 H new ATOM 0 HG2 GLU A 48 19.292 27.508 38.769 1.00 0.00 H new ATOM 0 HG3 GLU A 48 20.610 27.991 37.720 1.00 0.00 H new ATOM 747 N GLY A 49 21.101 30.812 35.751 1.00 0.00 N ATOM 748 CA GLY A 49 22.101 30.541 34.724 1.00 0.00 C ATOM 749 C GLY A 49 21.462 29.859 33.522 1.00 0.00 C ATOM 750 O GLY A 49 21.237 30.485 32.486 1.00 0.00 O ATOM 0 H GLY A 49 20.277 31.310 35.415 1.00 0.00 H new ATOM 0 HA2 GLY A 49 22.572 31.473 34.412 1.00 0.00 H new ATOM 0 HA3 GLY A 49 22.888 29.907 35.133 1.00 0.00 H new ATOM 754 N GLY A 50 21.169 28.572 33.668 1.00 0.00 N ATOM 755 CA GLY A 50 20.552 27.799 32.597 1.00 0.00 C ATOM 756 C GLY A 50 19.135 27.369 32.970 1.00 0.00 C ATOM 757 O GLY A 50 18.366 26.937 32.110 1.00 0.00 O ATOM 0 H GLY A 50 21.349 28.041 34.520 1.00 0.00 H new ATOM 0 HA2 GLY A 50 20.526 28.394 31.684 1.00 0.00 H new ATOM 0 HA3 GLY A 50 21.158 26.918 32.385 1.00 0.00 H new ATOM 761 N VAL A 51 18.791 27.481 34.252 1.00 0.00 N ATOM 762 CA VAL A 51 17.465 27.095 34.724 1.00 0.00 C ATOM 763 C VAL A 51 16.798 28.248 35.459 1.00 0.00 C ATOM 764 O VAL A 51 17.334 29.355 35.519 1.00 0.00 O ATOM 765 CB VAL A 51 17.579 25.895 35.654 1.00 0.00 C ATOM 766 CG1 VAL A 51 18.116 24.681 34.899 1.00 0.00 C ATOM 767 CG2 VAL A 51 18.477 26.228 36.842 1.00 0.00 C ATOM 0 H VAL A 51 19.412 27.835 34.980 1.00 0.00 H new ATOM 0 HA VAL A 51 16.854 26.833 33.860 1.00 0.00 H new ATOM 0 HB VAL A 51 16.585 25.652 36.029 1.00 0.00 H new ATOM 0 HG11 VAL A 51 18.191 23.833 35.580 1.00 0.00 H new ATOM 0 HG12 VAL A 51 17.439 24.432 34.082 1.00 0.00 H new ATOM 0 HG13 VAL A 51 19.102 24.910 34.496 1.00 0.00 H new ATOM 0 HG21 VAL A 51 18.549 25.361 37.498 1.00 0.00 H new ATOM 0 HG22 VAL A 51 19.471 26.495 36.483 1.00 0.00 H new ATOM 0 HG23 VAL A 51 18.053 27.067 37.395 1.00 0.00 H new ATOM 777 N TRP A 52 15.622 27.979 36.015 1.00 0.00 N ATOM 778 CA TRP A 52 14.868 28.990 36.748 1.00 0.00 C ATOM 779 C TRP A 52 14.970 28.748 38.248 1.00 0.00 C ATOM 780 O TRP A 52 15.035 27.605 38.700 1.00 0.00 O ATOM 781 CB TRP A 52 13.405 28.956 36.318 1.00 0.00 C ATOM 782 CG TRP A 52 13.245 28.743 34.845 1.00 0.00 C ATOM 783 CD1 TRP A 52 12.432 27.832 34.232 1.00 0.00 C ATOM 784 CD2 TRP A 52 13.929 29.452 33.794 1.00 0.00 C ATOM 785 NE1 TRP A 52 12.574 27.957 32.878 1.00 0.00 N ATOM 786 CE2 TRP A 52 13.476 28.931 32.575 1.00 0.00 C ATOM 787 CE3 TRP A 52 14.874 30.477 33.768 1.00 0.00 C ATOM 788 CZ2 TRP A 52 13.938 29.403 31.358 1.00 0.00 C ATOM 789 CZ3 TRP A 52 15.342 30.954 32.551 1.00 0.00 C ATOM 790 CH2 TRP A 52 14.876 30.420 31.357 1.00 0.00 C ATOM 0 H TRP A 52 15.169 27.066 35.972 1.00 0.00 H new ATOM 0 HA TRP A 52 15.289 29.970 36.523 1.00 0.00 H new ATOM 0 HB2 TRP A 52 12.890 28.159 36.855 1.00 0.00 H new ATOM 0 HB3 TRP A 52 12.925 29.893 36.601 1.00 0.00 H new ATOM 0 HD1 TRP A 52 11.784 27.129 34.734 1.00 0.00 H new ATOM 0 HE1 TRP A 52 12.073 27.397 32.189 1.00 0.00 H new ATOM 0 HE3 TRP A 52 15.241 30.899 34.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 13.574 28.987 30.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 16.075 31.747 32.533 1.00 0.00 H new ATOM 0 HH2 TRP A 52 15.249 30.802 30.418 1.00 0.00 H new ATOM 801 N THR A 53 14.977 29.832 39.015 1.00 0.00 N ATOM 802 CA THR A 53 15.066 29.744 40.468 1.00 0.00 C ATOM 803 C THR A 53 13.933 30.532 41.112 1.00 0.00 C ATOM 804 O THR A 53 13.265 31.328 40.451 1.00 0.00 O ATOM 805 CB THR A 53 16.412 30.283 40.943 1.00 0.00 C ATOM 806 OG1 THR A 53 16.957 31.155 39.965 1.00 0.00 O ATOM 807 CG2 THR A 53 17.383 29.139 41.224 1.00 0.00 C ATOM 0 H THR A 53 14.922 30.784 38.654 1.00 0.00 H new ATOM 0 HA THR A 53 14.979 28.698 40.762 1.00 0.00 H new ATOM 0 HB THR A 53 16.256 30.837 41.869 1.00 0.00 H new ATOM 0 HG1 THR A 53 17.820 31.498 40.277 1.00 0.00 H new ATOM 0 HG21 THR A 53 18.336 29.546 41.561 1.00 0.00 H new ATOM 0 HG22 THR A 53 16.970 28.493 41.998 1.00 0.00 H new ATOM 0 HG23 THR A 53 17.537 28.561 40.313 1.00 0.00 H new ATOM 815 N PHE A 54 13.718 30.306 42.403 1.00 0.00 N ATOM 816 CA PHE A 54 12.659 30.997 43.134 1.00 0.00 C ATOM 817 C PHE A 54 13.097 31.287 44.564 1.00 0.00 C ATOM 818 O PHE A 54 13.786 30.481 45.188 1.00 0.00 O ATOM 819 CB PHE A 54 11.393 30.146 43.144 1.00 0.00 C ATOM 820 CG PHE A 54 10.269 30.772 43.931 1.00 0.00 C ATOM 821 CD1 PHE A 54 9.598 31.873 43.424 1.00 0.00 C ATOM 822 CD2 PHE A 54 9.906 30.247 45.160 1.00 0.00 C ATOM 823 CE1 PHE A 54 8.565 32.447 44.145 1.00 0.00 C ATOM 824 CE2 PHE A 54 8.873 30.821 45.881 1.00 0.00 C ATOM 825 CZ PHE A 54 8.202 31.921 45.374 1.00 0.00 C ATOM 0 H PHE A 54 14.261 29.651 42.965 1.00 0.00 H new ATOM 0 HA PHE A 54 12.453 31.943 42.633 1.00 0.00 H new ATOM 0 HB2 PHE A 54 11.064 29.982 42.118 1.00 0.00 H new ATOM 0 HB3 PHE A 54 11.623 29.167 43.565 1.00 0.00 H new ATOM 0 HD1 PHE A 54 9.881 32.284 42.466 1.00 0.00 H new ATOM 0 HD2 PHE A 54 10.429 29.389 45.556 1.00 0.00 H new ATOM 0 HE1 PHE A 54 8.042 33.305 43.749 1.00 0.00 H new ATOM 0 HE2 PHE A 54 8.590 30.411 46.839 1.00 0.00 H new ATOM 0 HZ PHE A 54 7.396 32.369 45.936 1.00 0.00 H new ATOM 835 N ASP A 55 12.689 32.443 45.079 1.00 0.00 N ATOM 836 CA ASP A 55 13.037 32.842 46.439 1.00 0.00 C ATOM 837 C ASP A 55 11.993 32.332 47.423 1.00 0.00 C ATOM 838 O ASP A 55 10.906 32.898 47.540 1.00 0.00 O ATOM 839 CB ASP A 55 13.138 34.362 46.528 1.00 0.00 C ATOM 840 CG ASP A 55 14.412 34.846 45.849 1.00 0.00 C ATOM 841 OD1 ASP A 55 15.468 34.874 46.515 1.00 0.00 O ATOM 842 OD2 ASP A 55 14.353 35.197 44.652 1.00 0.00 O ATOM 0 H ASP A 55 12.117 33.120 44.575 1.00 0.00 H new ATOM 0 HA ASP A 55 14.003 32.406 46.695 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.269 34.820 46.055 1.00 0.00 H new ATOM 0 HB3 ASP A 55 13.133 34.673 47.573 1.00 0.00 H new ATOM 847 N SER A 56 12.329 31.258 48.130 1.00 0.00 N ATOM 848 CA SER A 56 11.422 30.666 49.106 1.00 0.00 C ATOM 849 C SER A 56 11.583 31.342 50.461 1.00 0.00 C ATOM 850 O SER A 56 12.518 31.048 51.206 1.00 0.00 O ATOM 851 CB SER A 56 11.704 29.172 49.236 1.00 0.00 C ATOM 852 OG SER A 56 12.942 28.957 49.896 1.00 0.00 O ATOM 0 H SER A 56 13.225 30.779 48.045 1.00 0.00 H new ATOM 0 HA SER A 56 10.398 30.811 48.763 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.900 28.691 49.793 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.727 28.713 48.248 1.00 0.00 H new ATOM 0 HG SER A 56 13.268 29.805 50.264 1.00 0.00 H new ATOM 858 N GLU A 57 10.665 32.249 50.778 1.00 0.00 N ATOM 859 CA GLU A 57 10.704 32.967 52.048 1.00 0.00 C ATOM 860 C GLU A 57 9.691 32.378 53.023 1.00 0.00 C ATOM 861 O GLU A 57 9.224 33.060 53.935 1.00 0.00 O ATOM 862 CB GLU A 57 10.408 34.446 51.821 1.00 0.00 C ATOM 863 CG GLU A 57 11.680 35.217 51.483 1.00 0.00 C ATOM 864 CD GLU A 57 11.357 36.393 50.571 1.00 0.00 C ATOM 865 OE1 GLU A 57 10.832 37.409 51.072 1.00 0.00 O ATOM 866 OE2 GLU A 57 11.628 36.295 49.356 1.00 0.00 O ATOM 0 H GLU A 57 9.885 32.505 50.173 1.00 0.00 H new ATOM 0 HA GLU A 57 11.701 32.864 52.475 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.687 34.555 51.011 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.950 34.869 52.715 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.150 35.576 52.399 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.396 34.555 50.995 1.00 0.00 H new ATOM 873 N GLU A 58 9.357 31.105 52.826 1.00 0.00 N ATOM 874 CA GLU A 58 8.400 30.422 53.690 1.00 0.00 C ATOM 875 C GLU A 58 9.049 29.200 54.332 1.00 0.00 C ATOM 876 O GLU A 58 9.821 28.489 53.689 1.00 0.00 O ATOM 877 CB GLU A 58 7.177 29.996 52.881 1.00 0.00 C ATOM 878 CG GLU A 58 7.584 29.322 51.574 1.00 0.00 C ATOM 879 CD GLU A 58 7.556 30.328 50.430 1.00 0.00 C ATOM 880 OE1 GLU A 58 8.053 31.458 50.618 1.00 0.00 O ATOM 881 OE2 GLU A 58 7.035 29.984 49.348 1.00 0.00 O ATOM 0 H GLU A 58 9.735 30.527 52.076 1.00 0.00 H new ATOM 0 HA GLU A 58 8.085 31.108 54.476 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.568 29.311 53.472 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.559 30.868 52.666 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.584 28.899 51.671 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.908 28.495 51.357 1.00 0.00 H new ATOM 888 N PRO A 59 8.744 28.939 55.615 1.00 0.00 N ATOM 889 CA PRO A 59 9.304 27.792 56.344 1.00 0.00 C ATOM 890 C PRO A 59 8.687 26.471 55.897 1.00 0.00 C ATOM 891 O PRO A 59 9.266 25.404 56.100 1.00 0.00 O ATOM 892 CB PRO A 59 8.963 28.082 57.799 1.00 0.00 C ATOM 893 CG PRO A 59 7.766 28.969 57.757 1.00 0.00 C ATOM 894 CD PRO A 59 7.834 29.733 56.458 1.00 0.00 C ATOM 0 HA PRO A 59 10.374 27.681 56.167 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.751 27.162 58.344 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.795 28.569 58.308 1.00 0.00 H new ATOM 0 HG2 PRO A 59 6.849 28.383 57.813 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.761 29.651 58.607 1.00 0.00 H new ATOM 0 HD2 PRO A 59 6.849 29.828 56.000 1.00 0.00 H new ATOM 0 HD3 PRO A 59 8.213 30.743 56.610 1.00 0.00 H new ATOM 902 N LEU A 60 7.507 26.551 55.289 1.00 0.00 N ATOM 903 CA LEU A 60 6.806 25.363 54.812 1.00 0.00 C ATOM 904 C LEU A 60 7.712 24.535 53.911 1.00 0.00 C ATOM 905 O LEU A 60 8.592 25.070 53.237 1.00 0.00 O ATOM 906 CB LEU A 60 5.550 25.773 54.050 1.00 0.00 C ATOM 907 CG LEU A 60 4.553 26.477 54.966 1.00 0.00 C ATOM 908 CD1 LEU A 60 3.626 27.378 54.156 1.00 0.00 C ATOM 909 CD2 LEU A 60 3.747 25.455 55.763 1.00 0.00 C ATOM 0 H LEU A 60 7.015 27.428 55.115 1.00 0.00 H new ATOM 0 HA LEU A 60 6.523 24.757 55.672 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.821 26.434 53.227 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.084 24.891 53.611 1.00 0.00 H new ATOM 0 HG LEU A 60 5.109 27.099 55.667 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.922 27.872 54.826 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.216 28.130 53.632 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.077 26.777 53.431 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.041 25.974 56.411 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.201 24.807 55.077 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.422 24.853 56.371 1.00 0.00 H new ATOM 921 N GLN A 61 7.488 23.225 53.901 1.00 0.00 N ATOM 922 CA GLN A 61 8.281 22.317 53.079 1.00 0.00 C ATOM 923 C GLN A 61 7.392 21.237 52.476 1.00 0.00 C ATOM 924 O GLN A 61 7.105 20.226 53.117 1.00 0.00 O ATOM 925 CB GLN A 61 9.380 21.675 53.921 1.00 0.00 C ATOM 926 CG GLN A 61 10.373 20.917 53.044 1.00 0.00 C ATOM 927 CD GLN A 61 11.340 20.120 53.910 1.00 0.00 C ATOM 928 OE1 GLN A 61 12.316 20.663 54.428 1.00 0.00 O ATOM 929 NE2 GLN A 61 11.069 18.830 54.067 1.00 0.00 N ATOM 0 H GLN A 61 6.763 22.768 54.454 1.00 0.00 H new ATOM 0 HA GLN A 61 8.738 22.887 52.271 1.00 0.00 H new ATOM 0 HB2 GLN A 61 9.904 22.444 54.488 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.935 20.993 54.646 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.837 20.246 52.372 1.00 0.00 H new ATOM 0 HG3 GLN A 61 10.926 21.618 52.419 1.00 0.00 H new ATOM 0 HE21 GLN A 61 10.248 18.423 53.618 1.00 0.00 H new ATOM 0 HE22 GLN A 61 11.681 18.246 54.636 1.00 0.00 H new ATOM 938 N GLY A 62 6.959 21.459 51.240 1.00 0.00 N ATOM 939 CA GLY A 62 6.101 20.506 50.545 1.00 0.00 C ATOM 940 C GLY A 62 6.350 20.554 49.042 1.00 0.00 C ATOM 941 O GLY A 62 7.411 20.987 48.595 1.00 0.00 O ATOM 0 H GLY A 62 7.188 22.292 50.698 1.00 0.00 H new ATOM 0 HA2 GLY A 62 6.290 19.499 50.918 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.055 20.732 50.753 1.00 0.00 H new ATOM 945 N PRO A 63 5.369 20.104 48.239 1.00 0.00 N ATOM 946 CA PRO A 63 5.487 20.096 46.774 1.00 0.00 C ATOM 947 C PRO A 63 5.301 21.486 46.174 1.00 0.00 C ATOM 948 O PRO A 63 4.743 22.378 46.812 1.00 0.00 O ATOM 949 CB PRO A 63 4.375 19.161 46.321 1.00 0.00 C ATOM 950 CG PRO A 63 3.355 19.194 47.414 1.00 0.00 C ATOM 951 CD PRO A 63 4.073 19.568 48.689 1.00 0.00 C ATOM 0 HA PRO A 63 6.477 19.775 46.450 1.00 0.00 H new ATOM 0 HB2 PRO A 63 3.947 19.490 45.374 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.751 18.150 46.166 1.00 0.00 H new ATOM 0 HG2 PRO A 63 2.573 19.918 47.187 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.871 18.223 47.517 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.512 20.310 49.257 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.205 18.703 49.338 1.00 0.00 H new ATOM 959 N PHE A 64 5.770 21.661 44.942 1.00 0.00 N ATOM 960 CA PHE A 64 5.655 22.941 44.250 1.00 0.00 C ATOM 961 C PHE A 64 5.096 22.738 42.848 1.00 0.00 C ATOM 962 O PHE A 64 5.821 22.348 41.932 1.00 0.00 O ATOM 963 CB PHE A 64 7.020 23.616 44.161 1.00 0.00 C ATOM 964 CG PHE A 64 7.657 23.854 45.507 1.00 0.00 C ATOM 965 CD1 PHE A 64 8.432 22.866 46.090 1.00 0.00 C ATOM 966 CD2 PHE A 64 7.472 25.062 46.159 1.00 0.00 C ATOM 967 CE1 PHE A 64 9.023 23.085 47.323 1.00 0.00 C ATOM 968 CE2 PHE A 64 8.063 25.281 47.393 1.00 0.00 C ATOM 969 CZ PHE A 64 8.838 24.292 47.974 1.00 0.00 C ATOM 0 H PHE A 64 6.234 20.931 44.401 1.00 0.00 H new ATOM 0 HA PHE A 64 4.975 23.578 44.816 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.684 22.998 43.557 1.00 0.00 H new ATOM 0 HB3 PHE A 64 6.913 24.569 43.644 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.576 21.923 45.583 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.867 25.833 45.706 1.00 0.00 H new ATOM 0 HE1 PHE A 64 9.628 22.314 47.776 1.00 0.00 H new ATOM 0 HE2 PHE A 64 7.919 26.223 47.901 1.00 0.00 H new ATOM 0 HZ PHE A 64 9.299 24.463 48.936 1.00 0.00 H new ATOM 979 N ASN A 65 3.806 23.009 42.681 1.00 0.00 N ATOM 980 CA ASN A 65 3.155 22.861 41.382 1.00 0.00 C ATOM 981 C ASN A 65 3.721 23.878 40.401 1.00 0.00 C ATOM 982 O ASN A 65 4.312 24.877 40.807 1.00 0.00 O ATOM 983 CB ASN A 65 1.648 23.057 41.527 1.00 0.00 C ATOM 984 CG ASN A 65 1.110 22.191 42.658 1.00 0.00 C ATOM 985 OD1 ASN A 65 1.222 20.966 42.623 1.00 0.00 O ATOM 986 ND2 ASN A 65 0.524 22.829 43.665 1.00 0.00 N ATOM 0 H ASN A 65 3.190 23.332 43.427 1.00 0.00 H new ATOM 0 HA ASN A 65 3.345 21.857 41.002 1.00 0.00 H new ATOM 0 HB2 ASN A 65 1.428 24.106 41.726 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.149 22.799 40.593 1.00 0.00 H new ATOM 0 HD21 ASN A 65 0.145 22.301 44.451 1.00 0.00 H new ATOM 0 HD22 ASN A 65 0.453 23.846 43.652 1.00 0.00 H new ATOM 993 N PHE A 66 3.542 23.622 39.109 1.00 0.00 N ATOM 994 CA PHE A 66 4.044 24.526 38.078 1.00 0.00 C ATOM 995 C PHE A 66 2.982 24.783 37.015 1.00 0.00 C ATOM 996 O PHE A 66 1.894 24.208 37.053 1.00 0.00 O ATOM 997 CB PHE A 66 5.293 23.936 37.430 1.00 0.00 C ATOM 998 CG PHE A 66 6.547 24.205 38.223 1.00 0.00 C ATOM 999 CD1 PHE A 66 7.148 25.451 38.166 1.00 0.00 C ATOM 1000 CD2 PHE A 66 7.099 23.207 39.009 1.00 0.00 C ATOM 1001 CE1 PHE A 66 8.299 25.700 38.894 1.00 0.00 C ATOM 1002 CE2 PHE A 66 8.250 23.455 39.738 1.00 0.00 C ATOM 1003 CZ PHE A 66 8.851 24.702 39.680 1.00 0.00 C ATOM 0 H PHE A 66 3.055 22.800 38.751 1.00 0.00 H new ATOM 0 HA PHE A 66 4.296 25.476 38.550 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.164 22.860 37.317 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.407 24.350 36.428 1.00 0.00 H new ATOM 0 HD1 PHE A 66 6.718 26.230 37.553 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.631 22.235 39.053 1.00 0.00 H new ATOM 0 HE1 PHE A 66 8.767 26.673 38.849 1.00 0.00 H new ATOM 0 HE2 PHE A 66 8.679 22.677 40.352 1.00 0.00 H new ATOM 0 HZ PHE A 66 9.749 24.896 40.247 1.00 0.00 H new ATOM 1013 N ARG A 67 3.311 25.655 36.068 1.00 0.00 N ATOM 1014 CA ARG A 67 2.402 26.007 34.981 1.00 0.00 C ATOM 1015 C ARG A 67 3.032 27.086 34.113 1.00 0.00 C ATOM 1016 O ARG A 67 2.624 28.247 34.150 1.00 0.00 O ATOM 1017 CB ARG A 67 1.073 26.503 35.545 1.00 0.00 C ATOM 1018 CG ARG A 67 1.290 27.537 36.645 1.00 0.00 C ATOM 1019 CD ARG A 67 0.664 28.879 36.279 1.00 0.00 C ATOM 1020 NE ARG A 67 -0.786 28.750 36.170 1.00 0.00 N ATOM 1021 CZ ARG A 67 -1.445 29.169 35.095 1.00 0.00 C ATOM 1022 NH1 ARG A 67 -1.548 30.466 34.841 1.00 0.00 N ATOM 1023 NH2 ARG A 67 -2.004 28.290 34.274 1.00 0.00 N ATOM 0 H ARG A 67 4.210 26.136 36.031 1.00 0.00 H new ATOM 0 HA ARG A 67 2.216 25.121 34.374 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.476 26.940 34.745 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.506 25.660 35.941 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.858 27.174 37.578 1.00 0.00 H new ATOM 0 HG3 ARG A 67 2.358 27.667 36.818 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.914 29.623 37.036 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.076 29.235 35.335 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.307 28.327 36.939 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.121 31.145 35.471 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.054 30.785 34.015 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.928 27.291 34.468 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.510 28.613 33.449 1.00 0.00 H new ATOM 1037 N PHE A 68 4.039 26.698 33.339 1.00 0.00 N ATOM 1038 CA PHE A 68 4.741 27.633 32.467 1.00 0.00 C ATOM 1039 C PHE A 68 3.831 28.122 31.353 1.00 0.00 C ATOM 1040 O PHE A 68 2.700 27.659 31.205 1.00 0.00 O ATOM 1041 CB PHE A 68 5.975 26.968 31.862 1.00 0.00 C ATOM 1042 CG PHE A 68 5.711 25.560 31.388 1.00 0.00 C ATOM 1043 CD1 PHE A 68 4.827 25.335 30.345 1.00 0.00 C ATOM 1044 CD2 PHE A 68 6.349 24.492 31.997 1.00 0.00 C ATOM 1045 CE1 PHE A 68 4.583 24.042 29.911 1.00 0.00 C ATOM 1046 CE2 PHE A 68 6.104 23.199 31.562 1.00 0.00 C ATOM 1047 CZ PHE A 68 5.221 22.975 30.519 1.00 0.00 C ATOM 0 H PHE A 68 4.388 25.741 33.297 1.00 0.00 H new ATOM 0 HA PHE A 68 5.049 28.488 33.069 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.330 27.567 31.024 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.773 26.952 32.604 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.328 26.167 29.870 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.037 24.667 32.811 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.894 23.867 29.098 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.602 22.366 32.036 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.030 21.967 30.180 1.00 0.00 H new ATOM 1057 N LEU A 69 4.344 29.057 30.566 1.00 0.00 N ATOM 1058 CA LEU A 69 3.601 29.620 29.447 1.00 0.00 C ATOM 1059 C LEU A 69 4.420 29.473 28.175 1.00 0.00 C ATOM 1060 O LEU A 69 4.908 30.458 27.624 1.00 0.00 O ATOM 1061 CB LEU A 69 3.292 31.096 29.704 1.00 0.00 C ATOM 1062 CG LEU A 69 2.945 31.351 31.171 1.00 0.00 C ATOM 1063 CD1 LEU A 69 2.722 32.840 31.419 1.00 0.00 C ATOM 1064 CD2 LEU A 69 1.711 30.550 31.576 1.00 0.00 C ATOM 0 H LEU A 69 5.280 29.445 30.683 1.00 0.00 H new ATOM 0 HA LEU A 69 2.658 29.084 29.336 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.152 31.703 29.422 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.460 31.410 29.073 1.00 0.00 H new ATOM 0 HG LEU A 69 3.785 31.023 31.784 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.476 33.001 32.469 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.629 33.390 31.170 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.901 33.194 30.796 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.479 30.744 32.623 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.865 30.847 30.956 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.906 29.486 31.439 1.00 0.00 H new ATOM 1076 N THR A 70 4.579 28.226 27.725 1.00 0.00 N ATOM 1077 CA THR A 70 5.357 27.909 26.522 1.00 0.00 C ATOM 1078 C THR A 70 5.176 28.967 25.437 1.00 0.00 C ATOM 1079 O THR A 70 4.079 29.486 25.235 1.00 0.00 O ATOM 1080 CB THR A 70 4.942 26.543 25.985 1.00 0.00 C ATOM 1081 OG1 THR A 70 3.561 26.325 26.228 1.00 0.00 O ATOM 1082 CG2 THR A 70 5.769 25.434 26.630 1.00 0.00 C ATOM 0 H THR A 70 4.174 27.409 28.182 1.00 0.00 H new ATOM 0 HA THR A 70 6.411 27.893 26.800 1.00 0.00 H new ATOM 0 HB THR A 70 5.123 26.526 24.910 1.00 0.00 H new ATOM 0 HG1 THR A 70 3.451 25.822 27.062 1.00 0.00 H new ATOM 0 HG21 THR A 70 5.456 24.469 26.232 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.825 25.592 26.410 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.618 25.448 27.709 1.00 0.00 H new ATOM 1090 N GLU A 71 6.267 29.280 24.746 1.00 0.00 N ATOM 1091 CA GLU A 71 6.243 30.277 23.682 1.00 0.00 C ATOM 1092 C GLU A 71 5.187 29.920 22.645 1.00 0.00 C ATOM 1093 O GLU A 71 4.269 30.699 22.385 1.00 0.00 O ATOM 1094 CB GLU A 71 7.614 30.368 23.016 1.00 0.00 C ATOM 1095 CG GLU A 71 8.736 30.461 24.048 1.00 0.00 C ATOM 1096 CD GLU A 71 9.406 31.827 23.973 1.00 0.00 C ATOM 1097 OE1 GLU A 71 8.684 32.846 24.006 1.00 0.00 O ATOM 1098 OE2 GLU A 71 10.650 31.876 23.882 1.00 0.00 O ATOM 0 H GLU A 71 7.181 28.856 24.904 1.00 0.00 H new ATOM 0 HA GLU A 71 5.994 31.244 24.119 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.771 29.493 22.385 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.645 31.241 22.364 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.335 30.299 25.048 1.00 0.00 H new ATOM 0 HG3 GLU A 71 9.471 29.677 23.869 1.00 0.00 H new ATOM 1105 N LYS A 72 5.320 28.737 22.054 1.00 0.00 N ATOM 1106 CA LYS A 72 4.376 28.273 21.043 1.00 0.00 C ATOM 1107 C LYS A 72 3.818 26.909 21.427 1.00 0.00 C ATOM 1108 O LYS A 72 3.913 25.951 20.660 1.00 0.00 O ATOM 1109 CB LYS A 72 5.067 28.188 19.685 1.00 0.00 C ATOM 1110 CG LYS A 72 4.138 28.641 18.562 1.00 0.00 C ATOM 1111 CD LYS A 72 2.929 27.718 18.438 1.00 0.00 C ATOM 1112 CE LYS A 72 3.319 26.374 17.827 1.00 0.00 C ATOM 1113 NZ LYS A 72 2.460 25.273 18.349 1.00 0.00 N ATOM 0 H LYS A 72 6.074 28.081 22.258 1.00 0.00 H new ATOM 0 HA LYS A 72 3.552 28.984 20.981 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.963 28.808 19.691 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.390 27.163 19.502 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.802 29.660 18.753 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.684 28.657 17.619 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.488 27.559 19.422 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.167 28.194 17.820 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.229 26.425 16.742 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.364 26.160 18.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.643 24.404 17.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.678 25.109 19.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.459 25.537 18.251 1.00 0.00 H new ATOM 1127 N GLY A 73 3.236 26.829 22.619 1.00 0.00 N ATOM 1128 CA GLY A 73 2.661 25.580 23.108 1.00 0.00 C ATOM 1129 C GLY A 73 1.318 25.832 23.782 1.00 0.00 C ATOM 1130 O GLY A 73 0.319 26.101 23.115 1.00 0.00 O ATOM 0 H GLY A 73 3.150 27.614 23.265 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.532 24.884 22.279 1.00 0.00 H new ATOM 0 HA3 GLY A 73 3.346 25.111 23.815 1.00 0.00 H new ATOM 1134 N MET A 74 1.300 25.742 25.108 1.00 0.00 N ATOM 1135 CA MET A 74 0.077 25.959 25.874 1.00 0.00 C ATOM 1136 C MET A 74 0.354 25.830 27.367 1.00 0.00 C ATOM 1137 O MET A 74 1.384 25.291 27.773 1.00 0.00 O ATOM 1138 CB MET A 74 -0.989 24.952 25.452 1.00 0.00 C ATOM 1139 CG MET A 74 -0.428 23.533 25.409 1.00 0.00 C ATOM 1140 SD MET A 74 -1.381 22.453 24.329 1.00 0.00 S ATOM 1141 CE MET A 74 -0.071 21.455 23.604 1.00 0.00 C ATOM 0 H MET A 74 2.118 25.520 25.675 1.00 0.00 H new ATOM 0 HA MET A 74 -0.286 26.967 25.673 1.00 0.00 H new ATOM 0 HB2 MET A 74 -1.826 24.993 26.148 1.00 0.00 H new ATOM 0 HB3 MET A 74 -1.378 25.221 24.470 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.606 23.564 25.067 1.00 0.00 H new ATOM 0 HG3 MET A 74 -0.418 23.118 26.417 1.00 0.00 H new ATOM 0 HE1 MET A 74 -0.504 20.735 22.909 1.00 0.00 H new ATOM 0 HE2 MET A 74 0.625 22.101 23.070 1.00 0.00 H new ATOM 0 HE3 MET A 74 0.460 20.923 24.393 1.00 0.00 H new ATOM 1151 N LYS A 75 -0.570 26.331 28.180 1.00 0.00 N ATOM 1152 CA LYS A 75 -0.427 26.276 29.634 1.00 0.00 C ATOM 1153 C LYS A 75 -0.856 24.910 30.155 1.00 0.00 C ATOM 1154 O LYS A 75 -1.896 24.383 29.761 1.00 0.00 O ATOM 1155 CB LYS A 75 -1.268 27.370 30.298 1.00 0.00 C ATOM 1156 CG LYS A 75 -1.334 28.643 29.450 1.00 0.00 C ATOM 1157 CD LYS A 75 0.056 29.106 29.018 1.00 0.00 C ATOM 1158 CE LYS A 75 0.105 29.379 27.517 1.00 0.00 C ATOM 1159 NZ LYS A 75 0.015 30.839 27.229 1.00 0.00 N ATOM 0 H LYS A 75 -1.427 26.780 27.858 1.00 0.00 H new ATOM 0 HA LYS A 75 0.622 26.439 29.881 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.278 26.996 30.469 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.847 27.607 31.275 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.948 28.461 28.568 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.821 29.435 30.019 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.327 30.010 29.564 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.792 28.345 29.276 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.031 28.981 27.103 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.715 28.857 27.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.034 30.992 26.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.873 31.216 27.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.821 31.329 27.667 1.00 0.00 H new ATOM 1173 N ASN A 76 -0.048 24.343 31.045 1.00 0.00 N ATOM 1174 CA ASN A 76 -0.341 23.036 31.625 1.00 0.00 C ATOM 1175 C ASN A 76 0.082 22.998 33.088 1.00 0.00 C ATOM 1176 O ASN A 76 1.210 23.359 33.427 1.00 0.00 O ATOM 1177 CB ASN A 76 0.386 21.944 30.846 1.00 0.00 C ATOM 1178 CG ASN A 76 -0.618 21.044 30.137 1.00 0.00 C ATOM 1179 OD1 ASN A 76 -0.465 19.823 30.115 1.00 0.00 O ATOM 1180 ND2 ASN A 76 -1.648 21.648 29.555 1.00 0.00 N ATOM 0 H ASN A 76 0.816 24.768 31.381 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.415 22.862 31.566 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.059 22.395 30.117 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.001 21.352 31.524 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.352 21.096 29.065 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.735 22.663 29.598 1.00 0.00 H new ATOM 1187 N VAL A 77 -0.828 22.559 33.951 1.00 0.00 N ATOM 1188 CA VAL A 77 -0.551 22.473 35.381 1.00 0.00 C ATOM 1189 C VAL A 77 0.130 21.150 35.710 1.00 0.00 C ATOM 1190 O VAL A 77 -0.188 20.115 35.124 1.00 0.00 O ATOM 1191 CB VAL A 77 -1.850 22.602 36.171 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -1.570 22.616 37.671 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -2.602 23.864 35.758 1.00 0.00 C ATOM 0 H VAL A 77 -1.765 22.257 33.685 1.00 0.00 H new ATOM 0 HA VAL A 77 0.117 23.288 35.658 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.474 21.737 35.947 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.510 22.709 38.216 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.075 21.688 37.957 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.926 23.461 37.913 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.526 23.941 36.331 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.981 24.738 35.953 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.837 23.816 34.695 1.00 0.00 H new ATOM 1203 N PHE A 78 1.070 21.190 36.649 1.00 0.00 N ATOM 1204 CA PHE A 78 1.799 19.993 37.054 1.00 0.00 C ATOM 1205 C PHE A 78 1.843 19.882 38.572 1.00 0.00 C ATOM 1206 O PHE A 78 2.356 20.769 39.255 1.00 0.00 O ATOM 1207 CB PHE A 78 3.218 20.036 36.495 1.00 0.00 C ATOM 1208 CG PHE A 78 3.253 20.313 35.014 1.00 0.00 C ATOM 1209 CD1 PHE A 78 2.957 19.304 34.113 1.00 0.00 C ATOM 1210 CD2 PHE A 78 3.579 21.578 34.554 1.00 0.00 C ATOM 1211 CE1 PHE A 78 2.988 19.559 32.752 1.00 0.00 C ATOM 1212 CE2 PHE A 78 3.610 21.833 33.193 1.00 0.00 C ATOM 1213 CZ PHE A 78 3.315 20.823 32.292 1.00 0.00 C ATOM 0 H PHE A 78 1.345 22.038 37.144 1.00 0.00 H new ATOM 0 HA PHE A 78 1.282 19.120 36.657 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.787 20.805 37.018 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.711 19.085 36.694 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.702 18.318 34.472 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.809 22.365 35.256 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.757 18.772 32.050 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.864 22.819 32.834 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.340 21.022 31.231 1.00 0.00 H new ATOM 1223 N ASP A 79 1.304 18.786 39.096 1.00 0.00 N ATOM 1224 CA ASP A 79 1.283 18.553 40.536 1.00 0.00 C ATOM 1225 C ASP A 79 2.316 17.499 40.915 1.00 0.00 C ATOM 1226 O ASP A 79 2.810 16.766 40.059 1.00 0.00 O ATOM 1227 CB ASP A 79 -0.107 18.096 40.971 1.00 0.00 C ATOM 1228 CG ASP A 79 -0.967 19.299 41.337 1.00 0.00 C ATOM 1229 OD1 ASP A 79 -0.788 20.369 40.719 1.00 0.00 O ATOM 1230 OD2 ASP A 79 -1.818 19.169 42.242 1.00 0.00 O ATOM 0 H ASP A 79 0.875 18.044 38.544 1.00 0.00 H new ATOM 0 HA ASP A 79 1.528 19.486 41.044 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -0.581 17.533 40.167 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -0.026 17.424 41.826 1.00 0.00 H new ATOM 1235 N ASP A 80 2.640 17.429 42.202 1.00 0.00 N ATOM 1236 CA ASP A 80 3.616 16.463 42.695 1.00 0.00 C ATOM 1237 C ASP A 80 4.920 16.587 41.918 1.00 0.00 C ATOM 1238 O ASP A 80 5.392 15.621 41.318 1.00 0.00 O ATOM 1239 CB ASP A 80 3.063 15.048 42.559 1.00 0.00 C ATOM 1240 CG ASP A 80 3.413 14.227 43.793 1.00 0.00 C ATOM 1241 OD1 ASP A 80 2.944 14.579 44.896 1.00 0.00 O ATOM 1242 OD2 ASP A 80 4.156 13.232 43.656 1.00 0.00 O ATOM 0 H ASP A 80 2.241 18.030 42.923 1.00 0.00 H new ATOM 0 HA ASP A 80 3.813 16.670 43.747 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.981 15.083 42.431 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.474 14.573 41.668 1.00 0.00 H new ATOM 1247 N VAL A 81 5.499 17.782 41.933 1.00 0.00 N ATOM 1248 CA VAL A 81 6.752 18.039 41.229 1.00 0.00 C ATOM 1249 C VAL A 81 7.910 18.229 42.211 1.00 0.00 C ATOM 1250 O VAL A 81 9.014 18.594 41.808 1.00 0.00 O ATOM 1251 CB VAL A 81 6.599 19.282 40.357 1.00 0.00 C ATOM 1252 CG1 VAL A 81 7.883 19.562 39.582 1.00 0.00 C ATOM 1253 CG2 VAL A 81 5.423 19.119 39.398 1.00 0.00 C ATOM 0 H VAL A 81 5.120 18.591 42.426 1.00 0.00 H new ATOM 0 HA VAL A 81 6.980 17.176 40.604 1.00 0.00 H new ATOM 0 HB VAL A 81 6.401 20.133 41.009 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.750 20.452 38.967 1.00 0.00 H new ATOM 0 HG12 VAL A 81 8.703 19.723 40.282 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.115 18.711 38.942 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.328 20.014 38.784 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.594 18.255 38.756 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.506 18.971 39.969 1.00 0.00 H new ATOM 1263 N VAL A 82 7.659 17.980 43.499 1.00 0.00 N ATOM 1264 CA VAL A 82 8.688 18.129 44.526 1.00 0.00 C ATOM 1265 C VAL A 82 8.324 17.300 45.760 1.00 0.00 C ATOM 1266 O VAL A 82 7.453 17.688 46.539 1.00 0.00 O ATOM 1267 CB VAL A 82 8.830 19.607 44.906 1.00 0.00 C ATOM 1268 CG1 VAL A 82 9.748 19.783 46.116 1.00 0.00 C ATOM 1269 CG2 VAL A 82 9.357 20.414 43.724 1.00 0.00 C ATOM 0 H VAL A 82 6.752 17.675 43.853 1.00 0.00 H new ATOM 0 HA VAL A 82 9.639 17.770 44.132 1.00 0.00 H new ATOM 0 HB VAL A 82 7.841 19.978 45.174 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.828 20.842 46.361 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.334 19.244 46.968 1.00 0.00 H new ATOM 0 HG13 VAL A 82 10.737 19.388 45.883 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.452 21.461 44.012 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.333 20.030 43.427 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.664 20.329 42.887 1.00 0.00 H new ATOM 1279 N PRO A 83 8.991 16.149 45.959 1.00 0.00 N ATOM 1280 CA PRO A 83 8.731 15.274 47.113 1.00 0.00 C ATOM 1281 C PRO A 83 9.317 15.841 48.401 1.00 0.00 C ATOM 1282 O PRO A 83 9.952 16.896 48.393 1.00 0.00 O ATOM 1283 CB PRO A 83 9.412 13.964 46.743 1.00 0.00 C ATOM 1284 CG PRO A 83 10.486 14.335 45.773 1.00 0.00 C ATOM 1285 CD PRO A 83 10.048 15.608 45.087 1.00 0.00 C ATOM 0 HA PRO A 83 7.664 15.162 47.306 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.830 13.476 47.624 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.704 13.265 46.297 1.00 0.00 H new ATOM 0 HG2 PRO A 83 11.435 14.482 46.288 1.00 0.00 H new ATOM 0 HG3 PRO A 83 10.639 13.538 45.045 1.00 0.00 H new ATOM 0 HD2 PRO A 83 10.876 16.309 44.984 1.00 0.00 H new ATOM 0 HD3 PRO A 83 9.672 15.409 44.083 1.00 0.00 H new ATOM 1293 N GLU A 84 9.105 15.134 49.507 1.00 0.00 N ATOM 1294 CA GLU A 84 9.616 15.568 50.804 1.00 0.00 C ATOM 1295 C GLU A 84 11.138 15.531 50.809 1.00 0.00 C ATOM 1296 O GLU A 84 11.744 14.485 50.574 1.00 0.00 O ATOM 1297 CB GLU A 84 9.071 14.666 51.908 1.00 0.00 C ATOM 1298 CG GLU A 84 7.554 14.779 52.017 1.00 0.00 C ATOM 1299 CD GLU A 84 6.936 13.401 52.213 1.00 0.00 C ATOM 1300 OE1 GLU A 84 7.406 12.441 51.567 1.00 0.00 O ATOM 1301 OE2 GLU A 84 5.983 13.284 53.011 1.00 0.00 O ATOM 0 H GLU A 84 8.583 14.258 49.532 1.00 0.00 H new ATOM 0 HA GLU A 84 9.288 16.591 50.985 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.347 13.631 51.705 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.527 14.937 52.860 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.290 15.426 52.853 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.151 15.241 51.116 1.00 0.00 H new ATOM 1308 N LYS A 85 11.754 16.679 51.074 1.00 0.00 N ATOM 1309 CA LYS A 85 13.209 16.777 51.105 1.00 0.00 C ATOM 1310 C LYS A 85 13.796 16.276 49.791 1.00 0.00 C ATOM 1311 O LYS A 85 14.486 15.258 49.755 1.00 0.00 O ATOM 1312 CB LYS A 85 13.762 15.959 52.268 1.00 0.00 C ATOM 1313 CG LYS A 85 15.118 16.491 52.725 1.00 0.00 C ATOM 1314 CD LYS A 85 15.512 15.915 54.082 1.00 0.00 C ATOM 1315 CE LYS A 85 15.820 17.024 55.084 1.00 0.00 C ATOM 1316 NZ LYS A 85 16.721 16.541 56.169 1.00 0.00 N ATOM 0 H LYS A 85 11.268 17.554 51.270 1.00 0.00 H new ATOM 0 HA LYS A 85 13.489 17.822 51.241 1.00 0.00 H new ATOM 0 HB2 LYS A 85 13.059 15.986 53.101 1.00 0.00 H new ATOM 0 HB3 LYS A 85 13.861 14.916 51.967 1.00 0.00 H new ATOM 0 HG2 LYS A 85 15.878 16.238 51.986 1.00 0.00 H new ATOM 0 HG3 LYS A 85 15.082 17.579 52.786 1.00 0.00 H new ATOM 0 HD2 LYS A 85 14.704 15.291 54.463 1.00 0.00 H new ATOM 0 HD3 LYS A 85 16.385 15.272 53.968 1.00 0.00 H new ATOM 0 HE2 LYS A 85 16.286 17.863 54.568 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.891 17.393 55.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 16.911 17.318 56.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 16.264 15.756 56.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 17.617 16.212 55.756 1.00 0.00 H new ATOM 1330 N TYR A 86 13.511 16.998 48.712 1.00 0.00 N ATOM 1331 CA TYR A 86 14.003 16.631 47.387 1.00 0.00 C ATOM 1332 C TYR A 86 15.501 16.358 47.424 1.00 0.00 C ATOM 1333 O TYR A 86 16.248 17.026 48.140 1.00 0.00 O ATOM 1334 CB TYR A 86 13.707 17.752 46.395 1.00 0.00 C ATOM 1335 CG TYR A 86 14.278 19.079 46.826 1.00 0.00 C ATOM 1336 CD1 TYR A 86 15.617 19.363 46.613 1.00 0.00 C ATOM 1337 CD2 TYR A 86 13.464 20.017 47.437 1.00 0.00 C ATOM 1338 CE1 TYR A 86 16.138 20.583 47.011 1.00 0.00 C ATOM 1339 CE2 TYR A 86 13.987 21.236 47.835 1.00 0.00 C ATOM 1340 CZ TYR A 86 15.321 21.513 47.620 1.00 0.00 C ATOM 1341 OH TYR A 86 15.841 22.724 48.015 1.00 0.00 O ATOM 0 H TYR A 86 12.940 17.843 48.729 1.00 0.00 H new ATOM 0 HA TYR A 86 13.493 15.722 47.070 1.00 0.00 H new ATOM 0 HB2 TYR A 86 14.115 17.485 45.420 1.00 0.00 H new ATOM 0 HB3 TYR A 86 12.628 17.848 46.274 1.00 0.00 H new ATOM 0 HD1 TYR A 86 16.255 18.633 46.137 1.00 0.00 H new ATOM 0 HD2 TYR A 86 12.420 19.798 47.604 1.00 0.00 H new ATOM 0 HE1 TYR A 86 17.182 20.806 46.845 1.00 0.00 H new ATOM 0 HE2 TYR A 86 13.352 21.968 48.312 1.00 0.00 H new ATOM 0 HH TYR A 86 15.135 23.265 48.426 1.00 0.00 H new ATOM 1351 N THR A 87 15.934 15.373 46.644 1.00 0.00 N ATOM 1352 CA THR A 87 17.344 15.008 46.577 1.00 0.00 C ATOM 1353 C THR A 87 17.921 15.393 45.222 1.00 0.00 C ATOM 1354 O THR A 87 17.587 14.792 44.201 1.00 0.00 O ATOM 1355 CB THR A 87 17.507 13.507 46.804 1.00 0.00 C ATOM 1356 OG1 THR A 87 16.731 13.098 47.919 1.00 0.00 O ATOM 1357 CG2 THR A 87 18.974 13.149 47.028 1.00 0.00 C ATOM 0 H THR A 87 15.326 14.812 46.048 1.00 0.00 H new ATOM 0 HA THR A 87 17.883 15.546 47.357 1.00 0.00 H new ATOM 0 HB THR A 87 17.158 12.984 45.914 1.00 0.00 H new ATOM 0 HG1 THR A 87 16.839 12.134 48.057 1.00 0.00 H new ATOM 0 HG21 THR A 87 19.066 12.075 47.188 1.00 0.00 H new ATOM 0 HG22 THR A 87 19.557 13.437 46.153 1.00 0.00 H new ATOM 0 HG23 THR A 87 19.348 13.679 47.904 1.00 0.00 H new ATOM 1365 N ILE A 88 18.787 16.401 45.218 1.00 0.00 N ATOM 1366 CA ILE A 88 19.412 16.873 43.985 1.00 0.00 C ATOM 1367 C ILE A 88 19.985 15.703 43.194 1.00 0.00 C ATOM 1368 O ILE A 88 20.839 14.965 43.686 1.00 0.00 O ATOM 1369 CB ILE A 88 20.515 17.874 44.315 1.00 0.00 C ATOM 1370 CG1 ILE A 88 19.939 19.065 45.077 1.00 0.00 C ATOM 1371 CG2 ILE A 88 21.215 18.345 43.043 1.00 0.00 C ATOM 1372 CD1 ILE A 88 20.554 19.184 46.468 1.00 0.00 C ATOM 0 H ILE A 88 19.073 16.908 46.055 1.00 0.00 H new ATOM 0 HA ILE A 88 18.654 17.364 43.374 1.00 0.00 H new ATOM 0 HB ILE A 88 21.251 17.378 44.947 1.00 0.00 H new ATOM 0 HG12 ILE A 88 20.123 19.981 44.516 1.00 0.00 H new ATOM 0 HG13 ILE A 88 18.858 18.956 45.163 1.00 0.00 H new ATOM 0 HG21 ILE A 88 21.998 19.058 43.301 1.00 0.00 H new ATOM 0 HG22 ILE A 88 21.658 17.489 42.533 1.00 0.00 H new ATOM 0 HG23 ILE A 88 20.490 18.824 42.385 1.00 0.00 H new ATOM 0 HD11 ILE A 88 20.123 20.042 46.984 1.00 0.00 H new ATOM 0 HD12 ILE A 88 20.347 18.277 47.036 1.00 0.00 H new ATOM 0 HD13 ILE A 88 21.632 19.319 46.379 1.00 0.00 H new ATOM 1384 N GLY A 89 19.509 15.541 41.964 1.00 0.00 N ATOM 1385 CA GLY A 89 19.970 14.462 41.097 1.00 0.00 C ATOM 1386 C GLY A 89 18.837 13.489 40.789 1.00 0.00 C ATOM 1387 O GLY A 89 19.068 12.296 40.592 1.00 0.00 O ATOM 0 H GLY A 89 18.802 16.145 41.544 1.00 0.00 H new ATOM 0 HA2 GLY A 89 20.360 14.878 40.168 1.00 0.00 H new ATOM 0 HA3 GLY A 89 20.791 13.930 41.577 1.00 0.00 H new ATOM 1391 N ALA A 90 17.612 14.005 40.746 1.00 0.00 N ATOM 1392 CA ALA A 90 16.443 13.182 40.458 1.00 0.00 C ATOM 1393 C ALA A 90 15.439 13.966 39.623 1.00 0.00 C ATOM 1394 O ALA A 90 15.640 15.148 39.343 1.00 0.00 O ATOM 1395 CB ALA A 90 15.793 12.726 41.761 1.00 0.00 C ATOM 0 H ALA A 90 17.404 14.990 40.907 1.00 0.00 H new ATOM 0 HA ALA A 90 16.761 12.306 39.893 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.921 12.112 41.537 1.00 0.00 H new ATOM 0 HB2 ALA A 90 16.509 12.142 42.340 1.00 0.00 H new ATOM 0 HB3 ALA A 90 15.485 13.598 42.338 1.00 0.00 H new ATOM 1401 N THR A 91 14.358 13.303 39.225 1.00 0.00 N ATOM 1402 CA THR A 91 13.322 13.940 38.418 1.00 0.00 C ATOM 1403 C THR A 91 11.962 13.799 39.087 1.00 0.00 C ATOM 1404 O THR A 91 11.516 12.690 39.384 1.00 0.00 O ATOM 1405 CB THR A 91 13.284 13.312 37.028 1.00 0.00 C ATOM 1406 OG1 THR A 91 14.594 13.246 36.488 1.00 0.00 O ATOM 1407 CG2 THR A 91 12.375 14.109 36.096 1.00 0.00 C ATOM 0 H THR A 91 14.176 12.324 39.448 1.00 0.00 H new ATOM 0 HA THR A 91 13.557 15.000 38.326 1.00 0.00 H new ATOM 0 HB THR A 91 12.882 12.303 37.119 1.00 0.00 H new ATOM 0 HG1 THR A 91 14.560 12.840 35.597 1.00 0.00 H new ATOM 0 HG21 THR A 91 12.364 13.642 35.111 1.00 0.00 H new ATOM 0 HG22 THR A 91 11.363 14.125 36.501 1.00 0.00 H new ATOM 0 HG23 THR A 91 12.748 15.130 36.009 1.00 0.00 H new ATOM 1415 N TYR A 92 11.304 14.930 39.321 1.00 0.00 N ATOM 1416 CA TYR A 92 9.989 14.937 39.954 1.00 0.00 C ATOM 1417 C TYR A 92 8.982 15.663 39.071 1.00 0.00 C ATOM 1418 O TYR A 92 9.230 16.781 38.620 1.00 0.00 O ATOM 1419 CB TYR A 92 10.068 15.615 41.320 1.00 0.00 C ATOM 1420 CG TYR A 92 11.325 15.265 42.076 1.00 0.00 C ATOM 1421 CD1 TYR A 92 11.654 13.938 42.295 1.00 0.00 C ATOM 1422 CD2 TYR A 92 12.154 16.268 42.550 1.00 0.00 C ATOM 1423 CE1 TYR A 92 12.809 13.615 42.987 1.00 0.00 C ATOM 1424 CE2 TYR A 92 13.309 15.943 43.243 1.00 0.00 C ATOM 1425 CZ TYR A 92 13.631 14.618 43.457 1.00 0.00 C ATOM 1426 OH TYR A 92 14.779 14.295 44.144 1.00 0.00 O ATOM 0 H TYR A 92 11.660 15.855 39.081 1.00 0.00 H new ATOM 0 HA TYR A 92 9.661 13.906 40.088 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.019 16.696 41.187 1.00 0.00 H new ATOM 0 HB3 TYR A 92 9.201 15.327 41.914 1.00 0.00 H new ATOM 0 HD1 TYR A 92 11.009 13.154 41.926 1.00 0.00 H new ATOM 0 HD2 TYR A 92 11.900 17.304 42.379 1.00 0.00 H new ATOM 0 HE1 TYR A 92 13.066 12.580 43.158 1.00 0.00 H new ATOM 0 HE2 TYR A 92 13.955 16.724 43.615 1.00 0.00 H new ATOM 0 HH TYR A 92 15.499 14.907 43.884 1.00 0.00 H new ATOM 1436 N ALA A 93 7.845 15.019 38.827 1.00 0.00 N ATOM 1437 CA ALA A 93 6.795 15.601 37.996 1.00 0.00 C ATOM 1438 C ALA A 93 5.634 14.624 37.850 1.00 0.00 C ATOM 1439 O ALA A 93 5.675 13.516 38.383 1.00 0.00 O ATOM 1440 CB ALA A 93 7.353 15.956 36.621 1.00 0.00 C ATOM 0 H ALA A 93 7.626 14.092 39.193 1.00 0.00 H new ATOM 0 HA ALA A 93 6.431 16.509 38.477 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.562 16.389 36.008 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.163 16.677 36.732 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.733 15.055 36.139 1.00 0.00 H new ATOM 1446 N PRO A 94 4.577 15.025 37.121 1.00 0.00 N ATOM 1447 CA PRO A 94 3.398 14.177 36.908 1.00 0.00 C ATOM 1448 C PRO A 94 3.639 13.126 35.831 1.00 0.00 C ATOM 1449 O PRO A 94 3.025 13.232 34.748 1.00 0.00 O ATOM 1450 CB PRO A 94 2.317 15.156 36.474 1.00 0.00 C ATOM 1451 CG PRO A 94 3.042 16.324 35.882 1.00 0.00 C ATOM 1452 CD PRO A 94 4.443 16.329 36.451 1.00 0.00 C ATOM 0 HA PRO A 94 3.133 13.615 37.803 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.647 14.701 35.745 1.00 0.00 H new ATOM 0 HB3 PRO A 94 1.705 15.464 37.321 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.070 16.246 34.795 1.00 0.00 H new ATOM 0 HG3 PRO A 94 2.528 17.255 36.121 1.00 0.00 H new ATOM 0 HD2 PRO A 94 5.189 16.450 35.666 1.00 0.00 H new ATOM 0 HD3 PRO A 94 4.583 17.151 37.153 1.00 0.00 H new