USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 519 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 45 ASN : amide:sc= -0.0442 K(o=0.054,f=-2.9!) USER MOD Set 1.2: A 46 GLN :FLIP amide:sc= 0.0984 F(o=-3.3,f=0.054) USER MOD Set 2.1: A 40 THR OG1 : rot 71:sc= 1.2 USER MOD Set 2.2: A 75 GLN : amide:sc= -5.73! C(o=-4.5!,f=-6.6!) USER MOD Set 3.1: A 1 SER N :NH3+ -110:sc= -1.04! (180deg=-2.95) USER MOD Set 3.2: A 37 THR OG1 : rot 180:sc= -0.165 USER MOD Set 4.1: A 18 TYR OH : rot 27:sc= 1.04 USER MOD Set 4.2: A 28 GLN : amide:sc= -1.22! C(o=-0.19!,f=-3.3!) USER MOD Set 5.1: A 7 SER OG : rot -62:sc= 0.931 USER MOD Set 5.2: A 13 ASN : amide:sc= -10.1! C(o=-9.2!,f=-24!) USER MOD Single : A 1 SER OG : rot -101:sc= 0.304 USER MOD Single : A 4 THR OG1 : rot 140:sc= -0.613 USER MOD Single : A 12 ASN :FLIP amide:sc= -0.282 F(o=-1.2,f=-0.28) USER MOD Single : A 19 SER OG : rot 180:sc= 0.00514 USER MOD Single : A 20 LYS NZ :NH3+ -119:sc= -2.65! (180deg=-4.37!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -116:sc= -0.705 (180deg=-2.75!) USER MOD Single : A 32 TYR OH : rot -8:sc= 0.245 USER MOD Single : A 35 SER OG : rot 180:sc= -0.199 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.332 X(o=-0.33,f=-0.33) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 HIS : no HD1:sc= -0.687 X(o=-0.69,f=-0.48) USER MOD Single : A 55 THR OG1 : rot 124:sc= 1.45 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= -0.847 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 70 LYS NZ :NH3+ -145:sc= -2.32! (180deg=-4.79!) USER MOD Single : A 71 SER OG : rot -112:sc= -0.53 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -9.779 -5.466 0.439 1.00 0.00 N ATOM 2 CA SER A 1 -9.024 -4.198 0.622 1.00 0.00 C ATOM 3 C SER A 1 -7.597 -4.558 1.057 1.00 0.00 C ATOM 4 O SER A 1 -7.132 -4.166 2.109 1.00 0.00 O ATOM 5 CB SER A 1 -9.745 -3.353 1.687 1.00 0.00 C ATOM 6 OG SER A 1 -11.033 -3.154 1.119 1.00 0.00 O ATOM 0 H1 SER A 1 -9.966 -5.616 -0.573 1.00 0.00 H new ATOM 0 H2 SER A 1 -9.219 -6.260 0.809 1.00 0.00 H new ATOM 0 H3 SER A 1 -10.681 -5.410 0.953 1.00 0.00 H new ATOM 0 HA SER A 1 -8.974 -3.617 -0.299 1.00 0.00 H new ATOM 0 HB2 SER A 1 -9.802 -3.872 2.644 1.00 0.00 H new ATOM 0 HB3 SER A 1 -9.233 -2.408 1.867 1.00 0.00 H new ATOM 0 HG SER A 1 -11.083 -2.257 0.727 1.00 0.00 H new ATOM 11 N ALA A 2 -6.947 -5.311 0.204 1.00 0.00 N ATOM 12 CA ALA A 2 -5.543 -5.757 0.472 1.00 0.00 C ATOM 13 C ALA A 2 -4.549 -4.932 -0.349 1.00 0.00 C ATOM 14 O ALA A 2 -4.712 -4.799 -1.548 1.00 0.00 O ATOM 15 CB ALA A 2 -5.414 -7.240 0.101 1.00 0.00 C ATOM 0 H ALA A 2 -7.335 -5.641 -0.680 1.00 0.00 H new ATOM 0 HA ALA A 2 -5.318 -5.614 1.529 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.395 -7.576 0.292 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.108 -7.827 0.702 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.647 -7.372 -0.955 1.00 0.00 H new ATOM 21 N PHE A 3 -3.555 -4.406 0.324 1.00 0.00 N ATOM 22 CA PHE A 3 -2.518 -3.578 -0.363 1.00 0.00 C ATOM 23 C PHE A 3 -1.280 -4.435 -0.660 1.00 0.00 C ATOM 24 O PHE A 3 -0.402 -4.587 0.169 1.00 0.00 O ATOM 25 CB PHE A 3 -2.153 -2.388 0.552 1.00 0.00 C ATOM 26 CG PHE A 3 -1.101 -1.489 -0.131 1.00 0.00 C ATOM 27 CD1 PHE A 3 -1.377 -0.897 -1.350 1.00 0.00 C ATOM 28 CD2 PHE A 3 0.128 -1.255 0.462 1.00 0.00 C ATOM 29 CE1 PHE A 3 -0.447 -0.091 -1.966 1.00 0.00 C ATOM 30 CE2 PHE A 3 1.057 -0.447 -0.155 1.00 0.00 C ATOM 31 CZ PHE A 3 0.771 0.137 -1.370 1.00 0.00 C ATOM 0 H PHE A 3 -3.418 -4.517 1.329 1.00 0.00 H new ATOM 0 HA PHE A 3 -2.903 -3.200 -1.310 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -3.047 -1.806 0.777 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -1.765 -2.756 1.502 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -2.332 -1.069 -1.823 1.00 0.00 H new ATOM 0 HD2 PHE A 3 0.360 -1.709 1.414 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -0.674 0.363 -2.919 1.00 0.00 H new ATOM 0 HE2 PHE A 3 2.013 -0.270 0.315 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.500 0.771 -1.852 1.00 0.00 H new ATOM 41 N THR A 4 -1.259 -4.973 -1.852 1.00 0.00 N ATOM 42 CA THR A 4 -0.119 -5.834 -2.288 1.00 0.00 C ATOM 43 C THR A 4 1.067 -4.930 -2.646 1.00 0.00 C ATOM 44 O THR A 4 0.885 -3.777 -2.986 1.00 0.00 O ATOM 45 CB THR A 4 -0.563 -6.653 -3.506 1.00 0.00 C ATOM 46 OG1 THR A 4 -1.761 -7.290 -3.089 1.00 0.00 O ATOM 47 CG2 THR A 4 0.401 -7.821 -3.788 1.00 0.00 C ATOM 0 H THR A 4 -1.992 -4.851 -2.550 1.00 0.00 H new ATOM 0 HA THR A 4 0.183 -6.516 -1.493 1.00 0.00 H new ATOM 0 HB THR A 4 -0.632 -6.004 -4.379 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.410 -7.280 -3.824 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.053 -8.378 -4.658 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.399 -7.430 -3.983 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.433 -8.483 -2.923 1.00 0.00 H new ATOM 55 N VAL A 5 2.244 -5.492 -2.553 1.00 0.00 N ATOM 56 CA VAL A 5 3.509 -4.751 -2.863 1.00 0.00 C ATOM 57 C VAL A 5 4.591 -5.764 -3.282 1.00 0.00 C ATOM 58 O VAL A 5 4.485 -6.941 -2.996 1.00 0.00 O ATOM 59 CB VAL A 5 4.004 -3.967 -1.602 1.00 0.00 C ATOM 60 CG1 VAL A 5 2.933 -2.975 -1.094 1.00 0.00 C ATOM 61 CG2 VAL A 5 4.343 -4.942 -0.451 1.00 0.00 C ATOM 0 H VAL A 5 2.387 -6.461 -2.267 1.00 0.00 H new ATOM 0 HA VAL A 5 3.319 -4.042 -3.669 1.00 0.00 H new ATOM 0 HB VAL A 5 4.894 -3.415 -1.903 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.311 -2.448 -0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.703 -2.255 -1.879 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.029 -3.521 -0.827 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.685 -4.377 0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.454 -5.513 -0.184 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.130 -5.625 -0.772 1.00 0.00 H new ATOM 71 N TRP A 6 5.597 -5.263 -3.952 1.00 0.00 N ATOM 72 CA TRP A 6 6.730 -6.093 -4.429 1.00 0.00 C ATOM 73 C TRP A 6 7.974 -5.217 -4.180 1.00 0.00 C ATOM 74 O TRP A 6 7.943 -4.036 -4.481 1.00 0.00 O ATOM 75 CB TRP A 6 6.487 -6.388 -5.912 1.00 0.00 C ATOM 76 CG TRP A 6 5.250 -7.284 -6.110 1.00 0.00 C ATOM 77 CD1 TRP A 6 5.245 -8.654 -6.111 1.00 0.00 C ATOM 78 CD2 TRP A 6 3.973 -6.860 -6.334 1.00 0.00 C ATOM 79 NE1 TRP A 6 3.997 -8.979 -6.333 1.00 0.00 N ATOM 80 CE2 TRP A 6 3.158 -7.981 -6.481 1.00 0.00 C ATOM 81 CE3 TRP A 6 3.419 -5.589 -6.432 1.00 0.00 C ATOM 82 CZ2 TRP A 6 1.799 -7.831 -6.727 1.00 0.00 C ATOM 83 CZ3 TRP A 6 2.060 -5.436 -6.677 1.00 0.00 C ATOM 84 CH2 TRP A 6 1.250 -6.559 -6.826 1.00 0.00 C ATOM 0 H TRP A 6 5.676 -4.275 -4.194 1.00 0.00 H new ATOM 0 HA TRP A 6 6.849 -7.055 -3.930 1.00 0.00 H new ATOM 0 HB2 TRP A 6 6.351 -5.452 -6.453 1.00 0.00 H new ATOM 0 HB3 TRP A 6 7.364 -6.877 -6.336 1.00 0.00 H new ATOM 0 HD1 TRP A 6 6.084 -9.318 -5.962 1.00 0.00 H new ATOM 0 HE1 TRP A 6 3.694 -9.951 -6.388 1.00 0.00 H new ATOM 0 HE3 TRP A 6 4.047 -4.718 -6.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 1.171 -8.702 -6.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 1.632 -4.447 -6.752 1.00 0.00 H new ATOM 0 HH2 TRP A 6 0.194 -6.441 -7.019 1.00 0.00 H new ATOM 95 N SER A 7 9.022 -5.812 -3.651 1.00 0.00 N ATOM 96 CA SER A 7 10.293 -5.061 -3.346 1.00 0.00 C ATOM 97 C SER A 7 10.765 -4.080 -4.433 1.00 0.00 C ATOM 98 O SER A 7 11.155 -2.970 -4.131 1.00 0.00 O ATOM 99 CB SER A 7 11.420 -6.089 -3.059 1.00 0.00 C ATOM 100 OG SER A 7 11.601 -6.827 -4.260 1.00 0.00 O ATOM 0 H SER A 7 9.052 -6.803 -3.413 1.00 0.00 H new ATOM 0 HA SER A 7 10.066 -4.437 -2.482 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.342 -5.585 -2.770 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.145 -6.748 -2.235 1.00 0.00 H new ATOM 0 HG SER A 7 10.772 -7.301 -4.480 1.00 0.00 H new ATOM 106 N GLY A 8 10.712 -4.529 -5.658 1.00 0.00 N ATOM 107 CA GLY A 8 11.133 -3.697 -6.826 1.00 0.00 C ATOM 108 C GLY A 8 11.739 -4.593 -7.912 1.00 0.00 C ATOM 109 O GLY A 8 12.290 -5.628 -7.590 1.00 0.00 O ATOM 0 H GLY A 8 10.386 -5.463 -5.906 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.276 -3.155 -7.226 1.00 0.00 H new ATOM 0 HA3 GLY A 8 11.862 -2.951 -6.509 1.00 0.00 H new ATOM 113 N PRO A 9 11.641 -4.192 -9.161 1.00 0.00 N ATOM 114 CA PRO A 9 11.348 -2.797 -9.612 1.00 0.00 C ATOM 115 C PRO A 9 9.850 -2.470 -9.518 1.00 0.00 C ATOM 116 O PRO A 9 9.446 -1.591 -8.779 1.00 0.00 O ATOM 117 CB PRO A 9 11.881 -2.728 -11.044 1.00 0.00 C ATOM 118 CG PRO A 9 12.104 -4.185 -11.510 1.00 0.00 C ATOM 119 CD PRO A 9 11.818 -5.117 -10.316 1.00 0.00 C ATOM 0 HA PRO A 9 11.825 -2.050 -8.977 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.172 -2.218 -11.696 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.812 -2.163 -11.083 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.445 -4.423 -12.345 1.00 0.00 H new ATOM 0 HG3 PRO A 9 13.127 -4.320 -11.862 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.924 -5.718 -10.485 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.641 -5.811 -10.147 1.00 0.00 H new ATOM 127 N GLY A 10 9.082 -3.200 -10.283 1.00 0.00 N ATOM 128 CA GLY A 10 7.608 -3.011 -10.310 1.00 0.00 C ATOM 129 C GLY A 10 6.921 -4.089 -9.477 1.00 0.00 C ATOM 130 O GLY A 10 7.376 -4.437 -8.406 1.00 0.00 O ATOM 0 H GLY A 10 9.425 -3.934 -10.902 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.354 -2.025 -9.922 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.248 -3.052 -11.338 1.00 0.00 H new ATOM 134 N CYS A 11 5.838 -4.575 -10.022 1.00 0.00 N ATOM 135 CA CYS A 11 5.019 -5.631 -9.369 1.00 0.00 C ATOM 136 C CYS A 11 5.479 -7.043 -9.768 1.00 0.00 C ATOM 137 O CYS A 11 4.701 -7.867 -10.209 1.00 0.00 O ATOM 138 CB CYS A 11 3.581 -5.374 -9.782 1.00 0.00 C ATOM 139 SG CYS A 11 3.330 -5.131 -11.559 1.00 0.00 S ATOM 0 H CYS A 11 5.477 -4.270 -10.926 1.00 0.00 H new ATOM 0 HA CYS A 11 5.128 -5.587 -8.285 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.969 -6.214 -9.455 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.219 -4.491 -9.255 1.00 0.00 H new ATOM 144 N ASN A 12 6.752 -7.270 -9.590 1.00 0.00 N ATOM 145 CA ASN A 12 7.372 -8.591 -9.925 1.00 0.00 C ATOM 146 C ASN A 12 8.197 -8.904 -8.676 1.00 0.00 C ATOM 147 O ASN A 12 7.657 -8.814 -7.594 1.00 0.00 O ATOM 148 CB ASN A 12 8.244 -8.400 -11.188 1.00 0.00 C ATOM 149 CG ASN A 12 7.402 -7.737 -12.289 1.00 0.00 C ATOM 150 OD1 ASN A 12 7.177 -6.451 -12.212 1.00 0.00 O flip ATOM 151 ND2 ASN A 12 6.946 -8.374 -13.218 1.00 0.00 N flip ATOM 0 H ASN A 12 7.406 -6.581 -9.218 1.00 0.00 H new ATOM 0 HA ASN A 12 6.677 -9.399 -10.151 1.00 0.00 H new ATOM 0 HB2 ASN A 12 9.111 -7.782 -10.955 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.622 -9.363 -11.533 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.119 -9.377 -13.282 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.390 -7.905 -13.934 1.00 0.00 H new ATOM 158 N ASN A 13 9.450 -9.259 -8.829 1.00 0.00 N ATOM 159 CA ASN A 13 10.338 -9.570 -7.657 1.00 0.00 C ATOM 160 C ASN A 13 9.647 -10.272 -6.454 1.00 0.00 C ATOM 161 O ASN A 13 8.768 -11.093 -6.635 1.00 0.00 O ATOM 162 CB ASN A 13 10.961 -8.206 -7.273 1.00 0.00 C ATOM 163 CG ASN A 13 9.849 -7.274 -6.754 1.00 0.00 C ATOM 164 OD1 ASN A 13 9.453 -7.382 -5.617 1.00 0.00 O ATOM 165 ND2 ASN A 13 9.302 -6.358 -7.512 1.00 0.00 N ATOM 0 H ASN A 13 9.907 -9.349 -9.736 1.00 0.00 H new ATOM 0 HA ASN A 13 11.080 -10.316 -7.941 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.725 -8.343 -6.508 1.00 0.00 H new ATOM 0 HB3 ASN A 13 11.453 -7.760 -8.138 1.00 0.00 H new ATOM 0 HD21 ASN A 13 8.564 -5.761 -7.139 1.00 0.00 H new ATOM 0 HD22 ASN A 13 9.614 -6.241 -8.476 1.00 0.00 H new ATOM 172 N ARG A 14 10.079 -9.920 -5.266 1.00 0.00 N ATOM 173 CA ARG A 14 9.517 -10.494 -4.002 1.00 0.00 C ATOM 174 C ARG A 14 8.059 -10.023 -3.880 1.00 0.00 C ATOM 175 O ARG A 14 7.742 -8.948 -4.345 1.00 0.00 O ATOM 176 CB ARG A 14 10.369 -9.976 -2.829 1.00 0.00 C ATOM 177 CG ARG A 14 9.807 -10.469 -1.477 1.00 0.00 C ATOM 178 CD ARG A 14 10.706 -9.979 -0.322 1.00 0.00 C ATOM 179 NE ARG A 14 12.095 -10.512 -0.508 1.00 0.00 N ATOM 180 CZ ARG A 14 12.414 -11.749 -0.213 1.00 0.00 C ATOM 181 NH1 ARG A 14 11.520 -12.576 0.260 1.00 0.00 N ATOM 182 NH2 ARG A 14 13.649 -12.123 -0.407 1.00 0.00 N ATOM 0 H ARG A 14 10.822 -9.237 -5.117 1.00 0.00 H new ATOM 0 HA ARG A 14 9.538 -11.584 -3.999 1.00 0.00 H new ATOM 0 HB2 ARG A 14 11.398 -10.316 -2.945 1.00 0.00 H new ATOM 0 HB3 ARG A 14 10.389 -8.886 -2.843 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.791 -10.100 -1.340 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.754 -11.558 -1.471 1.00 0.00 H new ATOM 0 HD2 ARG A 14 10.723 -8.889 -0.298 1.00 0.00 H new ATOM 0 HD3 ARG A 14 10.302 -10.313 0.634 1.00 0.00 H new ATOM 0 HE ARG A 14 12.816 -9.891 -0.876 1.00 0.00 H new ATOM 0 HH11 ARG A 14 10.560 -12.262 0.404 1.00 0.00 H new ATOM 0 HH12 ARG A 14 11.782 -13.536 0.485 1.00 0.00 H new ATOM 0 HH21 ARG A 14 14.330 -11.460 -0.777 1.00 0.00 H new ATOM 0 HH22 ARG A 14 13.933 -13.078 -0.189 1.00 0.00 H new ATOM 196 N ALA A 15 7.219 -10.821 -3.268 1.00 0.00 N ATOM 197 CA ALA A 15 5.776 -10.439 -3.105 1.00 0.00 C ATOM 198 C ALA A 15 5.354 -10.438 -1.630 1.00 0.00 C ATOM 199 O ALA A 15 5.865 -11.203 -0.835 1.00 0.00 O ATOM 200 CB ALA A 15 4.916 -11.435 -3.891 1.00 0.00 C ATOM 0 H ALA A 15 7.470 -11.727 -2.871 1.00 0.00 H new ATOM 0 HA ALA A 15 5.636 -9.427 -3.486 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.864 -11.172 -3.783 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.192 -11.402 -4.945 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.080 -12.441 -3.505 1.00 0.00 H new ATOM 206 N GLU A 16 4.425 -9.566 -1.324 1.00 0.00 N ATOM 207 CA GLU A 16 3.898 -9.432 0.072 1.00 0.00 C ATOM 208 C GLU A 16 2.615 -8.585 0.053 1.00 0.00 C ATOM 209 O GLU A 16 2.429 -7.767 -0.826 1.00 0.00 O ATOM 210 CB GLU A 16 4.972 -8.750 0.965 1.00 0.00 C ATOM 211 CG GLU A 16 4.445 -8.591 2.425 1.00 0.00 C ATOM 212 CD GLU A 16 5.488 -7.976 3.386 1.00 0.00 C ATOM 213 OE1 GLU A 16 6.513 -7.497 2.926 1.00 0.00 O ATOM 214 OE2 GLU A 16 5.186 -8.022 4.567 1.00 0.00 O ATOM 0 H GLU A 16 4.000 -8.928 -1.997 1.00 0.00 H new ATOM 0 HA GLU A 16 3.670 -10.418 0.477 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.886 -9.345 0.964 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.227 -7.773 0.555 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.554 -7.963 2.416 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.143 -9.568 2.804 1.00 0.00 H new ATOM 221 N ARG A 17 1.774 -8.816 1.031 1.00 0.00 N ATOM 222 CA ARG A 17 0.484 -8.069 1.154 1.00 0.00 C ATOM 223 C ARG A 17 0.377 -7.364 2.506 1.00 0.00 C ATOM 224 O ARG A 17 0.967 -7.777 3.487 1.00 0.00 O ATOM 225 CB ARG A 17 -0.706 -9.054 0.993 1.00 0.00 C ATOM 226 CG ARG A 17 -1.338 -8.872 -0.400 1.00 0.00 C ATOM 227 CD ARG A 17 -2.555 -9.806 -0.543 1.00 0.00 C ATOM 228 NE ARG A 17 -3.258 -9.474 -1.823 1.00 0.00 N ATOM 229 CZ ARG A 17 -2.860 -9.935 -2.983 1.00 0.00 C ATOM 230 NH1 ARG A 17 -1.817 -10.717 -3.072 1.00 0.00 N ATOM 231 NH2 ARG A 17 -3.538 -9.583 -4.040 1.00 0.00 N ATOM 0 H ARG A 17 1.932 -9.506 1.765 1.00 0.00 H new ATOM 0 HA ARG A 17 0.454 -7.313 0.369 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -0.361 -10.081 1.117 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.450 -8.872 1.768 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.645 -7.835 -0.538 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.604 -9.094 -1.175 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.235 -10.848 -0.545 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.230 -9.682 0.304 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.077 -8.867 -1.790 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.301 -10.976 -2.231 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.519 -11.068 -3.982 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -4.347 -8.969 -3.946 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.259 -9.921 -4.961 1.00 0.00 H new ATOM 245 N TYR A 18 -0.389 -6.305 2.483 1.00 0.00 N ATOM 246 CA TYR A 18 -0.635 -5.471 3.694 1.00 0.00 C ATOM 247 C TYR A 18 -2.141 -5.184 3.756 1.00 0.00 C ATOM 248 O TYR A 18 -2.607 -4.127 3.376 1.00 0.00 O ATOM 249 CB TYR A 18 0.172 -4.151 3.583 1.00 0.00 C ATOM 250 CG TYR A 18 1.679 -4.411 3.779 1.00 0.00 C ATOM 251 CD1 TYR A 18 2.464 -4.930 2.766 1.00 0.00 C ATOM 252 CD2 TYR A 18 2.273 -4.117 4.992 1.00 0.00 C ATOM 253 CE1 TYR A 18 3.813 -5.147 2.969 1.00 0.00 C ATOM 254 CE2 TYR A 18 3.620 -4.335 5.192 1.00 0.00 C ATOM 255 CZ TYR A 18 4.400 -4.851 4.182 1.00 0.00 C ATOM 256 OH TYR A 18 5.750 -5.058 4.384 1.00 0.00 O ATOM 0 H TYR A 18 -0.869 -5.974 1.646 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.317 -5.985 4.601 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.001 -3.696 2.607 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.179 -3.441 4.332 1.00 0.00 H new ATOM 0 HD1 TYR A 18 2.020 -5.167 1.811 1.00 0.00 H new ATOM 0 HD2 TYR A 18 1.674 -3.711 5.794 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.415 -5.553 2.169 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.066 -4.099 6.147 1.00 0.00 H new ATOM 0 HH TYR A 18 6.222 -4.998 3.527 1.00 0.00 H new ATOM 266 N SER A 19 -2.851 -6.170 4.240 1.00 0.00 N ATOM 267 CA SER A 19 -4.339 -6.080 4.383 1.00 0.00 C ATOM 268 C SER A 19 -4.706 -5.836 5.860 1.00 0.00 C ATOM 269 O SER A 19 -5.864 -5.891 6.231 1.00 0.00 O ATOM 270 CB SER A 19 -4.951 -7.402 3.875 1.00 0.00 C ATOM 271 OG SER A 19 -4.372 -8.411 4.692 1.00 0.00 O ATOM 0 H SER A 19 -2.453 -7.056 4.550 1.00 0.00 H new ATOM 0 HA SER A 19 -4.732 -5.248 3.798 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.037 -7.395 3.966 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.720 -7.565 2.822 1.00 0.00 H new ATOM 0 HG SER A 19 -4.720 -9.288 4.425 1.00 0.00 H new ATOM 277 N LYS A 20 -3.694 -5.573 6.652 1.00 0.00 N ATOM 278 CA LYS A 20 -3.873 -5.312 8.115 1.00 0.00 C ATOM 279 C LYS A 20 -4.806 -4.113 8.328 1.00 0.00 C ATOM 280 O LYS A 20 -4.700 -3.121 7.631 1.00 0.00 O ATOM 281 CB LYS A 20 -2.481 -5.030 8.731 1.00 0.00 C ATOM 282 CG LYS A 20 -2.534 -4.888 10.281 1.00 0.00 C ATOM 283 CD LYS A 20 -2.345 -6.234 11.051 1.00 0.00 C ATOM 284 CE LYS A 20 -3.429 -7.297 10.751 1.00 0.00 C ATOM 285 NZ LYS A 20 -3.166 -7.987 9.455 1.00 0.00 N ATOM 0 H LYS A 20 -2.725 -5.527 6.336 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.324 -6.179 8.599 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.799 -5.838 8.466 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.074 -4.116 8.299 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.760 -4.189 10.598 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.492 -4.452 10.563 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.368 -6.648 10.801 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.340 -6.029 12.122 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.456 -8.030 11.557 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.409 -6.821 10.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.961 -7.821 8.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.291 -7.613 9.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.062 -9.008 9.620 1.00 0.00 H new ATOM 299 N CYS A 21 -5.690 -4.244 9.288 1.00 0.00 N ATOM 300 CA CYS A 21 -6.644 -3.131 9.572 1.00 0.00 C ATOM 301 C CYS A 21 -5.924 -1.997 10.302 1.00 0.00 C ATOM 302 O CYS A 21 -4.916 -2.211 10.947 1.00 0.00 O ATOM 303 CB CYS A 21 -7.792 -3.603 10.461 1.00 0.00 C ATOM 304 SG CYS A 21 -9.231 -2.508 10.394 1.00 0.00 S ATOM 0 H CYS A 21 -5.790 -5.067 9.882 1.00 0.00 H new ATOM 0 HA CYS A 21 -7.038 -2.787 8.616 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -8.091 -4.606 10.158 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.442 -3.672 11.491 1.00 0.00 H new ATOM 309 N GLY A 22 -6.477 -0.819 10.170 1.00 0.00 N ATOM 310 CA GLY A 22 -5.882 0.374 10.826 1.00 0.00 C ATOM 311 C GLY A 22 -4.802 0.816 9.862 1.00 0.00 C ATOM 312 O GLY A 22 -5.083 1.571 8.954 1.00 0.00 O ATOM 0 H GLY A 22 -7.323 -0.635 9.630 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.624 1.157 10.981 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.469 0.128 11.804 1.00 0.00 H new ATOM 316 N CYS A 23 -3.608 0.326 10.088 1.00 0.00 N ATOM 317 CA CYS A 23 -2.462 0.685 9.202 1.00 0.00 C ATOM 318 C CYS A 23 -1.207 -0.147 9.506 1.00 0.00 C ATOM 319 O CYS A 23 -1.116 -0.781 10.541 1.00 0.00 O ATOM 320 CB CYS A 23 -2.151 2.177 9.379 1.00 0.00 C ATOM 321 SG CYS A 23 -0.807 2.857 8.383 1.00 0.00 S ATOM 0 H CYS A 23 -3.379 -0.310 10.852 1.00 0.00 H new ATOM 0 HA CYS A 23 -2.748 0.469 8.173 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -3.057 2.741 9.156 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -1.917 2.352 10.429 1.00 0.00 H new ATOM 326 N SER A 24 -0.275 -0.112 8.582 1.00 0.00 N ATOM 327 CA SER A 24 1.009 -0.874 8.731 1.00 0.00 C ATOM 328 C SER A 24 2.110 -0.309 7.811 1.00 0.00 C ATOM 329 O SER A 24 1.840 0.074 6.691 1.00 0.00 O ATOM 330 CB SER A 24 0.744 -2.357 8.390 1.00 0.00 C ATOM 331 OG SER A 24 0.164 -2.331 7.092 1.00 0.00 O ATOM 0 H SER A 24 -0.351 0.421 7.716 1.00 0.00 H new ATOM 0 HA SER A 24 1.360 -0.778 9.758 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.667 -2.937 8.400 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.072 -2.816 9.115 1.00 0.00 H new ATOM 0 HG SER A 24 -0.033 -3.247 6.803 1.00 0.00 H new ATOM 337 N ALA A 25 3.321 -0.280 8.313 1.00 0.00 N ATOM 338 CA ALA A 25 4.479 0.246 7.519 1.00 0.00 C ATOM 339 C ALA A 25 4.998 -0.797 6.513 1.00 0.00 C ATOM 340 O ALA A 25 5.146 -1.956 6.848 1.00 0.00 O ATOM 341 CB ALA A 25 5.604 0.634 8.488 1.00 0.00 C ATOM 0 H ALA A 25 3.560 -0.602 9.251 1.00 0.00 H new ATOM 0 HA ALA A 25 4.145 1.114 6.951 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.454 1.019 7.924 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.245 1.402 9.173 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.913 -0.243 9.057 1.00 0.00 H new ATOM 347 N ILE A 26 5.257 -0.340 5.310 1.00 0.00 N ATOM 348 CA ILE A 26 5.768 -1.233 4.219 1.00 0.00 C ATOM 349 C ILE A 26 7.276 -0.988 4.052 1.00 0.00 C ATOM 350 O ILE A 26 7.772 0.065 4.402 1.00 0.00 O ATOM 351 CB ILE A 26 5.029 -0.913 2.876 1.00 0.00 C ATOM 352 CG1 ILE A 26 3.494 -0.819 3.112 1.00 0.00 C ATOM 353 CG2 ILE A 26 5.328 -1.998 1.829 1.00 0.00 C ATOM 354 CD1 ILE A 26 3.134 0.655 3.233 1.00 0.00 C ATOM 0 H ILE A 26 5.133 0.634 5.033 1.00 0.00 H new ATOM 0 HA ILE A 26 5.585 -2.276 4.479 1.00 0.00 H new ATOM 0 HB ILE A 26 5.390 0.046 2.506 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.951 -1.279 2.286 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.213 -1.357 4.017 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.807 -1.762 0.901 1.00 0.00 H new ATOM 0 HG22 ILE A 26 6.401 -2.038 1.643 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.988 -2.965 2.200 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.061 0.755 3.399 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.674 1.094 4.072 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.408 1.173 2.314 1.00 0.00 H new ATOM 366 N HIS A 27 7.949 -1.976 3.518 1.00 0.00 N ATOM 367 CA HIS A 27 9.429 -1.890 3.291 1.00 0.00 C ATOM 368 C HIS A 27 9.745 -2.079 1.798 1.00 0.00 C ATOM 369 O HIS A 27 10.799 -1.691 1.331 1.00 0.00 O ATOM 370 CB HIS A 27 10.111 -2.983 4.127 1.00 0.00 C ATOM 371 CG HIS A 27 9.701 -2.801 5.592 1.00 0.00 C ATOM 372 ND1 HIS A 27 10.248 -1.977 6.423 1.00 0.00 N ATOM 373 CD2 HIS A 27 8.712 -3.428 6.333 1.00 0.00 C ATOM 374 CE1 HIS A 27 9.665 -2.068 7.575 1.00 0.00 C ATOM 375 NE2 HIS A 27 8.704 -2.959 7.564 1.00 0.00 N ATOM 0 H HIS A 27 7.528 -2.857 3.223 1.00 0.00 H new ATOM 0 HA HIS A 27 9.799 -0.910 3.593 1.00 0.00 H new ATOM 0 HB2 HIS A 27 9.817 -3.971 3.771 1.00 0.00 H new ATOM 0 HB3 HIS A 27 11.194 -2.917 4.026 1.00 0.00 H new ATOM 0 HD2 HIS A 27 8.045 -4.190 5.956 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.937 -1.481 8.440 1.00 0.00 H new ATOM 0 HE2 HIS A 27 8.090 -3.228 8.333 1.00 0.00 H new ATOM 383 N GLN A 28 8.809 -2.675 1.102 1.00 0.00 N ATOM 384 CA GLN A 28 8.960 -2.934 -0.361 1.00 0.00 C ATOM 385 C GLN A 28 8.837 -1.624 -1.144 1.00 0.00 C ATOM 386 O GLN A 28 7.753 -1.153 -1.435 1.00 0.00 O ATOM 387 CB GLN A 28 7.866 -3.929 -0.813 1.00 0.00 C ATOM 388 CG GLN A 28 8.103 -5.320 -0.180 1.00 0.00 C ATOM 389 CD GLN A 28 7.861 -5.288 1.337 1.00 0.00 C ATOM 390 OE1 GLN A 28 6.843 -4.823 1.809 1.00 0.00 O ATOM 391 NE2 GLN A 28 8.768 -5.770 2.141 1.00 0.00 N ATOM 0 H GLN A 28 7.927 -3.000 1.497 1.00 0.00 H new ATOM 0 HA GLN A 28 9.944 -3.361 -0.556 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.884 -3.554 -0.524 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.869 -4.012 -1.900 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.439 -6.051 -0.642 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.124 -5.645 -0.381 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.629 -6.164 1.761 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.617 -5.753 3.150 1.00 0.00 H new ATOM 400 N LYS A 29 9.986 -1.082 -1.454 1.00 0.00 N ATOM 401 CA LYS A 29 10.062 0.200 -2.215 1.00 0.00 C ATOM 402 C LYS A 29 10.101 -0.165 -3.712 1.00 0.00 C ATOM 403 O LYS A 29 11.066 0.102 -4.404 1.00 0.00 O ATOM 404 CB LYS A 29 11.347 0.952 -1.763 1.00 0.00 C ATOM 405 CG LYS A 29 11.259 2.490 -2.012 1.00 0.00 C ATOM 406 CD LYS A 29 11.009 2.857 -3.500 1.00 0.00 C ATOM 407 CE LYS A 29 11.077 4.386 -3.685 1.00 0.00 C ATOM 408 NZ LYS A 29 10.108 5.074 -2.785 1.00 0.00 N ATOM 0 H LYS A 29 10.891 -1.482 -1.207 1.00 0.00 H new ATOM 0 HA LYS A 29 9.209 0.853 -2.033 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.517 0.768 -0.702 1.00 0.00 H new ATOM 0 HB3 LYS A 29 12.207 0.549 -2.298 1.00 0.00 H new ATOM 0 HG2 LYS A 29 10.456 2.905 -1.403 1.00 0.00 H new ATOM 0 HG3 LYS A 29 12.185 2.959 -1.680 1.00 0.00 H new ATOM 0 HD2 LYS A 29 11.753 2.373 -4.132 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.033 2.487 -3.815 1.00 0.00 H new ATOM 0 HE2 LYS A 29 12.087 4.737 -3.475 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.860 4.641 -4.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.392 5.566 -3.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.642 4.372 -2.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.613 5.764 -2.194 1.00 0.00 H new ATOM 422 N GLY A 30 9.039 -0.781 -4.169 1.00 0.00 N ATOM 423 CA GLY A 30 8.954 -1.187 -5.599 1.00 0.00 C ATOM 424 C GLY A 30 7.552 -0.958 -6.148 1.00 0.00 C ATOM 425 O GLY A 30 7.077 0.159 -6.176 1.00 0.00 O ATOM 0 H GLY A 30 8.223 -1.020 -3.606 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.676 -0.619 -6.186 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.220 -2.239 -5.699 1.00 0.00 H new ATOM 429 N GLY A 31 6.945 -2.044 -6.555 1.00 0.00 N ATOM 430 CA GLY A 31 5.562 -2.002 -7.133 1.00 0.00 C ATOM 431 C GLY A 31 4.506 -2.248 -6.062 1.00 0.00 C ATOM 432 O GLY A 31 4.824 -2.736 -4.997 1.00 0.00 O ATOM 0 H GLY A 31 7.356 -2.977 -6.511 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.390 -1.032 -7.600 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.470 -2.754 -7.917 1.00 0.00 H new ATOM 436 N TYR A 32 3.280 -1.896 -6.368 1.00 0.00 N ATOM 437 CA TYR A 32 2.171 -2.097 -5.382 1.00 0.00 C ATOM 438 C TYR A 32 0.764 -2.069 -5.975 1.00 0.00 C ATOM 439 O TYR A 32 0.436 -1.231 -6.789 1.00 0.00 O ATOM 440 CB TYR A 32 2.290 -1.015 -4.282 1.00 0.00 C ATOM 441 CG TYR A 32 2.541 0.341 -4.947 1.00 0.00 C ATOM 442 CD1 TYR A 32 3.836 0.715 -5.224 1.00 0.00 C ATOM 443 CD2 TYR A 32 1.512 1.190 -5.287 1.00 0.00 C ATOM 444 CE1 TYR A 32 4.108 1.910 -5.830 1.00 0.00 C ATOM 445 CE2 TYR A 32 1.784 2.394 -5.899 1.00 0.00 C ATOM 446 CZ TYR A 32 3.087 2.765 -6.177 1.00 0.00 C ATOM 447 OH TYR A 32 3.370 3.966 -6.793 1.00 0.00 O ATOM 0 H TYR A 32 3.000 -1.479 -7.256 1.00 0.00 H new ATOM 0 HA TYR A 32 2.294 -3.105 -4.985 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.377 -0.980 -3.687 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.106 -1.258 -3.601 1.00 0.00 H new ATOM 0 HD1 TYR A 32 4.649 0.055 -4.959 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.490 0.912 -5.074 1.00 0.00 H new ATOM 0 HE1 TYR A 32 5.132 2.185 -6.038 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.972 3.055 -6.164 1.00 0.00 H new ATOM 0 HH TYR A 32 4.339 4.112 -6.796 1.00 0.00 H new ATOM 457 N ASP A 33 -0.034 -3.005 -5.538 1.00 0.00 N ATOM 458 CA ASP A 33 -1.441 -3.113 -6.010 1.00 0.00 C ATOM 459 C ASP A 33 -2.368 -2.992 -4.796 1.00 0.00 C ATOM 460 O ASP A 33 -1.933 -3.086 -3.665 1.00 0.00 O ATOM 461 CB ASP A 33 -1.644 -4.485 -6.695 1.00 0.00 C ATOM 462 CG ASP A 33 -3.144 -4.866 -6.788 1.00 0.00 C ATOM 463 OD1 ASP A 33 -3.848 -4.218 -7.543 1.00 0.00 O ATOM 464 OD2 ASP A 33 -3.508 -5.794 -6.082 1.00 0.00 O ATOM 0 H ASP A 33 0.239 -3.715 -4.858 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.666 -2.323 -6.726 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.213 -4.459 -7.696 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.108 -5.253 -6.137 1.00 0.00 H new ATOM 469 N PHE A 34 -3.624 -2.780 -5.088 1.00 0.00 N ATOM 470 CA PHE A 34 -4.659 -2.654 -4.026 1.00 0.00 C ATOM 471 C PHE A 34 -5.815 -3.531 -4.505 1.00 0.00 C ATOM 472 O PHE A 34 -5.943 -3.770 -5.691 1.00 0.00 O ATOM 473 CB PHE A 34 -5.139 -1.199 -3.888 1.00 0.00 C ATOM 474 CG PHE A 34 -6.113 -1.147 -2.694 1.00 0.00 C ATOM 475 CD1 PHE A 34 -5.632 -1.311 -1.406 1.00 0.00 C ATOM 476 CD2 PHE A 34 -7.472 -0.946 -2.880 1.00 0.00 C ATOM 477 CE1 PHE A 34 -6.486 -1.274 -0.325 1.00 0.00 C ATOM 478 CE2 PHE A 34 -8.327 -0.909 -1.796 1.00 0.00 C ATOM 479 CZ PHE A 34 -7.834 -1.074 -0.519 1.00 0.00 C ATOM 0 H PHE A 34 -3.981 -2.687 -6.039 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.271 -2.952 -3.052 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.294 -0.530 -3.724 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.634 -0.870 -4.802 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.576 -1.470 -1.247 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.864 -0.818 -3.878 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.098 -1.402 0.675 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.384 -0.750 -1.949 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.504 -1.046 0.327 1.00 0.00 H new ATOM 489 N SER A 35 -6.624 -3.994 -3.585 1.00 0.00 N ATOM 490 CA SER A 35 -7.775 -4.857 -3.981 1.00 0.00 C ATOM 491 C SER A 35 -8.973 -4.646 -3.056 1.00 0.00 C ATOM 492 O SER A 35 -9.171 -5.361 -2.094 1.00 0.00 O ATOM 493 CB SER A 35 -7.314 -6.330 -3.942 1.00 0.00 C ATOM 494 OG SER A 35 -6.277 -6.418 -4.910 1.00 0.00 O ATOM 0 H SER A 35 -6.537 -3.813 -2.585 1.00 0.00 H new ATOM 0 HA SER A 35 -8.096 -4.590 -4.988 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.953 -6.604 -2.951 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.135 -7.007 -4.180 1.00 0.00 H new ATOM 0 HG SER A 35 -5.933 -7.335 -4.938 1.00 0.00 H new ATOM 500 N TYR A 36 -9.727 -3.644 -3.420 1.00 0.00 N ATOM 501 CA TYR A 36 -10.964 -3.223 -2.690 1.00 0.00 C ATOM 502 C TYR A 36 -11.917 -4.389 -2.387 1.00 0.00 C ATOM 503 O TYR A 36 -12.196 -5.208 -3.241 1.00 0.00 O ATOM 504 CB TYR A 36 -11.607 -2.151 -3.584 1.00 0.00 C ATOM 505 CG TYR A 36 -13.070 -1.768 -3.272 1.00 0.00 C ATOM 506 CD1 TYR A 36 -13.594 -1.774 -1.996 1.00 0.00 C ATOM 507 CD2 TYR A 36 -13.892 -1.393 -4.320 1.00 0.00 C ATOM 508 CE1 TYR A 36 -14.906 -1.414 -1.774 1.00 0.00 C ATOM 509 CE2 TYR A 36 -15.204 -1.033 -4.097 1.00 0.00 C ATOM 510 CZ TYR A 36 -15.719 -1.041 -2.820 1.00 0.00 C ATOM 511 OH TYR A 36 -17.031 -0.683 -2.591 1.00 0.00 O ATOM 0 H TYR A 36 -9.525 -3.069 -4.238 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.723 -2.834 -1.701 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -10.999 -1.248 -3.522 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -11.560 -2.497 -4.617 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -12.970 -2.063 -1.163 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -13.500 -1.382 -5.326 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -15.300 -1.425 -0.769 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -15.831 -0.743 -4.928 1.00 0.00 H new ATOM 0 HH TYR A 36 -17.459 -0.447 -3.441 1.00 0.00 H new ATOM 521 N THR A 37 -12.376 -4.407 -1.160 1.00 0.00 N ATOM 522 CA THR A 37 -13.316 -5.463 -0.680 1.00 0.00 C ATOM 523 C THR A 37 -14.123 -4.801 0.441 1.00 0.00 C ATOM 524 O THR A 37 -13.820 -4.942 1.612 1.00 0.00 O ATOM 525 CB THR A 37 -12.521 -6.683 -0.130 1.00 0.00 C ATOM 526 OG1 THR A 37 -11.656 -7.080 -1.185 1.00 0.00 O ATOM 527 CG2 THR A 37 -13.445 -7.897 0.070 1.00 0.00 C ATOM 0 H THR A 37 -12.130 -3.714 -0.453 1.00 0.00 H new ATOM 0 HA THR A 37 -13.958 -5.835 -1.479 1.00 0.00 H new ATOM 0 HB THR A 37 -12.034 -6.407 0.806 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.122 -7.850 -0.898 1.00 0.00 H new ATOM 0 HG21 THR A 37 -12.865 -8.736 0.455 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.231 -7.643 0.781 1.00 0.00 H new ATOM 0 HG23 THR A 37 -13.894 -8.174 -0.884 1.00 0.00 H new ATOM 535 N GLY A 38 -15.138 -4.083 0.031 1.00 0.00 N ATOM 536 CA GLY A 38 -16.020 -3.372 0.992 1.00 0.00 C ATOM 537 C GLY A 38 -15.272 -2.320 1.820 1.00 0.00 C ATOM 538 O GLY A 38 -15.759 -1.918 2.859 1.00 0.00 O ATOM 0 H GLY A 38 -15.393 -3.961 -0.949 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -16.830 -2.889 0.446 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -16.478 -4.098 1.664 1.00 0.00 H new ATOM 542 N GLN A 39 -14.117 -1.903 1.349 1.00 0.00 N ATOM 543 CA GLN A 39 -13.341 -0.878 2.113 1.00 0.00 C ATOM 544 C GLN A 39 -12.308 -0.140 1.255 1.00 0.00 C ATOM 545 O GLN A 39 -11.921 -0.598 0.198 1.00 0.00 O ATOM 546 CB GLN A 39 -12.647 -1.583 3.283 1.00 0.00 C ATOM 547 CG GLN A 39 -12.431 -0.609 4.434 1.00 0.00 C ATOM 548 CD GLN A 39 -13.774 -0.153 4.987 1.00 0.00 C ATOM 549 OE1 GLN A 39 -14.158 0.996 4.899 1.00 0.00 O ATOM 550 NE2 GLN A 39 -14.512 -1.054 5.565 1.00 0.00 N ATOM 0 H GLN A 39 -13.686 -2.224 0.482 1.00 0.00 H new ATOM 0 HA GLN A 39 -14.038 -0.117 2.465 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.252 -2.425 3.619 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -11.689 -1.988 2.956 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -11.847 -1.086 5.221 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.858 0.252 4.090 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -14.181 -2.016 5.634 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -15.422 -0.798 5.949 1.00 0.00 H new ATOM 559 N THR A 40 -11.884 0.996 1.752 1.00 0.00 N ATOM 560 CA THR A 40 -10.887 1.839 1.045 1.00 0.00 C ATOM 561 C THR A 40 -9.555 1.891 1.805 1.00 0.00 C ATOM 562 O THR A 40 -9.426 1.324 2.875 1.00 0.00 O ATOM 563 CB THR A 40 -11.517 3.232 0.900 1.00 0.00 C ATOM 564 OG1 THR A 40 -11.893 3.618 2.214 1.00 0.00 O ATOM 565 CG2 THR A 40 -12.853 3.190 0.125 1.00 0.00 C ATOM 0 H THR A 40 -12.200 1.379 2.643 1.00 0.00 H new ATOM 0 HA THR A 40 -10.649 1.423 0.066 1.00 0.00 H new ATOM 0 HB THR A 40 -10.809 3.885 0.390 1.00 0.00 H new ATOM 0 HG1 THR A 40 -11.089 3.808 2.742 1.00 0.00 H new ATOM 0 HG21 THR A 40 -13.261 4.198 0.048 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.681 2.790 -0.875 1.00 0.00 H new ATOM 0 HG23 THR A 40 -13.561 2.552 0.654 1.00 0.00 H new ATOM 573 N ALA A 41 -8.606 2.575 1.214 1.00 0.00 N ATOM 574 CA ALA A 41 -7.252 2.715 1.834 1.00 0.00 C ATOM 575 C ALA A 41 -6.631 4.086 1.530 1.00 0.00 C ATOM 576 O ALA A 41 -7.157 4.857 0.749 1.00 0.00 O ATOM 577 CB ALA A 41 -6.352 1.600 1.291 1.00 0.00 C ATOM 0 H ALA A 41 -8.714 3.048 0.317 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.349 2.635 2.917 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.359 1.686 1.733 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.780 0.630 1.546 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.276 1.689 0.207 1.00 0.00 H new ATOM 583 N ALA A 42 -5.519 4.328 2.175 1.00 0.00 N ATOM 584 CA ALA A 42 -4.759 5.608 2.020 1.00 0.00 C ATOM 585 C ALA A 42 -3.282 5.369 2.351 1.00 0.00 C ATOM 586 O ALA A 42 -2.972 4.508 3.148 1.00 0.00 O ATOM 587 CB ALA A 42 -5.358 6.645 2.967 1.00 0.00 C ATOM 0 H ALA A 42 -5.091 3.669 2.825 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.829 5.970 0.994 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.816 7.585 2.867 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.407 6.803 2.717 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.280 6.288 3.994 1.00 0.00 H new ATOM 593 N LEU A 43 -2.415 6.138 1.736 1.00 0.00 N ATOM 594 CA LEU A 43 -0.947 6.001 1.972 1.00 0.00 C ATOM 595 C LEU A 43 -0.410 7.153 2.812 1.00 0.00 C ATOM 596 O LEU A 43 -0.601 8.312 2.500 1.00 0.00 O ATOM 597 CB LEU A 43 -0.163 5.988 0.639 1.00 0.00 C ATOM 598 CG LEU A 43 -0.084 4.601 -0.057 1.00 0.00 C ATOM 599 CD1 LEU A 43 0.576 3.526 0.840 1.00 0.00 C ATOM 600 CD2 LEU A 43 -1.457 4.132 -0.513 1.00 0.00 C ATOM 0 H LEU A 43 -2.670 6.867 1.069 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.808 5.057 2.499 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.628 6.697 -0.046 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.850 6.343 0.826 1.00 0.00 H new ATOM 0 HG LEU A 43 0.551 4.734 -0.933 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.607 2.576 0.307 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.591 3.834 1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.004 3.410 1.755 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.367 3.159 -0.996 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.118 4.049 0.350 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.871 4.851 -1.220 1.00 0.00 H new ATOM 612 N TYR A 44 0.255 6.756 3.859 1.00 0.00 N ATOM 613 CA TYR A 44 0.874 7.700 4.824 1.00 0.00 C ATOM 614 C TYR A 44 2.391 7.670 4.640 1.00 0.00 C ATOM 615 O TYR A 44 3.070 6.770 5.097 1.00 0.00 O ATOM 616 CB TYR A 44 0.440 7.249 6.226 1.00 0.00 C ATOM 617 CG TYR A 44 -1.000 7.717 6.491 1.00 0.00 C ATOM 618 CD1 TYR A 44 -2.062 7.214 5.762 1.00 0.00 C ATOM 619 CD2 TYR A 44 -1.251 8.662 7.465 1.00 0.00 C ATOM 620 CE1 TYR A 44 -3.345 7.649 6.006 1.00 0.00 C ATOM 621 CE2 TYR A 44 -2.536 9.096 7.708 1.00 0.00 C ATOM 622 CZ TYR A 44 -3.592 8.592 6.978 1.00 0.00 C ATOM 623 OH TYR A 44 -4.880 9.026 7.215 1.00 0.00 O ATOM 0 H TYR A 44 0.399 5.774 4.093 1.00 0.00 H new ATOM 0 HA TYR A 44 0.556 8.731 4.669 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.502 6.164 6.306 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.113 7.663 6.977 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.883 6.474 4.996 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.432 9.065 8.042 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.165 7.247 5.430 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.717 9.835 8.474 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.874 9.691 7.935 1.00 0.00 H new ATOM 633 N ASN A 45 2.867 8.682 3.957 1.00 0.00 N ATOM 634 CA ASN A 45 4.329 8.819 3.679 1.00 0.00 C ATOM 635 C ASN A 45 5.149 8.940 4.971 1.00 0.00 C ATOM 636 O ASN A 45 6.358 8.812 4.947 1.00 0.00 O ATOM 637 CB ASN A 45 4.523 10.060 2.786 1.00 0.00 C ATOM 638 CG ASN A 45 6.007 10.251 2.445 1.00 0.00 C ATOM 639 OD1 ASN A 45 6.618 9.438 1.781 1.00 0.00 O ATOM 640 ND2 ASN A 45 6.624 11.315 2.882 1.00 0.00 N ATOM 0 H ASN A 45 2.292 9.432 3.574 1.00 0.00 H new ATOM 0 HA ASN A 45 4.689 7.923 3.172 1.00 0.00 H new ATOM 0 HB2 ASN A 45 3.945 9.949 1.869 1.00 0.00 H new ATOM 0 HB3 ASN A 45 4.144 10.945 3.297 1.00 0.00 H new ATOM 0 HD21 ASN A 45 7.610 11.458 2.665 1.00 0.00 H new ATOM 0 HD22 ASN A 45 6.120 12.004 3.440 1.00 0.00 H new ATOM 647 N GLN A 46 4.464 9.185 6.058 1.00 0.00 N ATOM 648 CA GLN A 46 5.150 9.322 7.374 1.00 0.00 C ATOM 649 C GLN A 46 5.155 7.951 8.057 1.00 0.00 C ATOM 650 O GLN A 46 4.133 7.294 8.143 1.00 0.00 O ATOM 651 CB GLN A 46 4.396 10.329 8.258 1.00 0.00 C ATOM 652 CG GLN A 46 4.060 11.629 7.488 1.00 0.00 C ATOM 653 CD GLN A 46 5.300 12.225 6.826 1.00 0.00 C ATOM 654 OE1 GLN A 46 5.428 12.083 5.538 1.00 0.00 O flip ATOM 655 NE2 GLN A 46 6.150 12.817 7.461 1.00 0.00 N flip ATOM 0 H GLN A 46 3.451 9.297 6.089 1.00 0.00 H new ATOM 0 HA GLN A 46 6.169 9.679 7.226 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.475 9.874 8.623 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.001 10.570 9.132 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.307 11.419 6.729 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.627 12.357 8.174 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.048 12.927 8.470 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.965 13.204 6.985 1.00 0.00 H new ATOM 664 N ALA A 47 6.319 7.569 8.514 1.00 0.00 N ATOM 665 CA ALA A 47 6.497 6.258 9.209 1.00 0.00 C ATOM 666 C ALA A 47 5.537 6.094 10.392 1.00 0.00 C ATOM 667 O ALA A 47 5.119 7.058 11.007 1.00 0.00 O ATOM 668 CB ALA A 47 7.943 6.154 9.709 1.00 0.00 C ATOM 0 H ALA A 47 7.172 8.122 8.433 1.00 0.00 H new ATOM 0 HA ALA A 47 6.274 5.465 8.495 1.00 0.00 H new ATOM 0 HB1 ALA A 47 8.084 5.201 10.218 1.00 0.00 H new ATOM 0 HB2 ALA A 47 8.626 6.218 8.862 1.00 0.00 H new ATOM 0 HB3 ALA A 47 8.148 6.970 10.403 1.00 0.00 H new ATOM 674 N GLY A 48 5.219 4.853 10.655 1.00 0.00 N ATOM 675 CA GLY A 48 4.296 4.523 11.779 1.00 0.00 C ATOM 676 C GLY A 48 2.895 5.091 11.547 1.00 0.00 C ATOM 677 O GLY A 48 2.160 5.291 12.496 1.00 0.00 O ATOM 0 H GLY A 48 5.563 4.047 10.133 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.235 3.441 11.894 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.700 4.920 12.710 1.00 0.00 H new ATOM 681 N CYS A 49 2.571 5.339 10.296 1.00 0.00 N ATOM 682 CA CYS A 49 1.227 5.895 9.924 1.00 0.00 C ATOM 683 C CYS A 49 0.951 7.259 10.584 1.00 0.00 C ATOM 684 O CYS A 49 -0.173 7.724 10.594 1.00 0.00 O ATOM 685 CB CYS A 49 0.190 4.854 10.346 1.00 0.00 C ATOM 686 SG CYS A 49 0.568 3.165 9.824 1.00 0.00 S ATOM 0 H CYS A 49 3.193 5.176 9.504 1.00 0.00 H new ATOM 0 HA CYS A 49 1.185 6.082 8.851 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.096 4.873 11.432 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.779 5.139 9.937 1.00 0.00 H new ATOM 691 N SER A 50 1.994 7.853 11.113 1.00 0.00 N ATOM 692 CA SER A 50 1.874 9.181 11.790 1.00 0.00 C ATOM 693 C SER A 50 2.033 10.305 10.753 1.00 0.00 C ATOM 694 O SER A 50 2.954 11.098 10.814 1.00 0.00 O ATOM 695 CB SER A 50 2.969 9.258 12.874 1.00 0.00 C ATOM 696 OG SER A 50 2.687 8.159 13.730 1.00 0.00 O ATOM 0 H SER A 50 2.938 7.466 11.103 1.00 0.00 H new ATOM 0 HA SER A 50 0.895 9.298 12.255 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.966 9.180 12.440 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.930 10.204 13.414 1.00 0.00 H new ATOM 0 HG SER A 50 3.345 8.132 14.455 1.00 0.00 H new ATOM 702 N GLY A 51 1.108 10.327 9.827 1.00 0.00 N ATOM 703 CA GLY A 51 1.120 11.354 8.742 1.00 0.00 C ATOM 704 C GLY A 51 -0.289 11.726 8.288 1.00 0.00 C ATOM 705 O GLY A 51 -1.193 11.896 9.084 1.00 0.00 O ATOM 0 H GLY A 51 0.333 9.666 9.777 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.634 12.248 9.095 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.686 10.975 7.891 1.00 0.00 H new ATOM 709 N VAL A 52 -0.400 11.835 6.991 1.00 0.00 N ATOM 710 CA VAL A 52 -1.683 12.189 6.309 1.00 0.00 C ATOM 711 C VAL A 52 -1.775 11.281 5.070 1.00 0.00 C ATOM 712 O VAL A 52 -0.852 10.542 4.796 1.00 0.00 O ATOM 713 CB VAL A 52 -1.614 13.709 5.942 1.00 0.00 C ATOM 714 CG1 VAL A 52 -0.474 13.964 4.920 1.00 0.00 C ATOM 715 CG2 VAL A 52 -2.947 14.219 5.345 1.00 0.00 C ATOM 0 H VAL A 52 0.379 11.687 6.349 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.570 12.037 6.924 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.419 14.253 6.866 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.437 15.025 4.673 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.478 13.659 5.354 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.662 13.387 4.014 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.856 15.278 5.104 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.177 13.659 4.439 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.748 14.079 6.071 1.00 0.00 H new ATOM 725 N ALA A 53 -2.868 11.347 4.356 1.00 0.00 N ATOM 726 CA ALA A 53 -3.024 10.498 3.136 1.00 0.00 C ATOM 727 C ALA A 53 -2.450 11.233 1.916 1.00 0.00 C ATOM 728 O ALA A 53 -2.558 12.440 1.814 1.00 0.00 O ATOM 729 CB ALA A 53 -4.496 10.216 2.911 1.00 0.00 C ATOM 0 H ALA A 53 -3.661 11.953 4.565 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.487 9.560 3.274 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.616 9.597 2.022 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.902 9.692 3.776 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.030 11.156 2.773 1.00 0.00 H new ATOM 735 N HIS A 54 -1.858 10.471 1.032 1.00 0.00 N ATOM 736 CA HIS A 54 -1.246 11.030 -0.217 1.00 0.00 C ATOM 737 C HIS A 54 -1.941 10.376 -1.415 1.00 0.00 C ATOM 738 O HIS A 54 -2.406 11.045 -2.316 1.00 0.00 O ATOM 739 CB HIS A 54 0.251 10.697 -0.260 1.00 0.00 C ATOM 740 CG HIS A 54 1.011 11.358 0.895 1.00 0.00 C ATOM 741 ND1 HIS A 54 1.973 12.209 0.759 1.00 0.00 N ATOM 742 CD2 HIS A 54 0.874 11.223 2.264 1.00 0.00 C ATOM 743 CE1 HIS A 54 2.402 12.576 1.924 1.00 0.00 C ATOM 744 NE2 HIS A 54 1.745 11.987 2.892 1.00 0.00 N ATOM 0 H HIS A 54 -1.770 9.459 1.124 1.00 0.00 H new ATOM 0 HA HIS A 54 -1.367 12.113 -0.242 1.00 0.00 H new ATOM 0 HB2 HIS A 54 0.385 9.616 -0.213 1.00 0.00 H new ATOM 0 HB3 HIS A 54 0.671 11.029 -1.209 1.00 0.00 H new ATOM 0 HD2 HIS A 54 0.154 10.581 2.751 1.00 0.00 H new ATOM 0 HE1 HIS A 54 3.204 13.282 2.079 1.00 0.00 H new ATOM 0 HE2 HIS A 54 1.877 12.095 3.898 1.00 0.00 H new ATOM 752 N THR A 55 -1.975 9.068 -1.362 1.00 0.00 N ATOM 753 CA THR A 55 -2.609 8.243 -2.432 1.00 0.00 C ATOM 754 C THR A 55 -3.681 7.376 -1.770 1.00 0.00 C ATOM 755 O THR A 55 -3.381 6.604 -0.880 1.00 0.00 O ATOM 756 CB THR A 55 -1.520 7.379 -3.087 1.00 0.00 C ATOM 757 OG1 THR A 55 -0.614 8.336 -3.616 1.00 0.00 O ATOM 758 CG2 THR A 55 -2.049 6.627 -4.320 1.00 0.00 C ATOM 0 H THR A 55 -1.577 8.523 -0.597 1.00 0.00 H new ATOM 0 HA THR A 55 -3.071 8.858 -3.204 1.00 0.00 H new ATOM 0 HB THR A 55 -1.122 6.662 -2.369 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.285 8.165 -3.264 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.247 6.028 -4.753 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.870 5.974 -4.023 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.405 7.345 -5.059 1.00 0.00 H new ATOM 766 N ARG A 56 -4.895 7.534 -2.229 1.00 0.00 N ATOM 767 CA ARG A 56 -6.039 6.751 -1.669 1.00 0.00 C ATOM 768 C ARG A 56 -6.552 5.711 -2.667 1.00 0.00 C ATOM 769 O ARG A 56 -6.998 6.056 -3.745 1.00 0.00 O ATOM 770 CB ARG A 56 -7.168 7.732 -1.298 1.00 0.00 C ATOM 771 CG ARG A 56 -6.657 8.735 -0.238 1.00 0.00 C ATOM 772 CD ARG A 56 -7.760 9.756 0.080 1.00 0.00 C ATOM 773 NE ARG A 56 -7.209 10.731 1.073 1.00 0.00 N ATOM 774 CZ ARG A 56 -7.810 11.866 1.334 1.00 0.00 C ATOM 775 NH1 ARG A 56 -8.923 12.187 0.730 1.00 0.00 N ATOM 776 NH2 ARG A 56 -7.264 12.662 2.212 1.00 0.00 N ATOM 0 H ARG A 56 -5.146 8.180 -2.977 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.699 6.211 -0.785 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.505 8.266 -2.186 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.027 7.184 -0.910 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.366 8.205 0.669 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.768 9.248 -0.606 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.076 10.272 -0.827 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.639 9.255 0.484 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.342 10.506 1.560 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.334 11.551 0.046 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.381 13.073 0.942 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.394 12.393 2.673 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.707 13.553 2.438 1.00 0.00 H new ATOM 790 N PHE A 57 -6.468 4.467 -2.266 1.00 0.00 N ATOM 791 CA PHE A 57 -6.935 3.346 -3.136 1.00 0.00 C ATOM 792 C PHE A 57 -8.306 2.881 -2.630 1.00 0.00 C ATOM 793 O PHE A 57 -8.406 2.057 -1.740 1.00 0.00 O ATOM 794 CB PHE A 57 -5.938 2.165 -3.073 1.00 0.00 C ATOM 795 CG PHE A 57 -4.551 2.541 -3.622 1.00 0.00 C ATOM 796 CD1 PHE A 57 -4.413 3.132 -4.868 1.00 0.00 C ATOM 797 CD2 PHE A 57 -3.414 2.282 -2.877 1.00 0.00 C ATOM 798 CE1 PHE A 57 -3.165 3.456 -5.358 1.00 0.00 C ATOM 799 CE2 PHE A 57 -2.169 2.607 -3.372 1.00 0.00 C ATOM 800 CZ PHE A 57 -2.042 3.192 -4.606 1.00 0.00 C ATOM 0 H PHE A 57 -6.092 4.178 -1.363 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.003 3.689 -4.168 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -5.839 1.831 -2.040 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.336 1.326 -3.643 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.291 3.341 -5.461 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.502 1.823 -1.903 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.069 3.916 -6.330 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.287 2.399 -2.784 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.064 3.445 -4.987 1.00 0.00 H new ATOM 810 N GLY A 58 -9.327 3.445 -3.224 1.00 0.00 N ATOM 811 CA GLY A 58 -10.727 3.093 -2.840 1.00 0.00 C ATOM 812 C GLY A 58 -11.197 1.861 -3.624 1.00 0.00 C ATOM 813 O GLY A 58 -12.093 1.157 -3.197 1.00 0.00 O ATOM 0 H GLY A 58 -9.249 4.141 -3.966 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.779 2.894 -1.770 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.390 3.935 -3.040 1.00 0.00 H new ATOM 817 N SER A 59 -10.561 1.651 -4.751 1.00 0.00 N ATOM 818 CA SER A 59 -10.885 0.500 -5.646 1.00 0.00 C ATOM 819 C SER A 59 -9.579 -0.156 -6.121 1.00 0.00 C ATOM 820 O SER A 59 -8.606 0.543 -6.338 1.00 0.00 O ATOM 821 CB SER A 59 -11.687 1.022 -6.848 1.00 0.00 C ATOM 822 OG SER A 59 -12.002 -0.145 -7.596 1.00 0.00 O ATOM 0 H SER A 59 -9.809 2.248 -5.095 1.00 0.00 H new ATOM 0 HA SER A 59 -11.477 -0.243 -5.111 1.00 0.00 H new ATOM 0 HB2 SER A 59 -12.589 1.544 -6.528 1.00 0.00 H new ATOM 0 HB3 SER A 59 -11.103 1.727 -7.439 1.00 0.00 H new ATOM 0 HG SER A 59 -12.521 0.105 -8.389 1.00 0.00 H new ATOM 828 N SER A 60 -9.600 -1.464 -6.256 1.00 0.00 N ATOM 829 CA SER A 60 -8.417 -2.256 -6.715 1.00 0.00 C ATOM 830 C SER A 60 -7.583 -1.491 -7.761 1.00 0.00 C ATOM 831 O SER A 60 -8.116 -1.083 -8.777 1.00 0.00 O ATOM 832 CB SER A 60 -8.919 -3.578 -7.329 1.00 0.00 C ATOM 833 OG SER A 60 -9.807 -4.126 -6.364 1.00 0.00 O ATOM 0 H SER A 60 -10.423 -2.033 -6.058 1.00 0.00 H new ATOM 0 HA SER A 60 -7.774 -2.444 -5.855 1.00 0.00 H new ATOM 0 HB2 SER A 60 -9.428 -3.403 -8.277 1.00 0.00 H new ATOM 0 HB3 SER A 60 -8.091 -4.257 -7.532 1.00 0.00 H new ATOM 0 HG SER A 60 -10.167 -4.975 -6.695 1.00 0.00 H new ATOM 839 N ALA A 61 -6.315 -1.318 -7.484 1.00 0.00 N ATOM 840 CA ALA A 61 -5.415 -0.583 -8.432 1.00 0.00 C ATOM 841 C ALA A 61 -4.061 -1.287 -8.566 1.00 0.00 C ATOM 842 O ALA A 61 -3.246 -1.219 -7.669 1.00 0.00 O ATOM 843 CB ALA A 61 -5.225 0.849 -7.903 1.00 0.00 C ATOM 0 H ALA A 61 -5.859 -1.656 -6.636 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.869 -0.562 -9.423 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.573 1.403 -8.578 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.193 1.347 -7.844 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.775 0.814 -6.911 1.00 0.00 H new ATOM 849 N ARG A 62 -3.873 -1.938 -9.687 1.00 0.00 N ATOM 850 CA ARG A 62 -2.614 -2.687 -9.997 1.00 0.00 C ATOM 851 C ARG A 62 -1.449 -1.762 -10.396 1.00 0.00 C ATOM 852 O ARG A 62 -1.112 -1.680 -11.563 1.00 0.00 O ATOM 853 CB ARG A 62 -2.947 -3.681 -11.136 1.00 0.00 C ATOM 854 CG ARG A 62 -3.851 -4.834 -10.639 1.00 0.00 C ATOM 855 CD ARG A 62 -3.000 -5.927 -9.948 1.00 0.00 C ATOM 856 NE ARG A 62 -2.098 -6.556 -10.964 1.00 0.00 N ATOM 857 CZ ARG A 62 -2.511 -7.505 -11.769 1.00 0.00 C ATOM 858 NH1 ARG A 62 -3.741 -7.942 -11.714 1.00 0.00 N ATOM 859 NH2 ARG A 62 -1.655 -7.995 -12.622 1.00 0.00 N ATOM 0 H ARG A 62 -4.570 -1.982 -10.430 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.274 -3.208 -9.102 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.445 -3.151 -11.948 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -2.023 -4.092 -11.543 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.594 -4.447 -9.941 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.396 -5.265 -11.479 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.412 -5.492 -9.140 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.647 -6.681 -9.500 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.132 -6.236 -11.032 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.394 -7.544 -11.039 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.049 -8.681 -12.346 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.700 -7.639 -12.647 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.941 -8.734 -13.264 1.00 0.00 H new ATOM 873 N ALA A 63 -0.860 -1.088 -9.436 1.00 0.00 N ATOM 874 CA ALA A 63 0.280 -0.180 -9.780 1.00 0.00 C ATOM 875 C ALA A 63 1.614 -0.940 -9.687 1.00 0.00 C ATOM 876 O ALA A 63 1.729 -1.907 -8.958 1.00 0.00 O ATOM 877 CB ALA A 63 0.278 1.033 -8.818 1.00 0.00 C ATOM 0 H ALA A 63 -1.113 -1.125 -8.449 1.00 0.00 H new ATOM 0 HA ALA A 63 0.162 0.176 -10.804 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.107 1.696 -9.066 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.662 1.575 -8.918 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.388 0.683 -7.791 1.00 0.00 H new ATOM 883 N CYS A 64 2.587 -0.485 -10.436 1.00 0.00 N ATOM 884 CA CYS A 64 3.937 -1.140 -10.433 1.00 0.00 C ATOM 885 C CYS A 64 5.020 -0.056 -10.546 1.00 0.00 C ATOM 886 O CYS A 64 6.146 -0.318 -10.918 1.00 0.00 O ATOM 887 CB CYS A 64 3.994 -2.123 -11.621 1.00 0.00 C ATOM 888 SG CYS A 64 2.589 -3.261 -11.742 1.00 0.00 S ATOM 0 H CYS A 64 2.505 0.320 -11.057 1.00 0.00 H new ATOM 0 HA CYS A 64 4.110 -1.692 -9.509 1.00 0.00 H new ATOM 0 HB2 CYS A 64 4.058 -1.549 -12.545 1.00 0.00 H new ATOM 0 HB3 CYS A 64 4.911 -2.708 -11.545 1.00 0.00 H new ATOM 893 N ASN A 65 4.625 1.147 -10.214 1.00 0.00 N ATOM 894 CA ASN A 65 5.537 2.324 -10.256 1.00 0.00 C ATOM 895 C ASN A 65 6.401 2.256 -8.981 1.00 0.00 C ATOM 896 O ASN A 65 6.050 1.515 -8.087 1.00 0.00 O ATOM 897 CB ASN A 65 4.664 3.578 -10.279 1.00 0.00 C ATOM 898 CG ASN A 65 3.726 3.520 -11.488 1.00 0.00 C ATOM 899 OD1 ASN A 65 2.656 2.947 -11.436 1.00 0.00 O ATOM 900 ND2 ASN A 65 4.095 4.103 -12.594 1.00 0.00 N ATOM 0 H ASN A 65 3.677 1.365 -9.906 1.00 0.00 H new ATOM 0 HA ASN A 65 6.186 2.338 -11.131 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.085 3.649 -9.358 1.00 0.00 H new ATOM 0 HB3 ASN A 65 5.289 4.469 -10.332 1.00 0.00 H new ATOM 0 HD21 ASN A 65 3.486 4.077 -13.412 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.993 4.585 -12.641 1.00 0.00 H new ATOM 907 N PRO A 66 7.487 2.996 -8.902 1.00 0.00 N ATOM 908 CA PRO A 66 8.285 3.098 -7.641 1.00 0.00 C ATOM 909 C PRO A 66 7.392 3.570 -6.478 1.00 0.00 C ATOM 910 O PRO A 66 6.458 4.321 -6.687 1.00 0.00 O ATOM 911 CB PRO A 66 9.417 4.080 -7.941 1.00 0.00 C ATOM 912 CG PRO A 66 9.377 4.373 -9.453 1.00 0.00 C ATOM 913 CD PRO A 66 8.063 3.806 -10.017 1.00 0.00 C ATOM 0 HA PRO A 66 8.692 2.136 -7.330 1.00 0.00 H new ATOM 0 HB2 PRO A 66 9.292 4.999 -7.368 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.380 3.656 -7.657 1.00 0.00 H new ATOM 0 HG2 PRO A 66 9.437 5.446 -9.634 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.233 3.917 -9.951 1.00 0.00 H new ATOM 0 HD2 PRO A 66 7.384 4.604 -10.317 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.244 3.192 -10.899 1.00 0.00 H new ATOM 921 N PHE A 67 7.709 3.114 -5.291 1.00 0.00 N ATOM 922 CA PHE A 67 6.912 3.503 -4.081 1.00 0.00 C ATOM 923 C PHE A 67 7.107 5.001 -3.799 1.00 0.00 C ATOM 924 O PHE A 67 7.919 5.649 -4.433 1.00 0.00 O ATOM 925 CB PHE A 67 7.395 2.667 -2.878 1.00 0.00 C ATOM 926 CG PHE A 67 6.222 2.319 -1.957 1.00 0.00 C ATOM 927 CD1 PHE A 67 5.352 1.309 -2.309 1.00 0.00 C ATOM 928 CD2 PHE A 67 6.020 3.003 -0.775 1.00 0.00 C ATOM 929 CE1 PHE A 67 4.290 0.986 -1.496 1.00 0.00 C ATOM 930 CE2 PHE A 67 4.956 2.682 0.042 1.00 0.00 C ATOM 931 CZ PHE A 67 4.092 1.672 -0.320 1.00 0.00 C ATOM 0 H PHE A 67 8.490 2.485 -5.105 1.00 0.00 H new ATOM 0 HA PHE A 67 5.852 3.314 -4.252 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.870 1.752 -3.232 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.149 3.223 -2.321 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.505 0.767 -3.230 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.698 3.793 -0.489 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.612 0.195 -1.781 1.00 0.00 H new ATOM 0 HE2 PHE A 67 4.800 3.222 0.964 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.259 1.419 0.319 1.00 0.00 H new ATOM 941 N GLY A 68 6.358 5.509 -2.855 1.00 0.00 N ATOM 942 CA GLY A 68 6.474 6.956 -2.503 1.00 0.00 C ATOM 943 C GLY A 68 5.914 7.259 -1.113 1.00 0.00 C ATOM 944 O GLY A 68 5.811 8.414 -0.745 1.00 0.00 O ATOM 0 H GLY A 68 5.671 4.985 -2.313 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.521 7.255 -2.544 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.943 7.552 -3.245 1.00 0.00 H new ATOM 948 N TRP A 69 5.566 6.225 -0.386 1.00 0.00 N ATOM 949 CA TRP A 69 5.005 6.413 0.992 1.00 0.00 C ATOM 950 C TRP A 69 5.774 5.546 2.000 1.00 0.00 C ATOM 951 O TRP A 69 6.787 4.972 1.646 1.00 0.00 O ATOM 952 CB TRP A 69 3.515 6.034 0.939 1.00 0.00 C ATOM 953 CG TRP A 69 2.902 6.785 -0.255 1.00 0.00 C ATOM 954 CD1 TRP A 69 2.339 8.030 -0.227 1.00 0.00 C ATOM 955 CD2 TRP A 69 2.850 6.318 -1.533 1.00 0.00 C ATOM 956 NE1 TRP A 69 1.985 8.248 -1.471 1.00 0.00 N ATOM 957 CE2 TRP A 69 2.246 7.286 -2.328 1.00 0.00 C ATOM 958 CE3 TRP A 69 3.276 5.120 -2.104 1.00 0.00 C ATOM 959 CZ2 TRP A 69 2.073 7.059 -3.688 1.00 0.00 C ATOM 960 CZ3 TRP A 69 3.103 4.892 -3.463 1.00 0.00 C ATOM 961 CH2 TRP A 69 2.500 5.863 -4.258 1.00 0.00 C ATOM 0 H TRP A 69 5.646 5.254 -0.688 1.00 0.00 H new ATOM 0 HA TRP A 69 5.109 7.447 1.320 1.00 0.00 H new ATOM 0 HB2 TRP A 69 3.395 4.957 0.820 1.00 0.00 H new ATOM 0 HB3 TRP A 69 3.014 6.310 1.867 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.214 8.684 0.624 1.00 0.00 H new ATOM 0 HE1 TRP A 69 1.532 9.116 -1.758 1.00 0.00 H new ATOM 0 HE3 TRP A 69 3.742 4.366 -1.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 1.606 7.813 -4.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 3.436 3.963 -3.902 1.00 0.00 H new ATOM 0 HH2 TRP A 69 2.364 5.689 -5.315 1.00 0.00 H new ATOM 972 N LYS A 70 5.290 5.467 3.218 1.00 0.00 N ATOM 973 CA LYS A 70 5.975 4.649 4.260 1.00 0.00 C ATOM 974 C LYS A 70 5.017 3.644 4.928 1.00 0.00 C ATOM 975 O LYS A 70 5.460 2.634 5.440 1.00 0.00 O ATOM 976 CB LYS A 70 6.559 5.643 5.274 1.00 0.00 C ATOM 977 CG LYS A 70 7.532 4.952 6.228 1.00 0.00 C ATOM 978 CD LYS A 70 8.773 4.312 5.532 1.00 0.00 C ATOM 979 CE LYS A 70 9.637 5.358 4.782 1.00 0.00 C ATOM 980 NZ LYS A 70 8.964 5.829 3.537 1.00 0.00 N ATOM 0 H LYS A 70 4.443 5.940 3.533 1.00 0.00 H new ATOM 0 HA LYS A 70 6.762 4.039 3.816 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.073 6.446 4.745 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.751 6.102 5.844 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.878 5.678 6.964 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.996 4.175 6.774 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.386 3.808 6.280 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.438 3.550 4.828 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.831 6.208 5.436 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.604 4.921 4.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.678 6.008 2.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.301 5.101 3.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.443 6.707 3.735 1.00 0.00 H new ATOM 994 N SER A 71 3.743 3.947 4.903 1.00 0.00 N ATOM 995 CA SER A 71 2.709 3.051 5.516 1.00 0.00 C ATOM 996 C SER A 71 1.394 3.099 4.734 1.00 0.00 C ATOM 997 O SER A 71 1.164 3.989 3.941 1.00 0.00 O ATOM 998 CB SER A 71 2.471 3.470 6.982 1.00 0.00 C ATOM 999 OG SER A 71 2.340 4.882 6.976 1.00 0.00 O ATOM 0 H SER A 71 3.367 4.794 4.476 1.00 0.00 H new ATOM 0 HA SER A 71 3.077 2.026 5.482 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.573 2.998 7.380 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.302 3.159 7.615 1.00 0.00 H new ATOM 0 HG SER A 71 3.111 5.284 7.429 1.00 0.00 H new ATOM 1005 N ILE A 72 0.581 2.110 5.005 1.00 0.00 N ATOM 1006 CA ILE A 72 -0.752 1.961 4.350 1.00 0.00 C ATOM 1007 C ILE A 72 -1.866 1.808 5.398 1.00 0.00 C ATOM 1008 O ILE A 72 -1.920 0.844 6.132 1.00 0.00 O ATOM 1009 CB ILE A 72 -0.677 0.736 3.414 1.00 0.00 C ATOM 1010 CG1 ILE A 72 -2.015 0.574 2.673 1.00 0.00 C ATOM 1011 CG2 ILE A 72 -0.333 -0.578 4.162 1.00 0.00 C ATOM 1012 CD1 ILE A 72 -2.185 1.592 1.530 1.00 0.00 C ATOM 0 H ILE A 72 0.796 1.374 5.678 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.996 2.853 3.772 1.00 0.00 H new ATOM 0 HB ILE A 72 0.133 0.921 2.708 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.082 -0.436 2.268 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.835 0.689 3.382 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.295 -1.403 3.450 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.636 -0.475 4.651 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.098 -0.781 4.912 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.146 1.433 1.041 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.147 2.603 1.935 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.382 1.461 0.804 1.00 0.00 H new ATOM 1024 N PHE A 73 -2.721 2.794 5.419 1.00 0.00 N ATOM 1025 CA PHE A 73 -3.882 2.838 6.360 1.00 0.00 C ATOM 1026 C PHE A 73 -5.113 2.244 5.647 1.00 0.00 C ATOM 1027 O PHE A 73 -5.507 2.749 4.614 1.00 0.00 O ATOM 1028 CB PHE A 73 -4.060 4.329 6.761 1.00 0.00 C ATOM 1029 CG PHE A 73 -5.398 4.589 7.477 1.00 0.00 C ATOM 1030 CD1 PHE A 73 -5.533 4.383 8.838 1.00 0.00 C ATOM 1031 CD2 PHE A 73 -6.491 5.034 6.758 1.00 0.00 C ATOM 1032 CE1 PHE A 73 -6.738 4.619 9.466 1.00 0.00 C ATOM 1033 CE2 PHE A 73 -7.696 5.271 7.386 1.00 0.00 C ATOM 1034 CZ PHE A 73 -7.820 5.063 8.741 1.00 0.00 C ATOM 0 H PHE A 73 -2.661 3.602 4.799 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.734 2.248 7.264 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -3.239 4.628 7.412 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.002 4.952 5.868 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.688 4.035 9.414 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -6.401 5.198 5.694 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -6.833 4.455 10.529 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -8.543 5.620 6.814 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.763 5.248 9.233 1.00 0.00 H new ATOM 1044 N ILE A 74 -5.682 1.197 6.208 1.00 0.00 N ATOM 1045 CA ILE A 74 -6.883 0.543 5.588 1.00 0.00 C ATOM 1046 C ILE A 74 -7.959 0.383 6.668 1.00 0.00 C ATOM 1047 O ILE A 74 -7.695 -0.142 7.731 1.00 0.00 O ATOM 1048 CB ILE A 74 -6.485 -0.852 5.019 1.00 0.00 C ATOM 1049 CG1 ILE A 74 -5.233 -0.681 4.104 1.00 0.00 C ATOM 1050 CG2 ILE A 74 -7.676 -1.402 4.186 1.00 0.00 C ATOM 1051 CD1 ILE A 74 -4.803 -2.015 3.473 1.00 0.00 C ATOM 0 H ILE A 74 -5.362 0.766 7.075 1.00 0.00 H new ATOM 0 HA ILE A 74 -7.266 1.155 4.772 1.00 0.00 H new ATOM 0 HB ILE A 74 -6.251 -1.546 5.826 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.454 0.040 3.316 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.408 -0.272 4.688 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.415 -2.379 3.779 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -8.554 -1.498 4.825 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -7.896 -0.716 3.368 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -3.928 -1.854 2.843 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.557 -2.727 4.260 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.618 -2.411 2.867 1.00 0.00 H new ATOM 1063 N GLN A 75 -9.142 0.843 6.354 1.00 0.00 N ATOM 1064 CA GLN A 75 -10.300 0.772 7.291 1.00 0.00 C ATOM 1065 C GLN A 75 -10.971 -0.618 7.368 1.00 0.00 C ATOM 1066 O GLN A 75 -12.023 -0.748 7.960 1.00 0.00 O ATOM 1067 CB GLN A 75 -11.302 1.838 6.834 1.00 0.00 C ATOM 1068 CG GLN A 75 -10.593 3.210 6.723 1.00 0.00 C ATOM 1069 CD GLN A 75 -9.806 3.368 5.407 1.00 0.00 C ATOM 1070 OE1 GLN A 75 -10.375 3.576 4.355 1.00 0.00 O ATOM 1071 NE2 GLN A 75 -8.504 3.278 5.411 1.00 0.00 N ATOM 0 H GLN A 75 -9.358 1.279 5.457 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.940 0.953 8.304 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.729 1.560 5.870 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.128 1.901 7.542 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.335 4.005 6.795 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.912 3.332 7.566 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -8.008 3.104 6.285 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -7.983 3.382 4.540 1.00 0.00 H new ATOM 1080 N CYS A 76 -10.318 -1.584 6.766 1.00 0.00 N ATOM 1081 CA CYS A 76 -10.745 -3.029 6.676 1.00 0.00 C ATOM 1082 C CYS A 76 -12.269 -3.330 6.716 1.00 0.00 C ATOM 1083 O CYS A 76 -12.878 -3.219 7.767 1.00 0.00 O ATOM 1084 CB CYS A 76 -10.057 -3.835 7.807 1.00 0.00 C ATOM 1085 SG CYS A 76 -10.597 -3.715 9.531 1.00 0.00 S ATOM 1086 OXT CYS A 76 -12.760 -3.671 5.653 1.00 0.00 O ATOM 0 H CYS A 76 -9.430 -1.414 6.293 1.00 0.00 H new ATOM 0 HA CYS A 76 -10.433 -3.328 5.675 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -10.123 -4.887 7.529 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -9.001 -3.566 7.788 1.00 0.00 H new TER 1091 CYS A 76