USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 827 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 2 GLN : amide:sc= 0.388 K(o=0.42,f=-1.1!) USER MOD Set 1.2: A 99 HIS : no HD1:sc= 0.0294 K(o=0.42,f=-9.8!) USER MOD Set 2.1: A 32 LYS NZ :NH3+ -161:sc= 0 (180deg=0) USER MOD Set 2.2: A 35 ASN : amide:sc= -6.98! C(o=-7!,f=-12!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.128) USER MOD Single : A 11 HIS : no HD1:sc= -0.709 K(o=-0.71,f=-0.015) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0334 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 24 MET CE :methyl 138:sc= -3.03! (180deg=-3.3!) USER MOD Single : A 26 THR OG1 : rot -148:sc= -1.03 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= -0.182 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 49:sc= 0.0594 USER MOD Single : A 60 SER OG : rot 66:sc= -2.25 USER MOD Single : A 61 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -2.31 K(o=-2.3,f=0.013!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0936) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot -30:sc= -1.94 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0191) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot -23:sc= 0.445 USER MOD Single : A 85 SER OG : rot 41:sc= 0.0991 USER MOD Single : A 86 ASN : amide:sc= -2.02 K(o=-2,f=-0.41) USER MOD Single : A 89 CYS SG : rot 180:sc= -0.678 USER MOD Single : A 94 HIS : no HD1:sc= -0.129 X(o=-0.13,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 -5.323 11.918 1.157 1.00 0.00 N ATOM 21 CA GLN A 2 -5.504 10.462 1.450 1.00 0.00 C ATOM 22 C GLN A 2 -6.641 9.907 0.578 1.00 0.00 C ATOM 23 O GLN A 2 -7.796 9.877 0.981 1.00 0.00 O ATOM 24 CB GLN A 2 -5.840 10.276 2.937 1.00 0.00 C ATOM 25 CG GLN A 2 -4.639 10.689 3.793 1.00 0.00 C ATOM 26 CD GLN A 2 -5.124 11.469 5.018 1.00 0.00 C ATOM 27 OE1 GLN A 2 -5.266 10.914 6.089 1.00 0.00 O ATOM 28 NE2 GLN A 2 -5.388 12.741 4.900 1.00 0.00 N ATOM 0 HA GLN A 2 -4.584 9.923 1.225 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -6.711 10.876 3.201 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -6.099 9.236 3.134 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -4.084 9.806 4.108 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -3.955 11.302 3.206 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -5.268 13.205 4.000 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -5.714 13.271 5.708 1.00 0.00 H new ATOM 37 N ASP A 3 -6.308 9.474 -0.620 1.00 0.00 N ATOM 38 CA ASP A 3 -7.337 8.916 -1.553 1.00 0.00 C ATOM 39 C ASP A 3 -6.747 7.732 -2.324 1.00 0.00 C ATOM 40 O ASP A 3 -5.651 7.280 -2.035 1.00 0.00 O ATOM 41 CB ASP A 3 -7.773 10.008 -2.538 1.00 0.00 C ATOM 42 CG ASP A 3 -9.104 10.607 -2.080 1.00 0.00 C ATOM 43 OD1 ASP A 3 -9.181 11.020 -0.935 1.00 0.00 O ATOM 44 OD2 ASP A 3 -10.024 10.640 -2.881 1.00 0.00 O ATOM 0 H ASP A 3 -5.358 9.485 -0.991 1.00 0.00 H new ATOM 0 HA ASP A 3 -8.200 8.575 -0.981 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -7.012 10.786 -2.594 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -7.876 9.589 -3.539 1.00 0.00 H new ATOM 49 N TRP A 4 -7.477 7.233 -3.305 1.00 0.00 N ATOM 50 CA TRP A 4 -6.997 6.072 -4.129 1.00 0.00 C ATOM 51 C TRP A 4 -5.583 6.354 -4.651 1.00 0.00 C ATOM 52 O TRP A 4 -4.659 5.619 -4.375 1.00 0.00 O ATOM 53 CB TRP A 4 -7.947 5.864 -5.328 1.00 0.00 C ATOM 54 CG TRP A 4 -8.303 4.412 -5.471 1.00 0.00 C ATOM 55 CD1 TRP A 4 -9.565 3.929 -5.527 1.00 0.00 C ATOM 56 CD2 TRP A 4 -7.420 3.254 -5.592 1.00 0.00 C ATOM 57 NE1 TRP A 4 -9.517 2.554 -5.645 1.00 0.00 N ATOM 58 CE2 TRP A 4 -8.219 2.089 -5.690 1.00 0.00 C ATOM 59 CE3 TRP A 4 -6.023 3.099 -5.613 1.00 0.00 C ATOM 60 CZ2 TRP A 4 -7.650 0.819 -5.806 1.00 0.00 C ATOM 61 CZ3 TRP A 4 -5.448 1.823 -5.733 1.00 0.00 C ATOM 62 CH2 TRP A 4 -6.261 0.687 -5.826 1.00 0.00 C ATOM 0 H TRP A 4 -8.396 7.588 -3.570 1.00 0.00 H new ATOM 0 HA TRP A 4 -6.983 5.176 -3.509 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -8.853 6.455 -5.189 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -7.472 6.220 -6.242 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -10.466 4.523 -5.486 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -10.341 1.955 -5.693 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -5.387 3.968 -5.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -8.280 -0.055 -5.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -4.373 1.718 -5.754 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -5.813 -0.292 -5.913 1.00 0.00 H new ATOM 73 N ALA A 5 -5.430 7.422 -5.406 1.00 0.00 N ATOM 74 CA ALA A 5 -4.095 7.806 -5.996 1.00 0.00 C ATOM 75 C ALA A 5 -2.953 7.623 -4.987 1.00 0.00 C ATOM 76 O ALA A 5 -1.884 7.136 -5.337 1.00 0.00 O ATOM 77 CB ALA A 5 -4.149 9.272 -6.430 1.00 0.00 C ATOM 0 H ALA A 5 -6.190 8.059 -5.645 1.00 0.00 H new ATOM 0 HA ALA A 5 -3.899 7.155 -6.848 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -3.189 9.560 -6.858 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.933 9.402 -7.176 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.364 9.900 -5.565 1.00 0.00 H new ATOM 83 N THR A 6 -3.176 8.001 -3.747 1.00 0.00 N ATOM 84 CA THR A 6 -2.115 7.855 -2.703 1.00 0.00 C ATOM 85 C THR A 6 -1.978 6.378 -2.347 1.00 0.00 C ATOM 86 O THR A 6 -0.883 5.848 -2.286 1.00 0.00 O ATOM 87 CB THR A 6 -2.500 8.655 -1.454 1.00 0.00 C ATOM 88 OG1 THR A 6 -3.101 9.885 -1.841 1.00 0.00 O ATOM 89 CG2 THR A 6 -1.250 8.941 -0.621 1.00 0.00 C ATOM 0 H THR A 6 -4.052 8.405 -3.415 1.00 0.00 H new ATOM 0 HA THR A 6 -1.167 8.234 -3.084 1.00 0.00 H new ATOM 0 HB THR A 6 -3.207 8.076 -0.861 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.348 10.394 -1.041 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.527 9.510 0.267 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.790 8.000 -0.320 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.541 9.517 -1.215 1.00 0.00 H new ATOM 97 N PHE A 7 -3.093 5.723 -2.124 1.00 0.00 N ATOM 98 CA PHE A 7 -3.087 4.269 -1.774 1.00 0.00 C ATOM 99 C PHE A 7 -2.507 3.462 -2.944 1.00 0.00 C ATOM 100 O PHE A 7 -1.962 2.389 -2.743 1.00 0.00 O ATOM 101 CB PHE A 7 -4.529 3.829 -1.503 1.00 0.00 C ATOM 102 CG PHE A 7 -4.566 2.376 -1.092 1.00 0.00 C ATOM 103 CD1 PHE A 7 -4.144 1.992 0.186 1.00 0.00 C ATOM 104 CD2 PHE A 7 -5.031 1.413 -1.995 1.00 0.00 C ATOM 105 CE1 PHE A 7 -4.190 0.643 0.561 1.00 0.00 C ATOM 106 CE2 PHE A 7 -5.079 0.066 -1.621 1.00 0.00 C ATOM 107 CZ PHE A 7 -4.656 -0.320 -0.343 1.00 0.00 C ATOM 0 H PHE A 7 -4.021 6.143 -2.171 1.00 0.00 H new ATOM 0 HA PHE A 7 -2.474 4.097 -0.889 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -4.963 4.447 -0.717 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.135 3.977 -2.397 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.783 2.735 0.882 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -5.353 1.710 -2.982 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.866 0.346 1.547 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.442 -0.676 -2.317 1.00 0.00 H new ATOM 0 HZ PHE A 7 -4.689 -1.360 -0.054 1.00 0.00 H new ATOM 117 N LYS A 8 -2.621 3.972 -4.156 1.00 0.00 N ATOM 118 CA LYS A 8 -2.079 3.250 -5.349 1.00 0.00 C ATOM 119 C LYS A 8 -0.555 3.240 -5.264 1.00 0.00 C ATOM 120 O LYS A 8 0.076 2.205 -5.411 1.00 0.00 O ATOM 121 CB LYS A 8 -2.514 3.968 -6.628 1.00 0.00 C ATOM 122 CG LYS A 8 -2.595 2.961 -7.779 1.00 0.00 C ATOM 123 CD LYS A 8 -1.273 2.958 -8.554 1.00 0.00 C ATOM 124 CE LYS A 8 -1.511 2.461 -9.986 1.00 0.00 C ATOM 125 NZ LYS A 8 -1.441 3.612 -10.930 1.00 0.00 N ATOM 0 H LYS A 8 -3.070 4.864 -4.365 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.459 2.229 -5.367 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.483 4.444 -6.479 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.805 4.759 -6.872 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.802 1.964 -7.389 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.418 3.220 -8.445 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.850 3.962 -8.573 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.548 2.317 -8.052 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.764 1.713 -10.252 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.485 1.977 -10.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.602 3.275 -11.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.170 4.311 -10.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.502 4.055 -10.869 1.00 0.00 H new ATOM 139 N LYS A 9 0.029 4.393 -5.015 1.00 0.00 N ATOM 140 CA LYS A 9 1.518 4.498 -4.903 1.00 0.00 C ATOM 141 C LYS A 9 1.981 3.924 -3.559 1.00 0.00 C ATOM 142 O LYS A 9 3.129 3.549 -3.410 1.00 0.00 O ATOM 143 CB LYS A 9 1.934 5.969 -4.974 1.00 0.00 C ATOM 144 CG LYS A 9 1.354 6.619 -6.232 1.00 0.00 C ATOM 145 CD LYS A 9 2.347 6.470 -7.385 1.00 0.00 C ATOM 146 CE LYS A 9 1.595 6.558 -8.713 1.00 0.00 C ATOM 147 NZ LYS A 9 2.447 6.009 -9.804 1.00 0.00 N ATOM 0 H LYS A 9 -0.471 5.273 -4.884 1.00 0.00 H new ATOM 0 HA LYS A 9 1.973 3.939 -5.720 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.583 6.497 -4.087 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.021 6.048 -4.983 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.405 6.150 -6.492 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.149 7.674 -6.048 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.105 7.251 -7.331 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.867 5.515 -7.311 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.660 6.000 -8.651 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.334 7.594 -8.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.935 6.069 -10.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.327 6.559 -9.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.674 5.015 -9.600 1.00 0.00 H new ATOM 161 N LYS A 10 1.102 3.895 -2.579 1.00 0.00 N ATOM 162 CA LYS A 10 1.465 3.392 -1.216 1.00 0.00 C ATOM 163 C LYS A 10 1.335 1.867 -1.085 1.00 0.00 C ATOM 164 O LYS A 10 2.250 1.216 -0.606 1.00 0.00 O ATOM 165 CB LYS A 10 0.546 4.063 -0.186 1.00 0.00 C ATOM 166 CG LYS A 10 1.276 5.232 0.483 1.00 0.00 C ATOM 167 CD LYS A 10 1.252 6.453 -0.439 1.00 0.00 C ATOM 168 CE LYS A 10 2.198 7.522 0.107 1.00 0.00 C ATOM 169 NZ LYS A 10 1.667 8.042 1.398 1.00 0.00 N ATOM 0 H LYS A 10 0.134 4.204 -2.671 1.00 0.00 H new ATOM 0 HA LYS A 10 2.512 3.640 -1.042 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.361 4.421 -0.674 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.238 3.337 0.567 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.801 5.473 1.434 1.00 0.00 H new ATOM 0 HG3 LYS A 10 2.306 4.951 0.704 1.00 0.00 H new ATOM 0 HD2 LYS A 10 1.552 6.167 -1.447 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.239 6.850 -0.509 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.193 7.102 0.254 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.298 8.336 -0.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.201 8.890 1.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.662 8.286 1.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.767 7.313 2.133 1.00 0.00 H new ATOM 183 N HIS A 11 0.189 1.307 -1.425 1.00 0.00 N ATOM 184 CA HIS A 11 -0.021 -0.170 -1.229 1.00 0.00 C ATOM 185 C HIS A 11 -0.246 -0.928 -2.546 1.00 0.00 C ATOM 186 O HIS A 11 -0.661 -2.077 -2.511 1.00 0.00 O ATOM 187 CB HIS A 11 -1.250 -0.370 -0.336 1.00 0.00 C ATOM 188 CG HIS A 11 -0.876 -0.203 1.115 1.00 0.00 C ATOM 189 ND1 HIS A 11 -1.551 -0.870 2.127 1.00 0.00 N ATOM 190 CD2 HIS A 11 0.083 0.554 1.743 1.00 0.00 C ATOM 191 CE1 HIS A 11 -0.993 -0.506 3.296 1.00 0.00 C ATOM 192 NE2 HIS A 11 0.007 0.361 3.118 1.00 0.00 N ATOM 0 H HIS A 11 -0.604 1.807 -1.827 1.00 0.00 H new ATOM 0 HA HIS A 11 0.885 -0.571 -0.775 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -2.024 0.349 -0.604 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -1.668 -1.363 -0.499 1.00 0.00 H new ATOM 0 HD2 HIS A 11 0.789 1.201 1.244 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -1.315 -0.870 4.260 1.00 0.00 H new ATOM 0 HE2 HIS A 11 0.590 0.790 3.837 1.00 0.00 H new ATOM 200 N LEU A 12 0.010 -0.330 -3.693 1.00 0.00 N ATOM 201 CA LEU A 12 -0.216 -1.075 -4.978 1.00 0.00 C ATOM 202 C LEU A 12 0.924 -0.847 -5.966 1.00 0.00 C ATOM 203 O LEU A 12 1.522 0.214 -6.013 1.00 0.00 O ATOM 204 CB LEU A 12 -1.532 -0.627 -5.613 1.00 0.00 C ATOM 205 CG LEU A 12 -2.680 -1.493 -5.079 1.00 0.00 C ATOM 206 CD1 LEU A 12 -3.446 -0.726 -4.000 1.00 0.00 C ATOM 207 CD2 LEU A 12 -3.636 -1.848 -6.222 1.00 0.00 C ATOM 0 H LEU A 12 0.359 0.623 -3.793 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.257 -2.138 -4.743 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.719 0.423 -5.386 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.472 -0.713 -6.698 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.267 -2.407 -4.653 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.261 -1.344 -3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.771 -0.477 -3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.853 0.191 -4.425 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.450 -2.463 -5.838 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.044 -0.933 -6.652 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.095 -2.400 -6.990 1.00 0.00 H new ATOM 219 N THR A 13 1.199 -1.855 -6.766 1.00 0.00 N ATOM 220 CA THR A 13 2.283 -1.763 -7.801 1.00 0.00 C ATOM 221 C THR A 13 1.922 -2.667 -8.983 1.00 0.00 C ATOM 222 O THR A 13 1.060 -3.525 -8.872 1.00 0.00 O ATOM 223 CB THR A 13 3.634 -2.209 -7.220 1.00 0.00 C ATOM 224 OG1 THR A 13 3.431 -3.145 -6.167 1.00 0.00 O ATOM 225 CG2 THR A 13 4.391 -0.992 -6.686 1.00 0.00 C ATOM 0 H THR A 13 0.710 -2.750 -6.744 1.00 0.00 H new ATOM 0 HA THR A 13 2.369 -0.726 -8.126 1.00 0.00 H new ATOM 0 HB THR A 13 4.218 -2.684 -8.008 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.298 -3.424 -5.805 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.349 -1.311 -6.275 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.562 -0.285 -7.498 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.802 -0.511 -5.905 1.00 0.00 H new ATOM 233 N ASP A 14 2.580 -2.478 -10.107 1.00 0.00 N ATOM 234 CA ASP A 14 2.298 -3.312 -11.318 1.00 0.00 C ATOM 235 C ASP A 14 3.492 -4.238 -11.600 1.00 0.00 C ATOM 236 O ASP A 14 3.701 -4.673 -12.722 1.00 0.00 O ATOM 237 CB ASP A 14 2.058 -2.390 -12.515 1.00 0.00 C ATOM 238 CG ASP A 14 0.832 -1.517 -12.244 1.00 0.00 C ATOM 239 OD1 ASP A 14 -0.268 -1.976 -12.507 1.00 0.00 O ATOM 240 OD2 ASP A 14 1.013 -0.405 -11.777 1.00 0.00 O ATOM 0 H ASP A 14 3.307 -1.774 -10.235 1.00 0.00 H new ATOM 0 HA ASP A 14 1.412 -3.923 -11.146 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.933 -1.764 -12.687 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.906 -2.980 -13.418 1.00 0.00 H new ATOM 245 N THR A 15 4.265 -4.538 -10.578 1.00 0.00 N ATOM 246 CA THR A 15 5.453 -5.434 -10.738 1.00 0.00 C ATOM 247 C THR A 15 5.964 -5.826 -9.350 1.00 0.00 C ATOM 248 O THR A 15 5.692 -5.145 -8.375 1.00 0.00 O ATOM 249 CB THR A 15 6.552 -4.687 -11.503 1.00 0.00 C ATOM 250 OG1 THR A 15 7.734 -5.477 -11.533 1.00 0.00 O ATOM 251 CG2 THR A 15 6.840 -3.355 -10.809 1.00 0.00 C ATOM 0 H THR A 15 4.118 -4.194 -9.629 1.00 0.00 H new ATOM 0 HA THR A 15 5.176 -6.330 -11.294 1.00 0.00 H new ATOM 0 HB THR A 15 6.220 -4.499 -12.524 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.435 -4.999 -12.024 1.00 0.00 H new ATOM 0 HG21 THR A 15 7.621 -2.823 -11.352 1.00 0.00 H new ATOM 0 HG22 THR A 15 5.933 -2.750 -10.792 1.00 0.00 H new ATOM 0 HG23 THR A 15 7.171 -3.541 -9.787 1.00 0.00 H new ATOM 259 N TRP A 16 6.702 -6.915 -9.261 1.00 0.00 N ATOM 260 CA TRP A 16 7.242 -7.366 -7.939 1.00 0.00 C ATOM 261 C TRP A 16 8.343 -6.398 -7.498 1.00 0.00 C ATOM 262 O TRP A 16 8.488 -6.110 -6.321 1.00 0.00 O ATOM 263 CB TRP A 16 7.821 -8.780 -8.067 1.00 0.00 C ATOM 264 CG TRP A 16 7.595 -9.546 -6.793 1.00 0.00 C ATOM 265 CD1 TRP A 16 7.678 -9.035 -5.539 1.00 0.00 C ATOM 266 CD2 TRP A 16 7.252 -10.953 -6.634 1.00 0.00 C ATOM 267 NE1 TRP A 16 7.398 -10.037 -4.627 1.00 0.00 N ATOM 268 CE2 TRP A 16 7.133 -11.238 -5.253 1.00 0.00 C ATOM 269 CE3 TRP A 16 7.033 -12.001 -7.546 1.00 0.00 C ATOM 270 CZ2 TRP A 16 6.806 -12.515 -4.794 1.00 0.00 C ATOM 271 CZ3 TRP A 16 6.704 -13.287 -7.088 1.00 0.00 C ATOM 272 CH2 TRP A 16 6.592 -13.544 -5.715 1.00 0.00 C ATOM 0 H TRP A 16 6.952 -7.509 -10.052 1.00 0.00 H new ATOM 0 HA TRP A 16 6.440 -7.378 -7.201 1.00 0.00 H new ATOM 0 HB2 TRP A 16 7.351 -9.300 -8.902 1.00 0.00 H new ATOM 0 HB3 TRP A 16 8.888 -8.727 -8.285 1.00 0.00 H new ATOM 0 HD1 TRP A 16 7.923 -8.012 -5.293 1.00 0.00 H new ATOM 0 HE1 TRP A 16 7.389 -9.904 -3.616 1.00 0.00 H new ATOM 0 HE3 TRP A 16 7.119 -11.815 -8.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 6.719 -12.706 -3.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 6.536 -14.083 -7.798 1.00 0.00 H new ATOM 0 HH2 TRP A 16 6.341 -14.536 -5.369 1.00 0.00 H new ATOM 283 N ASP A 17 9.104 -5.892 -8.446 1.00 0.00 N ATOM 284 CA ASP A 17 10.200 -4.925 -8.124 1.00 0.00 C ATOM 285 C ASP A 17 9.602 -3.525 -7.986 1.00 0.00 C ATOM 286 O ASP A 17 8.935 -3.043 -8.886 1.00 0.00 O ATOM 287 CB ASP A 17 11.236 -4.929 -9.250 1.00 0.00 C ATOM 288 CG ASP A 17 12.224 -6.078 -9.030 1.00 0.00 C ATOM 289 OD1 ASP A 17 11.792 -7.218 -9.057 1.00 0.00 O ATOM 290 OD2 ASP A 17 13.396 -5.797 -8.842 1.00 0.00 O ATOM 0 H ASP A 17 9.008 -6.112 -9.437 1.00 0.00 H new ATOM 0 HA ASP A 17 10.684 -5.215 -7.191 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.740 -5.041 -10.214 1.00 0.00 H new ATOM 0 HB3 ASP A 17 11.767 -3.978 -9.273 1.00 0.00 H new ATOM 295 N VAL A 18 9.832 -2.882 -6.861 1.00 0.00 N ATOM 296 CA VAL A 18 9.278 -1.511 -6.628 1.00 0.00 C ATOM 297 C VAL A 18 10.423 -0.501 -6.499 1.00 0.00 C ATOM 298 O VAL A 18 11.507 -0.832 -6.047 1.00 0.00 O ATOM 299 CB VAL A 18 8.446 -1.525 -5.339 1.00 0.00 C ATOM 300 CG1 VAL A 18 7.904 -0.122 -5.036 1.00 0.00 C ATOM 301 CG2 VAL A 18 7.272 -2.486 -5.518 1.00 0.00 C ATOM 0 H VAL A 18 10.385 -3.255 -6.089 1.00 0.00 H new ATOM 0 HA VAL A 18 8.649 -1.220 -7.469 1.00 0.00 H new ATOM 0 HB VAL A 18 9.078 -1.846 -4.511 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.316 -0.149 -4.119 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.736 0.571 -4.913 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.274 0.211 -5.861 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.674 -2.503 -4.607 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.654 -2.154 -6.352 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.650 -3.488 -5.723 1.00 0.00 H new ATOM 311 N ASP A 19 10.165 0.729 -6.886 1.00 0.00 N ATOM 312 CA ASP A 19 11.198 1.806 -6.793 1.00 0.00 C ATOM 313 C ASP A 19 10.983 2.579 -5.487 1.00 0.00 C ATOM 314 O ASP A 19 10.129 3.447 -5.404 1.00 0.00 O ATOM 315 CB ASP A 19 11.063 2.750 -7.992 1.00 0.00 C ATOM 316 CG ASP A 19 11.724 2.114 -9.216 1.00 0.00 C ATOM 317 OD1 ASP A 19 11.039 1.399 -9.930 1.00 0.00 O ATOM 318 OD2 ASP A 19 12.904 2.348 -9.417 1.00 0.00 O ATOM 0 H ASP A 19 9.269 1.033 -7.267 1.00 0.00 H new ATOM 0 HA ASP A 19 12.197 1.371 -6.801 1.00 0.00 H new ATOM 0 HB2 ASP A 19 10.011 2.949 -8.195 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.531 3.709 -7.769 1.00 0.00 H new ATOM 323 N CYS A 20 11.741 2.238 -4.467 1.00 0.00 N ATOM 324 CA CYS A 20 11.599 2.904 -3.135 1.00 0.00 C ATOM 325 C CYS A 20 12.664 3.995 -2.959 1.00 0.00 C ATOM 326 O CYS A 20 12.400 5.031 -2.376 1.00 0.00 O ATOM 327 CB CYS A 20 11.762 1.844 -2.040 1.00 0.00 C ATOM 328 SG CYS A 20 10.145 1.129 -1.647 1.00 0.00 S ATOM 0 H CYS A 20 12.461 1.516 -4.505 1.00 0.00 H new ATOM 0 HA CYS A 20 10.617 3.371 -3.068 1.00 0.00 H new ATOM 0 HB2 CYS A 20 12.445 1.063 -2.374 1.00 0.00 H new ATOM 0 HB3 CYS A 20 12.200 2.292 -1.148 1.00 0.00 H new ATOM 333 N ASP A 21 13.864 3.755 -3.444 1.00 0.00 N ATOM 334 CA ASP A 21 14.975 4.755 -3.300 1.00 0.00 C ATOM 335 C ASP A 21 14.703 6.022 -4.128 1.00 0.00 C ATOM 336 O ASP A 21 15.353 7.036 -3.926 1.00 0.00 O ATOM 337 CB ASP A 21 16.284 4.122 -3.774 1.00 0.00 C ATOM 338 CG ASP A 21 16.686 2.999 -2.817 1.00 0.00 C ATOM 339 OD1 ASP A 21 17.024 3.304 -1.685 1.00 0.00 O ATOM 340 OD2 ASP A 21 16.650 1.852 -3.231 1.00 0.00 O ATOM 0 H ASP A 21 14.122 2.901 -3.938 1.00 0.00 H new ATOM 0 HA ASP A 21 15.043 5.040 -2.250 1.00 0.00 H new ATOM 0 HB2 ASP A 21 16.165 3.728 -4.783 1.00 0.00 H new ATOM 0 HB3 ASP A 21 17.070 4.876 -3.817 1.00 0.00 H new ATOM 345 N ASN A 22 13.772 5.970 -5.063 1.00 0.00 N ATOM 346 CA ASN A 22 13.478 7.168 -5.920 1.00 0.00 C ATOM 347 C ASN A 22 12.255 7.927 -5.394 1.00 0.00 C ATOM 348 O ASN A 22 12.235 9.147 -5.391 1.00 0.00 O ATOM 349 CB ASN A 22 13.212 6.710 -7.355 1.00 0.00 C ATOM 350 CG ASN A 22 13.754 7.751 -8.334 1.00 0.00 C ATOM 351 OD1 ASN A 22 13.353 8.897 -8.303 1.00 0.00 O ATOM 352 ND2 ASN A 22 14.656 7.399 -9.210 1.00 0.00 N ATOM 0 H ASN A 22 13.205 5.147 -5.267 1.00 0.00 H new ATOM 0 HA ASN A 22 14.339 7.836 -5.893 1.00 0.00 H new ATOM 0 HB2 ASN A 22 13.688 5.746 -7.534 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.142 6.572 -7.511 1.00 0.00 H new ATOM 0 HD21 ASN A 22 15.024 8.086 -9.868 1.00 0.00 H new ATOM 0 HD22 ASN A 22 14.993 6.437 -9.236 1.00 0.00 H new ATOM 359 N LEU A 23 11.239 7.211 -4.966 1.00 0.00 N ATOM 360 CA LEU A 23 9.991 7.864 -4.448 1.00 0.00 C ATOM 361 C LEU A 23 10.131 8.197 -2.959 1.00 0.00 C ATOM 362 O LEU A 23 9.466 9.090 -2.460 1.00 0.00 O ATOM 363 CB LEU A 23 8.813 6.905 -4.644 1.00 0.00 C ATOM 364 CG LEU A 23 8.300 6.997 -6.084 1.00 0.00 C ATOM 365 CD1 LEU A 23 9.403 6.572 -7.060 1.00 0.00 C ATOM 366 CD2 LEU A 23 7.097 6.068 -6.248 1.00 0.00 C ATOM 0 H LEU A 23 11.222 6.191 -4.954 1.00 0.00 H new ATOM 0 HA LEU A 23 9.822 8.791 -4.996 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.124 5.884 -4.424 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.012 7.152 -3.947 1.00 0.00 H new ATOM 0 HG LEU A 23 8.009 8.025 -6.298 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.030 6.640 -8.082 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.265 7.229 -6.943 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.699 5.544 -6.849 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.727 6.129 -7.271 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.397 5.043 -6.031 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.308 6.369 -5.559 1.00 0.00 H new ATOM 378 N MET A 24 10.972 7.473 -2.255 1.00 0.00 N ATOM 379 CA MET A 24 11.155 7.711 -0.787 1.00 0.00 C ATOM 380 C MET A 24 11.559 9.178 -0.495 1.00 0.00 C ATOM 381 O MET A 24 10.965 9.777 0.383 1.00 0.00 O ATOM 382 CB MET A 24 12.207 6.726 -0.240 1.00 0.00 C ATOM 383 CG MET A 24 12.500 7.002 1.243 1.00 0.00 C ATOM 384 SD MET A 24 13.957 6.058 1.752 1.00 0.00 S ATOM 385 CE MET A 24 15.150 6.886 0.670 1.00 0.00 C ATOM 0 H MET A 24 11.544 6.721 -2.639 1.00 0.00 H new ATOM 0 HA MET A 24 10.205 7.539 -0.282 1.00 0.00 H new ATOM 0 HB2 MET A 24 11.850 5.703 -0.360 1.00 0.00 H new ATOM 0 HB3 MET A 24 13.127 6.812 -0.818 1.00 0.00 H new ATOM 0 HG2 MET A 24 12.670 8.067 1.400 1.00 0.00 H new ATOM 0 HG3 MET A 24 11.641 6.723 1.853 1.00 0.00 H new ATOM 0 HE1 MET A 24 16.073 7.069 1.219 1.00 0.00 H new ATOM 0 HE2 MET A 24 15.360 6.253 -0.192 1.00 0.00 H new ATOM 0 HE3 MET A 24 14.736 7.835 0.331 1.00 0.00 H new ATOM 395 N PRO A 25 12.552 9.722 -1.194 1.00 0.00 N ATOM 396 CA PRO A 25 13.008 11.108 -0.941 1.00 0.00 C ATOM 397 C PRO A 25 12.065 12.154 -1.560 1.00 0.00 C ATOM 398 O PRO A 25 12.332 13.342 -1.470 1.00 0.00 O ATOM 399 CB PRO A 25 14.383 11.170 -1.607 1.00 0.00 C ATOM 400 CG PRO A 25 14.404 10.051 -2.673 1.00 0.00 C ATOM 401 CD PRO A 25 13.308 9.043 -2.278 1.00 0.00 C ATOM 0 HA PRO A 25 13.031 11.336 0.125 1.00 0.00 H new ATOM 0 HB2 PRO A 25 14.549 12.145 -2.065 1.00 0.00 H new ATOM 0 HB3 PRO A 25 15.176 11.023 -0.874 1.00 0.00 H new ATOM 0 HG2 PRO A 25 14.215 10.459 -3.666 1.00 0.00 H new ATOM 0 HG3 PRO A 25 15.380 9.568 -2.707 1.00 0.00 H new ATOM 0 HD2 PRO A 25 12.663 8.806 -3.124 1.00 0.00 H new ATOM 0 HD3 PRO A 25 13.739 8.103 -1.933 1.00 0.00 H new ATOM 409 N THR A 26 10.976 11.732 -2.178 1.00 0.00 N ATOM 410 CA THR A 26 10.024 12.712 -2.795 1.00 0.00 C ATOM 411 C THR A 26 9.052 13.216 -1.726 1.00 0.00 C ATOM 412 O THR A 26 9.148 12.852 -0.564 1.00 0.00 O ATOM 413 CB THR A 26 9.224 12.056 -3.935 1.00 0.00 C ATOM 414 OG1 THR A 26 9.940 10.946 -4.466 1.00 0.00 O ATOM 415 CG2 THR A 26 8.978 13.078 -5.052 1.00 0.00 C ATOM 0 H THR A 26 10.711 10.752 -2.279 1.00 0.00 H new ATOM 0 HA THR A 26 10.599 13.543 -3.204 1.00 0.00 H new ATOM 0 HB THR A 26 8.270 11.710 -3.536 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.742 10.856 -5.421 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.412 12.609 -5.856 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.414 13.922 -4.655 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.934 13.431 -5.439 1.00 0.00 H new ATOM 423 N SER A 27 8.120 14.048 -2.126 1.00 0.00 N ATOM 424 CA SER A 27 7.109 14.605 -1.168 1.00 0.00 C ATOM 425 C SER A 27 5.961 13.606 -0.961 1.00 0.00 C ATOM 426 O SER A 27 5.158 13.772 -0.057 1.00 0.00 O ATOM 427 CB SER A 27 6.547 15.910 -1.729 1.00 0.00 C ATOM 428 OG SER A 27 5.989 15.667 -3.013 1.00 0.00 O ATOM 0 H SER A 27 8.015 14.370 -3.088 1.00 0.00 H new ATOM 0 HA SER A 27 7.595 14.789 -0.210 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.786 16.310 -1.059 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.336 16.659 -1.798 1.00 0.00 H new ATOM 0 HG SER A 27 5.626 16.502 -3.375 1.00 0.00 H new ATOM 434 N LEU A 28 5.879 12.579 -1.789 1.00 0.00 N ATOM 435 CA LEU A 28 4.787 11.563 -1.656 1.00 0.00 C ATOM 436 C LEU A 28 5.117 10.617 -0.503 1.00 0.00 C ATOM 437 O LEU A 28 4.230 10.125 0.177 1.00 0.00 O ATOM 438 CB LEU A 28 4.675 10.764 -2.959 1.00 0.00 C ATOM 439 CG LEU A 28 3.497 9.792 -2.870 1.00 0.00 C ATOM 440 CD1 LEU A 28 2.186 10.552 -3.070 1.00 0.00 C ATOM 441 CD2 LEU A 28 3.633 8.725 -3.959 1.00 0.00 C ATOM 0 H LEU A 28 6.530 12.406 -2.555 1.00 0.00 H new ATOM 0 HA LEU A 28 3.840 12.065 -1.456 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.536 11.442 -3.801 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.599 10.215 -3.140 1.00 0.00 H new ATOM 0 HG LEU A 28 3.496 9.317 -1.889 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.349 9.857 -3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.085 11.313 -2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.188 11.029 -4.050 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.794 8.032 -3.896 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.636 9.203 -4.939 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.566 8.179 -3.819 1.00 0.00 H new ATOM 453 N PHE A 29 6.389 10.364 -0.291 1.00 0.00 N ATOM 454 CA PHE A 29 6.816 9.450 0.811 1.00 0.00 C ATOM 455 C PHE A 29 7.551 10.254 1.883 1.00 0.00 C ATOM 456 O PHE A 29 7.489 9.927 3.057 1.00 0.00 O ATOM 457 CB PHE A 29 7.739 8.372 0.242 1.00 0.00 C ATOM 458 CG PHE A 29 6.904 7.221 -0.258 1.00 0.00 C ATOM 459 CD1 PHE A 29 6.305 7.289 -1.522 1.00 0.00 C ATOM 460 CD2 PHE A 29 6.725 6.085 0.540 1.00 0.00 C ATOM 461 CE1 PHE A 29 5.527 6.223 -1.987 1.00 0.00 C ATOM 462 CE2 PHE A 29 5.946 5.018 0.074 1.00 0.00 C ATOM 463 CZ PHE A 29 5.348 5.088 -1.190 1.00 0.00 C ATOM 0 H PHE A 29 7.153 10.757 -0.841 1.00 0.00 H new ATOM 0 HA PHE A 29 5.942 8.976 1.258 1.00 0.00 H new ATOM 0 HB2 PHE A 29 8.339 8.782 -0.570 1.00 0.00 H new ATOM 0 HB3 PHE A 29 8.433 8.028 1.009 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.444 8.165 -2.138 1.00 0.00 H new ATOM 0 HD2 PHE A 29 7.187 6.031 1.515 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.065 6.277 -2.962 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.807 4.142 0.690 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.748 4.265 -1.550 1.00 0.00 H new ATOM 473 N ASP A 30 8.241 11.307 1.484 1.00 0.00 N ATOM 474 CA ASP A 30 8.991 12.167 2.462 1.00 0.00 C ATOM 475 C ASP A 30 9.853 11.287 3.393 1.00 0.00 C ATOM 476 O ASP A 30 10.008 11.569 4.573 1.00 0.00 O ATOM 477 CB ASP A 30 7.978 12.972 3.283 1.00 0.00 C ATOM 478 CG ASP A 30 7.538 14.201 2.486 1.00 0.00 C ATOM 479 OD1 ASP A 30 8.391 15.012 2.167 1.00 0.00 O ATOM 480 OD2 ASP A 30 6.355 14.309 2.208 1.00 0.00 O ATOM 0 H ASP A 30 8.315 11.607 0.512 1.00 0.00 H new ATOM 0 HA ASP A 30 9.653 12.846 1.925 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.114 12.352 3.523 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.423 13.279 4.230 1.00 0.00 H new ATOM 485 N CYS A 31 10.407 10.220 2.852 1.00 0.00 N ATOM 486 CA CYS A 31 11.258 9.288 3.660 1.00 0.00 C ATOM 487 C CYS A 31 10.389 8.622 4.738 1.00 0.00 C ATOM 488 O CYS A 31 10.438 8.969 5.911 1.00 0.00 O ATOM 489 CB CYS A 31 12.423 10.064 4.297 1.00 0.00 C ATOM 490 SG CYS A 31 13.927 9.797 3.324 1.00 0.00 S ATOM 0 H CYS A 31 10.302 9.956 1.872 1.00 0.00 H new ATOM 0 HA CYS A 31 11.677 8.515 3.017 1.00 0.00 H new ATOM 0 HB2 CYS A 31 12.187 11.127 4.338 1.00 0.00 H new ATOM 0 HB3 CYS A 31 12.577 9.732 5.324 1.00 0.00 H new ATOM 495 N LYS A 32 9.584 7.666 4.325 1.00 0.00 N ATOM 496 CA LYS A 32 8.680 6.943 5.277 1.00 0.00 C ATOM 497 C LYS A 32 9.470 5.859 6.022 1.00 0.00 C ATOM 498 O LYS A 32 10.602 5.561 5.679 1.00 0.00 O ATOM 499 CB LYS A 32 7.522 6.302 4.498 1.00 0.00 C ATOM 500 CG LYS A 32 6.271 7.178 4.628 1.00 0.00 C ATOM 501 CD LYS A 32 5.125 6.574 3.807 1.00 0.00 C ATOM 502 CE LYS A 32 4.205 5.767 4.727 1.00 0.00 C ATOM 503 NZ LYS A 32 3.128 5.129 3.918 1.00 0.00 N ATOM 0 H LYS A 32 9.516 7.354 3.356 1.00 0.00 H new ATOM 0 HA LYS A 32 8.278 7.651 6.002 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.793 6.191 3.448 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.320 5.302 4.883 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.978 7.256 5.675 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.486 8.189 4.281 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.560 7.366 3.315 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.525 5.932 3.022 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.778 5.005 5.254 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.768 6.418 5.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.339 4.860 4.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.789 5.801 3.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.503 4.280 3.448 1.00 0.00 H new ATOM 517 N ASP A 33 8.872 5.283 7.046 1.00 0.00 N ATOM 518 CA ASP A 33 9.556 4.217 7.855 1.00 0.00 C ATOM 519 C ASP A 33 9.455 2.863 7.143 1.00 0.00 C ATOM 520 O ASP A 33 10.458 2.255 6.815 1.00 0.00 O ATOM 521 CB ASP A 33 8.891 4.115 9.231 1.00 0.00 C ATOM 522 CG ASP A 33 9.384 5.255 10.124 1.00 0.00 C ATOM 523 OD1 ASP A 33 10.589 5.406 10.249 1.00 0.00 O ATOM 524 OD2 ASP A 33 8.550 5.956 10.672 1.00 0.00 O ATOM 0 H ASP A 33 7.928 5.510 7.358 1.00 0.00 H new ATOM 0 HA ASP A 33 10.607 4.482 7.970 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.807 4.164 9.127 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.124 3.154 9.689 1.00 0.00 H new ATOM 529 N LYS A 34 8.249 2.388 6.918 1.00 0.00 N ATOM 530 CA LYS A 34 8.054 1.064 6.233 1.00 0.00 C ATOM 531 C LYS A 34 6.744 1.075 5.438 1.00 0.00 C ATOM 532 O LYS A 34 5.788 1.732 5.820 1.00 0.00 O ATOM 533 CB LYS A 34 7.996 -0.055 7.278 1.00 0.00 C ATOM 534 CG LYS A 34 9.200 0.050 8.218 1.00 0.00 C ATOM 535 CD LYS A 34 9.175 -1.113 9.213 1.00 0.00 C ATOM 536 CE LYS A 34 10.607 -1.545 9.533 1.00 0.00 C ATOM 537 NZ LYS A 34 10.603 -2.948 10.039 1.00 0.00 N ATOM 0 H LYS A 34 7.386 2.863 7.181 1.00 0.00 H new ATOM 0 HA LYS A 34 8.890 0.891 5.555 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.070 0.016 7.849 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.992 -1.027 6.784 1.00 0.00 H new ATOM 0 HG2 LYS A 34 10.126 0.031 7.643 1.00 0.00 H new ATOM 0 HG3 LYS A 34 9.176 1.000 8.752 1.00 0.00 H new ATOM 0 HD2 LYS A 34 8.662 -0.812 10.127 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.616 -1.951 8.795 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.228 -1.471 8.640 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.041 -0.879 10.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.577 -3.241 10.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.024 -3.005 10.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.206 -3.578 9.313 1.00 0.00 H new ATOM 551 N ASN A 35 6.701 0.346 4.338 1.00 0.00 N ATOM 552 CA ASN A 35 5.463 0.291 3.495 1.00 0.00 C ATOM 553 C ASN A 35 5.284 -1.120 2.920 1.00 0.00 C ATOM 554 O ASN A 35 6.249 -1.791 2.601 1.00 0.00 O ATOM 555 CB ASN A 35 5.588 1.293 2.341 1.00 0.00 C ATOM 556 CG ASN A 35 4.302 1.284 1.507 1.00 0.00 C ATOM 557 OD1 ASN A 35 3.913 0.267 0.973 1.00 0.00 O ATOM 558 ND2 ASN A 35 3.623 2.384 1.370 1.00 0.00 N ATOM 0 H ASN A 35 7.479 -0.215 3.990 1.00 0.00 H new ATOM 0 HA ASN A 35 4.600 0.542 4.112 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.771 2.293 2.733 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.441 1.035 1.714 1.00 0.00 H new ATOM 0 HD21 ASN A 35 2.767 2.389 0.815 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.946 3.242 1.817 1.00 0.00 H new ATOM 565 N THR A 36 4.048 -1.549 2.772 1.00 0.00 N ATOM 566 CA THR A 36 3.753 -2.898 2.195 1.00 0.00 C ATOM 567 C THR A 36 2.921 -2.713 0.921 1.00 0.00 C ATOM 568 O THR A 36 1.832 -2.164 0.970 1.00 0.00 O ATOM 569 CB THR A 36 2.961 -3.731 3.206 1.00 0.00 C ATOM 570 OG1 THR A 36 3.620 -3.698 4.465 1.00 0.00 O ATOM 571 CG2 THR A 36 2.867 -5.177 2.713 1.00 0.00 C ATOM 0 H THR A 36 3.222 -1.010 3.032 1.00 0.00 H new ATOM 0 HA THR A 36 4.685 -3.414 1.963 1.00 0.00 H new ATOM 0 HB THR A 36 1.957 -3.319 3.312 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.113 -4.230 5.114 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.303 -5.771 3.432 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.361 -5.200 1.748 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.870 -5.591 2.607 1.00 0.00 H new ATOM 579 N PHE A 37 3.431 -3.157 -0.210 1.00 0.00 N ATOM 580 CA PHE A 37 2.686 -3.003 -1.501 1.00 0.00 C ATOM 581 C PHE A 37 1.979 -4.313 -1.859 1.00 0.00 C ATOM 582 O PHE A 37 2.270 -5.360 -1.304 1.00 0.00 O ATOM 583 CB PHE A 37 3.661 -2.657 -2.627 1.00 0.00 C ATOM 584 CG PHE A 37 4.027 -1.190 -2.588 1.00 0.00 C ATOM 585 CD1 PHE A 37 4.700 -0.645 -1.482 1.00 0.00 C ATOM 586 CD2 PHE A 37 3.707 -0.376 -3.678 1.00 0.00 C ATOM 587 CE1 PHE A 37 5.050 0.709 -1.476 1.00 0.00 C ATOM 588 CE2 PHE A 37 4.054 0.979 -3.667 1.00 0.00 C ATOM 589 CZ PHE A 37 4.726 1.520 -2.566 1.00 0.00 C ATOM 0 H PHE A 37 4.336 -3.621 -0.291 1.00 0.00 H new ATOM 0 HA PHE A 37 1.953 -2.205 -1.383 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.562 -3.264 -2.534 1.00 0.00 H new ATOM 0 HB3 PHE A 37 3.212 -2.899 -3.590 1.00 0.00 H new ATOM 0 HD1 PHE A 37 4.947 -1.271 -0.637 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.191 -0.794 -4.530 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.571 1.128 -0.628 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.803 1.608 -4.509 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.995 2.566 -2.559 1.00 0.00 H new ATOM 599 N ILE A 38 1.066 -4.246 -2.805 1.00 0.00 N ATOM 600 CA ILE A 38 0.317 -5.458 -3.261 1.00 0.00 C ATOM 601 C ILE A 38 0.621 -5.683 -4.743 1.00 0.00 C ATOM 602 O ILE A 38 0.610 -4.747 -5.530 1.00 0.00 O ATOM 603 CB ILE A 38 -1.188 -5.224 -3.083 1.00 0.00 C ATOM 604 CG1 ILE A 38 -1.492 -4.850 -1.622 1.00 0.00 C ATOM 605 CG2 ILE A 38 -1.957 -6.492 -3.465 1.00 0.00 C ATOM 606 CD1 ILE A 38 -1.076 -5.982 -0.675 1.00 0.00 C ATOM 0 H ILE A 38 0.807 -3.385 -3.286 1.00 0.00 H new ATOM 0 HA ILE A 38 0.618 -6.328 -2.677 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.501 -4.405 -3.731 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.962 -3.935 -1.358 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.557 -4.646 -1.508 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.026 -6.322 -3.337 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.751 -6.743 -4.506 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.642 -7.316 -2.824 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.300 -5.697 0.353 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.626 -6.889 -0.928 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.006 -6.166 -0.776 1.00 0.00 H new ATOM 618 N TYR A 39 0.887 -6.914 -5.121 1.00 0.00 N ATOM 619 CA TYR A 39 1.192 -7.229 -6.551 1.00 0.00 C ATOM 620 C TYR A 39 -0.099 -7.724 -7.227 1.00 0.00 C ATOM 621 O TYR A 39 -0.247 -8.897 -7.548 1.00 0.00 O ATOM 622 CB TYR A 39 2.293 -8.301 -6.606 1.00 0.00 C ATOM 623 CG TYR A 39 2.578 -8.683 -8.043 1.00 0.00 C ATOM 624 CD1 TYR A 39 2.864 -7.693 -8.991 1.00 0.00 C ATOM 625 CD2 TYR A 39 2.548 -10.030 -8.424 1.00 0.00 C ATOM 626 CE1 TYR A 39 3.122 -8.052 -10.320 1.00 0.00 C ATOM 627 CE2 TYR A 39 2.806 -10.387 -9.752 1.00 0.00 C ATOM 628 CZ TYR A 39 3.093 -9.399 -10.700 1.00 0.00 C ATOM 629 OH TYR A 39 3.344 -9.752 -12.010 1.00 0.00 O ATOM 0 H TYR A 39 0.905 -7.718 -4.493 1.00 0.00 H new ATOM 0 HA TYR A 39 1.550 -6.344 -7.078 1.00 0.00 H new ATOM 0 HB2 TYR A 39 3.201 -7.925 -6.135 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.983 -9.181 -6.043 1.00 0.00 H new ATOM 0 HD1 TYR A 39 2.886 -6.654 -8.698 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.326 -10.793 -7.693 1.00 0.00 H new ATOM 0 HE1 TYR A 39 3.343 -7.289 -11.052 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.784 -11.426 -10.045 1.00 0.00 H new ATOM 0 HH TYR A 39 3.285 -10.726 -12.103 1.00 0.00 H new ATOM 639 N SER A 40 -1.034 -6.821 -7.432 1.00 0.00 N ATOM 640 CA SER A 40 -2.334 -7.190 -8.076 1.00 0.00 C ATOM 641 C SER A 40 -2.793 -6.063 -9.002 1.00 0.00 C ATOM 642 O SER A 40 -2.181 -5.007 -9.056 1.00 0.00 O ATOM 643 CB SER A 40 -3.390 -7.415 -6.995 1.00 0.00 C ATOM 644 OG SER A 40 -4.607 -7.824 -7.606 1.00 0.00 O ATOM 0 H SER A 40 -0.948 -5.837 -7.177 1.00 0.00 H new ATOM 0 HA SER A 40 -2.200 -8.103 -8.657 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.050 -8.174 -6.291 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.545 -6.499 -6.426 1.00 0.00 H new ATOM 0 HG SER A 40 -5.287 -7.971 -6.915 1.00 0.00 H new ATOM 650 N LEU A 41 -3.870 -6.292 -9.721 1.00 0.00 N ATOM 651 CA LEU A 41 -4.409 -5.256 -10.655 1.00 0.00 C ATOM 652 C LEU A 41 -5.360 -4.324 -9.881 1.00 0.00 C ATOM 653 O LEU A 41 -6.007 -4.767 -8.947 1.00 0.00 O ATOM 654 CB LEU A 41 -5.178 -5.948 -11.791 1.00 0.00 C ATOM 655 CG LEU A 41 -4.220 -6.355 -12.923 1.00 0.00 C ATOM 656 CD1 LEU A 41 -3.582 -5.107 -13.534 1.00 0.00 C ATOM 657 CD2 LEU A 41 -3.115 -7.272 -12.382 1.00 0.00 C ATOM 0 H LEU A 41 -4.401 -7.162 -9.698 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.589 -4.674 -11.075 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.690 -6.830 -11.406 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.945 -5.278 -12.179 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.788 -6.889 -13.684 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.904 -5.400 -14.336 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.361 -4.460 -13.936 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.025 -4.570 -12.766 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.444 -7.552 -13.194 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.551 -6.747 -11.611 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.563 -8.170 -11.956 1.00 0.00 H new ATOM 669 N PRO A 42 -5.439 -3.060 -10.291 1.00 0.00 N ATOM 670 CA PRO A 42 -6.324 -2.074 -9.635 1.00 0.00 C ATOM 671 C PRO A 42 -7.787 -2.289 -10.056 1.00 0.00 C ATOM 672 O PRO A 42 -8.691 -1.727 -9.461 1.00 0.00 O ATOM 673 CB PRO A 42 -5.797 -0.723 -10.130 1.00 0.00 C ATOM 674 CG PRO A 42 -5.034 -1.004 -11.444 1.00 0.00 C ATOM 675 CD PRO A 42 -4.672 -2.502 -11.433 1.00 0.00 C ATOM 0 HA PRO A 42 -6.315 -2.152 -8.548 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.617 -0.025 -10.299 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -5.139 -0.268 -9.389 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -5.651 -0.761 -12.309 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.136 -0.389 -11.510 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.948 -2.984 -12.371 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.600 -2.651 -11.302 1.00 0.00 H new ATOM 683 N GLY A 43 -8.019 -3.105 -11.072 1.00 0.00 N ATOM 684 CA GLY A 43 -9.411 -3.380 -11.546 1.00 0.00 C ATOM 685 C GLY A 43 -10.144 -4.273 -10.527 1.00 0.00 C ATOM 686 O GLY A 43 -11.184 -3.882 -10.029 1.00 0.00 O ATOM 0 H GLY A 43 -7.290 -3.593 -11.592 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.952 -2.443 -11.677 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.383 -3.871 -12.519 1.00 0.00 H new ATOM 690 N PRO A 44 -9.590 -5.451 -10.240 1.00 0.00 N ATOM 691 CA PRO A 44 -10.202 -6.395 -9.278 1.00 0.00 C ATOM 692 C PRO A 44 -10.019 -5.907 -7.838 1.00 0.00 C ATOM 693 O PRO A 44 -10.840 -6.189 -6.982 1.00 0.00 O ATOM 694 CB PRO A 44 -9.454 -7.708 -9.519 1.00 0.00 C ATOM 695 CG PRO A 44 -8.112 -7.332 -10.181 1.00 0.00 C ATOM 696 CD PRO A 44 -8.318 -5.950 -10.828 1.00 0.00 C ATOM 0 HA PRO A 44 -11.278 -6.499 -9.418 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -9.289 -8.238 -8.581 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.032 -8.371 -10.163 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.311 -7.300 -9.443 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.827 -8.072 -10.929 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -7.488 -5.280 -10.606 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.385 -6.026 -11.913 1.00 0.00 H new ATOM 704 N VAL A 45 -8.960 -5.165 -7.575 1.00 0.00 N ATOM 705 CA VAL A 45 -8.726 -4.633 -6.195 1.00 0.00 C ATOM 706 C VAL A 45 -9.748 -3.526 -5.948 1.00 0.00 C ATOM 707 O VAL A 45 -10.419 -3.504 -4.929 1.00 0.00 O ATOM 708 CB VAL A 45 -7.293 -4.091 -6.082 1.00 0.00 C ATOM 709 CG1 VAL A 45 -7.071 -3.464 -4.700 1.00 0.00 C ATOM 710 CG2 VAL A 45 -6.306 -5.246 -6.272 1.00 0.00 C ATOM 0 H VAL A 45 -8.250 -4.908 -8.261 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.843 -5.419 -5.449 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.137 -3.331 -6.848 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.052 -3.084 -4.633 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.775 -2.644 -4.555 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.229 -4.218 -3.929 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.286 -4.870 -6.193 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.475 -5.999 -5.503 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.453 -5.692 -7.256 1.00 0.00 H new ATOM 720 N LYS A 46 -9.883 -2.630 -6.901 1.00 0.00 N ATOM 721 CA LYS A 46 -10.878 -1.520 -6.784 1.00 0.00 C ATOM 722 C LYS A 46 -12.291 -2.112 -6.846 1.00 0.00 C ATOM 723 O LYS A 46 -13.231 -1.532 -6.330 1.00 0.00 O ATOM 724 CB LYS A 46 -10.682 -0.536 -7.944 1.00 0.00 C ATOM 725 CG LYS A 46 -11.679 0.622 -7.818 1.00 0.00 C ATOM 726 CD LYS A 46 -11.321 1.723 -8.820 1.00 0.00 C ATOM 727 CE LYS A 46 -12.146 1.545 -10.097 1.00 0.00 C ATOM 728 NZ LYS A 46 -12.415 2.879 -10.704 1.00 0.00 N ATOM 0 H LYS A 46 -9.338 -2.624 -7.763 1.00 0.00 H new ATOM 0 HA LYS A 46 -10.739 -0.994 -5.839 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.662 -0.152 -7.938 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.824 -1.048 -8.895 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -12.692 0.264 -8.003 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -11.662 1.021 -6.804 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.515 2.703 -8.383 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.257 1.683 -9.054 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.609 0.913 -10.805 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -13.085 1.041 -9.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.976 2.759 -11.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.944 3.467 -10.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.514 3.343 -10.936 1.00 0.00 H new ATOM 742 N ALA A 47 -12.437 -3.264 -7.478 1.00 0.00 N ATOM 743 CA ALA A 47 -13.780 -3.916 -7.590 1.00 0.00 C ATOM 744 C ALA A 47 -14.322 -4.204 -6.189 1.00 0.00 C ATOM 745 O ALA A 47 -15.522 -4.177 -5.965 1.00 0.00 O ATOM 746 CB ALA A 47 -13.644 -5.227 -8.366 1.00 0.00 C ATOM 0 H ALA A 47 -11.675 -3.777 -7.921 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.467 -3.253 -8.116 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.621 -5.704 -8.449 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -13.255 -5.021 -9.363 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -12.959 -5.892 -7.840 1.00 0.00 H new ATOM 752 N LEU A 48 -13.438 -4.475 -5.251 1.00 0.00 N ATOM 753 CA LEU A 48 -13.866 -4.769 -3.848 1.00 0.00 C ATOM 754 C LEU A 48 -14.562 -3.542 -3.258 1.00 0.00 C ATOM 755 O LEU A 48 -15.484 -3.663 -2.468 1.00 0.00 O ATOM 756 CB LEU A 48 -12.634 -5.106 -3.004 1.00 0.00 C ATOM 757 CG LEU A 48 -12.117 -6.494 -3.381 1.00 0.00 C ATOM 758 CD1 LEU A 48 -10.624 -6.586 -3.058 1.00 0.00 C ATOM 759 CD2 LEU A 48 -12.877 -7.553 -2.581 1.00 0.00 C ATOM 0 H LEU A 48 -12.430 -4.504 -5.404 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.555 -5.613 -3.847 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -11.855 -4.361 -3.166 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -12.888 -5.077 -1.944 1.00 0.00 H new ATOM 0 HG LEU A 48 -12.270 -6.663 -4.447 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -10.254 -7.576 -3.326 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.082 -5.830 -3.625 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.471 -6.418 -1.992 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -12.510 -8.544 -2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -12.723 -7.384 -1.515 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -13.941 -7.487 -2.808 1.00 0.00 H new ATOM 771 N CYS A 49 -14.112 -2.366 -3.639 1.00 0.00 N ATOM 772 CA CYS A 49 -14.713 -1.096 -3.117 1.00 0.00 C ATOM 773 C CYS A 49 -15.994 -0.749 -3.882 1.00 0.00 C ATOM 774 O CYS A 49 -16.809 0.020 -3.398 1.00 0.00 O ATOM 775 CB CYS A 49 -13.704 0.040 -3.283 1.00 0.00 C ATOM 776 SG CYS A 49 -12.555 0.030 -1.885 1.00 0.00 S ATOM 0 H CYS A 49 -13.344 -2.233 -4.297 1.00 0.00 H new ATOM 0 HA CYS A 49 -14.961 -1.231 -2.064 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -13.157 -0.078 -4.219 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -14.223 0.997 -3.335 1.00 0.00 H new ATOM 781 N ARG A 50 -16.172 -1.299 -5.069 1.00 0.00 N ATOM 782 CA ARG A 50 -17.399 -1.000 -5.882 1.00 0.00 C ATOM 783 C ARG A 50 -18.658 -1.329 -5.062 1.00 0.00 C ATOM 784 O ARG A 50 -19.139 -2.454 -5.068 1.00 0.00 O ATOM 785 CB ARG A 50 -17.371 -1.842 -7.167 1.00 0.00 C ATOM 786 CG ARG A 50 -17.774 -0.976 -8.365 1.00 0.00 C ATOM 787 CD ARG A 50 -17.940 -1.862 -9.603 1.00 0.00 C ATOM 788 NE ARG A 50 -18.764 -1.148 -10.619 1.00 0.00 N ATOM 789 CZ ARG A 50 -18.262 -0.873 -11.791 1.00 0.00 C ATOM 790 NH1 ARG A 50 -17.250 -0.054 -11.891 1.00 0.00 N ATOM 791 NH2 ARG A 50 -18.772 -1.415 -12.864 1.00 0.00 N ATOM 0 H ARG A 50 -15.515 -1.944 -5.508 1.00 0.00 H new ATOM 0 HA ARG A 50 -17.417 0.058 -6.144 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -16.373 -2.252 -7.322 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -18.052 -2.688 -7.073 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -18.706 -0.453 -8.152 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -17.016 -0.215 -8.548 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -16.964 -2.109 -10.020 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -18.417 -2.803 -9.329 1.00 0.00 H new ATOM 0 HE ARG A 50 -19.721 -0.874 -10.398 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -16.853 0.370 -11.053 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -16.857 0.161 -12.807 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -19.563 -2.054 -12.786 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -18.379 -1.200 -13.780 1.00 0.00 H new ATOM 805 N GLY A 51 -19.189 -0.344 -4.360 1.00 0.00 N ATOM 806 CA GLY A 51 -20.418 -0.564 -3.532 1.00 0.00 C ATOM 807 C GLY A 51 -20.280 0.133 -2.172 1.00 0.00 C ATOM 808 O GLY A 51 -21.273 0.470 -1.547 1.00 0.00 O ATOM 0 H GLY A 51 -18.817 0.605 -4.329 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -21.292 -0.179 -4.058 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -20.579 -1.632 -3.386 1.00 0.00 H new ATOM 812 N VAL A 52 -19.061 0.343 -1.712 1.00 0.00 N ATOM 813 CA VAL A 52 -18.844 1.011 -0.387 1.00 0.00 C ATOM 814 C VAL A 52 -19.010 2.530 -0.543 1.00 0.00 C ATOM 815 O VAL A 52 -18.456 3.130 -1.451 1.00 0.00 O ATOM 816 CB VAL A 52 -17.433 0.675 0.124 1.00 0.00 C ATOM 817 CG1 VAL A 52 -16.378 1.201 -0.857 1.00 0.00 C ATOM 818 CG2 VAL A 52 -17.221 1.308 1.504 1.00 0.00 C ATOM 0 H VAL A 52 -18.207 0.078 -2.202 1.00 0.00 H new ATOM 0 HA VAL A 52 -19.578 0.652 0.334 1.00 0.00 H new ATOM 0 HB VAL A 52 -17.332 -0.407 0.204 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -15.382 0.958 -0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -16.525 0.737 -1.832 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -16.476 2.283 -0.951 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -16.220 1.069 1.864 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -17.330 2.390 1.429 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -17.961 0.916 2.202 1.00 0.00 H new ATOM 828 N ILE A 53 -19.778 3.140 0.337 1.00 0.00 N ATOM 829 CA ILE A 53 -20.016 4.619 0.271 1.00 0.00 C ATOM 830 C ILE A 53 -19.350 5.309 1.465 1.00 0.00 C ATOM 831 O ILE A 53 -18.792 6.385 1.328 1.00 0.00 O ATOM 832 CB ILE A 53 -21.523 4.884 0.306 1.00 0.00 C ATOM 833 CG1 ILE A 53 -22.221 4.087 -0.810 1.00 0.00 C ATOM 834 CG2 ILE A 53 -21.796 6.381 0.122 1.00 0.00 C ATOM 835 CD1 ILE A 53 -21.670 4.494 -2.183 1.00 0.00 C ATOM 0 H ILE A 53 -20.254 2.668 1.106 1.00 0.00 H new ATOM 0 HA ILE A 53 -19.590 5.014 -0.651 1.00 0.00 H new ATOM 0 HB ILE A 53 -21.916 4.566 1.272 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -22.069 3.019 -0.652 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -23.296 4.265 -0.775 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -22.871 6.561 0.148 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -21.315 6.940 0.925 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -21.397 6.708 -0.838 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -22.174 3.921 -2.962 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -21.845 5.558 -2.344 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -20.599 4.292 -2.220 1.00 0.00 H new ATOM 847 N PHE A 54 -19.406 4.692 2.622 1.00 0.00 N ATOM 848 CA PHE A 54 -18.779 5.289 3.846 1.00 0.00 C ATOM 849 C PHE A 54 -17.548 4.474 4.244 1.00 0.00 C ATOM 850 O PHE A 54 -17.250 3.451 3.647 1.00 0.00 O ATOM 851 CB PHE A 54 -19.784 5.307 5.006 1.00 0.00 C ATOM 852 CG PHE A 54 -20.506 3.981 5.099 1.00 0.00 C ATOM 853 CD1 PHE A 54 -19.867 2.870 5.661 1.00 0.00 C ATOM 854 CD2 PHE A 54 -21.819 3.867 4.624 1.00 0.00 C ATOM 855 CE1 PHE A 54 -20.540 1.644 5.747 1.00 0.00 C ATOM 856 CE2 PHE A 54 -22.491 2.642 4.710 1.00 0.00 C ATOM 857 CZ PHE A 54 -21.852 1.531 5.272 1.00 0.00 C ATOM 0 H PHE A 54 -19.863 3.793 2.772 1.00 0.00 H new ATOM 0 HA PHE A 54 -18.481 6.313 3.624 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -19.265 5.512 5.942 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -20.505 6.111 4.859 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -18.855 2.958 6.028 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -22.313 4.724 4.191 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -20.047 0.786 6.180 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -23.503 2.554 4.343 1.00 0.00 H new ATOM 0 HZ PHE A 54 -22.371 0.586 5.339 1.00 0.00 H new ATOM 867 N SER A 55 -16.833 4.934 5.246 1.00 0.00 N ATOM 868 CA SER A 55 -15.602 4.225 5.716 1.00 0.00 C ATOM 869 C SER A 55 -15.942 2.790 6.123 1.00 0.00 C ATOM 870 O SER A 55 -16.801 2.557 6.956 1.00 0.00 O ATOM 871 CB SER A 55 -15.014 4.971 6.915 1.00 0.00 C ATOM 872 OG SER A 55 -16.065 5.350 7.794 1.00 0.00 O ATOM 0 H SER A 55 -17.056 5.784 5.764 1.00 0.00 H new ATOM 0 HA SER A 55 -14.874 4.199 4.905 1.00 0.00 H new ATOM 0 HB2 SER A 55 -14.298 4.336 7.438 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.470 5.854 6.578 1.00 0.00 H new ATOM 0 HG SER A 55 -16.639 4.575 7.971 1.00 0.00 H new ATOM 878 N ALA A 56 -15.253 1.838 5.536 1.00 0.00 N ATOM 879 CA ALA A 56 -15.481 0.394 5.856 1.00 0.00 C ATOM 880 C ALA A 56 -14.135 -0.329 5.780 1.00 0.00 C ATOM 881 O ALA A 56 -13.241 0.114 5.085 1.00 0.00 O ATOM 882 CB ALA A 56 -16.451 -0.212 4.838 1.00 0.00 C ATOM 0 H ALA A 56 -14.530 2.006 4.837 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.909 0.290 6.853 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -16.615 -1.264 5.073 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -17.401 0.321 4.878 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -16.028 -0.126 3.837 1.00 0.00 H new ATOM 888 N ASP A 57 -13.984 -1.425 6.491 1.00 0.00 N ATOM 889 CA ASP A 57 -12.683 -2.170 6.469 1.00 0.00 C ATOM 890 C ASP A 57 -12.768 -3.334 5.480 1.00 0.00 C ATOM 891 O ASP A 57 -13.556 -4.249 5.655 1.00 0.00 O ATOM 892 CB ASP A 57 -12.378 -2.711 7.869 1.00 0.00 C ATOM 893 CG ASP A 57 -13.553 -3.559 8.357 1.00 0.00 C ATOM 894 OD1 ASP A 57 -14.506 -2.984 8.859 1.00 0.00 O ATOM 895 OD2 ASP A 57 -13.482 -4.769 8.221 1.00 0.00 O ATOM 0 H ASP A 57 -14.705 -1.834 7.085 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.888 -1.492 6.159 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.468 -3.310 7.848 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.201 -1.886 8.558 1.00 0.00 H new ATOM 900 N VAL A 58 -11.954 -3.293 4.446 1.00 0.00 N ATOM 901 CA VAL A 58 -11.955 -4.381 3.419 1.00 0.00 C ATOM 902 C VAL A 58 -10.733 -5.278 3.625 1.00 0.00 C ATOM 903 O VAL A 58 -9.603 -4.816 3.587 1.00 0.00 O ATOM 904 CB VAL A 58 -11.904 -3.761 2.017 1.00 0.00 C ATOM 905 CG1 VAL A 58 -11.950 -4.866 0.955 1.00 0.00 C ATOM 906 CG2 VAL A 58 -13.103 -2.827 1.831 1.00 0.00 C ATOM 0 H VAL A 58 -11.284 -2.544 4.272 1.00 0.00 H new ATOM 0 HA VAL A 58 -12.863 -4.975 3.520 1.00 0.00 H new ATOM 0 HB VAL A 58 -10.978 -3.197 1.908 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -11.913 -4.418 -0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.096 -5.531 1.085 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -12.873 -5.436 1.062 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -13.069 -2.385 0.835 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -14.027 -3.394 1.945 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -13.068 -2.036 2.580 1.00 0.00 H new ATOM 916 N LEU A 59 -10.963 -6.556 3.826 1.00 0.00 N ATOM 917 CA LEU A 59 -9.840 -7.521 4.021 1.00 0.00 C ATOM 918 C LEU A 59 -9.717 -8.381 2.758 1.00 0.00 C ATOM 919 O LEU A 59 -10.706 -8.880 2.247 1.00 0.00 O ATOM 920 CB LEU A 59 -10.131 -8.412 5.239 1.00 0.00 C ATOM 921 CG LEU A 59 -9.036 -8.225 6.292 1.00 0.00 C ATOM 922 CD1 LEU A 59 -9.507 -8.794 7.631 1.00 0.00 C ATOM 923 CD2 LEU A 59 -7.771 -8.958 5.846 1.00 0.00 C ATOM 0 H LEU A 59 -11.893 -6.973 3.863 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.907 -6.985 4.196 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.103 -8.158 5.663 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -10.180 -9.457 4.933 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.822 -7.162 6.406 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.725 -8.659 8.379 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -10.409 -8.272 7.951 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.723 -9.857 7.519 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.990 -8.825 6.595 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.987 -10.020 5.731 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.432 -8.552 4.893 1.00 0.00 H new ATOM 935 N SER A 60 -8.510 -8.543 2.250 1.00 0.00 N ATOM 936 CA SER A 60 -8.292 -9.357 1.007 1.00 0.00 C ATOM 937 C SER A 60 -8.912 -10.750 1.173 1.00 0.00 C ATOM 938 O SER A 60 -8.733 -11.399 2.190 1.00 0.00 O ATOM 939 CB SER A 60 -6.791 -9.497 0.743 1.00 0.00 C ATOM 940 OG SER A 60 -6.149 -9.970 1.917 1.00 0.00 O ATOM 0 H SER A 60 -7.662 -8.141 2.649 1.00 0.00 H new ATOM 0 HA SER A 60 -8.767 -8.853 0.166 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.618 -10.187 -0.083 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.371 -8.535 0.448 1.00 0.00 H new ATOM 0 HG SER A 60 -6.452 -10.881 2.111 1.00 0.00 H new ATOM 946 N ASN A 61 -9.637 -11.203 0.169 1.00 0.00 N ATOM 947 CA ASN A 61 -10.283 -12.552 0.227 1.00 0.00 C ATOM 948 C ASN A 61 -9.196 -13.625 0.217 1.00 0.00 C ATOM 949 O ASN A 61 -9.341 -14.670 0.829 1.00 0.00 O ATOM 950 CB ASN A 61 -11.192 -12.735 -0.992 1.00 0.00 C ATOM 951 CG ASN A 61 -12.517 -12.003 -0.763 1.00 0.00 C ATOM 952 OD1 ASN A 61 -12.536 -10.889 -0.278 1.00 0.00 O ATOM 953 ND2 ASN A 61 -13.636 -12.587 -1.095 1.00 0.00 N ATOM 0 H ASN A 61 -9.807 -10.687 -0.694 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.877 -12.638 1.137 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -10.701 -12.348 -1.885 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.376 -13.795 -1.164 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.524 -12.108 -0.947 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.622 -13.522 -1.502 1.00 0.00 H new ATOM 960 N SER A 62 -8.110 -13.361 -0.479 1.00 0.00 N ATOM 961 CA SER A 62 -6.983 -14.342 -0.556 1.00 0.00 C ATOM 962 C SER A 62 -5.649 -13.598 -0.465 1.00 0.00 C ATOM 963 O SER A 62 -5.492 -12.523 -1.021 1.00 0.00 O ATOM 964 CB SER A 62 -7.056 -15.098 -1.882 1.00 0.00 C ATOM 965 OG SER A 62 -8.355 -15.653 -2.034 1.00 0.00 O ATOM 0 H SER A 62 -7.959 -12.498 -1.001 1.00 0.00 H new ATOM 0 HA SER A 62 -7.060 -15.049 0.270 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.836 -14.425 -2.711 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.305 -15.888 -1.906 1.00 0.00 H new ATOM 0 HG SER A 62 -8.406 -16.138 -2.884 1.00 0.00 H new ATOM 971 N GLU A 63 -4.696 -14.172 0.236 1.00 0.00 N ATOM 972 CA GLU A 63 -3.352 -13.532 0.394 1.00 0.00 C ATOM 973 C GLU A 63 -2.692 -13.358 -0.975 1.00 0.00 C ATOM 974 O GLU A 63 -2.756 -14.236 -1.820 1.00 0.00 O ATOM 975 CB GLU A 63 -2.465 -14.413 1.280 1.00 0.00 C ATOM 976 CG GLU A 63 -2.489 -15.855 0.769 1.00 0.00 C ATOM 977 CD GLU A 63 -1.162 -16.536 1.102 1.00 0.00 C ATOM 978 OE1 GLU A 63 -0.797 -16.541 2.267 1.00 0.00 O ATOM 979 OE2 GLU A 63 -0.530 -17.039 0.189 1.00 0.00 O ATOM 0 H GLU A 63 -4.797 -15.069 0.711 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.476 -12.554 0.859 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.443 -14.034 1.278 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.816 -14.377 2.311 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.315 -16.400 1.226 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.656 -15.868 -0.308 1.00 0.00 H new ATOM 986 N PHE A 64 -2.052 -12.228 -1.186 1.00 0.00 N ATOM 987 CA PHE A 64 -1.359 -11.958 -2.489 1.00 0.00 C ATOM 988 C PHE A 64 0.122 -11.714 -2.225 1.00 0.00 C ATOM 989 O PHE A 64 0.560 -11.671 -1.082 1.00 0.00 O ATOM 990 CB PHE A 64 -1.941 -10.703 -3.159 1.00 0.00 C ATOM 991 CG PHE A 64 -3.452 -10.754 -3.137 1.00 0.00 C ATOM 992 CD1 PHE A 64 -4.134 -11.709 -3.902 1.00 0.00 C ATOM 993 CD2 PHE A 64 -4.170 -9.846 -2.350 1.00 0.00 C ATOM 994 CE1 PHE A 64 -5.533 -11.755 -3.879 1.00 0.00 C ATOM 995 CE2 PHE A 64 -5.569 -9.892 -2.326 1.00 0.00 C ATOM 996 CZ PHE A 64 -6.250 -10.847 -3.090 1.00 0.00 C ATOM 0 H PHE A 64 -1.980 -11.474 -0.503 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.501 -12.818 -3.143 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.592 -9.810 -2.641 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.587 -10.633 -4.188 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.581 -12.410 -4.509 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.644 -9.109 -1.761 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.059 -12.490 -4.470 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -6.122 -9.191 -1.719 1.00 0.00 H new ATOM 0 HZ PHE A 64 -7.329 -10.884 -3.071 1.00 0.00 H new ATOM 1006 N TYR A 65 0.884 -11.525 -3.276 1.00 0.00 N ATOM 1007 CA TYR A 65 2.338 -11.243 -3.118 1.00 0.00 C ATOM 1008 C TYR A 65 2.460 -9.836 -2.549 1.00 0.00 C ATOM 1009 O TYR A 65 1.659 -8.971 -2.869 1.00 0.00 O ATOM 1010 CB TYR A 65 3.045 -11.335 -4.471 1.00 0.00 C ATOM 1011 CG TYR A 65 3.255 -12.785 -4.828 1.00 0.00 C ATOM 1012 CD1 TYR A 65 3.941 -13.632 -3.949 1.00 0.00 C ATOM 1013 CD2 TYR A 65 2.761 -13.284 -6.038 1.00 0.00 C ATOM 1014 CE1 TYR A 65 4.132 -14.978 -4.281 1.00 0.00 C ATOM 1015 CE2 TYR A 65 2.953 -14.630 -6.371 1.00 0.00 C ATOM 1016 CZ TYR A 65 3.638 -15.477 -5.492 1.00 0.00 C ATOM 1017 OH TYR A 65 3.825 -16.805 -5.819 1.00 0.00 O ATOM 0 H TYR A 65 0.555 -11.555 -4.241 1.00 0.00 H new ATOM 0 HA TYR A 65 2.805 -11.970 -2.453 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.449 -10.842 -5.239 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.003 -10.817 -4.429 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.323 -13.247 -3.015 1.00 0.00 H new ATOM 0 HD2 TYR A 65 2.231 -12.631 -6.715 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.660 -15.632 -3.603 1.00 0.00 H new ATOM 0 HE2 TYR A 65 2.573 -15.015 -7.306 1.00 0.00 H new ATOM 0 HH TYR A 65 3.420 -16.987 -6.692 1.00 0.00 H new ATOM 1027 N LEU A 66 3.423 -9.608 -1.688 1.00 0.00 N ATOM 1028 CA LEU A 66 3.572 -8.259 -1.062 1.00 0.00 C ATOM 1029 C LEU A 66 5.003 -7.753 -1.213 1.00 0.00 C ATOM 1030 O LEU A 66 5.942 -8.387 -0.758 1.00 0.00 O ATOM 1031 CB LEU A 66 3.233 -8.345 0.431 1.00 0.00 C ATOM 1032 CG LEU A 66 1.907 -9.088 0.638 1.00 0.00 C ATOM 1033 CD1 LEU A 66 1.789 -9.512 2.103 1.00 0.00 C ATOM 1034 CD2 LEU A 66 0.741 -8.164 0.283 1.00 0.00 C ATOM 0 H LEU A 66 4.112 -10.300 -1.392 1.00 0.00 H new ATOM 0 HA LEU A 66 2.893 -7.569 -1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.033 -8.861 0.963 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.165 -7.342 0.853 1.00 0.00 H new ATOM 0 HG LEU A 66 1.880 -9.969 -0.003 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.848 -10.040 2.254 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.620 -10.170 2.359 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.815 -8.628 2.741 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.200 -8.693 0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.767 -7.283 0.924 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.825 -7.856 -0.759 1.00 0.00 H new ATOM 1046 N ALA A 67 5.156 -6.596 -1.818 1.00 0.00 N ATOM 1047 CA ALA A 67 6.507 -5.983 -1.987 1.00 0.00 C ATOM 1048 C ALA A 67 6.634 -4.872 -0.944 1.00 0.00 C ATOM 1049 O ALA A 67 6.168 -3.763 -1.150 1.00 0.00 O ATOM 1050 CB ALA A 67 6.645 -5.408 -3.405 1.00 0.00 C ATOM 0 H ALA A 67 4.389 -6.047 -2.206 1.00 0.00 H new ATOM 0 HA ALA A 67 7.294 -6.725 -1.850 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.633 -4.962 -3.522 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.518 -6.207 -4.136 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.882 -4.646 -3.565 1.00 0.00 H new ATOM 1056 N GLU A 68 7.232 -5.176 0.185 1.00 0.00 N ATOM 1057 CA GLU A 68 7.357 -4.154 1.276 1.00 0.00 C ATOM 1058 C GLU A 68 8.742 -3.521 1.272 1.00 0.00 C ATOM 1059 O GLU A 68 9.711 -4.103 0.811 1.00 0.00 O ATOM 1060 CB GLU A 68 7.081 -4.776 2.655 1.00 0.00 C ATOM 1061 CG GLU A 68 7.692 -6.177 2.752 1.00 0.00 C ATOM 1062 CD GLU A 68 7.970 -6.518 4.216 1.00 0.00 C ATOM 1063 OE1 GLU A 68 8.931 -5.996 4.754 1.00 0.00 O ATOM 1064 OE2 GLU A 68 7.215 -7.298 4.776 1.00 0.00 O ATOM 0 H GLU A 68 7.639 -6.087 0.398 1.00 0.00 H new ATOM 0 HA GLU A 68 6.612 -3.382 1.084 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.496 -4.139 3.436 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.006 -4.831 2.826 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.012 -6.911 2.320 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.617 -6.222 2.176 1.00 0.00 H new ATOM 1071 N CYS A 69 8.815 -2.319 1.787 1.00 0.00 N ATOM 1072 CA CYS A 69 10.099 -1.568 1.847 1.00 0.00 C ATOM 1073 C CYS A 69 10.393 -1.197 3.301 1.00 0.00 C ATOM 1074 O CYS A 69 9.701 -0.380 3.886 1.00 0.00 O ATOM 1075 CB CYS A 69 9.962 -0.293 1.013 1.00 0.00 C ATOM 1076 SG CYS A 69 10.575 -0.585 -0.666 1.00 0.00 S ATOM 0 H CYS A 69 8.016 -1.818 2.177 1.00 0.00 H new ATOM 0 HA CYS A 69 10.912 -2.180 1.456 1.00 0.00 H new ATOM 0 HB2 CYS A 69 8.918 0.019 0.979 1.00 0.00 H new ATOM 0 HB3 CYS A 69 10.522 0.518 1.478 1.00 0.00 H new ATOM 1081 N ASN A 70 11.412 -1.797 3.883 1.00 0.00 N ATOM 1082 CA ASN A 70 11.770 -1.499 5.307 1.00 0.00 C ATOM 1083 C ASN A 70 13.004 -0.595 5.352 1.00 0.00 C ATOM 1084 O ASN A 70 14.005 -0.872 4.711 1.00 0.00 O ATOM 1085 CB ASN A 70 12.079 -2.807 6.043 1.00 0.00 C ATOM 1086 CG ASN A 70 10.794 -3.613 6.234 1.00 0.00 C ATOM 1087 OD1 ASN A 70 10.754 -4.790 5.932 1.00 0.00 O ATOM 1088 ND2 ASN A 70 9.739 -3.032 6.734 1.00 0.00 N ATOM 0 H ASN A 70 12.012 -2.484 3.426 1.00 0.00 H new ATOM 0 HA ASN A 70 10.931 -0.995 5.788 1.00 0.00 H new ATOM 0 HB2 ASN A 70 12.804 -3.391 5.476 1.00 0.00 H new ATOM 0 HB3 ASN A 70 12.531 -2.592 7.011 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.880 -3.565 6.872 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.773 -2.045 6.987 1.00 0.00 H new ATOM 1095 N VAL A 71 12.931 0.475 6.118 1.00 0.00 N ATOM 1096 CA VAL A 71 14.088 1.414 6.244 1.00 0.00 C ATOM 1097 C VAL A 71 15.235 0.676 6.949 1.00 0.00 C ATOM 1098 O VAL A 71 15.107 0.279 8.096 1.00 0.00 O ATOM 1099 CB VAL A 71 13.639 2.649 7.058 1.00 0.00 C ATOM 1100 CG1 VAL A 71 14.839 3.471 7.537 1.00 0.00 C ATOM 1101 CG2 VAL A 71 12.769 3.537 6.173 1.00 0.00 C ATOM 0 H VAL A 71 12.110 0.735 6.664 1.00 0.00 H new ATOM 0 HA VAL A 71 14.432 1.750 5.266 1.00 0.00 H new ATOM 0 HB VAL A 71 13.086 2.298 7.929 1.00 0.00 H new ATOM 0 HG11 VAL A 71 14.487 4.332 8.106 1.00 0.00 H new ATOM 0 HG12 VAL A 71 15.474 2.852 8.171 1.00 0.00 H new ATOM 0 HG13 VAL A 71 15.411 3.815 6.676 1.00 0.00 H new ATOM 0 HG21 VAL A 71 12.447 4.411 6.739 1.00 0.00 H new ATOM 0 HG22 VAL A 71 13.343 3.858 5.304 1.00 0.00 H new ATOM 0 HG23 VAL A 71 11.894 2.976 5.843 1.00 0.00 H new ATOM 1111 N LYS A 72 16.344 0.492 6.263 1.00 0.00 N ATOM 1112 CA LYS A 72 17.513 -0.221 6.866 1.00 0.00 C ATOM 1113 C LYS A 72 18.047 0.585 8.068 1.00 0.00 C ATOM 1114 O LYS A 72 18.039 1.802 8.023 1.00 0.00 O ATOM 1115 CB LYS A 72 18.618 -0.359 5.817 1.00 0.00 C ATOM 1116 CG LYS A 72 18.128 -1.254 4.677 1.00 0.00 C ATOM 1117 CD LYS A 72 19.331 -1.914 3.999 1.00 0.00 C ATOM 1118 CE LYS A 72 19.974 -0.937 3.009 1.00 0.00 C ATOM 1119 NZ LYS A 72 19.798 -1.453 1.623 1.00 0.00 N ATOM 0 H LYS A 72 16.486 0.809 5.304 1.00 0.00 H new ATOM 0 HA LYS A 72 17.201 -1.210 7.203 1.00 0.00 H new ATOM 0 HB2 LYS A 72 18.893 0.623 5.431 1.00 0.00 H new ATOM 0 HB3 LYS A 72 19.513 -0.785 6.270 1.00 0.00 H new ATOM 0 HG2 LYS A 72 17.450 -2.016 5.063 1.00 0.00 H new ATOM 0 HG3 LYS A 72 17.566 -0.665 3.953 1.00 0.00 H new ATOM 0 HD2 LYS A 72 20.061 -2.218 4.749 1.00 0.00 H new ATOM 0 HD3 LYS A 72 19.015 -2.818 3.478 1.00 0.00 H new ATOM 0 HE2 LYS A 72 19.517 0.048 3.103 1.00 0.00 H new ATOM 0 HE3 LYS A 72 21.034 -0.819 3.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 20.233 -0.792 0.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 20.254 -2.384 1.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 18.784 -1.544 1.413 1.00 0.00 H new ATOM 1133 N PRO A 73 18.499 -0.106 9.115 1.00 0.00 N ATOM 1134 CA PRO A 73 19.036 0.554 10.322 1.00 0.00 C ATOM 1135 C PRO A 73 20.486 0.982 10.085 1.00 0.00 C ATOM 1136 O PRO A 73 21.157 0.451 9.216 1.00 0.00 O ATOM 1137 CB PRO A 73 18.966 -0.535 11.395 1.00 0.00 C ATOM 1138 CG PRO A 73 18.951 -1.887 10.645 1.00 0.00 C ATOM 1139 CD PRO A 73 18.517 -1.590 9.199 1.00 0.00 C ATOM 0 HA PRO A 73 18.486 1.453 10.599 1.00 0.00 H new ATOM 0 HB2 PRO A 73 19.822 -0.473 12.067 1.00 0.00 H new ATOM 0 HB3 PRO A 73 18.071 -0.420 12.007 1.00 0.00 H new ATOM 0 HG2 PRO A 73 19.937 -2.351 10.665 1.00 0.00 H new ATOM 0 HG3 PRO A 73 18.261 -2.585 11.120 1.00 0.00 H new ATOM 0 HD2 PRO A 73 19.213 -2.020 8.479 1.00 0.00 H new ATOM 0 HD3 PRO A 73 17.535 -2.012 8.984 1.00 0.00 H new ATOM 1147 N ARG A 74 20.961 1.944 10.851 1.00 0.00 N ATOM 1148 CA ARG A 74 22.366 2.439 10.692 1.00 0.00 C ATOM 1149 C ARG A 74 22.552 2.985 9.270 1.00 0.00 C ATOM 1150 O ARG A 74 23.653 3.007 8.741 1.00 0.00 O ATOM 1151 CB ARG A 74 23.347 1.288 10.952 1.00 0.00 C ATOM 1152 CG ARG A 74 23.506 1.084 12.460 1.00 0.00 C ATOM 1153 CD ARG A 74 24.226 -0.240 12.721 1.00 0.00 C ATOM 1154 NE ARG A 74 25.554 -0.226 12.048 1.00 0.00 N ATOM 1155 CZ ARG A 74 26.011 -1.310 11.484 1.00 0.00 C ATOM 1156 NH1 ARG A 74 25.647 -1.617 10.268 1.00 0.00 N ATOM 1157 NH2 ARG A 74 26.828 -2.090 12.137 1.00 0.00 N ATOM 0 H ARG A 74 20.427 2.409 11.585 1.00 0.00 H new ATOM 0 HA ARG A 74 22.561 3.237 11.409 1.00 0.00 H new ATOM 0 HB2 ARG A 74 22.981 0.372 10.487 1.00 0.00 H new ATOM 0 HB3 ARG A 74 24.314 1.511 10.500 1.00 0.00 H new ATOM 0 HG2 ARG A 74 24.072 1.909 12.892 1.00 0.00 H new ATOM 0 HG3 ARG A 74 22.529 1.080 12.943 1.00 0.00 H new ATOM 0 HD2 ARG A 74 24.352 -0.392 13.793 1.00 0.00 H new ATOM 0 HD3 ARG A 74 23.627 -1.071 12.349 1.00 0.00 H new ATOM 0 HE ARG A 74 26.107 0.631 12.028 1.00 0.00 H new ATOM 0 HH11 ARG A 74 25.005 -1.009 9.759 1.00 0.00 H new ATOM 0 HH12 ARG A 74 26.004 -2.465 9.827 1.00 0.00 H new ATOM 0 HH21 ARG A 74 27.109 -1.852 13.088 1.00 0.00 H new ATOM 0 HH22 ARG A 74 27.185 -2.938 11.696 1.00 0.00 H new ATOM 1171 N LYS A 75 21.473 3.435 8.660 1.00 0.00 N ATOM 1172 CA LYS A 75 21.542 3.996 7.276 1.00 0.00 C ATOM 1173 C LYS A 75 20.542 5.169 7.163 1.00 0.00 C ATOM 1174 O LYS A 75 19.397 5.011 7.551 1.00 0.00 O ATOM 1175 CB LYS A 75 21.174 2.905 6.267 1.00 0.00 C ATOM 1176 CG LYS A 75 22.421 2.084 5.926 1.00 0.00 C ATOM 1177 CD LYS A 75 22.069 1.038 4.865 1.00 0.00 C ATOM 1178 CE LYS A 75 23.023 -0.152 4.981 1.00 0.00 C ATOM 1179 NZ LYS A 75 24.415 0.295 4.691 1.00 0.00 N ATOM 0 H LYS A 75 20.540 3.435 9.072 1.00 0.00 H new ATOM 0 HA LYS A 75 22.551 4.351 7.067 1.00 0.00 H new ATOM 0 HB2 LYS A 75 20.401 2.257 6.681 1.00 0.00 H new ATOM 0 HB3 LYS A 75 20.763 3.354 5.363 1.00 0.00 H new ATOM 0 HG2 LYS A 75 23.211 2.739 5.558 1.00 0.00 H new ATOM 0 HG3 LYS A 75 22.803 1.595 6.822 1.00 0.00 H new ATOM 0 HD2 LYS A 75 21.039 0.705 4.995 1.00 0.00 H new ATOM 0 HD3 LYS A 75 22.139 1.477 3.870 1.00 0.00 H new ATOM 0 HE2 LYS A 75 22.968 -0.579 5.982 1.00 0.00 H new ATOM 0 HE3 LYS A 75 22.729 -0.936 4.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 25.025 -0.536 4.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 24.420 0.876 3.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 24.773 0.857 5.490 1.00 0.00 H new ATOM 1193 N PRO A 76 20.988 6.318 6.654 1.00 0.00 N ATOM 1194 CA PRO A 76 20.119 7.511 6.519 1.00 0.00 C ATOM 1195 C PRO A 76 19.189 7.391 5.304 1.00 0.00 C ATOM 1196 O PRO A 76 19.635 7.364 4.170 1.00 0.00 O ATOM 1197 CB PRO A 76 21.109 8.663 6.332 1.00 0.00 C ATOM 1198 CG PRO A 76 22.419 8.037 5.803 1.00 0.00 C ATOM 1199 CD PRO A 76 22.376 6.545 6.175 1.00 0.00 C ATOM 0 HA PRO A 76 19.463 7.647 7.379 1.00 0.00 H new ATOM 0 HB2 PRO A 76 20.719 9.399 5.628 1.00 0.00 H new ATOM 0 HB3 PRO A 76 21.281 9.183 7.274 1.00 0.00 H new ATOM 0 HG2 PRO A 76 22.501 8.165 4.724 1.00 0.00 H new ATOM 0 HG3 PRO A 76 23.288 8.522 6.248 1.00 0.00 H new ATOM 0 HD2 PRO A 76 22.607 5.915 5.316 1.00 0.00 H new ATOM 0 HD3 PRO A 76 23.106 6.308 6.949 1.00 0.00 H new ATOM 1207 N CYS A 77 17.895 7.336 5.553 1.00 0.00 N ATOM 1208 CA CYS A 77 16.870 7.237 4.454 1.00 0.00 C ATOM 1209 C CYS A 77 17.283 6.207 3.381 1.00 0.00 C ATOM 1210 O CYS A 77 17.772 6.554 2.313 1.00 0.00 O ATOM 1211 CB CYS A 77 16.674 8.621 3.819 1.00 0.00 C ATOM 1212 SG CYS A 77 15.372 9.513 4.707 1.00 0.00 S ATOM 0 H CYS A 77 17.499 7.356 6.493 1.00 0.00 H new ATOM 0 HA CYS A 77 15.931 6.894 4.888 1.00 0.00 H new ATOM 0 HB2 CYS A 77 17.606 9.185 3.855 1.00 0.00 H new ATOM 0 HB3 CYS A 77 16.406 8.516 2.768 1.00 0.00 H new ATOM 1217 N LYS A 78 17.071 4.942 3.670 1.00 0.00 N ATOM 1218 CA LYS A 78 17.410 3.849 2.706 1.00 0.00 C ATOM 1219 C LYS A 78 16.376 2.730 2.853 1.00 0.00 C ATOM 1220 O LYS A 78 16.129 2.256 3.949 1.00 0.00 O ATOM 1221 CB LYS A 78 18.810 3.318 3.010 1.00 0.00 C ATOM 1222 CG LYS A 78 19.848 4.186 2.284 1.00 0.00 C ATOM 1223 CD LYS A 78 20.864 4.734 3.288 1.00 0.00 C ATOM 1224 CE LYS A 78 21.566 5.952 2.686 1.00 0.00 C ATOM 1225 NZ LYS A 78 22.553 5.502 1.664 1.00 0.00 N ATOM 0 H LYS A 78 16.670 4.618 4.550 1.00 0.00 H new ATOM 0 HA LYS A 78 17.395 4.228 1.684 1.00 0.00 H new ATOM 0 HB2 LYS A 78 18.993 3.334 4.084 1.00 0.00 H new ATOM 0 HB3 LYS A 78 18.896 2.280 2.687 1.00 0.00 H new ATOM 0 HG2 LYS A 78 20.358 3.597 1.522 1.00 0.00 H new ATOM 0 HG3 LYS A 78 19.351 5.009 1.771 1.00 0.00 H new ATOM 0 HD2 LYS A 78 20.363 5.011 4.215 1.00 0.00 H new ATOM 0 HD3 LYS A 78 21.595 3.966 3.538 1.00 0.00 H new ATOM 0 HE2 LYS A 78 20.834 6.619 2.231 1.00 0.00 H new ATOM 0 HE3 LYS A 78 22.070 6.519 3.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 23.031 6.330 1.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 23.258 4.882 2.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 22.060 4.979 0.912 1.00 0.00 H new ATOM 1239 N TYR A 79 15.756 2.332 1.761 1.00 0.00 N ATOM 1240 CA TYR A 79 14.703 1.266 1.817 1.00 0.00 C ATOM 1241 C TYR A 79 15.278 -0.099 1.428 1.00 0.00 C ATOM 1242 O TYR A 79 16.284 -0.195 0.744 1.00 0.00 O ATOM 1243 CB TYR A 79 13.575 1.620 0.844 1.00 0.00 C ATOM 1244 CG TYR A 79 12.493 2.415 1.546 1.00 0.00 C ATOM 1245 CD1 TYR A 79 11.972 1.984 2.775 1.00 0.00 C ATOM 1246 CD2 TYR A 79 11.998 3.577 0.950 1.00 0.00 C ATOM 1247 CE1 TYR A 79 10.958 2.719 3.399 1.00 0.00 C ATOM 1248 CE2 TYR A 79 10.986 4.313 1.578 1.00 0.00 C ATOM 1249 CZ TYR A 79 10.466 3.883 2.801 1.00 0.00 C ATOM 1250 OH TYR A 79 9.464 4.606 3.416 1.00 0.00 O ATOM 0 H TYR A 79 15.938 2.704 0.829 1.00 0.00 H new ATOM 0 HA TYR A 79 14.327 1.210 2.839 1.00 0.00 H new ATOM 0 HB2 TYR A 79 13.975 2.197 0.010 1.00 0.00 H new ATOM 0 HB3 TYR A 79 13.150 0.708 0.425 1.00 0.00 H new ATOM 0 HD1 TYR A 79 12.353 1.086 3.239 1.00 0.00 H new ATOM 0 HD2 TYR A 79 12.397 3.909 0.003 1.00 0.00 H new ATOM 0 HE1 TYR A 79 10.555 2.387 4.344 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.607 5.213 1.117 1.00 0.00 H new ATOM 0 HH TYR A 79 8.897 4.001 3.939 1.00 0.00 H new ATOM 1260 N LYS A 80 14.611 -1.150 1.858 1.00 0.00 N ATOM 1261 CA LYS A 80 15.043 -2.546 1.536 1.00 0.00 C ATOM 1262 C LYS A 80 13.819 -3.319 1.036 1.00 0.00 C ATOM 1263 O LYS A 80 12.790 -3.342 1.692 1.00 0.00 O ATOM 1264 CB LYS A 80 15.604 -3.217 2.797 1.00 0.00 C ATOM 1265 CG LYS A 80 16.866 -4.009 2.444 1.00 0.00 C ATOM 1266 CD LYS A 80 16.502 -5.161 1.500 1.00 0.00 C ATOM 1267 CE LYS A 80 17.588 -6.243 1.550 1.00 0.00 C ATOM 1268 NZ LYS A 80 16.991 -7.522 2.028 1.00 0.00 N ATOM 0 H LYS A 80 13.769 -1.093 2.430 1.00 0.00 H new ATOM 0 HA LYS A 80 15.820 -2.536 0.772 1.00 0.00 H new ATOM 0 HB2 LYS A 80 15.835 -2.463 3.549 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.856 -3.881 3.230 1.00 0.00 H new ATOM 0 HG2 LYS A 80 17.598 -3.355 1.970 1.00 0.00 H new ATOM 0 HG3 LYS A 80 17.328 -4.400 3.351 1.00 0.00 H new ATOM 0 HD2 LYS A 80 15.540 -5.586 1.786 1.00 0.00 H new ATOM 0 HD3 LYS A 80 16.396 -4.788 0.481 1.00 0.00 H new ATOM 0 HE2 LYS A 80 18.026 -6.380 0.561 1.00 0.00 H new ATOM 0 HE3 LYS A 80 18.394 -5.934 2.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 17.726 -8.257 2.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 16.593 -7.385 2.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 16.236 -7.818 1.376 1.00 0.00 H new ATOM 1282 N LEU A 81 13.916 -3.925 -0.129 1.00 0.00 N ATOM 1283 CA LEU A 81 12.756 -4.677 -0.706 1.00 0.00 C ATOM 1284 C LEU A 81 12.637 -6.068 -0.076 1.00 0.00 C ATOM 1285 O LEU A 81 13.626 -6.740 0.163 1.00 0.00 O ATOM 1286 CB LEU A 81 12.954 -4.812 -2.223 1.00 0.00 C ATOM 1287 CG LEU A 81 11.638 -4.529 -2.964 1.00 0.00 C ATOM 1288 CD1 LEU A 81 10.564 -5.526 -2.518 1.00 0.00 C ATOM 1289 CD2 LEU A 81 11.167 -3.101 -2.667 1.00 0.00 C ATOM 0 H LEU A 81 14.757 -3.929 -0.706 1.00 0.00 H new ATOM 0 HA LEU A 81 11.839 -4.128 -0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 81 13.724 -4.117 -2.559 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.304 -5.816 -2.462 1.00 0.00 H new ATOM 0 HG LEU A 81 11.806 -4.636 -4.036 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.634 -5.320 -3.047 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.893 -6.540 -2.744 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.400 -5.428 -1.445 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.234 -2.908 -3.196 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.007 -2.986 -1.595 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.925 -2.391 -2.999 1.00 0.00 H new ATOM 1301 N LYS A 82 11.414 -6.495 0.172 1.00 0.00 N ATOM 1302 CA LYS A 82 11.162 -7.845 0.767 1.00 0.00 C ATOM 1303 C LYS A 82 9.864 -8.398 0.175 1.00 0.00 C ATOM 1304 O LYS A 82 8.946 -7.646 -0.109 1.00 0.00 O ATOM 1305 CB LYS A 82 11.026 -7.728 2.288 1.00 0.00 C ATOM 1306 CG LYS A 82 11.498 -9.026 2.951 1.00 0.00 C ATOM 1307 CD LYS A 82 12.935 -8.855 3.450 1.00 0.00 C ATOM 1308 CE LYS A 82 13.471 -10.202 3.945 1.00 0.00 C ATOM 1309 NZ LYS A 82 13.890 -11.045 2.782 1.00 0.00 N ATOM 0 H LYS A 82 10.571 -5.953 -0.018 1.00 0.00 H new ATOM 0 HA LYS A 82 11.994 -8.512 0.541 1.00 0.00 H new ATOM 0 HB2 LYS A 82 11.617 -6.887 2.652 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.988 -7.528 2.556 1.00 0.00 H new ATOM 0 HG2 LYS A 82 10.841 -9.281 3.783 1.00 0.00 H new ATOM 0 HG3 LYS A 82 11.445 -9.850 2.239 1.00 0.00 H new ATOM 0 HD2 LYS A 82 13.566 -8.474 2.647 1.00 0.00 H new ATOM 0 HD3 LYS A 82 12.966 -8.122 4.256 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.318 -10.043 4.613 1.00 0.00 H new ATOM 0 HE3 LYS A 82 12.703 -10.719 4.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.345 -11.913 3.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 13.054 -11.295 2.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 14.562 -10.514 2.192 1.00 0.00 H new ATOM 1323 N LYS A 83 9.790 -9.698 -0.025 1.00 0.00 N ATOM 1324 CA LYS A 83 8.557 -10.314 -0.617 1.00 0.00 C ATOM 1325 C LYS A 83 7.901 -11.266 0.389 1.00 0.00 C ATOM 1326 O LYS A 83 8.580 -11.991 1.098 1.00 0.00 O ATOM 1327 CB LYS A 83 8.937 -11.094 -1.878 1.00 0.00 C ATOM 1328 CG LYS A 83 10.029 -12.113 -1.542 1.00 0.00 C ATOM 1329 CD LYS A 83 10.247 -13.048 -2.736 1.00 0.00 C ATOM 1330 CE LYS A 83 11.733 -13.400 -2.847 1.00 0.00 C ATOM 1331 NZ LYS A 83 11.917 -14.473 -3.865 1.00 0.00 N ATOM 0 H LYS A 83 10.534 -10.359 0.198 1.00 0.00 H new ATOM 0 HA LYS A 83 7.851 -9.522 -0.867 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.061 -11.604 -2.280 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.290 -10.409 -2.649 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.958 -11.598 -1.297 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.743 -12.690 -0.663 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.656 -13.956 -2.613 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.907 -12.568 -3.654 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.307 -12.516 -3.127 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.112 -13.733 -1.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.927 -14.711 -3.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.382 -15.318 -3.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.571 -14.140 -4.787 1.00 0.00 H new ATOM 1345 N SER A 84 6.583 -11.263 0.442 1.00 0.00 N ATOM 1346 CA SER A 84 5.844 -12.166 1.383 1.00 0.00 C ATOM 1347 C SER A 84 4.387 -12.298 0.934 1.00 0.00 C ATOM 1348 O SER A 84 3.832 -11.389 0.342 1.00 0.00 O ATOM 1349 CB SER A 84 5.884 -11.586 2.795 1.00 0.00 C ATOM 1350 OG SER A 84 7.231 -11.315 3.157 1.00 0.00 O ATOM 0 H SER A 84 5.987 -10.667 -0.133 1.00 0.00 H new ATOM 0 HA SER A 84 6.318 -13.147 1.379 1.00 0.00 H new ATOM 0 HB2 SER A 84 5.293 -10.671 2.841 1.00 0.00 H new ATOM 0 HB3 SER A 84 5.441 -12.288 3.501 1.00 0.00 H new ATOM 0 HG SER A 84 7.832 -11.873 2.621 1.00 0.00 H new ATOM 1356 N SER A 85 3.771 -13.422 1.229 1.00 0.00 N ATOM 1357 CA SER A 85 2.339 -13.648 0.846 1.00 0.00 C ATOM 1358 C SER A 85 1.467 -13.508 2.092 1.00 0.00 C ATOM 1359 O SER A 85 1.694 -14.176 3.088 1.00 0.00 O ATOM 1360 CB SER A 85 2.179 -15.055 0.264 1.00 0.00 C ATOM 1361 OG SER A 85 2.919 -15.978 1.053 1.00 0.00 O ATOM 0 H SER A 85 4.206 -14.200 1.725 1.00 0.00 H new ATOM 0 HA SER A 85 2.036 -12.915 0.098 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.126 -15.336 0.247 1.00 0.00 H new ATOM 0 HB3 SER A 85 2.531 -15.076 -0.767 1.00 0.00 H new ATOM 0 HG SER A 85 2.813 -15.756 2.002 1.00 0.00 H new ATOM 1367 N ASN A 86 0.480 -12.636 2.042 1.00 0.00 N ATOM 1368 CA ASN A 86 -0.416 -12.426 3.225 1.00 0.00 C ATOM 1369 C ASN A 86 -1.622 -11.574 2.822 1.00 0.00 C ATOM 1370 O ASN A 86 -1.663 -11.016 1.738 1.00 0.00 O ATOM 1371 CB ASN A 86 0.372 -11.707 4.322 1.00 0.00 C ATOM 1372 CG ASN A 86 -0.233 -12.025 5.689 1.00 0.00 C ATOM 1373 OD1 ASN A 86 -0.028 -13.097 6.224 1.00 0.00 O ATOM 1374 ND2 ASN A 86 -0.978 -11.132 6.277 1.00 0.00 N ATOM 0 H ASN A 86 0.259 -12.061 1.229 1.00 0.00 H new ATOM 0 HA ASN A 86 -0.769 -13.390 3.590 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.416 -12.018 4.295 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.355 -10.631 4.148 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -1.391 -11.332 7.188 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.149 -10.233 5.826 1.00 0.00 H new ATOM 1381 N ARG A 87 -2.600 -11.474 3.701 1.00 0.00 N ATOM 1382 CA ARG A 87 -3.825 -10.661 3.414 1.00 0.00 C ATOM 1383 C ARG A 87 -3.594 -9.218 3.876 1.00 0.00 C ATOM 1384 O ARG A 87 -2.576 -8.915 4.481 1.00 0.00 O ATOM 1385 CB ARG A 87 -5.016 -11.262 4.165 1.00 0.00 C ATOM 1386 CG ARG A 87 -5.306 -12.660 3.613 1.00 0.00 C ATOM 1387 CD ARG A 87 -6.693 -13.114 4.067 1.00 0.00 C ATOM 1388 NE ARG A 87 -6.610 -13.645 5.457 1.00 0.00 N ATOM 1389 CZ ARG A 87 -7.391 -14.621 5.831 1.00 0.00 C ATOM 1390 NH1 ARG A 87 -8.648 -14.386 6.095 1.00 0.00 N ATOM 1391 NH2 ARG A 87 -6.916 -15.832 5.938 1.00 0.00 N ATOM 0 H ARG A 87 -2.597 -11.928 4.614 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.032 -10.668 2.344 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -4.798 -11.317 5.232 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.892 -10.624 4.051 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.254 -12.650 2.524 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.550 -13.364 3.962 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.392 -12.279 4.026 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.074 -13.882 3.395 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.942 -13.245 6.116 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -9.019 -13.440 6.009 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.259 -15.149 6.387 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.935 -16.015 5.729 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.526 -16.595 6.230 1.00 0.00 H new ATOM 1405 N ILE A 88 -4.528 -8.330 3.594 1.00 0.00 N ATOM 1406 CA ILE A 88 -4.368 -6.899 4.009 1.00 0.00 C ATOM 1407 C ILE A 88 -5.731 -6.289 4.328 1.00 0.00 C ATOM 1408 O ILE A 88 -6.704 -6.518 3.628 1.00 0.00 O ATOM 1409 CB ILE A 88 -3.704 -6.102 2.882 1.00 0.00 C ATOM 1410 CG1 ILE A 88 -4.425 -6.372 1.558 1.00 0.00 C ATOM 1411 CG2 ILE A 88 -2.239 -6.523 2.760 1.00 0.00 C ATOM 1412 CD1 ILE A 88 -4.333 -5.137 0.660 1.00 0.00 C ATOM 0 H ILE A 88 -5.392 -8.539 3.094 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.741 -6.860 4.900 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.763 -5.038 3.110 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.978 -7.231 1.058 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.470 -6.620 1.746 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.763 -5.958 1.959 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.724 -6.324 3.700 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.184 -7.588 2.535 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.847 -5.332 -0.281 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -4.801 -4.288 1.159 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.286 -4.909 0.461 1.00 0.00 H new ATOM 1424 N CYS A 89 -5.788 -5.508 5.382 1.00 0.00 N ATOM 1425 CA CYS A 89 -7.060 -4.842 5.795 1.00 0.00 C ATOM 1426 C CYS A 89 -6.949 -3.350 5.488 1.00 0.00 C ATOM 1427 O CYS A 89 -6.058 -2.680 5.986 1.00 0.00 O ATOM 1428 CB CYS A 89 -7.267 -5.044 7.298 1.00 0.00 C ATOM 1429 SG CYS A 89 -8.969 -4.627 7.742 1.00 0.00 S ATOM 0 H CYS A 89 -4.990 -5.302 5.983 1.00 0.00 H new ATOM 0 HA CYS A 89 -7.905 -5.269 5.255 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -7.054 -6.078 7.568 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -6.572 -4.418 7.858 1.00 0.00 H new ATOM 0 HG CYS A 89 -9.140 -4.802 9.019 1.00 0.00 H new ATOM 1434 N ILE A 90 -7.834 -2.833 4.660 1.00 0.00 N ATOM 1435 CA ILE A 90 -7.781 -1.380 4.293 1.00 0.00 C ATOM 1436 C ILE A 90 -9.122 -0.703 4.584 1.00 0.00 C ATOM 1437 O ILE A 90 -10.135 -1.364 4.744 1.00 0.00 O ATOM 1438 CB ILE A 90 -7.456 -1.249 2.805 1.00 0.00 C ATOM 1439 CG1 ILE A 90 -8.466 -2.069 1.988 1.00 0.00 C ATOM 1440 CG2 ILE A 90 -6.038 -1.768 2.541 1.00 0.00 C ATOM 1441 CD1 ILE A 90 -8.206 -1.876 0.489 1.00 0.00 C ATOM 0 H ILE A 90 -8.591 -3.358 4.223 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.008 -0.893 4.888 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.516 -0.201 2.510 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -8.384 -3.125 2.247 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -9.482 -1.758 2.232 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -5.808 -1.674 1.480 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.323 -1.184 3.121 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.973 -2.816 2.835 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -8.926 -2.461 -0.083 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.311 -0.821 0.234 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.196 -2.209 0.249 1.00 0.00 H new ATOM 1453 N ARG A 91 -9.124 0.616 4.639 1.00 0.00 N ATOM 1454 CA ARG A 91 -10.381 1.375 4.903 1.00 0.00 C ATOM 1455 C ARG A 91 -10.864 1.976 3.585 1.00 0.00 C ATOM 1456 O ARG A 91 -10.147 2.730 2.944 1.00 0.00 O ATOM 1457 CB ARG A 91 -10.110 2.485 5.920 1.00 0.00 C ATOM 1458 CG ARG A 91 -11.423 3.182 6.282 1.00 0.00 C ATOM 1459 CD ARG A 91 -12.228 2.288 7.227 1.00 0.00 C ATOM 1460 NE ARG A 91 -11.799 2.533 8.633 1.00 0.00 N ATOM 1461 CZ ARG A 91 -12.044 1.640 9.551 1.00 0.00 C ATOM 1462 NH1 ARG A 91 -13.276 1.384 9.899 1.00 0.00 N ATOM 1463 NH2 ARG A 91 -11.059 1.002 10.120 1.00 0.00 N ATOM 0 H ARG A 91 -8.295 1.197 4.510 1.00 0.00 H new ATOM 0 HA ARG A 91 -11.145 0.712 5.310 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.650 2.067 6.815 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -9.406 3.207 5.507 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -11.219 4.142 6.757 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -11.999 3.388 5.380 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -13.293 2.494 7.120 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.079 1.240 6.968 1.00 0.00 H new ATOM 0 HE ARG A 91 -11.315 3.397 8.877 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -14.046 1.882 9.453 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -13.468 0.686 10.617 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -10.097 1.202 9.847 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -11.251 0.304 10.838 1.00 0.00 H new ATOM 1477 N CYS A 92 -12.062 1.621 3.166 1.00 0.00 N ATOM 1478 CA CYS A 92 -12.600 2.135 1.869 1.00 0.00 C ATOM 1479 C CYS A 92 -13.849 2.988 2.092 1.00 0.00 C ATOM 1480 O CYS A 92 -14.685 2.684 2.926 1.00 0.00 O ATOM 1481 CB CYS A 92 -12.956 0.953 0.968 1.00 0.00 C ATOM 1482 SG CYS A 92 -13.202 1.548 -0.721 1.00 0.00 S ATOM 0 H CYS A 92 -12.688 0.995 3.672 1.00 0.00 H new ATOM 0 HA CYS A 92 -11.836 2.754 1.400 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -12.160 0.209 0.992 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -13.860 0.464 1.330 1.00 0.00 H new ATOM 1487 N GLU A 93 -13.973 4.040 1.316 1.00 0.00 N ATOM 1488 CA GLU A 93 -15.158 4.951 1.401 1.00 0.00 C ATOM 1489 C GLU A 93 -15.320 5.631 0.045 1.00 0.00 C ATOM 1490 O GLU A 93 -14.349 5.860 -0.649 1.00 0.00 O ATOM 1491 CB GLU A 93 -14.942 6.006 2.484 1.00 0.00 C ATOM 1492 CG GLU A 93 -13.600 6.709 2.260 1.00 0.00 C ATOM 1493 CD GLU A 93 -13.662 8.127 2.828 1.00 0.00 C ATOM 1494 OE1 GLU A 93 -13.959 8.261 4.005 1.00 0.00 O ATOM 1495 OE2 GLU A 93 -13.412 9.057 2.079 1.00 0.00 O ATOM 0 H GLU A 93 -13.286 4.310 0.612 1.00 0.00 H new ATOM 0 HA GLU A 93 -16.051 4.381 1.656 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -15.753 6.734 2.463 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -14.959 5.539 3.469 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -12.799 6.148 2.742 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -13.369 6.743 1.195 1.00 0.00 H new ATOM 1502 N HIS A 94 -16.538 5.927 -0.345 1.00 0.00 N ATOM 1503 CA HIS A 94 -16.786 6.567 -1.677 1.00 0.00 C ATOM 1504 C HIS A 94 -16.248 5.646 -2.788 1.00 0.00 C ATOM 1505 O HIS A 94 -15.985 6.088 -3.891 1.00 0.00 O ATOM 1506 CB HIS A 94 -16.070 7.921 -1.737 1.00 0.00 C ATOM 1507 CG HIS A 94 -17.016 9.013 -1.310 1.00 0.00 C ATOM 1508 ND1 HIS A 94 -18.232 9.226 -1.939 1.00 0.00 N ATOM 1509 CD2 HIS A 94 -16.935 9.961 -0.320 1.00 0.00 C ATOM 1510 CE1 HIS A 94 -18.829 10.264 -1.327 1.00 0.00 C ATOM 1511 NE2 HIS A 94 -18.081 10.750 -0.333 1.00 0.00 N ATOM 0 H HIS A 94 -17.377 5.751 0.207 1.00 0.00 H new ATOM 0 HA HIS A 94 -17.856 6.721 -1.817 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -15.195 7.910 -1.087 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -15.713 8.110 -2.749 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -16.108 10.077 0.365 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -19.796 10.657 -1.605 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -18.302 11.532 0.284 1.00 0.00 H new ATOM 1519 N GLU A 95 -16.096 4.361 -2.492 1.00 0.00 N ATOM 1520 CA GLU A 95 -15.582 3.363 -3.493 1.00 0.00 C ATOM 1521 C GLU A 95 -14.067 3.544 -3.724 1.00 0.00 C ATOM 1522 O GLU A 95 -13.576 3.373 -4.832 1.00 0.00 O ATOM 1523 CB GLU A 95 -16.348 3.494 -4.822 1.00 0.00 C ATOM 1524 CG GLU A 95 -17.853 3.493 -4.553 1.00 0.00 C ATOM 1525 CD GLU A 95 -18.606 3.489 -5.884 1.00 0.00 C ATOM 1526 OE1 GLU A 95 -18.442 4.432 -6.638 1.00 0.00 O ATOM 1527 OE2 GLU A 95 -19.333 2.540 -6.127 1.00 0.00 O ATOM 0 H GLU A 95 -16.313 3.962 -1.579 1.00 0.00 H new ATOM 0 HA GLU A 95 -15.747 2.363 -3.092 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -16.060 4.415 -5.329 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -16.087 2.670 -5.486 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -18.128 2.618 -3.964 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -18.130 4.370 -3.968 1.00 0.00 H new ATOM 1534 N LEU A 96 -13.316 3.853 -2.677 1.00 0.00 N ATOM 1535 CA LEU A 96 -11.829 4.007 -2.829 1.00 0.00 C ATOM 1536 C LEU A 96 -11.118 3.835 -1.462 1.00 0.00 C ATOM 1537 O LEU A 96 -11.516 4.456 -0.494 1.00 0.00 O ATOM 1538 CB LEU A 96 -11.497 5.388 -3.418 1.00 0.00 C ATOM 1539 CG LEU A 96 -12.028 6.513 -2.513 1.00 0.00 C ATOM 1540 CD1 LEU A 96 -10.901 7.502 -2.196 1.00 0.00 C ATOM 1541 CD2 LEU A 96 -13.160 7.255 -3.227 1.00 0.00 C ATOM 0 H LEU A 96 -13.671 4.003 -1.733 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.472 3.232 -3.508 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -10.418 5.488 -3.534 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -11.935 5.479 -4.412 1.00 0.00 H new ATOM 0 HG LEU A 96 -12.401 6.077 -1.586 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -11.284 8.296 -1.555 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -10.092 6.980 -1.684 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -10.524 7.934 -3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -13.535 8.052 -2.584 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -12.785 7.684 -4.156 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -13.968 6.558 -3.450 1.00 0.00 H new ATOM 1553 N PRO A 97 -10.067 3.007 -1.412 1.00 0.00 N ATOM 1554 CA PRO A 97 -9.296 2.783 -0.167 1.00 0.00 C ATOM 1555 C PRO A 97 -8.356 3.962 0.067 1.00 0.00 C ATOM 1556 O PRO A 97 -7.438 4.197 -0.703 1.00 0.00 O ATOM 1557 CB PRO A 97 -8.509 1.503 -0.441 1.00 0.00 C ATOM 1558 CG PRO A 97 -8.416 1.369 -1.977 1.00 0.00 C ATOM 1559 CD PRO A 97 -9.553 2.221 -2.564 1.00 0.00 C ATOM 0 HA PRO A 97 -9.922 2.695 0.721 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -7.516 1.555 0.005 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -9.010 0.638 -0.005 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -7.447 1.715 -2.338 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -8.516 0.327 -2.281 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -9.190 2.873 -3.358 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.334 1.596 -2.997 1.00 0.00 H new ATOM 1567 N VAL A 98 -8.603 4.709 1.115 1.00 0.00 N ATOM 1568 CA VAL A 98 -7.762 5.905 1.429 1.00 0.00 C ATOM 1569 C VAL A 98 -6.791 5.599 2.574 1.00 0.00 C ATOM 1570 O VAL A 98 -5.770 6.254 2.710 1.00 0.00 O ATOM 1571 CB VAL A 98 -8.691 7.054 1.833 1.00 0.00 C ATOM 1572 CG1 VAL A 98 -9.650 7.353 0.682 1.00 0.00 C ATOM 1573 CG2 VAL A 98 -9.507 6.654 3.068 1.00 0.00 C ATOM 0 H VAL A 98 -9.362 4.538 1.775 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.176 6.178 0.552 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.092 7.936 2.062 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -10.314 8.170 0.964 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -9.080 7.638 -0.202 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -10.242 6.465 0.461 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.166 7.475 3.350 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -10.105 5.772 2.839 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -8.831 6.430 3.894 1.00 0.00 H new ATOM 1583 N HIS A 99 -7.113 4.626 3.404 1.00 0.00 N ATOM 1584 CA HIS A 99 -6.223 4.288 4.560 1.00 0.00 C ATOM 1585 C HIS A 99 -6.021 2.777 4.664 1.00 0.00 C ATOM 1586 O HIS A 99 -6.670 2.001 3.982 1.00 0.00 O ATOM 1587 CB HIS A 99 -6.863 4.802 5.851 1.00 0.00 C ATOM 1588 CG HIS A 99 -6.730 6.299 5.917 1.00 0.00 C ATOM 1589 ND1 HIS A 99 -7.744 7.112 6.400 1.00 0.00 N ATOM 1590 CD2 HIS A 99 -5.709 7.145 5.563 1.00 0.00 C ATOM 1591 CE1 HIS A 99 -7.315 8.385 6.323 1.00 0.00 C ATOM 1592 NE2 HIS A 99 -6.080 8.461 5.820 1.00 0.00 N ATOM 0 H HIS A 99 -7.954 4.054 3.327 1.00 0.00 H new ATOM 0 HA HIS A 99 -5.252 4.759 4.406 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -7.915 4.518 5.886 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -6.381 4.345 6.715 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -4.761 6.836 5.148 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -7.898 9.241 6.630 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -5.527 9.303 5.659 1.00 0.00 H new ATOM 1600 N PHE A 100 -5.122 2.374 5.535 1.00 0.00 N ATOM 1601 CA PHE A 100 -4.831 0.921 5.749 1.00 0.00 C ATOM 1602 C PHE A 100 -5.046 0.598 7.229 1.00 0.00 C ATOM 1603 O PHE A 100 -4.442 1.214 8.093 1.00 0.00 O ATOM 1604 CB PHE A 100 -3.380 0.605 5.355 1.00 0.00 C ATOM 1605 CG PHE A 100 -2.447 1.655 5.916 1.00 0.00 C ATOM 1606 CD1 PHE A 100 -2.287 2.875 5.246 1.00 0.00 C ATOM 1607 CD2 PHE A 100 -1.744 1.409 7.100 1.00 0.00 C ATOM 1608 CE1 PHE A 100 -1.426 3.849 5.763 1.00 0.00 C ATOM 1609 CE2 PHE A 100 -0.882 2.384 7.617 1.00 0.00 C ATOM 1610 CZ PHE A 100 -0.723 3.604 6.949 1.00 0.00 C ATOM 0 H PHE A 100 -4.569 3.004 6.116 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.495 0.318 5.130 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -3.100 -0.379 5.730 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -3.289 0.570 4.269 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -2.828 3.064 4.331 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -1.866 0.468 7.615 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.304 4.790 5.247 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.340 2.195 8.532 1.00 0.00 H new ATOM 0 HZ PHE A 100 -0.058 4.356 7.348 1.00 0.00 H new ATOM 1620 N ALA A 101 -5.910 -0.353 7.522 1.00 0.00 N ATOM 1621 CA ALA A 101 -6.194 -0.725 8.946 1.00 0.00 C ATOM 1622 C ALA A 101 -5.022 -1.525 9.514 1.00 0.00 C ATOM 1623 O ALA A 101 -4.547 -1.245 10.603 1.00 0.00 O ATOM 1624 CB ALA A 101 -7.471 -1.568 9.013 1.00 0.00 C ATOM 0 H ALA A 101 -6.432 -0.889 6.829 1.00 0.00 H new ATOM 0 HA ALA A 101 -6.329 0.183 9.534 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.675 -1.837 10.049 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.308 -0.993 8.616 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.340 -2.474 8.422 1.00 0.00 H new ATOM 1630 N GLY A 102 -4.563 -2.515 8.779 1.00 0.00 N ATOM 1631 CA GLY A 102 -3.418 -3.357 9.253 1.00 0.00 C ATOM 1632 C GLY A 102 -3.188 -4.513 8.280 1.00 0.00 C ATOM 1633 O GLY A 102 -3.601 -4.456 7.133 1.00 0.00 O ATOM 0 H GLY A 102 -4.936 -2.775 7.866 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.516 -2.750 9.331 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.628 -3.745 10.250 1.00 0.00 H new ATOM 1637 N VAL A 103 -2.519 -5.552 8.736 1.00 0.00 N ATOM 1638 CA VAL A 103 -2.228 -6.729 7.861 1.00 0.00 C ATOM 1639 C VAL A 103 -2.709 -8.023 8.535 1.00 0.00 C ATOM 1640 O VAL A 103 -2.793 -8.102 9.751 1.00 0.00 O ATOM 1641 CB VAL A 103 -0.713 -6.792 7.614 1.00 0.00 C ATOM 1642 CG1 VAL A 103 0.036 -6.963 8.943 1.00 0.00 C ATOM 1643 CG2 VAL A 103 -0.385 -7.969 6.689 1.00 0.00 C ATOM 0 H VAL A 103 -2.161 -5.631 9.688 1.00 0.00 H new ATOM 0 HA VAL A 103 -2.754 -6.623 6.912 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.397 -5.861 7.144 1.00 0.00 H new ATOM 0 HG11 VAL A 103 1.108 -7.006 8.753 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.183 -6.118 9.596 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.285 -7.887 9.425 1.00 0.00 H new ATOM 0 HG21 VAL A 103 0.691 -8.008 6.518 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -0.713 -8.899 7.153 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.899 -7.838 5.737 1.00 0.00 H new ATOM 1653 N GLY A 104 -3.008 -9.031 7.742 1.00 0.00 N ATOM 1654 CA GLY A 104 -3.472 -10.344 8.293 1.00 0.00 C ATOM 1655 C GLY A 104 -4.969 -10.292 8.594 1.00 0.00 C ATOM 1656 O GLY A 104 -5.787 -10.640 7.757 1.00 0.00 O ATOM 0 H GLY A 104 -2.948 -8.996 6.724 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -3.265 -11.140 7.578 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.919 -10.581 9.202 1.00 0.00 H new ATOM 1660 N ILE A 105 -5.324 -9.876 9.790 1.00 0.00 N ATOM 1661 CA ILE A 105 -6.765 -9.807 10.186 1.00 0.00 C ATOM 1662 C ILE A 105 -7.106 -8.399 10.684 1.00 0.00 C ATOM 1663 O ILE A 105 -6.230 -7.579 10.902 1.00 0.00 O ATOM 1664 CB ILE A 105 -7.035 -10.820 11.304 1.00 0.00 C ATOM 1665 CG1 ILE A 105 -6.005 -10.640 12.424 1.00 0.00 C ATOM 1666 CG2 ILE A 105 -6.932 -12.240 10.743 1.00 0.00 C ATOM 1667 CD1 ILE A 105 -6.488 -11.365 13.682 1.00 0.00 C ATOM 0 H ILE A 105 -4.668 -9.579 10.513 1.00 0.00 H new ATOM 0 HA ILE A 105 -7.384 -10.040 9.320 1.00 0.00 H new ATOM 0 HB ILE A 105 -8.036 -10.657 11.703 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -5.039 -11.036 12.111 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -5.862 -9.580 12.634 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -7.124 -12.960 11.538 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -7.667 -12.372 9.949 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -5.931 -12.401 10.342 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -5.756 -11.237 14.479 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -7.444 -10.948 13.998 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -6.608 -12.427 13.466 1.00 0.00 H new