USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 849 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= -0.0766 K(o=-0.62,f=-5) USER MOD Set 1.2: A 99 HIS : no HE2:sc= -0.546 K(o=-0.62,f=-3.6!) USER MOD Set 2.1: A 10 LYS NZ :NH3+ 157:sc= -0.048 (180deg=-0.263) USER MOD Set 2.2: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -150:sc= 0.135 USER MOD Single : A 8 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.076) USER MOD Single : A 9 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0289) USER MOD Single : A 11 HIS : no HD1:sc= -0.0465 K(o=-0.046,f=-2.1) USER MOD Single : A 13 THR OG1 : rot 22:sc= 0.378 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.817 K(o=-0.82,f=-2.8!) USER MOD Single : A 24 MET CE :methyl 153:sc= -6.26! (180deg=-10.2!) USER MOD Single : A 26 THR OG1 : rot 79:sc= -0.011! 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 35 ASN : amide:sc= -5.74! C(o=-5.7!,f=-11!) 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 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 50:sc= -0.0601 USER MOD Single : A 60 SER OG : rot 99:sc= -2.72 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) 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= -1.36 X(o=-1.4,f=-1.7) USER MOD Single : A 72 LYS NZ :NH3+ -151:sc=-0.00341 (180deg=-0.315) USER MOD Single : A 75 LYS NZ :NH3+ 139:sc= 0.115 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= -0.015 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -146:sc= -0.106 (180deg=-0.67) USER MOD Single : A 84 SER OG : rot -33:sc= -0.0667! USER MOD Single : A 85 SER OG : rot 36:sc= 0.616 USER MOD Single : A 86 ASN :FLIP amide:sc= -0.727 F(o=-1.6,f=-0.73) USER MOD Single : A 94 HIS : no HD1:sc= -0.113 X(o=-0.11,f=0.0034) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.766 14.972 1.283 1.00 0.00 N ATOM 2 CA MET A 1 -5.457 14.679 0.638 1.00 0.00 C ATOM 3 C MET A 1 -5.284 13.165 0.505 1.00 0.00 C ATOM 4 O MET A 1 -5.209 12.638 -0.595 1.00 0.00 O ATOM 5 CB MET A 1 -4.327 15.252 1.496 1.00 0.00 C ATOM 6 CG MET A 1 -3.109 15.532 0.615 1.00 0.00 C ATOM 7 SD MET A 1 -2.264 17.016 1.213 1.00 0.00 S ATOM 8 CE MET A 1 -0.674 16.235 1.579 1.00 0.00 C ATOM 0 H1 MET A 1 -6.885 16.001 1.374 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.535 14.585 0.700 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.794 14.535 2.226 1.00 0.00 H new ATOM 0 HA MET A 1 -5.427 15.135 -0.351 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.656 16.170 1.983 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.064 14.549 2.286 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.429 14.680 0.634 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.419 15.669 -0.421 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.017 16.982 1.969 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.817 15.450 2.322 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.263 15.802 0.667 1.00 0.00 H new ATOM 20 N GLN A 2 -5.226 12.470 1.621 1.00 0.00 N ATOM 21 CA GLN A 2 -5.063 10.982 1.602 1.00 0.00 C ATOM 22 C GLN A 2 -6.301 10.349 0.959 1.00 0.00 C ATOM 23 O GLN A 2 -7.347 10.261 1.580 1.00 0.00 O ATOM 24 CB GLN A 2 -4.910 10.472 3.038 1.00 0.00 C ATOM 25 CG GLN A 2 -3.422 10.334 3.385 1.00 0.00 C ATOM 26 CD GLN A 2 -3.178 10.823 4.816 1.00 0.00 C ATOM 27 OE1 GLN A 2 -3.899 10.462 5.725 1.00 0.00 O ATOM 28 NE2 GLN A 2 -2.182 11.632 5.056 1.00 0.00 N ATOM 0 H GLN A 2 -5.286 12.879 2.554 1.00 0.00 H new ATOM 0 HA GLN A 2 -4.177 10.713 1.027 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -5.392 11.161 3.732 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -5.409 9.509 3.147 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -3.111 9.294 3.288 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -2.820 10.913 2.685 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -1.576 11.935 4.293 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -2.009 11.961 6.006 1.00 0.00 H new ATOM 37 N ASP A 3 -6.181 9.915 -0.281 1.00 0.00 N ATOM 38 CA ASP A 3 -7.342 9.289 -0.993 1.00 0.00 C ATOM 39 C ASP A 3 -6.866 8.078 -1.806 1.00 0.00 C ATOM 40 O ASP A 3 -5.750 7.615 -1.646 1.00 0.00 O ATOM 41 CB ASP A 3 -7.978 10.328 -1.929 1.00 0.00 C ATOM 42 CG ASP A 3 -9.285 10.842 -1.317 1.00 0.00 C ATOM 43 OD1 ASP A 3 -10.221 10.064 -1.230 1.00 0.00 O ATOM 44 OD2 ASP A 3 -9.325 12.003 -0.944 1.00 0.00 O ATOM 0 H ASP A 3 -5.323 9.970 -0.829 1.00 0.00 H new ATOM 0 HA ASP A 3 -8.079 8.954 -0.263 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -7.289 11.157 -2.089 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.172 9.882 -2.905 1.00 0.00 H new ATOM 49 N TRP A 4 -7.726 7.561 -2.663 1.00 0.00 N ATOM 50 CA TRP A 4 -7.379 6.364 -3.502 1.00 0.00 C ATOM 51 C TRP A 4 -6.053 6.589 -4.247 1.00 0.00 C ATOM 52 O TRP A 4 -5.180 5.739 -4.233 1.00 0.00 O ATOM 53 CB TRP A 4 -8.505 6.119 -4.518 1.00 0.00 C ATOM 54 CG TRP A 4 -8.204 4.893 -5.328 1.00 0.00 C ATOM 55 CD1 TRP A 4 -8.246 4.823 -6.679 1.00 0.00 C ATOM 56 CD2 TRP A 4 -7.810 3.570 -4.864 1.00 0.00 C ATOM 57 NE1 TRP A 4 -7.897 3.545 -7.073 1.00 0.00 N ATOM 58 CE2 TRP A 4 -7.620 2.734 -5.990 1.00 0.00 C ATOM 59 CE3 TRP A 4 -7.598 3.019 -3.589 1.00 0.00 C ATOM 60 CZ2 TRP A 4 -7.232 1.401 -5.853 1.00 0.00 C ATOM 61 CZ3 TRP A 4 -7.211 1.680 -3.453 1.00 0.00 C ATOM 62 CH2 TRP A 4 -7.028 0.874 -4.580 1.00 0.00 C ATOM 0 H TRP A 4 -8.666 7.925 -2.816 1.00 0.00 H new ATOM 0 HA TRP A 4 -7.267 5.497 -2.852 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -9.455 5.998 -3.998 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -8.609 6.983 -5.175 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -8.509 5.634 -7.342 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -7.850 3.238 -8.045 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -7.734 3.631 -2.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -7.091 0.783 -6.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -7.052 1.266 -2.468 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -6.729 -0.157 -4.464 1.00 0.00 H new ATOM 73 N ALA A 5 -5.919 7.720 -4.905 1.00 0.00 N ATOM 74 CA ALA A 5 -4.671 8.029 -5.682 1.00 0.00 C ATOM 75 C ALA A 5 -3.426 7.856 -4.797 1.00 0.00 C ATOM 76 O ALA A 5 -2.411 7.327 -5.240 1.00 0.00 O ATOM 77 CB ALA A 5 -4.746 9.473 -6.194 1.00 0.00 C ATOM 0 H ALA A 5 -6.630 8.451 -4.937 1.00 0.00 H new ATOM 0 HA ALA A 5 -4.594 7.339 -6.522 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -3.844 9.706 -6.759 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.617 9.586 -6.839 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.830 10.155 -5.348 1.00 0.00 H new ATOM 83 N THR A 6 -3.506 8.287 -3.556 1.00 0.00 N ATOM 84 CA THR A 6 -2.347 8.155 -2.621 1.00 0.00 C ATOM 85 C THR A 6 -2.110 6.674 -2.347 1.00 0.00 C ATOM 86 O THR A 6 -0.989 6.199 -2.390 1.00 0.00 O ATOM 87 CB THR A 6 -2.658 8.882 -1.311 1.00 0.00 C ATOM 88 OG1 THR A 6 -3.269 10.133 -1.597 1.00 0.00 O ATOM 89 CG2 THR A 6 -1.363 9.113 -0.532 1.00 0.00 C ATOM 0 H THR A 6 -4.333 8.727 -3.152 1.00 0.00 H new ATOM 0 HA THR A 6 -1.455 8.597 -3.066 1.00 0.00 H new ATOM 0 HB THR A 6 -3.336 8.274 -0.712 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.046 10.775 -0.891 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.587 9.631 0.401 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.895 8.154 -0.311 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.682 9.719 -1.129 1.00 0.00 H new ATOM 97 N PHE A 7 -3.174 5.951 -2.084 1.00 0.00 N ATOM 98 CA PHE A 7 -3.071 4.484 -1.817 1.00 0.00 C ATOM 99 C PHE A 7 -2.520 3.788 -3.069 1.00 0.00 C ATOM 100 O PHE A 7 -1.933 2.726 -2.976 1.00 0.00 O ATOM 101 CB PHE A 7 -4.470 3.943 -1.477 1.00 0.00 C ATOM 102 CG PHE A 7 -4.439 2.436 -1.299 1.00 0.00 C ATOM 103 CD1 PHE A 7 -4.433 1.604 -2.424 1.00 0.00 C ATOM 104 CD2 PHE A 7 -4.433 1.877 -0.015 1.00 0.00 C ATOM 105 CE1 PHE A 7 -4.423 0.215 -2.272 1.00 0.00 C ATOM 106 CE2 PHE A 7 -4.420 0.484 0.139 1.00 0.00 C ATOM 107 CZ PHE A 7 -4.414 -0.347 -0.989 1.00 0.00 C ATOM 0 H PHE A 7 -4.123 6.324 -2.043 1.00 0.00 H new ATOM 0 HA PHE A 7 -2.400 4.293 -0.979 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -4.834 4.414 -0.564 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.169 4.205 -2.271 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.436 2.037 -3.413 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.438 2.518 0.854 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -4.422 -0.424 -3.142 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -4.415 0.051 1.128 1.00 0.00 H new ATOM 0 HZ PHE A 7 -4.402 -1.420 -0.869 1.00 0.00 H new ATOM 117 N LYS A 8 -2.713 4.378 -4.233 1.00 0.00 N ATOM 118 CA LYS A 8 -2.203 3.758 -5.493 1.00 0.00 C ATOM 119 C LYS A 8 -0.676 3.757 -5.462 1.00 0.00 C ATOM 120 O LYS A 8 -0.044 2.739 -5.700 1.00 0.00 O ATOM 121 CB LYS A 8 -2.693 4.560 -6.700 1.00 0.00 C ATOM 122 CG LYS A 8 -2.821 3.627 -7.906 1.00 0.00 C ATOM 123 CD LYS A 8 -1.474 3.534 -8.631 1.00 0.00 C ATOM 124 CE LYS A 8 -1.225 2.091 -9.075 1.00 0.00 C ATOM 125 NZ LYS A 8 -2.253 1.696 -10.078 1.00 0.00 N ATOM 0 H LYS A 8 -3.203 5.264 -4.358 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.571 2.735 -5.574 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.655 5.022 -6.479 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.996 5.368 -6.922 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.139 2.637 -7.580 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.587 3.999 -8.587 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.470 4.197 -9.496 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.672 3.865 -7.972 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.228 1.998 -9.505 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.265 1.423 -8.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.973 0.802 -10.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.171 1.572 -9.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.335 2.438 -10.802 1.00 0.00 H new ATOM 139 N LYS A 9 -0.086 4.889 -5.155 1.00 0.00 N ATOM 140 CA LYS A 9 1.408 4.977 -5.091 1.00 0.00 C ATOM 141 C LYS A 9 1.910 4.364 -3.777 1.00 0.00 C ATOM 142 O LYS A 9 3.054 3.952 -3.678 1.00 0.00 O ATOM 143 CB LYS A 9 1.838 6.447 -5.152 1.00 0.00 C ATOM 144 CG LYS A 9 1.181 7.130 -6.352 1.00 0.00 C ATOM 145 CD LYS A 9 1.778 8.528 -6.530 1.00 0.00 C ATOM 146 CE LYS A 9 3.156 8.416 -7.185 1.00 0.00 C ATOM 147 NZ LYS A 9 2.994 8.236 -8.656 1.00 0.00 N ATOM 0 H LYS A 9 -0.577 5.758 -4.945 1.00 0.00 H new ATOM 0 HA LYS A 9 1.832 4.432 -5.934 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.554 6.957 -4.231 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.923 6.515 -5.232 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.339 6.538 -7.253 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.104 7.199 -6.201 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.120 9.140 -7.146 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.863 9.024 -5.563 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.742 9.312 -6.980 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.704 7.573 -6.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.919 8.329 -9.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.603 7.292 -8.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.346 8.961 -9.025 1.00 0.00 H new ATOM 161 N LYS A 10 1.066 4.336 -2.765 1.00 0.00 N ATOM 162 CA LYS A 10 1.469 3.792 -1.427 1.00 0.00 C ATOM 163 C LYS A 10 1.327 2.262 -1.335 1.00 0.00 C ATOM 164 O LYS A 10 2.256 1.589 -0.920 1.00 0.00 O ATOM 165 CB LYS A 10 0.597 4.443 -0.349 1.00 0.00 C ATOM 166 CG LYS A 10 1.344 5.627 0.271 1.00 0.00 C ATOM 167 CD LYS A 10 0.448 6.320 1.299 1.00 0.00 C ATOM 168 CE LYS A 10 0.721 5.738 2.687 1.00 0.00 C ATOM 169 NZ LYS A 10 2.029 6.246 3.191 1.00 0.00 N ATOM 0 H LYS A 10 0.104 4.672 -2.813 1.00 0.00 H new ATOM 0 HA LYS A 10 2.524 4.026 -1.281 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.344 4.781 -0.783 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.348 3.713 0.422 1.00 0.00 H new ATOM 0 HG2 LYS A 10 2.261 5.281 0.748 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.635 6.333 -0.507 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.639 7.393 1.299 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.601 6.183 1.035 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.078 6.017 3.374 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.735 4.649 2.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.046 6.190 4.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.800 5.668 2.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.154 7.235 2.895 1.00 0.00 H new ATOM 183 N HIS A 11 0.160 1.722 -1.643 1.00 0.00 N ATOM 184 CA HIS A 11 -0.059 0.240 -1.491 1.00 0.00 C ATOM 185 C HIS A 11 -0.271 -0.482 -2.834 1.00 0.00 C ATOM 186 O HIS A 11 -0.470 -1.687 -2.835 1.00 0.00 O ATOM 187 CB HIS A 11 -1.294 0.012 -0.611 1.00 0.00 C ATOM 188 CG HIS A 11 -0.889 -0.068 0.838 1.00 0.00 C ATOM 189 ND1 HIS A 11 0.238 0.571 1.334 1.00 0.00 N ATOM 190 CD2 HIS A 11 -1.459 -0.708 1.911 1.00 0.00 C ATOM 191 CE1 HIS A 11 0.309 0.304 2.651 1.00 0.00 C ATOM 192 NE2 HIS A 11 -0.701 -0.472 3.055 1.00 0.00 N ATOM 0 H HIS A 11 -0.645 2.243 -1.991 1.00 0.00 H new ATOM 0 HA HIS A 11 0.842 -0.174 -1.040 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -2.007 0.824 -0.753 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -1.797 -0.909 -0.908 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -2.359 -1.304 1.873 1.00 0.00 H new ATOM 0 HE1 HIS A 11 1.088 0.672 3.302 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -0.879 -0.817 3.998 1.00 0.00 H new ATOM 200 N LEU A 12 -0.236 0.210 -3.960 1.00 0.00 N ATOM 201 CA LEU A 12 -0.444 -0.499 -5.276 1.00 0.00 C ATOM 202 C LEU A 12 0.814 -0.405 -6.136 1.00 0.00 C ATOM 203 O LEU A 12 1.439 0.638 -6.231 1.00 0.00 O ATOM 204 CB LEU A 12 -1.627 0.104 -6.039 1.00 0.00 C ATOM 205 CG LEU A 12 -2.931 -0.166 -5.286 1.00 0.00 C ATOM 206 CD1 LEU A 12 -4.089 0.504 -6.025 1.00 0.00 C ATOM 207 CD2 LEU A 12 -3.186 -1.675 -5.223 1.00 0.00 C ATOM 0 H LEU A 12 -0.076 1.215 -4.025 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.658 -1.546 -5.061 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.483 1.178 -6.159 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.681 -0.324 -7.040 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.853 0.235 -4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.020 0.314 -5.491 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.914 1.579 -6.078 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.160 0.098 -7.034 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.115 -1.865 -4.686 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.263 -2.073 -6.235 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.361 -2.162 -4.703 1.00 0.00 H new ATOM 219 N THR A 13 1.172 -1.504 -6.767 1.00 0.00 N ATOM 220 CA THR A 13 2.382 -1.540 -7.645 1.00 0.00 C ATOM 221 C THR A 13 2.115 -2.472 -8.829 1.00 0.00 C ATOM 222 O THR A 13 1.240 -3.321 -8.768 1.00 0.00 O ATOM 223 CB THR A 13 3.579 -2.064 -6.845 1.00 0.00 C ATOM 224 OG1 THR A 13 3.168 -3.171 -6.055 1.00 0.00 O ATOM 225 CG2 THR A 13 4.117 -0.956 -5.936 1.00 0.00 C ATOM 0 H THR A 13 0.666 -2.388 -6.707 1.00 0.00 H new ATOM 0 HA THR A 13 2.601 -0.536 -8.008 1.00 0.00 H new ATOM 0 HB THR A 13 4.365 -2.377 -7.532 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.360 -3.568 -6.443 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.968 -1.332 -5.369 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.432 -0.108 -6.544 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.334 -0.638 -5.248 1.00 0.00 H new ATOM 233 N ASP A 14 2.866 -2.315 -9.898 1.00 0.00 N ATOM 234 CA ASP A 14 2.682 -3.182 -11.106 1.00 0.00 C ATOM 235 C ASP A 14 3.930 -4.057 -11.310 1.00 0.00 C ATOM 236 O ASP A 14 4.221 -4.488 -12.415 1.00 0.00 O ATOM 237 CB ASP A 14 2.457 -2.291 -12.333 1.00 0.00 C ATOM 238 CG ASP A 14 1.008 -1.800 -12.349 1.00 0.00 C ATOM 239 OD1 ASP A 14 0.738 -0.790 -11.721 1.00 0.00 O ATOM 240 OD2 ASP A 14 0.193 -2.443 -12.991 1.00 0.00 O ATOM 0 H ASP A 14 3.604 -1.616 -9.983 1.00 0.00 H new ATOM 0 HA ASP A 14 1.817 -3.831 -10.967 1.00 0.00 H new ATOM 0 HB2 ASP A 14 3.140 -1.442 -12.309 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.673 -2.848 -13.245 1.00 0.00 H new ATOM 245 N THR A 15 4.656 -4.321 -10.241 1.00 0.00 N ATOM 246 CA THR A 15 5.893 -5.169 -10.322 1.00 0.00 C ATOM 247 C THR A 15 6.322 -5.554 -8.904 1.00 0.00 C ATOM 248 O THR A 15 6.165 -4.777 -7.975 1.00 0.00 O ATOM 249 CB THR A 15 7.028 -4.387 -10.999 1.00 0.00 C ATOM 250 OG1 THR A 15 6.922 -3.004 -10.680 1.00 0.00 O ATOM 251 CG2 THR A 15 6.942 -4.570 -12.515 1.00 0.00 C ATOM 0 H THR A 15 4.439 -3.979 -9.305 1.00 0.00 H new ATOM 0 HA THR A 15 5.680 -6.063 -10.908 1.00 0.00 H new ATOM 0 HB THR A 15 7.985 -4.764 -10.640 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.650 -2.512 -11.114 1.00 0.00 H new ATOM 0 HG21 THR A 15 7.748 -4.015 -12.995 1.00 0.00 H new ATOM 0 HG22 THR A 15 7.035 -5.628 -12.760 1.00 0.00 H new ATOM 0 HG23 THR A 15 5.982 -4.198 -12.873 1.00 0.00 H new ATOM 259 N TRP A 16 6.867 -6.744 -8.737 1.00 0.00 N ATOM 260 CA TRP A 16 7.320 -7.195 -7.384 1.00 0.00 C ATOM 261 C TRP A 16 8.475 -6.300 -6.941 1.00 0.00 C ATOM 262 O TRP A 16 8.571 -5.918 -5.786 1.00 0.00 O ATOM 263 CB TRP A 16 7.795 -8.652 -7.453 1.00 0.00 C ATOM 264 CG TRP A 16 7.457 -9.372 -6.178 1.00 0.00 C ATOM 265 CD1 TRP A 16 7.435 -8.820 -4.938 1.00 0.00 C ATOM 266 CD2 TRP A 16 7.099 -10.774 -6.003 1.00 0.00 C ATOM 267 NE1 TRP A 16 7.078 -9.792 -4.023 1.00 0.00 N ATOM 268 CE2 TRP A 16 6.866 -11.014 -4.628 1.00 0.00 C ATOM 269 CE3 TRP A 16 6.956 -11.851 -6.897 1.00 0.00 C ATOM 270 CZ2 TRP A 16 6.504 -12.277 -4.158 1.00 0.00 C ATOM 271 CZ3 TRP A 16 6.593 -13.123 -6.426 1.00 0.00 C ATOM 272 CH2 TRP A 16 6.367 -13.335 -5.059 1.00 0.00 C ATOM 0 H TRP A 16 7.015 -7.420 -9.486 1.00 0.00 H new ATOM 0 HA TRP A 16 6.496 -7.128 -6.673 1.00 0.00 H new ATOM 0 HB2 TRP A 16 7.325 -9.155 -8.298 1.00 0.00 H new ATOM 0 HB3 TRP A 16 8.871 -8.683 -7.622 1.00 0.00 H new ATOM 0 HD1 TRP A 16 7.660 -7.790 -4.705 1.00 0.00 H new ATOM 0 HE1 TRP A 16 6.983 -9.626 -3.021 1.00 0.00 H new ATOM 0 HE3 TRP A 16 7.127 -11.698 -7.952 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 6.331 -12.435 -3.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 6.487 -13.943 -7.121 1.00 0.00 H new ATOM 0 HH2 TRP A 16 6.087 -14.315 -4.703 1.00 0.00 H new ATOM 283 N ASP A 17 9.341 -5.961 -7.871 1.00 0.00 N ATOM 284 CA ASP A 17 10.505 -5.076 -7.563 1.00 0.00 C ATOM 285 C ASP A 17 10.095 -3.625 -7.824 1.00 0.00 C ATOM 286 O ASP A 17 9.774 -3.261 -8.944 1.00 0.00 O ATOM 287 CB ASP A 17 11.684 -5.454 -8.465 1.00 0.00 C ATOM 288 CG ASP A 17 12.988 -5.368 -7.668 1.00 0.00 C ATOM 289 OD1 ASP A 17 13.340 -6.353 -7.040 1.00 0.00 O ATOM 290 OD2 ASP A 17 13.610 -4.320 -7.699 1.00 0.00 O ATOM 0 H ASP A 17 9.286 -6.267 -8.843 1.00 0.00 H new ATOM 0 HA ASP A 17 10.804 -5.194 -6.521 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.549 -6.464 -8.853 1.00 0.00 H new ATOM 0 HB3 ASP A 17 11.726 -4.785 -9.325 1.00 0.00 H new ATOM 295 N VAL A 18 10.085 -2.809 -6.792 1.00 0.00 N ATOM 296 CA VAL A 18 9.677 -1.380 -6.946 1.00 0.00 C ATOM 297 C VAL A 18 10.873 -0.457 -6.704 1.00 0.00 C ATOM 298 O VAL A 18 11.833 -0.828 -6.048 1.00 0.00 O ATOM 299 CB VAL A 18 8.579 -1.075 -5.926 1.00 0.00 C ATOM 300 CG1 VAL A 18 8.112 0.376 -6.072 1.00 0.00 C ATOM 301 CG2 VAL A 18 7.400 -2.017 -6.170 1.00 0.00 C ATOM 0 H VAL A 18 10.345 -3.079 -5.843 1.00 0.00 H new ATOM 0 HA VAL A 18 9.310 -1.212 -7.958 1.00 0.00 H new ATOM 0 HB VAL A 18 8.970 -1.219 -4.919 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.330 0.582 -5.341 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.953 1.048 -5.903 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.719 0.533 -7.077 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.611 -1.807 -5.447 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.017 -1.866 -7.179 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.730 -3.050 -6.058 1.00 0.00 H new ATOM 311 N ASP A 19 10.795 0.747 -7.224 1.00 0.00 N ATOM 312 CA ASP A 19 11.892 1.746 -7.040 1.00 0.00 C ATOM 313 C ASP A 19 11.655 2.490 -5.718 1.00 0.00 C ATOM 314 O ASP A 19 10.952 3.487 -5.669 1.00 0.00 O ATOM 315 CB ASP A 19 11.891 2.727 -8.218 1.00 0.00 C ATOM 316 CG ASP A 19 11.985 1.950 -9.535 1.00 0.00 C ATOM 317 OD1 ASP A 19 12.902 1.155 -9.667 1.00 0.00 O ATOM 318 OD2 ASP A 19 11.142 2.164 -10.389 1.00 0.00 O ATOM 0 H ASP A 19 10.005 1.082 -7.776 1.00 0.00 H new ATOM 0 HA ASP A 19 12.861 1.248 -7.007 1.00 0.00 H new ATOM 0 HB2 ASP A 19 10.982 3.328 -8.203 1.00 0.00 H new ATOM 0 HB3 ASP A 19 12.730 3.417 -8.130 1.00 0.00 H new ATOM 323 N CYS A 20 12.219 1.977 -4.647 1.00 0.00 N ATOM 324 CA CYS A 20 12.038 2.593 -3.291 1.00 0.00 C ATOM 325 C CYS A 20 13.131 3.631 -3.010 1.00 0.00 C ATOM 326 O CYS A 20 12.894 4.609 -2.320 1.00 0.00 O ATOM 327 CB CYS A 20 12.119 1.488 -2.239 1.00 0.00 C ATOM 328 SG CYS A 20 10.503 0.691 -2.080 1.00 0.00 S ATOM 0 H CYS A 20 12.807 1.143 -4.656 1.00 0.00 H new ATOM 0 HA CYS A 20 11.070 3.092 -3.256 1.00 0.00 H new ATOM 0 HB2 CYS A 20 12.873 0.754 -2.524 1.00 0.00 H new ATOM 0 HB3 CYS A 20 12.427 1.905 -1.280 1.00 0.00 H new ATOM 333 N ASP A 21 14.321 3.407 -3.519 1.00 0.00 N ATOM 334 CA ASP A 21 15.460 4.353 -3.276 1.00 0.00 C ATOM 335 C ASP A 21 15.238 5.685 -4.008 1.00 0.00 C ATOM 336 O ASP A 21 15.848 6.684 -3.664 1.00 0.00 O ATOM 337 CB ASP A 21 16.756 3.715 -3.776 1.00 0.00 C ATOM 338 CG ASP A 21 17.038 2.437 -2.983 1.00 0.00 C ATOM 339 OD1 ASP A 21 17.652 2.536 -1.934 1.00 0.00 O ATOM 340 OD2 ASP A 21 16.632 1.379 -3.438 1.00 0.00 O ATOM 0 H ASP A 21 14.554 2.601 -4.099 1.00 0.00 H new ATOM 0 HA ASP A 21 15.522 4.553 -2.206 1.00 0.00 H new ATOM 0 HB2 ASP A 21 16.674 3.485 -4.838 1.00 0.00 H new ATOM 0 HB3 ASP A 21 17.584 4.415 -3.664 1.00 0.00 H new ATOM 345 N ASN A 22 14.387 5.703 -5.015 1.00 0.00 N ATOM 346 CA ASN A 22 14.132 6.965 -5.785 1.00 0.00 C ATOM 347 C ASN A 22 12.911 7.698 -5.221 1.00 0.00 C ATOM 348 O ASN A 22 12.841 8.916 -5.269 1.00 0.00 O ATOM 349 CB ASN A 22 13.881 6.617 -7.254 1.00 0.00 C ATOM 350 CG ASN A 22 13.795 7.904 -8.076 1.00 0.00 C ATOM 351 OD1 ASN A 22 12.917 8.717 -7.863 1.00 0.00 O ATOM 352 ND2 ASN A 22 14.673 8.125 -9.015 1.00 0.00 N ATOM 0 H ASN A 22 13.857 4.892 -5.335 1.00 0.00 H new ATOM 0 HA ASN A 22 15.003 7.615 -5.699 1.00 0.00 H new ATOM 0 HB2 ASN A 22 14.685 5.985 -7.631 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.956 6.048 -7.351 1.00 0.00 H new ATOM 0 HD21 ASN A 22 14.622 8.979 -9.570 1.00 0.00 H new ATOM 0 HD22 ASN A 22 15.410 7.443 -9.195 1.00 0.00 H new ATOM 359 N LEU A 23 11.952 6.963 -4.701 1.00 0.00 N ATOM 360 CA LEU A 23 10.714 7.591 -4.137 1.00 0.00 C ATOM 361 C LEU A 23 10.920 7.965 -2.665 1.00 0.00 C ATOM 362 O LEU A 23 10.255 8.848 -2.152 1.00 0.00 O ATOM 363 CB LEU A 23 9.553 6.602 -4.251 1.00 0.00 C ATOM 364 CG LEU A 23 8.846 6.802 -5.593 1.00 0.00 C ATOM 365 CD1 LEU A 23 9.775 6.373 -6.730 1.00 0.00 C ATOM 366 CD2 LEU A 23 7.574 5.956 -5.631 1.00 0.00 C ATOM 0 H LEU A 23 11.977 5.945 -4.644 1.00 0.00 H new ATOM 0 HA LEU A 23 10.492 8.498 -4.699 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.922 5.580 -4.171 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.851 6.753 -3.431 1.00 0.00 H new ATOM 0 HG LEU A 23 8.587 7.854 -5.712 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.270 6.516 -7.686 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.683 6.976 -6.705 1.00 0.00 H new ATOM 0 HD13 LEU A 23 10.035 5.321 -6.610 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.071 6.099 -6.587 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.833 4.904 -5.511 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.910 6.261 -4.822 1.00 0.00 H new ATOM 378 N MET A 24 11.826 7.290 -1.990 1.00 0.00 N ATOM 379 CA MET A 24 12.087 7.571 -0.540 1.00 0.00 C ATOM 380 C MET A 24 12.445 9.058 -0.285 1.00 0.00 C ATOM 381 O MET A 24 11.930 9.626 0.663 1.00 0.00 O ATOM 382 CB MET A 24 13.218 6.660 -0.037 1.00 0.00 C ATOM 383 CG MET A 24 13.498 6.943 1.448 1.00 0.00 C ATOM 384 SD MET A 24 14.044 5.433 2.289 1.00 0.00 S ATOM 385 CE MET A 24 15.285 4.905 1.080 1.00 0.00 C ATOM 0 H MET A 24 12.401 6.548 -2.389 1.00 0.00 H new ATOM 0 HA MET A 24 11.169 7.364 0.010 1.00 0.00 H new ATOM 0 HB2 MET A 24 12.941 5.614 -0.171 1.00 0.00 H new ATOM 0 HB3 MET A 24 14.121 6.828 -0.625 1.00 0.00 H new ATOM 0 HG2 MET A 24 14.263 7.714 1.540 1.00 0.00 H new ATOM 0 HG3 MET A 24 12.598 7.328 1.927 1.00 0.00 H new ATOM 0 HE1 MET A 24 16.050 4.311 1.580 1.00 0.00 H new ATOM 0 HE2 MET A 24 14.807 4.304 0.306 1.00 0.00 H new ATOM 0 HE3 MET A 24 15.746 5.782 0.625 1.00 0.00 H new ATOM 395 N PRO A 25 13.327 9.654 -1.090 1.00 0.00 N ATOM 396 CA PRO A 25 13.745 11.061 -0.883 1.00 0.00 C ATOM 397 C PRO A 25 12.703 12.070 -1.400 1.00 0.00 C ATOM 398 O PRO A 25 12.970 13.261 -1.420 1.00 0.00 O ATOM 399 CB PRO A 25 15.047 11.175 -1.681 1.00 0.00 C ATOM 400 CG PRO A 25 15.009 10.054 -2.745 1.00 0.00 C ATOM 401 CD PRO A 25 13.985 9.013 -2.257 1.00 0.00 C ATOM 0 HA PRO A 25 13.860 11.294 0.176 1.00 0.00 H new ATOM 0 HB2 PRO A 25 15.129 12.154 -2.152 1.00 0.00 H new ATOM 0 HB3 PRO A 25 15.913 11.062 -1.029 1.00 0.00 H new ATOM 0 HG2 PRO A 25 14.721 10.453 -3.717 1.00 0.00 H new ATOM 0 HG3 PRO A 25 15.993 9.601 -2.865 1.00 0.00 H new ATOM 0 HD2 PRO A 25 13.262 8.772 -3.037 1.00 0.00 H new ATOM 0 HD3 PRO A 25 14.472 8.080 -1.974 1.00 0.00 H new ATOM 409 N THR A 26 11.532 11.615 -1.809 1.00 0.00 N ATOM 410 CA THR A 26 10.478 12.559 -2.316 1.00 0.00 C ATOM 411 C THR A 26 9.577 12.988 -1.153 1.00 0.00 C ATOM 412 O THR A 26 9.810 12.627 -0.011 1.00 0.00 O ATOM 413 CB THR A 26 9.611 11.886 -3.396 1.00 0.00 C ATOM 414 OG1 THR A 26 10.318 10.809 -3.999 1.00 0.00 O ATOM 415 CG2 THR A 26 9.242 12.913 -4.472 1.00 0.00 C ATOM 0 H THR A 26 11.264 10.631 -1.812 1.00 0.00 H new ATOM 0 HA THR A 26 10.975 13.426 -2.752 1.00 0.00 H new ATOM 0 HB THR A 26 8.706 11.499 -2.927 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.287 10.027 -3.410 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.628 12.435 -5.236 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.684 13.731 -4.018 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.151 13.304 -4.929 1.00 0.00 H new ATOM 423 N SER A 27 8.549 13.752 -1.453 1.00 0.00 N ATOM 424 CA SER A 27 7.596 14.225 -0.396 1.00 0.00 C ATOM 425 C SER A 27 6.544 13.146 -0.098 1.00 0.00 C ATOM 426 O SER A 27 5.804 13.259 0.867 1.00 0.00 O ATOM 427 CB SER A 27 6.897 15.495 -0.882 1.00 0.00 C ATOM 428 OG SER A 27 6.692 16.368 0.222 1.00 0.00 O ATOM 0 H SER A 27 8.329 14.071 -2.397 1.00 0.00 H new ATOM 0 HA SER A 27 8.154 14.431 0.517 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.501 15.988 -1.644 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.943 15.245 -1.345 1.00 0.00 H new ATOM 0 HG SER A 27 6.245 17.184 -0.085 1.00 0.00 H new ATOM 434 N LEU A 28 6.473 12.107 -0.913 1.00 0.00 N ATOM 435 CA LEU A 28 5.475 11.015 -0.687 1.00 0.00 C ATOM 436 C LEU A 28 6.014 10.075 0.386 1.00 0.00 C ATOM 437 O LEU A 28 5.272 9.564 1.209 1.00 0.00 O ATOM 438 CB LEU A 28 5.265 10.240 -1.989 1.00 0.00 C ATOM 439 CG LEU A 28 4.169 9.189 -1.794 1.00 0.00 C ATOM 440 CD1 LEU A 28 2.805 9.876 -1.719 1.00 0.00 C ATOM 441 CD2 LEU A 28 4.184 8.216 -2.975 1.00 0.00 C ATOM 0 H LEU A 28 7.071 11.975 -1.728 1.00 0.00 H new ATOM 0 HA LEU A 28 4.524 11.439 -0.365 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.987 10.925 -2.790 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.195 9.758 -2.290 1.00 0.00 H new ATOM 0 HG LEU A 28 4.350 8.644 -0.868 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.027 9.126 -1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.793 10.571 -0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.621 10.422 -2.644 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.404 7.466 -2.839 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.003 8.764 -3.900 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.155 7.724 -3.029 1.00 0.00 H new ATOM 453 N PHE A 29 7.309 9.858 0.371 1.00 0.00 N ATOM 454 CA PHE A 29 7.956 8.963 1.372 1.00 0.00 C ATOM 455 C PHE A 29 8.755 9.822 2.354 1.00 0.00 C ATOM 456 O PHE A 29 8.743 9.580 3.549 1.00 0.00 O ATOM 457 CB PHE A 29 8.885 7.990 0.647 1.00 0.00 C ATOM 458 CG PHE A 29 8.060 6.897 0.010 1.00 0.00 C ATOM 459 CD1 PHE A 29 7.566 7.061 -1.289 1.00 0.00 C ATOM 460 CD2 PHE A 29 7.784 5.724 0.722 1.00 0.00 C ATOM 461 CE1 PHE A 29 6.797 6.051 -1.878 1.00 0.00 C ATOM 462 CE2 PHE A 29 7.014 4.713 0.133 1.00 0.00 C ATOM 463 CZ PHE A 29 6.520 4.878 -1.167 1.00 0.00 C ATOM 0 H PHE A 29 7.951 10.272 -0.305 1.00 0.00 H new ATOM 0 HA PHE A 29 7.203 8.395 1.918 1.00 0.00 H new ATOM 0 HB2 PHE A 29 9.461 8.517 -0.113 1.00 0.00 H new ATOM 0 HB3 PHE A 29 9.600 7.560 1.348 1.00 0.00 H new ATOM 0 HD1 PHE A 29 7.778 7.967 -1.837 1.00 0.00 H new ATOM 0 HD2 PHE A 29 8.165 5.598 1.725 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.417 6.177 -2.881 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.801 3.807 0.681 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.925 4.099 -1.621 1.00 0.00 H new ATOM 473 N ASP A 30 9.433 10.836 1.845 1.00 0.00 N ATOM 474 CA ASP A 30 10.242 11.762 2.714 1.00 0.00 C ATOM 475 C ASP A 30 11.099 10.955 3.716 1.00 0.00 C ATOM 476 O ASP A 30 11.152 11.260 4.901 1.00 0.00 O ATOM 477 CB ASP A 30 9.283 12.702 3.462 1.00 0.00 C ATOM 478 CG ASP A 30 9.923 14.086 3.589 1.00 0.00 C ATOM 479 OD1 ASP A 30 10.258 14.658 2.564 1.00 0.00 O ATOM 480 OD2 ASP A 30 10.068 14.550 4.707 1.00 0.00 O ATOM 0 H ASP A 30 9.459 11.062 0.851 1.00 0.00 H new ATOM 0 HA ASP A 30 10.919 12.348 2.092 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.336 12.775 2.926 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.060 12.300 4.450 1.00 0.00 H new ATOM 485 N CYS A 31 11.768 9.929 3.232 1.00 0.00 N ATOM 486 CA CYS A 31 12.626 9.077 4.118 1.00 0.00 C ATOM 487 C CYS A 31 11.743 8.442 5.209 1.00 0.00 C ATOM 488 O CYS A 31 12.164 8.263 6.344 1.00 0.00 O ATOM 489 CB CYS A 31 13.723 9.942 4.754 1.00 0.00 C ATOM 490 SG CYS A 31 15.203 9.908 3.708 1.00 0.00 S ATOM 0 H CYS A 31 11.754 9.646 2.252 1.00 0.00 H new ATOM 0 HA CYS A 31 13.099 8.287 3.535 1.00 0.00 H new ATOM 0 HB2 CYS A 31 13.371 10.967 4.871 1.00 0.00 H new ATOM 0 HB3 CYS A 31 13.961 9.571 5.751 1.00 0.00 H new ATOM 495 N LYS A 32 10.517 8.105 4.858 1.00 0.00 N ATOM 496 CA LYS A 32 9.563 7.481 5.837 1.00 0.00 C ATOM 497 C LYS A 32 10.193 6.231 6.465 1.00 0.00 C ATOM 498 O LYS A 32 11.357 5.936 6.248 1.00 0.00 O ATOM 499 CB LYS A 32 8.268 7.083 5.110 1.00 0.00 C ATOM 500 CG LYS A 32 7.176 8.127 5.375 1.00 0.00 C ATOM 501 CD LYS A 32 6.231 7.623 6.474 1.00 0.00 C ATOM 502 CE LYS A 32 5.037 6.892 5.846 1.00 0.00 C ATOM 503 NZ LYS A 32 3.768 7.486 6.356 1.00 0.00 N ATOM 0 H LYS A 32 10.134 8.239 3.922 1.00 0.00 H new ATOM 0 HA LYS A 32 9.340 8.204 6.622 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.453 7.002 4.039 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.936 6.103 5.452 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.629 9.072 5.677 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.615 8.320 4.461 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.766 6.952 7.146 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.879 8.461 7.075 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.078 6.972 4.760 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.078 5.830 6.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.958 6.991 5.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.730 7.388 7.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.730 8.494 6.102 1.00 0.00 H new ATOM 517 N ASP A 33 9.419 5.508 7.244 1.00 0.00 N ATOM 518 CA ASP A 33 9.929 4.271 7.916 1.00 0.00 C ATOM 519 C ASP A 33 9.888 3.089 6.944 1.00 0.00 C ATOM 520 O ASP A 33 10.917 2.544 6.582 1.00 0.00 O ATOM 521 CB ASP A 33 9.056 3.962 9.133 1.00 0.00 C ATOM 522 CG ASP A 33 9.324 4.999 10.223 1.00 0.00 C ATOM 523 OD1 ASP A 33 10.478 5.171 10.578 1.00 0.00 O ATOM 524 OD2 ASP A 33 8.371 5.607 10.682 1.00 0.00 O ATOM 0 H ASP A 33 8.443 5.727 7.444 1.00 0.00 H new ATOM 0 HA ASP A 33 10.959 4.434 8.232 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.003 3.976 8.852 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.273 2.961 9.506 1.00 0.00 H new ATOM 529 N LYS A 34 8.701 2.691 6.533 1.00 0.00 N ATOM 530 CA LYS A 34 8.557 1.537 5.588 1.00 0.00 C ATOM 531 C LYS A 34 7.185 1.586 4.904 1.00 0.00 C ATOM 532 O LYS A 34 6.300 2.307 5.333 1.00 0.00 O ATOM 533 CB LYS A 34 8.692 0.227 6.371 1.00 0.00 C ATOM 534 CG LYS A 34 7.664 0.199 7.507 1.00 0.00 C ATOM 535 CD LYS A 34 7.931 -1.002 8.425 1.00 0.00 C ATOM 536 CE LYS A 34 8.518 -0.524 9.757 1.00 0.00 C ATOM 537 NZ LYS A 34 7.891 -1.282 10.874 1.00 0.00 N ATOM 0 H LYS A 34 7.821 3.122 6.816 1.00 0.00 H new ATOM 0 HA LYS A 34 9.335 1.595 4.826 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.538 -0.623 5.706 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.700 0.136 6.776 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.717 1.125 8.080 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.656 0.136 7.096 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.004 -1.548 8.602 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.621 -1.693 7.941 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.598 -0.671 9.765 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.340 0.544 9.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.288 -0.959 11.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.864 -1.120 10.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.082 -2.297 10.755 1.00 0.00 H new ATOM 551 N ASN A 35 7.016 0.817 3.848 1.00 0.00 N ATOM 552 CA ASN A 35 5.713 0.784 3.107 1.00 0.00 C ATOM 553 C ASN A 35 5.473 -0.628 2.562 1.00 0.00 C ATOM 554 O ASN A 35 6.404 -1.316 2.179 1.00 0.00 O ATOM 555 CB ASN A 35 5.762 1.780 1.940 1.00 0.00 C ATOM 556 CG ASN A 35 4.419 1.777 1.195 1.00 0.00 C ATOM 557 OD1 ASN A 35 3.998 0.759 0.684 1.00 0.00 O ATOM 558 ND2 ASN A 35 3.726 2.877 1.112 1.00 0.00 N ATOM 0 H ASN A 35 7.736 0.204 3.466 1.00 0.00 H new ATOM 0 HA ASN A 35 4.903 1.057 3.783 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.979 2.781 2.313 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.568 1.513 1.256 1.00 0.00 H new ATOM 0 HD21 ASN A 35 2.833 2.881 0.619 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.076 3.734 1.540 1.00 0.00 H new ATOM 565 N THR A 36 4.226 -1.048 2.516 1.00 0.00 N ATOM 566 CA THR A 36 3.882 -2.404 1.985 1.00 0.00 C ATOM 567 C THR A 36 3.131 -2.240 0.661 1.00 0.00 C ATOM 568 O THR A 36 2.109 -1.576 0.607 1.00 0.00 O ATOM 569 CB THR A 36 2.987 -3.138 2.988 1.00 0.00 C ATOM 570 OG1 THR A 36 3.571 -3.069 4.282 1.00 0.00 O ATOM 571 CG2 THR A 36 2.843 -4.600 2.567 1.00 0.00 C ATOM 0 H THR A 36 3.425 -0.499 2.829 1.00 0.00 H new ATOM 0 HA THR A 36 4.794 -2.980 1.829 1.00 0.00 H new ATOM 0 HB THR A 36 2.003 -2.670 3.010 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.998 -3.537 4.925 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.206 -5.123 3.280 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.394 -4.650 1.575 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.826 -5.071 2.545 1.00 0.00 H new ATOM 579 N PHE A 37 3.639 -2.832 -0.402 1.00 0.00 N ATOM 580 CA PHE A 37 2.973 -2.715 -1.739 1.00 0.00 C ATOM 581 C PHE A 37 2.176 -3.985 -2.050 1.00 0.00 C ATOM 582 O PHE A 37 2.444 -5.048 -1.514 1.00 0.00 O ATOM 583 CB PHE A 37 4.025 -2.528 -2.842 1.00 0.00 C ATOM 584 CG PHE A 37 4.995 -1.411 -2.506 1.00 0.00 C ATOM 585 CD1 PHE A 37 4.545 -0.213 -1.928 1.00 0.00 C ATOM 586 CD2 PHE A 37 6.355 -1.576 -2.792 1.00 0.00 C ATOM 587 CE1 PHE A 37 5.457 0.810 -1.639 1.00 0.00 C ATOM 588 CE2 PHE A 37 7.264 -0.553 -2.506 1.00 0.00 C ATOM 589 CZ PHE A 37 6.816 0.640 -1.929 1.00 0.00 C ATOM 0 H PHE A 37 4.491 -3.393 -0.396 1.00 0.00 H new ATOM 0 HA PHE A 37 2.305 -1.854 -1.707 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.575 -3.458 -2.982 1.00 0.00 H new ATOM 0 HB3 PHE A 37 3.527 -2.307 -3.786 1.00 0.00 H new ATOM 0 HD1 PHE A 37 3.496 -0.080 -1.706 1.00 0.00 H new ATOM 0 HD2 PHE A 37 6.704 -2.497 -3.235 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.112 1.731 -1.192 1.00 0.00 H new ATOM 0 HE2 PHE A 37 8.312 -0.684 -2.731 1.00 0.00 H new ATOM 0 HZ PHE A 37 7.518 1.430 -1.707 1.00 0.00 H new ATOM 599 N ILE A 38 1.217 -3.867 -2.940 1.00 0.00 N ATOM 600 CA ILE A 38 0.380 -5.034 -3.362 1.00 0.00 C ATOM 601 C ILE A 38 0.717 -5.343 -4.822 1.00 0.00 C ATOM 602 O ILE A 38 0.768 -4.446 -5.650 1.00 0.00 O ATOM 603 CB ILE A 38 -1.108 -4.669 -3.240 1.00 0.00 C ATOM 604 CG1 ILE A 38 -1.434 -4.291 -1.785 1.00 0.00 C ATOM 605 CG2 ILE A 38 -1.974 -5.858 -3.669 1.00 0.00 C ATOM 606 CD1 ILE A 38 -1.152 -5.472 -0.845 1.00 0.00 C ATOM 0 H ILE A 38 0.976 -2.990 -3.401 1.00 0.00 H new ATOM 0 HA ILE A 38 0.581 -5.900 -2.732 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.319 -3.819 -3.889 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.838 -3.429 -1.485 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.481 -3.997 -1.705 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.027 -5.592 -3.580 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.751 -6.116 -4.704 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.760 -6.714 -3.028 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.388 -5.186 0.180 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.768 -6.323 -1.135 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.099 -5.746 -0.911 1.00 0.00 H new ATOM 618 N TYR A 39 0.952 -6.600 -5.136 1.00 0.00 N ATOM 619 CA TYR A 39 1.296 -6.986 -6.537 1.00 0.00 C ATOM 620 C TYR A 39 0.021 -7.452 -7.253 1.00 0.00 C ATOM 621 O TYR A 39 -0.201 -8.634 -7.472 1.00 0.00 O ATOM 622 CB TYR A 39 2.348 -8.106 -6.506 1.00 0.00 C ATOM 623 CG TYR A 39 2.853 -8.405 -7.902 1.00 0.00 C ATOM 624 CD1 TYR A 39 3.177 -7.362 -8.784 1.00 0.00 C ATOM 625 CD2 TYR A 39 3.005 -9.735 -8.311 1.00 0.00 C ATOM 626 CE1 TYR A 39 3.652 -7.654 -10.067 1.00 0.00 C ATOM 627 CE2 TYR A 39 3.479 -10.025 -9.594 1.00 0.00 C ATOM 628 CZ TYR A 39 3.803 -8.985 -10.473 1.00 0.00 C ATOM 629 OH TYR A 39 4.275 -9.270 -11.737 1.00 0.00 O ATOM 0 H TYR A 39 0.919 -7.375 -4.474 1.00 0.00 H new ATOM 0 HA TYR A 39 1.710 -6.135 -7.078 1.00 0.00 H new ATOM 0 HB2 TYR A 39 3.181 -7.812 -5.868 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.915 -9.006 -6.070 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.060 -6.335 -8.472 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.756 -10.539 -7.634 1.00 0.00 H new ATOM 0 HE1 TYR A 39 3.902 -6.852 -10.745 1.00 0.00 H new ATOM 0 HE2 TYR A 39 3.595 -11.052 -9.907 1.00 0.00 H new ATOM 0 HH TYR A 39 4.321 -10.241 -11.858 1.00 0.00 H new ATOM 639 N SER A 40 -0.822 -6.504 -7.606 1.00 0.00 N ATOM 640 CA SER A 40 -2.104 -6.828 -8.304 1.00 0.00 C ATOM 641 C SER A 40 -2.604 -5.591 -9.058 1.00 0.00 C ATOM 642 O SER A 40 -1.996 -4.533 -9.000 1.00 0.00 O ATOM 643 CB SER A 40 -3.147 -7.265 -7.271 1.00 0.00 C ATOM 644 OG SER A 40 -3.823 -8.420 -7.751 1.00 0.00 O ATOM 0 H SER A 40 -0.670 -5.510 -7.436 1.00 0.00 H new ATOM 0 HA SER A 40 -1.940 -7.637 -9.015 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.664 -7.481 -6.318 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.859 -6.460 -7.092 1.00 0.00 H new ATOM 0 HG SER A 40 -4.491 -8.705 -7.093 1.00 0.00 H new ATOM 650 N LEU A 41 -3.702 -5.731 -9.767 1.00 0.00 N ATOM 651 CA LEU A 41 -4.270 -4.584 -10.549 1.00 0.00 C ATOM 652 C LEU A 41 -5.333 -3.859 -9.704 1.00 0.00 C ATOM 653 O LEU A 41 -5.933 -4.468 -8.838 1.00 0.00 O ATOM 654 CB LEU A 41 -4.923 -5.114 -11.834 1.00 0.00 C ATOM 655 CG LEU A 41 -3.858 -5.411 -12.902 1.00 0.00 C ATOM 656 CD1 LEU A 41 -3.095 -4.130 -13.252 1.00 0.00 C ATOM 657 CD2 LEU A 41 -2.875 -6.463 -12.380 1.00 0.00 C ATOM 0 H LEU A 41 -4.233 -6.599 -9.837 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.469 -3.890 -10.803 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.487 -6.020 -11.614 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.634 -4.381 -12.216 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.353 -5.791 -13.796 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.343 -4.350 -14.009 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.791 -3.386 -13.638 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.607 -3.741 -12.358 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.123 -6.668 -13.142 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.387 -6.090 -11.480 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.415 -7.381 -12.146 1.00 0.00 H new ATOM 669 N PRO A 42 -5.559 -2.581 -9.991 1.00 0.00 N ATOM 670 CA PRO A 42 -6.565 -1.775 -9.267 1.00 0.00 C ATOM 671 C PRO A 42 -7.984 -2.129 -9.743 1.00 0.00 C ATOM 672 O PRO A 42 -8.957 -1.834 -9.069 1.00 0.00 O ATOM 673 CB PRO A 42 -6.206 -0.330 -9.626 1.00 0.00 C ATOM 674 CG PRO A 42 -5.403 -0.393 -10.945 1.00 0.00 C ATOM 675 CD PRO A 42 -4.845 -1.825 -11.052 1.00 0.00 C ATOM 0 HA PRO A 42 -6.557 -1.950 -8.191 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.105 0.274 -9.747 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -5.616 0.132 -8.834 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.040 -0.161 -11.798 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.595 0.339 -10.942 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.032 -2.251 -12.038 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.766 -1.844 -10.896 1.00 0.00 H new ATOM 683 N GLY A 43 -8.100 -2.760 -10.900 1.00 0.00 N ATOM 684 CA GLY A 43 -9.440 -3.148 -11.443 1.00 0.00 C ATOM 685 C GLY A 43 -10.069 -4.251 -10.567 1.00 0.00 C ATOM 686 O GLY A 43 -11.163 -4.063 -10.065 1.00 0.00 O ATOM 0 H GLY A 43 -7.311 -3.022 -11.491 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.095 -2.277 -11.471 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.337 -3.502 -12.469 1.00 0.00 H new ATOM 690 N PRO A 44 -9.371 -5.375 -10.403 1.00 0.00 N ATOM 691 CA PRO A 44 -9.876 -6.501 -9.589 1.00 0.00 C ATOM 692 C PRO A 44 -9.796 -6.166 -8.097 1.00 0.00 C ATOM 693 O PRO A 44 -10.588 -6.653 -7.308 1.00 0.00 O ATOM 694 CB PRO A 44 -8.947 -7.666 -9.948 1.00 0.00 C ATOM 695 CG PRO A 44 -7.651 -7.032 -10.495 1.00 0.00 C ATOM 696 CD PRO A 44 -8.032 -5.629 -10.998 1.00 0.00 C ATOM 0 HA PRO A 44 -10.923 -6.732 -9.787 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -8.740 -8.282 -9.073 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -9.407 -8.315 -10.693 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.890 -6.972 -9.717 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.235 -7.634 -11.303 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -7.306 -4.881 -10.678 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.067 -5.593 -12.087 1.00 0.00 H new ATOM 704 N VAL A 45 -8.853 -5.327 -7.716 1.00 0.00 N ATOM 705 CA VAL A 45 -8.716 -4.933 -6.279 1.00 0.00 C ATOM 706 C VAL A 45 -9.846 -3.958 -5.941 1.00 0.00 C ATOM 707 O VAL A 45 -10.579 -4.160 -4.987 1.00 0.00 O ATOM 708 CB VAL A 45 -7.343 -4.282 -6.053 1.00 0.00 C ATOM 709 CG1 VAL A 45 -7.233 -3.744 -4.621 1.00 0.00 C ATOM 710 CG2 VAL A 45 -6.254 -5.335 -6.277 1.00 0.00 C ATOM 0 H VAL A 45 -8.173 -4.900 -8.345 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.786 -5.806 -5.630 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.222 -3.453 -6.751 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.254 -3.286 -4.478 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.010 -2.999 -4.452 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.356 -4.564 -3.914 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.274 -4.884 -6.119 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.393 -6.157 -5.575 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.319 -5.714 -7.297 1.00 0.00 H new ATOM 720 N LYS A 46 -9.993 -2.920 -6.735 1.00 0.00 N ATOM 721 CA LYS A 46 -11.083 -1.920 -6.504 1.00 0.00 C ATOM 722 C LYS A 46 -12.439 -2.593 -6.738 1.00 0.00 C ATOM 723 O LYS A 46 -13.442 -2.185 -6.173 1.00 0.00 O ATOM 724 CB LYS A 46 -10.926 -0.748 -7.474 1.00 0.00 C ATOM 725 CG LYS A 46 -11.941 0.342 -7.114 1.00 0.00 C ATOM 726 CD LYS A 46 -11.719 1.570 -7.999 1.00 0.00 C ATOM 727 CE LYS A 46 -12.071 1.229 -9.447 1.00 0.00 C ATOM 728 NZ LYS A 46 -12.122 2.481 -10.255 1.00 0.00 N ATOM 0 H LYS A 46 -9.398 -2.724 -7.540 1.00 0.00 H new ATOM 0 HA LYS A 46 -11.024 -1.549 -5.481 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.913 -0.350 -7.422 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -11.084 -1.085 -8.499 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -12.955 -0.035 -7.247 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -11.837 0.616 -6.064 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -12.335 2.399 -7.650 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.681 1.895 -7.933 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.329 0.546 -9.861 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -13.033 0.718 -9.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.361 2.249 -11.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.845 3.118 -9.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.195 2.951 -10.226 1.00 0.00 H new ATOM 742 N ALA A 47 -12.468 -3.624 -7.563 1.00 0.00 N ATOM 743 CA ALA A 47 -13.749 -4.351 -7.844 1.00 0.00 C ATOM 744 C ALA A 47 -14.297 -4.927 -6.537 1.00 0.00 C ATOM 745 O ALA A 47 -15.498 -5.054 -6.363 1.00 0.00 O ATOM 746 CB ALA A 47 -13.485 -5.490 -8.831 1.00 0.00 C ATOM 0 H ALA A 47 -11.652 -3.991 -8.054 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.475 -3.661 -8.274 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.417 -6.018 -9.035 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -13.089 -5.081 -9.761 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -12.762 -6.183 -8.402 1.00 0.00 H new ATOM 752 N LEU A 48 -13.414 -5.262 -5.618 1.00 0.00 N ATOM 753 CA LEU A 48 -13.832 -5.820 -4.305 1.00 0.00 C ATOM 754 C LEU A 48 -14.551 -4.717 -3.520 1.00 0.00 C ATOM 755 O LEU A 48 -15.530 -4.967 -2.835 1.00 0.00 O ATOM 756 CB LEU A 48 -12.565 -6.302 -3.569 1.00 0.00 C ATOM 757 CG LEU A 48 -12.838 -6.539 -2.080 1.00 0.00 C ATOM 758 CD1 LEU A 48 -13.954 -7.580 -1.902 1.00 0.00 C ATOM 759 CD2 LEU A 48 -11.555 -7.036 -1.408 1.00 0.00 C ATOM 0 H LEU A 48 -12.405 -5.167 -5.735 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.514 -6.662 -4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -12.206 -7.224 -4.026 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.773 -5.561 -3.682 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.158 -5.604 -1.620 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -14.138 -7.739 -0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -14.866 -7.220 -2.378 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -13.651 -8.521 -2.362 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.742 -7.207 -0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.237 -7.968 -1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -10.771 -6.287 -1.522 1.00 0.00 H new ATOM 771 N CYS A 49 -14.065 -3.501 -3.632 1.00 0.00 N ATOM 772 CA CYS A 49 -14.692 -2.348 -2.919 1.00 0.00 C ATOM 773 C CYS A 49 -15.951 -1.888 -3.666 1.00 0.00 C ATOM 774 O CYS A 49 -16.723 -1.108 -3.136 1.00 0.00 O ATOM 775 CB CYS A 49 -13.685 -1.198 -2.844 1.00 0.00 C ATOM 776 SG CYS A 49 -12.888 -1.197 -1.220 1.00 0.00 S ATOM 0 H CYS A 49 -13.250 -3.260 -4.195 1.00 0.00 H new ATOM 0 HA CYS A 49 -14.975 -2.655 -1.912 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -12.936 -1.305 -3.628 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -14.190 -0.247 -3.013 1.00 0.00 H new ATOM 781 N ARG A 50 -16.168 -2.368 -4.883 1.00 0.00 N ATOM 782 CA ARG A 50 -17.384 -1.965 -5.657 1.00 0.00 C ATOM 783 C ARG A 50 -18.632 -2.407 -4.881 1.00 0.00 C ATOM 784 O ARG A 50 -19.136 -3.506 -5.059 1.00 0.00 O ATOM 785 CB ARG A 50 -17.355 -2.626 -7.043 1.00 0.00 C ATOM 786 CG ARG A 50 -18.254 -1.842 -8.007 1.00 0.00 C ATOM 787 CD ARG A 50 -17.697 -1.930 -9.434 1.00 0.00 C ATOM 788 NE ARG A 50 -18.785 -2.336 -10.370 1.00 0.00 N ATOM 789 CZ ARG A 50 -19.511 -1.428 -10.966 1.00 0.00 C ATOM 790 NH1 ARG A 50 -20.573 -0.950 -10.376 1.00 0.00 N ATOM 791 NH2 ARG A 50 -19.176 -1.002 -12.154 1.00 0.00 N ATOM 0 H ARG A 50 -15.550 -3.021 -5.365 1.00 0.00 H new ATOM 0 HA ARG A 50 -17.404 -0.883 -5.789 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -16.334 -2.653 -7.423 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -17.695 -3.659 -6.971 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -19.268 -2.242 -7.978 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -18.314 -0.799 -7.695 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -17.285 -0.967 -9.735 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -16.881 -2.652 -9.473 1.00 0.00 H new ATOM 0 HE ARG A 50 -18.963 -3.325 -10.545 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -20.836 -1.285 -9.449 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -21.140 -0.241 -10.842 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -18.348 -1.378 -12.616 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -19.742 -0.293 -12.620 1.00 0.00 H new ATOM 805 N GLY A 51 -19.112 -1.549 -4.008 1.00 0.00 N ATOM 806 CA GLY A 51 -20.314 -1.871 -3.181 1.00 0.00 C ATOM 807 C GLY A 51 -20.285 -1.025 -1.909 1.00 0.00 C ATOM 808 O GLY A 51 -21.320 -0.599 -1.420 1.00 0.00 O ATOM 0 H GLY A 51 -18.713 -0.627 -3.834 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -21.224 -1.670 -3.746 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -20.324 -2.931 -2.928 1.00 0.00 H new ATOM 812 N VAL A 52 -19.103 -0.776 -1.379 1.00 0.00 N ATOM 813 CA VAL A 52 -18.978 0.050 -0.135 1.00 0.00 C ATOM 814 C VAL A 52 -19.216 1.522 -0.484 1.00 0.00 C ATOM 815 O VAL A 52 -18.752 2.002 -1.505 1.00 0.00 O ATOM 816 CB VAL A 52 -17.578 -0.122 0.454 1.00 0.00 C ATOM 817 CG1 VAL A 52 -17.497 0.600 1.801 1.00 0.00 C ATOM 818 CG2 VAL A 52 -17.295 -1.612 0.657 1.00 0.00 C ATOM 0 H VAL A 52 -18.219 -1.113 -1.760 1.00 0.00 H new ATOM 0 HA VAL A 52 -19.716 -0.274 0.598 1.00 0.00 H new ATOM 0 HB VAL A 52 -16.841 0.301 -0.228 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -16.498 0.477 2.220 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -17.702 1.661 1.658 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -18.233 0.177 2.485 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -16.297 -1.739 1.077 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -18.033 -2.033 1.340 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -17.353 -2.127 -0.302 1.00 0.00 H new ATOM 828 N ILE A 53 -19.946 2.230 0.355 1.00 0.00 N ATOM 829 CA ILE A 53 -20.244 3.674 0.088 1.00 0.00 C ATOM 830 C ILE A 53 -19.634 4.552 1.187 1.00 0.00 C ATOM 831 O ILE A 53 -19.090 5.608 0.910 1.00 0.00 O ATOM 832 CB ILE A 53 -21.761 3.873 0.059 1.00 0.00 C ATOM 833 CG1 ILE A 53 -22.394 2.888 -0.941 1.00 0.00 C ATOM 834 CG2 ILE A 53 -22.084 5.313 -0.350 1.00 0.00 C ATOM 835 CD1 ILE A 53 -21.849 3.134 -2.355 1.00 0.00 C ATOM 0 H ILE A 53 -20.349 1.863 1.217 1.00 0.00 H new ATOM 0 HA ILE A 53 -19.812 3.960 -0.871 1.00 0.00 H new ATOM 0 HB ILE A 53 -22.169 3.684 1.052 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -22.181 1.863 -0.636 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -23.478 3.003 -0.937 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -23.165 5.452 -0.370 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -21.643 6.003 0.369 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -21.675 5.510 -1.341 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -22.307 2.429 -3.049 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -22.085 4.152 -2.664 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -20.768 2.995 -2.357 1.00 0.00 H new ATOM 847 N PHE A 54 -19.727 4.117 2.425 1.00 0.00 N ATOM 848 CA PHE A 54 -19.163 4.904 3.567 1.00 0.00 C ATOM 849 C PHE A 54 -17.828 4.296 3.998 1.00 0.00 C ATOM 850 O PHE A 54 -17.422 3.259 3.499 1.00 0.00 O ATOM 851 CB PHE A 54 -20.142 4.868 4.744 1.00 0.00 C ATOM 852 CG PHE A 54 -21.423 5.560 4.351 1.00 0.00 C ATOM 853 CD1 PHE A 54 -22.420 4.852 3.668 1.00 0.00 C ATOM 854 CD2 PHE A 54 -21.616 6.908 4.670 1.00 0.00 C ATOM 855 CE1 PHE A 54 -23.609 5.495 3.303 1.00 0.00 C ATOM 856 CE2 PHE A 54 -22.805 7.551 4.305 1.00 0.00 C ATOM 857 CZ PHE A 54 -23.802 6.844 3.622 1.00 0.00 C ATOM 0 H PHE A 54 -20.175 3.241 2.693 1.00 0.00 H new ATOM 0 HA PHE A 54 -19.007 5.936 3.253 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -20.346 3.836 5.030 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -19.702 5.359 5.612 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -22.272 3.811 3.423 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -20.848 7.453 5.198 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -24.377 4.950 2.775 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -22.953 8.592 4.550 1.00 0.00 H new ATOM 0 HZ PHE A 54 -24.720 7.339 3.341 1.00 0.00 H new ATOM 867 N SER A 55 -17.149 4.942 4.921 1.00 0.00 N ATOM 868 CA SER A 55 -15.829 4.430 5.408 1.00 0.00 C ATOM 869 C SER A 55 -16.039 3.149 6.220 1.00 0.00 C ATOM 870 O SER A 55 -16.699 3.159 7.248 1.00 0.00 O ATOM 871 CB SER A 55 -15.162 5.487 6.287 1.00 0.00 C ATOM 872 OG SER A 55 -14.362 6.337 5.474 1.00 0.00 O ATOM 0 H SER A 55 -17.458 5.809 5.360 1.00 0.00 H new ATOM 0 HA SER A 55 -15.190 4.214 4.552 1.00 0.00 H new ATOM 0 HB2 SER A 55 -15.919 6.072 6.810 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.546 5.008 7.048 1.00 0.00 H new ATOM 0 HG SER A 55 -14.891 6.653 4.712 1.00 0.00 H new ATOM 878 N ALA A 56 -15.469 2.054 5.762 1.00 0.00 N ATOM 879 CA ALA A 56 -15.598 0.745 6.481 1.00 0.00 C ATOM 880 C ALA A 56 -14.293 -0.037 6.320 1.00 0.00 C ATOM 881 O ALA A 56 -13.475 0.302 5.489 1.00 0.00 O ATOM 882 CB ALA A 56 -16.753 -0.059 5.882 1.00 0.00 C ATOM 0 H ALA A 56 -14.913 2.014 4.908 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.797 0.922 7.538 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -16.845 -1.010 6.406 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -17.681 0.504 5.986 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -16.558 -0.244 4.826 1.00 0.00 H new ATOM 888 N ASP A 57 -14.096 -1.076 7.102 1.00 0.00 N ATOM 889 CA ASP A 57 -12.835 -1.880 6.996 1.00 0.00 C ATOM 890 C ASP A 57 -13.073 -3.082 6.078 1.00 0.00 C ATOM 891 O ASP A 57 -13.841 -3.973 6.402 1.00 0.00 O ATOM 892 CB ASP A 57 -12.425 -2.378 8.386 1.00 0.00 C ATOM 893 CG ASP A 57 -12.149 -1.178 9.296 1.00 0.00 C ATOM 894 OD1 ASP A 57 -13.090 -0.688 9.896 1.00 0.00 O ATOM 895 OD2 ASP A 57 -11.000 -0.773 9.377 1.00 0.00 O ATOM 0 H ASP A 57 -14.755 -1.401 7.809 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.042 -1.256 6.585 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.216 -2.996 8.811 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.536 -3.004 8.312 1.00 0.00 H new ATOM 900 N VAL A 58 -12.415 -3.102 4.936 1.00 0.00 N ATOM 901 CA VAL A 58 -12.581 -4.232 3.971 1.00 0.00 C ATOM 902 C VAL A 58 -11.368 -5.159 4.060 1.00 0.00 C ATOM 903 O VAL A 58 -10.232 -4.715 4.010 1.00 0.00 O ATOM 904 CB VAL A 58 -12.701 -3.680 2.543 1.00 0.00 C ATOM 905 CG1 VAL A 58 -12.883 -4.835 1.552 1.00 0.00 C ATOM 906 CG2 VAL A 58 -13.911 -2.747 2.456 1.00 0.00 C ATOM 0 H VAL A 58 -11.766 -2.375 4.634 1.00 0.00 H new ATOM 0 HA VAL A 58 -13.485 -4.789 4.219 1.00 0.00 H new ATOM 0 HB VAL A 58 -11.793 -3.130 2.296 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -12.968 -4.437 0.541 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -12.023 -5.502 1.609 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -13.788 -5.389 1.801 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -13.996 -2.355 1.442 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -14.816 -3.300 2.709 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -13.784 -1.920 3.155 1.00 0.00 H new ATOM 916 N LEU A 59 -11.618 -6.444 4.173 1.00 0.00 N ATOM 917 CA LEU A 59 -10.511 -7.442 4.247 1.00 0.00 C ATOM 918 C LEU A 59 -10.387 -8.129 2.886 1.00 0.00 C ATOM 919 O LEU A 59 -11.364 -8.624 2.350 1.00 0.00 O ATOM 920 CB LEU A 59 -10.829 -8.481 5.324 1.00 0.00 C ATOM 921 CG LEU A 59 -10.519 -7.896 6.701 1.00 0.00 C ATOM 922 CD1 LEU A 59 -11.433 -8.536 7.747 1.00 0.00 C ATOM 923 CD2 LEU A 59 -9.058 -8.178 7.056 1.00 0.00 C ATOM 0 H LEU A 59 -12.555 -6.844 4.217 1.00 0.00 H new ATOM 0 HA LEU A 59 -9.574 -6.946 4.501 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.878 -8.770 5.267 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -10.240 -9.384 5.159 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.688 -6.819 6.685 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -11.211 -8.118 8.729 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -12.474 -8.334 7.493 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -11.267 -9.613 7.765 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.835 -7.761 8.038 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.889 -9.255 7.072 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.408 -7.719 6.311 1.00 0.00 H new ATOM 935 N SER A 60 -9.194 -8.152 2.322 1.00 0.00 N ATOM 936 CA SER A 60 -8.978 -8.795 0.978 1.00 0.00 C ATOM 937 C SER A 60 -9.558 -10.214 0.976 1.00 0.00 C ATOM 938 O SER A 60 -9.411 -10.949 1.939 1.00 0.00 O ATOM 939 CB SER A 60 -7.480 -8.855 0.680 1.00 0.00 C ATOM 940 OG SER A 60 -6.837 -9.639 1.674 1.00 0.00 O ATOM 0 H SER A 60 -8.355 -7.749 2.740 1.00 0.00 H new ATOM 0 HA SER A 60 -9.481 -8.204 0.213 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.310 -9.286 -0.306 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.060 -7.849 0.665 1.00 0.00 H new ATOM 0 HG SER A 60 -6.694 -10.546 1.333 1.00 0.00 H new ATOM 946 N ASN A 61 -10.222 -10.587 -0.100 1.00 0.00 N ATOM 947 CA ASN A 61 -10.836 -11.949 -0.195 1.00 0.00 C ATOM 948 C ASN A 61 -9.755 -12.990 -0.502 1.00 0.00 C ATOM 949 O ASN A 61 -9.883 -14.145 -0.127 1.00 0.00 O ATOM 950 CB ASN A 61 -11.891 -11.956 -1.305 1.00 0.00 C ATOM 951 CG ASN A 61 -13.275 -11.725 -0.695 1.00 0.00 C ATOM 952 OD1 ASN A 61 -14.195 -12.478 -0.944 1.00 0.00 O ATOM 953 ND2 ASN A 61 -13.463 -10.709 0.102 1.00 0.00 N ATOM 0 H ASN A 61 -10.363 -9.998 -0.921 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.307 -12.198 0.756 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.670 -11.179 -2.036 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.870 -12.908 -1.835 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.382 -10.548 0.515 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -12.691 -10.076 0.312 1.00 0.00 H new ATOM 960 N SER A 62 -8.696 -12.586 -1.175 1.00 0.00 N ATOM 961 CA SER A 62 -7.589 -13.537 -1.513 1.00 0.00 C ATOM 962 C SER A 62 -6.244 -12.873 -1.222 1.00 0.00 C ATOM 963 O SER A 62 -6.002 -11.749 -1.633 1.00 0.00 O ATOM 964 CB SER A 62 -7.657 -13.908 -2.995 1.00 0.00 C ATOM 965 OG SER A 62 -8.546 -15.006 -3.165 1.00 0.00 O ATOM 0 H SER A 62 -8.554 -11.631 -1.505 1.00 0.00 H new ATOM 0 HA SER A 62 -7.695 -14.439 -0.910 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.999 -13.054 -3.580 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.664 -14.169 -3.362 1.00 0.00 H new ATOM 0 HG SER A 62 -8.593 -15.245 -4.114 1.00 0.00 H new ATOM 971 N GLU A 63 -5.371 -13.567 -0.519 1.00 0.00 N ATOM 972 CA GLU A 63 -4.024 -13.003 -0.189 1.00 0.00 C ATOM 973 C GLU A 63 -3.233 -12.805 -1.480 1.00 0.00 C ATOM 974 O GLU A 63 -3.263 -13.644 -2.367 1.00 0.00 O ATOM 975 CB GLU A 63 -3.267 -13.965 0.736 1.00 0.00 C ATOM 976 CG GLU A 63 -3.304 -15.384 0.159 1.00 0.00 C ATOM 977 CD GLU A 63 -2.060 -16.150 0.612 1.00 0.00 C ATOM 978 OE1 GLU A 63 -1.037 -16.015 -0.039 1.00 0.00 O ATOM 979 OE2 GLU A 63 -2.150 -16.858 1.603 1.00 0.00 O ATOM 0 H GLU A 63 -5.540 -14.506 -0.159 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.146 -12.046 0.318 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.234 -13.636 0.849 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.715 -13.956 1.730 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.204 -15.901 0.493 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.344 -15.345 -0.930 1.00 0.00 H new ATOM 986 N PHE A 64 -2.529 -11.699 -1.581 1.00 0.00 N ATOM 987 CA PHE A 64 -1.714 -11.417 -2.808 1.00 0.00 C ATOM 988 C PHE A 64 -0.255 -11.266 -2.409 1.00 0.00 C ATOM 989 O PHE A 64 0.075 -11.218 -1.233 1.00 0.00 O ATOM 990 CB PHE A 64 -2.167 -10.111 -3.476 1.00 0.00 C ATOM 991 CG PHE A 64 -3.675 -10.073 -3.579 1.00 0.00 C ATOM 992 CD1 PHE A 64 -4.330 -10.838 -4.551 1.00 0.00 C ATOM 993 CD2 PHE A 64 -4.416 -9.272 -2.702 1.00 0.00 C ATOM 994 CE1 PHE A 64 -5.725 -10.802 -4.647 1.00 0.00 C ATOM 995 CE2 PHE A 64 -5.813 -9.236 -2.799 1.00 0.00 C ATOM 996 CZ PHE A 64 -6.468 -10.001 -3.771 1.00 0.00 C ATOM 0 H PHE A 64 -2.484 -10.977 -0.862 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.845 -12.243 -3.507 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.813 -9.257 -2.899 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.725 -10.030 -4.469 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.758 -11.456 -5.227 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.911 -8.682 -1.951 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.230 -11.393 -5.397 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -6.385 -8.618 -2.123 1.00 0.00 H new ATOM 0 HZ PHE A 64 -7.545 -9.974 -3.845 1.00 0.00 H new ATOM 1006 N TYR A 65 0.611 -11.161 -3.389 1.00 0.00 N ATOM 1007 CA TYR A 65 2.060 -10.978 -3.104 1.00 0.00 C ATOM 1008 C TYR A 65 2.241 -9.570 -2.554 1.00 0.00 C ATOM 1009 O TYR A 65 1.588 -8.642 -3.006 1.00 0.00 O ATOM 1010 CB TYR A 65 2.873 -11.153 -4.387 1.00 0.00 C ATOM 1011 CG TYR A 65 3.005 -12.622 -4.704 1.00 0.00 C ATOM 1012 CD1 TYR A 65 3.561 -13.494 -3.759 1.00 0.00 C ATOM 1013 CD2 TYR A 65 2.573 -13.114 -5.941 1.00 0.00 C ATOM 1014 CE1 TYR A 65 3.683 -14.857 -4.053 1.00 0.00 C ATOM 1015 CE2 TYR A 65 2.694 -14.477 -6.233 1.00 0.00 C ATOM 1016 CZ TYR A 65 3.250 -15.349 -5.290 1.00 0.00 C ATOM 1017 OH TYR A 65 3.369 -16.693 -5.579 1.00 0.00 O ATOM 0 H TYR A 65 0.369 -11.195 -4.379 1.00 0.00 H new ATOM 0 HA TYR A 65 2.408 -11.718 -2.383 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.385 -10.635 -5.213 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.860 -10.706 -4.268 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.895 -13.115 -2.805 1.00 0.00 H new ATOM 0 HD2 TYR A 65 2.146 -12.441 -6.670 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.112 -15.530 -3.325 1.00 0.00 H new ATOM 0 HE2 TYR A 65 2.358 -14.856 -7.187 1.00 0.00 H new ATOM 0 HH TYR A 65 3.020 -16.866 -6.478 1.00 0.00 H new ATOM 1027 N LEU A 66 3.096 -9.408 -1.573 1.00 0.00 N ATOM 1028 CA LEU A 66 3.303 -8.059 -0.962 1.00 0.00 C ATOM 1029 C LEU A 66 4.772 -7.651 -1.060 1.00 0.00 C ATOM 1030 O LEU A 66 5.637 -8.257 -0.447 1.00 0.00 O ATOM 1031 CB LEU A 66 2.886 -8.087 0.514 1.00 0.00 C ATOM 1032 CG LEU A 66 1.507 -8.742 0.663 1.00 0.00 C ATOM 1033 CD1 LEU A 66 1.172 -8.885 2.151 1.00 0.00 C ATOM 1034 CD2 LEU A 66 0.442 -7.874 -0.025 1.00 0.00 C ATOM 0 H LEU A 66 3.661 -10.155 -1.169 1.00 0.00 H new ATOM 0 HA LEU A 66 2.693 -7.336 -1.504 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.623 -8.638 1.097 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.859 -7.072 0.911 1.00 0.00 H new ATOM 0 HG LEU A 66 1.521 -9.727 0.196 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.192 -9.350 2.260 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.925 -9.507 2.635 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.160 -7.900 2.618 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.536 -8.343 0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.424 -6.887 0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.681 -7.775 -1.084 1.00 0.00 H new ATOM 1046 N ALA A 67 5.039 -6.605 -1.811 1.00 0.00 N ATOM 1047 CA ALA A 67 6.431 -6.087 -1.959 1.00 0.00 C ATOM 1048 C ALA A 67 6.569 -4.898 -1.013 1.00 0.00 C ATOM 1049 O ALA A 67 6.046 -3.830 -1.283 1.00 0.00 O ATOM 1050 CB ALA A 67 6.660 -5.632 -3.403 1.00 0.00 C ATOM 0 H ALA A 67 4.336 -6.083 -2.334 1.00 0.00 H new ATOM 0 HA ALA A 67 7.164 -6.859 -1.722 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.677 -5.254 -3.508 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.514 -6.476 -4.078 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.952 -4.842 -3.652 1.00 0.00 H new ATOM 1056 N GLU A 68 7.239 -5.086 0.105 1.00 0.00 N ATOM 1057 CA GLU A 68 7.382 -3.974 1.100 1.00 0.00 C ATOM 1058 C GLU A 68 8.800 -3.415 1.088 1.00 0.00 C ATOM 1059 O GLU A 68 9.724 -4.034 0.588 1.00 0.00 O ATOM 1060 CB GLU A 68 7.036 -4.470 2.510 1.00 0.00 C ATOM 1061 CG GLU A 68 7.677 -5.837 2.770 1.00 0.00 C ATOM 1062 CD GLU A 68 7.841 -6.049 4.276 1.00 0.00 C ATOM 1063 OE1 GLU A 68 6.864 -5.879 4.987 1.00 0.00 O ATOM 1064 OE2 GLU A 68 8.939 -6.377 4.691 1.00 0.00 O ATOM 0 H GLU A 68 7.691 -5.961 0.369 1.00 0.00 H new ATOM 0 HA GLU A 68 6.690 -3.180 0.819 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.386 -3.751 3.251 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.954 -4.542 2.621 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.057 -6.627 2.347 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.647 -5.895 2.277 1.00 0.00 H new ATOM 1071 N CYS A 69 8.953 -2.236 1.642 1.00 0.00 N ATOM 1072 CA CYS A 69 10.283 -1.563 1.697 1.00 0.00 C ATOM 1073 C CYS A 69 10.534 -1.064 3.123 1.00 0.00 C ATOM 1074 O CYS A 69 9.778 -0.258 3.641 1.00 0.00 O ATOM 1075 CB CYS A 69 10.274 -0.376 0.732 1.00 0.00 C ATOM 1076 SG CYS A 69 10.850 -0.908 -0.899 1.00 0.00 S ATOM 0 H CYS A 69 8.194 -1.703 2.066 1.00 0.00 H new ATOM 0 HA CYS A 69 11.071 -2.261 1.414 1.00 0.00 H new ATOM 0 HB2 CYS A 69 9.267 0.035 0.656 1.00 0.00 H new ATOM 0 HB3 CYS A 69 10.915 0.419 1.113 1.00 0.00 H new ATOM 1081 N ASN A 70 11.587 -1.543 3.753 1.00 0.00 N ATOM 1082 CA ASN A 70 11.909 -1.115 5.153 1.00 0.00 C ATOM 1083 C ASN A 70 13.196 -0.288 5.155 1.00 0.00 C ATOM 1084 O ASN A 70 14.234 -0.744 4.702 1.00 0.00 O ATOM 1085 CB ASN A 70 12.095 -2.354 6.032 1.00 0.00 C ATOM 1086 CG ASN A 70 10.834 -3.216 5.969 1.00 0.00 C ATOM 1087 OD1 ASN A 70 10.525 -3.785 4.941 1.00 0.00 O ATOM 1088 ND2 ASN A 70 10.082 -3.334 7.029 1.00 0.00 N ATOM 0 H ASN A 70 12.240 -2.217 3.352 1.00 0.00 H new ATOM 0 HA ASN A 70 11.092 -0.509 5.545 1.00 0.00 H new ATOM 0 HB2 ASN A 70 12.958 -2.927 5.693 1.00 0.00 H new ATOM 0 HB3 ASN A 70 12.294 -2.056 7.061 1.00 0.00 H new ATOM 0 HD21 ASN A 70 9.236 -3.903 6.994 1.00 0.00 H new ATOM 0 HD22 ASN A 70 10.340 -2.857 7.893 1.00 0.00 H new ATOM 1095 N VAL A 71 13.122 0.927 5.662 1.00 0.00 N ATOM 1096 CA VAL A 71 14.324 1.820 5.713 1.00 0.00 C ATOM 1097 C VAL A 71 15.315 1.251 6.734 1.00 0.00 C ATOM 1098 O VAL A 71 15.032 1.211 7.922 1.00 0.00 O ATOM 1099 CB VAL A 71 13.884 3.244 6.121 1.00 0.00 C ATOM 1100 CG1 VAL A 71 15.096 4.120 6.462 1.00 0.00 C ATOM 1101 CG2 VAL A 71 13.133 3.894 4.958 1.00 0.00 C ATOM 0 H VAL A 71 12.270 1.338 6.045 1.00 0.00 H new ATOM 0 HA VAL A 71 14.804 1.870 4.736 1.00 0.00 H new ATOM 0 HB VAL A 71 13.244 3.162 7.000 1.00 0.00 H new ATOM 0 HG11 VAL A 71 14.757 5.116 6.746 1.00 0.00 H new ATOM 0 HG12 VAL A 71 15.645 3.674 7.291 1.00 0.00 H new ATOM 0 HG13 VAL A 71 15.749 4.193 5.592 1.00 0.00 H new ATOM 0 HG21 VAL A 71 12.821 4.899 5.243 1.00 0.00 H new ATOM 0 HG22 VAL A 71 13.787 3.950 4.088 1.00 0.00 H new ATOM 0 HG23 VAL A 71 12.254 3.297 4.713 1.00 0.00 H new ATOM 1111 N LYS A 72 16.473 0.826 6.274 1.00 0.00 N ATOM 1112 CA LYS A 72 17.507 0.271 7.199 1.00 0.00 C ATOM 1113 C LYS A 72 17.936 1.382 8.178 1.00 0.00 C ATOM 1114 O LYS A 72 18.205 2.486 7.739 1.00 0.00 O ATOM 1115 CB LYS A 72 18.722 -0.194 6.390 1.00 0.00 C ATOM 1116 CG LYS A 72 18.548 -1.665 5.998 1.00 0.00 C ATOM 1117 CD LYS A 72 19.894 -2.389 6.105 1.00 0.00 C ATOM 1118 CE LYS A 72 20.321 -2.474 7.574 1.00 0.00 C ATOM 1119 NZ LYS A 72 21.763 -2.114 7.691 1.00 0.00 N ATOM 0 H LYS A 72 16.743 0.842 5.291 1.00 0.00 H new ATOM 0 HA LYS A 72 17.099 -0.577 7.750 1.00 0.00 H new ATOM 0 HB2 LYS A 72 18.833 0.420 5.496 1.00 0.00 H new ATOM 0 HB3 LYS A 72 19.632 -0.069 6.977 1.00 0.00 H new ATOM 0 HG2 LYS A 72 17.815 -2.141 6.649 1.00 0.00 H new ATOM 0 HG3 LYS A 72 18.165 -1.738 4.980 1.00 0.00 H new ATOM 0 HD2 LYS A 72 19.814 -3.390 5.681 1.00 0.00 H new ATOM 0 HD3 LYS A 72 20.650 -1.858 5.527 1.00 0.00 H new ATOM 0 HE2 LYS A 72 19.716 -1.800 8.180 1.00 0.00 H new ATOM 0 HE3 LYS A 72 20.154 -3.481 7.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 22.180 -2.610 8.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 22.262 -2.394 6.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 21.854 -1.087 7.827 1.00 0.00 H new ATOM 1133 N PRO A 73 17.984 1.083 9.475 1.00 0.00 N ATOM 1134 CA PRO A 73 18.372 2.080 10.496 1.00 0.00 C ATOM 1135 C PRO A 73 19.888 2.289 10.496 1.00 0.00 C ATOM 1136 O PRO A 73 20.641 1.402 10.131 1.00 0.00 O ATOM 1137 CB PRO A 73 17.901 1.461 11.814 1.00 0.00 C ATOM 1138 CG PRO A 73 17.792 -0.061 11.569 1.00 0.00 C ATOM 1139 CD PRO A 73 17.670 -0.253 10.047 1.00 0.00 C ATOM 0 HA PRO A 73 17.934 3.062 10.318 1.00 0.00 H new ATOM 0 HB2 PRO A 73 18.606 1.675 12.617 1.00 0.00 H new ATOM 0 HB3 PRO A 73 16.939 1.875 12.115 1.00 0.00 H new ATOM 0 HG2 PRO A 73 18.669 -0.580 11.956 1.00 0.00 H new ATOM 0 HG3 PRO A 73 16.924 -0.475 12.083 1.00 0.00 H new ATOM 0 HD2 PRO A 73 18.364 -1.012 9.686 1.00 0.00 H new ATOM 0 HD3 PRO A 73 16.668 -0.579 9.767 1.00 0.00 H new ATOM 1147 N ARG A 74 20.327 3.465 10.902 1.00 0.00 N ATOM 1148 CA ARG A 74 21.791 3.783 10.943 1.00 0.00 C ATOM 1149 C ARG A 74 22.352 3.777 9.512 1.00 0.00 C ATOM 1150 O ARG A 74 23.519 3.487 9.292 1.00 0.00 O ATOM 1151 CB ARG A 74 22.523 2.742 11.806 1.00 0.00 C ATOM 1152 CG ARG A 74 22.790 3.315 13.205 1.00 0.00 C ATOM 1153 CD ARG A 74 24.283 3.612 13.369 1.00 0.00 C ATOM 1154 NE ARG A 74 25.016 2.339 13.620 1.00 0.00 N ATOM 1155 CZ ARG A 74 26.190 2.144 13.083 1.00 0.00 C ATOM 1156 NH1 ARG A 74 26.310 2.075 11.785 1.00 0.00 N ATOM 1157 NH2 ARG A 74 27.241 2.017 13.846 1.00 0.00 N ATOM 0 H ARG A 74 19.721 4.225 11.210 1.00 0.00 H new ATOM 0 HA ARG A 74 21.941 4.770 11.382 1.00 0.00 H new ATOM 0 HB2 ARG A 74 21.923 1.835 11.884 1.00 0.00 H new ATOM 0 HB3 ARG A 74 23.464 2.462 11.333 1.00 0.00 H new ATOM 0 HG2 ARG A 74 22.211 4.227 13.351 1.00 0.00 H new ATOM 0 HG3 ARG A 74 22.465 2.606 13.966 1.00 0.00 H new ATOM 0 HD2 ARG A 74 24.669 4.096 12.472 1.00 0.00 H new ATOM 0 HD3 ARG A 74 24.439 4.304 14.197 1.00 0.00 H new ATOM 0 HE ARG A 74 24.600 1.620 14.212 1.00 0.00 H new ATOM 0 HH11 ARG A 74 25.487 2.173 11.191 1.00 0.00 H new ATOM 0 HH12 ARG A 74 27.227 1.923 11.365 1.00 0.00 H new ATOM 0 HH21 ARG A 74 27.144 2.070 14.860 1.00 0.00 H new ATOM 0 HH22 ARG A 74 28.159 1.865 13.428 1.00 0.00 H new ATOM 1171 N LYS A 75 21.518 4.101 8.543 1.00 0.00 N ATOM 1172 CA LYS A 75 21.969 4.124 7.115 1.00 0.00 C ATOM 1173 C LYS A 75 21.481 5.419 6.437 1.00 0.00 C ATOM 1174 O LYS A 75 20.570 6.054 6.936 1.00 0.00 O ATOM 1175 CB LYS A 75 21.399 2.904 6.390 1.00 0.00 C ATOM 1176 CG LYS A 75 22.156 1.648 6.834 1.00 0.00 C ATOM 1177 CD LYS A 75 23.544 1.620 6.183 1.00 0.00 C ATOM 1178 CE LYS A 75 24.357 0.457 6.755 1.00 0.00 C ATOM 1179 NZ LYS A 75 25.004 0.881 8.029 1.00 0.00 N ATOM 0 H LYS A 75 20.540 4.351 8.686 1.00 0.00 H new ATOM 0 HA LYS A 75 23.058 4.094 7.072 1.00 0.00 H new ATOM 0 HB2 LYS A 75 20.337 2.799 6.611 1.00 0.00 H new ATOM 0 HB3 LYS A 75 21.488 3.034 5.311 1.00 0.00 H new ATOM 0 HG2 LYS A 75 22.253 1.636 7.920 1.00 0.00 H new ATOM 0 HG3 LYS A 75 21.595 0.756 6.554 1.00 0.00 H new ATOM 0 HD2 LYS A 75 23.448 1.513 5.103 1.00 0.00 H new ATOM 0 HD3 LYS A 75 24.061 2.562 6.365 1.00 0.00 H new ATOM 0 HE2 LYS A 75 23.709 -0.401 6.932 1.00 0.00 H new ATOM 0 HE3 LYS A 75 25.115 0.142 6.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 24.942 0.109 8.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 26.003 1.108 7.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 24.519 1.722 8.402 1.00 0.00 H new ATOM 1193 N PRO A 76 22.108 5.788 5.320 1.00 0.00 N ATOM 1194 CA PRO A 76 21.749 7.020 4.582 1.00 0.00 C ATOM 1195 C PRO A 76 20.436 6.847 3.792 1.00 0.00 C ATOM 1196 O PRO A 76 20.419 6.862 2.570 1.00 0.00 O ATOM 1197 CB PRO A 76 22.952 7.252 3.654 1.00 0.00 C ATOM 1198 CG PRO A 76 23.655 5.885 3.496 1.00 0.00 C ATOM 1199 CD PRO A 76 23.222 5.024 4.696 1.00 0.00 C ATOM 0 HA PRO A 76 21.563 7.868 5.242 1.00 0.00 H new ATOM 0 HB2 PRO A 76 22.627 7.635 2.687 1.00 0.00 H new ATOM 0 HB3 PRO A 76 23.632 7.991 4.078 1.00 0.00 H new ATOM 0 HG2 PRO A 76 23.371 5.410 2.557 1.00 0.00 H new ATOM 0 HG3 PRO A 76 24.738 6.007 3.478 1.00 0.00 H new ATOM 0 HD2 PRO A 76 22.895 4.034 4.377 1.00 0.00 H new ATOM 0 HD3 PRO A 76 24.044 4.877 5.397 1.00 0.00 H new ATOM 1207 N CYS A 77 19.333 6.713 4.504 1.00 0.00 N ATOM 1208 CA CYS A 77 17.979 6.565 3.862 1.00 0.00 C ATOM 1209 C CYS A 77 18.020 5.579 2.670 1.00 0.00 C ATOM 1210 O CYS A 77 17.762 5.944 1.529 1.00 0.00 O ATOM 1211 CB CYS A 77 17.490 7.948 3.397 1.00 0.00 C ATOM 1212 SG CYS A 77 16.501 8.719 4.705 1.00 0.00 S ATOM 0 H CYS A 77 19.316 6.700 5.524 1.00 0.00 H new ATOM 0 HA CYS A 77 17.287 6.155 4.598 1.00 0.00 H new ATOM 0 HB2 CYS A 77 18.342 8.582 3.151 1.00 0.00 H new ATOM 0 HB3 CYS A 77 16.895 7.848 2.489 1.00 0.00 H new ATOM 1217 N LYS A 78 18.325 4.327 2.943 1.00 0.00 N ATOM 1218 CA LYS A 78 18.359 3.289 1.860 1.00 0.00 C ATOM 1219 C LYS A 78 17.238 2.278 2.129 1.00 0.00 C ATOM 1220 O LYS A 78 17.046 1.855 3.258 1.00 0.00 O ATOM 1221 CB LYS A 78 19.727 2.592 1.827 1.00 0.00 C ATOM 1222 CG LYS A 78 19.986 1.847 3.141 1.00 0.00 C ATOM 1223 CD LYS A 78 21.488 1.609 3.304 1.00 0.00 C ATOM 1224 CE LYS A 78 21.989 0.682 2.194 1.00 0.00 C ATOM 1225 NZ LYS A 78 23.479 0.726 2.144 1.00 0.00 N ATOM 0 H LYS A 78 18.553 3.980 3.875 1.00 0.00 H new ATOM 0 HA LYS A 78 18.207 3.757 0.887 1.00 0.00 H new ATOM 0 HB2 LYS A 78 19.764 1.892 0.993 1.00 0.00 H new ATOM 0 HB3 LYS A 78 20.513 3.329 1.660 1.00 0.00 H new ATOM 0 HG2 LYS A 78 19.605 2.427 3.982 1.00 0.00 H new ATOM 0 HG3 LYS A 78 19.454 0.896 3.143 1.00 0.00 H new ATOM 0 HD2 LYS A 78 22.022 2.558 3.266 1.00 0.00 H new ATOM 0 HD3 LYS A 78 21.692 1.167 4.279 1.00 0.00 H new ATOM 0 HE2 LYS A 78 21.651 -0.338 2.377 1.00 0.00 H new ATOM 0 HE3 LYS A 78 21.573 0.989 1.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 23.820 0.096 1.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 23.791 1.699 1.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 23.866 0.414 3.057 1.00 0.00 H new ATOM 1239 N TYR A 79 16.482 1.925 1.110 1.00 0.00 N ATOM 1240 CA TYR A 79 15.338 0.976 1.300 1.00 0.00 C ATOM 1241 C TYR A 79 15.733 -0.451 0.911 1.00 0.00 C ATOM 1242 O TYR A 79 16.452 -0.673 -0.049 1.00 0.00 O ATOM 1243 CB TYR A 79 14.150 1.425 0.426 1.00 0.00 C ATOM 1244 CG TYR A 79 13.043 2.027 1.274 1.00 0.00 C ATOM 1245 CD1 TYR A 79 12.662 1.430 2.485 1.00 0.00 C ATOM 1246 CD2 TYR A 79 12.387 3.181 0.834 1.00 0.00 C ATOM 1247 CE1 TYR A 79 11.632 1.987 3.250 1.00 0.00 C ATOM 1248 CE2 TYR A 79 11.358 3.741 1.600 1.00 0.00 C ATOM 1249 CZ TYR A 79 10.981 3.144 2.808 1.00 0.00 C ATOM 1250 OH TYR A 79 9.966 3.697 3.566 1.00 0.00 O ATOM 0 H TYR A 79 16.611 2.256 0.154 1.00 0.00 H new ATOM 0 HA TYR A 79 15.059 0.984 2.354 1.00 0.00 H new ATOM 0 HB2 TYR A 79 14.490 2.157 -0.307 1.00 0.00 H new ATOM 0 HB3 TYR A 79 13.762 0.572 -0.132 1.00 0.00 H new ATOM 0 HD1 TYR A 79 13.165 0.538 2.827 1.00 0.00 H new ATOM 0 HD2 TYR A 79 12.675 3.641 -0.099 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.339 1.524 4.181 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.855 4.634 1.259 1.00 0.00 H new ATOM 0 HH TYR A 79 9.621 4.497 3.117 1.00 0.00 H new ATOM 1260 N LYS A 80 15.222 -1.412 1.654 1.00 0.00 N ATOM 1261 CA LYS A 80 15.492 -2.854 1.367 1.00 0.00 C ATOM 1262 C LYS A 80 14.178 -3.488 0.900 1.00 0.00 C ATOM 1263 O LYS A 80 13.130 -3.223 1.468 1.00 0.00 O ATOM 1264 CB LYS A 80 15.978 -3.549 2.641 1.00 0.00 C ATOM 1265 CG LYS A 80 16.591 -4.903 2.285 1.00 0.00 C ATOM 1266 CD LYS A 80 17.671 -5.257 3.308 1.00 0.00 C ATOM 1267 CE LYS A 80 17.009 -5.600 4.644 1.00 0.00 C ATOM 1268 NZ LYS A 80 17.912 -6.486 5.432 1.00 0.00 N ATOM 0 H LYS A 80 14.619 -1.249 2.460 1.00 0.00 H new ATOM 0 HA LYS A 80 16.260 -2.957 0.600 1.00 0.00 H new ATOM 0 HB2 LYS A 80 16.715 -2.927 3.148 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.147 -3.685 3.333 1.00 0.00 H new ATOM 0 HG2 LYS A 80 15.819 -5.672 2.274 1.00 0.00 H new ATOM 0 HG3 LYS A 80 17.021 -4.868 1.284 1.00 0.00 H new ATOM 0 HD2 LYS A 80 18.261 -6.102 2.954 1.00 0.00 H new ATOM 0 HD3 LYS A 80 18.358 -4.420 3.434 1.00 0.00 H new ATOM 0 HE2 LYS A 80 16.798 -4.688 5.203 1.00 0.00 H new ATOM 0 HE3 LYS A 80 16.054 -6.096 4.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 17.463 -6.720 6.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 18.091 -7.361 4.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 18.813 -5.996 5.607 1.00 0.00 H new ATOM 1282 N LEU A 81 14.224 -4.295 -0.140 1.00 0.00 N ATOM 1283 CA LEU A 81 12.973 -4.928 -0.676 1.00 0.00 C ATOM 1284 C LEU A 81 12.693 -6.262 0.027 1.00 0.00 C ATOM 1285 O LEU A 81 13.603 -6.994 0.375 1.00 0.00 O ATOM 1286 CB LEU A 81 13.136 -5.168 -2.187 1.00 0.00 C ATOM 1287 CG LEU A 81 12.350 -4.116 -2.987 1.00 0.00 C ATOM 1288 CD1 LEU A 81 10.860 -4.201 -2.641 1.00 0.00 C ATOM 1289 CD2 LEU A 81 12.873 -2.715 -2.656 1.00 0.00 C ATOM 0 H LEU A 81 15.078 -4.542 -0.641 1.00 0.00 H new ATOM 0 HA LEU A 81 12.133 -4.258 -0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.191 -5.125 -2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 81 12.783 -6.167 -2.443 1.00 0.00 H new ATOM 0 HG LEU A 81 12.483 -4.310 -4.051 1.00 0.00 H new ATOM 0 HD11 LEU A 81 10.311 -3.452 -3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.485 -5.194 -2.889 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.723 -4.017 -1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 81 12.313 -1.974 -3.226 1.00 0.00 H new ATOM 0 HD22 LEU A 81 12.750 -2.523 -1.590 1.00 0.00 H new ATOM 0 HD23 LEU A 81 13.929 -2.650 -2.916 1.00 0.00 H new ATOM 1301 N LYS A 82 11.424 -6.575 0.211 1.00 0.00 N ATOM 1302 CA LYS A 82 11.019 -7.862 0.864 1.00 0.00 C ATOM 1303 C LYS A 82 9.747 -8.373 0.176 1.00 0.00 C ATOM 1304 O LYS A 82 8.923 -7.586 -0.262 1.00 0.00 O ATOM 1305 CB LYS A 82 10.746 -7.629 2.355 1.00 0.00 C ATOM 1306 CG LYS A 82 11.303 -8.800 3.170 1.00 0.00 C ATOM 1307 CD LYS A 82 12.832 -8.743 3.170 1.00 0.00 C ATOM 1308 CE LYS A 82 13.373 -9.469 4.403 1.00 0.00 C ATOM 1309 NZ LYS A 82 13.302 -10.941 4.184 1.00 0.00 N ATOM 0 H LYS A 82 10.644 -5.981 -0.070 1.00 0.00 H new ATOM 0 HA LYS A 82 11.819 -8.597 0.769 1.00 0.00 H new ATOM 0 HB2 LYS A 82 11.208 -6.696 2.678 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.674 -7.530 2.527 1.00 0.00 H new ATOM 0 HG2 LYS A 82 10.927 -8.756 4.192 1.00 0.00 H new ATOM 0 HG3 LYS A 82 10.964 -9.745 2.746 1.00 0.00 H new ATOM 0 HD2 LYS A 82 13.223 -9.204 2.263 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.167 -7.706 3.170 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.403 -9.168 4.592 1.00 0.00 H new ATOM 0 HE3 LYS A 82 12.793 -9.193 5.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 13.670 -11.435 5.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 12.313 -11.221 4.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 13.873 -11.196 3.353 1.00 0.00 H new ATOM 1323 N LYS A 83 9.593 -9.676 0.070 1.00 0.00 N ATOM 1324 CA LYS A 83 8.385 -10.256 -0.601 1.00 0.00 C ATOM 1325 C LYS A 83 7.576 -11.087 0.398 1.00 0.00 C ATOM 1326 O LYS A 83 8.131 -11.681 1.308 1.00 0.00 O ATOM 1327 CB LYS A 83 8.833 -11.150 -1.761 1.00 0.00 C ATOM 1328 CG LYS A 83 9.573 -10.305 -2.801 1.00 0.00 C ATOM 1329 CD LYS A 83 11.042 -10.154 -2.397 1.00 0.00 C ATOM 1330 CE LYS A 83 11.919 -10.189 -3.650 1.00 0.00 C ATOM 1331 NZ LYS A 83 11.865 -11.549 -4.255 1.00 0.00 N ATOM 0 H LYS A 83 10.258 -10.364 0.423 1.00 0.00 H new ATOM 0 HA LYS A 83 7.760 -9.446 -0.977 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.483 -11.943 -1.392 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.969 -11.632 -2.217 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.503 -10.775 -3.782 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.106 -9.323 -2.884 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.189 -9.215 -1.863 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.328 -10.956 -1.717 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.575 -9.445 -4.369 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.947 -9.933 -3.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.786 -11.776 -4.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.642 -12.248 -3.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.129 -11.573 -4.989 1.00 0.00 H new ATOM 1345 N SER A 84 6.268 -11.127 0.227 1.00 0.00 N ATOM 1346 CA SER A 84 5.391 -11.915 1.153 1.00 0.00 C ATOM 1347 C SER A 84 4.046 -12.212 0.484 1.00 0.00 C ATOM 1348 O SER A 84 3.836 -11.905 -0.678 1.00 0.00 O ATOM 1349 CB SER A 84 5.153 -11.116 2.434 1.00 0.00 C ATOM 1350 OG SER A 84 6.382 -10.554 2.873 1.00 0.00 O ATOM 0 H SER A 84 5.772 -10.643 -0.521 1.00 0.00 H new ATOM 0 HA SER A 84 5.886 -12.856 1.391 1.00 0.00 H new ATOM 0 HB2 SER A 84 4.423 -10.327 2.254 1.00 0.00 H new ATOM 0 HB3 SER A 84 4.739 -11.762 3.208 1.00 0.00 H new ATOM 0 HG SER A 84 7.119 -11.157 2.642 1.00 0.00 H new ATOM 1356 N SER A 85 3.146 -12.815 1.227 1.00 0.00 N ATOM 1357 CA SER A 85 1.790 -13.167 0.692 1.00 0.00 C ATOM 1358 C SER A 85 0.792 -13.202 1.853 1.00 0.00 C ATOM 1359 O SER A 85 0.947 -13.983 2.778 1.00 0.00 O ATOM 1360 CB SER A 85 1.851 -14.540 0.027 1.00 0.00 C ATOM 1361 OG SER A 85 2.392 -15.481 0.946 1.00 0.00 O ATOM 0 H SER A 85 3.297 -13.083 2.200 1.00 0.00 H new ATOM 0 HA SER A 85 1.474 -12.425 -0.041 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.854 -14.851 -0.285 1.00 0.00 H new ATOM 0 HB3 SER A 85 2.467 -14.495 -0.871 1.00 0.00 H new ATOM 0 HG SER A 85 2.091 -15.263 1.853 1.00 0.00 H new ATOM 1367 N ASN A 86 -0.219 -12.353 1.814 1.00 0.00 N ATOM 1368 CA ASN A 86 -1.226 -12.318 2.924 1.00 0.00 C ATOM 1369 C ASN A 86 -2.394 -11.390 2.561 1.00 0.00 C ATOM 1370 O ASN A 86 -2.354 -10.689 1.560 1.00 0.00 O ATOM 1371 CB ASN A 86 -0.531 -11.797 4.188 1.00 0.00 C ATOM 1372 CG ASN A 86 -1.332 -12.188 5.431 1.00 0.00 C ATOM 1373 OD1 ASN A 86 -2.068 -11.286 6.024 1.00 0.00 O flip ATOM 1374 ND2 ASN A 86 -1.292 -13.322 5.863 1.00 0.00 N flip ATOM 0 H ASN A 86 -0.386 -11.686 1.060 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.622 -13.320 3.090 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.477 -12.207 4.252 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -0.432 -10.713 4.137 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -0.717 -14.025 5.399 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.834 -13.572 6.690 1.00 0.00 H new ATOM 1381 N ARG A 87 -3.425 -11.385 3.386 1.00 0.00 N ATOM 1382 CA ARG A 87 -4.617 -10.511 3.151 1.00 0.00 C ATOM 1383 C ARG A 87 -4.357 -9.138 3.788 1.00 0.00 C ATOM 1384 O ARG A 87 -3.339 -8.939 4.437 1.00 0.00 O ATOM 1385 CB ARG A 87 -5.844 -11.159 3.800 1.00 0.00 C ATOM 1386 CG ARG A 87 -6.183 -12.471 3.070 1.00 0.00 C ATOM 1387 CD ARG A 87 -6.259 -13.623 4.076 1.00 0.00 C ATOM 1388 NE ARG A 87 -6.509 -14.899 3.347 1.00 0.00 N ATOM 1389 CZ ARG A 87 -7.706 -15.172 2.906 1.00 0.00 C ATOM 1390 NH1 ARG A 87 -8.732 -15.089 3.708 1.00 0.00 N ATOM 1391 NH2 ARG A 87 -7.879 -15.525 1.661 1.00 0.00 N ATOM 0 H ARG A 87 -3.485 -11.962 4.225 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.794 -10.390 2.082 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.648 -11.358 4.854 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.693 -10.477 3.757 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.134 -12.371 2.546 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.425 -12.684 2.316 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.329 -13.690 4.641 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.057 -13.440 4.796 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.745 -15.558 3.193 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.598 -14.811 4.680 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.668 -15.303 3.363 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.078 -15.587 1.033 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.815 -15.738 1.317 1.00 0.00 H new ATOM 1405 N ILE A 88 -5.258 -8.186 3.606 1.00 0.00 N ATOM 1406 CA ILE A 88 -5.041 -6.825 4.195 1.00 0.00 C ATOM 1407 C ILE A 88 -6.367 -6.181 4.606 1.00 0.00 C ATOM 1408 O ILE A 88 -7.376 -6.321 3.935 1.00 0.00 O ATOM 1409 CB ILE A 88 -4.344 -5.933 3.164 1.00 0.00 C ATOM 1410 CG1 ILE A 88 -5.126 -5.959 1.848 1.00 0.00 C ATOM 1411 CG2 ILE A 88 -2.927 -6.450 2.920 1.00 0.00 C ATOM 1412 CD1 ILE A 88 -4.793 -4.711 1.029 1.00 0.00 C ATOM 0 H ILE A 88 -6.124 -8.298 3.079 1.00 0.00 H new ATOM 0 HA ILE A 88 -4.421 -6.931 5.085 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.302 -4.911 3.541 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.875 -6.856 1.282 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.196 -5.999 2.050 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.430 -5.816 2.186 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.367 -6.431 3.855 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.972 -7.472 2.545 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.350 -4.731 0.093 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.066 -3.821 1.595 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.724 -4.691 0.815 1.00 0.00 H new ATOM 1424 N CYS A 89 -6.339 -5.455 5.702 1.00 0.00 N ATOM 1425 CA CYS A 89 -7.552 -4.744 6.210 1.00 0.00 C ATOM 1426 C CYS A 89 -7.443 -3.282 5.777 1.00 0.00 C ATOM 1427 O CYS A 89 -6.554 -2.576 6.222 1.00 0.00 O ATOM 1428 CB CYS A 89 -7.578 -4.833 7.738 1.00 0.00 C ATOM 1429 SG CYS A 89 -9.220 -4.393 8.359 1.00 0.00 S ATOM 0 H CYS A 89 -5.506 -5.325 6.276 1.00 0.00 H new ATOM 0 HA CYS A 89 -8.465 -5.190 5.815 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -7.319 -5.843 8.056 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -6.829 -4.164 8.162 1.00 0.00 H new ATOM 1434 N ILE A 90 -8.313 -2.839 4.892 1.00 0.00 N ATOM 1435 CA ILE A 90 -8.240 -1.424 4.391 1.00 0.00 C ATOM 1436 C ILE A 90 -9.547 -0.675 4.643 1.00 0.00 C ATOM 1437 O ILE A 90 -10.614 -1.263 4.698 1.00 0.00 O ATOM 1438 CB ILE A 90 -7.947 -1.431 2.886 1.00 0.00 C ATOM 1439 CG1 ILE A 90 -8.894 -2.414 2.176 1.00 0.00 C ATOM 1440 CG2 ILE A 90 -6.494 -1.856 2.653 1.00 0.00 C ATOM 1441 CD1 ILE A 90 -8.640 -2.397 0.664 1.00 0.00 C ATOM 0 H ILE A 90 -9.070 -3.397 4.496 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.442 -0.914 4.931 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.103 -0.431 2.482 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -8.744 -3.421 2.566 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -9.930 -2.144 2.381 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.284 -1.862 1.584 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.825 -1.154 3.151 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.338 -2.856 3.059 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -9.317 -3.097 0.174 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.814 -1.393 0.277 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.609 -2.689 0.465 1.00 0.00 H new ATOM 1453 N ARG A 91 -9.453 0.634 4.774 1.00 0.00 N ATOM 1454 CA ARG A 91 -10.662 1.482 4.998 1.00 0.00 C ATOM 1455 C ARG A 91 -11.208 1.895 3.630 1.00 0.00 C ATOM 1456 O ARG A 91 -10.527 2.567 2.865 1.00 0.00 O ATOM 1457 CB ARG A 91 -10.273 2.714 5.813 1.00 0.00 C ATOM 1458 CG ARG A 91 -11.526 3.518 6.161 1.00 0.00 C ATOM 1459 CD ARG A 91 -11.127 4.760 6.959 1.00 0.00 C ATOM 1460 NE ARG A 91 -10.337 4.346 8.153 1.00 0.00 N ATOM 1461 CZ ARG A 91 -9.414 5.135 8.631 1.00 0.00 C ATOM 1462 NH1 ARG A 91 -9.660 6.408 8.789 1.00 0.00 N ATOM 1463 NH2 ARG A 91 -8.245 4.651 8.950 1.00 0.00 N ATOM 0 H ARG A 91 -8.575 1.151 4.734 1.00 0.00 H new ATOM 0 HA ARG A 91 -11.425 0.933 5.549 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.759 2.411 6.725 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -9.578 3.333 5.245 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -12.049 3.810 5.250 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -12.215 2.905 6.742 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -10.539 5.434 6.335 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.017 5.308 7.269 1.00 0.00 H new ATOM 0 HE ARG A 91 -10.518 3.446 8.597 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -10.574 6.786 8.539 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.938 7.024 9.163 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -8.053 3.657 8.826 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -7.523 5.267 9.324 1.00 0.00 H new ATOM 1477 N CYS A 92 -12.412 1.464 3.305 1.00 0.00 N ATOM 1478 CA CYS A 92 -13.002 1.776 1.965 1.00 0.00 C ATOM 1479 C CYS A 92 -14.258 2.640 2.076 1.00 0.00 C ATOM 1480 O CYS A 92 -15.095 2.452 2.941 1.00 0.00 O ATOM 1481 CB CYS A 92 -13.363 0.468 1.261 1.00 0.00 C ATOM 1482 SG CYS A 92 -13.183 0.676 -0.528 1.00 0.00 S ATOM 0 H CYS A 92 -13.009 0.908 3.917 1.00 0.00 H new ATOM 0 HA CYS A 92 -12.258 2.335 1.397 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -12.716 -0.336 1.611 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -14.387 0.183 1.504 1.00 0.00 H new ATOM 1487 N GLU A 93 -14.384 3.560 1.151 1.00 0.00 N ATOM 1488 CA GLU A 93 -15.571 4.465 1.078 1.00 0.00 C ATOM 1489 C GLU A 93 -15.710 4.891 -0.383 1.00 0.00 C ATOM 1490 O GLU A 93 -14.717 5.140 -1.046 1.00 0.00 O ATOM 1491 CB GLU A 93 -15.381 5.693 1.978 1.00 0.00 C ATOM 1492 CG GLU A 93 -13.958 6.244 1.830 1.00 0.00 C ATOM 1493 CD GLU A 93 -13.909 7.682 2.348 1.00 0.00 C ATOM 1494 OE1 GLU A 93 -14.307 8.569 1.612 1.00 0.00 O ATOM 1495 OE2 GLU A 93 -13.474 7.872 3.473 1.00 0.00 O ATOM 0 H GLU A 93 -13.690 3.725 0.422 1.00 0.00 H new ATOM 0 HA GLU A 93 -16.468 3.952 1.426 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -16.106 6.463 1.713 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -15.568 5.423 3.017 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -13.257 5.622 2.386 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -13.652 6.213 0.784 1.00 0.00 H new ATOM 1502 N HIS A 94 -16.921 4.921 -0.900 1.00 0.00 N ATOM 1503 CA HIS A 94 -17.129 5.270 -2.344 1.00 0.00 C ATOM 1504 C HIS A 94 -16.428 4.196 -3.195 1.00 0.00 C ATOM 1505 O HIS A 94 -15.972 4.459 -4.300 1.00 0.00 O ATOM 1506 CB HIS A 94 -16.524 6.646 -2.655 1.00 0.00 C ATOM 1507 CG HIS A 94 -17.039 7.666 -1.685 1.00 0.00 C ATOM 1508 ND1 HIS A 94 -18.346 8.127 -1.712 1.00 0.00 N ATOM 1509 CD2 HIS A 94 -16.426 8.337 -0.664 1.00 0.00 C ATOM 1510 CE1 HIS A 94 -18.474 9.038 -0.730 1.00 0.00 C ATOM 1511 NE2 HIS A 94 -17.331 9.205 -0.059 1.00 0.00 N ATOM 0 H HIS A 94 -17.775 4.718 -0.381 1.00 0.00 H new ATOM 0 HA HIS A 94 -18.195 5.307 -2.567 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -15.437 6.595 -2.598 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -16.776 6.941 -3.673 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -15.394 8.212 -0.371 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -19.389 9.569 -0.511 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -17.159 9.833 0.726 1.00 0.00 H new ATOM 1519 N GLU A 95 -16.325 2.988 -2.667 1.00 0.00 N ATOM 1520 CA GLU A 95 -15.638 1.874 -3.398 1.00 0.00 C ATOM 1521 C GLU A 95 -14.151 2.242 -3.561 1.00 0.00 C ATOM 1522 O GLU A 95 -13.497 1.823 -4.504 1.00 0.00 O ATOM 1523 CB GLU A 95 -16.287 1.680 -4.782 1.00 0.00 C ATOM 1524 CG GLU A 95 -17.815 1.640 -4.643 1.00 0.00 C ATOM 1525 CD GLU A 95 -18.405 2.984 -5.077 1.00 0.00 C ATOM 1526 OE1 GLU A 95 -18.077 3.427 -6.166 1.00 0.00 O ATOM 1527 OE2 GLU A 95 -19.172 3.546 -4.313 1.00 0.00 O ATOM 0 H GLU A 95 -16.693 2.731 -1.751 1.00 0.00 H new ATOM 0 HA GLU A 95 -15.731 0.944 -2.837 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -15.995 2.493 -5.447 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -15.930 0.755 -5.234 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -18.225 0.837 -5.255 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -18.091 1.427 -3.610 1.00 0.00 H new ATOM 1534 N LEU A 96 -13.628 3.043 -2.646 1.00 0.00 N ATOM 1535 CA LEU A 96 -12.201 3.488 -2.724 1.00 0.00 C ATOM 1536 C LEU A 96 -11.460 3.208 -1.389 1.00 0.00 C ATOM 1537 O LEU A 96 -11.592 3.984 -0.455 1.00 0.00 O ATOM 1538 CB LEU A 96 -12.191 5.002 -2.993 1.00 0.00 C ATOM 1539 CG LEU A 96 -11.825 5.289 -4.449 1.00 0.00 C ATOM 1540 CD1 LEU A 96 -12.920 4.754 -5.375 1.00 0.00 C ATOM 1541 CD2 LEU A 96 -11.689 6.807 -4.645 1.00 0.00 C ATOM 0 H LEU A 96 -14.142 3.406 -1.843 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.694 2.941 -3.519 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -13.171 5.423 -2.769 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -11.476 5.490 -2.330 1.00 0.00 H new ATOM 0 HG LEU A 96 -10.882 4.798 -4.689 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -12.654 4.962 -6.411 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -13.021 3.678 -5.235 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -13.866 5.241 -5.139 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -11.428 7.018 -5.682 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -12.635 7.291 -4.403 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -10.907 7.190 -3.989 1.00 0.00 H new ATOM 1553 N PRO A 97 -10.662 2.141 -1.337 1.00 0.00 N ATOM 1554 CA PRO A 97 -9.866 1.820 -0.133 1.00 0.00 C ATOM 1555 C PRO A 97 -8.663 2.762 -0.100 1.00 0.00 C ATOM 1556 O PRO A 97 -7.655 2.525 -0.744 1.00 0.00 O ATOM 1557 CB PRO A 97 -9.471 0.353 -0.328 1.00 0.00 C ATOM 1558 CG PRO A 97 -9.593 0.056 -1.840 1.00 0.00 C ATOM 1559 CD PRO A 97 -10.482 1.165 -2.443 1.00 0.00 C ATOM 0 HA PRO A 97 -10.388 1.948 0.815 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -8.453 0.177 0.020 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -10.123 -0.303 0.249 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -8.611 0.048 -2.313 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -10.035 -0.927 -2.006 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -10.007 1.628 -3.308 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -11.439 0.767 -2.781 1.00 0.00 H new ATOM 1567 N VAL A 98 -8.810 3.863 0.604 1.00 0.00 N ATOM 1568 CA VAL A 98 -7.733 4.908 0.657 1.00 0.00 C ATOM 1569 C VAL A 98 -6.698 4.635 1.751 1.00 0.00 C ATOM 1570 O VAL A 98 -5.572 5.101 1.653 1.00 0.00 O ATOM 1571 CB VAL A 98 -8.388 6.269 0.915 1.00 0.00 C ATOM 1572 CG1 VAL A 98 -9.394 6.558 -0.195 1.00 0.00 C ATOM 1573 CG2 VAL A 98 -9.123 6.253 2.263 1.00 0.00 C ATOM 0 H VAL A 98 -9.642 4.084 1.151 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.206 4.892 -0.297 1.00 0.00 H new ATOM 0 HB VAL A 98 -7.617 7.039 0.935 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -9.864 7.525 -0.017 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -8.880 6.575 -1.156 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -10.158 5.780 -0.206 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -9.585 7.225 2.437 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -9.894 5.482 2.248 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -8.413 6.041 3.062 1.00 0.00 H new ATOM 1583 N HIS A 99 -7.066 3.928 2.797 1.00 0.00 N ATOM 1584 CA HIS A 99 -6.093 3.673 3.910 1.00 0.00 C ATOM 1585 C HIS A 99 -6.026 2.191 4.260 1.00 0.00 C ATOM 1586 O HIS A 99 -6.824 1.392 3.799 1.00 0.00 O ATOM 1587 CB HIS A 99 -6.521 4.464 5.148 1.00 0.00 C ATOM 1588 CG HIS A 99 -5.871 5.823 5.136 1.00 0.00 C ATOM 1589 ND1 HIS A 99 -6.322 6.864 5.933 1.00 0.00 N ATOM 1590 CD2 HIS A 99 -4.802 6.327 4.433 1.00 0.00 C ATOM 1591 CE1 HIS A 99 -5.535 7.929 5.694 1.00 0.00 C ATOM 1592 NE2 HIS A 99 -4.594 7.656 4.788 1.00 0.00 N ATOM 0 H HIS A 99 -7.991 3.519 2.927 1.00 0.00 H new ATOM 0 HA HIS A 99 -5.105 3.992 3.578 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -7.606 4.570 5.166 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -6.238 3.924 6.052 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -7.108 6.829 6.583 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -4.214 5.775 3.715 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -5.651 8.888 6.177 1.00 0.00 H new ATOM 1600 N PHE A 100 -5.068 1.839 5.091 1.00 0.00 N ATOM 1601 CA PHE A 100 -4.892 0.423 5.530 1.00 0.00 C ATOM 1602 C PHE A 100 -4.967 0.368 7.059 1.00 0.00 C ATOM 1603 O PHE A 100 -4.135 0.938 7.745 1.00 0.00 O ATOM 1604 CB PHE A 100 -3.534 -0.106 5.051 1.00 0.00 C ATOM 1605 CG PHE A 100 -2.425 0.810 5.513 1.00 0.00 C ATOM 1606 CD1 PHE A 100 -2.137 1.983 4.803 1.00 0.00 C ATOM 1607 CD2 PHE A 100 -1.676 0.479 6.649 1.00 0.00 C ATOM 1608 CE1 PHE A 100 -1.105 2.825 5.230 1.00 0.00 C ATOM 1609 CE2 PHE A 100 -0.644 1.321 7.076 1.00 0.00 C ATOM 1610 CZ PHE A 100 -0.358 2.494 6.368 1.00 0.00 C ATOM 0 H PHE A 100 -4.391 2.490 5.488 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.678 -0.198 5.101 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -3.370 -1.112 5.438 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -3.527 -0.178 3.963 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -2.712 2.237 3.925 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -1.895 -0.426 7.195 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -0.884 3.730 4.683 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.067 1.066 7.953 1.00 0.00 H new ATOM 0 HZ PHE A 100 0.439 3.144 6.699 1.00 0.00 H new ATOM 1620 N ALA A 101 -5.964 -0.310 7.589 1.00 0.00 N ATOM 1621 CA ALA A 101 -6.126 -0.414 9.073 1.00 0.00 C ATOM 1622 C ALA A 101 -5.034 -1.318 9.640 1.00 0.00 C ATOM 1623 O ALA A 101 -4.400 -0.990 10.630 1.00 0.00 O ATOM 1624 CB ALA A 101 -7.494 -1.011 9.398 1.00 0.00 C ATOM 0 H ALA A 101 -6.677 -0.799 7.048 1.00 0.00 H new ATOM 0 HA ALA A 101 -6.048 0.579 9.516 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.611 -1.086 10.479 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.277 -0.370 8.992 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.572 -2.004 8.955 1.00 0.00 H new ATOM 1630 N GLY A 102 -4.823 -2.452 9.012 1.00 0.00 N ATOM 1631 CA GLY A 102 -3.778 -3.412 9.488 1.00 0.00 C ATOM 1632 C GLY A 102 -3.604 -4.535 8.464 1.00 0.00 C ATOM 1633 O GLY A 102 -3.873 -4.355 7.288 1.00 0.00 O ATOM 0 H GLY A 102 -5.335 -2.754 8.183 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.832 -2.891 9.635 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.066 -3.828 10.453 1.00 0.00 H new ATOM 1637 N VAL A 103 -3.148 -5.685 8.914 1.00 0.00 N ATOM 1638 CA VAL A 103 -2.933 -6.846 7.996 1.00 0.00 C ATOM 1639 C VAL A 103 -3.635 -8.092 8.555 1.00 0.00 C ATOM 1640 O VAL A 103 -3.905 -8.176 9.742 1.00 0.00 O ATOM 1641 CB VAL A 103 -1.423 -7.103 7.871 1.00 0.00 C ATOM 1642 CG1 VAL A 103 -0.833 -7.479 9.238 1.00 0.00 C ATOM 1643 CG2 VAL A 103 -1.172 -8.239 6.875 1.00 0.00 C ATOM 0 H VAL A 103 -2.914 -5.866 9.890 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.351 -6.624 7.014 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.940 -6.193 7.514 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.237 -7.658 9.135 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.998 -6.664 9.942 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -1.318 -8.382 9.608 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -0.100 -8.418 6.790 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.664 -9.146 7.226 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.573 -7.963 5.900 1.00 0.00 H new ATOM 1653 N GLY A 104 -3.913 -9.059 7.701 1.00 0.00 N ATOM 1654 CA GLY A 104 -4.584 -10.322 8.151 1.00 0.00 C ATOM 1655 C GLY A 104 -6.058 -10.051 8.460 1.00 0.00 C ATOM 1656 O GLY A 104 -6.911 -10.192 7.599 1.00 0.00 O ATOM 0 H GLY A 104 -3.700 -9.022 6.704 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -4.501 -11.084 7.376 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -4.084 -10.713 9.037 1.00 0.00 H new ATOM 1660 N ILE A 105 -6.355 -9.674 9.688 1.00 0.00 N ATOM 1661 CA ILE A 105 -7.767 -9.394 10.092 1.00 0.00 C ATOM 1662 C ILE A 105 -7.819 -8.111 10.924 1.00 0.00 C ATOM 1663 O ILE A 105 -6.800 -7.608 11.365 1.00 0.00 O ATOM 1664 CB ILE A 105 -8.317 -10.562 10.923 1.00 0.00 C ATOM 1665 CG1 ILE A 105 -7.312 -10.937 12.049 1.00 0.00 C ATOM 1666 CG2 ILE A 105 -8.617 -11.758 10.003 1.00 0.00 C ATOM 1667 CD1 ILE A 105 -6.265 -11.973 11.594 1.00 0.00 C ATOM 0 H ILE A 105 -5.668 -9.549 10.431 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.375 -9.274 9.195 1.00 0.00 H new ATOM 0 HB ILE A 105 -9.250 -10.265 11.402 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.801 -10.036 12.389 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.861 -11.333 12.903 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -9.007 -12.585 10.597 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -9.356 -11.467 9.257 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -7.701 -12.071 9.503 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -5.591 -12.196 12.421 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.770 -12.887 11.281 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.693 -11.569 10.758 1.00 0.00 H new ATOM 1679 N CYS A 106 -9.010 -7.585 11.132 1.00 0.00 N ATOM 1680 CA CYS A 106 -9.176 -6.327 11.930 1.00 0.00 C ATOM 1681 C CYS A 106 -9.890 -6.653 13.258 1.00 0.00 C ATOM 1682 O CYS A 106 -10.712 -7.551 13.289 1.00 0.00 O ATOM 1683 CB CYS A 106 -10.017 -5.325 11.130 1.00 0.00 C ATOM 1684 SG CYS A 106 -8.930 -4.112 10.339 1.00 0.00 S ATOM 0 H CYS A 106 -9.881 -7.981 10.777 1.00 0.00 H new ATOM 0 HA CYS A 106 -8.197 -5.895 12.140 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -10.604 -5.849 10.375 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -10.723 -4.820 11.789 1.00 0.00 H new ATOM 1689 N PRO A 107 -9.567 -5.916 14.322 1.00 0.00 N ATOM 1690 CA PRO A 107 -10.190 -6.129 15.646 1.00 0.00 C ATOM 1691 C PRO A 107 -11.583 -5.493 15.686 1.00 0.00 C ATOM 1692 O PRO A 107 -11.661 -4.278 15.609 1.00 0.00 O ATOM 1693 CB PRO A 107 -9.243 -5.418 16.616 1.00 0.00 C ATOM 1694 CG PRO A 107 -8.466 -4.373 15.783 1.00 0.00 C ATOM 1695 CD PRO A 107 -8.563 -4.818 14.311 1.00 0.00 C ATOM 1696 OXT PRO A 107 -12.548 -6.234 15.790 1.00 0.00 O ATOM 0 HA PRO A 107 -10.324 -7.183 15.889 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -9.800 -4.937 17.420 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -8.560 -6.128 17.082 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -8.892 -3.378 15.915 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -7.425 -4.319 16.103 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -8.879 -3.997 13.668 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -7.600 -5.164 13.936 1.00 0.00 H new TER 1704 PRO A 107