USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 704 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 65 MET CE :methyl -142:sc= -1.45 (180deg=-5.27!) USER MOD Set 1.2: A 67 GLN : amide:sc= -4.85! C(o=-8.8!,f=-9.4!) USER MOD Set 1.3: A 75 HIS : no HE2:sc= -2.48 K(o=-8.8,f=-14!) USER MOD Set 2.1: A 7 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 37 MET CE :methyl 141:sc= -2.51 (180deg=-8.71!) USER MOD Set 3.1: A 35 ASN : amide:sc= 0.167 K(o=-1.5,f=-15!) USER MOD Set 3.2: A 47 LYS NZ :NH3+ -152:sc= -1.67! (180deg=-0.715) USER MOD Set 4.1: A 1 MET CE :methyl 136:sc= -1.04 (180deg=-2.25!) USER MOD Set 4.2: A 3 LYS NZ :NH3+ -118:sc= 0.522 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 137:sc= -3.45! (180deg=-6.38!) USER MOD Single : A 5 TYR OH : rot 30:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.0903 X(o=-0.09,f=0) USER MOD Single : A 12 HIS : no HD1:sc= -1.35 K(o=-1.4,f=0.23) USER MOD Single : A 13 LYS NZ :NH3+ 154:sc= -0.0292 (180deg=-0.418) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0.66 K(o=0.66,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 82:sc= 1.02 USER MOD Single : A 27 LYS NZ :NH3+ -148:sc= -0.296 (180deg=-1.39!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.526 K(o=-0.53,f=-2.8!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.359 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.735 K(o=-0.74,f=-4.6!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 152:sc= -0.212 (180deg=-1.09) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.958 1.061 -5.084 1.00 0.00 N ATOM 2 CA MET A 1 -10.887 0.029 -5.034 1.00 0.00 C ATOM 3 C MET A 1 -9.677 0.511 -4.240 1.00 0.00 C ATOM 4 O MET A 1 -9.156 1.597 -4.485 1.00 0.00 O ATOM 5 CB MET A 1 -10.492 -0.300 -6.471 1.00 0.00 C ATOM 6 CG MET A 1 -9.301 -1.224 -6.621 1.00 0.00 C ATOM 7 SD MET A 1 -8.578 -1.139 -8.270 1.00 0.00 S ATOM 8 CE MET A 1 -8.197 0.608 -8.382 1.00 0.00 C ATOM 0 H1 MET A 1 -12.347 1.111 -6.047 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.715 0.808 -4.417 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.561 1.986 -4.823 1.00 0.00 H new ATOM 0 HA MET A 1 -11.259 -0.860 -4.525 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.348 -0.754 -6.971 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.276 0.632 -6.993 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.545 -0.963 -5.881 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.610 -2.249 -6.414 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.202 0.737 -8.807 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.931 1.100 -9.020 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.226 1.051 -7.387 1.00 0.00 H new ATOM 20 N PHE A 2 -9.234 -0.303 -3.289 1.00 0.00 N ATOM 21 CA PHE A 2 -8.089 0.054 -2.466 1.00 0.00 C ATOM 22 C PHE A 2 -6.819 0.084 -3.303 1.00 0.00 C ATOM 23 O PHE A 2 -6.702 -0.626 -4.301 1.00 0.00 O ATOM 24 CB PHE A 2 -7.927 -0.927 -1.304 1.00 0.00 C ATOM 25 CG PHE A 2 -8.996 -0.804 -0.256 1.00 0.00 C ATOM 26 CD1 PHE A 2 -10.206 -1.459 -0.404 1.00 0.00 C ATOM 27 CD2 PHE A 2 -8.787 -0.038 0.878 1.00 0.00 C ATOM 28 CE1 PHE A 2 -11.189 -1.353 0.560 1.00 0.00 C ATOM 29 CE2 PHE A 2 -9.766 0.071 1.846 1.00 0.00 C ATOM 30 CZ PHE A 2 -10.970 -0.587 1.687 1.00 0.00 C ATOM 0 H PHE A 2 -9.649 -1.209 -3.071 1.00 0.00 H new ATOM 0 HA PHE A 2 -8.265 1.049 -2.057 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -7.930 -1.944 -1.696 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -6.954 -0.768 -0.839 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -10.384 -2.060 -1.284 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -7.848 0.480 1.007 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -12.129 -1.869 0.432 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -9.590 0.671 2.727 1.00 0.00 H new ATOM 0 HZ PHE A 2 -11.738 -0.502 2.442 1.00 0.00 H new ATOM 40 N LYS A 3 -5.874 0.915 -2.891 1.00 0.00 N ATOM 41 CA LYS A 3 -4.613 1.048 -3.600 1.00 0.00 C ATOM 42 C LYS A 3 -3.443 0.857 -2.649 1.00 0.00 C ATOM 43 O LYS A 3 -3.301 1.592 -1.677 1.00 0.00 O ATOM 44 CB LYS A 3 -4.527 2.427 -4.257 1.00 0.00 C ATOM 45 CG LYS A 3 -5.183 2.493 -5.625 1.00 0.00 C ATOM 46 CD LYS A 3 -6.687 2.681 -5.507 1.00 0.00 C ATOM 47 CE LYS A 3 -7.206 3.689 -6.520 1.00 0.00 C ATOM 48 NZ LYS A 3 -8.693 3.684 -6.596 1.00 0.00 N ATOM 0 H LYS A 3 -5.958 1.509 -2.066 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.566 0.278 -4.370 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.997 3.161 -3.603 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.479 2.710 -4.352 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.755 3.316 -6.197 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.971 1.577 -6.177 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.187 1.724 -5.656 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.935 3.016 -4.500 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.860 4.687 -6.250 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.791 3.463 -7.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -8.991 3.408 -7.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -9.074 3.006 -5.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -9.055 4.635 -6.382 1.00 0.00 H new ATOM 62 N VAL A 4 -2.606 -0.134 -2.925 1.00 0.00 N ATOM 63 CA VAL A 4 -1.455 -0.392 -2.069 1.00 0.00 C ATOM 64 C VAL A 4 -0.152 0.037 -2.729 1.00 0.00 C ATOM 65 O VAL A 4 0.132 -0.319 -3.872 1.00 0.00 O ATOM 66 CB VAL A 4 -1.350 -1.877 -1.661 1.00 0.00 C ATOM 67 CG1 VAL A 4 0.054 -2.207 -1.171 1.00 0.00 C ATOM 68 CG2 VAL A 4 -2.364 -2.199 -0.583 1.00 0.00 C ATOM 0 H VAL A 4 -2.699 -0.764 -3.722 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.614 0.205 -1.171 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.561 -2.486 -2.540 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.103 -3.259 -0.889 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.773 -2.010 -1.967 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.292 -1.588 -0.306 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.278 -3.250 -0.305 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.176 -1.576 0.291 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.369 -2.004 -0.958 1.00 0.00 H new ATOM 78 N TYR A 5 0.643 0.785 -1.975 1.00 0.00 N ATOM 79 CA TYR A 5 1.935 1.259 -2.445 1.00 0.00 C ATOM 80 C TYR A 5 3.044 0.473 -1.756 1.00 0.00 C ATOM 81 O TYR A 5 3.387 0.761 -0.612 1.00 0.00 O ATOM 82 CB TYR A 5 2.108 2.750 -2.136 1.00 0.00 C ATOM 83 CG TYR A 5 1.340 3.686 -3.045 1.00 0.00 C ATOM 84 CD1 TYR A 5 0.144 3.302 -3.640 1.00 0.00 C ATOM 85 CD2 TYR A 5 1.817 4.964 -3.303 1.00 0.00 C ATOM 86 CE1 TYR A 5 -0.552 4.167 -4.465 1.00 0.00 C ATOM 87 CE2 TYR A 5 1.127 5.834 -4.124 1.00 0.00 C ATOM 88 CZ TYR A 5 -0.056 5.431 -4.703 1.00 0.00 C ATOM 89 OH TYR A 5 -0.746 6.294 -5.524 1.00 0.00 O ATOM 0 H TYR A 5 0.411 1.078 -1.026 1.00 0.00 H new ATOM 0 HA TYR A 5 1.988 1.114 -3.524 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.797 2.931 -1.107 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.168 2.997 -2.197 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.248 2.313 -3.455 1.00 0.00 H new ATOM 0 HD2 TYR A 5 2.745 5.284 -2.853 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.480 3.854 -4.921 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.513 6.825 -4.311 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.705 6.101 -5.469 1.00 0.00 H new ATOM 99 N GLY A 6 3.594 -0.524 -2.436 1.00 0.00 N ATOM 100 CA GLY A 6 4.644 -1.317 -1.830 1.00 0.00 C ATOM 101 C GLY A 6 5.429 -2.129 -2.839 1.00 0.00 C ATOM 102 O GLY A 6 5.786 -1.633 -3.907 1.00 0.00 O ATOM 0 H GLY A 6 3.336 -0.795 -3.385 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.326 -0.658 -1.293 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.205 -1.990 -1.093 1.00 0.00 H new ATOM 106 N TYR A 7 5.710 -3.377 -2.485 1.00 0.00 N ATOM 107 CA TYR A 7 6.468 -4.267 -3.340 1.00 0.00 C ATOM 108 C TYR A 7 5.638 -5.485 -3.731 1.00 0.00 C ATOM 109 O TYR A 7 4.801 -5.952 -2.959 1.00 0.00 O ATOM 110 CB TYR A 7 7.727 -4.701 -2.610 1.00 0.00 C ATOM 111 CG TYR A 7 8.642 -3.548 -2.276 1.00 0.00 C ATOM 112 CD1 TYR A 7 9.411 -2.945 -3.260 1.00 0.00 C ATOM 113 CD2 TYR A 7 8.731 -3.059 -0.981 1.00 0.00 C ATOM 114 CE1 TYR A 7 10.245 -1.888 -2.963 1.00 0.00 C ATOM 115 CE2 TYR A 7 9.563 -2.002 -0.675 1.00 0.00 C ATOM 116 CZ TYR A 7 10.319 -1.419 -1.669 1.00 0.00 C ATOM 117 OH TYR A 7 11.152 -0.368 -1.368 1.00 0.00 O ATOM 0 H TYR A 7 5.418 -3.794 -1.601 1.00 0.00 H new ATOM 0 HA TYR A 7 6.736 -3.739 -4.255 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.448 -5.215 -1.690 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.268 -5.420 -3.225 1.00 0.00 H new ATOM 0 HD1 TYR A 7 9.356 -3.309 -4.275 1.00 0.00 H new ATOM 0 HD2 TYR A 7 8.139 -3.513 -0.200 1.00 0.00 H new ATOM 0 HE1 TYR A 7 10.838 -1.430 -3.741 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.622 -1.633 0.338 1.00 0.00 H new ATOM 0 HH TYR A 7 11.085 -0.161 -0.413 1.00 0.00 H new ATOM 127 N ASP A 8 5.870 -5.995 -4.936 1.00 0.00 N ATOM 128 CA ASP A 8 5.134 -7.156 -5.422 1.00 0.00 C ATOM 129 C ASP A 8 5.847 -8.461 -5.072 1.00 0.00 C ATOM 130 O ASP A 8 5.507 -9.520 -5.600 1.00 0.00 O ATOM 131 CB ASP A 8 4.935 -7.060 -6.936 1.00 0.00 C ATOM 132 CG ASP A 8 3.560 -7.527 -7.371 1.00 0.00 C ATOM 133 OD1 ASP A 8 2.816 -8.063 -6.522 1.00 0.00 O ATOM 134 OD2 ASP A 8 3.224 -7.357 -8.563 1.00 0.00 O ATOM 0 H ASP A 8 6.559 -5.625 -5.591 1.00 0.00 H new ATOM 0 HA ASP A 8 4.162 -7.162 -4.929 1.00 0.00 H new ATOM 0 HB2 ASP A 8 5.082 -6.028 -7.254 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.695 -7.659 -7.438 1.00 0.00 H new ATOM 139 N SER A 9 6.835 -8.384 -4.180 1.00 0.00 N ATOM 140 CA SER A 9 7.592 -9.564 -3.762 1.00 0.00 C ATOM 141 C SER A 9 8.525 -10.052 -4.872 1.00 0.00 C ATOM 142 O SER A 9 9.182 -11.085 -4.731 1.00 0.00 O ATOM 143 CB SER A 9 6.644 -10.689 -3.343 1.00 0.00 C ATOM 144 OG SER A 9 7.180 -11.429 -2.261 1.00 0.00 O ATOM 0 H SER A 9 7.130 -7.516 -3.733 1.00 0.00 H new ATOM 0 HA SER A 9 8.204 -9.277 -2.907 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.679 -10.269 -3.058 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.466 -11.353 -4.189 1.00 0.00 H new ATOM 0 HG SER A 9 6.555 -12.141 -2.010 1.00 0.00 H new ATOM 150 N ASN A 10 8.586 -9.301 -5.972 1.00 0.00 N ATOM 151 CA ASN A 10 9.443 -9.657 -7.099 1.00 0.00 C ATOM 152 C ASN A 10 10.861 -9.125 -6.899 1.00 0.00 C ATOM 153 O ASN A 10 11.828 -9.887 -6.898 1.00 0.00 O ATOM 154 CB ASN A 10 8.863 -9.101 -8.404 1.00 0.00 C ATOM 155 CG ASN A 10 7.979 -10.103 -9.121 1.00 0.00 C ATOM 156 OD1 ASN A 10 6.786 -9.871 -9.315 1.00 0.00 O ATOM 157 ND2 ASN A 10 8.565 -11.224 -9.524 1.00 0.00 N ATOM 0 H ASN A 10 8.051 -8.443 -6.105 1.00 0.00 H new ATOM 0 HA ASN A 10 9.485 -10.745 -7.157 1.00 0.00 H new ATOM 0 HB2 ASN A 10 8.286 -8.202 -8.187 1.00 0.00 H new ATOM 0 HB3 ASN A 10 9.679 -8.805 -9.063 1.00 0.00 H new ATOM 0 HD21 ASN A 10 8.023 -11.934 -10.016 1.00 0.00 H new ATOM 0 HD22 ASN A 10 9.557 -11.375 -9.342 1.00 0.00 H new ATOM 164 N ILE A 11 10.973 -7.809 -6.739 1.00 0.00 N ATOM 165 CA ILE A 11 12.271 -7.166 -6.550 1.00 0.00 C ATOM 166 C ILE A 11 12.625 -7.043 -5.072 1.00 0.00 C ATOM 167 O ILE A 11 13.801 -6.996 -4.709 1.00 0.00 O ATOM 168 CB ILE A 11 12.297 -5.758 -7.172 1.00 0.00 C ATOM 169 CG1 ILE A 11 11.745 -5.782 -8.596 1.00 0.00 C ATOM 170 CG2 ILE A 11 13.709 -5.199 -7.155 1.00 0.00 C ATOM 171 CD1 ILE A 11 11.571 -4.401 -9.196 1.00 0.00 C ATOM 0 H ILE A 11 10.181 -7.167 -6.736 1.00 0.00 H new ATOM 0 HA ILE A 11 13.003 -7.801 -7.049 1.00 0.00 H new ATOM 0 HB ILE A 11 11.659 -5.108 -6.574 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.416 -6.363 -9.228 1.00 0.00 H new ATOM 0 HG13 ILE A 11 10.783 -6.294 -8.597 1.00 0.00 H new ATOM 0 HG21 ILE A 11 13.711 -4.203 -7.598 1.00 0.00 H new ATOM 0 HG22 ILE A 11 14.064 -5.139 -6.126 1.00 0.00 H new ATOM 0 HG23 ILE A 11 14.366 -5.853 -7.729 1.00 0.00 H new ATOM 0 HD11 ILE A 11 11.176 -4.491 -10.208 1.00 0.00 H new ATOM 0 HD12 ILE A 11 10.877 -3.824 -8.585 1.00 0.00 H new ATOM 0 HD13 ILE A 11 12.535 -3.894 -9.227 1.00 0.00 H new ATOM 183 N HIS A 12 11.605 -6.980 -4.225 1.00 0.00 N ATOM 184 CA HIS A 12 11.814 -6.853 -2.793 1.00 0.00 C ATOM 185 C HIS A 12 10.830 -7.725 -2.027 1.00 0.00 C ATOM 186 O HIS A 12 9.690 -7.901 -2.444 1.00 0.00 O ATOM 187 CB HIS A 12 11.672 -5.397 -2.358 1.00 0.00 C ATOM 188 CG HIS A 12 12.243 -5.113 -1.006 1.00 0.00 C ATOM 189 ND1 HIS A 12 13.507 -5.486 -0.617 1.00 0.00 N ATOM 190 CD2 HIS A 12 11.696 -4.477 0.059 1.00 0.00 C ATOM 191 CE1 HIS A 12 13.685 -5.081 0.648 1.00 0.00 C ATOM 192 NE2 HIS A 12 12.614 -4.462 1.104 1.00 0.00 N ATOM 0 H HIS A 12 10.626 -7.015 -4.508 1.00 0.00 H new ATOM 0 HA HIS A 12 12.826 -7.189 -2.567 1.00 0.00 H new ATOM 0 HB2 HIS A 12 12.164 -4.759 -3.092 1.00 0.00 H new ATOM 0 HB3 HIS A 12 10.616 -5.128 -2.360 1.00 0.00 H new ATOM 0 HD2 HIS A 12 10.705 -4.050 0.091 1.00 0.00 H new ATOM 0 HE1 HIS A 12 14.588 -5.241 1.219 1.00 0.00 H new ATOM 0 HE2 HIS A 12 12.485 -4.056 2.031 1.00 0.00 H new ATOM 200 N LYS A 13 11.289 -8.269 -0.909 1.00 0.00 N ATOM 201 CA LYS A 13 10.462 -9.137 -0.078 1.00 0.00 C ATOM 202 C LYS A 13 9.327 -8.360 0.591 1.00 0.00 C ATOM 203 O LYS A 13 9.403 -7.142 0.749 1.00 0.00 O ATOM 204 CB LYS A 13 11.327 -9.835 0.978 1.00 0.00 C ATOM 205 CG LYS A 13 11.723 -8.942 2.149 1.00 0.00 C ATOM 206 CD LYS A 13 11.206 -9.492 3.471 1.00 0.00 C ATOM 207 CE LYS A 13 12.282 -9.477 4.545 1.00 0.00 C ATOM 208 NZ LYS A 13 12.918 -8.138 4.673 1.00 0.00 N ATOM 0 H LYS A 13 12.234 -8.125 -0.554 1.00 0.00 H new ATOM 0 HA LYS A 13 10.010 -9.889 -0.724 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.786 -10.700 1.362 1.00 0.00 H new ATOM 0 HB3 LYS A 13 12.231 -10.211 0.500 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.809 -8.854 2.190 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.328 -7.938 1.992 1.00 0.00 H new ATOM 0 HD2 LYS A 13 10.353 -8.900 3.802 1.00 0.00 H new ATOM 0 HD3 LYS A 13 10.850 -10.512 3.327 1.00 0.00 H new ATOM 0 HE2 LYS A 13 11.845 -9.764 5.501 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.044 -10.220 4.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 13.293 -8.023 5.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.695 -8.056 3.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 12.211 -7.399 4.486 1.00 0.00 H new ATOM 222 N CYS A 14 8.275 -9.078 0.986 1.00 0.00 N ATOM 223 CA CYS A 14 7.125 -8.460 1.645 1.00 0.00 C ATOM 224 C CYS A 14 6.111 -9.514 2.085 1.00 0.00 C ATOM 225 O CYS A 14 5.268 -9.946 1.298 1.00 0.00 O ATOM 226 CB CYS A 14 6.448 -7.446 0.718 1.00 0.00 C ATOM 227 SG CYS A 14 5.279 -6.335 1.574 1.00 0.00 S ATOM 0 H CYS A 14 8.196 -10.087 0.861 1.00 0.00 H new ATOM 0 HA CYS A 14 7.493 -7.941 2.530 1.00 0.00 H new ATOM 0 HB2 CYS A 14 7.215 -6.845 0.229 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.916 -7.983 -0.067 1.00 0.00 H new ATOM 232 N VAL A 15 6.196 -9.921 3.348 1.00 0.00 N ATOM 233 CA VAL A 15 5.287 -10.921 3.898 1.00 0.00 C ATOM 234 C VAL A 15 3.955 -10.291 4.293 1.00 0.00 C ATOM 235 O VAL A 15 2.903 -10.930 4.209 1.00 0.00 O ATOM 236 CB VAL A 15 5.900 -11.613 5.130 1.00 0.00 C ATOM 237 CG1 VAL A 15 7.156 -12.373 4.740 1.00 0.00 C ATOM 238 CG2 VAL A 15 6.203 -10.596 6.219 1.00 0.00 C ATOM 0 H VAL A 15 6.888 -9.572 4.012 1.00 0.00 H new ATOM 0 HA VAL A 15 5.118 -11.663 3.118 1.00 0.00 H new ATOM 0 HB VAL A 15 5.175 -12.326 5.523 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.577 -12.856 5.621 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.907 -13.129 3.995 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.886 -11.679 4.323 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.635 -11.104 7.081 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.910 -9.858 5.841 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.281 -10.096 6.517 1.00 0.00 H new ATOM 248 N TYR A 16 4.003 -9.032 4.720 1.00 0.00 N ATOM 249 CA TYR A 16 2.798 -8.313 5.122 1.00 0.00 C ATOM 250 C TYR A 16 1.930 -8.000 3.908 1.00 0.00 C ATOM 251 O TYR A 16 0.721 -7.797 4.031 1.00 0.00 O ATOM 252 CB TYR A 16 3.165 -7.018 5.853 1.00 0.00 C ATOM 253 CG TYR A 16 3.240 -7.171 7.356 1.00 0.00 C ATOM 254 CD1 TYR A 16 2.092 -7.116 8.137 1.00 0.00 C ATOM 255 CD2 TYR A 16 4.457 -7.375 7.994 1.00 0.00 C ATOM 256 CE1 TYR A 16 2.154 -7.259 9.510 1.00 0.00 C ATOM 257 CE2 TYR A 16 4.528 -7.519 9.367 1.00 0.00 C ATOM 258 CZ TYR A 16 3.375 -7.460 10.120 1.00 0.00 C ATOM 259 OH TYR A 16 3.441 -7.603 11.488 1.00 0.00 O ATOM 0 H TYR A 16 4.863 -8.489 4.796 1.00 0.00 H new ATOM 0 HA TYR A 16 2.232 -8.951 5.801 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.127 -6.663 5.484 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.428 -6.252 5.610 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.135 -6.959 7.663 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.363 -7.422 7.408 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.252 -7.214 10.102 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.482 -7.677 9.847 1.00 0.00 H new ATOM 0 HH TYR A 16 4.373 -7.738 11.758 1.00 0.00 H new ATOM 269 N CYS A 17 2.554 -7.964 2.734 1.00 0.00 N ATOM 270 CA CYS A 17 1.837 -7.684 1.498 1.00 0.00 C ATOM 271 C CYS A 17 0.795 -8.766 1.235 1.00 0.00 C ATOM 272 O CYS A 17 -0.383 -8.475 1.029 1.00 0.00 O ATOM 273 CB CYS A 17 2.816 -7.608 0.320 1.00 0.00 C ATOM 274 SG CYS A 17 3.775 -6.059 0.236 1.00 0.00 S ATOM 0 H CYS A 17 3.554 -8.125 2.615 1.00 0.00 H new ATOM 0 HA CYS A 17 1.333 -6.723 1.601 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.509 -8.447 0.385 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.258 -7.726 -0.609 1.00 0.00 H new ATOM 279 N ASP A 18 1.242 -10.018 1.255 1.00 0.00 N ATOM 280 CA ASP A 18 0.361 -11.157 1.023 1.00 0.00 C ATOM 281 C ASP A 18 -0.814 -11.157 1.998 1.00 0.00 C ATOM 282 O ASP A 18 -1.885 -11.686 1.695 1.00 0.00 O ATOM 283 CB ASP A 18 1.151 -12.462 1.160 1.00 0.00 C ATOM 284 CG ASP A 18 1.536 -13.051 -0.183 1.00 0.00 C ATOM 285 OD1 ASP A 18 0.688 -13.732 -0.798 1.00 0.00 O ATOM 286 OD2 ASP A 18 2.684 -12.830 -0.620 1.00 0.00 O ATOM 0 H ASP A 18 2.215 -10.270 1.431 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.038 -11.076 0.012 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.053 -12.278 1.744 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.555 -13.187 1.714 1.00 0.00 H new ATOM 291 N ASN A 19 -0.608 -10.567 3.173 1.00 0.00 N ATOM 292 CA ASN A 19 -1.652 -10.507 4.192 1.00 0.00 C ATOM 293 C ASN A 19 -2.765 -9.543 3.788 1.00 0.00 C ATOM 294 O ASN A 19 -3.945 -9.887 3.845 1.00 0.00 O ATOM 295 CB ASN A 19 -1.060 -10.085 5.539 1.00 0.00 C ATOM 296 CG ASN A 19 -0.476 -11.254 6.306 1.00 0.00 C ATOM 297 OD1 ASN A 19 -1.135 -11.841 7.164 1.00 0.00 O ATOM 298 ND2 ASN A 19 0.769 -11.599 6.001 1.00 0.00 N ATOM 0 H ASN A 19 0.271 -10.125 3.442 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.081 -11.504 4.287 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.283 -9.338 5.373 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.835 -9.610 6.141 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.215 -12.378 6.485 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.279 -11.085 5.283 1.00 0.00 H new ATOM 305 N ALA A 20 -2.383 -8.335 3.384 1.00 0.00 N ATOM 306 CA ALA A 20 -3.352 -7.323 2.975 1.00 0.00 C ATOM 307 C ALA A 20 -4.280 -7.856 1.891 1.00 0.00 C ATOM 308 O ALA A 20 -5.499 -7.703 1.972 1.00 0.00 O ATOM 309 CB ALA A 20 -2.633 -6.073 2.489 1.00 0.00 C ATOM 0 H ALA A 20 -1.410 -8.033 3.331 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.961 -7.067 3.842 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.367 -5.326 2.187 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.017 -5.672 3.293 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.000 -6.325 1.638 1.00 0.00 H new ATOM 315 N LYS A 21 -3.696 -8.489 0.881 1.00 0.00 N ATOM 316 CA LYS A 21 -4.471 -9.047 -0.223 1.00 0.00 C ATOM 317 C LYS A 21 -5.467 -10.085 0.287 1.00 0.00 C ATOM 318 O LYS A 21 -6.662 -10.004 0.004 1.00 0.00 O ATOM 319 CB LYS A 21 -3.534 -9.679 -1.258 1.00 0.00 C ATOM 320 CG LYS A 21 -4.260 -10.399 -2.388 1.00 0.00 C ATOM 321 CD LYS A 21 -4.028 -9.719 -3.728 1.00 0.00 C ATOM 322 CE LYS A 21 -2.605 -9.922 -4.222 1.00 0.00 C ATOM 323 NZ LYS A 21 -2.348 -9.182 -5.488 1.00 0.00 N ATOM 0 H LYS A 21 -2.689 -8.629 0.802 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.029 -8.238 -0.696 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.901 -8.901 -1.684 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.875 -10.386 -0.754 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.918 -11.433 -2.440 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.328 -10.427 -2.174 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.729 -10.115 -4.463 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.232 -8.652 -3.635 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.904 -9.588 -3.457 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.423 -10.985 -4.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.367 -9.346 -5.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.000 -9.518 -6.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.497 -8.165 -5.332 1.00 0.00 H new ATOM 337 N ARG A 22 -4.966 -11.059 1.042 1.00 0.00 N ATOM 338 CA ARG A 22 -5.814 -12.114 1.592 1.00 0.00 C ATOM 339 C ARG A 22 -6.931 -11.521 2.443 1.00 0.00 C ATOM 340 O ARG A 22 -8.077 -11.964 2.380 1.00 0.00 O ATOM 341 CB ARG A 22 -4.981 -13.088 2.428 1.00 0.00 C ATOM 342 CG ARG A 22 -5.639 -14.445 2.615 1.00 0.00 C ATOM 343 CD ARG A 22 -6.376 -14.530 3.943 1.00 0.00 C ATOM 344 NE ARG A 22 -5.590 -15.222 4.962 1.00 0.00 N ATOM 345 CZ ARG A 22 -6.098 -15.691 6.099 1.00 0.00 C ATOM 346 NH1 ARG A 22 -7.390 -15.547 6.366 1.00 0.00 N ATOM 347 NH2 ARG A 22 -5.313 -16.308 6.971 1.00 0.00 N ATOM 0 H ARG A 22 -3.979 -11.140 1.287 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.262 -12.657 0.760 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.011 -13.226 1.950 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.794 -12.646 3.407 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.337 -14.627 1.798 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.881 -15.227 2.568 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.615 -13.525 4.290 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.323 -15.051 3.800 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.593 -15.353 4.792 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.999 -15.075 5.698 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.774 -15.909 7.239 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.320 -16.423 6.770 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.702 -16.667 7.843 1.00 0.00 H new ATOM 361 N LEU A 23 -6.588 -10.509 3.233 1.00 0.00 N ATOM 362 CA LEU A 23 -7.558 -9.843 4.094 1.00 0.00 C ATOM 363 C LEU A 23 -8.701 -9.273 3.264 1.00 0.00 C ATOM 364 O LEU A 23 -9.872 -9.559 3.516 1.00 0.00 O ATOM 365 CB LEU A 23 -6.870 -8.727 4.888 1.00 0.00 C ATOM 366 CG LEU A 23 -7.807 -7.746 5.600 1.00 0.00 C ATOM 367 CD1 LEU A 23 -7.091 -7.080 6.764 1.00 0.00 C ATOM 368 CD2 LEU A 23 -8.324 -6.697 4.625 1.00 0.00 C ATOM 0 H LEU A 23 -5.642 -10.131 3.295 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.969 -10.573 4.792 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.218 -9.184 5.633 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.231 -8.163 4.208 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.659 -8.304 5.989 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.770 -6.386 7.260 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.767 -7.840 7.475 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.222 -6.536 6.393 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.988 -6.009 5.149 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.483 -6.143 4.207 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.871 -7.187 3.820 1.00 0.00 H new ATOM 380 N LEU A 24 -8.350 -8.465 2.269 1.00 0.00 N ATOM 381 CA LEU A 24 -9.342 -7.850 1.394 1.00 0.00 C ATOM 382 C LEU A 24 -10.203 -8.913 0.722 1.00 0.00 C ATOM 383 O LEU A 24 -11.429 -8.804 0.691 1.00 0.00 O ATOM 384 CB LEU A 24 -8.651 -6.987 0.339 1.00 0.00 C ATOM 385 CG LEU A 24 -8.041 -5.691 0.872 1.00 0.00 C ATOM 386 CD1 LEU A 24 -6.759 -5.356 0.131 1.00 0.00 C ATOM 387 CD2 LEU A 24 -9.037 -4.549 0.755 1.00 0.00 C ATOM 0 H LEU A 24 -7.385 -8.220 2.048 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.990 -7.217 2.001 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.864 -7.575 -0.133 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.374 -6.739 -0.438 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.799 -5.834 1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.342 -4.430 0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.040 -6.164 0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.974 -5.233 -0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.587 -3.633 1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.309 -4.409 -0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.930 -4.785 1.333 1.00 0.00 H new ATOM 399 N THR A 25 -9.556 -9.948 0.194 1.00 0.00 N ATOM 400 CA THR A 25 -10.269 -11.035 -0.465 1.00 0.00 C ATOM 401 C THR A 25 -11.270 -11.667 0.495 1.00 0.00 C ATOM 402 O THR A 25 -12.373 -12.049 0.103 1.00 0.00 O ATOM 403 CB THR A 25 -9.284 -12.093 -0.964 1.00 0.00 C ATOM 404 OG1 THR A 25 -8.095 -11.488 -1.442 1.00 0.00 O ATOM 405 CG2 THR A 25 -9.842 -12.952 -2.079 1.00 0.00 C ATOM 0 H THR A 25 -8.542 -10.056 0.210 1.00 0.00 H new ATOM 0 HA THR A 25 -10.808 -10.627 -1.320 1.00 0.00 H new ATOM 0 HB THR A 25 -9.084 -12.729 -0.102 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.504 -11.286 -0.687 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.093 -13.681 -2.386 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.732 -13.473 -1.726 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.104 -12.321 -2.928 1.00 0.00 H new ATOM 413 N VAL A 26 -10.877 -11.759 1.761 1.00 0.00 N ATOM 414 CA VAL A 26 -11.730 -12.330 2.796 1.00 0.00 C ATOM 415 C VAL A 26 -12.792 -11.326 3.234 1.00 0.00 C ATOM 416 O VAL A 26 -13.888 -11.705 3.645 1.00 0.00 O ATOM 417 CB VAL A 26 -10.902 -12.760 4.024 1.00 0.00 C ATOM 418 CG1 VAL A 26 -11.793 -13.388 5.084 1.00 0.00 C ATOM 419 CG2 VAL A 26 -9.797 -13.720 3.609 1.00 0.00 C ATOM 0 H VAL A 26 -9.967 -11.443 2.096 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.215 -13.208 2.371 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.441 -11.871 4.456 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.187 -13.683 5.940 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.544 -12.665 5.403 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.288 -14.266 4.670 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.222 -14.014 4.487 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.237 -14.605 3.150 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.139 -13.229 2.892 1.00 0.00 H new ATOM 429 N LYS A 27 -12.457 -10.043 3.141 1.00 0.00 N ATOM 430 CA LYS A 27 -13.378 -8.979 3.523 1.00 0.00 C ATOM 431 C LYS A 27 -14.402 -8.714 2.420 1.00 0.00 C ATOM 432 O LYS A 27 -15.434 -8.087 2.660 1.00 0.00 O ATOM 433 CB LYS A 27 -12.602 -7.697 3.838 1.00 0.00 C ATOM 434 CG LYS A 27 -12.781 -7.207 5.266 1.00 0.00 C ATOM 435 CD LYS A 27 -13.980 -6.281 5.392 1.00 0.00 C ATOM 436 CE LYS A 27 -14.712 -6.493 6.707 1.00 0.00 C ATOM 437 NZ LYS A 27 -15.077 -7.921 6.915 1.00 0.00 N ATOM 0 H LYS A 27 -11.552 -9.715 2.803 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.915 -9.301 4.415 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.542 -7.870 3.653 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.921 -6.912 3.152 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.908 -8.061 5.931 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.881 -6.684 5.588 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.650 -5.245 5.321 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.664 -6.455 4.561 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -14.083 -6.155 7.531 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -15.614 -5.882 6.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -15.966 -7.977 7.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -15.200 -8.386 5.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -14.321 -8.399 7.445 1.00 0.00 H new ATOM 451 N LYS A 28 -14.112 -9.194 1.211 1.00 0.00 N ATOM 452 CA LYS A 28 -15.009 -9.005 0.072 1.00 0.00 C ATOM 453 C LYS A 28 -14.960 -7.564 -0.426 1.00 0.00 C ATOM 454 O LYS A 28 -15.985 -6.884 -0.499 1.00 0.00 O ATOM 455 CB LYS A 28 -16.445 -9.382 0.449 1.00 0.00 C ATOM 456 CG LYS A 28 -17.314 -9.743 -0.745 1.00 0.00 C ATOM 457 CD LYS A 28 -18.307 -10.841 -0.399 1.00 0.00 C ATOM 458 CE LYS A 28 -17.694 -12.221 -0.574 1.00 0.00 C ATOM 459 NZ LYS A 28 -18.230 -13.196 0.415 1.00 0.00 N ATOM 0 H LYS A 28 -13.263 -9.717 0.995 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.673 -9.660 -0.732 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.421 -10.226 1.138 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.903 -8.548 0.982 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -17.852 -8.858 -1.086 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -16.682 -10.069 -1.571 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -18.642 -10.719 0.631 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -19.188 -10.750 -1.034 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.893 -12.581 -1.583 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.611 -12.154 -0.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.787 -14.124 0.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -18.018 -12.866 1.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -19.260 -13.280 0.297 1.00 0.00 H new ATOM 473 N GLN A 29 -13.762 -7.103 -0.769 1.00 0.00 N ATOM 474 CA GLN A 29 -13.581 -5.742 -1.256 1.00 0.00 C ATOM 475 C GLN A 29 -12.634 -5.706 -2.453 1.00 0.00 C ATOM 476 O GLN A 29 -11.640 -6.430 -2.488 1.00 0.00 O ATOM 477 CB GLN A 29 -13.035 -4.852 -0.138 1.00 0.00 C ATOM 478 CG GLN A 29 -14.120 -4.194 0.698 1.00 0.00 C ATOM 479 CD GLN A 29 -14.839 -3.086 -0.048 1.00 0.00 C ATOM 480 OE1 GLN A 29 -14.294 -2.001 -0.248 1.00 0.00 O ATOM 481 NE2 GLN A 29 -16.072 -3.354 -0.460 1.00 0.00 N ATOM 0 H GLN A 29 -12.904 -7.652 -0.719 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.553 -5.367 -1.576 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.398 -5.450 0.514 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.405 -4.078 -0.576 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.844 -4.948 1.006 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -13.677 -3.787 1.607 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.485 -4.268 -0.272 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.606 -2.646 -0.964 1.00 0.00 H new ATOM 490 N PRO A 30 -12.925 -4.850 -3.449 1.00 0.00 N ATOM 491 CA PRO A 30 -12.088 -4.715 -4.642 1.00 0.00 C ATOM 492 C PRO A 30 -10.875 -3.834 -4.380 1.00 0.00 C ATOM 493 O PRO A 30 -10.990 -2.789 -3.742 1.00 0.00 O ATOM 494 CB PRO A 30 -13.027 -4.037 -5.633 1.00 0.00 C ATOM 495 CG PRO A 30 -13.875 -3.165 -4.774 1.00 0.00 C ATOM 496 CD PRO A 30 -14.085 -3.934 -3.493 1.00 0.00 C ATOM 0 HA PRO A 30 -11.688 -5.668 -4.987 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -12.477 -3.457 -6.374 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.626 -4.765 -6.180 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.386 -2.210 -4.582 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.826 -2.944 -5.258 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -14.108 -3.273 -2.627 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.028 -4.480 -3.502 1.00 0.00 H new ATOM 504 N PHE A 31 -9.718 -4.248 -4.873 1.00 0.00 N ATOM 505 CA PHE A 31 -8.501 -3.475 -4.674 1.00 0.00 C ATOM 506 C PHE A 31 -7.441 -3.810 -5.718 1.00 0.00 C ATOM 507 O PHE A 31 -7.585 -4.766 -6.479 1.00 0.00 O ATOM 508 CB PHE A 31 -7.949 -3.714 -3.286 1.00 0.00 C ATOM 509 CG PHE A 31 -7.404 -5.091 -3.124 1.00 0.00 C ATOM 510 CD1 PHE A 31 -8.257 -6.149 -2.896 1.00 0.00 C ATOM 511 CD2 PHE A 31 -6.051 -5.328 -3.234 1.00 0.00 C ATOM 512 CE1 PHE A 31 -7.771 -7.430 -2.773 1.00 0.00 C ATOM 513 CE2 PHE A 31 -5.552 -6.607 -3.116 1.00 0.00 C ATOM 514 CZ PHE A 31 -6.413 -7.665 -2.884 1.00 0.00 C ATOM 0 H PHE A 31 -9.596 -5.107 -5.409 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.760 -2.422 -4.785 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.163 -2.988 -3.080 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.736 -3.548 -2.551 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.319 -5.970 -2.813 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -5.376 -4.504 -3.414 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.449 -8.251 -2.590 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.490 -6.783 -3.204 1.00 0.00 H new ATOM 0 HZ PHE A 31 -6.026 -8.669 -2.790 1.00 0.00 H new ATOM 524 N GLU A 32 -6.367 -3.022 -5.742 1.00 0.00 N ATOM 525 CA GLU A 32 -5.282 -3.249 -6.690 1.00 0.00 C ATOM 526 C GLU A 32 -3.939 -2.854 -6.093 1.00 0.00 C ATOM 527 O GLU A 32 -3.845 -1.905 -5.314 1.00 0.00 O ATOM 528 CB GLU A 32 -5.523 -2.470 -7.982 1.00 0.00 C ATOM 529 CG GLU A 32 -6.345 -3.236 -9.008 1.00 0.00 C ATOM 530 CD GLU A 32 -5.568 -4.369 -9.650 1.00 0.00 C ATOM 531 OE1 GLU A 32 -4.710 -4.963 -8.965 1.00 0.00 O ATOM 532 OE2 GLU A 32 -5.819 -4.661 -10.838 1.00 0.00 O ATOM 0 H GLU A 32 -6.227 -2.226 -5.119 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.260 -4.315 -6.917 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.032 -1.536 -7.744 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.562 -2.206 -8.422 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.236 -3.639 -8.527 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.684 -2.548 -9.783 1.00 0.00 H new ATOM 539 N PHE A 33 -2.901 -3.594 -6.466 1.00 0.00 N ATOM 540 CA PHE A 33 -1.559 -3.336 -5.977 1.00 0.00 C ATOM 541 C PHE A 33 -0.823 -2.352 -6.881 1.00 0.00 C ATOM 542 O PHE A 33 -1.226 -2.118 -8.020 1.00 0.00 O ATOM 543 CB PHE A 33 -0.782 -4.647 -5.901 1.00 0.00 C ATOM 544 CG PHE A 33 0.346 -4.606 -4.922 1.00 0.00 C ATOM 545 CD1 PHE A 33 0.091 -4.607 -3.565 1.00 0.00 C ATOM 546 CD2 PHE A 33 1.657 -4.562 -5.359 1.00 0.00 C ATOM 547 CE1 PHE A 33 1.127 -4.563 -2.654 1.00 0.00 C ATOM 548 CE2 PHE A 33 2.699 -4.518 -4.455 1.00 0.00 C ATOM 549 CZ PHE A 33 2.433 -4.517 -3.099 1.00 0.00 C ATOM 0 H PHE A 33 -2.968 -4.382 -7.110 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.635 -2.893 -4.984 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.465 -5.451 -5.626 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.389 -4.887 -6.889 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.929 -4.643 -3.213 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.868 -4.562 -6.418 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.916 -4.565 -1.595 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.720 -4.484 -4.807 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.246 -4.480 -2.388 1.00 0.00 H new ATOM 559 N ILE A 34 0.264 -1.786 -6.365 1.00 0.00 N ATOM 560 CA ILE A 34 1.072 -0.837 -7.120 1.00 0.00 C ATOM 561 C ILE A 34 2.534 -0.939 -6.713 1.00 0.00 C ATOM 562 O ILE A 34 2.885 -0.761 -5.548 1.00 0.00 O ATOM 563 CB ILE A 34 0.600 0.614 -6.928 1.00 0.00 C ATOM 564 CG1 ILE A 34 -0.924 0.685 -6.977 1.00 0.00 C ATOM 565 CG2 ILE A 34 1.213 1.513 -7.991 1.00 0.00 C ATOM 566 CD1 ILE A 34 -1.480 2.035 -6.585 1.00 0.00 C ATOM 0 H ILE A 34 0.606 -1.970 -5.422 1.00 0.00 H new ATOM 0 HA ILE A 34 0.957 -1.097 -8.172 1.00 0.00 H new ATOM 0 HB ILE A 34 0.930 0.964 -5.950 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.258 0.443 -7.986 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.336 -0.075 -6.313 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.870 2.537 -7.843 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.300 1.479 -7.914 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.909 1.168 -8.979 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.568 2.011 -6.643 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.176 2.271 -5.565 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.097 2.797 -7.264 1.00 0.00 H new ATOM 578 N ASN A 35 3.375 -1.234 -7.688 1.00 0.00 N ATOM 579 CA ASN A 35 4.806 -1.375 -7.454 1.00 0.00 C ATOM 580 C ASN A 35 5.499 -0.017 -7.431 1.00 0.00 C ATOM 581 O ASN A 35 5.353 0.783 -8.355 1.00 0.00 O ATOM 582 CB ASN A 35 5.437 -2.259 -8.533 1.00 0.00 C ATOM 583 CG ASN A 35 5.270 -1.679 -9.924 1.00 0.00 C ATOM 584 OD1 ASN A 35 4.272 -1.022 -10.219 1.00 0.00 O ATOM 585 ND2 ASN A 35 6.248 -1.922 -10.787 1.00 0.00 N ATOM 0 H ASN A 35 3.092 -1.382 -8.657 1.00 0.00 H new ATOM 0 HA ASN A 35 4.938 -1.845 -6.479 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.498 -2.386 -8.320 1.00 0.00 H new ATOM 0 HB3 ASN A 35 4.984 -3.250 -8.498 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.190 -1.559 -11.738 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.057 -2.472 -10.499 1.00 0.00 H new ATOM 592 N ILE A 36 6.257 0.232 -6.369 1.00 0.00 N ATOM 593 CA ILE A 36 6.982 1.487 -6.222 1.00 0.00 C ATOM 594 C ILE A 36 8.424 1.352 -6.709 1.00 0.00 C ATOM 595 O ILE A 36 9.104 2.351 -6.945 1.00 0.00 O ATOM 596 CB ILE A 36 6.990 1.966 -4.758 1.00 0.00 C ATOM 597 CG1 ILE A 36 7.641 0.918 -3.854 1.00 0.00 C ATOM 598 CG2 ILE A 36 5.574 2.269 -4.291 1.00 0.00 C ATOM 599 CD1 ILE A 36 8.593 1.509 -2.838 1.00 0.00 C ATOM 0 H ILE A 36 6.385 -0.421 -5.596 1.00 0.00 H new ATOM 0 HA ILE A 36 6.462 2.224 -6.834 1.00 0.00 H new ATOM 0 HB ILE A 36 7.577 2.883 -4.698 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.861 0.365 -3.331 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.181 0.200 -4.472 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.597 2.606 -3.255 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.144 3.050 -4.917 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.966 1.368 -4.366 1.00 0.00 H new ATOM 0 HD11 ILE A 36 9.019 0.710 -2.231 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.394 2.038 -3.355 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.054 2.205 -2.196 1.00 0.00 H new ATOM 611 N MET A 37 8.886 0.111 -6.856 1.00 0.00 N ATOM 612 CA MET A 37 10.244 -0.146 -7.316 1.00 0.00 C ATOM 613 C MET A 37 10.237 -0.932 -8.624 1.00 0.00 C ATOM 614 O MET A 37 10.008 -2.141 -8.629 1.00 0.00 O ATOM 615 CB MET A 37 11.040 -0.907 -6.253 1.00 0.00 C ATOM 616 CG MET A 37 12.493 -1.147 -6.635 1.00 0.00 C ATOM 617 SD MET A 37 13.296 -2.376 -5.583 1.00 0.00 S ATOM 618 CE MET A 37 13.327 -1.522 -4.008 1.00 0.00 C ATOM 0 H MET A 37 8.339 -0.728 -6.663 1.00 0.00 H new ATOM 0 HA MET A 37 10.724 0.817 -7.492 1.00 0.00 H new ATOM 0 HB2 MET A 37 11.007 -0.349 -5.317 1.00 0.00 H new ATOM 0 HB3 MET A 37 10.558 -1.867 -6.069 1.00 0.00 H new ATOM 0 HG2 MET A 37 12.542 -1.476 -7.673 1.00 0.00 H new ATOM 0 HG3 MET A 37 13.041 -0.207 -6.572 1.00 0.00 H new ATOM 0 HE1 MET A 37 13.115 -2.229 -3.206 1.00 0.00 H new ATOM 0 HE2 MET A 37 14.312 -1.081 -3.852 1.00 0.00 H new ATOM 0 HE3 MET A 37 12.573 -0.735 -4.006 1.00 0.00 H new ATOM 628 N PRO A 38 10.488 -0.252 -9.755 1.00 0.00 N ATOM 629 CA PRO A 38 10.512 -0.892 -11.073 1.00 0.00 C ATOM 630 C PRO A 38 11.791 -1.690 -11.298 1.00 0.00 C ATOM 631 O PRO A 38 11.814 -2.642 -12.079 1.00 0.00 O ATOM 632 CB PRO A 38 10.448 0.295 -12.032 1.00 0.00 C ATOM 633 CG PRO A 38 11.113 1.402 -11.292 1.00 0.00 C ATOM 634 CD PRO A 38 10.771 1.195 -9.841 1.00 0.00 C ATOM 0 HA PRO A 38 9.701 -1.609 -11.202 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.962 0.078 -12.969 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.418 0.547 -12.284 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.192 1.381 -11.445 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.760 2.372 -11.642 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.597 1.482 -9.189 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.908 1.791 -9.543 1.00 0.00 H new ATOM 642 N GLU A 39 12.854 -1.293 -10.607 1.00 0.00 N ATOM 643 CA GLU A 39 14.140 -1.964 -10.727 1.00 0.00 C ATOM 644 C GLU A 39 14.815 -2.085 -9.367 1.00 0.00 C ATOM 645 O GLU A 39 14.614 -1.250 -8.486 1.00 0.00 O ATOM 646 CB GLU A 39 15.046 -1.202 -11.694 1.00 0.00 C ATOM 647 CG GLU A 39 14.585 -1.269 -13.140 1.00 0.00 C ATOM 648 CD GLU A 39 15.372 -0.341 -14.043 1.00 0.00 C ATOM 649 OE1 GLU A 39 16.618 -0.431 -14.048 1.00 0.00 O ATOM 650 OE2 GLU A 39 14.742 0.479 -14.745 1.00 0.00 O ATOM 0 H GLU A 39 12.849 -0.507 -9.957 1.00 0.00 H new ATOM 0 HA GLU A 39 13.966 -2.967 -11.118 1.00 0.00 H new ATOM 0 HB2 GLU A 39 15.096 -0.158 -11.385 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.057 -1.604 -11.625 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.683 -2.292 -13.502 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.527 -1.012 -13.193 1.00 0.00 H new ATOM 657 N LYS A 40 15.628 -3.126 -9.205 1.00 0.00 N ATOM 658 CA LYS A 40 16.338 -3.352 -7.950 1.00 0.00 C ATOM 659 C LYS A 40 17.364 -2.263 -7.682 1.00 0.00 C ATOM 660 O LYS A 40 17.948 -2.188 -6.602 1.00 0.00 O ATOM 661 CB LYS A 40 17.009 -4.727 -7.952 1.00 0.00 C ATOM 662 CG LYS A 40 18.106 -4.866 -8.996 1.00 0.00 C ATOM 663 CD LYS A 40 17.672 -5.759 -10.147 1.00 0.00 C ATOM 664 CE LYS A 40 18.694 -5.759 -11.271 1.00 0.00 C ATOM 665 NZ LYS A 40 19.921 -6.523 -10.909 1.00 0.00 N ATOM 0 H LYS A 40 15.811 -3.825 -9.925 1.00 0.00 H new ATOM 0 HA LYS A 40 15.602 -3.320 -7.146 1.00 0.00 H new ATOM 0 HB2 LYS A 40 17.431 -4.918 -6.965 1.00 0.00 H new ATOM 0 HB3 LYS A 40 16.252 -5.491 -8.128 1.00 0.00 H new ATOM 0 HG2 LYS A 40 18.372 -3.881 -9.379 1.00 0.00 H new ATOM 0 HG3 LYS A 40 19.001 -5.279 -8.531 1.00 0.00 H new ATOM 0 HD2 LYS A 40 17.529 -6.777 -9.785 1.00 0.00 H new ATOM 0 HD3 LYS A 40 16.710 -5.419 -10.529 1.00 0.00 H new ATOM 0 HE2 LYS A 40 18.248 -6.192 -12.166 1.00 0.00 H new ATOM 0 HE3 LYS A 40 18.965 -4.732 -11.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 20.592 -6.498 -11.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 20.361 -6.095 -10.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 19.667 -7.510 -10.701 1.00 0.00 H new ATOM 679 N GLY A 41 17.562 -1.426 -8.674 1.00 0.00 N ATOM 680 CA GLY A 41 18.508 -0.333 -8.563 1.00 0.00 C ATOM 681 C GLY A 41 17.931 0.868 -7.840 1.00 0.00 C ATOM 682 O GLY A 41 18.472 1.309 -6.825 1.00 0.00 O ATOM 0 H GLY A 41 17.080 -1.479 -9.571 1.00 0.00 H new ATOM 0 HA2 GLY A 41 19.396 -0.679 -8.034 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.828 -0.032 -9.561 1.00 0.00 H new ATOM 686 N VAL A 42 16.828 1.401 -8.363 1.00 0.00 N ATOM 687 CA VAL A 42 16.188 2.563 -7.760 1.00 0.00 C ATOM 688 C VAL A 42 14.677 2.544 -7.974 1.00 0.00 C ATOM 689 O VAL A 42 14.201 2.204 -9.057 1.00 0.00 O ATOM 690 CB VAL A 42 16.756 3.872 -8.342 1.00 0.00 C ATOM 691 CG1 VAL A 42 16.232 5.075 -7.573 1.00 0.00 C ATOM 692 CG2 VAL A 42 18.277 3.845 -8.333 1.00 0.00 C ATOM 0 H VAL A 42 16.363 1.047 -9.199 1.00 0.00 H new ATOM 0 HA VAL A 42 16.397 2.518 -6.691 1.00 0.00 H new ATOM 0 HB VAL A 42 16.423 3.961 -9.376 1.00 0.00 H new ATOM 0 HG11 VAL A 42 16.646 5.988 -8.001 1.00 0.00 H new ATOM 0 HG12 VAL A 42 15.144 5.103 -7.639 1.00 0.00 H new ATOM 0 HG13 VAL A 42 16.530 4.996 -6.527 1.00 0.00 H new ATOM 0 HG21 VAL A 42 18.660 4.778 -8.748 1.00 0.00 H new ATOM 0 HG22 VAL A 42 18.633 3.730 -7.309 1.00 0.00 H new ATOM 0 HG23 VAL A 42 18.630 3.008 -8.936 1.00 0.00 H new ATOM 702 N PHE A 43 13.926 2.918 -6.940 1.00 0.00 N ATOM 703 CA PHE A 43 12.466 2.946 -7.033 1.00 0.00 C ATOM 704 C PHE A 43 12.016 3.905 -8.133 1.00 0.00 C ATOM 705 O PHE A 43 12.822 4.659 -8.679 1.00 0.00 O ATOM 706 CB PHE A 43 11.815 3.356 -5.700 1.00 0.00 C ATOM 707 CG PHE A 43 12.648 3.087 -4.476 1.00 0.00 C ATOM 708 CD1 PHE A 43 13.292 1.873 -4.305 1.00 0.00 C ATOM 709 CD2 PHE A 43 12.776 4.054 -3.492 1.00 0.00 C ATOM 710 CE1 PHE A 43 14.051 1.629 -3.176 1.00 0.00 C ATOM 711 CE2 PHE A 43 13.533 3.816 -2.362 1.00 0.00 C ATOM 712 CZ PHE A 43 14.171 2.602 -2.203 1.00 0.00 C ATOM 0 H PHE A 43 14.299 3.204 -6.035 1.00 0.00 H new ATOM 0 HA PHE A 43 12.142 1.934 -7.275 1.00 0.00 H new ATOM 0 HB2 PHE A 43 11.585 4.421 -5.738 1.00 0.00 H new ATOM 0 HB3 PHE A 43 10.867 2.828 -5.599 1.00 0.00 H new ATOM 0 HD1 PHE A 43 13.200 1.108 -5.062 1.00 0.00 H new ATOM 0 HD2 PHE A 43 12.278 5.005 -3.610 1.00 0.00 H new ATOM 0 HE1 PHE A 43 14.550 0.679 -3.055 1.00 0.00 H new ATOM 0 HE2 PHE A 43 13.626 4.579 -1.603 1.00 0.00 H new ATOM 0 HZ PHE A 43 14.763 2.413 -1.319 1.00 0.00 H new ATOM 722 N ASP A 44 10.723 3.876 -8.450 1.00 0.00 N ATOM 723 CA ASP A 44 10.165 4.745 -9.487 1.00 0.00 C ATOM 724 C ASP A 44 9.776 6.106 -8.911 1.00 0.00 C ATOM 725 O ASP A 44 8.752 6.236 -8.242 1.00 0.00 O ATOM 726 CB ASP A 44 8.940 4.084 -10.132 1.00 0.00 C ATOM 727 CG ASP A 44 8.227 5.002 -11.109 1.00 0.00 C ATOM 728 OD1 ASP A 44 8.846 5.993 -11.552 1.00 0.00 O ATOM 729 OD2 ASP A 44 7.053 4.726 -11.433 1.00 0.00 O ATOM 0 H ASP A 44 10.042 3.261 -8.005 1.00 0.00 H new ATOM 0 HA ASP A 44 10.932 4.898 -10.246 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.252 3.178 -10.652 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.243 3.779 -9.351 1.00 0.00 H new ATOM 734 N ASP A 45 10.594 7.117 -9.186 1.00 0.00 N ATOM 735 CA ASP A 45 10.332 8.470 -8.701 1.00 0.00 C ATOM 736 C ASP A 45 8.964 8.972 -9.159 1.00 0.00 C ATOM 737 O ASP A 45 8.389 9.872 -8.547 1.00 0.00 O ATOM 738 CB ASP A 45 11.423 9.425 -9.192 1.00 0.00 C ATOM 739 CG ASP A 45 12.781 9.099 -8.606 1.00 0.00 C ATOM 740 OD1 ASP A 45 12.987 9.360 -7.403 1.00 0.00 O ATOM 741 OD2 ASP A 45 13.640 8.581 -9.350 1.00 0.00 O ATOM 0 H ASP A 45 11.444 7.026 -9.742 1.00 0.00 H new ATOM 0 HA ASP A 45 10.336 8.440 -7.611 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.479 9.380 -10.280 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.153 10.448 -8.929 1.00 0.00 H new ATOM 746 N GLU A 46 8.446 8.389 -10.239 1.00 0.00 N ATOM 747 CA GLU A 46 7.145 8.788 -10.769 1.00 0.00 C ATOM 748 C GLU A 46 6.059 8.624 -9.711 1.00 0.00 C ATOM 749 O GLU A 46 5.302 9.555 -9.435 1.00 0.00 O ATOM 750 CB GLU A 46 6.796 7.963 -12.008 1.00 0.00 C ATOM 751 CG GLU A 46 5.532 8.432 -12.711 1.00 0.00 C ATOM 752 CD GLU A 46 5.352 7.795 -14.076 1.00 0.00 C ATOM 753 OE1 GLU A 46 4.976 6.607 -14.131 1.00 0.00 O ATOM 754 OE2 GLU A 46 5.589 8.487 -15.089 1.00 0.00 O ATOM 0 H GLU A 46 8.905 7.643 -10.761 1.00 0.00 H new ATOM 0 HA GLU A 46 7.202 9.840 -11.050 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.629 8.005 -12.709 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.675 6.919 -11.718 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.668 8.200 -12.089 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.563 9.516 -12.821 1.00 0.00 H new ATOM 761 N LYS A 47 5.996 7.439 -9.116 1.00 0.00 N ATOM 762 CA LYS A 47 5.011 7.160 -8.080 1.00 0.00 C ATOM 763 C LYS A 47 5.407 7.841 -6.775 1.00 0.00 C ATOM 764 O LYS A 47 4.567 8.397 -6.071 1.00 0.00 O ATOM 765 CB LYS A 47 4.875 5.651 -7.864 1.00 0.00 C ATOM 766 CG LYS A 47 4.819 4.854 -9.157 1.00 0.00 C ATOM 767 CD LYS A 47 4.290 3.449 -8.922 1.00 0.00 C ATOM 768 CE LYS A 47 4.370 2.607 -10.186 1.00 0.00 C ATOM 769 NZ LYS A 47 3.464 1.427 -10.124 1.00 0.00 N ATOM 0 H LYS A 47 6.614 6.657 -9.333 1.00 0.00 H new ATOM 0 HA LYS A 47 4.048 7.555 -8.405 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.717 5.300 -7.267 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.971 5.455 -7.287 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.181 5.369 -9.876 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.815 4.800 -9.596 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.863 2.971 -8.128 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.256 3.500 -8.582 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.109 3.221 -11.048 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.396 2.270 -10.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.851 0.661 -10.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.384 1.102 -9.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.523 1.693 -10.478 1.00 0.00 H new ATOM 783 N ILE A 48 6.700 7.801 -6.470 1.00 0.00 N ATOM 784 CA ILE A 48 7.226 8.418 -5.258 1.00 0.00 C ATOM 785 C ILE A 48 6.838 9.892 -5.189 1.00 0.00 C ATOM 786 O ILE A 48 6.367 10.373 -4.159 1.00 0.00 O ATOM 787 CB ILE A 48 8.763 8.291 -5.198 1.00 0.00 C ATOM 788 CG1 ILE A 48 9.176 6.818 -5.205 1.00 0.00 C ATOM 789 CG2 ILE A 48 9.320 8.998 -3.971 1.00 0.00 C ATOM 790 CD1 ILE A 48 8.739 6.059 -3.971 1.00 0.00 C ATOM 0 H ILE A 48 7.406 7.345 -7.049 1.00 0.00 H new ATOM 0 HA ILE A 48 6.792 7.893 -4.407 1.00 0.00 H new ATOM 0 HB ILE A 48 9.180 8.773 -6.082 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.754 6.335 -6.086 1.00 0.00 H new ATOM 0 HG13 ILE A 48 10.260 6.754 -5.295 1.00 0.00 H new ATOM 0 HG21 ILE A 48 10.405 8.894 -3.952 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.058 10.055 -4.010 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.897 8.552 -3.071 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.067 5.022 -4.046 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.182 6.516 -3.087 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.652 6.091 -3.890 1.00 0.00 H new ATOM 802 N ALA A 49 7.038 10.601 -6.295 1.00 0.00 N ATOM 803 CA ALA A 49 6.705 12.018 -6.361 1.00 0.00 C ATOM 804 C ALA A 49 5.202 12.218 -6.221 1.00 0.00 C ATOM 805 O ALA A 49 4.744 13.060 -5.448 1.00 0.00 O ATOM 806 CB ALA A 49 7.204 12.620 -7.666 1.00 0.00 C ATOM 0 H ALA A 49 7.428 10.218 -7.156 1.00 0.00 H new ATOM 0 HA ALA A 49 7.199 12.529 -5.534 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.947 13.679 -7.700 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.286 12.507 -7.729 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.736 12.106 -8.506 1.00 0.00 H new ATOM 812 N GLU A 50 4.440 11.428 -6.969 1.00 0.00 N ATOM 813 CA GLU A 50 2.986 11.503 -6.926 1.00 0.00 C ATOM 814 C GLU A 50 2.478 11.167 -5.528 1.00 0.00 C ATOM 815 O GLU A 50 1.526 11.774 -5.038 1.00 0.00 O ATOM 816 CB GLU A 50 2.378 10.543 -7.955 1.00 0.00 C ATOM 817 CG GLU A 50 0.879 10.333 -7.794 1.00 0.00 C ATOM 818 CD GLU A 50 0.114 10.563 -9.083 1.00 0.00 C ATOM 819 OE1 GLU A 50 0.448 11.524 -9.808 1.00 0.00 O ATOM 820 OE2 GLU A 50 -0.818 9.783 -9.368 1.00 0.00 O ATOM 0 H GLU A 50 4.807 10.727 -7.613 1.00 0.00 H new ATOM 0 HA GLU A 50 2.682 12.521 -7.171 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.576 10.927 -8.956 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.880 9.579 -7.878 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.694 9.318 -7.443 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.502 11.009 -7.027 1.00 0.00 H new ATOM 827 N LEU A 51 3.129 10.201 -4.887 1.00 0.00 N ATOM 828 CA LEU A 51 2.749 9.780 -3.546 1.00 0.00 C ATOM 829 C LEU A 51 2.757 10.963 -2.587 1.00 0.00 C ATOM 830 O LEU A 51 1.782 11.210 -1.879 1.00 0.00 O ATOM 831 CB LEU A 51 3.702 8.694 -3.045 1.00 0.00 C ATOM 832 CG LEU A 51 3.452 8.219 -1.613 1.00 0.00 C ATOM 833 CD1 LEU A 51 1.982 7.887 -1.407 1.00 0.00 C ATOM 834 CD2 LEU A 51 4.321 7.012 -1.297 1.00 0.00 C ATOM 0 H LEU A 51 3.924 9.695 -5.277 1.00 0.00 H new ATOM 0 HA LEU A 51 1.738 9.375 -3.587 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.632 7.835 -3.713 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.723 9.069 -3.113 1.00 0.00 H new ATOM 0 HG LEU A 51 3.718 9.026 -0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.825 7.551 -0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.379 8.775 -1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.687 7.096 -2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.132 6.685 -0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.083 6.202 -1.987 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.372 7.282 -1.403 1.00 0.00 H new ATOM 846 N LEU A 52 3.865 11.700 -2.576 1.00 0.00 N ATOM 847 CA LEU A 52 4.002 12.860 -1.713 1.00 0.00 C ATOM 848 C LEU A 52 2.845 13.828 -1.904 1.00 0.00 C ATOM 849 O LEU A 52 2.232 14.285 -0.939 1.00 0.00 O ATOM 850 CB LEU A 52 5.312 13.535 -2.003 1.00 0.00 C ATOM 851 CG LEU A 52 6.501 12.724 -1.531 1.00 0.00 C ATOM 852 CD1 LEU A 52 7.759 13.412 -1.939 1.00 0.00 C ATOM 853 CD2 LEU A 52 6.451 12.525 -0.025 1.00 0.00 C ATOM 0 H LEU A 52 4.681 11.510 -3.158 1.00 0.00 H new ATOM 0 HA LEU A 52 3.983 12.533 -0.673 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.398 13.708 -3.076 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.328 14.512 -1.520 1.00 0.00 H new ATOM 0 HG LEU A 52 6.471 11.737 -1.993 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.617 12.831 -1.601 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.788 13.504 -3.025 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.793 14.405 -1.490 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.314 11.940 0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.467 13.495 0.471 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.536 11.996 0.242 1.00 0.00 H new ATOM 865 N THR A 53 2.540 14.120 -3.163 1.00 0.00 N ATOM 866 CA THR A 53 1.445 15.022 -3.496 1.00 0.00 C ATOM 867 C THR A 53 0.113 14.416 -3.069 1.00 0.00 C ATOM 868 O THR A 53 -0.778 15.119 -2.593 1.00 0.00 O ATOM 869 CB THR A 53 1.431 15.310 -4.998 1.00 0.00 C ATOM 870 OG1 THR A 53 2.673 15.849 -5.416 1.00 0.00 O ATOM 871 CG2 THR A 53 0.348 16.281 -5.412 1.00 0.00 C ATOM 0 H THR A 53 3.037 13.744 -3.971 1.00 0.00 H new ATOM 0 HA THR A 53 1.594 15.959 -2.960 1.00 0.00 H new ATOM 0 HB THR A 53 1.236 14.349 -5.474 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.645 16.025 -6.380 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.395 16.441 -6.489 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.627 15.872 -5.148 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.495 17.231 -4.898 1.00 0.00 H new ATOM 879 N LYS A 54 -0.011 13.101 -3.239 1.00 0.00 N ATOM 880 CA LYS A 54 -1.229 12.393 -2.867 1.00 0.00 C ATOM 881 C LYS A 54 -1.459 12.476 -1.362 1.00 0.00 C ATOM 882 O LYS A 54 -2.591 12.636 -0.904 1.00 0.00 O ATOM 883 CB LYS A 54 -1.150 10.929 -3.306 1.00 0.00 C ATOM 884 CG LYS A 54 -1.723 10.679 -4.692 1.00 0.00 C ATOM 885 CD LYS A 54 -1.918 9.196 -4.956 1.00 0.00 C ATOM 886 CE LYS A 54 -3.294 8.727 -4.512 1.00 0.00 C ATOM 887 NZ LYS A 54 -4.337 9.022 -5.534 1.00 0.00 N ATOM 0 H LYS A 54 0.719 12.506 -3.632 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.069 12.868 -3.374 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.108 10.609 -3.289 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.685 10.312 -2.584 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.678 11.196 -4.790 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.055 11.098 -5.444 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.790 8.995 -6.020 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.151 8.628 -4.429 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.267 7.655 -4.319 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.558 9.213 -3.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.261 8.687 -5.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.380 10.048 -5.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.099 8.537 -6.423 1.00 0.00 H new ATOM 901 N LEU A 55 -0.377 12.375 -0.596 1.00 0.00 N ATOM 902 CA LEU A 55 -0.458 12.446 0.858 1.00 0.00 C ATOM 903 C LEU A 55 -1.045 13.785 1.293 1.00 0.00 C ATOM 904 O LEU A 55 -1.944 13.839 2.132 1.00 0.00 O ATOM 905 CB LEU A 55 0.931 12.262 1.477 1.00 0.00 C ATOM 906 CG LEU A 55 1.553 10.867 1.326 1.00 0.00 C ATOM 907 CD1 LEU A 55 2.240 10.456 2.615 1.00 0.00 C ATOM 908 CD2 LEU A 55 0.508 9.830 0.935 1.00 0.00 C ATOM 0 H LEU A 55 0.567 12.244 -0.959 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.110 11.645 1.206 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.607 12.990 1.029 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.868 12.497 2.539 1.00 0.00 H new ATOM 0 HG LEU A 55 2.292 10.916 0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.677 9.465 2.494 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.026 11.173 2.853 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.511 10.435 3.425 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.983 8.854 0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.263 9.783 1.704 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.055 10.110 -0.016 1.00 0.00 H new ATOM 920 N GLY A 56 -0.527 14.860 0.709 1.00 0.00 N ATOM 921 CA GLY A 56 -0.999 16.192 1.039 1.00 0.00 C ATOM 922 C GLY A 56 -0.066 17.269 0.522 1.00 0.00 C ATOM 923 O GLY A 56 0.029 17.492 -0.685 1.00 0.00 O ATOM 0 H GLY A 56 0.215 14.832 0.010 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.993 16.340 0.616 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.096 16.285 2.121 1.00 0.00 H new ATOM 927 N ARG A 57 0.631 17.934 1.438 1.00 0.00 N ATOM 928 CA ARG A 57 1.570 18.988 1.069 1.00 0.00 C ATOM 929 C ARG A 57 2.698 19.079 2.088 1.00 0.00 C ATOM 930 O ARG A 57 3.244 20.154 2.336 1.00 0.00 O ATOM 931 CB ARG A 57 0.852 20.333 0.955 1.00 0.00 C ATOM 932 CG ARG A 57 0.251 20.815 2.265 1.00 0.00 C ATOM 933 CD ARG A 57 -0.548 22.094 2.073 1.00 0.00 C ATOM 934 NE ARG A 57 -1.754 21.874 1.278 1.00 0.00 N ATOM 935 CZ ARG A 57 -2.709 22.785 1.112 1.00 0.00 C ATOM 936 NH1 ARG A 57 -2.603 23.979 1.682 1.00 0.00 N ATOM 937 NH2 ARG A 57 -3.772 22.502 0.373 1.00 0.00 N ATOM 0 H ARG A 57 0.563 17.762 2.441 1.00 0.00 H new ATOM 0 HA ARG A 57 1.997 18.739 0.097 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.556 21.081 0.591 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.060 20.251 0.210 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.395 20.040 2.678 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.046 20.987 2.990 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.825 22.498 3.047 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.077 22.841 1.584 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.871 20.968 0.823 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.786 24.202 2.251 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.338 24.674 1.551 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.857 21.586 -0.068 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.505 23.200 0.245 1.00 0.00 H new ATOM 951 N ASP A 58 3.041 17.939 2.673 1.00 0.00 N ATOM 952 CA ASP A 58 4.100 17.869 3.666 1.00 0.00 C ATOM 953 C ASP A 58 5.198 16.907 3.208 1.00 0.00 C ATOM 954 O ASP A 58 5.431 16.742 2.010 1.00 0.00 O ATOM 955 CB ASP A 58 3.516 17.426 5.011 1.00 0.00 C ATOM 956 CG ASP A 58 4.168 18.130 6.185 1.00 0.00 C ATOM 957 OD1 ASP A 58 3.936 19.346 6.352 1.00 0.00 O ATOM 958 OD2 ASP A 58 4.912 17.465 6.937 1.00 0.00 O ATOM 0 H ASP A 58 2.595 17.044 2.473 1.00 0.00 H new ATOM 0 HA ASP A 58 4.545 18.857 3.785 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.444 17.625 5.022 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.642 16.349 5.121 1.00 0.00 H new ATOM 963 N THR A 59 5.866 16.273 4.165 1.00 0.00 N ATOM 964 CA THR A 59 6.931 15.327 3.862 1.00 0.00 C ATOM 965 C THR A 59 6.602 13.947 4.423 1.00 0.00 C ATOM 966 O THR A 59 5.653 13.792 5.191 1.00 0.00 O ATOM 967 CB THR A 59 8.260 15.820 4.436 1.00 0.00 C ATOM 968 OG1 THR A 59 9.271 14.841 4.276 1.00 0.00 O ATOM 969 CG2 THR A 59 8.184 16.166 5.908 1.00 0.00 C ATOM 0 H THR A 59 5.687 16.399 5.161 1.00 0.00 H new ATOM 0 HA THR A 59 7.020 15.250 2.778 1.00 0.00 H new ATOM 0 HB THR A 59 8.497 16.726 3.878 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.113 15.177 4.648 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.160 16.509 6.252 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.448 16.956 6.059 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.889 15.283 6.475 1.00 0.00 H new ATOM 977 N GLN A 60 7.396 12.951 4.045 1.00 0.00 N ATOM 978 CA GLN A 60 7.186 11.593 4.519 1.00 0.00 C ATOM 979 C GLN A 60 7.762 11.424 5.916 1.00 0.00 C ATOM 980 O GLN A 60 8.961 11.213 6.091 1.00 0.00 O ATOM 981 CB GLN A 60 7.828 10.585 3.567 1.00 0.00 C ATOM 982 CG GLN A 60 9.324 10.784 3.385 1.00 0.00 C ATOM 983 CD GLN A 60 9.768 10.583 1.950 1.00 0.00 C ATOM 984 OE1 GLN A 60 10.396 11.458 1.354 1.00 0.00 O ATOM 985 NE2 GLN A 60 9.440 9.427 1.386 1.00 0.00 N ATOM 0 H GLN A 60 8.189 13.061 3.413 1.00 0.00 H new ATOM 0 HA GLN A 60 6.113 11.407 4.554 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.647 9.578 3.943 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.340 10.655 2.595 1.00 0.00 H new ATOM 0 HG2 GLN A 60 9.595 11.789 3.708 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.861 10.087 4.029 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.919 8.730 1.918 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.709 9.236 0.421 1.00 0.00 H new ATOM 994 N ILE A 61 6.887 11.517 6.901 1.00 0.00 N ATOM 995 CA ILE A 61 7.278 11.379 8.299 1.00 0.00 C ATOM 996 C ILE A 61 7.465 9.915 8.675 1.00 0.00 C ATOM 997 O ILE A 61 6.557 9.283 9.216 1.00 0.00 O ATOM 998 CB ILE A 61 6.231 12.008 9.238 1.00 0.00 C ATOM 999 CG1 ILE A 61 5.870 13.417 8.766 1.00 0.00 C ATOM 1000 CG2 ILE A 61 6.753 12.040 10.667 1.00 0.00 C ATOM 1001 CD1 ILE A 61 7.040 14.376 8.776 1.00 0.00 C ATOM 0 H ILE A 61 5.892 11.689 6.760 1.00 0.00 H new ATOM 0 HA ILE A 61 8.225 11.905 8.417 1.00 0.00 H new ATOM 0 HB ILE A 61 5.330 11.396 9.214 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.466 13.360 7.755 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.080 13.814 9.404 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.002 12.487 11.319 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.964 11.024 11.000 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.667 12.632 10.707 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.711 15.356 8.429 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.431 14.462 9.790 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.823 14.002 8.116 1.00 0.00 H new ATOM 1013 N GLY A 62 8.645 9.380 8.385 1.00 0.00 N ATOM 1014 CA GLY A 62 8.928 7.992 8.700 1.00 0.00 C ATOM 1015 C GLY A 62 7.931 7.042 8.067 1.00 0.00 C ATOM 1016 O GLY A 62 7.719 5.933 8.560 1.00 0.00 O ATOM 0 H GLY A 62 9.411 9.883 7.937 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.932 7.742 8.358 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.917 7.858 9.782 1.00 0.00 H new ATOM 1020 N LEU A 63 7.311 7.478 6.975 1.00 0.00 N ATOM 1021 CA LEU A 63 6.330 6.659 6.275 1.00 0.00 C ATOM 1022 C LEU A 63 6.958 5.358 5.786 1.00 0.00 C ATOM 1023 O LEU A 63 8.103 5.340 5.334 1.00 0.00 O ATOM 1024 CB LEU A 63 5.734 7.432 5.094 1.00 0.00 C ATOM 1025 CG LEU A 63 4.205 7.433 5.025 1.00 0.00 C ATOM 1026 CD1 LEU A 63 3.664 6.015 5.127 1.00 0.00 C ATOM 1027 CD2 LEU A 63 3.623 8.308 6.125 1.00 0.00 C ATOM 0 H LEU A 63 7.471 8.394 6.556 1.00 0.00 H new ATOM 0 HA LEU A 63 5.532 6.414 6.976 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.081 8.464 5.143 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.124 7.008 4.168 1.00 0.00 H new ATOM 0 HG LEU A 63 3.904 7.845 4.062 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.575 6.036 5.076 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.054 5.417 4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.974 5.574 6.075 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.535 8.297 6.061 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.933 7.925 7.097 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.983 9.330 6.006 1.00 0.00 H new ATOM 1039 N THR A 64 6.200 4.272 5.882 1.00 0.00 N ATOM 1040 CA THR A 64 6.684 2.968 5.453 1.00 0.00 C ATOM 1041 C THR A 64 5.729 2.331 4.449 1.00 0.00 C ATOM 1042 O THR A 64 4.609 2.802 4.253 1.00 0.00 O ATOM 1043 CB THR A 64 6.860 2.045 6.659 1.00 0.00 C ATOM 1044 OG1 THR A 64 5.603 1.598 7.137 1.00 0.00 O ATOM 1045 CG2 THR A 64 7.584 2.703 7.815 1.00 0.00 C ATOM 0 H THR A 64 5.250 4.270 6.253 1.00 0.00 H new ATOM 0 HA THR A 64 7.649 3.112 4.967 1.00 0.00 H new ATOM 0 HB THR A 64 7.464 1.212 6.300 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.737 1.007 7.907 1.00 0.00 H new ATOM 0 HG21 THR A 64 7.676 1.994 8.638 1.00 0.00 H new ATOM 0 HG22 THR A 64 8.577 3.015 7.492 1.00 0.00 H new ATOM 0 HG23 THR A 64 7.021 3.575 8.148 1.00 0.00 H new ATOM 1053 N MET A 65 6.179 1.251 3.823 1.00 0.00 N ATOM 1054 CA MET A 65 5.368 0.541 2.847 1.00 0.00 C ATOM 1055 C MET A 65 4.897 -0.795 3.409 1.00 0.00 C ATOM 1056 O MET A 65 5.501 -1.336 4.334 1.00 0.00 O ATOM 1057 CB MET A 65 6.156 0.320 1.555 1.00 0.00 C ATOM 1058 CG MET A 65 6.192 1.542 0.650 1.00 0.00 C ATOM 1059 SD MET A 65 7.794 2.369 0.657 1.00 0.00 S ATOM 1060 CE MET A 65 7.609 3.452 2.071 1.00 0.00 C ATOM 0 H MET A 65 7.104 0.848 3.975 1.00 0.00 H new ATOM 0 HA MET A 65 4.493 1.151 2.623 1.00 0.00 H new ATOM 0 HB2 MET A 65 7.177 0.033 1.806 1.00 0.00 H new ATOM 0 HB3 MET A 65 5.716 -0.514 1.009 1.00 0.00 H new ATOM 0 HG2 MET A 65 5.948 1.241 -0.369 1.00 0.00 H new ATOM 0 HG3 MET A 65 5.423 2.246 0.967 1.00 0.00 H new ATOM 0 HE1 MET A 65 8.088 4.408 1.862 1.00 0.00 H new ATOM 0 HE2 MET A 65 6.549 3.613 2.270 1.00 0.00 H new ATOM 0 HE3 MET A 65 8.077 2.995 2.943 1.00 0.00 H new ATOM 1070 N PRO A 66 3.799 -1.344 2.863 1.00 0.00 N ATOM 1071 CA PRO A 66 3.047 -0.740 1.762 1.00 0.00 C ATOM 1072 C PRO A 66 2.072 0.341 2.229 1.00 0.00 C ATOM 1073 O PRO A 66 1.446 0.217 3.281 1.00 0.00 O ATOM 1074 CB PRO A 66 2.272 -1.928 1.164 1.00 0.00 C ATOM 1075 CG PRO A 66 2.696 -3.129 1.948 1.00 0.00 C ATOM 1076 CD PRO A 66 3.203 -2.614 3.260 1.00 0.00 C ATOM 0 HA PRO A 66 3.708 -0.237 1.057 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.196 -1.771 1.241 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.501 -2.051 0.106 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.860 -3.813 2.095 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.473 -3.684 1.421 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.401 -2.482 3.986 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.933 -3.287 3.710 1.00 0.00 H new ATOM 1084 N GLN A 67 1.932 1.390 1.420 1.00 0.00 N ATOM 1085 CA GLN A 67 1.020 2.483 1.730 1.00 0.00 C ATOM 1086 C GLN A 67 -0.277 2.321 0.947 1.00 0.00 C ATOM 1087 O GLN A 67 -0.280 2.379 -0.282 1.00 0.00 O ATOM 1088 CB GLN A 67 1.668 3.828 1.398 1.00 0.00 C ATOM 1089 CG GLN A 67 2.382 4.469 2.576 1.00 0.00 C ATOM 1090 CD GLN A 67 3.100 5.749 2.196 1.00 0.00 C ATOM 1091 OE1 GLN A 67 2.511 6.829 2.198 1.00 0.00 O ATOM 1092 NE2 GLN A 67 4.382 5.632 1.867 1.00 0.00 N ATOM 0 H GLN A 67 2.441 1.503 0.543 1.00 0.00 H new ATOM 0 HA GLN A 67 0.796 2.457 2.796 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.381 3.687 0.585 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.901 4.511 1.034 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.658 4.683 3.362 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.102 3.762 2.989 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.830 4.716 1.879 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.918 6.458 1.602 1.00 0.00 H new ATOM 1101 N VAL A 68 -1.374 2.097 1.656 1.00 0.00 N ATOM 1102 CA VAL A 68 -2.664 1.910 1.008 1.00 0.00 C ATOM 1103 C VAL A 68 -3.405 3.231 0.835 1.00 0.00 C ATOM 1104 O VAL A 68 -3.067 4.236 1.461 1.00 0.00 O ATOM 1105 CB VAL A 68 -3.555 0.925 1.795 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -4.707 0.435 0.933 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -2.734 -0.249 2.308 1.00 0.00 C ATOM 0 H VAL A 68 -1.397 2.041 2.674 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.457 1.492 0.023 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.971 1.454 2.653 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.322 -0.258 1.507 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.314 1.284 0.619 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.313 -0.074 0.053 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.380 -0.931 2.860 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.286 -0.775 1.465 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.947 0.118 2.967 1.00 0.00 H new ATOM 1117 N PHE A 69 -4.423 3.217 -0.023 1.00 0.00 N ATOM 1118 CA PHE A 69 -5.217 4.407 -0.289 1.00 0.00 C ATOM 1119 C PHE A 69 -6.688 4.042 -0.472 1.00 0.00 C ATOM 1120 O PHE A 69 -7.025 3.111 -1.203 1.00 0.00 O ATOM 1121 CB PHE A 69 -4.694 5.120 -1.536 1.00 0.00 C ATOM 1122 CG PHE A 69 -3.480 5.964 -1.276 1.00 0.00 C ATOM 1123 CD1 PHE A 69 -3.611 7.241 -0.763 1.00 0.00 C ATOM 1124 CD2 PHE A 69 -2.210 5.476 -1.546 1.00 0.00 C ATOM 1125 CE1 PHE A 69 -2.497 8.023 -0.522 1.00 0.00 C ATOM 1126 CE2 PHE A 69 -1.091 6.253 -1.308 1.00 0.00 C ATOM 1127 CZ PHE A 69 -1.235 7.529 -0.796 1.00 0.00 C ATOM 0 H PHE A 69 -4.715 2.391 -0.545 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.131 5.078 0.566 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -4.454 4.377 -2.297 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.485 5.750 -1.944 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.595 7.632 -0.548 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -2.094 4.480 -1.946 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.612 9.019 -0.120 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.107 5.864 -1.522 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.363 8.139 -0.610 1.00 0.00 H new ATOM 1137 N ALA A 70 -7.552 4.775 0.220 1.00 0.00 N ATOM 1138 CA ALA A 70 -8.993 4.536 0.173 1.00 0.00 C ATOM 1139 C ALA A 70 -9.515 4.399 -1.256 1.00 0.00 C ATOM 1140 O ALA A 70 -8.951 4.963 -2.194 1.00 0.00 O ATOM 1141 CB ALA A 70 -9.729 5.654 0.895 1.00 0.00 C ATOM 0 H ALA A 70 -7.278 5.548 0.827 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.181 3.587 0.676 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.802 5.468 0.855 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.405 5.690 1.935 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.508 6.606 0.413 1.00 0.00 H new ATOM 1147 N PRO A 71 -10.617 3.644 -1.430 1.00 0.00 N ATOM 1148 CA PRO A 71 -11.247 3.433 -2.741 1.00 0.00 C ATOM 1149 C PRO A 71 -11.669 4.743 -3.395 1.00 0.00 C ATOM 1150 O PRO A 71 -11.825 4.818 -4.614 1.00 0.00 O ATOM 1151 CB PRO A 71 -12.480 2.581 -2.408 1.00 0.00 C ATOM 1152 CG PRO A 71 -12.154 1.934 -1.111 1.00 0.00 C ATOM 1153 CD PRO A 71 -11.348 2.948 -0.355 1.00 0.00 C ATOM 0 HA PRO A 71 -10.566 2.964 -3.452 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -13.376 3.196 -2.329 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.670 1.839 -3.184 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -13.059 1.666 -0.567 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -11.588 1.014 -1.261 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -11.983 3.630 0.211 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.670 2.478 0.357 1.00 0.00 H new ATOM 1161 N ASP A 72 -11.855 5.774 -2.576 1.00 0.00 N ATOM 1162 CA ASP A 72 -12.264 7.083 -3.074 1.00 0.00 C ATOM 1163 C ASP A 72 -11.074 8.036 -3.159 1.00 0.00 C ATOM 1164 O ASP A 72 -11.086 8.989 -3.938 1.00 0.00 O ATOM 1165 CB ASP A 72 -13.346 7.674 -2.172 1.00 0.00 C ATOM 1166 CG ASP A 72 -14.678 7.814 -2.883 1.00 0.00 C ATOM 1167 OD1 ASP A 72 -15.196 6.791 -3.379 1.00 0.00 O ATOM 1168 OD2 ASP A 72 -15.203 8.945 -2.945 1.00 0.00 O ATOM 0 H ASP A 72 -11.729 5.728 -1.565 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.667 6.953 -4.078 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -13.470 7.039 -1.295 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -13.023 8.652 -1.815 1.00 0.00 H new ATOM 1173 N GLY A 73 -10.049 7.778 -2.352 1.00 0.00 N ATOM 1174 CA GLY A 73 -8.873 8.627 -2.359 1.00 0.00 C ATOM 1175 C GLY A 73 -8.531 9.167 -0.983 1.00 0.00 C ATOM 1176 O GLY A 73 -9.059 10.197 -0.565 1.00 0.00 O ATOM 0 H GLY A 73 -10.012 6.998 -1.695 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.024 8.062 -2.744 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -9.036 9.461 -3.042 1.00 0.00 H new ATOM 1180 N SER A 74 -7.642 8.472 -0.280 1.00 0.00 N ATOM 1181 CA SER A 74 -7.223 8.887 1.055 1.00 0.00 C ATOM 1182 C SER A 74 -6.193 7.918 1.624 1.00 0.00 C ATOM 1183 O SER A 74 -6.271 6.713 1.399 1.00 0.00 O ATOM 1184 CB SER A 74 -8.430 8.973 1.992 1.00 0.00 C ATOM 1185 OG SER A 74 -8.031 9.313 3.308 1.00 0.00 O ATOM 0 H SER A 74 -7.197 7.617 -0.613 1.00 0.00 H new ATOM 0 HA SER A 74 -6.766 9.873 0.974 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.132 9.718 1.618 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.954 8.018 2.003 1.00 0.00 H new ATOM 0 HG SER A 74 -8.820 9.363 3.886 1.00 0.00 H new ATOM 1191 N HIS A 75 -5.225 8.450 2.361 1.00 0.00 N ATOM 1192 CA HIS A 75 -4.179 7.625 2.957 1.00 0.00 C ATOM 1193 C HIS A 75 -4.724 6.815 4.128 1.00 0.00 C ATOM 1194 O HIS A 75 -4.973 7.354 5.206 1.00 0.00 O ATOM 1195 CB HIS A 75 -3.017 8.503 3.425 1.00 0.00 C ATOM 1196 CG HIS A 75 -1.718 7.767 3.538 1.00 0.00 C ATOM 1197 ND1 HIS A 75 -0.685 8.156 4.362 1.00 0.00 N ATOM 1198 CD2 HIS A 75 -1.292 6.643 2.907 1.00 0.00 C ATOM 1199 CE1 HIS A 75 0.315 7.277 4.209 1.00 0.00 C ATOM 1200 NE2 HIS A 75 -0.004 6.338 3.338 1.00 0.00 N ATOM 0 H HIS A 75 -5.142 9.447 2.560 1.00 0.00 H new ATOM 0 HA HIS A 75 -3.820 6.931 2.197 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.896 9.333 2.728 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -3.266 8.935 4.394 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -0.682 8.968 4.979 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -1.862 6.076 2.186 1.00 0.00 H new ATOM 0 HE1 HIS A 75 1.259 7.330 4.731 1.00 0.00 H new ATOM 1208 N ILE A 76 -4.901 5.514 3.911 1.00 0.00 N ATOM 1209 CA ILE A 76 -5.412 4.630 4.953 1.00 0.00 C ATOM 1210 C ILE A 76 -4.307 4.243 5.927 1.00 0.00 C ATOM 1211 O ILE A 76 -4.460 4.378 7.142 1.00 0.00 O ATOM 1212 CB ILE A 76 -6.021 3.344 4.359 1.00 0.00 C ATOM 1213 CG1 ILE A 76 -7.042 3.683 3.273 1.00 0.00 C ATOM 1214 CG2 ILE A 76 -6.663 2.505 5.455 1.00 0.00 C ATOM 1215 CD1 ILE A 76 -7.386 2.505 2.387 1.00 0.00 C ATOM 0 H ILE A 76 -4.699 5.050 3.025 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.191 5.182 5.479 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.220 2.762 3.904 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -7.953 4.054 3.743 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -6.651 4.491 2.655 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.088 1.601 5.019 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.909 2.232 6.193 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.452 3.081 5.939 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.115 2.814 1.638 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -6.484 2.148 1.890 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.807 1.704 2.994 1.00 0.00 H new ATOM 1227 N GLY A 77 -3.198 3.752 5.387 1.00 0.00 N ATOM 1228 CA GLY A 77 -2.085 3.346 6.222 1.00 0.00 C ATOM 1229 C GLY A 77 -1.528 1.995 5.827 1.00 0.00 C ATOM 1230 O GLY A 77 -1.639 1.581 4.673 1.00 0.00 O ATOM 0 H GLY A 77 -3.050 3.628 4.385 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.295 4.094 6.158 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.409 3.312 7.262 1.00 0.00 H new ATOM 1234 N GLY A 78 -0.923 1.310 6.787 1.00 0.00 N ATOM 1235 CA GLY A 78 -0.351 0.003 6.524 1.00 0.00 C ATOM 1236 C GLY A 78 -1.360 -1.114 6.703 1.00 0.00 C ATOM 1237 O GLY A 78 -2.550 -0.931 6.445 1.00 0.00 O ATOM 0 H GLY A 78 -0.817 1.637 7.747 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.039 -0.022 5.506 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.493 -0.163 7.193 1.00 0.00 H new ATOM 1241 N PHE A 79 -0.889 -2.276 7.147 1.00 0.00 N ATOM 1242 CA PHE A 79 -1.766 -3.420 7.361 1.00 0.00 C ATOM 1243 C PHE A 79 -2.683 -3.178 8.556 1.00 0.00 C ATOM 1244 O PHE A 79 -3.906 -3.204 8.427 1.00 0.00 O ATOM 1245 CB PHE A 79 -0.946 -4.694 7.578 1.00 0.00 C ATOM 1246 CG PHE A 79 -1.789 -5.928 7.738 1.00 0.00 C ATOM 1247 CD1 PHE A 79 -2.629 -6.348 6.717 1.00 0.00 C ATOM 1248 CD2 PHE A 79 -1.745 -6.665 8.911 1.00 0.00 C ATOM 1249 CE1 PHE A 79 -3.408 -7.480 6.864 1.00 0.00 C ATOM 1250 CE2 PHE A 79 -2.522 -7.799 9.062 1.00 0.00 C ATOM 1251 CZ PHE A 79 -3.355 -8.207 8.038 1.00 0.00 C ATOM 0 H PHE A 79 0.092 -2.449 7.365 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.380 -3.547 6.470 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.272 -4.831 6.733 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.325 -4.570 8.465 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.675 -5.784 5.797 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -1.097 -6.350 9.716 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.058 -7.796 6.062 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -2.478 -8.366 9.980 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.963 -9.092 8.155 1.00 0.00 H new ATOM 1261 N ASP A 80 -2.081 -2.933 9.716 1.00 0.00 N ATOM 1262 CA ASP A 80 -2.843 -2.680 10.935 1.00 0.00 C ATOM 1263 C ASP A 80 -3.811 -1.519 10.737 1.00 0.00 C ATOM 1264 O ASP A 80 -4.975 -1.591 11.134 1.00 0.00 O ATOM 1265 CB ASP A 80 -1.899 -2.375 12.100 1.00 0.00 C ATOM 1266 CG ASP A 80 -2.566 -2.564 13.448 1.00 0.00 C ATOM 1267 OD1 ASP A 80 -2.648 -3.720 13.914 1.00 0.00 O ATOM 1268 OD2 ASP A 80 -3.007 -1.555 14.039 1.00 0.00 O ATOM 0 H ASP A 80 -1.069 -2.904 9.838 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.417 -3.577 11.167 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.025 -3.024 12.036 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.541 -1.349 12.015 1.00 0.00 H new ATOM 1273 N GLN A 81 -3.322 -0.448 10.116 1.00 0.00 N ATOM 1274 CA GLN A 81 -4.146 0.728 9.859 1.00 0.00 C ATOM 1275 C GLN A 81 -5.370 0.351 9.034 1.00 0.00 C ATOM 1276 O GLN A 81 -6.484 0.796 9.316 1.00 0.00 O ATOM 1277 CB GLN A 81 -3.332 1.796 9.127 1.00 0.00 C ATOM 1278 CG GLN A 81 -2.375 2.556 10.028 1.00 0.00 C ATOM 1279 CD GLN A 81 -1.299 1.666 10.619 1.00 0.00 C ATOM 1280 OE1 GLN A 81 -0.619 0.933 9.901 1.00 0.00 O ATOM 1281 NE2 GLN A 81 -1.140 1.725 11.936 1.00 0.00 N ATOM 0 H GLN A 81 -2.361 -0.371 9.782 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.479 1.131 10.816 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.765 1.322 8.326 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.016 2.504 8.658 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -1.905 3.358 9.459 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -2.937 3.025 10.835 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.726 2.347 12.493 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.432 1.148 12.391 1.00 0.00 H new ATOM 1290 N LEU A 82 -5.155 -0.476 8.018 1.00 0.00 N ATOM 1291 CA LEU A 82 -6.238 -0.922 7.155 1.00 0.00 C ATOM 1292 C LEU A 82 -7.282 -1.705 7.935 1.00 0.00 C ATOM 1293 O LEU A 82 -8.475 -1.427 7.835 1.00 0.00 O ATOM 1294 CB LEU A 82 -5.704 -1.753 6.010 1.00 0.00 C ATOM 1295 CG LEU A 82 -6.689 -1.879 4.860 1.00 0.00 C ATOM 1296 CD1 LEU A 82 -6.223 -1.094 3.649 1.00 0.00 C ATOM 1297 CD2 LEU A 82 -6.898 -3.329 4.525 1.00 0.00 C ATOM 0 H LEU A 82 -4.239 -0.851 7.773 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.719 -0.034 6.746 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.780 -1.305 5.643 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.452 -2.748 6.377 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.643 -1.453 5.169 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.949 -1.204 2.843 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.130 -0.040 3.912 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.255 -1.473 3.320 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.605 -3.414 3.700 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.947 -3.776 4.235 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.294 -3.850 5.397 1.00 0.00 H new ATOM 1309 N ARG A 83 -6.836 -2.671 8.732 1.00 0.00 N ATOM 1310 CA ARG A 83 -7.757 -3.463 9.542 1.00 0.00 C ATOM 1311 C ARG A 83 -8.672 -2.534 10.331 1.00 0.00 C ATOM 1312 O ARG A 83 -9.826 -2.862 10.606 1.00 0.00 O ATOM 1313 CB ARG A 83 -6.982 -4.378 10.493 1.00 0.00 C ATOM 1314 CG ARG A 83 -7.813 -5.520 11.053 1.00 0.00 C ATOM 1315 CD ARG A 83 -7.111 -6.194 12.221 1.00 0.00 C ATOM 1316 NE ARG A 83 -7.443 -5.563 13.497 1.00 0.00 N ATOM 1317 CZ ARG A 83 -6.791 -5.800 14.633 1.00 0.00 C ATOM 1318 NH1 ARG A 83 -5.778 -6.656 14.659 1.00 0.00 N ATOM 1319 NH2 ARG A 83 -7.156 -5.180 15.748 1.00 0.00 N ATOM 0 H ARG A 83 -5.853 -2.923 8.835 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.362 -4.087 8.884 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.122 -4.791 9.966 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.594 -3.783 11.320 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -8.782 -5.142 11.378 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -8.003 -6.253 10.269 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.391 -7.247 12.254 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.033 -6.155 12.067 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.220 -4.902 13.518 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.495 -7.137 13.805 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.282 -6.833 15.533 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -7.936 -4.522 15.734 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -6.657 -5.361 16.619 1.00 0.00 H new ATOM 1333 N GLU A 84 -8.148 -1.356 10.665 1.00 0.00 N ATOM 1334 CA GLU A 84 -8.918 -0.358 11.390 1.00 0.00 C ATOM 1335 C GLU A 84 -9.915 0.293 10.442 1.00 0.00 C ATOM 1336 O GLU A 84 -11.038 0.621 10.826 1.00 0.00 O ATOM 1337 CB GLU A 84 -7.995 0.702 11.995 1.00 0.00 C ATOM 1338 CG GLU A 84 -8.540 1.328 13.268 1.00 0.00 C ATOM 1339 CD GLU A 84 -7.463 1.570 14.306 1.00 0.00 C ATOM 1340 OE1 GLU A 84 -7.175 0.640 15.090 1.00 0.00 O ATOM 1341 OE2 GLU A 84 -6.906 2.687 14.336 1.00 0.00 O ATOM 0 H GLU A 84 -7.193 -1.073 10.443 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.454 -0.845 12.205 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.027 0.250 12.208 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.825 1.487 11.258 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.024 2.274 13.025 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.306 0.677 13.690 1.00 0.00 H new ATOM 1348 N TYR A 85 -9.500 0.446 9.185 1.00 0.00 N ATOM 1349 CA TYR A 85 -10.356 1.021 8.163 1.00 0.00 C ATOM 1350 C TYR A 85 -11.533 0.088 7.907 1.00 0.00 C ATOM 1351 O TYR A 85 -12.640 0.527 7.601 1.00 0.00 O ATOM 1352 CB TYR A 85 -9.553 1.230 6.877 1.00 0.00 C ATOM 1353 CG TYR A 85 -10.272 2.030 5.816 1.00 0.00 C ATOM 1354 CD1 TYR A 85 -11.340 1.489 5.115 1.00 0.00 C ATOM 1355 CD2 TYR A 85 -9.872 3.323 5.509 1.00 0.00 C ATOM 1356 CE1 TYR A 85 -11.993 2.216 4.138 1.00 0.00 C ATOM 1357 CE2 TYR A 85 -10.518 4.057 4.533 1.00 0.00 C ATOM 1358 CZ TYR A 85 -11.577 3.499 3.850 1.00 0.00 C ATOM 1359 OH TYR A 85 -12.223 4.226 2.877 1.00 0.00 O ATOM 0 H TYR A 85 -8.573 0.177 8.855 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.734 1.986 8.500 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -8.619 1.734 7.124 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.290 0.256 6.465 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -11.666 0.484 5.336 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -9.042 3.763 6.042 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -12.825 1.782 3.603 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -10.195 5.062 4.307 1.00 0.00 H new ATOM 0 HH TYR A 85 -11.807 5.110 2.799 1.00 0.00 H new ATOM 1369 N PHE A 86 -11.273 -1.211 8.054 1.00 0.00 N ATOM 1370 CA PHE A 86 -12.288 -2.240 7.851 1.00 0.00 C ATOM 1371 C PHE A 86 -13.031 -2.546 9.148 1.00 0.00 C ATOM 1372 O PHE A 86 -14.207 -2.213 9.294 1.00 0.00 O ATOM 1373 CB PHE A 86 -11.627 -3.513 7.309 1.00 0.00 C ATOM 1374 CG PHE A 86 -11.383 -3.468 5.828 1.00 0.00 C ATOM 1375 CD1 PHE A 86 -12.372 -3.026 4.964 1.00 0.00 C ATOM 1376 CD2 PHE A 86 -10.161 -3.847 5.304 1.00 0.00 C ATOM 1377 CE1 PHE A 86 -12.143 -2.963 3.605 1.00 0.00 C ATOM 1378 CE2 PHE A 86 -9.929 -3.790 3.943 1.00 0.00 C ATOM 1379 CZ PHE A 86 -10.920 -3.346 3.094 1.00 0.00 C ATOM 0 H PHE A 86 -10.357 -1.576 8.316 1.00 0.00 H new ATOM 0 HA PHE A 86 -13.015 -1.870 7.128 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -10.678 -3.669 7.822 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -12.259 -4.370 7.541 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -13.332 -2.728 5.359 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.380 -4.191 5.965 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -12.921 -2.614 2.942 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -8.972 -4.093 3.545 1.00 0.00 H new ATOM 0 HZ PHE A 86 -10.739 -3.298 2.030 1.00 0.00 H new ATOM 1389 N LYS A 87 -12.338 -3.182 10.088 1.00 0.00 N ATOM 1390 CA LYS A 87 -12.935 -3.533 11.372 1.00 0.00 C ATOM 1391 C LYS A 87 -14.133 -4.457 11.181 1.00 0.00 C ATOM 1392 O LYS A 87 -15.262 -3.940 11.048 1.00 0.00 O ATOM 1393 CB LYS A 87 -13.364 -2.269 12.120 1.00 0.00 C ATOM 1394 CG LYS A 87 -12.236 -1.605 12.891 1.00 0.00 C ATOM 1395 CD LYS A 87 -12.173 -2.103 14.325 1.00 0.00 C ATOM 1396 CE LYS A 87 -11.838 -0.978 15.291 1.00 0.00 C ATOM 1397 NZ LYS A 87 -12.821 0.137 15.208 1.00 0.00 N ATOM 1398 OXT LYS A 87 -13.931 -5.689 11.165 1.00 0.00 O ATOM 0 H LYS A 87 -11.363 -3.465 9.985 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.185 -4.059 11.962 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.773 -1.555 11.405 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.167 -2.522 12.813 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.287 -1.805 12.393 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -12.377 -0.524 12.886 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.130 -2.547 14.600 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.422 -2.889 14.406 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.817 -1.368 16.309 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.840 -0.598 15.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.871 0.625 16.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.521 0.810 14.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.758 -0.244 14.967 1.00 0.00 H new