USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 762 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 98 SER OG : rot 87:sc= 1.07 USER MOD Set 1.2: A 99 ASN : amide:sc= 0.309 K(o=1.4,f=-3.2!) USER MOD Set 2.1: A 88 CYS SG : rot 180:sc= -0.866 USER MOD Set 2.2: A 95 SER OG : rot -140:sc= 0.546 USER MOD Set 3.1: A 39 THR OG1 : rot 160:sc= -1.02 USER MOD Set 3.2: A 90 ASN : amide:sc= -3.09! C(o=-4.1!,f=-13!) USER MOD Set 4.1: A 77 GLN : amide:sc= -0.0161 K(o=0.26,f=-0.34) USER MOD Set 4.2: A 80 THR OG1 : rot 60:sc= 0.277 USER MOD Set 5.1: A 55 ASN : amide:sc= 0.228 K(o=1.5,f=-2.6!) USER MOD Set 5.2: A 57 SER OG : rot 75:sc= 1.22 USER MOD Set 6.1: A 31 TYR OH : rot -39:sc= -3.51! USER MOD Set 6.2: A 36 ASN : amide:sc= -3.31! C(o=-6.8!,f=-6.5!) USER MOD Set 7.1: A 17 THR OG1 : rot 150:sc= 0 USER MOD Set 7.2: A 101 MET CE :methyl -113:sc= -0.0499 (180deg=-0.184) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc=-0.00404 USER MOD Single : A 21 ASN : amide:sc= -1.6 K(o=-1.6,f=-4.2!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0858 USER MOD Single : A 26 MET CE :methyl -113:sc= -1.51 (180deg=-3.04!) USER MOD Single : A 28 LYS NZ :NH3+ -166:sc=-0.00211 (180deg=-0.0888) USER MOD Single : A 30 MET CE :methyl -116:sc= -0.248 (180deg=-3.46!) USER MOD Single : A 35 SER OG : rot -45:sc= 0.861 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 38 ASN : amide:sc= -0.231 K(o=-0.23,f=-1.2) USER MOD Single : A 42 HIS : no HD1:sc= -1.54 K(o=-1.5,f=-0.4) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 165:sc= -1.4 USER MOD Single : A 48 TYR OH : rot -29:sc= 0.494 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -13:sc= -4.37! USER MOD Single : A 59 TYR OH : rot -39:sc= 0.96 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -162:sc= -0.0208 (180deg=-0.274) USER MOD Single : A 69 TYR OH : rot 120:sc= -1.37 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 37:sc= 0.67 USER MOD Single : A 74 SER OG : rot 180:sc=-0.00158 USER MOD Single : A 75 HIS : no HD1:sc= -0.0781 X(o=-0.078,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 165:sc= -7.31! USER MOD Single : A 85 LYS NZ :NH3+ -113:sc=-0.00354 (180deg=-2.01!) USER MOD Single : A 86 MET CE :methyl -147:sc= -0.7 (180deg=-3.84!) USER MOD Single : A 87 GLN : amide:sc= -2.93 K(o=-2.9,f=-11!) USER MOD Single : A 103 CYS SG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot -166:sc= 2.19 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 11.630 11.499 -5.788 1.00 0.00 N ATOM 67 CA PRO A 8 11.839 10.557 -4.684 1.00 0.00 C ATOM 68 C PRO A 8 12.036 9.126 -5.173 1.00 0.00 C ATOM 69 O PRO A 8 11.275 8.633 -6.005 1.00 0.00 O ATOM 70 CB PRO A 8 10.547 10.672 -3.871 1.00 0.00 C ATOM 71 CG PRO A 8 9.523 11.132 -4.851 1.00 0.00 C ATOM 72 CD PRO A 8 10.251 12.012 -5.828 1.00 0.00 C ATOM 0 HA PRO A 8 12.739 10.789 -4.114 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.271 9.715 -3.429 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.657 11.381 -3.051 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.060 10.285 -5.358 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.724 11.680 -4.352 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.825 11.940 -6.829 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.204 13.061 -5.536 1.00 0.00 H new ATOM 80 N VAL A 9 13.063 8.464 -4.650 1.00 0.00 N ATOM 81 CA VAL A 9 13.359 7.088 -5.032 1.00 0.00 C ATOM 82 C VAL A 9 13.297 6.157 -3.826 1.00 0.00 C ATOM 83 O VAL A 9 12.743 5.061 -3.903 1.00 0.00 O ATOM 84 CB VAL A 9 14.750 6.973 -5.683 1.00 0.00 C ATOM 85 CG1 VAL A 9 14.802 7.771 -6.977 1.00 0.00 C ATOM 86 CG2 VAL A 9 15.830 7.438 -4.717 1.00 0.00 C ATOM 0 H VAL A 9 13.704 8.858 -3.961 1.00 0.00 H new ATOM 0 HA VAL A 9 12.601 6.791 -5.756 1.00 0.00 H new ATOM 0 HB VAL A 9 14.934 5.926 -5.922 1.00 0.00 H new ATOM 0 HG11 VAL A 9 15.792 7.678 -7.422 1.00 0.00 H new ATOM 0 HG12 VAL A 9 14.054 7.388 -7.671 1.00 0.00 H new ATOM 0 HG13 VAL A 9 14.597 8.820 -6.766 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.807 7.350 -5.193 1.00 0.00 H new ATOM 0 HG22 VAL A 9 15.651 8.478 -4.445 1.00 0.00 H new ATOM 0 HG23 VAL A 9 15.807 6.819 -3.820 1.00 0.00 H new ATOM 96 N ALA A 10 13.869 6.602 -2.711 1.00 0.00 N ATOM 97 CA ALA A 10 13.876 5.811 -1.488 1.00 0.00 C ATOM 98 C ALA A 10 12.546 5.090 -1.292 1.00 0.00 C ATOM 99 O ALA A 10 12.507 3.957 -0.816 1.00 0.00 O ATOM 100 CB ALA A 10 14.180 6.696 -0.288 1.00 0.00 C ATOM 0 H ALA A 10 14.333 7.507 -2.631 1.00 0.00 H new ATOM 0 HA ALA A 10 14.658 5.057 -1.577 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.182 6.091 0.619 1.00 0.00 H new ATOM 0 HB2 ALA A 10 15.158 7.160 -0.417 1.00 0.00 H new ATOM 0 HB3 ALA A 10 13.418 7.471 -0.205 1.00 0.00 H new ATOM 106 N GLY A 11 11.457 5.756 -1.663 1.00 0.00 N ATOM 107 CA GLY A 11 10.140 5.164 -1.520 1.00 0.00 C ATOM 108 C GLY A 11 9.826 4.789 -0.085 1.00 0.00 C ATOM 109 O GLY A 11 10.720 4.555 0.728 1.00 0.00 O ATOM 0 H GLY A 11 11.463 6.695 -2.060 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.388 5.866 -1.882 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.074 4.275 -2.147 1.00 0.00 H new ATOM 113 N PRO A 12 8.527 4.729 0.244 1.00 0.00 N ATOM 114 CA PRO A 12 8.067 4.382 1.592 1.00 0.00 C ATOM 115 C PRO A 12 8.322 2.917 1.932 1.00 0.00 C ATOM 116 O PRO A 12 8.454 2.077 1.041 1.00 0.00 O ATOM 117 CB PRO A 12 6.564 4.665 1.538 1.00 0.00 C ATOM 118 CG PRO A 12 6.204 4.530 0.099 1.00 0.00 C ATOM 119 CD PRO A 12 7.407 4.996 -0.674 1.00 0.00 C ATOM 0 HA PRO A 12 8.593 4.948 2.361 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.006 3.959 2.153 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.336 5.663 1.911 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.958 3.497 -0.147 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.328 5.132 -0.142 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.518 4.452 -1.612 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.338 6.054 -0.926 1.00 0.00 H new ATOM 127 N TYR A 13 8.388 2.617 3.224 1.00 0.00 N ATOM 128 CA TYR A 13 8.628 1.254 3.681 1.00 0.00 C ATOM 129 C TYR A 13 7.528 0.797 4.634 1.00 0.00 C ATOM 130 O TYR A 13 7.400 1.312 5.745 1.00 0.00 O ATOM 131 CB TYR A 13 9.989 1.158 4.372 1.00 0.00 C ATOM 132 CG TYR A 13 10.152 -0.085 5.218 1.00 0.00 C ATOM 133 CD1 TYR A 13 10.244 -1.341 4.631 1.00 0.00 C ATOM 134 CD2 TYR A 13 10.213 -0.003 6.604 1.00 0.00 C ATOM 135 CE1 TYR A 13 10.393 -2.479 5.400 1.00 0.00 C ATOM 136 CE2 TYR A 13 10.363 -1.136 7.380 1.00 0.00 C ATOM 137 CZ TYR A 13 10.452 -2.371 6.774 1.00 0.00 C ATOM 138 OH TYR A 13 10.600 -3.502 7.544 1.00 0.00 O ATOM 0 H TYR A 13 8.279 3.300 3.974 1.00 0.00 H new ATOM 0 HA TYR A 13 8.623 0.600 2.809 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.773 1.178 3.615 1.00 0.00 H new ATOM 0 HB3 TYR A 13 10.131 2.037 5.001 1.00 0.00 H new ATOM 0 HD1 TYR A 13 10.198 -1.429 3.556 1.00 0.00 H new ATOM 0 HD2 TYR A 13 10.142 0.963 7.082 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.463 -3.448 4.928 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.410 -1.055 8.456 1.00 0.00 H new ATOM 0 HH TYR A 13 10.625 -3.252 8.491 1.00 0.00 H new ATOM 148 N ILE A 14 6.736 -0.174 4.191 1.00 0.00 N ATOM 149 CA ILE A 14 5.648 -0.703 5.005 1.00 0.00 C ATOM 150 C ILE A 14 6.182 -1.400 6.251 1.00 0.00 C ATOM 151 O ILE A 14 6.934 -2.371 6.160 1.00 0.00 O ATOM 152 CB ILE A 14 4.780 -1.695 4.208 1.00 0.00 C ATOM 153 CG1 ILE A 14 4.302 -1.053 2.903 1.00 0.00 C ATOM 154 CG2 ILE A 14 3.595 -2.153 5.045 1.00 0.00 C ATOM 155 CD1 ILE A 14 3.900 -2.059 1.848 1.00 0.00 C ATOM 0 H ILE A 14 6.827 -0.610 3.273 1.00 0.00 H new ATOM 0 HA ILE A 14 5.034 0.147 5.302 1.00 0.00 H new ATOM 0 HB ILE A 14 5.384 -2.568 3.962 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.453 -0.403 3.116 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.096 -0.420 2.507 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.991 -2.854 4.468 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.956 -2.644 5.949 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.988 -1.290 5.319 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.572 -1.534 0.951 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.753 -2.693 1.606 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.085 -2.676 2.226 1.00 0.00 H new ATOM 167 N THR A 15 5.786 -0.899 7.418 1.00 0.00 N ATOM 168 CA THR A 15 6.224 -1.473 8.684 1.00 0.00 C ATOM 169 C THR A 15 5.033 -1.862 9.552 1.00 0.00 C ATOM 170 O THR A 15 5.171 -2.062 10.759 1.00 0.00 O ATOM 171 CB THR A 15 7.118 -0.493 9.466 1.00 0.00 C ATOM 172 OG1 THR A 15 6.312 0.339 10.309 1.00 0.00 O ATOM 173 CG2 THR A 15 7.930 0.375 8.517 1.00 0.00 C ATOM 0 H THR A 15 5.163 -0.097 7.512 1.00 0.00 H new ATOM 0 HA THR A 15 6.801 -2.366 8.444 1.00 0.00 H new ATOM 0 HB THR A 15 7.806 -1.075 10.080 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.888 0.958 10.804 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.553 1.059 9.093 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.564 -0.259 7.897 1.00 0.00 H new ATOM 0 HG23 THR A 15 7.255 0.948 7.881 1.00 0.00 H new ATOM 181 N PHE A 16 3.863 -1.967 8.931 1.00 0.00 N ATOM 182 CA PHE A 16 2.647 -2.332 9.648 1.00 0.00 C ATOM 183 C PHE A 16 1.581 -2.847 8.685 1.00 0.00 C ATOM 184 O PHE A 16 1.140 -2.129 7.786 1.00 0.00 O ATOM 185 CB PHE A 16 2.108 -1.129 10.426 1.00 0.00 C ATOM 186 CG PHE A 16 1.306 -1.509 11.638 1.00 0.00 C ATOM 187 CD1 PHE A 16 0.060 -2.100 11.502 1.00 0.00 C ATOM 188 CD2 PHE A 16 1.798 -1.277 12.912 1.00 0.00 C ATOM 189 CE1 PHE A 16 -0.681 -2.450 12.615 1.00 0.00 C ATOM 190 CE2 PHE A 16 1.062 -1.626 14.029 1.00 0.00 C ATOM 191 CZ PHE A 16 -0.179 -2.214 13.880 1.00 0.00 C ATOM 0 H PHE A 16 3.731 -1.804 7.933 1.00 0.00 H new ATOM 0 HA PHE A 16 2.894 -3.129 10.349 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.944 -0.502 10.736 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.487 -0.527 9.763 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.336 -2.289 10.515 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.768 -0.818 13.034 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.652 -2.908 12.496 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.457 -1.439 15.017 1.00 0.00 H new ATOM 0 HZ PHE A 16 -0.756 -2.489 14.751 1.00 0.00 H new ATOM 201 N THR A 17 1.171 -4.096 8.879 1.00 0.00 N ATOM 202 CA THR A 17 0.159 -4.709 8.028 1.00 0.00 C ATOM 203 C THR A 17 -0.774 -5.602 8.839 1.00 0.00 C ATOM 204 O THR A 17 -0.360 -6.640 9.357 1.00 0.00 O ATOM 205 CB THR A 17 0.801 -5.544 6.904 1.00 0.00 C ATOM 206 OG1 THR A 17 2.051 -6.083 7.347 1.00 0.00 O ATOM 207 CG2 THR A 17 1.021 -4.696 5.659 1.00 0.00 C ATOM 0 H THR A 17 1.524 -4.703 9.618 1.00 0.00 H new ATOM 0 HA THR A 17 -0.415 -3.896 7.584 1.00 0.00 H new ATOM 0 HB THR A 17 0.123 -6.360 6.654 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.219 -6.935 6.894 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.475 -5.306 4.879 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.064 -4.311 5.307 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.682 -3.863 5.898 1.00 0.00 H new ATOM 215 N ASP A 18 -2.033 -5.193 8.944 1.00 0.00 N ATOM 216 CA ASP A 18 -3.026 -5.958 9.690 1.00 0.00 C ATOM 217 C ASP A 18 -4.398 -5.854 9.033 1.00 0.00 C ATOM 218 O ASP A 18 -4.807 -4.780 8.593 1.00 0.00 O ATOM 219 CB ASP A 18 -3.100 -5.464 11.136 1.00 0.00 C ATOM 220 CG ASP A 18 -2.041 -6.095 12.018 1.00 0.00 C ATOM 221 OD1 ASP A 18 -1.553 -7.191 11.669 1.00 0.00 O ATOM 222 OD2 ASP A 18 -1.700 -5.494 13.058 1.00 0.00 O ATOM 0 H ASP A 18 -2.391 -4.336 8.522 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.720 -7.004 9.687 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.984 -4.380 11.153 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.087 -5.686 11.543 1.00 0.00 H new ATOM 227 N ALA A 19 -5.105 -6.978 8.969 1.00 0.00 N ATOM 228 CA ALA A 19 -6.431 -7.014 8.367 1.00 0.00 C ATOM 229 C ALA A 19 -7.484 -6.465 9.324 1.00 0.00 C ATOM 230 O ALA A 19 -7.707 -7.019 10.401 1.00 0.00 O ATOM 231 CB ALA A 19 -6.784 -8.434 7.949 1.00 0.00 C ATOM 0 H ALA A 19 -4.780 -7.876 9.327 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.417 -6.380 7.481 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.778 -8.445 7.501 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.054 -8.791 7.223 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.773 -9.084 8.824 1.00 0.00 H new ATOM 237 N VAL A 20 -8.128 -5.373 8.925 1.00 0.00 N ATOM 238 CA VAL A 20 -9.158 -4.750 9.748 1.00 0.00 C ATOM 239 C VAL A 20 -10.449 -5.560 9.720 1.00 0.00 C ATOM 240 O VAL A 20 -11.254 -5.498 10.649 1.00 0.00 O ATOM 241 CB VAL A 20 -9.456 -3.313 9.281 1.00 0.00 C ATOM 242 CG1 VAL A 20 -10.374 -2.610 10.269 1.00 0.00 C ATOM 243 CG2 VAL A 20 -8.162 -2.534 9.096 1.00 0.00 C ATOM 0 H VAL A 20 -7.955 -4.902 8.037 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.774 -4.721 10.768 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.966 -3.361 8.319 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.573 -1.596 9.922 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.313 -3.158 10.347 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.894 -2.571 11.247 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.391 -1.521 8.766 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.623 -2.494 10.043 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.544 -3.028 8.347 1.00 0.00 H new ATOM 253 N ASN A 21 -10.641 -6.320 8.646 1.00 0.00 N ATOM 254 CA ASN A 21 -11.835 -7.144 8.496 1.00 0.00 C ATOM 255 C ASN A 21 -11.644 -8.183 7.396 1.00 0.00 C ATOM 256 O ASN A 21 -10.562 -8.304 6.825 1.00 0.00 O ATOM 257 CB ASN A 21 -13.048 -6.266 8.179 1.00 0.00 C ATOM 258 CG ASN A 21 -13.742 -5.765 9.431 1.00 0.00 C ATOM 259 OD1 ASN A 21 -13.652 -6.381 10.493 1.00 0.00 O ATOM 260 ND2 ASN A 21 -14.440 -4.642 9.311 1.00 0.00 N ATOM 0 H ASN A 21 -9.985 -6.382 7.867 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.008 -7.666 9.437 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.729 -5.414 7.578 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.757 -6.834 7.577 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -14.929 -4.257 10.119 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -14.487 -4.165 8.411 1.00 0.00 H new ATOM 267 N GLU A 22 -12.705 -8.931 7.105 1.00 0.00 N ATOM 268 CA GLU A 22 -12.653 -9.960 6.074 1.00 0.00 C ATOM 269 C GLU A 22 -12.557 -9.335 4.685 1.00 0.00 C ATOM 270 O GLU A 22 -12.133 -9.983 3.728 1.00 0.00 O ATOM 271 CB GLU A 22 -13.889 -10.859 6.157 1.00 0.00 C ATOM 272 CG GLU A 22 -15.191 -10.090 6.302 1.00 0.00 C ATOM 273 CD GLU A 22 -15.559 -9.834 7.751 1.00 0.00 C ATOM 274 OE1 GLU A 22 -15.609 -10.808 8.532 1.00 0.00 O ATOM 275 OE2 GLU A 22 -15.796 -8.660 8.104 1.00 0.00 O ATOM 0 H GLU A 22 -13.609 -8.843 7.569 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.761 -10.564 6.244 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.940 -11.477 5.260 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.780 -11.535 7.005 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -15.106 -9.138 5.779 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.994 -10.648 5.820 1.00 0.00 H new ATOM 282 N THR A 23 -12.954 -8.071 4.583 1.00 0.00 N ATOM 283 CA THR A 23 -12.916 -7.357 3.313 1.00 0.00 C ATOM 284 C THR A 23 -12.194 -6.022 3.454 1.00 0.00 C ATOM 285 O THR A 23 -12.300 -5.152 2.589 1.00 0.00 O ATOM 286 CB THR A 23 -14.334 -7.107 2.766 1.00 0.00 C ATOM 287 OG1 THR A 23 -15.149 -6.502 3.776 1.00 0.00 O ATOM 288 CG2 THR A 23 -14.972 -8.407 2.302 1.00 0.00 C ATOM 0 H THR A 23 -13.306 -7.520 5.366 1.00 0.00 H new ATOM 0 HA THR A 23 -12.371 -7.989 2.612 1.00 0.00 H new ATOM 0 HB THR A 23 -14.257 -6.434 1.912 1.00 0.00 H new ATOM 0 HG1 THR A 23 -16.048 -6.345 3.420 1.00 0.00 H new ATOM 0 HG21 THR A 23 -15.973 -8.205 1.920 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.364 -8.849 1.512 1.00 0.00 H new ATOM 0 HG23 THR A 23 -15.037 -9.100 3.141 1.00 0.00 H new ATOM 296 N THR A 24 -11.460 -5.864 4.551 1.00 0.00 N ATOM 297 CA THR A 24 -10.721 -4.634 4.806 1.00 0.00 C ATOM 298 C THR A 24 -9.319 -4.932 5.324 1.00 0.00 C ATOM 299 O THR A 24 -9.090 -5.955 5.970 1.00 0.00 O ATOM 300 CB THR A 24 -11.453 -3.740 5.825 1.00 0.00 C ATOM 301 OG1 THR A 24 -12.870 -3.865 5.657 1.00 0.00 O ATOM 302 CG2 THR A 24 -11.044 -2.284 5.659 1.00 0.00 C ATOM 0 H THR A 24 -11.362 -6.573 5.277 1.00 0.00 H new ATOM 0 HA THR A 24 -10.649 -4.106 3.855 1.00 0.00 H new ATOM 0 HB THR A 24 -11.176 -4.067 6.827 1.00 0.00 H new ATOM 0 HG1 THR A 24 -13.328 -3.295 6.309 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.574 -1.672 6.389 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.970 -2.188 5.816 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.295 -1.948 4.653 1.00 0.00 H new ATOM 310 N ILE A 25 -8.384 -4.033 5.037 1.00 0.00 N ATOM 311 CA ILE A 25 -7.004 -4.199 5.476 1.00 0.00 C ATOM 312 C ILE A 25 -6.344 -2.850 5.742 1.00 0.00 C ATOM 313 O ILE A 25 -6.399 -1.947 4.908 1.00 0.00 O ATOM 314 CB ILE A 25 -6.171 -4.969 4.435 1.00 0.00 C ATOM 315 CG1 ILE A 25 -6.530 -6.456 4.460 1.00 0.00 C ATOM 316 CG2 ILE A 25 -4.685 -4.773 4.695 1.00 0.00 C ATOM 317 CD1 ILE A 25 -5.762 -7.281 3.451 1.00 0.00 C ATOM 0 H ILE A 25 -8.557 -3.182 4.502 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.035 -4.774 6.402 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.402 -4.576 3.445 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.341 -6.850 5.459 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.598 -6.567 4.270 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -4.110 -5.324 3.951 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.441 -3.713 4.631 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.438 -5.142 5.690 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.068 -8.324 3.526 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -5.970 -6.913 2.446 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.694 -7.201 3.653 1.00 0.00 H new ATOM 329 N MET A 26 -5.720 -2.722 6.908 1.00 0.00 N ATOM 330 CA MET A 26 -5.046 -1.484 7.282 1.00 0.00 C ATOM 331 C MET A 26 -3.531 -1.658 7.251 1.00 0.00 C ATOM 332 O MET A 26 -2.991 -2.593 7.844 1.00 0.00 O ATOM 333 CB MET A 26 -5.491 -1.038 8.676 1.00 0.00 C ATOM 334 CG MET A 26 -4.473 -0.162 9.388 1.00 0.00 C ATOM 335 SD MET A 26 -5.210 0.840 10.693 1.00 0.00 S ATOM 336 CE MET A 26 -4.877 2.490 10.082 1.00 0.00 C ATOM 0 H MET A 26 -5.667 -3.460 7.610 1.00 0.00 H new ATOM 0 HA MET A 26 -5.320 -0.717 6.557 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.431 -0.493 8.591 1.00 0.00 H new ATOM 0 HB3 MET A 26 -5.688 -1.920 9.285 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.693 -0.792 9.816 1.00 0.00 H new ATOM 0 HG3 MET A 26 -3.991 0.492 8.661 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.166 2.986 10.742 1.00 0.00 H new ATOM 0 HE2 MET A 26 -4.458 2.428 9.078 1.00 0.00 H new ATOM 0 HE3 MET A 26 -5.805 3.061 10.053 1.00 0.00 H new ATOM 346 N LEU A 27 -2.851 -0.754 6.556 1.00 0.00 N ATOM 347 CA LEU A 27 -1.397 -0.808 6.447 1.00 0.00 C ATOM 348 C LEU A 27 -0.783 0.572 6.663 1.00 0.00 C ATOM 349 O LEU A 27 -1.363 1.589 6.281 1.00 0.00 O ATOM 350 CB LEU A 27 -0.988 -1.351 5.077 1.00 0.00 C ATOM 351 CG LEU A 27 -0.954 -0.335 3.934 1.00 0.00 C ATOM 352 CD1 LEU A 27 -0.060 -0.829 2.808 1.00 0.00 C ATOM 353 CD2 LEU A 27 -2.360 -0.063 3.421 1.00 0.00 C ATOM 0 H LEU A 27 -3.282 0.025 6.059 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.024 -1.477 7.222 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.001 -1.800 5.167 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.677 -2.151 4.805 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.541 0.599 4.315 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.048 -0.093 2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.953 -0.972 3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.443 -1.776 2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.317 0.662 2.608 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.800 -0.991 3.056 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.972 0.335 4.230 1.00 0.00 H new ATOM 365 N LYS A 28 0.395 0.600 7.276 1.00 0.00 N ATOM 366 CA LYS A 28 1.091 1.854 7.541 1.00 0.00 C ATOM 367 C LYS A 28 2.515 1.811 6.997 1.00 0.00 C ATOM 368 O LYS A 28 3.183 0.779 7.061 1.00 0.00 O ATOM 369 CB LYS A 28 1.116 2.140 9.044 1.00 0.00 C ATOM 370 CG LYS A 28 -0.248 2.041 9.705 1.00 0.00 C ATOM 371 CD LYS A 28 -0.129 1.708 11.182 1.00 0.00 C ATOM 372 CE LYS A 28 -1.373 2.129 11.951 1.00 0.00 C ATOM 373 NZ LYS A 28 -1.439 3.606 12.130 1.00 0.00 N ATOM 0 H LYS A 28 0.889 -0.232 7.599 1.00 0.00 H new ATOM 0 HA LYS A 28 0.551 2.654 7.034 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.796 1.439 9.527 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.518 3.140 9.208 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.780 2.985 9.586 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.841 1.275 9.205 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.029 0.636 11.303 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.745 2.208 11.600 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.262 1.787 11.420 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.378 1.644 12.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.155 3.837 12.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.512 3.960 12.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.696 4.054 11.227 1.00 0.00 H new ATOM 387 N TRP A 29 2.974 2.938 6.465 1.00 0.00 N ATOM 388 CA TRP A 29 4.321 3.028 5.911 1.00 0.00 C ATOM 389 C TRP A 29 5.128 4.111 6.618 1.00 0.00 C ATOM 390 O TRP A 29 4.567 5.062 7.161 1.00 0.00 O ATOM 391 CB TRP A 29 4.260 3.318 4.411 1.00 0.00 C ATOM 392 CG TRP A 29 3.383 4.484 4.067 1.00 0.00 C ATOM 393 CD1 TRP A 29 3.754 5.797 3.999 1.00 0.00 C ATOM 394 CD2 TRP A 29 1.988 4.442 3.745 1.00 0.00 C ATOM 395 NE1 TRP A 29 2.674 6.574 3.655 1.00 0.00 N ATOM 396 CE2 TRP A 29 1.579 5.767 3.493 1.00 0.00 C ATOM 397 CE3 TRP A 29 1.046 3.416 3.644 1.00 0.00 C ATOM 398 CZ2 TRP A 29 0.269 6.088 3.147 1.00 0.00 C ATOM 399 CZ3 TRP A 29 -0.254 3.736 3.301 1.00 0.00 C ATOM 400 CH2 TRP A 29 -0.632 5.062 3.055 1.00 0.00 C ATOM 0 H TRP A 29 2.434 3.802 6.405 1.00 0.00 H new ATOM 0 HA TRP A 29 4.816 2.070 6.068 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.268 3.510 4.044 1.00 0.00 H new ATOM 0 HB3 TRP A 29 3.895 2.432 3.891 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.750 6.170 4.188 1.00 0.00 H new ATOM 0 HE1 TRP A 29 2.686 7.587 3.539 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.328 2.390 3.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.025 7.110 2.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.991 2.950 3.221 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.655 5.279 2.787 1.00 0.00 H new ATOM 411 N MET A 30 6.449 3.960 6.608 1.00 0.00 N ATOM 412 CA MET A 30 7.333 4.928 7.248 1.00 0.00 C ATOM 413 C MET A 30 8.153 5.685 6.209 1.00 0.00 C ATOM 414 O MET A 30 8.486 5.145 5.153 1.00 0.00 O ATOM 415 CB MET A 30 8.265 4.224 8.236 1.00 0.00 C ATOM 416 CG MET A 30 9.568 3.752 7.612 1.00 0.00 C ATOM 417 SD MET A 30 10.721 3.088 8.829 1.00 0.00 S ATOM 418 CE MET A 30 11.698 4.543 9.198 1.00 0.00 C ATOM 0 H MET A 30 6.930 3.178 6.164 1.00 0.00 H new ATOM 0 HA MET A 30 6.715 5.644 7.790 1.00 0.00 H new ATOM 0 HB2 MET A 30 8.491 4.904 9.058 1.00 0.00 H new ATOM 0 HB3 MET A 30 7.746 3.367 8.665 1.00 0.00 H new ATOM 0 HG2 MET A 30 9.353 2.987 6.866 1.00 0.00 H new ATOM 0 HG3 MET A 30 10.038 4.584 7.088 1.00 0.00 H new ATOM 0 HE1 MET A 30 12.729 4.377 8.887 1.00 0.00 H new ATOM 0 HE2 MET A 30 11.291 5.400 8.662 1.00 0.00 H new ATOM 0 HE3 MET A 30 11.669 4.738 10.270 1.00 0.00 H new ATOM 428 N TYR A 31 8.476 6.937 6.514 1.00 0.00 N ATOM 429 CA TYR A 31 9.255 7.769 5.604 1.00 0.00 C ATOM 430 C TYR A 31 10.617 8.104 6.204 1.00 0.00 C ATOM 431 O TYR A 31 10.709 8.576 7.338 1.00 0.00 O ATOM 432 CB TYR A 31 8.497 9.058 5.282 1.00 0.00 C ATOM 433 CG TYR A 31 9.112 9.857 4.156 1.00 0.00 C ATOM 434 CD1 TYR A 31 8.942 9.474 2.832 1.00 0.00 C ATOM 435 CD2 TYR A 31 9.865 10.996 4.417 1.00 0.00 C ATOM 436 CE1 TYR A 31 9.504 10.201 1.800 1.00 0.00 C ATOM 437 CE2 TYR A 31 10.429 11.730 3.392 1.00 0.00 C ATOM 438 CZ TYR A 31 10.246 11.328 2.085 1.00 0.00 C ATOM 439 OH TYR A 31 10.807 12.056 1.061 1.00 0.00 O ATOM 0 H TYR A 31 8.211 7.398 7.384 1.00 0.00 H new ATOM 0 HA TYR A 31 9.411 7.207 4.683 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.469 8.809 5.020 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.457 9.679 6.177 1.00 0.00 H new ATOM 0 HD1 TYR A 31 8.360 8.593 2.605 1.00 0.00 H new ATOM 0 HD2 TYR A 31 10.012 11.312 5.439 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.363 9.888 0.776 1.00 0.00 H new ATOM 0 HE2 TYR A 31 11.010 12.613 3.612 1.00 0.00 H new ATOM 0 HH TYR A 31 11.144 11.446 0.372 1.00 0.00 H new ATOM 449 N ILE A 32 11.672 7.856 5.435 1.00 0.00 N ATOM 450 CA ILE A 32 13.029 8.133 5.889 1.00 0.00 C ATOM 451 C ILE A 32 13.590 9.381 5.216 1.00 0.00 C ATOM 452 O ILE A 32 14.032 9.351 4.067 1.00 0.00 O ATOM 453 CB ILE A 32 13.969 6.945 5.608 1.00 0.00 C ATOM 454 CG1 ILE A 32 13.464 5.688 6.319 1.00 0.00 C ATOM 455 CG2 ILE A 32 15.387 7.277 6.049 1.00 0.00 C ATOM 456 CD1 ILE A 32 12.464 4.896 5.508 1.00 0.00 C ATOM 0 H ILE A 32 11.613 7.464 4.495 1.00 0.00 H new ATOM 0 HA ILE A 32 12.975 8.297 6.965 1.00 0.00 H new ATOM 0 HB ILE A 32 13.979 6.753 4.535 1.00 0.00 H new ATOM 0 HG12 ILE A 32 14.314 5.049 6.557 1.00 0.00 H new ATOM 0 HG13 ILE A 32 13.006 5.975 7.266 1.00 0.00 H new ATOM 0 HG21 ILE A 32 16.040 6.428 5.844 1.00 0.00 H new ATOM 0 HG22 ILE A 32 15.743 8.149 5.501 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.395 7.491 7.118 1.00 0.00 H new ATOM 0 HD11 ILE A 32 12.150 4.019 6.074 1.00 0.00 H new ATOM 0 HD12 ILE A 32 11.596 5.519 5.292 1.00 0.00 H new ATOM 0 HD13 ILE A 32 12.924 4.578 4.573 1.00 0.00 H new ATOM 468 N PRO A 33 13.576 10.505 5.947 1.00 0.00 N ATOM 469 CA PRO A 33 14.082 11.785 5.442 1.00 0.00 C ATOM 470 C PRO A 33 15.599 11.788 5.289 1.00 0.00 C ATOM 471 O PRO A 33 16.167 12.686 4.668 1.00 0.00 O ATOM 472 CB PRO A 33 13.651 12.785 6.518 1.00 0.00 C ATOM 473 CG PRO A 33 13.527 11.975 7.761 1.00 0.00 C ATOM 474 CD PRO A 33 13.064 10.613 7.324 1.00 0.00 C ATOM 0 HA PRO A 33 13.696 12.014 4.449 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.386 13.581 6.636 1.00 0.00 H new ATOM 0 HB3 PRO A 33 12.705 13.261 6.260 1.00 0.00 H new ATOM 0 HG2 PRO A 33 14.482 11.913 8.283 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.814 12.426 8.451 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.465 9.827 7.965 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.978 10.528 7.357 1.00 0.00 H new ATOM 482 N ALA A 34 16.249 10.778 5.858 1.00 0.00 N ATOM 483 CA ALA A 34 17.700 10.664 5.781 1.00 0.00 C ATOM 484 C ALA A 34 18.170 10.601 4.332 1.00 0.00 C ATOM 485 O ALA A 34 18.839 11.513 3.846 1.00 0.00 O ATOM 486 CB ALA A 34 18.174 9.437 6.546 1.00 0.00 C ATOM 0 H ALA A 34 15.794 10.027 6.377 1.00 0.00 H new ATOM 0 HA ALA A 34 18.134 11.553 6.237 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.260 9.364 6.480 1.00 0.00 H new ATOM 0 HB2 ALA A 34 17.879 9.524 7.592 1.00 0.00 H new ATOM 0 HB3 ALA A 34 17.724 8.543 6.115 1.00 0.00 H new ATOM 492 N SER A 35 17.817 9.518 3.647 1.00 0.00 N ATOM 493 CA SER A 35 18.207 9.335 2.254 1.00 0.00 C ATOM 494 C SER A 35 17.162 9.928 1.314 1.00 0.00 C ATOM 495 O SER A 35 16.854 9.356 0.269 1.00 0.00 O ATOM 496 CB SER A 35 18.399 7.848 1.948 1.00 0.00 C ATOM 497 OG SER A 35 18.827 7.654 0.611 1.00 0.00 O ATOM 0 H SER A 35 17.262 8.755 4.034 1.00 0.00 H new ATOM 0 HA SER A 35 19.151 9.857 2.095 1.00 0.00 H new ATOM 0 HB2 SER A 35 19.133 7.424 2.633 1.00 0.00 H new ATOM 0 HB3 SER A 35 17.463 7.315 2.114 1.00 0.00 H new ATOM 0 HG SER A 35 18.294 8.217 0.012 1.00 0.00 H new ATOM 503 N ASN A 36 16.619 11.080 1.694 1.00 0.00 N ATOM 504 CA ASN A 36 15.608 11.752 0.887 1.00 0.00 C ATOM 505 C ASN A 36 16.161 13.039 0.282 1.00 0.00 C ATOM 506 O ASN A 36 17.082 13.646 0.826 1.00 0.00 O ATOM 507 CB ASN A 36 14.373 12.064 1.735 1.00 0.00 C ATOM 508 CG ASN A 36 13.308 12.809 0.953 1.00 0.00 C ATOM 509 OD1 ASN A 36 13.083 12.536 -0.226 1.00 0.00 O ATOM 510 ND2 ASN A 36 12.647 13.756 1.608 1.00 0.00 N ATOM 0 H ASN A 36 16.863 11.568 2.556 1.00 0.00 H new ATOM 0 HA ASN A 36 15.324 11.083 0.075 1.00 0.00 H new ATOM 0 HB2 ASN A 36 13.954 11.133 2.118 1.00 0.00 H new ATOM 0 HB3 ASN A 36 14.669 12.660 2.598 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.919 14.291 1.134 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.867 13.949 2.585 1.00 0.00 H new ATOM 517 N ASN A 37 15.592 13.449 -0.847 1.00 0.00 N ATOM 518 CA ASN A 37 16.028 14.663 -1.526 1.00 0.00 C ATOM 519 C ASN A 37 15.220 15.869 -1.055 1.00 0.00 C ATOM 520 O ASN A 37 14.962 16.794 -1.824 1.00 0.00 O ATOM 521 CB ASN A 37 15.890 14.503 -3.041 1.00 0.00 C ATOM 522 CG ASN A 37 16.940 13.576 -3.622 1.00 0.00 C ATOM 523 OD1 ASN A 37 18.140 13.808 -3.472 1.00 0.00 O ATOM 524 ND2 ASN A 37 16.493 12.519 -4.290 1.00 0.00 N ATOM 0 H ASN A 37 14.828 12.958 -1.311 1.00 0.00 H new ATOM 0 HA ASN A 37 17.076 14.831 -1.280 1.00 0.00 H new ATOM 0 HB2 ASN A 37 14.898 14.116 -3.274 1.00 0.00 H new ATOM 0 HB3 ASN A 37 15.970 15.481 -3.516 1.00 0.00 H new ATOM 0 HD21 ASN A 37 17.153 11.860 -4.703 1.00 0.00 H new ATOM 0 HD22 ASN A 37 15.490 12.366 -4.390 1.00 0.00 H new ATOM 531 N ASN A 38 14.824 15.851 0.213 1.00 0.00 N ATOM 532 CA ASN A 38 14.046 16.943 0.787 1.00 0.00 C ATOM 533 C ASN A 38 13.054 17.497 -0.232 1.00 0.00 C ATOM 534 O ASN A 38 12.866 18.710 -0.337 1.00 0.00 O ATOM 535 CB ASN A 38 14.973 18.059 1.271 1.00 0.00 C ATOM 536 CG ASN A 38 14.264 19.049 2.175 1.00 0.00 C ATOM 537 OD1 ASN A 38 13.345 18.688 2.910 1.00 0.00 O ATOM 538 ND2 ASN A 38 14.689 20.306 2.124 1.00 0.00 N ATOM 0 H ASN A 38 15.029 15.092 0.863 1.00 0.00 H new ATOM 0 HA ASN A 38 13.487 16.551 1.637 1.00 0.00 H new ATOM 0 HB2 ASN A 38 15.815 17.621 1.806 1.00 0.00 H new ATOM 0 HB3 ASN A 38 15.382 18.587 0.410 1.00 0.00 H new ATOM 0 HD21 ASN A 38 14.250 21.017 2.709 1.00 0.00 H new ATOM 0 HD22 ASN A 38 15.454 20.561 1.500 1.00 0.00 H new ATOM 545 N THR A 39 12.420 16.600 -0.981 1.00 0.00 N ATOM 546 CA THR A 39 11.447 16.998 -1.991 1.00 0.00 C ATOM 547 C THR A 39 10.024 16.711 -1.527 1.00 0.00 C ATOM 548 O THR A 39 9.742 15.686 -0.906 1.00 0.00 O ATOM 549 CB THR A 39 11.696 16.273 -3.327 1.00 0.00 C ATOM 550 OG1 THR A 39 10.924 16.884 -4.367 1.00 0.00 O ATOM 551 CG2 THR A 39 11.334 14.799 -3.218 1.00 0.00 C ATOM 0 H THR A 39 12.563 15.593 -0.907 1.00 0.00 H new ATOM 0 HA THR A 39 11.567 18.071 -2.141 1.00 0.00 H new ATOM 0 HB THR A 39 12.756 16.354 -3.567 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.308 16.652 -5.238 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.518 14.308 -4.173 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.944 14.331 -2.446 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.280 14.701 -2.957 1.00 0.00 H new ATOM 559 N PRO A 40 9.102 17.636 -1.835 1.00 0.00 N ATOM 560 CA PRO A 40 7.692 17.503 -1.460 1.00 0.00 C ATOM 561 C PRO A 40 6.986 16.399 -2.240 1.00 0.00 C ATOM 562 O PRO A 40 7.097 16.322 -3.464 1.00 0.00 O ATOM 563 CB PRO A 40 7.100 18.870 -1.815 1.00 0.00 C ATOM 564 CG PRO A 40 7.990 19.402 -2.885 1.00 0.00 C ATOM 565 CD PRO A 40 9.367 18.882 -2.574 1.00 0.00 C ATOM 0 HA PRO A 40 7.574 17.231 -0.411 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.072 18.777 -2.165 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.083 19.531 -0.949 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.660 19.069 -3.869 1.00 0.00 H new ATOM 0 HG3 PRO A 40 7.978 20.492 -2.897 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.941 18.696 -3.482 1.00 0.00 H new ATOM 0 HD3 PRO A 40 9.938 19.591 -1.975 1.00 0.00 H new ATOM 573 N ILE A 41 6.261 15.546 -1.524 1.00 0.00 N ATOM 574 CA ILE A 41 5.536 14.447 -2.150 1.00 0.00 C ATOM 575 C ILE A 41 4.078 14.818 -2.393 1.00 0.00 C ATOM 576 O ILE A 41 3.421 15.398 -1.528 1.00 0.00 O ATOM 577 CB ILE A 41 5.593 13.172 -1.288 1.00 0.00 C ATOM 578 CG1 ILE A 41 7.027 12.907 -0.823 1.00 0.00 C ATOM 579 CG2 ILE A 41 5.055 11.981 -2.067 1.00 0.00 C ATOM 580 CD1 ILE A 41 7.175 11.640 -0.011 1.00 0.00 C ATOM 0 H ILE A 41 6.160 15.595 -0.510 1.00 0.00 H new ATOM 0 HA ILE A 41 6.023 14.252 -3.106 1.00 0.00 H new ATOM 0 HB ILE A 41 4.967 13.319 -0.408 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.678 12.848 -1.695 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.369 13.753 -0.227 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.102 11.088 -1.444 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.020 12.170 -2.352 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.657 11.831 -2.963 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.217 11.517 0.284 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.551 11.704 0.880 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.864 10.785 -0.611 1.00 0.00 H new ATOM 592 N HIS A 42 3.575 14.478 -3.576 1.00 0.00 N ATOM 593 CA HIS A 42 2.192 14.773 -3.932 1.00 0.00 C ATOM 594 C HIS A 42 1.225 13.959 -3.079 1.00 0.00 C ATOM 595 O HIS A 42 0.209 14.472 -2.613 1.00 0.00 O ATOM 596 CB HIS A 42 1.952 14.483 -5.414 1.00 0.00 C ATOM 597 CG HIS A 42 2.331 15.616 -6.316 1.00 0.00 C ATOM 598 ND1 HIS A 42 2.632 15.448 -7.651 1.00 0.00 N ATOM 599 CD2 HIS A 42 2.456 16.941 -6.068 1.00 0.00 C ATOM 600 CE1 HIS A 42 2.927 16.620 -8.185 1.00 0.00 C ATOM 601 NE2 HIS A 42 2.827 17.543 -7.246 1.00 0.00 N ATOM 0 H HIS A 42 4.105 13.998 -4.304 1.00 0.00 H new ATOM 0 HA HIS A 42 2.012 15.831 -3.743 1.00 0.00 H new ATOM 0 HB2 HIS A 42 2.520 13.597 -5.699 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.898 14.248 -5.563 1.00 0.00 H new ATOM 0 HD2 HIS A 42 2.294 17.433 -5.120 1.00 0.00 H new ATOM 0 HE1 HIS A 42 3.203 16.794 -9.215 1.00 0.00 H new ATOM 0 HE2 HIS A 42 2.997 18.540 -7.374 1.00 0.00 H new ATOM 610 N GLY A 43 1.549 12.684 -2.879 1.00 0.00 N ATOM 611 CA GLY A 43 0.698 11.819 -2.082 1.00 0.00 C ATOM 612 C GLY A 43 1.307 10.448 -1.865 1.00 0.00 C ATOM 613 O GLY A 43 2.526 10.312 -1.760 1.00 0.00 O ATOM 0 H GLY A 43 2.385 12.236 -3.254 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.512 12.288 -1.116 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.268 11.710 -2.575 1.00 0.00 H new ATOM 617 N PHE A 44 0.457 9.429 -1.795 1.00 0.00 N ATOM 618 CA PHE A 44 0.918 8.062 -1.585 1.00 0.00 C ATOM 619 C PHE A 44 0.045 7.070 -2.349 1.00 0.00 C ATOM 620 O PHE A 44 -1.164 6.993 -2.129 1.00 0.00 O ATOM 621 CB PHE A 44 0.911 7.722 -0.094 1.00 0.00 C ATOM 622 CG PHE A 44 2.105 8.252 0.648 1.00 0.00 C ATOM 623 CD1 PHE A 44 3.390 7.940 0.234 1.00 0.00 C ATOM 624 CD2 PHE A 44 1.942 9.064 1.759 1.00 0.00 C ATOM 625 CE1 PHE A 44 4.490 8.426 0.915 1.00 0.00 C ATOM 626 CE2 PHE A 44 3.038 9.554 2.444 1.00 0.00 C ATOM 627 CZ PHE A 44 4.314 9.236 2.020 1.00 0.00 C ATOM 0 H PHE A 44 -0.555 9.524 -1.881 1.00 0.00 H new ATOM 0 HA PHE A 44 1.938 7.987 -1.962 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.004 8.125 0.358 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.872 6.639 0.023 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.534 7.310 -0.631 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.947 9.317 2.094 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.486 8.173 0.584 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.897 10.185 3.309 1.00 0.00 H new ATOM 0 HZ PHE A 44 5.172 9.620 2.552 1.00 0.00 H new ATOM 637 N TYR A 45 0.667 6.314 -3.247 1.00 0.00 N ATOM 638 CA TYR A 45 -0.053 5.329 -4.045 1.00 0.00 C ATOM 639 C TYR A 45 0.073 3.936 -3.436 1.00 0.00 C ATOM 640 O TYR A 45 1.136 3.556 -2.944 1.00 0.00 O ATOM 641 CB TYR A 45 0.476 5.320 -5.480 1.00 0.00 C ATOM 642 CG TYR A 45 -0.179 6.349 -6.374 1.00 0.00 C ATOM 643 CD1 TYR A 45 -1.562 6.475 -6.423 1.00 0.00 C ATOM 644 CD2 TYR A 45 0.585 7.195 -7.168 1.00 0.00 C ATOM 645 CE1 TYR A 45 -2.165 7.413 -7.239 1.00 0.00 C ATOM 646 CE2 TYR A 45 -0.009 8.137 -7.986 1.00 0.00 C ATOM 647 CZ TYR A 45 -1.384 8.241 -8.018 1.00 0.00 C ATOM 648 OH TYR A 45 -1.981 9.178 -8.831 1.00 0.00 O ATOM 0 H TYR A 45 1.667 6.364 -3.440 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.107 5.607 -4.055 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.551 5.498 -5.463 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.323 4.329 -5.908 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.176 5.829 -5.813 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.662 7.115 -7.146 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.241 7.497 -7.267 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.600 8.788 -8.596 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.291 9.681 -9.312 1.00 0.00 H new ATOM 658 N ILE A 46 -1.019 3.180 -3.473 1.00 0.00 N ATOM 659 CA ILE A 46 -1.031 1.829 -2.927 1.00 0.00 C ATOM 660 C ILE A 46 -1.570 0.829 -3.945 1.00 0.00 C ATOM 661 O ILE A 46 -2.663 1.005 -4.485 1.00 0.00 O ATOM 662 CB ILE A 46 -1.880 1.747 -1.645 1.00 0.00 C ATOM 663 CG1 ILE A 46 -1.310 2.674 -0.569 1.00 0.00 C ATOM 664 CG2 ILE A 46 -1.940 0.314 -1.139 1.00 0.00 C ATOM 665 CD1 ILE A 46 -2.347 3.168 0.415 1.00 0.00 C ATOM 0 H ILE A 46 -1.907 3.480 -3.875 1.00 0.00 H new ATOM 0 HA ILE A 46 0.002 1.578 -2.686 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.894 2.072 -1.878 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.527 2.147 -0.025 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.841 3.532 -1.051 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.544 0.273 -0.232 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.388 -0.323 -1.902 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.932 -0.037 -0.919 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.872 3.819 1.148 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.119 3.724 -0.118 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.799 2.317 0.925 1.00 0.00 H new ATOM 677 N TYR A 47 -0.798 -0.221 -4.200 1.00 0.00 N ATOM 678 CA TYR A 47 -1.197 -1.249 -5.154 1.00 0.00 C ATOM 679 C TYR A 47 -1.497 -2.565 -4.442 1.00 0.00 C ATOM 680 O TYR A 47 -0.891 -2.882 -3.418 1.00 0.00 O ATOM 681 CB TYR A 47 -0.099 -1.460 -6.198 1.00 0.00 C ATOM 682 CG TYR A 47 0.224 -0.218 -6.996 1.00 0.00 C ATOM 683 CD1 TYR A 47 0.772 0.902 -6.384 1.00 0.00 C ATOM 684 CD2 TYR A 47 -0.018 -0.165 -8.364 1.00 0.00 C ATOM 685 CE1 TYR A 47 1.068 2.040 -7.110 1.00 0.00 C ATOM 686 CE2 TYR A 47 0.276 0.968 -9.098 1.00 0.00 C ATOM 687 CZ TYR A 47 0.819 2.068 -8.466 1.00 0.00 C ATOM 688 OH TYR A 47 1.113 3.199 -9.193 1.00 0.00 O ATOM 0 H TYR A 47 0.108 -0.383 -3.760 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.105 -0.912 -5.655 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.805 -1.805 -5.697 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.407 -2.251 -6.882 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.970 0.883 -5.323 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.443 -1.024 -8.861 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.492 2.903 -6.618 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.082 0.993 -10.160 1.00 0.00 H new ATOM 0 HH TYR A 47 1.108 2.984 -10.149 1.00 0.00 H new ATOM 698 N TYR A 48 -2.436 -3.326 -4.992 1.00 0.00 N ATOM 699 CA TYR A 48 -2.820 -4.607 -4.410 1.00 0.00 C ATOM 700 C TYR A 48 -3.495 -5.497 -5.449 1.00 0.00 C ATOM 701 O TYR A 48 -4.177 -5.010 -6.352 1.00 0.00 O ATOM 702 CB TYR A 48 -3.757 -4.391 -3.221 1.00 0.00 C ATOM 703 CG TYR A 48 -4.908 -3.457 -3.519 1.00 0.00 C ATOM 704 CD1 TYR A 48 -4.739 -2.079 -3.481 1.00 0.00 C ATOM 705 CD2 TYR A 48 -6.166 -3.954 -3.840 1.00 0.00 C ATOM 706 CE1 TYR A 48 -5.788 -1.223 -3.752 1.00 0.00 C ATOM 707 CE2 TYR A 48 -7.220 -3.105 -4.114 1.00 0.00 C ATOM 708 CZ TYR A 48 -7.027 -1.741 -4.068 1.00 0.00 C ATOM 709 OH TYR A 48 -8.075 -0.891 -4.340 1.00 0.00 O ATOM 0 H TYR A 48 -2.946 -3.078 -5.840 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.915 -5.106 -4.064 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -4.155 -5.355 -2.903 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -3.183 -3.992 -2.385 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.770 -1.670 -3.235 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.322 -5.022 -3.876 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -5.639 -0.154 -3.717 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.191 -3.508 -4.363 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.950 -0.051 -3.851 1.00 0.00 H new ATOM 719 N ARG A 49 -3.302 -6.805 -5.314 1.00 0.00 N ATOM 720 CA ARG A 49 -3.891 -7.764 -6.240 1.00 0.00 C ATOM 721 C ARG A 49 -3.982 -9.148 -5.605 1.00 0.00 C ATOM 722 O ARG A 49 -3.099 -9.576 -4.862 1.00 0.00 O ATOM 723 CB ARG A 49 -3.068 -7.835 -7.528 1.00 0.00 C ATOM 724 CG ARG A 49 -1.691 -8.449 -7.336 1.00 0.00 C ATOM 725 CD ARG A 49 -1.723 -9.958 -7.522 1.00 0.00 C ATOM 726 NE ARG A 49 -0.689 -10.629 -6.739 1.00 0.00 N ATOM 727 CZ ARG A 49 -0.294 -11.877 -6.959 1.00 0.00 C ATOM 728 NH1 ARG A 49 -0.843 -12.588 -7.935 1.00 0.00 N ATOM 729 NH2 ARG A 49 0.653 -12.418 -6.203 1.00 0.00 N ATOM 0 H ARG A 49 -2.742 -7.225 -4.572 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.899 -7.426 -6.480 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.616 -8.417 -8.268 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.955 -6.829 -7.933 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.993 -8.008 -8.047 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.322 -8.212 -6.338 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.702 -10.338 -7.231 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.590 -10.196 -8.577 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.246 -10.110 -5.981 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.571 -12.176 -8.519 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.537 -13.547 -8.102 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.078 -11.875 -5.452 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.956 -13.377 -6.373 1.00 0.00 H new ATOM 743 N PRO A 50 -5.076 -9.866 -5.903 1.00 0.00 N ATOM 744 CA PRO A 50 -5.308 -11.212 -5.371 1.00 0.00 C ATOM 745 C PRO A 50 -4.351 -12.242 -5.962 1.00 0.00 C ATOM 746 O PRO A 50 -3.942 -12.133 -7.119 1.00 0.00 O ATOM 747 CB PRO A 50 -6.748 -11.516 -5.792 1.00 0.00 C ATOM 748 CG PRO A 50 -6.978 -10.668 -6.995 1.00 0.00 C ATOM 749 CD PRO A 50 -6.169 -9.419 -6.781 1.00 0.00 C ATOM 0 HA PRO A 50 -5.145 -11.259 -4.294 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -6.878 -12.573 -6.022 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.453 -11.274 -4.996 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -6.666 -11.185 -7.902 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.036 -10.433 -7.110 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -5.791 -9.019 -7.722 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.762 -8.631 -6.316 1.00 0.00 H new ATOM 757 N THR A 51 -3.997 -13.243 -5.162 1.00 0.00 N ATOM 758 CA THR A 51 -3.088 -14.292 -5.606 1.00 0.00 C ATOM 759 C THR A 51 -3.619 -14.986 -6.855 1.00 0.00 C ATOM 760 O THR A 51 -2.857 -15.588 -7.613 1.00 0.00 O ATOM 761 CB THR A 51 -2.864 -15.344 -4.504 1.00 0.00 C ATOM 762 OG1 THR A 51 -1.566 -15.934 -4.647 1.00 0.00 O ATOM 763 CG2 THR A 51 -3.928 -16.429 -4.566 1.00 0.00 C ATOM 0 H THR A 51 -4.326 -13.349 -4.203 1.00 0.00 H new ATOM 0 HA THR A 51 -2.138 -13.811 -5.837 1.00 0.00 H new ATOM 0 HB THR A 51 -2.933 -14.845 -3.537 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.430 -16.601 -3.942 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.748 -17.160 -3.778 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.912 -15.982 -4.428 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.887 -16.924 -5.536 1.00 0.00 H new ATOM 771 N ASP A 52 -4.927 -14.898 -7.065 1.00 0.00 N ATOM 772 CA ASP A 52 -5.559 -15.517 -8.225 1.00 0.00 C ATOM 773 C ASP A 52 -5.416 -14.631 -9.459 1.00 0.00 C ATOM 774 O ASP A 52 -5.937 -14.950 -10.527 1.00 0.00 O ATOM 775 CB ASP A 52 -7.038 -15.785 -7.943 1.00 0.00 C ATOM 776 CG ASP A 52 -7.269 -17.140 -7.302 1.00 0.00 C ATOM 777 OD1 ASP A 52 -6.349 -17.637 -6.619 1.00 0.00 O ATOM 778 OD2 ASP A 52 -8.369 -17.703 -7.484 1.00 0.00 O ATOM 0 H ASP A 52 -5.571 -14.404 -6.447 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.056 -16.464 -8.420 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.427 -15.005 -7.288 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.599 -15.727 -8.876 1.00 0.00 H new ATOM 783 N SER A 53 -4.708 -13.517 -9.303 1.00 0.00 N ATOM 784 CA SER A 53 -4.500 -12.583 -10.403 1.00 0.00 C ATOM 785 C SER A 53 -3.568 -13.179 -11.454 1.00 0.00 C ATOM 786 O SER A 53 -3.013 -14.261 -11.264 1.00 0.00 O ATOM 787 CB SER A 53 -3.922 -11.267 -9.880 1.00 0.00 C ATOM 788 OG SER A 53 -4.944 -10.426 -9.374 1.00 0.00 O ATOM 0 H SER A 53 -4.269 -13.239 -8.425 1.00 0.00 H new ATOM 0 HA SER A 53 -5.466 -12.388 -10.869 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.194 -11.472 -9.095 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.390 -10.756 -10.682 1.00 0.00 H new ATOM 0 HG SER A 53 -5.818 -10.770 -9.653 1.00 0.00 H new ATOM 794 N ASP A 54 -3.403 -12.465 -12.562 1.00 0.00 N ATOM 795 CA ASP A 54 -2.538 -12.922 -13.643 1.00 0.00 C ATOM 796 C ASP A 54 -1.374 -11.958 -13.852 1.00 0.00 C ATOM 797 O ASP A 54 -0.213 -12.325 -13.676 1.00 0.00 O ATOM 798 CB ASP A 54 -3.338 -13.063 -14.939 1.00 0.00 C ATOM 799 CG ASP A 54 -2.672 -13.997 -15.931 1.00 0.00 C ATOM 800 OD1 ASP A 54 -2.566 -15.204 -15.631 1.00 0.00 O ATOM 801 OD2 ASP A 54 -2.259 -13.520 -17.009 1.00 0.00 O ATOM 0 H ASP A 54 -3.857 -11.568 -12.735 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.135 -13.896 -13.366 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.336 -13.435 -14.708 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.461 -12.081 -15.395 1.00 0.00 H new ATOM 806 N ASN A 55 -1.694 -10.724 -14.229 1.00 0.00 N ATOM 807 CA ASN A 55 -0.675 -9.708 -14.463 1.00 0.00 C ATOM 808 C ASN A 55 -1.074 -8.380 -13.827 1.00 0.00 C ATOM 809 O ASN A 55 -2.129 -8.272 -13.201 1.00 0.00 O ATOM 810 CB ASN A 55 -0.448 -9.520 -15.965 1.00 0.00 C ATOM 811 CG ASN A 55 -1.722 -9.150 -16.699 1.00 0.00 C ATOM 812 OD1 ASN A 55 -1.933 -7.990 -17.053 1.00 0.00 O ATOM 813 ND2 ASN A 55 -2.579 -10.137 -16.932 1.00 0.00 N ATOM 0 H ASN A 55 -2.651 -10.404 -14.379 1.00 0.00 H new ATOM 0 HA ASN A 55 0.253 -10.047 -14.002 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.298 -8.741 -16.122 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -0.043 -10.440 -16.387 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.453 -9.948 -17.422 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.363 -11.084 -16.621 1.00 0.00 H new ATOM 820 N ASP A 56 -0.225 -7.372 -13.993 1.00 0.00 N ATOM 821 CA ASP A 56 -0.489 -6.050 -13.437 1.00 0.00 C ATOM 822 C ASP A 56 -1.938 -5.638 -13.680 1.00 0.00 C ATOM 823 O ASP A 56 -2.493 -4.823 -12.944 1.00 0.00 O ATOM 824 CB ASP A 56 0.458 -5.017 -14.049 1.00 0.00 C ATOM 825 CG ASP A 56 1.888 -5.190 -13.575 1.00 0.00 C ATOM 826 OD1 ASP A 56 2.249 -4.584 -12.544 1.00 0.00 O ATOM 827 OD2 ASP A 56 2.645 -5.931 -14.235 1.00 0.00 O ATOM 0 H ASP A 56 0.652 -7.445 -14.508 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.318 -6.095 -12.361 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.426 -5.098 -15.136 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.112 -4.015 -13.794 1.00 0.00 H new ATOM 832 N SER A 57 -2.543 -6.207 -14.718 1.00 0.00 N ATOM 833 CA SER A 57 -3.925 -5.895 -15.061 1.00 0.00 C ATOM 834 C SER A 57 -4.819 -5.955 -13.826 1.00 0.00 C ATOM 835 O SER A 57 -5.912 -5.389 -13.809 1.00 0.00 O ATOM 836 CB SER A 57 -4.440 -6.867 -16.125 1.00 0.00 C ATOM 837 OG SER A 57 -3.973 -6.507 -17.414 1.00 0.00 O ATOM 0 H SER A 57 -2.098 -6.886 -15.335 1.00 0.00 H new ATOM 0 HA SER A 57 -3.954 -4.881 -15.460 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.113 -7.879 -15.886 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.530 -6.874 -16.119 1.00 0.00 H new ATOM 0 HG SER A 57 -3.028 -6.754 -17.500 1.00 0.00 H new ATOM 843 N ASP A 58 -4.346 -6.645 -12.795 1.00 0.00 N ATOM 844 CA ASP A 58 -5.100 -6.779 -11.554 1.00 0.00 C ATOM 845 C ASP A 58 -4.668 -5.726 -10.538 1.00 0.00 C ATOM 846 O ASP A 58 -5.502 -5.116 -9.868 1.00 0.00 O ATOM 847 CB ASP A 58 -4.912 -8.179 -10.966 1.00 0.00 C ATOM 848 CG ASP A 58 -5.924 -9.173 -11.502 1.00 0.00 C ATOM 849 OD1 ASP A 58 -7.137 -8.889 -11.415 1.00 0.00 O ATOM 850 OD2 ASP A 58 -5.503 -10.233 -12.009 1.00 0.00 O ATOM 0 H ASP A 58 -3.444 -7.121 -12.794 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.155 -6.627 -11.782 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.906 -8.532 -11.191 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.997 -8.128 -9.880 1.00 0.00 H new ATOM 855 N TYR A 59 -3.360 -5.518 -10.430 1.00 0.00 N ATOM 856 CA TYR A 59 -2.817 -4.541 -9.494 1.00 0.00 C ATOM 857 C TYR A 59 -3.543 -3.205 -9.619 1.00 0.00 C ATOM 858 O TYR A 59 -3.620 -2.625 -10.702 1.00 0.00 O ATOM 859 CB TYR A 59 -1.320 -4.346 -9.739 1.00 0.00 C ATOM 860 CG TYR A 59 -0.448 -5.294 -8.947 1.00 0.00 C ATOM 861 CD1 TYR A 59 -0.658 -5.491 -7.588 1.00 0.00 C ATOM 862 CD2 TYR A 59 0.585 -5.993 -9.558 1.00 0.00 C ATOM 863 CE1 TYR A 59 0.136 -6.356 -6.861 1.00 0.00 C ATOM 864 CE2 TYR A 59 1.384 -6.861 -8.839 1.00 0.00 C ATOM 865 CZ TYR A 59 1.156 -7.039 -7.491 1.00 0.00 C ATOM 866 OH TYR A 59 1.950 -7.902 -6.771 1.00 0.00 O ATOM 0 H TYR A 59 -2.657 -6.013 -10.979 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.966 -4.922 -8.484 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.114 -4.478 -10.801 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.050 -3.321 -9.487 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.456 -4.959 -7.092 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.767 -5.856 -10.614 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.041 -6.497 -5.805 1.00 0.00 H new ATOM 0 HE2 TYR A 59 2.183 -7.397 -9.330 1.00 0.00 H new ATOM 0 HH TYR A 59 2.131 -7.520 -5.887 1.00 0.00 H new ATOM 876 N LYS A 60 -4.073 -2.720 -8.501 1.00 0.00 N ATOM 877 CA LYS A 60 -4.791 -1.451 -8.482 1.00 0.00 C ATOM 878 C LYS A 60 -3.895 -0.326 -7.973 1.00 0.00 C ATOM 879 O LYS A 60 -2.706 -0.528 -7.729 1.00 0.00 O ATOM 880 CB LYS A 60 -6.039 -1.561 -7.603 1.00 0.00 C ATOM 881 CG LYS A 60 -7.257 -2.092 -8.339 1.00 0.00 C ATOM 882 CD LYS A 60 -8.400 -2.390 -7.383 1.00 0.00 C ATOM 883 CE LYS A 60 -9.272 -3.526 -7.894 1.00 0.00 C ATOM 884 NZ LYS A 60 -10.638 -3.487 -7.302 1.00 0.00 N ATOM 0 H LYS A 60 -4.019 -3.187 -7.596 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.092 -1.217 -9.503 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.822 -2.215 -6.758 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.272 -0.578 -7.193 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.582 -1.362 -9.080 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.989 -2.999 -8.881 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.998 -2.650 -6.404 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.008 -1.495 -7.250 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.345 -3.467 -8.980 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.801 -4.480 -7.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.201 -4.278 -7.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.570 -3.569 -6.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.098 -2.587 -7.549 1.00 0.00 H new ATOM 898 N LYS A 61 -4.475 0.859 -7.813 1.00 0.00 N ATOM 899 CA LYS A 61 -3.730 2.016 -7.330 1.00 0.00 C ATOM 900 C LYS A 61 -4.621 2.923 -6.487 1.00 0.00 C ATOM 901 O LYS A 61 -5.590 3.495 -6.986 1.00 0.00 O ATOM 902 CB LYS A 61 -3.151 2.803 -8.508 1.00 0.00 C ATOM 903 CG LYS A 61 -2.186 3.899 -8.091 1.00 0.00 C ATOM 904 CD LYS A 61 -1.405 4.436 -9.279 1.00 0.00 C ATOM 905 CE LYS A 61 -2.261 5.351 -10.141 1.00 0.00 C ATOM 906 NZ LYS A 61 -1.501 5.890 -11.302 1.00 0.00 N ATOM 0 H LYS A 61 -5.459 1.043 -8.011 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.913 1.656 -6.705 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.637 2.113 -9.177 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.969 3.247 -9.075 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.739 4.712 -7.620 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.493 3.510 -7.345 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.531 4.982 -8.924 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.039 3.604 -9.881 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.131 4.802 -10.500 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.633 6.177 -9.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.119 6.509 -11.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.684 6.435 -10.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.168 5.103 -11.894 1.00 0.00 H new ATOM 920 N ASP A 62 -4.285 3.050 -5.208 1.00 0.00 N ATOM 921 CA ASP A 62 -5.054 3.890 -4.296 1.00 0.00 C ATOM 922 C ASP A 62 -4.198 5.033 -3.759 1.00 0.00 C ATOM 923 O ASP A 62 -3.274 4.814 -2.975 1.00 0.00 O ATOM 924 CB ASP A 62 -5.598 3.055 -3.136 1.00 0.00 C ATOM 925 CG ASP A 62 -6.913 2.381 -3.476 1.00 0.00 C ATOM 926 OD1 ASP A 62 -7.517 2.743 -4.508 1.00 0.00 O ATOM 927 OD2 ASP A 62 -7.339 1.492 -2.710 1.00 0.00 O ATOM 0 H ASP A 62 -3.486 2.583 -4.779 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.890 4.315 -4.850 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.864 2.297 -2.862 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.735 3.695 -2.264 1.00 0.00 H new ATOM 932 N MET A 63 -4.511 6.252 -4.186 1.00 0.00 N ATOM 933 CA MET A 63 -3.770 7.429 -3.748 1.00 0.00 C ATOM 934 C MET A 63 -4.153 7.812 -2.322 1.00 0.00 C ATOM 935 O MET A 63 -5.253 7.506 -1.860 1.00 0.00 O ATOM 936 CB MET A 63 -4.032 8.604 -4.691 1.00 0.00 C ATOM 937 CG MET A 63 -2.871 9.580 -4.784 1.00 0.00 C ATOM 938 SD MET A 63 -2.834 10.747 -3.410 1.00 0.00 S ATOM 939 CE MET A 63 -4.202 11.820 -3.841 1.00 0.00 C ATOM 0 H MET A 63 -5.273 6.450 -4.835 1.00 0.00 H new ATOM 0 HA MET A 63 -2.707 7.187 -3.768 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.252 8.218 -5.686 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.919 9.139 -4.353 1.00 0.00 H new ATOM 0 HG2 MET A 63 -1.934 9.023 -4.808 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.939 10.131 -5.722 1.00 0.00 H new ATOM 0 HE1 MET A 63 -4.118 12.756 -3.289 1.00 0.00 H new ATOM 0 HE2 MET A 63 -4.179 12.026 -4.911 1.00 0.00 H new ATOM 0 HE3 MET A 63 -5.142 11.331 -3.586 1.00 0.00 H new ATOM 949 N VAL A 64 -3.239 8.483 -1.628 1.00 0.00 N ATOM 950 CA VAL A 64 -3.482 8.908 -0.254 1.00 0.00 C ATOM 951 C VAL A 64 -2.791 10.235 0.040 1.00 0.00 C ATOM 952 O VAL A 64 -1.675 10.478 -0.416 1.00 0.00 O ATOM 953 CB VAL A 64 -2.993 7.852 0.755 1.00 0.00 C ATOM 954 CG1 VAL A 64 -3.487 8.183 2.155 1.00 0.00 C ATOM 955 CG2 VAL A 64 -3.449 6.463 0.334 1.00 0.00 C ATOM 0 H VAL A 64 -2.324 8.744 -1.995 1.00 0.00 H new ATOM 0 HA VAL A 64 -4.560 9.031 -0.146 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.903 7.863 0.768 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.132 7.426 2.855 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.107 9.160 2.453 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.577 8.200 2.162 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.095 5.729 1.058 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.538 6.435 0.291 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.041 6.229 -0.649 1.00 0.00 H new ATOM 965 N GLU A 65 -3.463 11.088 0.806 1.00 0.00 N ATOM 966 CA GLU A 65 -2.913 12.391 1.161 1.00 0.00 C ATOM 967 C GLU A 65 -1.416 12.291 1.443 1.00 0.00 C ATOM 968 O GLU A 65 -0.944 11.304 2.005 1.00 0.00 O ATOM 969 CB GLU A 65 -3.636 12.959 2.384 1.00 0.00 C ATOM 970 CG GLU A 65 -5.104 12.573 2.457 1.00 0.00 C ATOM 971 CD GLU A 65 -5.826 12.774 1.139 1.00 0.00 C ATOM 972 OE1 GLU A 65 -6.362 13.880 0.919 1.00 0.00 O ATOM 973 OE2 GLU A 65 -5.856 11.825 0.327 1.00 0.00 O ATOM 0 H GLU A 65 -4.388 10.901 1.192 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.062 13.062 0.315 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.133 12.612 3.287 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.555 14.046 2.371 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.187 11.528 2.757 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.594 13.166 3.229 1.00 0.00 H new ATOM 980 N GLY A 66 -0.676 13.322 1.047 1.00 0.00 N ATOM 981 CA GLY A 66 0.759 13.331 1.264 1.00 0.00 C ATOM 982 C GLY A 66 1.123 13.331 2.736 1.00 0.00 C ATOM 983 O GLY A 66 2.193 12.857 3.118 1.00 0.00 O ATOM 0 H GLY A 66 -1.044 14.151 0.580 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.201 12.458 0.784 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.190 14.211 0.786 1.00 0.00 H new ATOM 987 N ASP A 67 0.232 13.865 3.564 1.00 0.00 N ATOM 988 CA ASP A 67 0.464 13.925 5.002 1.00 0.00 C ATOM 989 C ASP A 67 0.018 12.633 5.680 1.00 0.00 C ATOM 990 O ASP A 67 0.441 12.327 6.794 1.00 0.00 O ATOM 991 CB ASP A 67 -0.276 15.117 5.610 1.00 0.00 C ATOM 992 CG ASP A 67 -1.755 15.113 5.275 1.00 0.00 C ATOM 993 OD1 ASP A 67 -2.113 15.574 4.171 1.00 0.00 O ATOM 994 OD2 ASP A 67 -2.553 14.650 6.116 1.00 0.00 O ATOM 0 H ASP A 67 -0.658 14.263 3.264 1.00 0.00 H new ATOM 0 HA ASP A 67 1.534 14.049 5.167 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.152 15.104 6.693 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.173 16.042 5.249 1.00 0.00 H new ATOM 999 N ARG A 68 -0.841 11.881 4.999 1.00 0.00 N ATOM 1000 CA ARG A 68 -1.347 10.623 5.536 1.00 0.00 C ATOM 1001 C ARG A 68 -0.315 9.511 5.380 1.00 0.00 C ATOM 1002 O ARG A 68 0.256 9.326 4.305 1.00 0.00 O ATOM 1003 CB ARG A 68 -2.647 10.230 4.832 1.00 0.00 C ATOM 1004 CG ARG A 68 -3.519 9.286 5.645 1.00 0.00 C ATOM 1005 CD ARG A 68 -4.491 10.050 6.531 1.00 0.00 C ATOM 1006 NE ARG A 68 -5.725 9.303 6.759 1.00 0.00 N ATOM 1007 CZ ARG A 68 -6.731 9.264 5.893 1.00 0.00 C ATOM 1008 NH1 ARG A 68 -6.649 9.924 4.746 1.00 0.00 N ATOM 1009 NH2 ARG A 68 -7.822 8.562 6.173 1.00 0.00 N ATOM 0 H ARG A 68 -1.201 12.121 4.075 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.545 10.764 6.598 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.215 11.132 4.607 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.406 9.759 3.879 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.075 8.632 4.973 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.888 8.647 6.262 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.016 10.267 7.488 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.727 11.008 6.068 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.819 8.783 7.631 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.812 10.464 4.527 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.423 9.892 4.083 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.888 8.052 7.054 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.594 8.533 5.507 1.00 0.00 H new ATOM 1023 N TYR A 69 -0.079 8.774 6.460 1.00 0.00 N ATOM 1024 CA TYR A 69 0.887 7.682 6.445 1.00 0.00 C ATOM 1025 C TYR A 69 0.193 6.338 6.647 1.00 0.00 C ATOM 1026 O TYR A 69 0.843 5.322 6.892 1.00 0.00 O ATOM 1027 CB TYR A 69 1.943 7.892 7.530 1.00 0.00 C ATOM 1028 CG TYR A 69 3.143 8.684 7.063 1.00 0.00 C ATOM 1029 CD1 TYR A 69 2.988 9.808 6.261 1.00 0.00 C ATOM 1030 CD2 TYR A 69 4.431 8.310 7.424 1.00 0.00 C ATOM 1031 CE1 TYR A 69 4.082 10.535 5.830 1.00 0.00 C ATOM 1032 CE2 TYR A 69 5.531 9.031 7.000 1.00 0.00 C ATOM 1033 CZ TYR A 69 5.350 10.143 6.203 1.00 0.00 C ATOM 1034 OH TYR A 69 6.442 10.864 5.777 1.00 0.00 O ATOM 0 H TYR A 69 -0.544 8.913 7.357 1.00 0.00 H new ATOM 0 HA TYR A 69 1.375 7.676 5.470 1.00 0.00 H new ATOM 0 HB2 TYR A 69 1.486 8.406 8.375 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.278 6.920 7.892 1.00 0.00 H new ATOM 0 HD1 TYR A 69 1.996 10.119 5.969 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.575 7.440 8.047 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.944 11.405 5.205 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.526 8.726 7.290 1.00 0.00 H new ATOM 0 HH TYR A 69 6.931 11.206 6.554 1.00 0.00 H new ATOM 1044 N TRP A 70 -1.131 6.342 6.542 1.00 0.00 N ATOM 1045 CA TRP A 70 -1.914 5.124 6.713 1.00 0.00 C ATOM 1046 C TRP A 70 -3.114 5.111 5.772 1.00 0.00 C ATOM 1047 O TRP A 70 -3.629 6.164 5.394 1.00 0.00 O ATOM 1048 CB TRP A 70 -2.386 4.995 8.163 1.00 0.00 C ATOM 1049 CG TRP A 70 -3.492 5.944 8.514 1.00 0.00 C ATOM 1050 CD1 TRP A 70 -3.360 7.196 9.042 1.00 0.00 C ATOM 1051 CD2 TRP A 70 -4.897 5.715 8.363 1.00 0.00 C ATOM 1052 NE1 TRP A 70 -4.599 7.760 9.229 1.00 0.00 N ATOM 1053 CE2 TRP A 70 -5.559 6.872 8.819 1.00 0.00 C ATOM 1054 CE3 TRP A 70 -5.661 4.647 7.885 1.00 0.00 C ATOM 1055 CZ2 TRP A 70 -6.946 6.988 8.812 1.00 0.00 C ATOM 1056 CZ3 TRP A 70 -7.038 4.763 7.878 1.00 0.00 C ATOM 1057 CH2 TRP A 70 -7.669 5.927 8.339 1.00 0.00 C ATOM 0 H TRP A 70 -1.684 7.175 6.339 1.00 0.00 H new ATOM 0 HA TRP A 70 -1.276 4.275 6.469 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -2.724 3.974 8.338 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.541 5.170 8.829 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -2.420 7.673 9.278 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -4.776 8.689 9.611 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -5.184 3.747 7.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -7.434 7.884 9.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -7.638 3.943 7.511 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -8.747 5.987 8.320 1.00 0.00 H new ATOM 1068 N HIS A 71 -3.555 3.914 5.398 1.00 0.00 N ATOM 1069 CA HIS A 71 -4.695 3.766 4.501 1.00 0.00 C ATOM 1070 C HIS A 71 -5.365 2.409 4.693 1.00 0.00 C ATOM 1071 O HIS A 71 -4.692 1.381 4.778 1.00 0.00 O ATOM 1072 CB HIS A 71 -4.252 3.928 3.047 1.00 0.00 C ATOM 1073 CG HIS A 71 -5.384 3.883 2.067 1.00 0.00 C ATOM 1074 ND1 HIS A 71 -6.321 4.888 1.952 1.00 0.00 N ATOM 1075 CD2 HIS A 71 -5.725 2.946 1.151 1.00 0.00 C ATOM 1076 CE1 HIS A 71 -7.191 4.571 1.010 1.00 0.00 C ATOM 1077 NE2 HIS A 71 -6.852 3.397 0.508 1.00 0.00 N ATOM 0 H HIS A 71 -3.140 3.033 5.702 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.418 4.546 4.741 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -3.727 4.877 2.939 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -3.540 3.140 2.803 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -5.207 2.017 0.961 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -8.036 5.170 0.703 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -7.347 2.905 -0.236 1.00 0.00 H new ATOM 1086 N SER A 72 -6.692 2.413 4.761 1.00 0.00 N ATOM 1087 CA SER A 72 -7.452 1.182 4.947 1.00 0.00 C ATOM 1088 C SER A 72 -8.122 0.755 3.645 1.00 0.00 C ATOM 1089 O SER A 72 -9.052 1.406 3.170 1.00 0.00 O ATOM 1090 CB SER A 72 -8.507 1.370 6.039 1.00 0.00 C ATOM 1091 OG SER A 72 -9.417 2.401 5.697 1.00 0.00 O ATOM 0 H SER A 72 -7.264 3.255 4.690 1.00 0.00 H new ATOM 0 HA SER A 72 -6.759 0.398 5.252 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.050 0.437 6.189 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.019 1.610 6.983 1.00 0.00 H new ATOM 0 HG SER A 72 -9.590 2.378 4.733 1.00 0.00 H new ATOM 1097 N ILE A 73 -7.641 -0.344 3.073 1.00 0.00 N ATOM 1098 CA ILE A 73 -8.193 -0.860 1.827 1.00 0.00 C ATOM 1099 C ILE A 73 -9.533 -1.550 2.062 1.00 0.00 C ATOM 1100 O ILE A 73 -9.815 -2.020 3.164 1.00 0.00 O ATOM 1101 CB ILE A 73 -7.229 -1.854 1.152 1.00 0.00 C ATOM 1102 CG1 ILE A 73 -5.822 -1.257 1.070 1.00 0.00 C ATOM 1103 CG2 ILE A 73 -7.734 -2.225 -0.234 1.00 0.00 C ATOM 1104 CD1 ILE A 73 -4.748 -2.281 0.778 1.00 0.00 C ATOM 0 H ILE A 73 -6.870 -0.894 3.453 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.338 -0.003 1.169 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.185 -2.761 1.755 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.805 -0.493 0.293 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.592 -0.759 2.012 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -7.042 -2.928 -0.697 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.718 -2.686 -0.151 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.805 -1.327 -0.848 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.777 -1.788 0.734 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.738 -3.033 1.567 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.954 -2.762 -0.178 1.00 0.00 H new ATOM 1116 N SER A 74 -10.354 -1.608 1.019 1.00 0.00 N ATOM 1117 CA SER A 74 -11.665 -2.239 1.112 1.00 0.00 C ATOM 1118 C SER A 74 -11.995 -2.999 -0.169 1.00 0.00 C ATOM 1119 O SER A 74 -11.227 -2.979 -1.131 1.00 0.00 O ATOM 1120 CB SER A 74 -12.742 -1.187 1.387 1.00 0.00 C ATOM 1121 OG SER A 74 -12.338 -0.300 2.416 1.00 0.00 O ATOM 0 H SER A 74 -10.134 -1.226 0.099 1.00 0.00 H new ATOM 0 HA SER A 74 -11.641 -2.949 1.938 1.00 0.00 H new ATOM 0 HB2 SER A 74 -12.945 -0.624 0.476 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.672 -1.680 1.672 1.00 0.00 H new ATOM 0 HG SER A 74 -13.043 0.363 2.572 1.00 0.00 H new ATOM 1127 N HIS A 75 -13.143 -3.669 -0.173 1.00 0.00 N ATOM 1128 CA HIS A 75 -13.577 -4.436 -1.335 1.00 0.00 C ATOM 1129 C HIS A 75 -12.585 -5.552 -1.650 1.00 0.00 C ATOM 1130 O HIS A 75 -12.201 -5.748 -2.804 1.00 0.00 O ATOM 1131 CB HIS A 75 -13.733 -3.519 -2.548 1.00 0.00 C ATOM 1132 CG HIS A 75 -14.927 -2.618 -2.469 1.00 0.00 C ATOM 1133 ND1 HIS A 75 -15.670 -2.254 -3.572 1.00 0.00 N ATOM 1134 CD2 HIS A 75 -15.507 -2.009 -1.409 1.00 0.00 C ATOM 1135 CE1 HIS A 75 -16.655 -1.459 -3.194 1.00 0.00 C ATOM 1136 NE2 HIS A 75 -16.579 -1.294 -1.886 1.00 0.00 N ATOM 0 H HIS A 75 -13.789 -3.696 0.616 1.00 0.00 H new ATOM 0 HA HIS A 75 -14.542 -4.886 -1.103 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -12.835 -2.910 -2.650 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -13.808 -4.130 -3.448 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -15.187 -2.073 -0.380 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -17.396 -1.019 -3.844 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -17.213 -0.728 -1.322 1.00 0.00 H new ATOM 1145 N LEU A 76 -12.173 -6.280 -0.618 1.00 0.00 N ATOM 1146 CA LEU A 76 -11.225 -7.376 -0.785 1.00 0.00 C ATOM 1147 C LEU A 76 -11.903 -8.722 -0.551 1.00 0.00 C ATOM 1148 O LEU A 76 -13.074 -8.781 -0.177 1.00 0.00 O ATOM 1149 CB LEU A 76 -10.049 -7.210 0.179 1.00 0.00 C ATOM 1150 CG LEU A 76 -9.486 -5.795 0.314 1.00 0.00 C ATOM 1151 CD1 LEU A 76 -8.912 -5.579 1.706 1.00 0.00 C ATOM 1152 CD2 LEU A 76 -8.427 -5.539 -0.748 1.00 0.00 C ATOM 0 H LEU A 76 -12.480 -6.131 0.343 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.854 -7.350 -1.809 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.363 -7.550 1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.244 -7.870 -0.144 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.300 -5.085 0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.516 -4.566 1.783 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.697 -5.719 2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.111 -6.296 1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -8.037 -4.527 -0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.614 -6.256 -0.631 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.870 -5.651 -1.738 1.00 0.00 H new ATOM 1164 N GLN A 77 -11.158 -9.800 -0.773 1.00 0.00 N ATOM 1165 CA GLN A 77 -11.687 -11.146 -0.585 1.00 0.00 C ATOM 1166 C GLN A 77 -11.383 -11.659 0.819 1.00 0.00 C ATOM 1167 O GLN A 77 -10.321 -11.401 1.384 1.00 0.00 O ATOM 1168 CB GLN A 77 -11.099 -12.098 -1.627 1.00 0.00 C ATOM 1169 CG GLN A 77 -11.421 -11.706 -3.060 1.00 0.00 C ATOM 1170 CD GLN A 77 -10.478 -12.338 -4.064 1.00 0.00 C ATOM 1171 OE1 GLN A 77 -10.008 -13.460 -3.871 1.00 0.00 O ATOM 1172 NE2 GLN A 77 -10.195 -11.619 -5.145 1.00 0.00 N ATOM 0 H GLN A 77 -10.187 -9.768 -1.083 1.00 0.00 H new ATOM 0 HA GLN A 77 -12.769 -11.105 -0.711 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -10.017 -12.135 -1.504 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -11.475 -13.104 -1.441 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -12.444 -12.002 -3.292 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -11.373 -10.621 -3.155 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -10.607 -10.694 -5.264 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -9.566 -11.993 -5.856 1.00 0.00 H new ATOM 1181 N PRO A 78 -12.338 -12.403 1.397 1.00 0.00 N ATOM 1182 CA PRO A 78 -12.195 -12.969 2.742 1.00 0.00 C ATOM 1183 C PRO A 78 -11.157 -14.083 2.795 1.00 0.00 C ATOM 1184 O PRO A 78 -10.926 -14.776 1.805 1.00 0.00 O ATOM 1185 CB PRO A 78 -13.590 -13.522 3.044 1.00 0.00 C ATOM 1186 CG PRO A 78 -14.186 -13.798 1.706 1.00 0.00 C ATOM 1187 CD PRO A 78 -13.630 -12.751 0.782 1.00 0.00 C ATOM 0 HA PRO A 78 -11.851 -12.227 3.462 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -13.535 -14.428 3.647 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -14.188 -12.803 3.603 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -13.927 -14.799 1.362 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -15.274 -13.746 1.745 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.503 -13.135 -0.230 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -14.288 -11.885 0.714 1.00 0.00 H new ATOM 1195 N GLU A 79 -10.533 -14.251 3.957 1.00 0.00 N ATOM 1196 CA GLU A 79 -9.519 -15.282 4.138 1.00 0.00 C ATOM 1197 C GLU A 79 -8.716 -15.486 2.856 1.00 0.00 C ATOM 1198 O GLU A 79 -8.376 -16.614 2.494 1.00 0.00 O ATOM 1199 CB GLU A 79 -10.170 -16.601 4.560 1.00 0.00 C ATOM 1200 CG GLU A 79 -11.542 -16.826 3.948 1.00 0.00 C ATOM 1201 CD GLU A 79 -12.035 -18.249 4.128 1.00 0.00 C ATOM 1202 OE1 GLU A 79 -12.625 -18.542 5.189 1.00 0.00 O ATOM 1203 OE2 GLU A 79 -11.831 -19.069 3.209 1.00 0.00 O ATOM 0 H GLU A 79 -10.712 -13.686 4.787 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.839 -14.953 4.924 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -9.516 -17.426 4.278 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.258 -16.622 5.646 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.255 -16.138 4.402 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.504 -16.590 2.884 1.00 0.00 H new ATOM 1210 N THR A 80 -8.417 -14.387 2.171 1.00 0.00 N ATOM 1211 CA THR A 80 -7.656 -14.444 0.929 1.00 0.00 C ATOM 1212 C THR A 80 -6.260 -13.860 1.112 1.00 0.00 C ATOM 1213 O THR A 80 -6.101 -12.653 1.295 1.00 0.00 O ATOM 1214 CB THR A 80 -8.373 -13.685 -0.204 1.00 0.00 C ATOM 1215 OG1 THR A 80 -9.660 -14.266 -0.445 1.00 0.00 O ATOM 1216 CG2 THR A 80 -7.550 -13.717 -1.483 1.00 0.00 C ATOM 0 H THR A 80 -8.690 -13.446 2.455 1.00 0.00 H new ATOM 0 HA THR A 80 -7.574 -15.496 0.657 1.00 0.00 H new ATOM 0 HB THR A 80 -8.495 -12.647 0.105 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.202 -14.211 0.370 1.00 0.00 H new ATOM 0 HG21 THR A 80 -8.077 -13.175 -2.268 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.582 -13.248 -1.305 1.00 0.00 H new ATOM 0 HG23 THR A 80 -7.401 -14.751 -1.794 1.00 0.00 H new ATOM 1224 N SER A 81 -5.251 -14.724 1.059 1.00 0.00 N ATOM 1225 CA SER A 81 -3.867 -14.294 1.223 1.00 0.00 C ATOM 1226 C SER A 81 -3.311 -13.744 -0.088 1.00 0.00 C ATOM 1227 O SER A 81 -3.050 -14.495 -1.028 1.00 0.00 O ATOM 1228 CB SER A 81 -3.003 -15.459 1.708 1.00 0.00 C ATOM 1229 OG SER A 81 -1.908 -14.995 2.479 1.00 0.00 O ATOM 0 H SER A 81 -5.366 -15.726 0.904 1.00 0.00 H new ATOM 0 HA SER A 81 -3.844 -13.500 1.969 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.609 -16.141 2.304 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.635 -16.024 0.852 1.00 0.00 H new ATOM 0 HG SER A 81 -1.372 -15.759 2.779 1.00 0.00 H new ATOM 1235 N TYR A 82 -3.134 -12.429 -0.142 1.00 0.00 N ATOM 1236 CA TYR A 82 -2.611 -11.777 -1.337 1.00 0.00 C ATOM 1237 C TYR A 82 -1.526 -10.766 -0.976 1.00 0.00 C ATOM 1238 O TYR A 82 -1.460 -10.288 0.156 1.00 0.00 O ATOM 1239 CB TYR A 82 -3.740 -11.079 -2.097 1.00 0.00 C ATOM 1240 CG TYR A 82 -4.635 -10.237 -1.216 1.00 0.00 C ATOM 1241 CD1 TYR A 82 -4.249 -8.963 -0.817 1.00 0.00 C ATOM 1242 CD2 TYR A 82 -5.864 -10.715 -0.781 1.00 0.00 C ATOM 1243 CE1 TYR A 82 -5.062 -8.190 -0.011 1.00 0.00 C ATOM 1244 CE2 TYR A 82 -6.685 -9.949 0.024 1.00 0.00 C ATOM 1245 CZ TYR A 82 -6.279 -8.687 0.406 1.00 0.00 C ATOM 1246 OH TYR A 82 -7.093 -7.921 1.209 1.00 0.00 O ATOM 0 H TYR A 82 -3.345 -11.793 0.627 1.00 0.00 H new ATOM 0 HA TYR A 82 -2.171 -12.543 -1.975 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.307 -10.446 -2.872 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.346 -11.831 -2.602 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.297 -8.571 -1.143 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -6.184 -11.703 -1.077 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.746 -7.202 0.291 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.639 -10.336 0.352 1.00 0.00 H new ATOM 0 HH TYR A 82 -7.996 -8.302 1.218 1.00 0.00 H new ATOM 1256 N ASP A 83 -0.678 -10.447 -1.947 1.00 0.00 N ATOM 1257 CA ASP A 83 0.404 -9.493 -1.735 1.00 0.00 C ATOM 1258 C ASP A 83 -0.132 -8.065 -1.690 1.00 0.00 C ATOM 1259 O ASP A 83 -1.170 -7.763 -2.279 1.00 0.00 O ATOM 1260 CB ASP A 83 1.452 -9.623 -2.841 1.00 0.00 C ATOM 1261 CG ASP A 83 1.160 -8.721 -4.024 1.00 0.00 C ATOM 1262 OD1 ASP A 83 0.143 -8.952 -4.710 1.00 0.00 O ATOM 1263 OD2 ASP A 83 1.949 -7.783 -4.263 1.00 0.00 O ATOM 0 H ASP A 83 -0.719 -10.835 -2.889 1.00 0.00 H new ATOM 0 HA ASP A 83 0.870 -9.718 -0.776 1.00 0.00 H new ATOM 0 HB2 ASP A 83 2.435 -9.380 -2.437 1.00 0.00 H new ATOM 0 HB3 ASP A 83 1.493 -10.659 -3.179 1.00 0.00 H new ATOM 1268 N ILE A 84 0.582 -7.192 -0.987 1.00 0.00 N ATOM 1269 CA ILE A 84 0.178 -5.797 -0.866 1.00 0.00 C ATOM 1270 C ILE A 84 1.392 -4.876 -0.807 1.00 0.00 C ATOM 1271 O ILE A 84 2.169 -4.915 0.147 1.00 0.00 O ATOM 1272 CB ILE A 84 -0.688 -5.568 0.388 1.00 0.00 C ATOM 1273 CG1 ILE A 84 -1.941 -6.445 0.336 1.00 0.00 C ATOM 1274 CG2 ILE A 84 -1.066 -4.100 0.509 1.00 0.00 C ATOM 1275 CD1 ILE A 84 -2.601 -6.635 1.684 1.00 0.00 C ATOM 0 H ILE A 84 1.443 -7.426 -0.493 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.411 -5.561 -1.752 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.109 -5.847 1.268 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.659 -5.998 -0.352 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.675 -7.421 -0.070 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.678 -3.954 1.399 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.162 -3.497 0.587 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.630 -3.796 -0.373 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.482 -7.267 1.572 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.899 -7.110 2.369 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.898 -5.665 2.084 1.00 0.00 H new ATOM 1287 N LYS A 85 1.548 -4.046 -1.832 1.00 0.00 N ATOM 1288 CA LYS A 85 2.665 -3.112 -1.898 1.00 0.00 C ATOM 1289 C LYS A 85 2.172 -1.690 -2.149 1.00 0.00 C ATOM 1290 O LYS A 85 0.976 -1.461 -2.327 1.00 0.00 O ATOM 1291 CB LYS A 85 3.641 -3.527 -3.001 1.00 0.00 C ATOM 1292 CG LYS A 85 3.058 -3.420 -4.400 1.00 0.00 C ATOM 1293 CD LYS A 85 4.100 -3.727 -5.463 1.00 0.00 C ATOM 1294 CE LYS A 85 3.452 -4.054 -6.799 1.00 0.00 C ATOM 1295 NZ LYS A 85 2.654 -2.912 -7.324 1.00 0.00 N ATOM 0 H LYS A 85 0.914 -4.001 -2.630 1.00 0.00 H new ATOM 0 HA LYS A 85 3.181 -3.135 -0.938 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.533 -2.903 -2.939 1.00 0.00 H new ATOM 0 HB3 LYS A 85 3.958 -4.555 -2.826 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.220 -4.110 -4.500 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.664 -2.416 -4.555 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.765 -2.872 -5.580 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.715 -4.567 -5.140 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.224 -4.320 -7.521 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.807 -4.926 -6.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 1.645 -3.165 -7.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.802 -2.078 -6.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.957 -2.694 -8.295 1.00 0.00 H new ATOM 1309 N MET A 86 3.101 -0.740 -2.164 1.00 0.00 N ATOM 1310 CA MET A 86 2.760 0.658 -2.396 1.00 0.00 C ATOM 1311 C MET A 86 3.971 1.436 -2.901 1.00 0.00 C ATOM 1312 O MET A 86 5.086 0.915 -2.931 1.00 0.00 O ATOM 1313 CB MET A 86 2.229 1.296 -1.112 1.00 0.00 C ATOM 1314 CG MET A 86 3.225 1.271 0.037 1.00 0.00 C ATOM 1315 SD MET A 86 2.784 2.410 1.363 1.00 0.00 S ATOM 1316 CE MET A 86 2.516 3.920 0.438 1.00 0.00 C ATOM 0 H MET A 86 4.096 -0.913 -2.018 1.00 0.00 H new ATOM 0 HA MET A 86 1.982 0.694 -3.159 1.00 0.00 H new ATOM 0 HB2 MET A 86 1.950 2.329 -1.318 1.00 0.00 H new ATOM 0 HB3 MET A 86 1.321 0.776 -0.806 1.00 0.00 H new ATOM 0 HG2 MET A 86 3.286 0.259 0.438 1.00 0.00 H new ATOM 0 HG3 MET A 86 4.216 1.525 -0.340 1.00 0.00 H new ATOM 0 HE1 MET A 86 2.811 4.776 1.045 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.113 3.899 -0.474 1.00 0.00 H new ATOM 0 HE3 MET A 86 1.461 4.006 0.179 1.00 0.00 H new ATOM 1326 N GLN A 87 3.744 2.685 -3.296 1.00 0.00 N ATOM 1327 CA GLN A 87 4.817 3.533 -3.801 1.00 0.00 C ATOM 1328 C GLN A 87 4.414 5.004 -3.758 1.00 0.00 C ATOM 1329 O GLN A 87 3.245 5.343 -3.945 1.00 0.00 O ATOM 1330 CB GLN A 87 5.182 3.134 -5.232 1.00 0.00 C ATOM 1331 CG GLN A 87 5.727 4.283 -6.064 1.00 0.00 C ATOM 1332 CD GLN A 87 4.636 5.045 -6.791 1.00 0.00 C ATOM 1333 OE1 GLN A 87 4.148 6.067 -6.307 1.00 0.00 O ATOM 1334 NE2 GLN A 87 4.248 4.551 -7.961 1.00 0.00 N ATOM 0 H GLN A 87 2.827 3.132 -3.276 1.00 0.00 H new ATOM 0 HA GLN A 87 5.687 3.394 -3.160 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.924 2.336 -5.200 1.00 0.00 H new ATOM 0 HB3 GLN A 87 4.298 2.728 -5.724 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.274 4.968 -5.416 1.00 0.00 H new ATOM 0 HG3 GLN A 87 6.440 3.894 -6.791 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.680 3.701 -8.324 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.518 5.021 -8.496 1.00 0.00 H new ATOM 1343 N CYS A 88 5.389 5.872 -3.509 1.00 0.00 N ATOM 1344 CA CYS A 88 5.136 7.306 -3.440 1.00 0.00 C ATOM 1345 C CYS A 88 5.497 7.986 -4.757 1.00 0.00 C ATOM 1346 O CYS A 88 6.192 7.411 -5.595 1.00 0.00 O ATOM 1347 CB CYS A 88 5.933 7.932 -2.295 1.00 0.00 C ATOM 1348 SG CYS A 88 7.693 8.143 -2.649 1.00 0.00 S ATOM 0 H CYS A 88 6.361 5.607 -3.352 1.00 0.00 H new ATOM 0 HA CYS A 88 4.072 7.453 -3.255 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.502 8.904 -2.056 1.00 0.00 H new ATOM 0 HB3 CYS A 88 5.824 7.309 -1.408 1.00 0.00 H new ATOM 0 HG CYS A 88 8.281 8.681 -1.622 1.00 0.00 H new ATOM 1354 N PHE A 89 5.018 9.213 -4.934 1.00 0.00 N ATOM 1355 CA PHE A 89 5.288 9.971 -6.150 1.00 0.00 C ATOM 1356 C PHE A 89 5.156 11.470 -5.898 1.00 0.00 C ATOM 1357 O PHE A 89 4.537 11.894 -4.923 1.00 0.00 O ATOM 1358 CB PHE A 89 4.331 9.544 -7.265 1.00 0.00 C ATOM 1359 CG PHE A 89 2.916 9.997 -7.047 1.00 0.00 C ATOM 1360 CD1 PHE A 89 2.170 9.499 -5.992 1.00 0.00 C ATOM 1361 CD2 PHE A 89 2.332 10.922 -7.898 1.00 0.00 C ATOM 1362 CE1 PHE A 89 0.868 9.914 -5.788 1.00 0.00 C ATOM 1363 CE2 PHE A 89 1.030 11.341 -7.699 1.00 0.00 C ATOM 1364 CZ PHE A 89 0.297 10.836 -6.643 1.00 0.00 C ATOM 0 H PHE A 89 4.441 9.703 -4.251 1.00 0.00 H new ATOM 0 HA PHE A 89 6.312 9.761 -6.459 1.00 0.00 H new ATOM 0 HB2 PHE A 89 4.690 9.944 -8.214 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.347 8.457 -7.350 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.611 8.777 -5.320 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.900 11.320 -8.726 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.298 9.518 -4.961 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.586 12.063 -8.369 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.721 11.162 -6.486 1.00 0.00 H new ATOM 1374 N ASN A 90 5.745 12.267 -6.784 1.00 0.00 N ATOM 1375 CA ASN A 90 5.695 13.719 -6.657 1.00 0.00 C ATOM 1376 C ASN A 90 5.970 14.392 -7.998 1.00 0.00 C ATOM 1377 O ASN A 90 6.375 13.739 -8.960 1.00 0.00 O ATOM 1378 CB ASN A 90 6.709 14.197 -5.616 1.00 0.00 C ATOM 1379 CG ASN A 90 8.073 14.469 -6.221 1.00 0.00 C ATOM 1380 OD1 ASN A 90 8.408 13.948 -7.285 1.00 0.00 O ATOM 1381 ND2 ASN A 90 8.868 15.289 -5.543 1.00 0.00 N ATOM 0 H ASN A 90 6.262 11.932 -7.597 1.00 0.00 H new ATOM 0 HA ASN A 90 4.692 13.995 -6.331 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.338 15.105 -5.141 1.00 0.00 H new ATOM 0 HB3 ASN A 90 6.805 13.444 -4.834 1.00 0.00 H new ATOM 0 HD21 ASN A 90 9.798 15.509 -5.900 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.549 15.698 -4.665 1.00 0.00 H new ATOM 1388 N GLU A 91 5.748 15.702 -8.054 1.00 0.00 N ATOM 1389 CA GLU A 91 5.973 16.462 -9.278 1.00 0.00 C ATOM 1390 C GLU A 91 7.211 15.957 -10.013 1.00 0.00 C ATOM 1391 O GLU A 91 7.270 15.981 -11.242 1.00 0.00 O ATOM 1392 CB GLU A 91 6.128 17.951 -8.958 1.00 0.00 C ATOM 1393 CG GLU A 91 6.085 18.845 -10.186 1.00 0.00 C ATOM 1394 CD GLU A 91 6.621 20.237 -9.913 1.00 0.00 C ATOM 1395 OE1 GLU A 91 6.025 20.950 -9.080 1.00 0.00 O ATOM 1396 OE2 GLU A 91 7.638 20.612 -10.534 1.00 0.00 O ATOM 0 H GLU A 91 5.413 16.258 -7.267 1.00 0.00 H new ATOM 0 HA GLU A 91 5.107 16.324 -9.925 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.335 18.251 -8.273 1.00 0.00 H new ATOM 0 HB3 GLU A 91 7.074 18.106 -8.439 1.00 0.00 H new ATOM 0 HG2 GLU A 91 6.667 18.386 -10.985 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.057 18.919 -10.541 1.00 0.00 H new ATOM 1403 N GLY A 92 8.200 15.500 -9.250 1.00 0.00 N ATOM 1404 CA GLY A 92 9.424 14.996 -9.846 1.00 0.00 C ATOM 1405 C GLY A 92 9.210 13.699 -10.599 1.00 0.00 C ATOM 1406 O GLY A 92 9.564 13.588 -11.773 1.00 0.00 O ATOM 0 H GLY A 92 8.175 15.470 -8.231 1.00 0.00 H new ATOM 0 HA2 GLY A 92 9.828 15.745 -10.527 1.00 0.00 H new ATOM 0 HA3 GLY A 92 10.168 14.840 -9.065 1.00 0.00 H new ATOM 1410 N GLY A 93 8.631 12.711 -9.922 1.00 0.00 N ATOM 1411 CA GLY A 93 8.383 11.427 -10.551 1.00 0.00 C ATOM 1412 C GLY A 93 8.208 10.311 -9.540 1.00 0.00 C ATOM 1413 O GLY A 93 8.814 10.335 -8.469 1.00 0.00 O ATOM 0 H GLY A 93 8.330 12.777 -8.950 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.489 11.496 -11.170 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.213 11.185 -11.215 1.00 0.00 H new ATOM 1417 N GLU A 94 7.377 9.331 -9.880 1.00 0.00 N ATOM 1418 CA GLU A 94 7.123 8.203 -8.992 1.00 0.00 C ATOM 1419 C GLU A 94 8.430 7.634 -8.447 1.00 0.00 C ATOM 1420 O GLU A 94 9.481 7.752 -9.077 1.00 0.00 O ATOM 1421 CB GLU A 94 6.347 7.109 -9.730 1.00 0.00 C ATOM 1422 CG GLU A 94 4.949 7.532 -10.147 1.00 0.00 C ATOM 1423 CD GLU A 94 4.461 6.797 -11.381 1.00 0.00 C ATOM 1424 OE1 GLU A 94 4.558 5.552 -11.405 1.00 0.00 O ATOM 1425 OE2 GLU A 94 3.983 7.465 -12.321 1.00 0.00 O ATOM 0 H GLU A 94 6.869 9.295 -10.763 1.00 0.00 H new ATOM 0 HA GLU A 94 6.525 8.561 -8.154 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.908 6.812 -10.617 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.276 6.230 -9.089 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.258 7.351 -9.324 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.940 8.605 -10.340 1.00 0.00 H new ATOM 1432 N SER A 95 8.356 7.019 -7.272 1.00 0.00 N ATOM 1433 CA SER A 95 9.533 6.436 -6.639 1.00 0.00 C ATOM 1434 C SER A 95 9.605 4.935 -6.903 1.00 0.00 C ATOM 1435 O SER A 95 8.792 4.385 -7.645 1.00 0.00 O ATOM 1436 CB SER A 95 9.511 6.699 -5.132 1.00 0.00 C ATOM 1437 OG SER A 95 8.821 5.670 -4.444 1.00 0.00 O ATOM 0 H SER A 95 7.493 6.911 -6.739 1.00 0.00 H new ATOM 0 HA SER A 95 10.417 6.906 -7.070 1.00 0.00 H new ATOM 0 HB2 SER A 95 10.532 6.770 -4.757 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.032 7.658 -4.934 1.00 0.00 H new ATOM 0 HG SER A 95 8.276 6.062 -3.730 1.00 0.00 H new ATOM 1443 N GLU A 96 10.584 4.278 -6.288 1.00 0.00 N ATOM 1444 CA GLU A 96 10.763 2.841 -6.458 1.00 0.00 C ATOM 1445 C GLU A 96 9.549 2.076 -5.935 1.00 0.00 C ATOM 1446 O GLU A 96 8.650 2.658 -5.327 1.00 0.00 O ATOM 1447 CB GLU A 96 12.026 2.372 -5.732 1.00 0.00 C ATOM 1448 CG GLU A 96 13.297 3.036 -6.234 1.00 0.00 C ATOM 1449 CD GLU A 96 14.517 2.148 -6.081 1.00 0.00 C ATOM 1450 OE1 GLU A 96 14.819 1.745 -4.938 1.00 0.00 O ATOM 1451 OE2 GLU A 96 15.170 1.857 -7.105 1.00 0.00 O ATOM 0 H GLU A 96 11.264 4.718 -5.668 1.00 0.00 H new ATOM 0 HA GLU A 96 10.868 2.638 -7.524 1.00 0.00 H new ATOM 0 HB2 GLU A 96 11.918 2.572 -4.666 1.00 0.00 H new ATOM 0 HB3 GLU A 96 12.121 1.292 -5.846 1.00 0.00 H new ATOM 0 HG2 GLU A 96 13.174 3.301 -7.284 1.00 0.00 H new ATOM 0 HG3 GLU A 96 13.458 3.965 -5.688 1.00 0.00 H new ATOM 1458 N PHE A 97 9.532 0.770 -6.177 1.00 0.00 N ATOM 1459 CA PHE A 97 8.429 -0.075 -5.733 1.00 0.00 C ATOM 1460 C PHE A 97 8.669 -0.580 -4.313 1.00 0.00 C ATOM 1461 O PHE A 97 9.609 -1.334 -4.062 1.00 0.00 O ATOM 1462 CB PHE A 97 8.251 -1.260 -6.685 1.00 0.00 C ATOM 1463 CG PHE A 97 7.379 -0.952 -7.869 1.00 0.00 C ATOM 1464 CD1 PHE A 97 7.738 0.036 -8.772 1.00 0.00 C ATOM 1465 CD2 PHE A 97 6.200 -1.649 -8.078 1.00 0.00 C ATOM 1466 CE1 PHE A 97 6.939 0.321 -9.863 1.00 0.00 C ATOM 1467 CE2 PHE A 97 5.397 -1.368 -9.167 1.00 0.00 C ATOM 1468 CZ PHE A 97 5.766 -0.381 -10.060 1.00 0.00 C ATOM 0 H PHE A 97 10.269 0.273 -6.678 1.00 0.00 H new ATOM 0 HA PHE A 97 7.519 0.525 -5.738 1.00 0.00 H new ATOM 0 HB2 PHE A 97 9.230 -1.582 -7.039 1.00 0.00 H new ATOM 0 HB3 PHE A 97 7.820 -2.097 -6.135 1.00 0.00 H new ATOM 0 HD1 PHE A 97 8.653 0.590 -8.621 1.00 0.00 H new ATOM 0 HD2 PHE A 97 5.905 -2.421 -7.382 1.00 0.00 H new ATOM 0 HE1 PHE A 97 7.231 1.092 -10.561 1.00 0.00 H new ATOM 0 HE2 PHE A 97 4.481 -1.920 -9.320 1.00 0.00 H new ATOM 0 HZ PHE A 97 5.139 -0.159 -10.910 1.00 0.00 H new ATOM 1478 N SER A 98 7.812 -0.158 -3.389 1.00 0.00 N ATOM 1479 CA SER A 98 7.932 -0.564 -1.993 1.00 0.00 C ATOM 1480 C SER A 98 7.966 -2.084 -1.870 1.00 0.00 C ATOM 1481 O SER A 98 7.631 -2.802 -2.812 1.00 0.00 O ATOM 1482 CB SER A 98 6.769 0.000 -1.175 1.00 0.00 C ATOM 1483 OG SER A 98 6.995 -0.168 0.214 1.00 0.00 O ATOM 0 H SER A 98 7.027 0.465 -3.581 1.00 0.00 H new ATOM 0 HA SER A 98 8.868 -0.165 -1.603 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.641 1.059 -1.401 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.843 -0.501 -1.459 1.00 0.00 H new ATOM 0 HG SER A 98 7.507 0.594 0.557 1.00 0.00 H new ATOM 1489 N ASN A 99 8.373 -2.568 -0.701 1.00 0.00 N ATOM 1490 CA ASN A 99 8.451 -4.003 -0.454 1.00 0.00 C ATOM 1491 C ASN A 99 7.078 -4.654 -0.587 1.00 0.00 C ATOM 1492 O ASN A 99 6.067 -3.970 -0.746 1.00 0.00 O ATOM 1493 CB ASN A 99 9.022 -4.271 0.940 1.00 0.00 C ATOM 1494 CG ASN A 99 8.505 -3.291 1.975 1.00 0.00 C ATOM 1495 OD1 ASN A 99 8.829 -2.104 1.939 1.00 0.00 O ATOM 1496 ND2 ASN A 99 7.695 -3.785 2.905 1.00 0.00 N ATOM 0 H ASN A 99 8.654 -1.988 0.090 1.00 0.00 H new ATOM 0 HA ASN A 99 9.114 -4.439 -1.201 1.00 0.00 H new ATOM 0 HB2 ASN A 99 8.767 -5.286 1.245 1.00 0.00 H new ATOM 0 HB3 ASN A 99 10.110 -4.214 0.901 1.00 0.00 H new ATOM 0 HD21 ASN A 99 7.315 -3.173 3.628 1.00 0.00 H new ATOM 0 HD22 ASN A 99 7.453 -4.776 2.896 1.00 0.00 H new ATOM 1503 N VAL A 100 7.049 -5.982 -0.519 1.00 0.00 N ATOM 1504 CA VAL A 100 5.800 -6.726 -0.630 1.00 0.00 C ATOM 1505 C VAL A 100 5.374 -7.288 0.721 1.00 0.00 C ATOM 1506 O VAL A 100 6.104 -8.062 1.340 1.00 0.00 O ATOM 1507 CB VAL A 100 5.924 -7.882 -1.640 1.00 0.00 C ATOM 1508 CG1 VAL A 100 4.620 -8.661 -1.722 1.00 0.00 C ATOM 1509 CG2 VAL A 100 6.326 -7.353 -3.008 1.00 0.00 C ATOM 0 H VAL A 100 7.876 -6.564 -0.388 1.00 0.00 H new ATOM 0 HA VAL A 100 5.043 -6.025 -0.983 1.00 0.00 H new ATOM 0 HB VAL A 100 6.704 -8.561 -1.295 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.726 -9.474 -2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.380 -9.072 -0.742 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.818 -7.996 -2.043 1.00 0.00 H new ATOM 0 HG21 VAL A 100 6.409 -8.183 -3.709 1.00 0.00 H new ATOM 0 HG22 VAL A 100 5.571 -6.652 -3.363 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.287 -6.844 -2.933 1.00 0.00 H new ATOM 1519 N MET A 101 4.188 -6.895 1.172 1.00 0.00 N ATOM 1520 CA MET A 101 3.663 -7.362 2.451 1.00 0.00 C ATOM 1521 C MET A 101 2.451 -8.264 2.244 1.00 0.00 C ATOM 1522 O MET A 101 1.460 -7.857 1.636 1.00 0.00 O ATOM 1523 CB MET A 101 3.284 -6.173 3.336 1.00 0.00 C ATOM 1524 CG MET A 101 4.451 -5.250 3.646 1.00 0.00 C ATOM 1525 SD MET A 101 5.691 -6.028 4.698 1.00 0.00 S ATOM 1526 CE MET A 101 5.101 -5.557 6.322 1.00 0.00 C ATOM 0 H MET A 101 3.572 -6.254 0.672 1.00 0.00 H new ATOM 0 HA MET A 101 4.443 -7.940 2.947 1.00 0.00 H new ATOM 0 HB2 MET A 101 2.499 -5.600 2.843 1.00 0.00 H new ATOM 0 HB3 MET A 101 2.867 -6.545 4.272 1.00 0.00 H new ATOM 0 HG2 MET A 101 4.918 -4.935 2.713 1.00 0.00 H new ATOM 0 HG3 MET A 101 4.078 -4.350 4.135 1.00 0.00 H new ATOM 0 HE1 MET A 101 5.813 -4.872 6.783 1.00 0.00 H new ATOM 0 HE2 MET A 101 4.132 -5.066 6.229 1.00 0.00 H new ATOM 0 HE3 MET A 101 4.998 -6.446 6.944 1.00 0.00 H new ATOM 1536 N ILE A 102 2.537 -9.489 2.752 1.00 0.00 N ATOM 1537 CA ILE A 102 1.446 -10.447 2.623 1.00 0.00 C ATOM 1538 C ILE A 102 0.510 -10.380 3.825 1.00 0.00 C ATOM 1539 O ILE A 102 0.795 -10.951 4.879 1.00 0.00 O ATOM 1540 CB ILE A 102 1.975 -11.886 2.478 1.00 0.00 C ATOM 1541 CG1 ILE A 102 2.864 -12.003 1.238 1.00 0.00 C ATOM 1542 CG2 ILE A 102 0.817 -12.870 2.401 1.00 0.00 C ATOM 1543 CD1 ILE A 102 3.698 -13.265 1.209 1.00 0.00 C ATOM 0 H ILE A 102 3.351 -9.841 3.256 1.00 0.00 H new ATOM 0 HA ILE A 102 0.895 -10.178 1.722 1.00 0.00 H new ATOM 0 HB ILE A 102 2.574 -12.128 3.356 1.00 0.00 H new ATOM 0 HG12 ILE A 102 2.237 -11.971 0.347 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.526 -11.138 1.193 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.206 -13.883 2.299 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.220 -12.801 3.310 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.194 -12.632 1.539 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.303 -13.281 0.302 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.351 -13.290 2.081 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.042 -14.135 1.222 1.00 0.00 H new ATOM 1555 N CYS A 103 -0.607 -9.681 3.660 1.00 0.00 N ATOM 1556 CA CYS A 103 -1.587 -9.540 4.732 1.00 0.00 C ATOM 1557 C CYS A 103 -2.849 -10.338 4.423 1.00 0.00 C ATOM 1558 O CYS A 103 -3.605 -9.995 3.514 1.00 0.00 O ATOM 1559 CB CYS A 103 -1.938 -8.066 4.939 1.00 0.00 C ATOM 1560 SG CYS A 103 -2.693 -7.706 6.542 1.00 0.00 S ATOM 0 H CYS A 103 -0.857 -9.203 2.794 1.00 0.00 H new ATOM 0 HA CYS A 103 -1.146 -9.933 5.648 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -1.032 -7.469 4.834 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -2.620 -7.751 4.149 1.00 0.00 H new ATOM 0 HG CYS A 103 -2.952 -6.435 6.624 1.00 0.00 H new ATOM 1566 N GLU A 104 -3.070 -11.405 5.185 1.00 0.00 N ATOM 1567 CA GLU A 104 -4.240 -12.253 4.990 1.00 0.00 C ATOM 1568 C GLU A 104 -5.480 -11.622 5.617 1.00 0.00 C ATOM 1569 O GLU A 104 -5.461 -11.205 6.776 1.00 0.00 O ATOM 1570 CB GLU A 104 -3.999 -13.638 5.592 1.00 0.00 C ATOM 1571 CG GLU A 104 -4.806 -14.740 4.927 1.00 0.00 C ATOM 1572 CD GLU A 104 -5.128 -15.881 5.873 1.00 0.00 C ATOM 1573 OE1 GLU A 104 -5.092 -15.662 7.101 1.00 0.00 O ATOM 1574 OE2 GLU A 104 -5.417 -16.993 5.383 1.00 0.00 O ATOM 0 H GLU A 104 -2.455 -11.702 5.942 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.408 -12.355 3.918 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -2.939 -13.879 5.515 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.243 -13.611 6.654 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.735 -14.321 4.540 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.250 -15.127 4.073 1.00 0.00 H new ATOM 1581 N THR A 105 -6.558 -11.553 4.842 1.00 0.00 N ATOM 1582 CA THR A 105 -7.806 -10.972 5.319 1.00 0.00 C ATOM 1583 C THR A 105 -8.454 -11.854 6.380 1.00 0.00 C ATOM 1584 O THR A 105 -7.959 -12.939 6.686 1.00 0.00 O ATOM 1585 CB THR A 105 -8.804 -10.759 4.165 1.00 0.00 C ATOM 1586 OG1 THR A 105 -8.815 -11.907 3.309 1.00 0.00 O ATOM 1587 CG2 THR A 105 -8.443 -9.521 3.358 1.00 0.00 C ATOM 0 H THR A 105 -6.591 -11.893 3.881 1.00 0.00 H new ATOM 0 HA THR A 105 -7.557 -10.006 5.757 1.00 0.00 H new ATOM 0 HB THR A 105 -9.796 -10.616 4.594 1.00 0.00 H new ATOM 0 HG1 THR A 105 -9.268 -11.684 2.469 1.00 0.00 H new ATOM 0 HG21 THR A 105 -9.162 -9.392 2.549 1.00 0.00 H new ATOM 0 HG22 THR A 105 -8.465 -8.645 4.006 1.00 0.00 H new ATOM 0 HG23 THR A 105 -7.443 -9.638 2.940 1.00 0.00 H new ATOM 1595 N LYS A 106 -9.564 -11.383 6.937 1.00 0.00 N ATOM 1596 CA LYS A 106 -10.282 -12.130 7.963 1.00 0.00 C ATOM 1597 C LYS A 106 -11.229 -13.147 7.333 1.00 0.00 C ATOM 1598 O LYS A 106 -11.679 -12.972 6.201 1.00 0.00 O ATOM 1599 CB LYS A 106 -11.068 -11.174 8.863 1.00 0.00 C ATOM 1600 CG LYS A 106 -10.197 -10.152 9.573 1.00 0.00 C ATOM 1601 CD LYS A 106 -9.713 -10.670 10.917 1.00 0.00 C ATOM 1602 CE LYS A 106 -8.360 -10.081 11.287 1.00 0.00 C ATOM 1603 NZ LYS A 106 -7.235 -10.919 10.787 1.00 0.00 N ATOM 0 H LYS A 106 -9.986 -10.487 6.695 1.00 0.00 H new ATOM 0 HA LYS A 106 -9.550 -12.667 8.566 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.811 -10.650 8.261 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.613 -11.755 9.608 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.340 -9.906 8.947 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.761 -9.231 9.719 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -10.442 -10.421 11.688 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.641 -11.757 10.885 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -8.276 -9.076 10.873 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -8.289 -9.987 12.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.330 -10.484 11.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -7.300 -11.871 11.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.288 -10.988 9.751 1.00 0.00 H new ATOM 1617 N ALA A 107 -11.529 -14.209 8.075 1.00 0.00 N ATOM 1618 CA ALA A 107 -12.425 -15.251 7.590 1.00 0.00 C ATOM 1619 C ALA A 107 -13.875 -14.778 7.604 1.00 0.00 C ATOM 1620 O ALA A 107 -14.341 -14.203 8.588 1.00 0.00 O ATOM 1621 CB ALA A 107 -12.271 -16.511 8.428 1.00 0.00 C ATOM 0 H ALA A 107 -11.164 -14.370 9.014 1.00 0.00 H new ATOM 0 HA ALA A 107 -12.154 -15.478 6.559 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -12.946 -17.281 8.055 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -11.243 -16.867 8.364 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -12.513 -16.289 9.467 1.00 0.00 H new ATOM 1627 N ARG A 108 -14.583 -15.023 6.506 1.00 0.00 N ATOM 1628 CA ARG A 108 -15.979 -14.621 6.392 1.00 0.00 C ATOM 1629 C ARG A 108 -16.895 -15.638 7.067 1.00 0.00 C ATOM 1630 O ARG A 108 -17.961 -15.968 6.548 1.00 0.00 O ATOM 1631 CB ARG A 108 -16.368 -14.465 4.921 1.00 0.00 C ATOM 1632 CG ARG A 108 -16.193 -15.736 4.106 1.00 0.00 C ATOM 1633 CD ARG A 108 -17.187 -15.804 2.957 1.00 0.00 C ATOM 1634 NE ARG A 108 -16.954 -16.962 2.099 1.00 0.00 N ATOM 1635 CZ ARG A 108 -17.534 -17.129 0.916 1.00 0.00 C ATOM 1636 NH1 ARG A 108 -18.376 -16.216 0.452 1.00 0.00 N ATOM 1637 NH2 ARG A 108 -17.271 -18.210 0.193 1.00 0.00 N ATOM 0 H ARG A 108 -14.212 -15.498 5.683 1.00 0.00 H new ATOM 0 HA ARG A 108 -16.097 -13.662 6.896 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -17.408 -14.146 4.861 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -15.765 -13.673 4.477 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -15.177 -15.780 3.713 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -16.323 -16.604 4.752 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -18.200 -15.847 3.356 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -17.117 -14.893 2.363 1.00 0.00 H new ATOM 0 HE ARG A 108 -16.310 -17.682 2.426 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -18.580 -15.383 1.004 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -18.820 -16.347 -0.457 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -16.623 -18.914 0.546 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -17.717 -18.337 -0.715 1.00 0.00 H new