USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 495 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 Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -97:sc= 0.199 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0784 X(o=-0.078,f=-0.038) USER MOD Single : A 22 THR OG1 : rot 32:sc= 0.161 USER MOD Single : A 27 GLN : amide:sc= -0.348 K(o=-0.35,f=-0.85) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -0.0426 X(o=-0.043,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -101:sc= -1.26 (180deg=-3.69!) USER MOD Single : A 52 SER OG : rot 76:sc= -0.133 USER MOD Single : A 54 GLN : amide:sc= -0.932 K(o=-0.93,f=-2.5!) USER MOD Single : A 58 SER OG : rot -118:sc= 0.0146 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 22 N PHE A 2 10.126 5.778 -5.394 1.00 0.00 N ATOM 23 CA PHE A 2 8.758 5.983 -4.924 1.00 0.00 C ATOM 24 C PHE A 2 8.728 6.211 -3.414 1.00 0.00 C ATOM 25 O PHE A 2 9.769 6.406 -2.786 1.00 0.00 O ATOM 26 CB PHE A 2 7.883 4.785 -5.300 1.00 0.00 C ATOM 27 CG PHE A 2 7.850 4.510 -6.776 1.00 0.00 C ATOM 28 CD1 PHE A 2 6.947 5.165 -7.599 1.00 0.00 C ATOM 29 CD2 PHE A 2 8.724 3.596 -7.341 1.00 0.00 C ATOM 30 CE1 PHE A 2 6.917 4.914 -8.957 1.00 0.00 C ATOM 31 CE2 PHE A 2 8.699 3.341 -8.699 1.00 0.00 C ATOM 32 CZ PHE A 2 7.794 4.000 -9.509 1.00 0.00 C ATOM 0 HA PHE A 2 8.361 6.874 -5.409 1.00 0.00 H new ATOM 0 HB2 PHE A 2 8.250 3.899 -4.781 1.00 0.00 H new ATOM 0 HB3 PHE A 2 6.867 4.962 -4.948 1.00 0.00 H new ATOM 0 HD1 PHE A 2 6.259 5.880 -7.173 1.00 0.00 H new ATOM 0 HD2 PHE A 2 9.433 3.077 -6.713 1.00 0.00 H new ATOM 0 HE1 PHE A 2 6.209 5.432 -9.587 1.00 0.00 H new ATOM 0 HE2 PHE A 2 9.387 2.627 -9.127 1.00 0.00 H new ATOM 0 HZ PHE A 2 7.772 3.801 -10.570 1.00 0.00 H new ATOM 42 N ASP A 3 7.529 6.189 -2.834 1.00 0.00 N ATOM 43 CA ASP A 3 7.374 6.407 -1.397 1.00 0.00 C ATOM 44 C ASP A 3 6.680 5.227 -0.721 1.00 0.00 C ATOM 45 O ASP A 3 5.486 5.004 -0.912 1.00 0.00 O ATOM 46 CB ASP A 3 6.579 7.689 -1.145 1.00 0.00 C ATOM 47 CG ASP A 3 7.221 8.904 -1.784 1.00 0.00 C ATOM 48 OD1 ASP A 3 6.962 9.153 -2.980 1.00 0.00 O ATOM 49 OD2 ASP A 3 7.984 9.609 -1.088 1.00 0.00 O ATOM 0 H ASP A 3 6.655 6.023 -3.334 1.00 0.00 H new ATOM 0 HA ASP A 3 8.371 6.503 -0.966 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.568 7.569 -1.535 1.00 0.00 H new ATOM 0 HB3 ASP A 3 6.489 7.852 -0.071 1.00 0.00 H new ATOM 54 N ILE A 4 7.434 4.483 0.083 1.00 0.00 N ATOM 55 CA ILE A 4 6.897 3.331 0.798 1.00 0.00 C ATOM 56 C ILE A 4 6.229 3.752 2.105 1.00 0.00 C ATOM 57 O ILE A 4 6.766 4.564 2.857 1.00 0.00 O ATOM 58 CB ILE A 4 8.009 2.314 1.118 1.00 0.00 C ATOM 59 CG1 ILE A 4 8.813 1.987 -0.142 1.00 0.00 C ATOM 60 CG2 ILE A 4 7.411 1.049 1.712 1.00 0.00 C ATOM 61 CD1 ILE A 4 10.083 1.210 0.135 1.00 0.00 C ATOM 0 H ILE A 4 8.424 4.659 0.256 1.00 0.00 H new ATOM 0 HA ILE A 4 6.155 2.870 0.146 1.00 0.00 H new ATOM 0 HB ILE A 4 8.684 2.756 1.851 1.00 0.00 H new ATOM 0 HG12 ILE A 4 8.186 1.412 -0.824 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.069 2.916 -0.651 1.00 0.00 H new ATOM 0 HG21 ILE A 4 8.208 0.339 1.933 1.00 0.00 H new ATOM 0 HG22 ILE A 4 6.879 1.295 2.631 1.00 0.00 H new ATOM 0 HG23 ILE A 4 6.717 0.605 0.998 1.00 0.00 H new ATOM 0 HD11 ILE A 4 10.601 1.014 -0.804 1.00 0.00 H new ATOM 0 HD12 ILE A 4 10.730 1.792 0.792 1.00 0.00 H new ATOM 0 HD13 ILE A 4 9.833 0.264 0.616 1.00 0.00 H new ATOM 73 N TYR A 5 5.052 3.187 2.365 1.00 0.00 N ATOM 74 CA TYR A 5 4.300 3.489 3.579 1.00 0.00 C ATOM 75 C TYR A 5 4.076 2.222 4.399 1.00 0.00 C ATOM 76 O TYR A 5 3.660 1.193 3.866 1.00 0.00 O ATOM 77 CB TYR A 5 2.955 4.127 3.227 1.00 0.00 C ATOM 78 CG TYR A 5 3.079 5.471 2.545 1.00 0.00 C ATOM 79 CD1 TYR A 5 3.314 5.559 1.180 1.00 0.00 C ATOM 80 CD2 TYR A 5 2.958 6.652 3.267 1.00 0.00 C ATOM 81 CE1 TYR A 5 3.427 6.785 0.553 1.00 0.00 C ATOM 82 CE2 TYR A 5 3.067 7.882 2.648 1.00 0.00 C ATOM 83 CZ TYR A 5 3.302 7.943 1.291 1.00 0.00 C ATOM 84 OH TYR A 5 3.411 9.166 0.669 1.00 0.00 O ATOM 0 H TYR A 5 4.597 2.514 1.747 1.00 0.00 H new ATOM 0 HA TYR A 5 4.880 4.194 4.175 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.401 3.450 2.577 1.00 0.00 H new ATOM 0 HB3 TYR A 5 2.369 4.245 4.139 1.00 0.00 H new ATOM 0 HD1 TYR A 5 3.410 4.654 0.598 1.00 0.00 H new ATOM 0 HD2 TYR A 5 2.776 6.607 4.331 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.612 6.836 -0.510 1.00 0.00 H new ATOM 0 HE2 TYR A 5 2.969 8.790 3.224 1.00 0.00 H new ATOM 0 HH TYR A 5 3.297 9.880 1.330 1.00 0.00 H new ATOM 94 N VAL A 6 4.354 2.303 5.696 1.00 0.00 N ATOM 95 CA VAL A 6 4.185 1.159 6.583 1.00 0.00 C ATOM 96 C VAL A 6 2.808 1.171 7.242 1.00 0.00 C ATOM 97 O VAL A 6 2.292 2.227 7.609 1.00 0.00 O ATOM 98 CB VAL A 6 5.272 1.131 7.678 1.00 0.00 C ATOM 99 CG1 VAL A 6 5.209 2.387 8.532 1.00 0.00 C ATOM 100 CG2 VAL A 6 5.135 -0.116 8.538 1.00 0.00 C ATOM 0 H VAL A 6 4.697 3.147 6.155 1.00 0.00 H new ATOM 0 HA VAL A 6 4.279 0.264 5.968 1.00 0.00 H new ATOM 0 HB VAL A 6 6.247 1.102 7.191 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.984 2.346 9.297 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.366 3.263 7.903 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.231 2.454 9.009 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.911 -0.117 9.304 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.155 -0.124 9.014 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.242 -1.003 7.913 1.00 0.00 H new ATOM 110 N VAL A 7 2.216 -0.012 7.383 1.00 0.00 N ATOM 111 CA VAL A 7 0.901 -0.144 7.999 1.00 0.00 C ATOM 112 C VAL A 7 1.029 -0.452 9.488 1.00 0.00 C ATOM 113 O VAL A 7 1.664 -1.433 9.874 1.00 0.00 O ATOM 114 CB VAL A 7 0.072 -1.253 7.327 1.00 0.00 C ATOM 115 CG1 VAL A 7 -1.345 -1.274 7.880 1.00 0.00 C ATOM 116 CG2 VAL A 7 0.060 -1.070 5.817 1.00 0.00 C ATOM 0 H VAL A 7 2.628 -0.894 7.078 1.00 0.00 H new ATOM 0 HA VAL A 7 0.389 0.809 7.865 1.00 0.00 H new ATOM 0 HB VAL A 7 0.537 -2.213 7.551 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.914 -2.065 7.392 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.314 -1.459 8.954 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.824 -0.313 7.691 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.531 -1.863 5.359 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.378 -0.103 5.571 1.00 0.00 H new ATOM 0 HG23 VAL A 7 1.081 -1.113 5.437 1.00 0.00 H new ATOM 126 N THR A 8 0.420 0.388 10.317 1.00 0.00 N ATOM 127 CA THR A 8 0.473 0.204 11.763 1.00 0.00 C ATOM 128 C THR A 8 -0.917 0.275 12.384 1.00 0.00 C ATOM 129 O THR A 8 -1.057 0.406 13.600 1.00 0.00 O ATOM 130 CB THR A 8 1.374 1.262 12.427 1.00 0.00 C ATOM 131 OG1 THR A 8 0.899 2.578 12.115 1.00 0.00 O ATOM 132 CG2 THR A 8 2.814 1.116 11.961 1.00 0.00 C ATOM 0 H THR A 8 -0.115 1.202 10.014 1.00 0.00 H new ATOM 0 HA THR A 8 0.892 -0.787 11.939 1.00 0.00 H new ATOM 0 HB THR A 8 1.339 1.109 13.506 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.403 2.936 11.355 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.431 1.874 12.443 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.183 0.125 12.225 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.861 1.244 10.880 1.00 0.00 H new ATOM 140 N ALA A 9 -1.943 0.180 11.544 1.00 0.00 N ATOM 141 CA ALA A 9 -3.321 0.234 12.017 1.00 0.00 C ATOM 142 C ALA A 9 -4.092 -1.021 11.621 1.00 0.00 C ATOM 143 O ALA A 9 -5.289 -1.133 11.886 1.00 0.00 O ATOM 144 CB ALA A 9 -4.015 1.475 11.476 1.00 0.00 C ATOM 0 H ALA A 9 -1.846 0.066 10.535 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.302 0.285 13.106 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.043 1.503 11.837 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.486 2.365 11.817 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.013 1.447 10.386 1.00 0.00 H new ATOM 150 N ASP A 10 -3.397 -1.964 10.987 1.00 0.00 N ATOM 151 CA ASP A 10 -4.014 -3.215 10.553 1.00 0.00 C ATOM 152 C ASP A 10 -5.262 -2.942 9.716 1.00 0.00 C ATOM 153 O ASP A 10 -6.384 -3.206 10.152 1.00 0.00 O ATOM 154 CB ASP A 10 -4.372 -4.081 11.762 1.00 0.00 C ATOM 155 CG ASP A 10 -4.885 -5.453 11.362 1.00 0.00 C ATOM 156 OD1 ASP A 10 -4.050 -6.334 11.066 1.00 0.00 O ATOM 157 OD2 ASP A 10 -6.118 -5.645 11.348 1.00 0.00 O ATOM 0 H ASP A 10 -2.405 -1.885 10.763 1.00 0.00 H new ATOM 0 HA ASP A 10 -3.294 -3.752 9.935 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -3.493 -4.196 12.396 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.130 -3.572 12.358 1.00 0.00 H new ATOM 162 N TYR A 11 -5.062 -2.403 8.518 1.00 0.00 N ATOM 163 CA TYR A 11 -6.174 -2.095 7.625 1.00 0.00 C ATOM 164 C TYR A 11 -6.553 -3.311 6.788 1.00 0.00 C ATOM 165 O TYR A 11 -5.949 -3.575 5.748 1.00 0.00 O ATOM 166 CB TYR A 11 -5.818 -0.918 6.713 1.00 0.00 C ATOM 167 CG TYR A 11 -6.972 -0.444 5.857 1.00 0.00 C ATOM 168 CD1 TYR A 11 -8.007 0.304 6.406 1.00 0.00 C ATOM 169 CD2 TYR A 11 -7.026 -0.743 4.501 1.00 0.00 C ATOM 170 CE1 TYR A 11 -9.063 0.741 5.628 1.00 0.00 C ATOM 171 CE2 TYR A 11 -8.080 -0.310 3.716 1.00 0.00 C ATOM 172 CZ TYR A 11 -9.094 0.432 4.284 1.00 0.00 C ATOM 173 OH TYR A 11 -10.144 0.866 3.507 1.00 0.00 O ATOM 0 H TYR A 11 -4.142 -2.171 8.143 1.00 0.00 H new ATOM 0 HA TYR A 11 -7.032 -1.819 8.238 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -5.466 -0.088 7.326 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -4.991 -1.209 6.065 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -7.986 0.548 7.458 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -6.233 -1.323 4.053 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -9.859 1.321 6.070 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -8.108 -0.552 2.664 1.00 0.00 H new ATOM 0 HH TYR A 11 -10.014 0.565 2.583 1.00 0.00 H new ATOM 183 N LEU A 12 -7.553 -4.050 7.253 1.00 0.00 N ATOM 184 CA LEU A 12 -8.014 -5.241 6.552 1.00 0.00 C ATOM 185 C LEU A 12 -9.391 -5.005 5.928 1.00 0.00 C ATOM 186 O LEU A 12 -10.340 -4.657 6.632 1.00 0.00 O ATOM 187 CB LEU A 12 -8.075 -6.431 7.513 1.00 0.00 C ATOM 188 CG LEU A 12 -8.457 -7.766 6.871 1.00 0.00 C ATOM 189 CD1 LEU A 12 -7.387 -8.215 5.888 1.00 0.00 C ATOM 190 CD2 LEU A 12 -8.680 -8.825 7.940 1.00 0.00 C ATOM 0 H LEU A 12 -8.060 -3.845 8.114 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.305 -5.462 5.754 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.102 -6.541 7.992 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.794 -6.205 8.300 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.388 -7.629 6.321 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.678 -9.166 5.443 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.276 -7.466 5.104 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.439 -8.335 6.412 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.951 -9.769 7.466 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.765 -8.958 8.517 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.484 -8.508 8.604 1.00 0.00 H new ATOM 202 N PRO A 13 -9.525 -5.192 4.600 1.00 0.00 N ATOM 203 CA PRO A 13 -10.802 -4.997 3.903 1.00 0.00 C ATOM 204 C PRO A 13 -11.906 -5.883 4.462 1.00 0.00 C ATOM 205 O PRO A 13 -11.649 -7.002 4.910 1.00 0.00 O ATOM 206 CB PRO A 13 -10.492 -5.397 2.458 1.00 0.00 C ATOM 207 CG PRO A 13 -9.018 -5.243 2.325 1.00 0.00 C ATOM 208 CD PRO A 13 -8.450 -5.592 3.671 1.00 0.00 C ATOM 0 HA PRO A 13 -11.165 -3.975 4.009 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.802 -6.423 2.257 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.021 -4.760 1.750 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.624 -5.901 1.551 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -8.755 -4.224 2.041 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.224 -6.655 3.750 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -7.524 -5.053 3.870 1.00 0.00 H new ATOM 216 N LEU A 14 -13.135 -5.380 4.433 1.00 0.00 N ATOM 217 CA LEU A 14 -14.275 -6.135 4.934 1.00 0.00 C ATOM 218 C LEU A 14 -14.980 -6.856 3.792 1.00 0.00 C ATOM 219 O LEU A 14 -15.812 -6.274 3.096 1.00 0.00 O ATOM 220 CB LEU A 14 -15.261 -5.212 5.655 1.00 0.00 C ATOM 221 CG LEU A 14 -14.674 -4.413 6.822 1.00 0.00 C ATOM 222 CD1 LEU A 14 -13.950 -3.175 6.316 1.00 0.00 C ATOM 223 CD2 LEU A 14 -15.769 -4.029 7.804 1.00 0.00 C ATOM 0 H LEU A 14 -13.366 -4.456 4.069 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.905 -6.874 5.644 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -15.676 -4.513 4.929 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -16.090 -5.813 6.028 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.950 -5.042 7.340 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -13.541 -2.622 7.161 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -13.140 -3.474 5.651 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -14.650 -2.541 5.772 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -15.336 -3.462 8.628 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -16.516 -3.419 7.296 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -16.241 -4.931 8.193 1.00 0.00 H new ATOM 235 N GLY A 15 -14.633 -8.123 3.604 1.00 0.00 N ATOM 236 CA GLY A 15 -15.243 -8.912 2.549 1.00 0.00 C ATOM 237 C GLY A 15 -14.487 -8.806 1.240 1.00 0.00 C ATOM 238 O GLY A 15 -13.426 -8.185 1.176 1.00 0.00 O ATOM 0 H GLY A 15 -13.939 -8.619 4.163 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -15.285 -9.956 2.858 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -16.271 -8.582 2.400 1.00 0.00 H new ATOM 242 N ALA A 16 -15.033 -9.415 0.193 1.00 0.00 N ATOM 243 CA ALA A 16 -14.400 -9.387 -1.120 1.00 0.00 C ATOM 244 C ALA A 16 -14.818 -8.148 -1.904 1.00 0.00 C ATOM 245 O ALA A 16 -15.941 -8.065 -2.400 1.00 0.00 O ATOM 246 CB ALA A 16 -14.742 -10.648 -1.898 1.00 0.00 C ATOM 0 H ALA A 16 -15.911 -9.933 0.228 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.320 -9.346 -0.975 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -14.263 -10.613 -2.876 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -14.387 -11.521 -1.351 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -15.822 -10.715 -2.026 1.00 0.00 H new ATOM 252 N GLU A 17 -13.904 -7.188 -2.010 1.00 0.00 N ATOM 253 CA GLU A 17 -14.172 -5.952 -2.736 1.00 0.00 C ATOM 254 C GLU A 17 -13.362 -5.896 -4.026 1.00 0.00 C ATOM 255 O GLU A 17 -12.259 -6.437 -4.103 1.00 0.00 O ATOM 256 CB GLU A 17 -13.846 -4.739 -1.864 1.00 0.00 C ATOM 257 CG GLU A 17 -14.759 -4.595 -0.658 1.00 0.00 C ATOM 258 CD GLU A 17 -16.201 -4.332 -1.048 1.00 0.00 C ATOM 259 OE1 GLU A 17 -16.567 -3.147 -1.201 1.00 0.00 O ATOM 260 OE2 GLU A 17 -16.964 -5.309 -1.200 1.00 0.00 O ATOM 0 H GLU A 17 -12.971 -7.243 -1.602 1.00 0.00 H new ATOM 0 HA GLU A 17 -15.232 -5.932 -2.989 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.814 -4.815 -1.521 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -13.915 -3.836 -2.471 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -14.708 -5.503 -0.058 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -14.401 -3.778 -0.031 1.00 0.00 H new ATOM 267 N GLN A 18 -13.917 -5.238 -5.038 1.00 0.00 N ATOM 268 CA GLN A 18 -13.250 -5.112 -6.327 1.00 0.00 C ATOM 269 C GLN A 18 -12.190 -4.017 -6.290 1.00 0.00 C ATOM 270 O GLN A 18 -12.358 -2.999 -5.617 1.00 0.00 O ATOM 271 CB GLN A 18 -14.274 -4.813 -7.423 1.00 0.00 C ATOM 272 CG GLN A 18 -15.375 -5.856 -7.525 1.00 0.00 C ATOM 273 CD GLN A 18 -14.845 -7.232 -7.881 1.00 0.00 C ATOM 274 OE1 GLN A 18 -14.742 -7.584 -9.056 1.00 0.00 O ATOM 275 NE2 GLN A 18 -14.505 -8.018 -6.865 1.00 0.00 N ATOM 0 H GLN A 18 -14.829 -4.783 -4.989 1.00 0.00 H new ATOM 0 HA GLN A 18 -12.756 -6.058 -6.547 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -14.724 -3.839 -7.233 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -13.759 -4.745 -8.381 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -15.908 -5.911 -6.576 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -16.098 -5.543 -8.278 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -14.607 -7.685 -5.906 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -14.142 -8.954 -7.044 1.00 0.00 H new ATOM 284 N ASP A 19 -11.096 -4.238 -7.017 1.00 0.00 N ATOM 285 CA ASP A 19 -10.000 -3.276 -7.076 1.00 0.00 C ATOM 286 C ASP A 19 -9.432 -3.008 -5.685 1.00 0.00 C ATOM 287 O ASP A 19 -8.821 -1.967 -5.445 1.00 0.00 O ATOM 288 CB ASP A 19 -10.474 -1.964 -7.708 1.00 0.00 C ATOM 289 CG ASP A 19 -11.069 -2.168 -9.089 1.00 0.00 C ATOM 290 OD1 ASP A 19 -10.293 -2.245 -10.064 1.00 0.00 O ATOM 291 OD2 ASP A 19 -12.311 -2.250 -9.193 1.00 0.00 O ATOM 0 H ASP A 19 -10.946 -5.079 -7.575 1.00 0.00 H new ATOM 0 HA ASP A 19 -9.211 -3.704 -7.694 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -11.218 -1.500 -7.060 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.634 -1.273 -7.776 1.00 0.00 H new ATOM 296 N ALA A 20 -9.633 -3.958 -4.776 1.00 0.00 N ATOM 297 CA ALA A 20 -9.142 -3.825 -3.409 1.00 0.00 C ATOM 298 C ALA A 20 -7.961 -4.756 -3.150 1.00 0.00 C ATOM 299 O ALA A 20 -7.732 -5.709 -3.895 1.00 0.00 O ATOM 300 CB ALA A 20 -10.259 -4.110 -2.416 1.00 0.00 C ATOM 0 H ALA A 20 -10.132 -4.828 -4.962 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.799 -2.799 -3.276 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.878 -4.007 -1.400 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.073 -3.402 -2.571 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.627 -5.125 -2.564 1.00 0.00 H new ATOM 306 N ILE A 21 -7.216 -4.471 -2.086 1.00 0.00 N ATOM 307 CA ILE A 21 -6.059 -5.278 -1.718 1.00 0.00 C ATOM 308 C ILE A 21 -5.969 -5.437 -0.202 1.00 0.00 C ATOM 309 O ILE A 21 -6.235 -4.496 0.546 1.00 0.00 O ATOM 310 CB ILE A 21 -4.749 -4.658 -2.246 1.00 0.00 C ATOM 311 CG1 ILE A 21 -3.541 -5.481 -1.784 1.00 0.00 C ATOM 312 CG2 ILE A 21 -4.623 -3.215 -1.782 1.00 0.00 C ATOM 313 CD1 ILE A 21 -2.226 -5.013 -2.370 1.00 0.00 C ATOM 0 H ILE A 21 -7.395 -3.684 -1.462 1.00 0.00 H new ATOM 0 HA ILE A 21 -6.191 -6.258 -2.176 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.774 -4.669 -3.336 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.479 -5.440 -0.697 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.699 -6.525 -2.055 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.694 -2.790 -2.162 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.467 -2.637 -2.158 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.618 -3.182 -0.693 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.417 -5.642 -1.998 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.268 -5.080 -3.457 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.045 -3.979 -2.077 1.00 0.00 H new ATOM 325 N THR A 22 -5.593 -6.632 0.243 1.00 0.00 N ATOM 326 CA THR A 22 -5.473 -6.913 1.668 1.00 0.00 C ATOM 327 C THR A 22 -4.113 -6.481 2.207 1.00 0.00 C ATOM 328 O THR A 22 -3.072 -6.838 1.656 1.00 0.00 O ATOM 329 CB THR A 22 -5.674 -8.411 1.962 1.00 0.00 C ATOM 330 OG1 THR A 22 -4.696 -9.185 1.258 1.00 0.00 O ATOM 331 CG2 THR A 22 -7.070 -8.858 1.557 1.00 0.00 C ATOM 0 H THR A 22 -5.366 -7.421 -0.363 1.00 0.00 H new ATOM 0 HA THR A 22 -6.255 -6.341 2.167 1.00 0.00 H new ATOM 0 HB THR A 22 -5.556 -8.568 3.034 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.865 -8.671 1.182 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.189 -9.920 1.774 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.811 -8.288 2.117 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.211 -8.688 0.490 1.00 0.00 H new ATOM 339 N LEU A 23 -4.133 -5.709 3.291 1.00 0.00 N ATOM 340 CA LEU A 23 -2.904 -5.227 3.914 1.00 0.00 C ATOM 341 C LEU A 23 -2.672 -5.904 5.259 1.00 0.00 C ATOM 342 O LEU A 23 -3.581 -6.506 5.830 1.00 0.00 O ATOM 343 CB LEU A 23 -2.960 -3.709 4.104 1.00 0.00 C ATOM 344 CG LEU A 23 -2.653 -2.884 2.853 1.00 0.00 C ATOM 345 CD1 LEU A 23 -2.916 -1.409 3.112 1.00 0.00 C ATOM 346 CD2 LEU A 23 -1.211 -3.098 2.416 1.00 0.00 C ATOM 0 H LEU A 23 -4.988 -5.404 3.756 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.075 -5.475 3.252 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.954 -3.440 4.462 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.253 -3.430 4.886 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.311 -3.216 2.050 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.693 -0.836 2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.963 -1.268 3.382 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.281 -1.064 3.928 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.009 -2.504 1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.539 -2.791 3.217 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.051 -4.153 2.193 1.00 0.00 H new ATOM 358 N ARG A 24 -1.445 -5.800 5.759 1.00 0.00 N ATOM 359 CA ARG A 24 -1.084 -6.395 7.040 1.00 0.00 C ATOM 360 C ARG A 24 -0.294 -5.408 7.889 1.00 0.00 C ATOM 361 O ARG A 24 0.639 -4.765 7.406 1.00 0.00 O ATOM 362 CB ARG A 24 -0.266 -7.670 6.825 1.00 0.00 C ATOM 363 CG ARG A 24 -1.053 -8.800 6.181 1.00 0.00 C ATOM 364 CD ARG A 24 -2.106 -9.358 7.126 1.00 0.00 C ATOM 365 NE ARG A 24 -1.519 -9.829 8.379 1.00 0.00 N ATOM 366 CZ ARG A 24 -1.950 -10.900 9.040 1.00 0.00 C ATOM 367 NH1 ARG A 24 -2.962 -11.613 8.567 1.00 0.00 N ATOM 368 NH2 ARG A 24 -1.366 -11.260 10.174 1.00 0.00 N ATOM 0 H ARG A 24 -0.682 -5.308 5.295 1.00 0.00 H new ATOM 0 HA ARG A 24 -2.004 -6.649 7.567 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.596 -7.437 6.200 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.120 -8.010 7.786 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.534 -8.438 5.272 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.371 -9.597 5.884 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.847 -8.588 7.339 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.631 -10.180 6.640 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.734 -9.307 8.769 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.413 -11.341 7.693 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.290 -12.434 9.076 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.585 -10.716 10.541 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.697 -12.081 10.680 1.00 0.00 H new ATOM 382 N GLU A 25 -0.673 -5.290 9.156 1.00 0.00 N ATOM 383 CA GLU A 25 0.001 -4.379 10.073 1.00 0.00 C ATOM 384 C GLU A 25 1.468 -4.768 10.241 1.00 0.00 C ATOM 385 O GLU A 25 1.794 -5.700 10.977 1.00 0.00 O ATOM 386 CB GLU A 25 -0.704 -4.375 11.430 1.00 0.00 C ATOM 387 CG GLU A 25 0.015 -3.562 12.493 1.00 0.00 C ATOM 388 CD GLU A 25 -0.700 -3.591 13.830 1.00 0.00 C ATOM 389 OE1 GLU A 25 -0.430 -4.514 14.627 1.00 0.00 O ATOM 390 OE2 GLU A 25 -1.527 -2.691 14.080 1.00 0.00 O ATOM 0 H GLU A 25 -1.443 -5.814 9.572 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.042 -3.375 9.651 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.712 -3.980 11.304 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.806 -5.403 11.779 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.027 -3.947 12.618 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.106 -2.529 12.156 1.00 0.00 H new ATOM 397 N GLY A 26 2.343 -4.046 9.550 1.00 0.00 N ATOM 398 CA GLY A 26 3.766 -4.323 9.627 1.00 0.00 C ATOM 399 C GLY A 26 4.380 -4.565 8.264 1.00 0.00 C ATOM 400 O GLY A 26 5.523 -5.013 8.161 1.00 0.00 O ATOM 0 H GLY A 26 2.092 -3.271 8.936 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.271 -3.485 10.107 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.930 -5.197 10.257 1.00 0.00 H new ATOM 404 N GLN A 27 3.619 -4.269 7.213 1.00 0.00 N ATOM 405 CA GLN A 27 4.083 -4.457 5.850 1.00 0.00 C ATOM 406 C GLN A 27 4.526 -3.134 5.230 1.00 0.00 C ATOM 407 O GLN A 27 4.174 -2.059 5.716 1.00 0.00 O ATOM 408 CB GLN A 27 2.964 -5.072 5.020 1.00 0.00 C ATOM 409 CG GLN A 27 3.225 -6.513 4.621 1.00 0.00 C ATOM 410 CD GLN A 27 4.493 -6.673 3.805 1.00 0.00 C ATOM 411 OE1 GLN A 27 5.574 -6.887 4.351 1.00 0.00 O ATOM 412 NE2 GLN A 27 4.364 -6.567 2.488 1.00 0.00 N ATOM 0 H GLN A 27 2.673 -3.896 7.285 1.00 0.00 H new ATOM 0 HA GLN A 27 4.945 -5.125 5.864 1.00 0.00 H new ATOM 0 HB2 GLN A 27 2.034 -5.023 5.586 1.00 0.00 H new ATOM 0 HB3 GLN A 27 2.820 -4.475 4.120 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.295 -7.127 5.519 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.378 -6.886 4.045 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.447 -6.389 2.078 1.00 0.00 H new ATOM 0 HE22 GLN A 27 5.182 -6.664 1.886 1.00 0.00 H new ATOM 421 N TYR A 28 5.300 -3.225 4.152 1.00 0.00 N ATOM 422 CA TYR A 28 5.794 -2.042 3.456 1.00 0.00 C ATOM 423 C TYR A 28 5.385 -2.073 1.988 1.00 0.00 C ATOM 424 O TYR A 28 5.393 -3.131 1.357 1.00 0.00 O ATOM 425 CB TYR A 28 7.317 -1.960 3.572 1.00 0.00 C ATOM 426 CG TYR A 28 7.820 -2.025 4.996 1.00 0.00 C ATOM 427 CD1 TYR A 28 7.794 -0.902 5.813 1.00 0.00 C ATOM 428 CD2 TYR A 28 8.321 -3.209 5.526 1.00 0.00 C ATOM 429 CE1 TYR A 28 8.252 -0.956 7.115 1.00 0.00 C ATOM 430 CE2 TYR A 28 8.781 -3.271 6.827 1.00 0.00 C ATOM 431 CZ TYR A 28 8.744 -2.142 7.618 1.00 0.00 C ATOM 432 OH TYR A 28 9.202 -2.200 8.913 1.00 0.00 O ATOM 0 H TYR A 28 5.599 -4.109 3.741 1.00 0.00 H new ATOM 0 HA TYR A 28 5.353 -1.160 3.921 1.00 0.00 H new ATOM 0 HB2 TYR A 28 7.761 -2.776 3.001 1.00 0.00 H new ATOM 0 HB3 TYR A 28 7.658 -1.030 3.117 1.00 0.00 H new ATOM 0 HD1 TYR A 28 7.409 0.029 5.424 1.00 0.00 H new ATOM 0 HD2 TYR A 28 8.351 -4.095 4.910 1.00 0.00 H new ATOM 0 HE1 TYR A 28 8.225 -0.073 7.736 1.00 0.00 H new ATOM 0 HE2 TYR A 28 9.168 -4.199 7.223 1.00 0.00 H new ATOM 0 HH TYR A 28 9.513 -3.108 9.110 1.00 0.00 H new ATOM 442 N VAL A 29 5.029 -0.912 1.445 1.00 0.00 N ATOM 443 CA VAL A 29 4.612 -0.828 0.049 1.00 0.00 C ATOM 444 C VAL A 29 4.737 0.593 -0.507 1.00 0.00 C ATOM 445 O VAL A 29 4.166 1.538 0.034 1.00 0.00 O ATOM 446 CB VAL A 29 3.155 -1.306 -0.117 1.00 0.00 C ATOM 447 CG1 VAL A 29 2.248 -0.623 0.896 1.00 0.00 C ATOM 448 CG2 VAL A 29 2.663 -1.053 -1.533 1.00 0.00 C ATOM 0 H VAL A 29 5.021 -0.023 1.946 1.00 0.00 H new ATOM 0 HA VAL A 29 5.281 -1.478 -0.514 1.00 0.00 H new ATOM 0 HB VAL A 29 3.126 -2.380 0.066 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.225 -0.974 0.763 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.585 -0.862 1.905 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.284 0.456 0.747 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.633 -1.398 -1.627 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.710 0.014 -1.749 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.293 -1.594 -2.239 1.00 0.00 H new ATOM 458 N GLU A 30 5.489 0.725 -1.598 1.00 0.00 N ATOM 459 CA GLU A 30 5.678 2.010 -2.260 1.00 0.00 C ATOM 460 C GLU A 30 4.442 2.385 -3.075 1.00 0.00 C ATOM 461 O GLU A 30 3.691 1.516 -3.519 1.00 0.00 O ATOM 462 CB GLU A 30 6.906 1.954 -3.171 1.00 0.00 C ATOM 463 CG GLU A 30 6.888 0.786 -4.144 1.00 0.00 C ATOM 464 CD GLU A 30 8.167 0.680 -4.952 1.00 0.00 C ATOM 465 OE1 GLU A 30 9.228 0.408 -4.350 1.00 0.00 O ATOM 466 OE2 GLU A 30 8.108 0.864 -6.185 1.00 0.00 O ATOM 0 H GLU A 30 5.980 -0.050 -2.044 1.00 0.00 H new ATOM 0 HA GLU A 30 5.832 2.772 -1.496 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.973 2.885 -3.734 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.803 1.889 -2.555 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.734 -0.141 -3.591 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.042 0.896 -4.823 1.00 0.00 H new ATOM 473 N VAL A 31 4.240 3.685 -3.264 1.00 0.00 N ATOM 474 CA VAL A 31 3.096 4.184 -4.018 1.00 0.00 C ATOM 475 C VAL A 31 3.432 4.320 -5.501 1.00 0.00 C ATOM 476 O VAL A 31 4.555 4.669 -5.862 1.00 0.00 O ATOM 477 CB VAL A 31 2.622 5.546 -3.475 1.00 0.00 C ATOM 478 CG1 VAL A 31 3.709 6.600 -3.636 1.00 0.00 C ATOM 479 CG2 VAL A 31 1.341 5.978 -4.168 1.00 0.00 C ATOM 0 H VAL A 31 4.856 4.414 -2.904 1.00 0.00 H new ATOM 0 HA VAL A 31 2.292 3.457 -3.900 1.00 0.00 H new ATOM 0 HB VAL A 31 2.414 5.438 -2.410 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.352 7.553 -3.246 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.598 6.293 -3.086 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.956 6.710 -4.692 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.020 6.942 -3.772 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.519 6.067 -5.240 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.563 5.236 -3.990 1.00 0.00 H new ATOM 489 N LEU A 32 2.449 4.041 -6.356 1.00 0.00 N ATOM 490 CA LEU A 32 2.642 4.121 -7.800 1.00 0.00 C ATOM 491 C LEU A 32 1.975 5.359 -8.398 1.00 0.00 C ATOM 492 O LEU A 32 2.651 6.312 -8.785 1.00 0.00 O ATOM 493 CB LEU A 32 2.096 2.861 -8.478 1.00 0.00 C ATOM 494 CG LEU A 32 2.951 1.603 -8.311 1.00 0.00 C ATOM 495 CD1 LEU A 32 2.272 0.411 -8.966 1.00 0.00 C ATOM 496 CD2 LEU A 32 4.338 1.811 -8.901 1.00 0.00 C ATOM 0 H LEU A 32 1.511 3.758 -6.072 1.00 0.00 H new ATOM 0 HA LEU A 32 3.714 4.199 -7.980 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.101 2.658 -8.083 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.981 3.063 -9.543 1.00 0.00 H new ATOM 0 HG LEU A 32 3.059 1.402 -7.245 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.892 -0.476 -8.839 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.301 0.244 -8.500 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.136 0.609 -10.029 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.928 0.904 -8.771 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.251 2.038 -9.963 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.829 2.640 -8.392 1.00 0.00 H new ATOM 508 N ASP A 33 0.646 5.337 -8.472 1.00 0.00 N ATOM 509 CA ASP A 33 -0.105 6.451 -9.046 1.00 0.00 C ATOM 510 C ASP A 33 -0.341 7.565 -8.027 1.00 0.00 C ATOM 511 O ASP A 33 0.362 8.575 -8.032 1.00 0.00 O ATOM 512 CB ASP A 33 -1.445 5.959 -9.595 1.00 0.00 C ATOM 513 CG ASP A 33 -2.256 7.074 -10.227 1.00 0.00 C ATOM 514 OD1 ASP A 33 -2.089 7.317 -11.439 1.00 0.00 O ATOM 515 OD2 ASP A 33 -3.060 7.704 -9.507 1.00 0.00 O ATOM 0 H ASP A 33 0.069 4.563 -8.143 1.00 0.00 H new ATOM 0 HA ASP A 33 0.494 6.863 -9.858 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.267 5.179 -10.335 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.021 5.507 -8.788 1.00 0.00 H new ATOM 520 N ALA A 34 -1.332 7.371 -7.158 1.00 0.00 N ATOM 521 CA ALA A 34 -1.676 8.365 -6.144 1.00 0.00 C ATOM 522 C ALA A 34 -2.130 9.667 -6.797 1.00 0.00 C ATOM 523 O ALA A 34 -1.311 10.453 -7.274 1.00 0.00 O ATOM 524 CB ALA A 34 -0.499 8.623 -5.214 1.00 0.00 C ATOM 0 H ALA A 34 -1.912 6.532 -7.137 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.500 7.968 -5.552 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.781 9.367 -4.468 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.220 7.695 -4.714 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.348 8.992 -5.793 1.00 0.00 H new ATOM 530 N ALA A 35 -3.441 9.887 -6.815 1.00 0.00 N ATOM 531 CA ALA A 35 -4.003 11.090 -7.415 1.00 0.00 C ATOM 532 C ALA A 35 -4.894 11.838 -6.429 1.00 0.00 C ATOM 533 O ALA A 35 -4.608 12.977 -6.061 1.00 0.00 O ATOM 534 CB ALA A 35 -4.785 10.732 -8.670 1.00 0.00 C ATOM 0 H ALA A 35 -4.132 9.249 -6.421 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.179 11.750 -7.685 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.201 11.638 -9.111 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.121 10.251 -9.388 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.595 10.050 -8.412 1.00 0.00 H new ATOM 540 N HIS A 36 -5.972 11.188 -6.001 1.00 0.00 N ATOM 541 CA HIS A 36 -6.908 11.797 -5.062 1.00 0.00 C ATOM 542 C HIS A 36 -6.598 11.376 -3.624 1.00 0.00 C ATOM 543 O HIS A 36 -6.266 10.218 -3.371 1.00 0.00 O ATOM 544 CB HIS A 36 -8.342 11.405 -5.421 1.00 0.00 C ATOM 545 CG HIS A 36 -8.691 11.674 -6.851 1.00 0.00 C ATOM 546 ND1 HIS A 36 -9.380 12.795 -7.261 1.00 0.00 N ATOM 547 CD2 HIS A 36 -8.438 10.958 -7.974 1.00 0.00 C ATOM 548 CE1 HIS A 36 -9.538 12.757 -8.573 1.00 0.00 C ATOM 549 NE2 HIS A 36 -8.975 11.654 -9.029 1.00 0.00 N ATOM 0 H HIS A 36 -6.219 10.241 -6.289 1.00 0.00 H new ATOM 0 HA HIS A 36 -6.801 12.879 -5.132 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -8.484 10.344 -5.213 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -9.032 11.951 -4.777 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -7.912 10.016 -8.029 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -10.042 13.502 -9.170 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -8.944 11.365 -10.007 1.00 0.00 H new ATOM 558 N PRO A 37 -6.702 12.313 -2.661 1.00 0.00 N ATOM 559 CA PRO A 37 -6.429 12.033 -1.242 1.00 0.00 C ATOM 560 C PRO A 37 -7.311 10.922 -0.686 1.00 0.00 C ATOM 561 O PRO A 37 -6.982 10.304 0.327 1.00 0.00 O ATOM 562 CB PRO A 37 -6.758 13.363 -0.556 1.00 0.00 C ATOM 563 CG PRO A 37 -6.585 14.374 -1.613 1.00 0.00 C ATOM 564 CD PRO A 37 -7.090 13.723 -2.865 1.00 0.00 C ATOM 0 HA PRO A 37 -5.407 11.689 -1.084 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.775 13.367 -0.165 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.092 13.551 0.286 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.146 15.281 -1.387 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.539 14.663 -1.714 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.168 13.837 -2.977 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.631 14.147 -3.758 1.00 0.00 H new ATOM 572 N LEU A 38 -8.435 10.678 -1.352 1.00 0.00 N ATOM 573 CA LEU A 38 -9.370 9.642 -0.925 1.00 0.00 C ATOM 574 C LEU A 38 -8.683 8.280 -0.875 1.00 0.00 C ATOM 575 O LEU A 38 -8.687 7.611 0.160 1.00 0.00 O ATOM 576 CB LEU A 38 -10.571 9.590 -1.880 1.00 0.00 C ATOM 577 CG LEU A 38 -11.888 9.091 -1.271 1.00 0.00 C ATOM 578 CD1 LEU A 38 -11.763 7.648 -0.803 1.00 0.00 C ATOM 579 CD2 LEU A 38 -12.320 9.990 -0.121 1.00 0.00 C ATOM 0 H LEU A 38 -8.721 11.184 -2.190 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.721 9.888 0.077 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -10.735 10.590 -2.282 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.315 8.946 -2.721 1.00 0.00 H new ATOM 0 HG LEU A 38 -12.653 9.129 -2.047 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -12.711 7.321 -0.376 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -11.508 7.012 -1.650 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.981 7.577 -0.047 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -13.256 9.620 0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -11.551 9.988 0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -12.463 11.006 -0.488 1.00 0.00 H new ATOM 591 N ARG A 39 -8.097 7.877 -1.997 1.00 0.00 N ATOM 592 CA ARG A 39 -7.409 6.594 -2.085 1.00 0.00 C ATOM 593 C ARG A 39 -6.185 6.692 -2.990 1.00 0.00 C ATOM 594 O ARG A 39 -6.221 7.349 -4.031 1.00 0.00 O ATOM 595 CB ARG A 39 -8.360 5.519 -2.614 1.00 0.00 C ATOM 596 CG ARG A 39 -9.044 5.906 -3.915 1.00 0.00 C ATOM 597 CD ARG A 39 -9.952 4.799 -4.425 1.00 0.00 C ATOM 598 NE ARG A 39 -10.698 5.211 -5.611 1.00 0.00 N ATOM 599 CZ ARG A 39 -11.032 4.386 -6.599 1.00 0.00 C ATOM 600 NH1 ARG A 39 -10.689 3.105 -6.542 1.00 0.00 N ATOM 601 NH2 ARG A 39 -11.709 4.840 -7.644 1.00 0.00 N ATOM 0 H ARG A 39 -8.085 8.421 -2.860 1.00 0.00 H new ATOM 0 HA ARG A 39 -7.077 6.319 -1.084 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.803 4.594 -2.766 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.120 5.313 -1.860 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.628 6.814 -3.763 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.290 6.134 -4.668 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.354 3.918 -4.660 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -10.650 4.511 -3.639 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.979 6.189 -5.686 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.168 2.752 -5.739 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -10.946 2.474 -7.301 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.975 5.824 -7.691 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.964 4.206 -8.401 1.00 0.00 H new ATOM 615 N TRP A 40 -5.103 6.037 -2.583 1.00 0.00 N ATOM 616 CA TRP A 40 -3.866 6.043 -3.357 1.00 0.00 C ATOM 617 C TRP A 40 -3.557 4.649 -3.891 1.00 0.00 C ATOM 618 O TRP A 40 -3.742 3.652 -3.194 1.00 0.00 O ATOM 619 CB TRP A 40 -2.697 6.538 -2.500 1.00 0.00 C ATOM 620 CG TRP A 40 -2.686 8.023 -2.280 1.00 0.00 C ATOM 621 CD1 TRP A 40 -3.536 8.946 -2.820 1.00 0.00 C ATOM 622 CD2 TRP A 40 -1.768 8.755 -1.460 1.00 0.00 C ATOM 623 NE1 TRP A 40 -3.203 10.206 -2.385 1.00 0.00 N ATOM 624 CE2 TRP A 40 -2.122 10.116 -1.548 1.00 0.00 C ATOM 625 CE3 TRP A 40 -0.684 8.392 -0.658 1.00 0.00 C ATOM 626 CZ2 TRP A 40 -1.427 11.111 -0.866 1.00 0.00 C ATOM 627 CZ3 TRP A 40 0.005 9.381 0.019 1.00 0.00 C ATOM 628 CH2 TRP A 40 -0.370 10.726 -0.088 1.00 0.00 C ATOM 0 H TRP A 40 -5.057 5.494 -1.720 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.001 6.721 -4.200 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -2.732 6.038 -1.532 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -1.761 6.245 -2.976 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.351 8.718 -3.491 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.683 11.068 -2.643 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -0.389 7.357 -0.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.712 12.149 -0.948 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.846 9.112 0.641 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.187 11.475 0.455 1.00 0.00 H new ATOM 639 N LEU A 41 -3.086 4.588 -5.133 1.00 0.00 N ATOM 640 CA LEU A 41 -2.745 3.315 -5.757 1.00 0.00 C ATOM 641 C LEU A 41 -1.328 2.898 -5.378 1.00 0.00 C ATOM 642 O LEU A 41 -0.381 3.666 -5.549 1.00 0.00 O ATOM 643 CB LEU A 41 -2.875 3.417 -7.279 1.00 0.00 C ATOM 644 CG LEU A 41 -2.474 2.158 -8.052 1.00 0.00 C ATOM 645 CD1 LEU A 41 -3.311 0.969 -7.603 1.00 0.00 C ATOM 646 CD2 LEU A 41 -2.624 2.381 -9.548 1.00 0.00 C ATOM 0 H LEU A 41 -2.932 5.404 -5.726 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.440 2.557 -5.395 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.909 3.661 -7.524 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.261 4.248 -7.625 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.427 1.942 -7.840 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.013 0.082 -8.163 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.155 0.796 -6.538 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.365 1.176 -7.786 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.335 1.476 -10.082 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.662 2.621 -9.778 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.983 3.206 -9.859 1.00 0.00 H new ATOM 658 N VAL A 42 -1.188 1.680 -4.863 1.00 0.00 N ATOM 659 CA VAL A 42 0.116 1.170 -4.455 1.00 0.00 C ATOM 660 C VAL A 42 0.321 -0.273 -4.908 1.00 0.00 C ATOM 661 O VAL A 42 -0.629 -0.962 -5.278 1.00 0.00 O ATOM 662 CB VAL A 42 0.290 1.238 -2.925 1.00 0.00 C ATOM 663 CG1 VAL A 42 0.108 2.663 -2.423 1.00 0.00 C ATOM 664 CG2 VAL A 42 -0.684 0.297 -2.232 1.00 0.00 C ATOM 0 H VAL A 42 -1.960 1.029 -4.719 1.00 0.00 H new ATOM 0 HA VAL A 42 0.861 1.805 -4.934 1.00 0.00 H new ATOM 0 HB VAL A 42 1.304 0.920 -2.684 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.235 2.687 -1.341 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.850 3.311 -2.890 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.892 3.014 -2.678 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.545 0.360 -1.153 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.706 0.581 -2.484 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.500 -0.725 -2.563 1.00 0.00 H new ATOM 674 N ARG A 43 1.574 -0.720 -4.872 1.00 0.00 N ATOM 675 CA ARG A 43 1.921 -2.083 -5.263 1.00 0.00 C ATOM 676 C ARG A 43 3.010 -2.633 -4.350 1.00 0.00 C ATOM 677 O ARG A 43 4.150 -2.167 -4.379 1.00 0.00 O ATOM 678 CB ARG A 43 2.389 -2.123 -6.718 1.00 0.00 C ATOM 679 CG ARG A 43 2.623 -3.532 -7.238 1.00 0.00 C ATOM 680 CD ARG A 43 2.995 -3.530 -8.711 1.00 0.00 C ATOM 681 NE ARG A 43 4.227 -2.788 -8.964 1.00 0.00 N ATOM 682 CZ ARG A 43 4.710 -2.553 -10.180 1.00 0.00 C ATOM 683 NH1 ARG A 43 4.069 -3.004 -11.249 1.00 0.00 N ATOM 684 NH2 ARG A 43 5.834 -1.866 -10.326 1.00 0.00 N ATOM 0 H ARG A 43 2.369 -0.155 -4.574 1.00 0.00 H new ATOM 0 HA ARG A 43 1.031 -2.704 -5.167 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.645 -1.631 -7.345 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.312 -1.551 -6.811 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.418 -4.006 -6.662 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.723 -4.129 -7.090 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.113 -4.557 -9.056 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.182 -3.091 -9.289 1.00 0.00 H new ATOM 0 HE ARG A 43 4.746 -2.430 -8.162 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.203 -3.532 -11.139 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.441 -2.823 -12.181 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.329 -1.517 -9.505 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.204 -1.686 -11.259 1.00 0.00 H new ATOM 698 N THR A 44 2.653 -3.624 -3.539 1.00 0.00 N ATOM 699 CA THR A 44 3.599 -4.224 -2.603 1.00 0.00 C ATOM 700 C THR A 44 4.821 -4.786 -3.321 1.00 0.00 C ATOM 701 O THR A 44 4.738 -5.218 -4.471 1.00 0.00 O ATOM 702 CB THR A 44 2.945 -5.346 -1.777 1.00 0.00 C ATOM 703 OG1 THR A 44 2.627 -6.459 -2.622 1.00 0.00 O ATOM 704 CG2 THR A 44 1.680 -4.848 -1.092 1.00 0.00 C ATOM 0 H THR A 44 1.717 -4.028 -3.511 1.00 0.00 H new ATOM 0 HA THR A 44 3.915 -3.425 -1.933 1.00 0.00 H new ATOM 0 HB THR A 44 3.655 -5.662 -1.013 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.213 -7.168 -2.087 1.00 0.00 H new ATOM 0 HG21 THR A 44 1.236 -5.659 -0.514 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.928 -4.022 -0.426 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.969 -4.507 -1.844 1.00 0.00 H new ATOM 712 N LYS A 45 5.953 -4.779 -2.624 1.00 0.00 N ATOM 713 CA LYS A 45 7.205 -5.279 -3.180 1.00 0.00 C ATOM 714 C LYS A 45 7.207 -6.809 -3.232 1.00 0.00 C ATOM 715 O LYS A 45 6.792 -7.464 -2.276 1.00 0.00 O ATOM 716 CB LYS A 45 8.385 -4.785 -2.341 1.00 0.00 C ATOM 717 CG LYS A 45 8.407 -3.276 -2.150 1.00 0.00 C ATOM 718 CD LYS A 45 9.581 -2.830 -1.290 1.00 0.00 C ATOM 719 CE LYS A 45 9.364 -3.159 0.181 1.00 0.00 C ATOM 720 NZ LYS A 45 9.638 -4.591 0.485 1.00 0.00 N ATOM 0 H LYS A 45 6.028 -4.431 -1.668 1.00 0.00 H new ATOM 0 HA LYS A 45 7.303 -4.900 -4.197 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.352 -5.266 -1.363 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.315 -5.096 -2.818 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.463 -2.788 -3.123 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.474 -2.955 -1.686 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.492 -3.315 -1.640 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.727 -1.756 -1.404 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.012 -2.530 0.791 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.337 -2.921 0.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.739 -5.110 0.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.220 -5.002 -0.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.147 -4.663 1.389 1.00 0.00 H new ATOM 734 N PRO A 46 7.675 -7.400 -4.349 1.00 0.00 N ATOM 735 CA PRO A 46 7.726 -8.854 -4.508 1.00 0.00 C ATOM 736 C PRO A 46 8.952 -9.469 -3.845 1.00 0.00 C ATOM 737 O PRO A 46 10.085 -9.208 -4.249 1.00 0.00 O ATOM 738 CB PRO A 46 7.800 -9.024 -6.022 1.00 0.00 C ATOM 739 CG PRO A 46 8.537 -7.819 -6.497 1.00 0.00 C ATOM 740 CD PRO A 46 8.188 -6.701 -5.545 1.00 0.00 C ATOM 0 HA PRO A 46 6.875 -9.351 -4.042 1.00 0.00 H new ATOM 0 HB2 PRO A 46 8.322 -9.941 -6.293 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.805 -9.081 -6.464 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.612 -8.000 -6.506 1.00 0.00 H new ATOM 0 HG3 PRO A 46 8.248 -7.565 -7.517 1.00 0.00 H new ATOM 0 HD2 PRO A 46 9.060 -6.091 -5.308 1.00 0.00 H new ATOM 0 HD3 PRO A 46 7.438 -6.034 -5.970 1.00 0.00 H new ATOM 806 N PRO A 51 4.561 -13.079 -6.255 1.00 0.00 N ATOM 807 CA PRO A 51 3.637 -12.333 -7.117 1.00 0.00 C ATOM 808 C PRO A 51 3.272 -10.973 -6.529 1.00 0.00 C ATOM 809 O PRO A 51 2.636 -10.891 -5.478 1.00 0.00 O ATOM 810 CB PRO A 51 2.398 -13.237 -7.189 1.00 0.00 C ATOM 811 CG PRO A 51 2.555 -14.202 -6.062 1.00 0.00 C ATOM 812 CD PRO A 51 4.027 -14.404 -5.911 1.00 0.00 C ATOM 0 HA PRO A 51 4.075 -12.116 -8.091 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.481 -12.657 -7.087 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.343 -13.755 -8.147 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.117 -13.809 -5.145 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.050 -15.143 -6.278 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.295 -14.700 -4.897 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.402 -15.180 -6.579 1.00 0.00 H new ATOM 820 N SER A 52 3.680 -9.907 -7.213 1.00 0.00 N ATOM 821 CA SER A 52 3.396 -8.551 -6.757 1.00 0.00 C ATOM 822 C SER A 52 1.932 -8.189 -6.996 1.00 0.00 C ATOM 823 O SER A 52 1.413 -8.360 -8.099 1.00 0.00 O ATOM 824 CB SER A 52 4.306 -7.549 -7.472 1.00 0.00 C ATOM 825 OG SER A 52 3.936 -6.217 -7.167 1.00 0.00 O ATOM 0 H SER A 52 4.208 -9.957 -8.084 1.00 0.00 H new ATOM 0 HA SER A 52 3.590 -8.507 -5.685 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.342 -7.719 -7.177 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.251 -7.707 -8.549 1.00 0.00 H new ATOM 0 HG SER A 52 4.243 -5.991 -6.264 1.00 0.00 H new ATOM 831 N ARG A 53 1.275 -7.688 -5.955 1.00 0.00 N ATOM 832 CA ARG A 53 -0.131 -7.303 -6.048 1.00 0.00 C ATOM 833 C ARG A 53 -0.291 -5.787 -5.967 1.00 0.00 C ATOM 834 O ARG A 53 0.357 -5.127 -5.154 1.00 0.00 O ATOM 835 CB ARG A 53 -0.941 -7.973 -4.933 1.00 0.00 C ATOM 836 CG ARG A 53 -2.408 -7.567 -4.908 1.00 0.00 C ATOM 837 CD ARG A 53 -3.131 -8.009 -6.172 1.00 0.00 C ATOM 838 NE ARG A 53 -4.490 -7.478 -6.243 1.00 0.00 N ATOM 839 CZ ARG A 53 -5.142 -7.278 -7.384 1.00 0.00 C ATOM 840 NH1 ARG A 53 -4.559 -7.561 -8.542 1.00 0.00 N ATOM 841 NH2 ARG A 53 -6.377 -6.795 -7.370 1.00 0.00 N ATOM 0 H ARG A 53 1.693 -7.539 -5.037 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.508 -7.638 -7.015 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.875 -9.055 -5.049 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.490 -7.728 -3.972 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.894 -8.007 -4.037 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.485 -6.485 -4.803 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.568 -7.680 -7.045 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.166 -9.098 -6.207 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.964 -7.248 -5.370 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.609 -7.933 -8.557 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.061 -7.407 -9.417 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.829 -6.576 -6.482 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.875 -6.643 -8.247 1.00 0.00 H new ATOM 855 N GLN A 54 -1.157 -5.242 -6.818 1.00 0.00 N ATOM 856 CA GLN A 54 -1.408 -3.804 -6.840 1.00 0.00 C ATOM 857 C GLN A 54 -2.872 -3.512 -6.524 1.00 0.00 C ATOM 858 O GLN A 54 -3.774 -4.052 -7.167 1.00 0.00 O ATOM 859 CB GLN A 54 -1.047 -3.231 -8.213 1.00 0.00 C ATOM 860 CG GLN A 54 -1.145 -1.717 -8.289 1.00 0.00 C ATOM 861 CD GLN A 54 -1.114 -1.202 -9.715 1.00 0.00 C ATOM 862 OE1 GLN A 54 -0.047 -0.954 -10.276 1.00 0.00 O ATOM 863 NE2 GLN A 54 -2.290 -1.037 -10.310 1.00 0.00 N ATOM 0 H GLN A 54 -1.696 -5.774 -7.501 1.00 0.00 H new ATOM 0 HA GLN A 54 -0.786 -3.331 -6.080 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.031 -3.533 -8.467 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.707 -3.667 -8.963 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.068 -1.392 -7.809 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.321 -1.275 -7.729 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.151 -1.255 -9.808 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -2.332 -0.692 -11.269 1.00 0.00 H new ATOM 872 N GLY A 55 -3.103 -2.656 -5.533 1.00 0.00 N ATOM 873 CA GLY A 55 -4.461 -2.312 -5.150 1.00 0.00 C ATOM 874 C GLY A 55 -4.568 -0.931 -4.534 1.00 0.00 C ATOM 875 O GLY A 55 -3.565 -0.347 -4.122 1.00 0.00 O ATOM 0 H GLY A 55 -2.374 -2.195 -4.988 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.105 -2.364 -6.028 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.831 -3.051 -4.439 1.00 0.00 H new ATOM 879 N TRP A 56 -5.789 -0.406 -4.471 1.00 0.00 N ATOM 880 CA TRP A 56 -6.030 0.910 -3.889 1.00 0.00 C ATOM 881 C TRP A 56 -6.215 0.798 -2.378 1.00 0.00 C ATOM 882 O TRP A 56 -6.903 -0.102 -1.895 1.00 0.00 O ATOM 883 CB TRP A 56 -7.268 1.555 -4.514 1.00 0.00 C ATOM 884 CG TRP A 56 -7.164 1.739 -5.998 1.00 0.00 C ATOM 885 CD1 TRP A 56 -7.395 0.797 -6.958 1.00 0.00 C ATOM 886 CD2 TRP A 56 -6.809 2.941 -6.690 1.00 0.00 C ATOM 887 NE1 TRP A 56 -7.202 1.340 -8.206 1.00 0.00 N ATOM 888 CE2 TRP A 56 -6.841 2.654 -8.067 1.00 0.00 C ATOM 889 CE3 TRP A 56 -6.465 4.232 -6.278 1.00 0.00 C ATOM 890 CZ2 TRP A 56 -6.544 3.612 -9.035 1.00 0.00 C ATOM 891 CZ3 TRP A 56 -6.170 5.181 -7.239 1.00 0.00 C ATOM 892 CH2 TRP A 56 -6.211 4.867 -8.603 1.00 0.00 C ATOM 0 H TRP A 56 -6.627 -0.873 -4.817 1.00 0.00 H new ATOM 0 HA TRP A 56 -5.163 1.537 -4.096 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -8.139 0.939 -4.293 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -7.437 2.525 -4.047 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -7.687 -0.225 -6.766 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -7.310 0.845 -9.091 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -6.430 4.483 -5.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -6.576 3.372 -10.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -5.903 6.182 -6.932 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -5.975 5.631 -9.329 1.00 0.00 H new ATOM 903 N VAL A 57 -5.599 1.713 -1.634 1.00 0.00 N ATOM 904 CA VAL A 57 -5.701 1.702 -0.178 1.00 0.00 C ATOM 905 C VAL A 57 -5.899 3.107 0.381 1.00 0.00 C ATOM 906 O VAL A 57 -5.818 4.094 -0.349 1.00 0.00 O ATOM 907 CB VAL A 57 -4.450 1.081 0.470 1.00 0.00 C ATOM 908 CG1 VAL A 57 -4.331 -0.388 0.100 1.00 0.00 C ATOM 909 CG2 VAL A 57 -3.199 1.842 0.059 1.00 0.00 C ATOM 0 H VAL A 57 -5.027 2.468 -2.013 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.572 1.094 0.065 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.552 1.154 1.553 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.441 -0.810 0.567 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.213 -0.924 0.450 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.253 -0.485 -0.983 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.326 1.387 0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.090 1.804 -1.025 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.283 2.880 0.379 1.00 0.00 H new ATOM 919 N SER A 58 -6.161 3.183 1.682 1.00 0.00 N ATOM 920 CA SER A 58 -6.372 4.460 2.353 1.00 0.00 C ATOM 921 C SER A 58 -5.061 4.986 2.943 1.00 0.00 C ATOM 922 O SER A 58 -4.430 4.309 3.753 1.00 0.00 O ATOM 923 CB SER A 58 -7.416 4.305 3.459 1.00 0.00 C ATOM 924 OG SER A 58 -7.098 3.220 4.313 1.00 0.00 O ATOM 0 H SER A 58 -6.232 2.371 2.295 1.00 0.00 H new ATOM 0 HA SER A 58 -6.733 5.179 1.617 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.473 5.225 4.041 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.399 4.147 3.016 1.00 0.00 H new ATOM 0 HG SER A 58 -7.815 2.553 4.275 1.00 0.00 H new ATOM 930 N PRO A 59 -4.632 6.204 2.550 1.00 0.00 N ATOM 931 CA PRO A 59 -3.388 6.798 3.050 1.00 0.00 C ATOM 932 C PRO A 59 -3.520 7.330 4.473 1.00 0.00 C ATOM 933 O PRO A 59 -2.525 7.686 5.106 1.00 0.00 O ATOM 934 CB PRO A 59 -3.136 7.946 2.074 1.00 0.00 C ATOM 935 CG PRO A 59 -4.495 8.354 1.623 1.00 0.00 C ATOM 936 CD PRO A 59 -5.319 7.095 1.590 1.00 0.00 C ATOM 0 HA PRO A 59 -2.580 6.068 3.099 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.613 8.771 2.558 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.518 7.626 1.235 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.929 9.086 2.305 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -4.455 8.820 0.638 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.351 7.283 1.886 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.348 6.661 0.591 1.00 0.00 H new ATOM 944 N ALA A 60 -4.751 7.384 4.972 1.00 0.00 N ATOM 945 CA ALA A 60 -5.008 7.879 6.320 1.00 0.00 C ATOM 946 C ALA A 60 -4.384 6.970 7.373 1.00 0.00 C ATOM 947 O ALA A 60 -4.047 7.415 8.470 1.00 0.00 O ATOM 948 CB ALA A 60 -6.506 8.008 6.556 1.00 0.00 C ATOM 0 H ALA A 60 -5.585 7.091 4.464 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.547 8.863 6.411 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.685 8.378 7.565 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -6.929 8.706 5.833 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.978 7.033 6.438 1.00 0.00 H new ATOM 954 N TYR A 61 -4.230 5.694 7.031 1.00 0.00 N ATOM 955 CA TYR A 61 -3.650 4.721 7.950 1.00 0.00 C ATOM 956 C TYR A 61 -2.231 4.352 7.529 1.00 0.00 C ATOM 957 O TYR A 61 -1.683 3.343 7.972 1.00 0.00 O ATOM 958 CB TYR A 61 -4.522 3.465 8.013 1.00 0.00 C ATOM 959 CG TYR A 61 -5.951 3.742 8.427 1.00 0.00 C ATOM 960 CD1 TYR A 61 -6.282 3.939 9.762 1.00 0.00 C ATOM 961 CD2 TYR A 61 -6.967 3.809 7.482 1.00 0.00 C ATOM 962 CE1 TYR A 61 -7.586 4.194 10.143 1.00 0.00 C ATOM 963 CE2 TYR A 61 -8.273 4.064 7.856 1.00 0.00 C ATOM 964 CZ TYR A 61 -8.577 4.256 9.187 1.00 0.00 C ATOM 965 OH TYR A 61 -9.875 4.510 9.562 1.00 0.00 O ATOM 0 H TYR A 61 -4.499 5.310 6.125 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.607 5.174 8.940 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.522 2.983 7.035 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -4.079 2.760 8.716 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -5.508 3.892 10.514 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.733 3.659 6.438 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -7.827 4.344 11.185 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -9.052 4.113 7.109 1.00 0.00 H new ATOM 0 HH TYR A 61 -10.449 4.521 8.768 1.00 0.00 H new ATOM 975 N LEU A 62 -1.641 5.183 6.674 1.00 0.00 N ATOM 976 CA LEU A 62 -0.284 4.949 6.187 1.00 0.00 C ATOM 977 C LEU A 62 0.685 5.990 6.739 1.00 0.00 C ATOM 978 O LEU A 62 0.363 7.176 6.812 1.00 0.00 O ATOM 979 CB LEU A 62 -0.260 4.974 4.657 1.00 0.00 C ATOM 980 CG LEU A 62 -0.376 3.607 3.975 1.00 0.00 C ATOM 981 CD1 LEU A 62 -1.604 2.857 4.473 1.00 0.00 C ATOM 982 CD2 LEU A 62 -0.432 3.772 2.463 1.00 0.00 C ATOM 0 H LEU A 62 -2.081 6.025 6.304 1.00 0.00 H new ATOM 0 HA LEU A 62 0.034 3.966 6.535 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.077 5.606 4.308 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.668 5.445 4.333 1.00 0.00 H new ATOM 0 HG LEU A 62 0.508 3.022 4.230 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.666 1.889 3.975 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.527 2.707 5.550 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.500 3.437 4.251 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.514 2.792 1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.298 4.377 2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.476 4.265 2.117 1.00 0.00 H new ATOM 994 N ASP A 63 1.873 5.534 7.127 1.00 0.00 N ATOM 995 CA ASP A 63 2.894 6.423 7.668 1.00 0.00 C ATOM 996 C ASP A 63 4.015 6.637 6.656 1.00 0.00 C ATOM 997 O ASP A 63 4.586 5.677 6.138 1.00 0.00 O ATOM 998 CB ASP A 63 3.470 5.851 8.965 1.00 0.00 C ATOM 999 CG ASP A 63 2.416 5.680 10.041 1.00 0.00 C ATOM 1000 OD1 ASP A 63 1.748 4.624 10.054 1.00 0.00 O ATOM 1001 OD2 ASP A 63 2.260 6.599 10.872 1.00 0.00 O ATOM 0 H ASP A 63 2.151 4.554 7.076 1.00 0.00 H new ATOM 0 HA ASP A 63 2.426 7.384 7.881 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.934 4.887 8.759 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.256 6.511 9.332 1.00 0.00 H new ATOM 1006 N ARG A 64 4.323 7.900 6.380 1.00 0.00 N ATOM 1007 CA ARG A 64 5.373 8.241 5.429 1.00 0.00 C ATOM 1008 C ARG A 64 6.728 7.731 5.911 1.00 0.00 C ATOM 1009 O ARG A 64 7.195 8.103 6.989 1.00 0.00 O ATOM 1010 CB ARG A 64 5.425 9.755 5.222 1.00 0.00 C ATOM 1011 CG ARG A 64 6.457 10.196 4.199 1.00 0.00 C ATOM 1012 CD ARG A 64 6.329 11.679 3.886 1.00 0.00 C ATOM 1013 NE ARG A 64 5.010 12.012 3.355 1.00 0.00 N ATOM 1014 CZ ARG A 64 4.722 13.171 2.770 1.00 0.00 C ATOM 1015 NH1 ARG A 64 5.655 14.104 2.643 1.00 0.00 N ATOM 1016 NH2 ARG A 64 3.499 13.397 2.311 1.00 0.00 N ATOM 0 H ARG A 64 3.859 8.705 6.802 1.00 0.00 H new ATOM 0 HA ARG A 64 5.143 7.760 4.478 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.442 10.104 4.907 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.643 10.236 6.176 1.00 0.00 H new ATOM 0 HG2 ARG A 64 7.458 9.987 4.576 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.334 9.617 3.283 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.513 12.258 4.791 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.094 11.965 3.164 1.00 0.00 H new ATOM 0 HE ARG A 64 4.268 11.317 3.437 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.597 13.934 2.994 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.431 14.992 2.194 1.00 0.00 H new ATOM 0 HH21 ARG A 64 2.778 12.682 2.406 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.279 14.286 1.862 1.00 0.00 H new ATOM 1030 N ARG A 65 7.352 6.876 5.107 1.00 0.00 N ATOM 1031 CA ARG A 65 8.652 6.311 5.450 1.00 0.00 C ATOM 1032 C ARG A 65 9.561 6.256 4.228 1.00 0.00 C ATOM 1033 O ARG A 65 9.282 5.538 3.267 1.00 0.00 O ATOM 1034 CB ARG A 65 8.478 4.908 6.037 1.00 0.00 C ATOM 1035 CG ARG A 65 9.777 4.279 6.514 1.00 0.00 C ATOM 1036 CD ARG A 65 9.537 2.916 7.142 1.00 0.00 C ATOM 1037 NE ARG A 65 10.750 2.365 7.741 1.00 0.00 N ATOM 1038 CZ ARG A 65 10.781 1.768 8.929 1.00 0.00 C ATOM 1039 NH1 ARG A 65 9.670 1.650 9.645 1.00 0.00 N ATOM 1040 NH2 ARG A 65 11.922 1.289 9.402 1.00 0.00 N ATOM 0 H ARG A 65 6.978 6.559 4.213 1.00 0.00 H new ATOM 0 HA ARG A 65 9.118 6.956 6.195 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.780 4.958 6.873 1.00 0.00 H new ATOM 0 HB3 ARG A 65 8.027 4.262 5.284 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.464 4.178 5.674 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.256 4.936 7.240 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.763 3.000 7.905 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.164 2.228 6.383 1.00 0.00 H new ATOM 0 HE ARG A 65 11.623 2.443 7.219 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.789 2.018 9.284 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.697 1.192 10.556 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.778 1.378 8.855 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.944 0.831 10.313 1.00 0.00 H new ATOM 1054 N LEU A 66 10.650 7.017 4.271 1.00 0.00 N ATOM 1055 CA LEU A 66 11.599 7.053 3.165 1.00 0.00 C ATOM 1056 C LEU A 66 12.905 6.364 3.546 1.00 0.00 C ATOM 1057 O LEU A 66 13.382 6.491 4.673 1.00 0.00 O ATOM 1058 CB LEU A 66 11.872 8.498 2.734 1.00 0.00 C ATOM 1059 CG LEU A 66 12.511 9.395 3.799 1.00 0.00 C ATOM 1060 CD1 LEU A 66 13.262 10.542 3.143 1.00 0.00 C ATOM 1061 CD2 LEU A 66 11.451 9.933 4.751 1.00 0.00 C ATOM 0 H LEU A 66 10.897 7.616 5.059 1.00 0.00 H new ATOM 0 HA LEU A 66 11.157 6.515 2.326 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.523 8.481 1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.930 8.949 2.421 1.00 0.00 H new ATOM 0 HG LEU A 66 13.219 8.797 4.373 1.00 0.00 H new ATOM 0 HD11 LEU A 66 13.710 11.171 3.912 1.00 0.00 H new ATOM 0 HD12 LEU A 66 14.045 10.143 2.499 1.00 0.00 H new ATOM 0 HD13 LEU A 66 12.570 11.137 2.547 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.924 10.568 5.500 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.720 10.516 4.190 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.949 9.101 5.245 1.00 0.00 H new