USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 408 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 14 TYR OH : rot 130:sc= 0.0462 USER MOD Set 1.2: A 30 LYS NZ :NH3+ -133:sc= 0.048 (180deg=0) USER MOD Single : A 1 VAL N :NH3+ -107:sc= -0.169 (180deg=-0.334) USER MOD Single : A 5 TYR OH : rot -168:sc= 0.357 USER MOD Single : A 8 GLN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 11 ASN : amide:sc= 1.28 K(o=1.3,f=-6.8!) USER MOD Single : A 12 CYS SG : rot 52:sc= 0.238 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.131 USER MOD Single : A 25 THR OG1 : rot 87:sc= 1.32 USER MOD Single : A 28 LYS NZ :NH3+ -120:sc= 0.0117 (180deg=-0.45) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.3 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS :FLIP no HE2:sc= 0.0624 F(o=-1,f=0.062) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.592 X(o=-0.59,f=-0.84) USER MOD Single : A 50 ASN : amide:sc= 1 K(o=1,f=-5.1!) USER MOD Single : A 55 ASN : amide:sc= -0.508 K(o=-0.51,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.449 12.060 5.937 1.00 0.00 N ATOM 2 CA VAL A 1 6.079 10.781 5.278 1.00 0.00 C ATOM 3 C VAL A 1 5.071 10.027 6.110 1.00 0.00 C ATOM 4 O VAL A 1 4.720 10.442 7.216 1.00 0.00 O ATOM 5 CB VAL A 1 7.316 9.908 5.024 1.00 0.00 C ATOM 6 CG1 VAL A 1 8.223 10.574 3.965 1.00 0.00 C ATOM 7 CG2 VAL A 1 8.086 9.592 6.326 1.00 0.00 C ATOM 0 H1 VAL A 1 6.016 12.853 5.423 1.00 0.00 H new ATOM 0 H2 VAL A 1 6.107 12.056 6.919 1.00 0.00 H new ATOM 0 H3 VAL A 1 7.483 12.167 5.931 1.00 0.00 H new ATOM 0 HA VAL A 1 5.630 11.022 4.315 1.00 0.00 H new ATOM 0 HB VAL A 1 6.978 8.948 4.634 1.00 0.00 H new ATOM 0 HG11 VAL A 1 9.098 9.948 3.790 1.00 0.00 H new ATOM 0 HG12 VAL A 1 7.669 10.691 3.034 1.00 0.00 H new ATOM 0 HG13 VAL A 1 8.542 11.553 4.323 1.00 0.00 H new ATOM 0 HG21 VAL A 1 8.952 8.972 6.095 1.00 0.00 H new ATOM 0 HG22 VAL A 1 8.418 10.522 6.787 1.00 0.00 H new ATOM 0 HG23 VAL A 1 7.432 9.058 7.015 1.00 0.00 H new ATOM 19 N ARG A 2 4.591 8.869 5.591 1.00 0.00 N ATOM 20 CA ARG A 2 3.882 7.894 6.383 1.00 0.00 C ATOM 21 C ARG A 2 4.783 6.698 6.438 1.00 0.00 C ATOM 22 O ARG A 2 5.727 6.576 5.654 1.00 0.00 O ATOM 23 CB ARG A 2 2.543 7.355 5.798 1.00 0.00 C ATOM 24 CG ARG A 2 1.488 8.401 5.397 1.00 0.00 C ATOM 25 CD ARG A 2 1.670 8.915 3.956 1.00 0.00 C ATOM 26 NE ARG A 2 0.340 9.239 3.326 1.00 0.00 N ATOM 27 CZ ARG A 2 -0.418 10.329 3.646 1.00 0.00 C ATOM 28 NH1 ARG A 2 -0.038 11.209 4.616 1.00 0.00 N ATOM 29 NH2 ARG A 2 -1.582 10.529 2.959 1.00 0.00 N ATOM 0 H ARG A 2 4.696 8.607 4.611 1.00 0.00 H new ATOM 0 HA ARG A 2 3.635 8.389 7.322 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.775 6.753 4.920 1.00 0.00 H new ATOM 0 HB3 ARG A 2 2.096 6.687 6.534 1.00 0.00 H new ATOM 0 HG2 ARG A 2 0.494 7.965 5.499 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.539 9.243 6.087 1.00 0.00 H new ATOM 0 HD2 ARG A 2 2.301 9.804 3.960 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.185 8.162 3.360 1.00 0.00 H new ATOM 0 HE ARG A 2 -0.018 8.602 2.614 1.00 0.00 H new ATOM 0 HH11 ARG A 2 0.834 11.062 5.125 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -0.625 12.014 4.833 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.863 9.873 2.230 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -2.170 11.334 3.175 1.00 0.00 H new ATOM 43 N ASP A 3 4.449 5.746 7.332 1.00 0.00 N ATOM 44 CA ASP A 3 4.905 4.393 7.249 1.00 0.00 C ATOM 45 C ASP A 3 3.545 3.793 7.381 1.00 0.00 C ATOM 46 O ASP A 3 2.818 4.192 8.293 1.00 0.00 O ATOM 47 CB ASP A 3 5.821 3.929 8.412 1.00 0.00 C ATOM 48 CG ASP A 3 7.090 4.785 8.458 1.00 0.00 C ATOM 49 OD1 ASP A 3 7.791 4.863 7.415 1.00 0.00 O ATOM 50 OD2 ASP A 3 7.377 5.367 9.538 1.00 0.00 O ATOM 0 H ASP A 3 3.845 5.924 8.134 1.00 0.00 H new ATOM 0 HA ASP A 3 5.523 4.156 6.383 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.287 4.006 9.359 1.00 0.00 H new ATOM 0 HB3 ASP A 3 6.086 2.880 8.280 1.00 0.00 H new ATOM 55 N GLY A 4 3.113 2.956 6.418 1.00 0.00 N ATOM 56 CA GLY A 4 1.753 2.498 6.426 1.00 0.00 C ATOM 57 C GLY A 4 1.710 1.292 5.560 1.00 0.00 C ATOM 58 O GLY A 4 2.746 0.820 5.090 1.00 0.00 O ATOM 0 H GLY A 4 3.687 2.603 5.652 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.430 2.260 7.439 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.081 3.270 6.050 1.00 0.00 H new ATOM 62 N TYR A 5 0.482 0.823 5.255 1.00 0.00 N ATOM 63 CA TYR A 5 0.254 -0.114 4.190 1.00 0.00 C ATOM 64 C TYR A 5 -0.088 0.764 3.037 1.00 0.00 C ATOM 65 O TYR A 5 -0.805 1.736 3.233 1.00 0.00 O ATOM 66 CB TYR A 5 -0.959 -1.040 4.434 1.00 0.00 C ATOM 67 CG TYR A 5 -0.499 -2.359 4.948 1.00 0.00 C ATOM 68 CD1 TYR A 5 -0.050 -2.521 6.263 1.00 0.00 C ATOM 69 CD2 TYR A 5 -0.469 -3.453 4.074 1.00 0.00 C ATOM 70 CE1 TYR A 5 0.473 -3.752 6.673 1.00 0.00 C ATOM 71 CE2 TYR A 5 0.016 -4.692 4.487 1.00 0.00 C ATOM 72 CZ TYR A 5 0.499 -4.836 5.792 1.00 0.00 C ATOM 73 OH TYR A 5 1.014 -6.065 6.227 1.00 0.00 O ATOM 0 H TYR A 5 -0.364 1.097 5.754 1.00 0.00 H new ATOM 0 HA TYR A 5 1.120 -0.764 4.064 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -1.640 -0.579 5.150 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.515 -1.176 3.507 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.107 -1.698 6.960 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.828 -3.334 3.062 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.859 -3.865 7.675 1.00 0.00 H new ATOM 0 HE2 TYR A 5 0.019 -5.532 3.808 1.00 0.00 H new ATOM 0 HH TYR A 5 1.142 -6.657 5.457 1.00 0.00 H new ATOM 83 N ILE A 6 0.421 0.463 1.825 1.00 0.00 N ATOM 84 CA ILE A 6 0.078 1.143 0.602 1.00 0.00 C ATOM 85 C ILE A 6 -1.093 0.411 -0.022 1.00 0.00 C ATOM 86 O ILE A 6 -1.188 -0.825 0.062 1.00 0.00 O ATOM 87 CB ILE A 6 1.260 1.326 -0.359 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.003 2.392 -1.457 1.00 0.00 C ATOM 89 CG2 ILE A 6 1.706 -0.027 -0.926 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.146 2.532 -2.469 1.00 0.00 C ATOM 0 H ILE A 6 1.101 -0.285 1.688 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.211 2.168 0.834 1.00 0.00 H new ATOM 0 HB ILE A 6 2.089 1.731 0.221 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.088 2.136 -1.991 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.834 3.357 -0.980 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.545 0.122 -1.606 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.012 -0.681 -0.109 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.878 -0.486 -1.467 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.890 3.296 -3.203 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.059 2.820 -1.949 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.302 1.580 -2.976 1.00 0.00 H new ATOM 102 N ALA A 7 -1.979 1.224 -0.651 1.00 0.00 N ATOM 103 CA ALA A 7 -3.157 0.849 -1.372 1.00 0.00 C ATOM 104 C ALA A 7 -2.853 1.015 -2.831 1.00 0.00 C ATOM 105 O ALA A 7 -1.762 0.696 -3.287 1.00 0.00 O ATOM 106 CB ALA A 7 -4.322 1.802 -1.052 1.00 0.00 C ATOM 0 H ALA A 7 -1.850 2.236 -0.649 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.433 -0.171 -1.104 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.206 1.497 -1.612 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.538 1.766 0.016 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.048 2.819 -1.333 1.00 0.00 H new ATOM 112 N GLN A 8 -3.828 1.566 -3.584 1.00 0.00 N ATOM 113 CA GLN A 8 -3.714 2.073 -4.912 1.00 0.00 C ATOM 114 C GLN A 8 -4.586 3.276 -4.685 1.00 0.00 C ATOM 115 O GLN A 8 -5.407 3.182 -3.762 1.00 0.00 O ATOM 116 CB GLN A 8 -4.361 1.151 -5.974 1.00 0.00 C ATOM 117 CG GLN A 8 -3.660 -0.210 -6.062 1.00 0.00 C ATOM 118 CD GLN A 8 -4.414 -1.109 -7.041 1.00 0.00 C ATOM 119 OE1 GLN A 8 -4.116 -1.119 -8.240 1.00 0.00 O ATOM 120 NE2 GLN A 8 -5.418 -1.866 -6.511 1.00 0.00 N ATOM 0 H GLN A 8 -4.778 1.662 -3.225 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.700 2.215 -5.285 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.413 1.001 -5.731 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.326 1.640 -6.948 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.629 -0.079 -6.391 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.623 -0.677 -5.078 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.620 -1.818 -5.512 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.966 -2.480 -7.113 1.00 0.00 H new ATOM 129 N PRO A 9 -4.474 4.391 -5.397 1.00 0.00 N ATOM 130 CA PRO A 9 -5.210 5.597 -5.061 1.00 0.00 C ATOM 131 C PRO A 9 -6.668 5.401 -5.419 1.00 0.00 C ATOM 132 O PRO A 9 -6.948 4.568 -6.275 1.00 0.00 O ATOM 133 CB PRO A 9 -4.574 6.690 -5.940 1.00 0.00 C ATOM 134 CG PRO A 9 -3.930 5.938 -7.113 1.00 0.00 C ATOM 135 CD PRO A 9 -3.512 4.608 -6.480 1.00 0.00 C ATOM 0 HA PRO A 9 -5.166 5.852 -4.002 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.324 7.399 -6.291 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.831 7.261 -5.383 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.633 5.792 -7.933 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.075 6.479 -7.519 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.545 3.796 -7.207 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.492 4.654 -6.100 1.00 0.00 H new ATOM 143 N GLU A 10 -7.639 6.110 -4.797 1.00 0.00 N ATOM 144 CA GLU A 10 -7.459 7.087 -3.744 1.00 0.00 C ATOM 145 C GLU A 10 -7.373 6.348 -2.442 1.00 0.00 C ATOM 146 O GLU A 10 -6.726 6.798 -1.501 1.00 0.00 O ATOM 147 CB GLU A 10 -8.621 8.105 -3.655 1.00 0.00 C ATOM 148 CG GLU A 10 -8.892 8.872 -4.964 1.00 0.00 C ATOM 149 CD GLU A 10 -7.683 9.728 -5.342 1.00 0.00 C ATOM 150 OE1 GLU A 10 -7.325 10.631 -4.537 1.00 0.00 O ATOM 151 OE2 GLU A 10 -7.101 9.492 -6.433 1.00 0.00 O ATOM 0 H GLU A 10 -8.621 5.994 -5.046 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.553 7.652 -3.964 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.529 7.578 -3.361 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.400 8.823 -2.865 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.112 8.168 -5.766 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.771 9.505 -4.846 1.00 0.00 H new ATOM 158 N ASN A 11 -8.018 5.168 -2.398 1.00 0.00 N ATOM 159 CA ASN A 11 -8.015 4.242 -1.330 1.00 0.00 C ATOM 160 C ASN A 11 -8.411 3.072 -2.167 1.00 0.00 C ATOM 161 O ASN A 11 -9.056 3.282 -3.199 1.00 0.00 O ATOM 162 CB ASN A 11 -9.099 4.486 -0.253 1.00 0.00 C ATOM 163 CG ASN A 11 -8.917 3.435 0.837 1.00 0.00 C ATOM 164 OD1 ASN A 11 -7.775 3.189 1.244 1.00 0.00 O ATOM 165 ND2 ASN A 11 -10.009 2.792 1.318 1.00 0.00 N ATOM 0 H ASN A 11 -8.586 4.845 -3.181 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.098 4.215 -0.742 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.005 5.489 0.164 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.095 4.415 -0.690 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.904 2.079 2.040 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.936 3.021 0.958 1.00 0.00 H new ATOM 172 N CYS A 12 -8.018 1.871 -1.738 1.00 0.00 N ATOM 173 CA CYS A 12 -8.248 0.574 -2.314 1.00 0.00 C ATOM 174 C CYS A 12 -7.324 -0.184 -1.438 1.00 0.00 C ATOM 175 O CYS A 12 -7.065 0.264 -0.324 1.00 0.00 O ATOM 176 CB CYS A 12 -7.920 0.397 -3.822 1.00 0.00 C ATOM 177 SG CYS A 12 -9.335 0.779 -4.878 1.00 0.00 S ATOM 0 H CYS A 12 -7.470 1.792 -0.881 1.00 0.00 H new ATOM 0 HA CYS A 12 -9.298 0.282 -2.336 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -7.085 1.044 -4.089 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.599 -0.629 -4.004 1.00 0.00 H new ATOM 0 HG CYS A 12 -9.805 1.951 -4.567 1.00 0.00 H new ATOM 182 N VAL A 13 -6.797 -1.314 -1.916 1.00 0.00 N ATOM 183 CA VAL A 13 -5.708 -2.019 -1.343 1.00 0.00 C ATOM 184 C VAL A 13 -4.951 -2.227 -2.607 1.00 0.00 C ATOM 185 O VAL A 13 -5.492 -1.984 -3.696 1.00 0.00 O ATOM 186 CB VAL A 13 -6.062 -3.366 -0.719 1.00 0.00 C ATOM 187 CG1 VAL A 13 -6.410 -3.115 0.751 1.00 0.00 C ATOM 188 CG2 VAL A 13 -7.205 -4.086 -1.464 1.00 0.00 C ATOM 0 H VAL A 13 -7.156 -1.764 -2.758 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.225 -1.503 -0.513 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.208 -4.039 -0.798 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.669 -4.059 1.230 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.552 -2.674 1.258 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.258 -2.432 0.813 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.414 -5.038 -0.976 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.100 -3.464 -1.445 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.910 -4.265 -2.498 1.00 0.00 H new ATOM 198 N TYR A 14 -3.702 -2.712 -2.490 1.00 0.00 N ATOM 199 CA TYR A 14 -3.022 -3.318 -3.602 1.00 0.00 C ATOM 200 C TYR A 14 -3.441 -4.763 -3.579 1.00 0.00 C ATOM 201 O TYR A 14 -4.482 -5.102 -3.024 1.00 0.00 O ATOM 202 CB TYR A 14 -1.475 -3.115 -3.592 1.00 0.00 C ATOM 203 CG TYR A 14 -0.967 -2.471 -4.866 1.00 0.00 C ATOM 204 CD1 TYR A 14 -1.369 -2.949 -6.130 1.00 0.00 C ATOM 205 CD2 TYR A 14 -0.127 -1.344 -4.816 1.00 0.00 C ATOM 206 CE1 TYR A 14 -1.041 -2.253 -7.300 1.00 0.00 C ATOM 207 CE2 TYR A 14 0.220 -0.653 -5.986 1.00 0.00 C ATOM 208 CZ TYR A 14 -0.271 -1.084 -7.227 1.00 0.00 C ATOM 209 OH TYR A 14 -0.018 -0.339 -8.402 1.00 0.00 O ATOM 0 H TYR A 14 -3.159 -2.686 -1.627 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.305 -2.837 -4.538 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.199 -2.494 -2.740 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.986 -4.080 -3.456 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.938 -3.865 -6.197 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.256 -1.006 -3.864 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.381 -2.617 -8.258 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.865 0.211 -5.931 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.232 0.604 -8.244 1.00 0.00 H new ATOM 219 N HIS A 15 -2.649 -5.663 -4.168 1.00 0.00 N ATOM 220 CA HIS A 15 -2.817 -7.058 -3.967 1.00 0.00 C ATOM 221 C HIS A 15 -1.372 -7.341 -3.856 1.00 0.00 C ATOM 222 O HIS A 15 -0.581 -6.661 -4.514 1.00 0.00 O ATOM 223 CB HIS A 15 -3.467 -7.825 -5.136 1.00 0.00 C ATOM 224 CG HIS A 15 -4.956 -7.602 -5.169 1.00 0.00 C ATOM 225 ND1 HIS A 15 -5.559 -6.495 -5.708 1.00 0.00 N ATOM 226 CD2 HIS A 15 -5.927 -8.332 -4.574 1.00 0.00 C ATOM 227 CE1 HIS A 15 -6.859 -6.559 -5.448 1.00 0.00 C ATOM 228 NE2 HIS A 15 -7.107 -7.665 -4.760 1.00 0.00 N ATOM 0 H HIS A 15 -1.881 -5.419 -4.793 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.483 -7.348 -3.154 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -3.026 -7.500 -6.078 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -3.258 -8.890 -5.037 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -5.795 -9.267 -4.050 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -7.596 -5.828 -5.748 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -8.022 -7.967 -4.426 1.00 0.00 H new ATOM 237 N CYS A 16 -0.995 -8.274 -2.976 1.00 0.00 N ATOM 238 CA CYS A 16 0.351 -8.675 -2.775 1.00 0.00 C ATOM 239 C CYS A 16 0.053 -9.984 -2.133 1.00 0.00 C ATOM 240 O CYS A 16 -1.115 -10.375 -2.080 1.00 0.00 O ATOM 241 CB CYS A 16 1.177 -7.747 -1.859 1.00 0.00 C ATOM 242 SG CYS A 16 2.954 -8.124 -1.899 1.00 0.00 S ATOM 0 H CYS A 16 -1.657 -8.770 -2.379 1.00 0.00 H new ATOM 0 HA CYS A 16 0.973 -8.679 -3.670 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.022 -6.712 -2.163 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.814 -7.836 -0.835 1.00 0.00 H new ATOM 247 N PHE A 17 1.076 -10.700 -1.651 1.00 0.00 N ATOM 248 CA PHE A 17 1.028 -12.101 -1.395 1.00 0.00 C ATOM 249 C PHE A 17 1.706 -12.189 -0.059 1.00 0.00 C ATOM 250 O PHE A 17 2.251 -11.163 0.353 1.00 0.00 O ATOM 251 CB PHE A 17 1.903 -12.830 -2.453 1.00 0.00 C ATOM 252 CG PHE A 17 1.599 -12.321 -3.847 1.00 0.00 C ATOM 253 CD1 PHE A 17 0.342 -12.551 -4.434 1.00 0.00 C ATOM 254 CD2 PHE A 17 2.531 -11.521 -4.543 1.00 0.00 C ATOM 255 CE1 PHE A 17 0.036 -12.038 -5.700 1.00 0.00 C ATOM 256 CE2 PHE A 17 2.225 -11.011 -5.811 1.00 0.00 C ATOM 257 CZ PHE A 17 0.981 -11.277 -6.394 1.00 0.00 C ATOM 0 H PHE A 17 1.980 -10.284 -1.429 1.00 0.00 H new ATOM 0 HA PHE A 17 0.029 -12.535 -1.424 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.958 -12.676 -2.227 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.720 -13.903 -2.405 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.397 -13.131 -3.901 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.488 -11.300 -4.094 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.931 -12.230 -6.141 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.951 -10.411 -6.340 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.752 -10.895 -7.378 1.00 0.00 H new ATOM 267 N PRO A 18 1.790 -13.305 0.655 1.00 0.00 N ATOM 268 CA PRO A 18 2.755 -13.490 1.737 1.00 0.00 C ATOM 269 C PRO A 18 4.163 -13.620 1.167 1.00 0.00 C ATOM 270 O PRO A 18 4.811 -14.652 1.333 1.00 0.00 O ATOM 271 CB PRO A 18 2.280 -14.781 2.427 1.00 0.00 C ATOM 272 CG PRO A 18 1.562 -15.567 1.321 1.00 0.00 C ATOM 273 CD PRO A 18 0.914 -14.464 0.485 1.00 0.00 C ATOM 0 HA PRO A 18 2.803 -12.654 2.435 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.119 -15.345 2.834 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.609 -14.563 3.258 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.258 -16.164 0.732 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.820 -16.253 1.729 1.00 0.00 H new ATOM 0 HD2 PRO A 18 0.840 -14.754 -0.563 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -0.098 -14.249 0.829 1.00 0.00 H new ATOM 281 N GLY A 19 4.638 -12.566 0.484 1.00 0.00 N ATOM 282 CA GLY A 19 5.924 -12.499 -0.134 1.00 0.00 C ATOM 283 C GLY A 19 5.804 -11.195 -0.841 1.00 0.00 C ATOM 284 O GLY A 19 4.740 -10.881 -1.372 1.00 0.00 O ATOM 0 H GLY A 19 4.094 -11.713 0.356 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.736 -12.506 0.593 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.101 -13.329 -0.818 1.00 0.00 H new ATOM 288 N SER A 20 6.872 -10.377 -0.817 1.00 0.00 N ATOM 289 CA SER A 20 6.827 -8.990 -1.184 1.00 0.00 C ATOM 290 C SER A 20 6.999 -8.768 -2.660 1.00 0.00 C ATOM 291 O SER A 20 6.799 -7.650 -3.135 1.00 0.00 O ATOM 292 CB SER A 20 7.980 -8.230 -0.494 1.00 0.00 C ATOM 293 OG SER A 20 8.125 -8.684 0.850 1.00 0.00 O ATOM 0 H SER A 20 7.800 -10.689 -0.533 1.00 0.00 H new ATOM 0 HA SER A 20 5.845 -8.631 -0.876 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.909 -8.386 -1.042 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.779 -7.159 -0.505 1.00 0.00 H new ATOM 0 HG SER A 20 8.859 -8.199 1.282 1.00 0.00 H new ATOM 299 N SER A 21 7.403 -9.821 -3.399 1.00 0.00 N ATOM 300 CA SER A 21 8.130 -9.804 -4.647 1.00 0.00 C ATOM 301 C SER A 21 7.765 -8.746 -5.653 1.00 0.00 C ATOM 302 O SER A 21 8.627 -8.006 -6.124 1.00 0.00 O ATOM 303 CB SER A 21 8.041 -11.198 -5.297 1.00 0.00 C ATOM 304 OG SER A 21 8.148 -12.186 -4.273 1.00 0.00 O ATOM 0 H SER A 21 7.204 -10.775 -3.098 1.00 0.00 H new ATOM 0 HA SER A 21 9.146 -9.534 -4.361 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.097 -11.307 -5.830 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.838 -11.325 -6.030 1.00 0.00 H new ATOM 0 HG SER A 21 8.091 -13.079 -4.673 1.00 0.00 H new ATOM 310 N GLY A 22 6.468 -8.642 -6.015 1.00 0.00 N ATOM 311 CA GLY A 22 6.043 -7.742 -7.065 1.00 0.00 C ATOM 312 C GLY A 22 5.827 -6.370 -6.511 1.00 0.00 C ATOM 313 O GLY A 22 6.185 -5.359 -7.121 1.00 0.00 O ATOM 0 H GLY A 22 5.712 -9.176 -5.586 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.795 -7.710 -7.853 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.122 -8.109 -7.518 1.00 0.00 H new ATOM 317 N CYS A 23 5.221 -6.292 -5.306 1.00 0.00 N ATOM 318 CA CYS A 23 4.760 -5.028 -4.791 1.00 0.00 C ATOM 319 C CYS A 23 5.894 -4.280 -4.156 1.00 0.00 C ATOM 320 O CYS A 23 5.793 -3.078 -3.940 1.00 0.00 O ATOM 321 CB CYS A 23 3.593 -5.149 -3.799 1.00 0.00 C ATOM 322 SG CYS A 23 2.655 -3.599 -3.645 1.00 0.00 S ATOM 0 H CYS A 23 5.051 -7.090 -4.694 1.00 0.00 H new ATOM 0 HA CYS A 23 4.378 -4.476 -5.650 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.924 -5.945 -4.124 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.979 -5.436 -2.821 1.00 0.00 H new ATOM 327 N ASP A 24 7.025 -4.964 -3.880 1.00 0.00 N ATOM 328 CA ASP A 24 8.262 -4.340 -3.475 1.00 0.00 C ATOM 329 C ASP A 24 8.718 -3.387 -4.558 1.00 0.00 C ATOM 330 O ASP A 24 9.045 -2.239 -4.280 1.00 0.00 O ATOM 331 CB ASP A 24 9.360 -5.391 -3.177 1.00 0.00 C ATOM 332 CG ASP A 24 10.436 -4.801 -2.266 1.00 0.00 C ATOM 333 OD1 ASP A 24 11.395 -4.183 -2.796 1.00 0.00 O ATOM 334 OD2 ASP A 24 10.302 -4.962 -1.023 1.00 0.00 O ATOM 0 H ASP A 24 7.085 -5.981 -3.939 1.00 0.00 H new ATOM 0 HA ASP A 24 8.086 -3.788 -2.552 1.00 0.00 H new ATOM 0 HB2 ASP A 24 8.915 -6.266 -2.703 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.811 -5.728 -4.110 1.00 0.00 H new ATOM 339 N THR A 25 8.666 -3.820 -5.839 1.00 0.00 N ATOM 340 CA THR A 25 8.912 -2.980 -6.997 1.00 0.00 C ATOM 341 C THR A 25 7.959 -1.808 -7.044 1.00 0.00 C ATOM 342 O THR A 25 8.366 -0.669 -7.262 1.00 0.00 O ATOM 343 CB THR A 25 8.779 -3.746 -8.315 1.00 0.00 C ATOM 344 OG1 THR A 25 8.579 -5.136 -8.074 1.00 0.00 O ATOM 345 CG2 THR A 25 10.060 -3.558 -9.151 1.00 0.00 C ATOM 0 H THR A 25 8.446 -4.785 -6.084 1.00 0.00 H new ATOM 0 HA THR A 25 9.938 -2.629 -6.888 1.00 0.00 H new ATOM 0 HB THR A 25 7.917 -3.355 -8.856 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.622 -5.313 -7.956 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.965 -4.104 -10.090 1.00 0.00 H new ATOM 0 HG22 THR A 25 10.206 -2.498 -9.360 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.917 -3.939 -8.595 1.00 0.00 H new ATOM 353 N LEU A 26 6.651 -2.080 -6.834 1.00 0.00 N ATOM 354 CA LEU A 26 5.610 -1.072 -6.928 1.00 0.00 C ATOM 355 C LEU A 26 5.748 -0.034 -5.842 1.00 0.00 C ATOM 356 O LEU A 26 5.583 1.165 -6.066 1.00 0.00 O ATOM 357 CB LEU A 26 4.200 -1.687 -6.819 1.00 0.00 C ATOM 358 CG LEU A 26 3.896 -2.760 -7.893 1.00 0.00 C ATOM 359 CD1 LEU A 26 2.531 -3.425 -7.646 1.00 0.00 C ATOM 360 CD2 LEU A 26 3.996 -2.214 -9.330 1.00 0.00 C ATOM 0 H LEU A 26 6.304 -3.009 -6.596 1.00 0.00 H new ATOM 0 HA LEU A 26 5.731 -0.608 -7.907 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.085 -2.134 -5.831 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.460 -0.890 -6.897 1.00 0.00 H new ATOM 0 HG LEU A 26 4.670 -3.521 -7.796 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.346 -4.174 -8.416 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.532 -3.904 -6.667 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.747 -2.669 -7.679 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.773 -3.012 -10.039 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.281 -1.401 -9.461 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.005 -1.842 -9.509 1.00 0.00 H new ATOM 372 N CYS A 27 6.109 -0.492 -4.628 1.00 0.00 N ATOM 373 CA CYS A 27 6.441 0.318 -3.474 1.00 0.00 C ATOM 374 C CYS A 27 7.504 1.333 -3.820 1.00 0.00 C ATOM 375 O CYS A 27 7.371 2.506 -3.474 1.00 0.00 O ATOM 376 CB CYS A 27 6.924 -0.551 -2.276 1.00 0.00 C ATOM 377 SG CYS A 27 7.127 0.341 -0.706 1.00 0.00 S ATOM 0 H CYS A 27 6.176 -1.491 -4.431 1.00 0.00 H new ATOM 0 HA CYS A 27 5.529 0.835 -3.176 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.211 -1.362 -2.125 1.00 0.00 H new ATOM 0 HB3 CYS A 27 7.877 -1.009 -2.541 1.00 0.00 H new ATOM 382 N LYS A 28 8.567 0.918 -4.551 1.00 0.00 N ATOM 383 CA LYS A 28 9.652 1.794 -4.940 1.00 0.00 C ATOM 384 C LYS A 28 9.152 2.921 -5.792 1.00 0.00 C ATOM 385 O LYS A 28 9.374 4.084 -5.470 1.00 0.00 O ATOM 386 CB LYS A 28 10.787 1.095 -5.735 1.00 0.00 C ATOM 387 CG LYS A 28 11.563 0.024 -4.947 1.00 0.00 C ATOM 388 CD LYS A 28 12.194 0.520 -3.633 1.00 0.00 C ATOM 389 CE LYS A 28 13.235 1.634 -3.816 1.00 0.00 C ATOM 390 NZ LYS A 28 13.635 2.182 -2.501 1.00 0.00 N ATOM 0 H LYS A 28 8.678 -0.041 -4.879 1.00 0.00 H new ATOM 0 HA LYS A 28 10.062 2.148 -3.994 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.357 0.632 -6.623 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.490 1.853 -6.079 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.888 -0.801 -4.721 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.352 -0.376 -5.584 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.402 0.882 -2.977 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.666 -0.323 -3.128 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.109 1.243 -4.336 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.823 2.428 -4.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.411 3.197 -2.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.118 1.686 -1.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.657 2.048 -2.366 1.00 0.00 H new ATOM 404 N GLU A 29 8.440 2.608 -6.896 1.00 0.00 N ATOM 405 CA GLU A 29 8.037 3.617 -7.856 1.00 0.00 C ATOM 406 C GLU A 29 6.957 4.539 -7.331 1.00 0.00 C ATOM 407 O GLU A 29 6.806 5.647 -7.842 1.00 0.00 O ATOM 408 CB GLU A 29 7.624 3.032 -9.234 1.00 0.00 C ATOM 409 CG GLU A 29 6.693 1.812 -9.165 1.00 0.00 C ATOM 410 CD GLU A 29 6.357 1.321 -10.572 1.00 0.00 C ATOM 411 OE1 GLU A 29 5.597 2.033 -11.280 1.00 0.00 O ATOM 412 OE2 GLU A 29 6.848 0.224 -10.950 1.00 0.00 O ATOM 0 H GLU A 29 8.141 1.661 -7.130 1.00 0.00 H new ATOM 0 HA GLU A 29 8.937 4.212 -8.012 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.132 3.814 -9.812 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.526 2.753 -9.779 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.171 1.013 -8.598 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.777 2.075 -8.636 1.00 0.00 H new ATOM 419 N LYS A 30 6.201 4.123 -6.286 1.00 0.00 N ATOM 420 CA LYS A 30 5.247 4.991 -5.620 1.00 0.00 C ATOM 421 C LYS A 30 5.919 5.751 -4.498 1.00 0.00 C ATOM 422 O LYS A 30 5.335 6.682 -3.941 1.00 0.00 O ATOM 423 CB LYS A 30 4.003 4.247 -5.073 1.00 0.00 C ATOM 424 CG LYS A 30 2.894 4.021 -6.123 1.00 0.00 C ATOM 425 CD LYS A 30 3.161 2.928 -7.171 1.00 0.00 C ATOM 426 CE LYS A 30 2.082 2.878 -8.262 1.00 0.00 C ATOM 427 NZ LYS A 30 2.350 1.797 -9.240 1.00 0.00 N ATOM 0 H LYS A 30 6.247 3.181 -5.897 1.00 0.00 H new ATOM 0 HA LYS A 30 4.889 5.682 -6.383 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.316 3.281 -4.676 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.590 4.815 -4.240 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.971 3.774 -5.598 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.721 4.962 -6.646 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.132 3.103 -7.634 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.215 1.959 -6.674 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.106 2.721 -7.803 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.041 3.837 -8.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.243 2.168 -10.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.320 1.444 -9.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.676 1.019 -9.091 1.00 0.00 H new ATOM 441 N GLY A 31 7.186 5.417 -4.182 1.00 0.00 N ATOM 442 CA GLY A 31 8.065 6.297 -3.457 1.00 0.00 C ATOM 443 C GLY A 31 8.327 5.804 -2.080 1.00 0.00 C ATOM 444 O GLY A 31 8.614 6.611 -1.199 1.00 0.00 O ATOM 0 H GLY A 31 7.610 4.524 -4.432 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.008 6.392 -3.995 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.624 7.293 -3.409 1.00 0.00 H new ATOM 448 N GLY A 32 8.229 4.481 -1.825 1.00 0.00 N ATOM 449 CA GLY A 32 8.562 3.929 -0.536 1.00 0.00 C ATOM 450 C GLY A 32 9.960 3.408 -0.594 1.00 0.00 C ATOM 451 O GLY A 32 10.465 3.049 -1.660 1.00 0.00 O ATOM 0 H GLY A 32 7.919 3.792 -2.510 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.473 4.692 0.238 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.869 3.129 -0.276 1.00 0.00 H new ATOM 455 N THR A 33 10.632 3.365 0.577 1.00 0.00 N ATOM 456 CA THR A 33 11.977 2.878 0.713 1.00 0.00 C ATOM 457 C THR A 33 11.882 1.386 0.920 1.00 0.00 C ATOM 458 O THR A 33 11.969 0.596 -0.020 1.00 0.00 O ATOM 459 CB THR A 33 12.709 3.576 1.856 1.00 0.00 C ATOM 460 OG1 THR A 33 11.887 3.693 3.019 1.00 0.00 O ATOM 461 CG2 THR A 33 13.082 4.994 1.379 1.00 0.00 C ATOM 0 H THR A 33 10.226 3.680 1.458 1.00 0.00 H new ATOM 0 HA THR A 33 12.563 3.095 -0.180 1.00 0.00 H new ATOM 0 HB THR A 33 13.588 2.988 2.120 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.389 4.143 3.730 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.608 5.519 2.176 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.727 4.925 0.503 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.175 5.541 1.120 1.00 0.00 H new ATOM 469 N SER A 34 11.664 0.975 2.182 1.00 0.00 N ATOM 470 CA SER A 34 11.442 -0.400 2.536 1.00 0.00 C ATOM 471 C SER A 34 9.999 -0.688 2.256 1.00 0.00 C ATOM 472 O SER A 34 9.182 0.232 2.151 1.00 0.00 O ATOM 473 CB SER A 34 11.716 -0.700 4.028 1.00 0.00 C ATOM 474 OG SER A 34 13.013 -0.238 4.395 1.00 0.00 O ATOM 0 H SER A 34 11.641 1.611 2.979 1.00 0.00 H new ATOM 0 HA SER A 34 12.128 -1.020 1.959 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.961 -0.216 4.648 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.639 -1.772 4.211 1.00 0.00 H new ATOM 0 HG SER A 34 13.174 -0.432 5.342 1.00 0.00 H new ATOM 480 N GLY A 35 9.653 -1.981 2.140 1.00 0.00 N ATOM 481 CA GLY A 35 8.335 -2.406 1.827 1.00 0.00 C ATOM 482 C GLY A 35 8.416 -3.803 2.312 1.00 0.00 C ATOM 483 O GLY A 35 9.521 -4.263 2.616 1.00 0.00 O ATOM 0 H GLY A 35 10.312 -2.749 2.268 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.572 -1.825 2.345 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.115 -2.343 0.761 1.00 0.00 H new ATOM 487 N HIS A 36 7.261 -4.483 2.406 1.00 0.00 N ATOM 488 CA HIS A 36 7.119 -5.838 2.849 1.00 0.00 C ATOM 489 C HIS A 36 5.726 -6.067 2.355 1.00 0.00 C ATOM 490 O HIS A 36 5.128 -5.119 1.835 1.00 0.00 O ATOM 491 CB HIS A 36 7.106 -6.042 4.391 1.00 0.00 C ATOM 492 CG HIS A 36 8.322 -5.523 5.102 1.00 0.00 C ATOM 493 ND1 HIS A 36 8.469 -4.364 5.785 1.00 0.00 N flip ATOM 494 CD2 HIS A 36 9.531 -6.171 5.136 1.00 0.00 C flip ATOM 495 CE1 HIS A 36 9.762 -4.317 6.228 1.00 0.00 C flip ATOM 496 NE2 HIS A 36 10.382 -5.419 5.824 1.00 0.00 N flip ATOM 0 H HIS A 36 6.367 -4.060 2.157 1.00 0.00 H new ATOM 0 HA HIS A 36 7.933 -6.478 2.508 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.224 -5.550 4.802 1.00 0.00 H new ATOM 0 HB3 HIS A 36 7.005 -7.107 4.602 1.00 0.00 H new ATOM 0 HD1 HIS A 36 7.750 -3.658 5.940 1.00 0.00 H new ATOM 0 HD2 HIS A 36 9.752 -7.126 4.682 1.00 0.00 H new ATOM 0 HE1 HIS A 36 10.203 -3.520 6.807 1.00 0.00 H new ATOM 505 N CYS A 37 5.153 -7.269 2.567 1.00 0.00 N ATOM 506 CA CYS A 37 3.751 -7.502 2.407 1.00 0.00 C ATOM 507 C CYS A 37 3.563 -8.467 3.523 1.00 0.00 C ATOM 508 O CYS A 37 4.552 -9.018 4.006 1.00 0.00 O ATOM 509 CB CYS A 37 3.346 -8.165 1.073 1.00 0.00 C ATOM 510 SG CYS A 37 3.645 -7.059 -0.335 1.00 0.00 S ATOM 0 H CYS A 37 5.677 -8.095 2.856 1.00 0.00 H new ATOM 0 HA CYS A 37 3.159 -6.587 2.409 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.909 -9.088 0.938 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.291 -8.437 1.106 1.00 0.00 H new ATOM 515 N GLY A 38 2.315 -8.660 3.978 1.00 0.00 N ATOM 516 CA GLY A 38 1.956 -9.469 5.105 1.00 0.00 C ATOM 517 C GLY A 38 0.596 -8.902 5.312 1.00 0.00 C ATOM 518 O GLY A 38 0.255 -7.959 4.592 1.00 0.00 O ATOM 0 H GLY A 38 1.506 -8.226 3.534 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.947 -10.536 4.882 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.615 -9.328 5.962 1.00 0.00 H new ATOM 522 N PHE A 39 -0.208 -9.394 6.275 1.00 0.00 N ATOM 523 CA PHE A 39 -1.572 -8.951 6.414 1.00 0.00 C ATOM 524 C PHE A 39 -1.703 -8.202 7.716 1.00 0.00 C ATOM 525 O PHE A 39 -1.792 -8.805 8.783 1.00 0.00 O ATOM 526 CB PHE A 39 -2.560 -10.145 6.382 1.00 0.00 C ATOM 527 CG PHE A 39 -3.997 -9.694 6.264 1.00 0.00 C ATOM 528 CD1 PHE A 39 -4.550 -9.357 5.015 1.00 0.00 C ATOM 529 CD2 PHE A 39 -4.813 -9.613 7.406 1.00 0.00 C ATOM 530 CE1 PHE A 39 -5.893 -8.977 4.910 1.00 0.00 C ATOM 531 CE2 PHE A 39 -6.160 -9.256 7.299 1.00 0.00 C ATOM 532 CZ PHE A 39 -6.701 -8.936 6.050 1.00 0.00 C ATOM 0 H PHE A 39 0.081 -10.096 6.957 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.821 -8.299 5.577 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.315 -10.795 5.542 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.440 -10.738 7.289 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.933 -9.392 4.129 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.394 -9.829 8.378 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.306 -8.715 3.947 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.783 -9.227 8.181 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.741 -8.658 5.966 1.00 0.00 H new ATOM 542 N LYS A 40 -1.759 -6.857 7.640 1.00 0.00 N ATOM 543 CA LYS A 40 -2.361 -6.033 8.652 1.00 0.00 C ATOM 544 C LYS A 40 -3.235 -5.185 7.782 1.00 0.00 C ATOM 545 O LYS A 40 -2.839 -4.101 7.363 1.00 0.00 O ATOM 546 CB LYS A 40 -1.384 -5.103 9.416 1.00 0.00 C ATOM 547 CG LYS A 40 -0.162 -5.819 10.017 1.00 0.00 C ATOM 548 CD LYS A 40 0.870 -4.824 10.574 1.00 0.00 C ATOM 549 CE LYS A 40 2.211 -5.479 10.931 1.00 0.00 C ATOM 550 NZ LYS A 40 3.235 -4.447 11.220 1.00 0.00 N ATOM 0 H LYS A 40 -1.377 -6.328 6.856 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.825 -6.624 9.442 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.036 -4.325 8.736 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.929 -4.605 10.218 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.489 -6.487 10.814 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.307 -6.439 9.253 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.041 -4.038 9.838 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.460 -4.344 11.463 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.086 -6.128 11.798 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.545 -6.110 10.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.135 -4.909 11.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.367 -3.845 10.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.922 -3.862 12.021 1.00 0.00 H new ATOM 564 N VAL A 41 -4.420 -5.690 7.397 1.00 0.00 N ATOM 565 CA VAL A 41 -5.270 -4.998 6.475 1.00 0.00 C ATOM 566 C VAL A 41 -6.611 -5.479 6.939 1.00 0.00 C ATOM 567 O VAL A 41 -6.674 -6.244 7.902 1.00 0.00 O ATOM 568 CB VAL A 41 -5.062 -5.337 4.990 1.00 0.00 C ATOM 569 CG1 VAL A 41 -5.372 -4.076 4.160 1.00 0.00 C ATOM 570 CG2 VAL A 41 -3.627 -5.828 4.685 1.00 0.00 C ATOM 0 H VAL A 41 -4.792 -6.581 7.725 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.095 -3.922 6.488 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.733 -6.156 4.729 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.231 -4.293 3.101 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.404 -3.771 4.333 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.701 -3.270 4.458 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.538 -6.053 3.622 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.912 -5.050 4.953 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.419 -6.727 5.265 1.00 0.00 H new ATOM 580 N GLY A 42 -7.698 -5.061 6.262 1.00 0.00 N ATOM 581 CA GLY A 42 -9.036 -5.488 6.554 1.00 0.00 C ATOM 582 C GLY A 42 -9.773 -5.223 5.285 1.00 0.00 C ATOM 583 O GLY A 42 -10.763 -4.499 5.256 1.00 0.00 O ATOM 0 H GLY A 42 -7.645 -4.403 5.484 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.070 -6.543 6.825 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.462 -4.931 7.389 1.00 0.00 H new ATOM 587 N HIS A 43 -9.255 -5.781 4.176 1.00 0.00 N ATOM 588 CA HIS A 43 -9.832 -5.603 2.870 1.00 0.00 C ATOM 589 C HIS A 43 -9.315 -6.787 2.121 1.00 0.00 C ATOM 590 O HIS A 43 -10.060 -7.691 1.761 1.00 0.00 O ATOM 591 CB HIS A 43 -9.353 -4.325 2.130 1.00 0.00 C ATOM 592 CG HIS A 43 -10.178 -3.077 2.305 1.00 0.00 C ATOM 593 ND1 HIS A 43 -9.833 -1.915 1.666 1.00 0.00 N ATOM 594 CD2 HIS A 43 -11.352 -2.846 2.939 1.00 0.00 C ATOM 595 CE1 HIS A 43 -10.766 -1.007 1.907 1.00 0.00 C ATOM 596 NE2 HIS A 43 -11.701 -1.544 2.680 1.00 0.00 N ATOM 0 H HIS A 43 -8.420 -6.367 4.181 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.915 -5.507 2.942 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.337 -4.106 2.457 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.303 -4.550 1.065 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -11.909 -3.553 3.536 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -10.766 0.007 1.535 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -12.537 -1.070 3.023 1.00 0.00 H new ATOM 605 N GLY A 44 -7.993 -6.832 1.882 1.00 0.00 N ATOM 606 CA GLY A 44 -7.389 -7.891 1.143 1.00 0.00 C ATOM 607 C GLY A 44 -5.976 -7.607 1.468 1.00 0.00 C ATOM 608 O GLY A 44 -5.708 -6.593 2.113 1.00 0.00 O ATOM 0 H GLY A 44 -7.336 -6.123 2.207 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.710 -8.877 1.478 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.597 -7.834 0.075 1.00 0.00 H new ATOM 612 N LEU A 45 -5.045 -8.487 1.048 1.00 0.00 N ATOM 613 CA LEU A 45 -3.644 -8.387 1.378 1.00 0.00 C ATOM 614 C LEU A 45 -3.108 -7.299 0.485 1.00 0.00 C ATOM 615 O LEU A 45 -3.549 -7.167 -0.653 1.00 0.00 O ATOM 616 CB LEU A 45 -2.936 -9.761 1.203 1.00 0.00 C ATOM 617 CG LEU A 45 -1.686 -10.027 2.082 1.00 0.00 C ATOM 618 CD1 LEU A 45 -1.465 -11.540 2.287 1.00 0.00 C ATOM 619 CD2 LEU A 45 -0.405 -9.402 1.519 1.00 0.00 C ATOM 0 H LEU A 45 -5.268 -9.292 0.463 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.465 -8.130 2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.665 -10.546 1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.642 -9.860 0.158 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.893 -9.548 3.039 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.582 -11.698 2.907 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.336 -11.972 2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.320 -12.021 1.320 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.431 -9.626 2.182 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.204 -9.813 0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.530 -8.322 1.444 1.00 0.00 H new ATOM 631 N ALA A 46 -2.204 -6.448 1.008 1.00 0.00 N ATOM 632 CA ALA A 46 -1.881 -5.181 0.421 1.00 0.00 C ATOM 633 C ALA A 46 -0.450 -5.055 0.796 1.00 0.00 C ATOM 634 O ALA A 46 0.106 -6.026 1.313 1.00 0.00 O ATOM 635 CB ALA A 46 -2.705 -4.025 1.014 1.00 0.00 C ATOM 0 H ALA A 46 -1.683 -6.646 1.862 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.088 -5.132 -0.648 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.419 -3.090 0.533 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.766 -4.210 0.845 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.515 -3.955 2.085 1.00 0.00 H new ATOM 641 N CYS A 47 0.217 -3.900 0.551 1.00 0.00 N ATOM 642 CA CYS A 47 1.670 -3.929 0.643 1.00 0.00 C ATOM 643 C CYS A 47 2.047 -2.968 1.702 1.00 0.00 C ATOM 644 O CYS A 47 1.294 -2.040 1.962 1.00 0.00 O ATOM 645 CB CYS A 47 2.412 -3.561 -0.661 1.00 0.00 C ATOM 646 SG CYS A 47 1.441 -4.027 -2.110 1.00 0.00 S ATOM 0 H CYS A 47 -0.204 -3.004 0.306 1.00 0.00 H new ATOM 0 HA CYS A 47 1.967 -4.955 0.859 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.611 -2.489 -0.681 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.378 -4.065 -0.689 1.00 0.00 H new ATOM 651 N TRP A 48 3.221 -3.149 2.334 1.00 0.00 N ATOM 652 CA TRP A 48 3.717 -2.225 3.328 1.00 0.00 C ATOM 653 C TRP A 48 4.661 -1.361 2.559 1.00 0.00 C ATOM 654 O TRP A 48 5.269 -1.835 1.601 1.00 0.00 O ATOM 655 CB TRP A 48 4.472 -2.922 4.498 1.00 0.00 C ATOM 656 CG TRP A 48 5.179 -2.016 5.499 1.00 0.00 C ATOM 657 CD1 TRP A 48 6.468 -1.566 5.459 1.00 0.00 C ATOM 658 CD2 TRP A 48 4.576 -1.417 6.659 1.00 0.00 C ATOM 659 NE1 TRP A 48 6.711 -0.714 6.507 1.00 0.00 N ATOM 660 CE2 TRP A 48 5.560 -0.608 7.265 1.00 0.00 C ATOM 661 CE3 TRP A 48 3.300 -1.515 7.191 1.00 0.00 C ATOM 662 CZ2 TRP A 48 5.270 0.121 8.417 1.00 0.00 C ATOM 663 CZ3 TRP A 48 2.997 -0.779 8.344 1.00 0.00 C ATOM 664 CH2 TRP A 48 3.973 0.026 8.948 1.00 0.00 C ATOM 0 H TRP A 48 3.838 -3.942 2.159 1.00 0.00 H new ATOM 0 HA TRP A 48 2.898 -1.687 3.806 1.00 0.00 H new ATOM 0 HB2 TRP A 48 3.757 -3.538 5.044 1.00 0.00 H new ATOM 0 HB3 TRP A 48 5.213 -3.597 4.069 1.00 0.00 H new ATOM 0 HD1 TRP A 48 7.194 -1.842 4.708 1.00 0.00 H new ATOM 0 HE1 TRP A 48 7.594 -0.238 6.695 1.00 0.00 H new ATOM 0 HE3 TRP A 48 2.556 -2.145 6.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 6.020 0.740 8.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.006 -0.832 8.770 1.00 0.00 H new ATOM 0 HH2 TRP A 48 3.723 0.584 9.838 1.00 0.00 H new ATOM 675 N CYS A 49 4.824 -0.088 2.976 1.00 0.00 N ATOM 676 CA CYS A 49 5.867 0.751 2.470 1.00 0.00 C ATOM 677 C CYS A 49 6.256 1.585 3.645 1.00 0.00 C ATOM 678 O CYS A 49 5.413 1.934 4.475 1.00 0.00 O ATOM 679 CB CYS A 49 5.427 1.710 1.346 1.00 0.00 C ATOM 680 SG CYS A 49 5.234 0.903 -0.263 1.00 0.00 S ATOM 0 H CYS A 49 4.226 0.361 3.670 1.00 0.00 H new ATOM 0 HA CYS A 49 6.653 0.131 2.040 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.481 2.174 1.626 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.161 2.511 1.255 1.00 0.00 H new ATOM 685 N ASN A 50 7.556 1.933 3.723 1.00 0.00 N ATOM 686 CA ASN A 50 8.067 2.895 4.663 1.00 0.00 C ATOM 687 C ASN A 50 8.386 4.089 3.828 1.00 0.00 C ATOM 688 O ASN A 50 8.841 3.942 2.696 1.00 0.00 O ATOM 689 CB ASN A 50 9.413 2.504 5.335 1.00 0.00 C ATOM 690 CG ASN A 50 9.204 1.551 6.514 1.00 0.00 C ATOM 691 OD1 ASN A 50 9.209 0.325 6.362 1.00 0.00 O ATOM 692 ND2 ASN A 50 9.011 2.123 7.738 1.00 0.00 N ATOM 0 H ASN A 50 8.274 1.536 3.117 1.00 0.00 H new ATOM 0 HA ASN A 50 7.330 3.017 5.457 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.064 2.033 4.598 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.922 3.404 5.681 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.866 1.535 8.559 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.012 3.139 7.832 1.00 0.00 H new ATOM 699 N ALA A 51 8.190 5.291 4.407 1.00 0.00 N ATOM 700 CA ALA A 51 8.677 6.555 3.921 1.00 0.00 C ATOM 701 C ALA A 51 7.964 6.986 2.682 1.00 0.00 C ATOM 702 O ALA A 51 8.552 7.597 1.792 1.00 0.00 O ATOM 703 CB ALA A 51 10.204 6.645 3.726 1.00 0.00 C ATOM 0 H ALA A 51 7.657 5.388 5.271 1.00 0.00 H new ATOM 0 HA ALA A 51 8.449 7.249 4.730 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.466 7.637 3.358 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.703 6.468 4.679 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.523 5.894 3.004 1.00 0.00 H new ATOM 709 N LEU A 52 6.640 6.727 2.620 1.00 0.00 N ATOM 710 CA LEU A 52 5.854 7.180 1.497 1.00 0.00 C ATOM 711 C LEU A 52 5.581 8.639 1.715 1.00 0.00 C ATOM 712 O LEU A 52 5.192 8.990 2.829 1.00 0.00 O ATOM 713 CB LEU A 52 4.461 6.528 1.346 1.00 0.00 C ATOM 714 CG LEU A 52 4.483 5.102 0.768 1.00 0.00 C ATOM 715 CD1 LEU A 52 3.079 4.490 0.826 1.00 0.00 C ATOM 716 CD2 LEU A 52 5.017 5.026 -0.673 1.00 0.00 C ATOM 0 H LEU A 52 6.118 6.214 3.331 1.00 0.00 H new ATOM 0 HA LEU A 52 6.433 6.925 0.610 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.978 6.503 2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.847 7.158 0.702 1.00 0.00 H new ATOM 0 HG LEU A 52 5.176 4.534 1.389 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.105 3.481 0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.741 4.451 1.862 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.391 5.102 0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.003 3.990 -1.012 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.388 5.631 -1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.039 5.403 -0.703 1.00 0.00 H new ATOM 728 N PRO A 53 5.738 9.515 0.732 1.00 0.00 N ATOM 729 CA PRO A 53 5.401 10.916 0.877 1.00 0.00 C ATOM 730 C PRO A 53 3.922 11.105 1.081 1.00 0.00 C ATOM 731 O PRO A 53 3.138 10.183 0.868 1.00 0.00 O ATOM 732 CB PRO A 53 5.837 11.540 -0.455 1.00 0.00 C ATOM 733 CG PRO A 53 7.003 10.663 -0.914 1.00 0.00 C ATOM 734 CD PRO A 53 6.550 9.275 -0.466 1.00 0.00 C ATOM 0 HA PRO A 53 5.885 11.368 1.743 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.025 11.536 -1.182 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.145 12.578 -0.327 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.153 10.715 -1.992 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.943 10.956 -0.447 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.970 8.778 -1.244 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.402 8.633 -0.244 1.00 0.00 H new ATOM 742 N ASP A 54 3.506 12.307 1.497 1.00 0.00 N ATOM 743 CA ASP A 54 2.159 12.529 1.959 1.00 0.00 C ATOM 744 C ASP A 54 1.182 12.655 0.821 1.00 0.00 C ATOM 745 O ASP A 54 -0.024 12.734 1.037 1.00 0.00 O ATOM 746 CB ASP A 54 2.051 13.815 2.800 1.00 0.00 C ATOM 747 CG ASP A 54 2.837 13.673 4.110 1.00 0.00 C ATOM 748 OD1 ASP A 54 4.096 13.664 4.056 1.00 0.00 O ATOM 749 OD2 ASP A 54 2.185 13.571 5.183 1.00 0.00 O ATOM 0 H ASP A 54 4.099 13.137 1.517 1.00 0.00 H new ATOM 0 HA ASP A 54 1.913 11.657 2.565 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.434 14.662 2.230 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.004 14.026 3.019 1.00 0.00 H new ATOM 754 N ASN A 55 1.679 12.663 -0.432 1.00 0.00 N ATOM 755 CA ASN A 55 0.847 12.729 -1.613 1.00 0.00 C ATOM 756 C ASN A 55 0.497 11.339 -2.070 1.00 0.00 C ATOM 757 O ASN A 55 -0.201 11.173 -3.069 1.00 0.00 O ATOM 758 CB ASN A 55 1.521 13.474 -2.801 1.00 0.00 C ATOM 759 CG ASN A 55 2.846 12.814 -3.209 1.00 0.00 C ATOM 760 OD1 ASN A 55 3.858 13.028 -2.534 1.00 0.00 O ATOM 761 ND2 ASN A 55 2.820 11.983 -4.291 1.00 0.00 N ATOM 0 H ASN A 55 2.678 12.623 -0.636 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.042 13.291 -1.326 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.843 13.486 -3.654 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.702 14.512 -2.523 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.669 11.498 -4.582 1.00 0.00 H new ATOM 0 HD22 ASN A 55 1.952 11.847 -4.809 1.00 0.00 H new ATOM 768 N VAL A 56 0.987 10.298 -1.367 1.00 0.00 N ATOM 769 CA VAL A 56 0.674 8.937 -1.698 1.00 0.00 C ATOM 770 C VAL A 56 -0.466 8.637 -0.782 1.00 0.00 C ATOM 771 O VAL A 56 -0.345 8.816 0.428 1.00 0.00 O ATOM 772 CB VAL A 56 1.827 7.977 -1.453 1.00 0.00 C ATOM 773 CG1 VAL A 56 1.515 6.630 -2.148 1.00 0.00 C ATOM 774 CG2 VAL A 56 3.128 8.641 -1.964 1.00 0.00 C ATOM 0 H VAL A 56 1.605 10.400 -0.562 1.00 0.00 H new ATOM 0 HA VAL A 56 0.450 8.815 -2.758 1.00 0.00 H new ATOM 0 HB VAL A 56 1.962 7.763 -0.393 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.337 5.934 -1.978 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.595 6.213 -1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.393 6.793 -3.219 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.969 7.968 -1.798 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.036 8.850 -3.030 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.297 9.573 -1.425 1.00 0.00 H new ATOM 784 N GLY A 57 -1.619 8.212 -1.332 1.00 0.00 N ATOM 785 CA GLY A 57 -2.788 7.956 -0.536 1.00 0.00 C ATOM 786 C GLY A 57 -2.827 6.482 -0.403 1.00 0.00 C ATOM 787 O GLY A 57 -2.381 5.756 -1.294 1.00 0.00 O ATOM 0 H GLY A 57 -1.745 8.044 -2.330 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.720 8.441 0.438 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.689 8.335 -1.019 1.00 0.00 H new ATOM 791 N ILE A 58 -3.299 6.015 0.764 1.00 0.00 N ATOM 792 CA ILE A 58 -3.014 4.702 1.244 1.00 0.00 C ATOM 793 C ILE A 58 -4.235 4.289 1.999 1.00 0.00 C ATOM 794 O ILE A 58 -5.241 4.994 1.951 1.00 0.00 O ATOM 795 CB ILE A 58 -1.788 4.672 2.148 1.00 0.00 C ATOM 796 CG1 ILE A 58 -1.857 5.648 3.344 1.00 0.00 C ATOM 797 CG2 ILE A 58 -0.531 4.915 1.289 1.00 0.00 C ATOM 798 CD1 ILE A 58 -0.706 5.418 4.327 1.00 0.00 C ATOM 0 H ILE A 58 -3.892 6.562 1.388 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.784 4.027 0.420 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.746 3.685 2.608 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.825 6.675 2.979 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.808 5.524 3.861 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.354 4.896 1.925 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.451 4.134 0.532 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.606 5.887 0.801 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.788 6.123 5.155 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.754 4.399 4.712 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.245 5.568 3.816 1.00 0.00 H new ATOM 810 N ILE A 59 -4.150 3.135 2.709 1.00 0.00 N ATOM 811 CA ILE A 59 -5.232 2.437 3.362 1.00 0.00 C ATOM 812 C ILE A 59 -5.997 3.318 4.313 1.00 0.00 C ATOM 813 O ILE A 59 -5.513 3.729 5.370 1.00 0.00 O ATOM 814 CB ILE A 59 -4.773 1.179 4.100 1.00 0.00 C ATOM 815 CG1 ILE A 59 -3.915 0.254 3.201 1.00 0.00 C ATOM 816 CG2 ILE A 59 -5.971 0.404 4.703 1.00 0.00 C ATOM 817 CD1 ILE A 59 -4.601 -0.295 1.954 1.00 0.00 C ATOM 0 H ILE A 59 -3.258 2.656 2.835 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.895 2.136 2.551 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.139 1.514 4.921 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.028 0.805 2.890 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.573 -0.588 3.803 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.607 -0.484 5.220 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.500 1.044 5.409 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.651 0.106 3.905 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.904 -0.928 1.404 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.472 -0.882 2.246 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.918 0.532 1.319 1.00 0.00 H new ATOM 829 N VAL A 60 -7.247 3.583 3.906 1.00 0.00 N ATOM 830 CA VAL A 60 -8.325 4.150 4.662 1.00 0.00 C ATOM 831 C VAL A 60 -9.292 2.990 4.617 1.00 0.00 C ATOM 832 O VAL A 60 -9.126 2.084 3.801 1.00 0.00 O ATOM 833 CB VAL A 60 -8.807 5.427 3.965 1.00 0.00 C ATOM 834 CG1 VAL A 60 -10.252 5.844 4.304 1.00 0.00 C ATOM 835 CG2 VAL A 60 -7.779 6.534 4.298 1.00 0.00 C ATOM 0 H VAL A 60 -7.534 3.380 2.949 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.121 4.482 5.680 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.857 5.243 2.892 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.503 6.757 3.764 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.938 5.049 4.011 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -10.338 6.021 5.376 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.081 7.466 3.821 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.734 6.676 5.378 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.796 6.240 3.930 1.00 0.00 H new