USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 544 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 15 CYS SG : rot 180:sc= -0.502 USER MOD Set 1.2: A 59 TYR OH : rot -116:sc= -0.0427 USER MOD Set 2.1: A 11 SER OG : rot 125:sc= 0.529 USER MOD Set 2.2: A 38 LYS NZ :NH3+ 173:sc= 0.546 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 14 HIS : no HD1:sc= -0.15 X(o=-0.15,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0.061 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0.00071 X(o=0.00071,f=-0.011) USER MOD Single : A 31 TYR OH : rot 0:sc= 1.28 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -161:sc= 0.854 (180deg=0.641) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.055 USER MOD Single : A 46 ASN : amide:sc= -0.0804 K(o=-0.08,f=-5.3!) USER MOD Single : A 49 SER OG : rot -56:sc= 1.29 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 36:sc= 0.937 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 11.192 4.245 2.950 1.00 0.00 N ATOM 19 CA ARG A 2 9.737 4.263 2.953 1.00 0.00 C ATOM 20 C ARG A 2 9.225 5.158 1.844 1.00 0.00 C ATOM 21 O ARG A 2 9.945 6.026 1.353 1.00 0.00 O ATOM 22 CB ARG A 2 9.198 4.596 4.358 1.00 0.00 C ATOM 23 CG ARG A 2 8.934 6.062 4.688 1.00 0.00 C ATOM 24 CD ARG A 2 8.773 6.366 6.192 1.00 0.00 C ATOM 25 NE ARG A 2 9.491 7.592 6.588 1.00 0.00 N ATOM 26 CZ ARG A 2 10.794 7.822 6.385 1.00 0.00 C ATOM 27 NH1 ARG A 2 11.653 6.818 6.230 1.00 0.00 N ATOM 28 NH2 ARG A 2 11.220 9.073 6.323 1.00 0.00 N ATOM 0 HA ARG A 2 9.347 3.270 2.732 1.00 0.00 H new ATOM 0 HB2 ARG A 2 8.266 4.048 4.498 1.00 0.00 H new ATOM 0 HB3 ARG A 2 9.908 4.210 5.090 1.00 0.00 H new ATOM 0 HG2 ARG A 2 9.755 6.662 4.296 1.00 0.00 H new ATOM 0 HG3 ARG A 2 8.030 6.380 4.168 1.00 0.00 H new ATOM 0 HD2 ARG A 2 7.714 6.473 6.429 1.00 0.00 H new ATOM 0 HD3 ARG A 2 9.146 5.523 6.774 1.00 0.00 H new ATOM 0 HE ARG A 2 8.952 8.322 7.053 1.00 0.00 H new ATOM 0 HH11 ARG A 2 11.322 5.854 6.265 1.00 0.00 H new ATOM 0 HH12 ARG A 2 12.642 7.012 6.076 1.00 0.00 H new ATOM 0 HH21 ARG A 2 10.559 9.843 6.429 1.00 0.00 H new ATOM 0 HH22 ARG A 2 12.209 9.268 6.169 1.00 0.00 H new ATOM 42 N TYR A 3 7.972 4.940 1.464 1.00 0.00 N ATOM 43 CA TYR A 3 7.328 5.637 0.366 1.00 0.00 C ATOM 44 C TYR A 3 5.870 5.796 0.732 1.00 0.00 C ATOM 45 O TYR A 3 5.299 4.874 1.312 1.00 0.00 O ATOM 46 CB TYR A 3 7.437 4.804 -0.916 1.00 0.00 C ATOM 47 CG TYR A 3 8.862 4.484 -1.312 1.00 0.00 C ATOM 48 CD1 TYR A 3 9.499 3.335 -0.800 1.00 0.00 C ATOM 49 CD2 TYR A 3 9.549 5.341 -2.189 1.00 0.00 C ATOM 50 CE1 TYR A 3 10.828 3.041 -1.161 1.00 0.00 C ATOM 51 CE2 TYR A 3 10.865 5.045 -2.574 1.00 0.00 C ATOM 52 CZ TYR A 3 11.503 3.887 -2.077 1.00 0.00 C ATOM 53 OH TYR A 3 12.746 3.588 -2.541 1.00 0.00 O ATOM 0 H TYR A 3 7.366 4.259 1.922 1.00 0.00 H new ATOM 0 HA TYR A 3 7.801 6.604 0.195 1.00 0.00 H new ATOM 0 HB2 TYR A 3 6.888 3.872 -0.781 1.00 0.00 H new ATOM 0 HB3 TYR A 3 6.955 5.343 -1.731 1.00 0.00 H new ATOM 0 HD1 TYR A 3 8.966 2.678 -0.129 1.00 0.00 H new ATOM 0 HD2 TYR A 3 9.063 6.228 -2.567 1.00 0.00 H new ATOM 0 HE1 TYR A 3 11.328 2.179 -0.744 1.00 0.00 H new ATOM 0 HE2 TYR A 3 11.390 5.703 -3.251 1.00 0.00 H new ATOM 0 HH TYR A 3 13.041 4.288 -3.160 1.00 0.00 H new ATOM 63 N VAL A 4 5.246 6.913 0.364 1.00 0.00 N ATOM 64 CA VAL A 4 3.814 7.093 0.485 1.00 0.00 C ATOM 65 C VAL A 4 3.206 6.868 -0.881 1.00 0.00 C ATOM 66 O VAL A 4 3.544 7.555 -1.838 1.00 0.00 O ATOM 67 CB VAL A 4 3.443 8.491 1.010 1.00 0.00 C ATOM 68 CG1 VAL A 4 1.998 8.452 1.488 1.00 0.00 C ATOM 69 CG2 VAL A 4 4.307 9.006 2.161 1.00 0.00 C ATOM 0 H VAL A 4 5.730 7.720 -0.029 1.00 0.00 H new ATOM 0 HA VAL A 4 3.426 6.379 1.211 1.00 0.00 H new ATOM 0 HB VAL A 4 3.607 9.176 0.178 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.713 9.434 1.865 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.347 8.179 0.657 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.898 7.715 2.284 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.965 9.997 2.458 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.227 8.326 3.009 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.347 9.063 1.838 1.00 0.00 H new ATOM 79 N LEU A 5 2.304 5.905 -0.966 1.00 0.00 N ATOM 80 CA LEU A 5 1.584 5.494 -2.161 1.00 0.00 C ATOM 81 C LEU A 5 0.242 6.230 -2.163 1.00 0.00 C ATOM 82 O LEU A 5 -0.185 6.713 -1.107 1.00 0.00 O ATOM 83 CB LEU A 5 1.382 3.975 -2.090 1.00 0.00 C ATOM 84 CG LEU A 5 2.682 3.136 -2.030 1.00 0.00 C ATOM 85 CD1 LEU A 5 3.456 3.160 -0.719 1.00 0.00 C ATOM 86 CD2 LEU A 5 2.331 1.686 -2.388 1.00 0.00 C ATOM 0 H LEU A 5 2.038 5.354 -0.150 1.00 0.00 H new ATOM 0 HA LEU A 5 2.126 5.733 -3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.781 3.746 -1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.806 3.661 -2.961 1.00 0.00 H new ATOM 0 HG LEU A 5 3.360 3.605 -2.743 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.343 2.534 -0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.756 4.183 -0.492 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.824 2.781 0.084 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.232 1.074 -2.353 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.603 1.301 -1.674 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.908 1.651 -3.392 1.00 0.00 H new ATOM 98 N TYR A 6 -0.493 6.254 -3.273 1.00 0.00 N ATOM 99 CA TYR A 6 -1.834 6.833 -3.345 1.00 0.00 C ATOM 100 C TYR A 6 -2.782 5.816 -3.972 1.00 0.00 C ATOM 101 O TYR A 6 -2.761 5.594 -5.184 1.00 0.00 O ATOM 102 CB TYR A 6 -1.810 8.185 -4.070 1.00 0.00 C ATOM 103 CG TYR A 6 -3.082 9.002 -3.900 1.00 0.00 C ATOM 104 CD1 TYR A 6 -3.648 9.204 -2.623 1.00 0.00 C ATOM 105 CD2 TYR A 6 -3.694 9.586 -5.024 1.00 0.00 C ATOM 106 CE1 TYR A 6 -4.815 9.971 -2.472 1.00 0.00 C ATOM 107 CE2 TYR A 6 -4.842 10.381 -4.878 1.00 0.00 C ATOM 108 CZ TYR A 6 -5.404 10.581 -3.601 1.00 0.00 C ATOM 109 OH TYR A 6 -6.502 11.368 -3.454 1.00 0.00 O ATOM 0 H TYR A 6 -0.170 5.867 -4.160 1.00 0.00 H new ATOM 0 HA TYR A 6 -2.207 7.051 -2.344 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.965 8.767 -3.703 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -1.641 8.013 -5.133 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -3.180 8.765 -1.754 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -3.278 9.422 -6.007 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.260 10.094 -1.496 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -5.295 10.840 -5.745 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.779 11.710 -4.330 1.00 0.00 H new ATOM 119 N VAL A 7 -3.532 5.124 -3.113 1.00 0.00 N ATOM 120 CA VAL A 7 -4.344 3.952 -3.434 1.00 0.00 C ATOM 121 C VAL A 7 -5.806 4.367 -3.170 1.00 0.00 C ATOM 122 O VAL A 7 -6.331 4.117 -2.080 1.00 0.00 O ATOM 123 CB VAL A 7 -3.852 2.757 -2.574 1.00 0.00 C ATOM 124 CG1 VAL A 7 -4.680 1.462 -2.712 1.00 0.00 C ATOM 125 CG2 VAL A 7 -2.363 2.407 -2.788 1.00 0.00 C ATOM 0 H VAL A 7 -3.592 5.379 -2.127 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.262 3.622 -4.470 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.995 3.139 -1.563 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.255 0.689 -2.072 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.710 1.655 -2.413 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.660 1.126 -3.749 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.093 1.563 -2.154 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.198 2.143 -3.833 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.746 3.267 -2.529 1.00 0.00 H new ATOM 135 N PRO A 8 -6.487 5.028 -4.125 1.00 0.00 N ATOM 136 CA PRO A 8 -7.828 5.558 -3.898 1.00 0.00 C ATOM 137 C PRO A 8 -8.876 4.461 -3.677 1.00 0.00 C ATOM 138 O PRO A 8 -9.926 4.733 -3.094 1.00 0.00 O ATOM 139 CB PRO A 8 -8.150 6.428 -5.113 1.00 0.00 C ATOM 140 CG PRO A 8 -7.266 5.846 -6.212 1.00 0.00 C ATOM 141 CD PRO A 8 -6.023 5.379 -5.459 1.00 0.00 C ATOM 0 HA PRO A 8 -7.856 6.140 -2.977 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.206 6.374 -5.377 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.921 7.477 -4.927 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.757 5.020 -6.727 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.021 6.592 -6.968 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.563 4.523 -5.953 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.270 6.166 -5.418 1.00 0.00 H new ATOM 149 N ASP A 9 -8.589 3.212 -4.063 1.00 0.00 N ATOM 150 CA ASP A 9 -9.486 2.080 -3.841 1.00 0.00 C ATOM 151 C ASP A 9 -9.705 1.810 -2.347 1.00 0.00 C ATOM 152 O ASP A 9 -10.641 1.096 -1.998 1.00 0.00 O ATOM 153 CB ASP A 9 -8.969 0.810 -4.547 1.00 0.00 C ATOM 154 CG ASP A 9 -9.092 0.875 -6.074 1.00 0.00 C ATOM 155 OD1 ASP A 9 -8.198 1.482 -6.709 1.00 0.00 O ATOM 156 OD2 ASP A 9 -10.094 0.359 -6.628 1.00 0.00 O ATOM 0 H ASP A 9 -7.723 2.961 -4.540 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.449 2.348 -4.276 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.924 0.653 -4.280 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -9.525 -0.053 -4.181 1.00 0.00 H new ATOM 161 N ILE A 10 -8.915 2.397 -1.434 1.00 0.00 N ATOM 162 CA ILE A 10 -9.095 2.219 0.013 1.00 0.00 C ATOM 163 C ILE A 10 -10.318 3.014 0.529 1.00 0.00 C ATOM 164 O ILE A 10 -10.504 3.144 1.735 1.00 0.00 O ATOM 165 CB ILE A 10 -7.804 2.558 0.807 1.00 0.00 C ATOM 166 CG1 ILE A 10 -6.618 1.747 0.283 1.00 0.00 C ATOM 167 CG2 ILE A 10 -7.900 2.187 2.309 1.00 0.00 C ATOM 168 CD1 ILE A 10 -5.284 2.389 0.645 1.00 0.00 C ATOM 0 H ILE A 10 -8.135 3.007 -1.679 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.297 1.162 0.187 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.676 3.633 0.682 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.658 0.738 0.694 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.693 1.653 -0.800 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -6.967 2.448 2.809 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.723 2.735 2.767 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.077 1.116 2.409 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.469 1.780 0.253 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.231 3.388 0.212 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.196 2.459 1.729 1.00 0.00 H new ATOM 180 N SER A 11 -11.167 3.571 -0.338 1.00 0.00 N ATOM 181 CA SER A 11 -12.292 4.419 0.045 1.00 0.00 C ATOM 182 C SER A 11 -13.236 3.765 1.068 1.00 0.00 C ATOM 183 O SER A 11 -13.952 4.500 1.753 1.00 0.00 O ATOM 184 CB SER A 11 -13.057 4.817 -1.226 1.00 0.00 C ATOM 185 OG SER A 11 -13.296 6.211 -1.328 1.00 0.00 O ATOM 0 H SER A 11 -11.087 3.441 -1.346 1.00 0.00 H new ATOM 0 HA SER A 11 -11.890 5.300 0.546 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.492 4.488 -2.099 1.00 0.00 H new ATOM 0 HB3 SER A 11 -14.011 4.290 -1.247 1.00 0.00 H new ATOM 0 HG SER A 11 -12.943 6.542 -2.180 1.00 0.00 H new ATOM 191 N CYS A 12 -13.230 2.433 1.195 1.00 0.00 N ATOM 192 CA CYS A 12 -14.044 1.664 2.125 1.00 0.00 C ATOM 193 C CYS A 12 -13.192 0.858 3.115 1.00 0.00 C ATOM 194 O CYS A 12 -12.069 0.445 2.824 1.00 0.00 O ATOM 195 CB CYS A 12 -14.915 0.717 1.301 1.00 0.00 C ATOM 196 SG CYS A 12 -16.327 1.590 0.585 1.00 0.00 S ATOM 0 H CYS A 12 -12.628 1.841 0.623 1.00 0.00 H new ATOM 0 HA CYS A 12 -14.649 2.350 2.718 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -14.319 0.269 0.506 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -15.269 -0.098 1.932 1.00 0.00 H new ATOM 0 HG CYS A 12 -17.045 0.758 -0.110 1.00 0.00 H new ATOM 202 N ASN A 13 -13.767 0.550 4.279 1.00 0.00 N ATOM 203 CA ASN A 13 -13.075 -0.103 5.388 1.00 0.00 C ATOM 204 C ASN A 13 -12.622 -1.525 5.072 1.00 0.00 C ATOM 205 O ASN A 13 -11.563 -1.921 5.558 1.00 0.00 O ATOM 206 CB ASN A 13 -13.946 -0.097 6.658 1.00 0.00 C ATOM 207 CG ASN A 13 -13.500 0.990 7.627 1.00 0.00 C ATOM 208 OD1 ASN A 13 -12.350 0.992 8.069 1.00 0.00 O ATOM 209 ND2 ASN A 13 -14.377 1.916 7.966 1.00 0.00 N ATOM 0 H ASN A 13 -14.746 0.752 4.480 1.00 0.00 H new ATOM 0 HA ASN A 13 -12.172 0.483 5.560 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -14.990 0.061 6.386 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -13.888 -1.070 7.147 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -14.110 2.660 8.611 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -15.322 1.888 7.583 1.00 0.00 H new ATOM 216 N HIS A 14 -13.356 -2.294 4.257 1.00 0.00 N ATOM 217 CA HIS A 14 -12.868 -3.603 3.806 1.00 0.00 C ATOM 218 C HIS A 14 -11.593 -3.434 2.981 1.00 0.00 C ATOM 219 O HIS A 14 -10.628 -4.175 3.161 1.00 0.00 O ATOM 220 CB HIS A 14 -13.932 -4.349 2.987 1.00 0.00 C ATOM 221 CG HIS A 14 -13.458 -5.672 2.414 1.00 0.00 C ATOM 222 ND1 HIS A 14 -13.552 -6.073 1.098 1.00 0.00 N ATOM 223 CD2 HIS A 14 -12.841 -6.687 3.102 1.00 0.00 C ATOM 224 CE1 HIS A 14 -13.028 -7.307 1.004 1.00 0.00 C ATOM 225 NE2 HIS A 14 -12.597 -7.735 2.204 1.00 0.00 N ATOM 0 H HIS A 14 -14.277 -2.037 3.901 1.00 0.00 H new ATOM 0 HA HIS A 14 -12.648 -4.200 4.691 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -14.801 -4.530 3.619 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -14.261 -3.708 2.169 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -12.588 -6.679 4.152 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -12.962 -7.877 0.089 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -12.177 -8.640 2.417 1.00 0.00 H new ATOM 233 N CYS A 15 -11.589 -2.434 2.094 1.00 0.00 N ATOM 234 CA CYS A 15 -10.517 -2.184 1.152 1.00 0.00 C ATOM 235 C CYS A 15 -9.179 -1.992 1.861 1.00 0.00 C ATOM 236 O CYS A 15 -8.174 -2.493 1.373 1.00 0.00 O ATOM 237 CB CYS A 15 -10.885 -1.004 0.256 1.00 0.00 C ATOM 238 SG CYS A 15 -12.487 -1.326 -0.541 1.00 0.00 S ATOM 0 H CYS A 15 -12.355 -1.765 2.017 1.00 0.00 H new ATOM 0 HA CYS A 15 -10.391 -3.060 0.515 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -10.937 -0.088 0.845 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -10.114 -0.853 -0.500 1.00 0.00 H new ATOM 0 HG CYS A 15 -12.802 -0.321 -1.303 1.00 0.00 H new ATOM 244 N LYS A 16 -9.162 -1.367 3.043 1.00 0.00 N ATOM 245 CA LYS A 16 -7.976 -1.238 3.897 1.00 0.00 C ATOM 246 C LYS A 16 -7.258 -2.584 4.054 1.00 0.00 C ATOM 247 O LYS A 16 -6.085 -2.690 3.700 1.00 0.00 O ATOM 248 CB LYS A 16 -8.415 -0.585 5.221 1.00 0.00 C ATOM 249 CG LYS A 16 -7.328 -0.414 6.301 1.00 0.00 C ATOM 250 CD LYS A 16 -7.454 0.978 6.941 1.00 0.00 C ATOM 251 CE LYS A 16 -6.465 1.288 8.067 1.00 0.00 C ATOM 252 NZ LYS A 16 -6.919 0.828 9.392 1.00 0.00 N ATOM 0 H LYS A 16 -9.991 -0.927 3.442 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.227 -0.589 3.442 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.828 0.398 4.995 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.224 -1.182 5.643 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.433 -1.187 7.063 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.339 -0.534 5.859 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.332 1.728 6.160 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.466 1.087 7.332 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.507 0.821 7.838 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.294 2.364 8.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.204 1.069 10.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.818 1.292 9.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.056 -0.203 9.373 1.00 0.00 H new ATOM 266 N MET A 17 -7.969 -3.628 4.488 1.00 0.00 N ATOM 267 CA MET A 17 -7.427 -4.969 4.675 1.00 0.00 C ATOM 268 C MET A 17 -6.828 -5.561 3.408 1.00 0.00 C ATOM 269 O MET A 17 -5.878 -6.337 3.472 1.00 0.00 O ATOM 270 CB MET A 17 -8.556 -5.919 5.105 1.00 0.00 C ATOM 271 CG MET A 17 -8.140 -6.748 6.320 1.00 0.00 C ATOM 272 SD MET A 17 -8.523 -8.522 6.219 1.00 0.00 S ATOM 273 CE MET A 17 -10.329 -8.475 6.092 1.00 0.00 C ATOM 0 H MET A 17 -8.959 -3.559 4.723 1.00 0.00 H new ATOM 0 HA MET A 17 -6.642 -4.872 5.425 1.00 0.00 H new ATOM 0 HB2 MET A 17 -9.451 -5.343 5.342 1.00 0.00 H new ATOM 0 HB3 MET A 17 -8.813 -6.582 4.279 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.066 -6.633 6.467 1.00 0.00 H new ATOM 0 HG3 MET A 17 -8.629 -6.337 7.204 1.00 0.00 H new ATOM 0 HE1 MET A 17 -10.715 -9.492 6.022 1.00 0.00 H new ATOM 0 HE2 MET A 17 -10.743 -7.989 6.975 1.00 0.00 H new ATOM 0 HE3 MET A 17 -10.617 -7.916 5.202 1.00 0.00 H new ATOM 283 N ARG A 18 -7.434 -5.262 2.258 1.00 0.00 N ATOM 284 CA ARG A 18 -7.103 -5.922 0.996 1.00 0.00 C ATOM 285 C ARG A 18 -5.642 -5.695 0.634 1.00 0.00 C ATOM 286 O ARG A 18 -5.007 -6.582 0.075 1.00 0.00 O ATOM 287 CB ARG A 18 -8.040 -5.490 -0.117 1.00 0.00 C ATOM 288 CG ARG A 18 -9.475 -5.894 0.248 1.00 0.00 C ATOM 289 CD ARG A 18 -10.270 -6.291 -0.984 1.00 0.00 C ATOM 290 NE ARG A 18 -10.100 -7.689 -1.407 1.00 0.00 N ATOM 291 CZ ARG A 18 -10.251 -8.104 -2.675 1.00 0.00 C ATOM 292 NH1 ARG A 18 -10.836 -7.318 -3.580 1.00 0.00 N ATOM 293 NH2 ARG A 18 -9.851 -9.309 -3.055 1.00 0.00 N ATOM 0 H ARG A 18 -8.166 -4.557 2.176 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.244 -6.995 1.127 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.979 -4.411 -0.262 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.746 -5.956 -1.058 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.452 -6.726 0.952 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.971 -5.064 0.751 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.327 -6.112 -0.789 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.983 -5.640 -1.809 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.854 -8.381 -0.699 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.173 -6.394 -3.311 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.947 -7.641 -4.541 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.420 -9.940 -2.379 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.975 -9.606 -4.023 1.00 0.00 H new ATOM 307 N ILE A 19 -5.111 -4.529 0.999 1.00 0.00 N ATOM 308 CA ILE A 19 -3.698 -4.225 0.919 1.00 0.00 C ATOM 309 C ILE A 19 -2.970 -5.040 1.975 1.00 0.00 C ATOM 310 O ILE A 19 -2.124 -5.858 1.613 1.00 0.00 O ATOM 311 CB ILE A 19 -3.469 -2.703 1.047 1.00 0.00 C ATOM 312 CG1 ILE A 19 -4.109 -1.973 -0.149 1.00 0.00 C ATOM 313 CG2 ILE A 19 -1.977 -2.345 1.091 1.00 0.00 C ATOM 314 CD1 ILE A 19 -5.555 -1.577 0.096 1.00 0.00 C ATOM 0 H ILE A 19 -5.670 -3.758 1.365 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.291 -4.504 -0.053 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.929 -2.389 1.984 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.527 -1.079 -0.374 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.059 -2.616 -1.028 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.865 -1.265 1.181 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.511 -2.831 1.948 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.494 -2.685 0.175 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.947 -1.067 -0.784 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.149 -2.470 0.292 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.609 -0.909 0.956 1.00 0.00 H new ATOM 326 N SER A 20 -3.267 -4.816 3.260 1.00 0.00 N ATOM 327 CA SER A 20 -2.424 -5.296 4.338 1.00 0.00 C ATOM 328 C SER A 20 -2.230 -6.801 4.262 1.00 0.00 C ATOM 329 O SER A 20 -1.112 -7.270 4.403 1.00 0.00 O ATOM 330 CB SER A 20 -2.984 -4.921 5.709 1.00 0.00 C ATOM 331 OG SER A 20 -3.954 -3.879 5.669 1.00 0.00 O ATOM 0 H SER A 20 -4.091 -4.302 3.570 1.00 0.00 H new ATOM 0 HA SER A 20 -1.457 -4.808 4.215 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.433 -5.805 6.162 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.162 -4.614 6.355 1.00 0.00 H new ATOM 0 HG SER A 20 -4.270 -3.692 6.577 1.00 0.00 H new ATOM 337 N LYS A 21 -3.296 -7.552 3.976 1.00 0.00 N ATOM 338 CA LYS A 21 -3.244 -9.004 3.876 1.00 0.00 C ATOM 339 C LYS A 21 -2.107 -9.464 2.968 1.00 0.00 C ATOM 340 O LYS A 21 -1.277 -10.292 3.331 1.00 0.00 O ATOM 341 CB LYS A 21 -4.603 -9.540 3.471 1.00 0.00 C ATOM 342 CG LYS A 21 -4.974 -9.510 1.995 1.00 0.00 C ATOM 343 CD LYS A 21 -6.396 -10.030 1.941 1.00 0.00 C ATOM 344 CE LYS A 21 -6.905 -10.069 0.496 1.00 0.00 C ATOM 345 NZ LYS A 21 -6.366 -11.206 -0.279 1.00 0.00 N ATOM 0 H LYS A 21 -4.224 -7.163 3.807 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.013 -9.426 4.854 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.669 -10.574 3.810 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.360 -8.977 4.017 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.907 -8.500 1.591 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.302 -10.134 1.406 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.440 -11.029 2.374 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.044 -9.393 2.543 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.994 -10.125 0.502 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.637 -9.138 -0.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.746 -11.178 -1.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.328 -11.142 -0.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.643 -12.099 0.176 1.00 0.00 H new ATOM 359 N ALA A 22 -2.084 -8.868 1.780 1.00 0.00 N ATOM 360 CA ALA A 22 -1.154 -9.175 0.720 1.00 0.00 C ATOM 361 C ALA A 22 0.254 -8.711 1.095 1.00 0.00 C ATOM 362 O ALA A 22 1.220 -9.425 0.840 1.00 0.00 O ATOM 363 CB ALA A 22 -1.670 -8.513 -0.559 1.00 0.00 C ATOM 0 H ALA A 22 -2.742 -8.130 1.528 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.085 -10.251 0.557 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.987 -8.727 -1.381 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.659 -8.904 -0.798 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.733 -7.435 -0.411 1.00 0.00 H new ATOM 369 N LEU A 23 0.385 -7.528 1.700 1.00 0.00 N ATOM 370 CA LEU A 23 1.655 -6.975 2.159 1.00 0.00 C ATOM 371 C LEU A 23 2.274 -7.841 3.263 1.00 0.00 C ATOM 372 O LEU A 23 3.461 -8.145 3.217 1.00 0.00 O ATOM 373 CB LEU A 23 1.430 -5.581 2.735 1.00 0.00 C ATOM 374 CG LEU A 23 1.017 -4.425 1.829 1.00 0.00 C ATOM 375 CD1 LEU A 23 1.109 -3.128 2.646 1.00 0.00 C ATOM 376 CD2 LEU A 23 1.869 -4.327 0.569 1.00 0.00 C ATOM 0 H LEU A 23 -0.409 -6.916 1.887 1.00 0.00 H new ATOM 0 HA LEU A 23 2.327 -6.943 1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.667 -5.672 3.508 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.354 -5.286 3.232 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.003 -4.598 1.486 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.819 -2.283 2.021 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.441 -3.191 3.505 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.133 -2.988 2.992 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.529 -3.487 -0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.912 -4.176 0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.776 -5.249 -0.005 1.00 0.00 H new ATOM 388 N GLU A 24 1.505 -8.213 4.286 1.00 0.00 N ATOM 389 CA GLU A 24 1.949 -9.092 5.366 1.00 0.00 C ATOM 390 C GLU A 24 2.498 -10.419 4.826 1.00 0.00 C ATOM 391 O GLU A 24 3.485 -10.913 5.372 1.00 0.00 O ATOM 392 CB GLU A 24 0.817 -9.345 6.379 1.00 0.00 C ATOM 393 CG GLU A 24 0.304 -8.064 7.061 1.00 0.00 C ATOM 394 CD GLU A 24 0.290 -8.124 8.584 1.00 0.00 C ATOM 395 OE1 GLU A 24 -0.425 -8.982 9.146 1.00 0.00 O ATOM 396 OE2 GLU A 24 0.902 -7.231 9.219 1.00 0.00 O ATOM 0 H GLU A 24 0.538 -7.906 4.389 1.00 0.00 H new ATOM 0 HA GLU A 24 2.762 -8.582 5.883 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.014 -9.833 5.869 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.172 -10.036 7.143 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.927 -7.226 6.748 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.707 -7.859 6.708 1.00 0.00 H new ATOM 403 N GLU A 25 1.919 -10.986 3.758 1.00 0.00 N ATOM 404 CA GLU A 25 2.451 -12.186 3.104 1.00 0.00 C ATOM 405 C GLU A 25 3.674 -11.865 2.244 1.00 0.00 C ATOM 406 O GLU A 25 4.581 -12.693 2.128 1.00 0.00 O ATOM 407 CB GLU A 25 1.399 -12.851 2.208 1.00 0.00 C ATOM 408 CG GLU A 25 0.304 -13.589 2.991 1.00 0.00 C ATOM 409 CD GLU A 25 -0.012 -14.938 2.340 1.00 0.00 C ATOM 410 OE1 GLU A 25 -0.434 -14.969 1.157 1.00 0.00 O ATOM 411 OE2 GLU A 25 0.167 -15.983 3.012 1.00 0.00 O ATOM 0 H GLU A 25 1.069 -10.624 3.325 1.00 0.00 H new ATOM 0 HA GLU A 25 2.736 -12.867 3.906 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.935 -12.090 1.580 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.895 -13.556 1.541 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.628 -13.743 4.020 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.598 -12.978 3.029 1.00 0.00 H new ATOM 418 N LEU A 26 3.724 -10.670 1.653 1.00 0.00 N ATOM 419 CA LEU A 26 4.907 -10.117 0.994 1.00 0.00 C ATOM 420 C LEU A 26 6.074 -10.131 1.984 1.00 0.00 C ATOM 421 O LEU A 26 7.191 -10.506 1.640 1.00 0.00 O ATOM 422 CB LEU A 26 4.597 -8.683 0.515 1.00 0.00 C ATOM 423 CG LEU A 26 5.000 -8.365 -0.930 1.00 0.00 C ATOM 424 CD1 LEU A 26 4.287 -7.081 -1.356 1.00 0.00 C ATOM 425 CD2 LEU A 26 6.496 -8.156 -1.120 1.00 0.00 C ATOM 0 H LEU A 26 2.920 -10.043 1.619 1.00 0.00 H new ATOM 0 HA LEU A 26 5.180 -10.715 0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.527 -8.507 0.622 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.103 -7.981 1.177 1.00 0.00 H new ATOM 0 HG LEU A 26 4.716 -9.227 -1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.560 -6.836 -2.382 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.208 -7.225 -1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.583 -6.265 -0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.702 -7.935 -2.167 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.828 -7.322 -0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.030 -9.060 -0.828 1.00 0.00 H new ATOM 437 N GLY A 27 5.783 -9.830 3.250 1.00 0.00 N ATOM 438 CA GLY A 27 6.734 -9.750 4.341 1.00 0.00 C ATOM 439 C GLY A 27 7.334 -8.359 4.382 1.00 0.00 C ATOM 440 O GLY A 27 8.554 -8.195 4.467 1.00 0.00 O ATOM 0 H GLY A 27 4.829 -9.627 3.549 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.240 -9.973 5.286 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.520 -10.494 4.209 1.00 0.00 H new ATOM 444 N VAL A 28 6.487 -7.339 4.253 1.00 0.00 N ATOM 445 CA VAL A 28 6.811 -6.003 4.728 1.00 0.00 C ATOM 446 C VAL A 28 7.059 -6.090 6.246 1.00 0.00 C ATOM 447 O VAL A 28 6.622 -7.050 6.887 1.00 0.00 O ATOM 448 CB VAL A 28 5.641 -5.073 4.344 1.00 0.00 C ATOM 449 CG1 VAL A 28 4.376 -5.387 5.153 1.00 0.00 C ATOM 450 CG2 VAL A 28 6.007 -3.592 4.472 1.00 0.00 C ATOM 0 H VAL A 28 5.567 -7.418 3.820 1.00 0.00 H new ATOM 0 HA VAL A 28 7.714 -5.593 4.276 1.00 0.00 H new ATOM 0 HB VAL A 28 5.430 -5.269 3.293 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.575 -4.711 4.853 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.071 -6.416 4.966 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.582 -5.257 6.215 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.150 -2.980 4.190 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.286 -3.374 5.503 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.846 -3.366 3.814 1.00 0.00 H new ATOM 460 N LYS A 29 7.683 -5.078 6.858 1.00 0.00 N ATOM 461 CA LYS A 29 7.845 -5.055 8.316 1.00 0.00 C ATOM 462 C LYS A 29 7.483 -3.735 8.975 1.00 0.00 C ATOM 463 O LYS A 29 7.378 -3.692 10.197 1.00 0.00 O ATOM 464 CB LYS A 29 9.249 -5.557 8.690 1.00 0.00 C ATOM 465 CG LYS A 29 9.135 -6.786 9.609 1.00 0.00 C ATOM 466 CD LYS A 29 10.433 -7.598 9.640 1.00 0.00 C ATOM 467 CE LYS A 29 10.597 -8.478 8.391 1.00 0.00 C ATOM 468 NZ LYS A 29 9.774 -9.705 8.440 1.00 0.00 N ATOM 0 H LYS A 29 8.080 -4.273 6.374 1.00 0.00 H new ATOM 0 HA LYS A 29 7.108 -5.743 8.730 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.805 -5.816 7.789 1.00 0.00 H new ATOM 0 HB3 LYS A 29 9.806 -4.766 9.192 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.885 -6.462 10.619 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.318 -7.421 9.267 1.00 0.00 H new ATOM 0 HD2 LYS A 29 11.282 -6.919 9.718 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.445 -8.227 10.530 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.326 -7.900 7.507 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.646 -8.754 8.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.925 -10.259 7.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.048 -10.274 9.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.769 -9.446 8.515 1.00 0.00 H new ATOM 482 N ASN A 30 7.215 -2.683 8.208 1.00 0.00 N ATOM 483 CA ASN A 30 6.596 -1.461 8.696 1.00 0.00 C ATOM 484 C ASN A 30 5.775 -0.966 7.531 1.00 0.00 C ATOM 485 O ASN A 30 6.259 -0.969 6.397 1.00 0.00 O ATOM 486 CB ASN A 30 7.636 -0.423 9.133 1.00 0.00 C ATOM 487 CG ASN A 30 8.072 -0.662 10.557 1.00 0.00 C ATOM 488 OD1 ASN A 30 7.341 -0.405 11.504 1.00 0.00 O ATOM 489 ND2 ASN A 30 9.266 -1.193 10.743 1.00 0.00 N ATOM 0 H ASN A 30 7.427 -2.658 7.211 1.00 0.00 H new ATOM 0 HA ASN A 30 5.991 -1.639 9.585 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.501 -0.469 8.471 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.217 0.579 9.040 1.00 0.00 H new ATOM 0 HD21 ASN A 30 9.592 -1.396 11.688 1.00 0.00 H new ATOM 0 HD22 ASN A 30 9.862 -1.401 9.942 1.00 0.00 H new ATOM 496 N TYR A 31 4.520 -0.636 7.791 1.00 0.00 N ATOM 497 CA TYR A 31 3.595 -0.132 6.802 1.00 0.00 C ATOM 498 C TYR A 31 2.464 0.565 7.545 1.00 0.00 C ATOM 499 O TYR A 31 2.321 0.436 8.765 1.00 0.00 O ATOM 500 CB TYR A 31 3.060 -1.281 5.933 1.00 0.00 C ATOM 501 CG TYR A 31 2.199 -2.271 6.694 1.00 0.00 C ATOM 502 CD1 TYR A 31 2.763 -3.366 7.375 1.00 0.00 C ATOM 503 CD2 TYR A 31 0.817 -2.047 6.772 1.00 0.00 C ATOM 504 CE1 TYR A 31 1.968 -4.199 8.183 1.00 0.00 C ATOM 505 CE2 TYR A 31 0.016 -2.889 7.550 1.00 0.00 C ATOM 506 CZ TYR A 31 0.583 -3.953 8.287 1.00 0.00 C ATOM 507 OH TYR A 31 -0.236 -4.833 8.921 1.00 0.00 O ATOM 0 H TYR A 31 4.111 -0.715 8.722 1.00 0.00 H new ATOM 0 HA TYR A 31 4.092 0.571 6.133 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.478 -0.863 5.112 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.902 -1.812 5.489 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.819 -3.569 7.276 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.371 -1.225 6.232 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.415 -5.022 8.721 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.051 -2.724 7.588 1.00 0.00 H new ATOM 0 HH TYR A 31 0.291 -5.591 9.251 1.00 0.00 H new ATOM 517 N GLU A 32 1.618 1.257 6.798 1.00 0.00 N ATOM 518 CA GLU A 32 0.553 2.094 7.324 1.00 0.00 C ATOM 519 C GLU A 32 -0.528 2.170 6.239 1.00 0.00 C ATOM 520 O GLU A 32 -0.181 2.123 5.058 1.00 0.00 O ATOM 521 CB GLU A 32 1.191 3.464 7.652 1.00 0.00 C ATOM 522 CG GLU A 32 0.910 3.937 9.081 1.00 0.00 C ATOM 523 CD GLU A 32 -0.265 4.900 9.099 1.00 0.00 C ATOM 524 OE1 GLU A 32 -1.400 4.458 8.798 1.00 0.00 O ATOM 525 OE2 GLU A 32 -0.021 6.116 9.295 1.00 0.00 O ATOM 0 H GLU A 32 1.655 1.251 5.779 1.00 0.00 H new ATOM 0 HA GLU A 32 0.086 1.713 8.232 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.269 3.400 7.503 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.816 4.209 6.950 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.695 3.080 9.719 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.795 4.425 9.490 1.00 0.00 H new ATOM 532 N VAL A 33 -1.815 2.250 6.595 1.00 0.00 N ATOM 533 CA VAL A 33 -2.950 2.357 5.669 1.00 0.00 C ATOM 534 C VAL A 33 -4.010 3.280 6.290 1.00 0.00 C ATOM 535 O VAL A 33 -4.294 3.166 7.479 1.00 0.00 O ATOM 536 CB VAL A 33 -3.550 0.956 5.384 1.00 0.00 C ATOM 537 CG1 VAL A 33 -4.672 1.048 4.337 1.00 0.00 C ATOM 538 CG2 VAL A 33 -2.527 -0.086 4.894 1.00 0.00 C ATOM 0 H VAL A 33 -2.106 2.242 7.572 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.611 2.776 4.721 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.930 0.617 6.348 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.079 0.054 4.152 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.463 1.701 4.707 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.271 1.455 3.409 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.031 -1.036 4.719 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.072 0.260 3.966 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.753 -0.220 5.650 1.00 0.00 H new ATOM 548 N SER A 34 -4.679 4.121 5.491 1.00 0.00 N ATOM 549 CA SER A 34 -5.694 5.062 5.959 1.00 0.00 C ATOM 550 C SER A 34 -6.872 5.185 4.983 1.00 0.00 C ATOM 551 O SER A 34 -6.663 5.438 3.796 1.00 0.00 O ATOM 552 CB SER A 34 -5.020 6.423 6.154 1.00 0.00 C ATOM 553 OG SER A 34 -4.747 6.650 7.523 1.00 0.00 O ATOM 0 H SER A 34 -4.524 4.164 4.484 1.00 0.00 H new ATOM 0 HA SER A 34 -6.110 4.694 6.897 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.093 6.462 5.581 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.665 7.213 5.770 1.00 0.00 H new ATOM 0 HG SER A 34 -4.315 7.523 7.630 1.00 0.00 H new ATOM 559 N VAL A 35 -8.106 5.031 5.482 1.00 0.00 N ATOM 560 CA VAL A 35 -9.347 5.114 4.698 1.00 0.00 C ATOM 561 C VAL A 35 -9.709 6.541 4.301 1.00 0.00 C ATOM 562 O VAL A 35 -10.123 6.763 3.160 1.00 0.00 O ATOM 563 CB VAL A 35 -10.517 4.431 5.451 1.00 0.00 C ATOM 564 CG1 VAL A 35 -11.867 4.531 4.723 1.00 0.00 C ATOM 565 CG2 VAL A 35 -10.226 2.943 5.669 1.00 0.00 C ATOM 0 H VAL A 35 -8.274 4.840 6.470 1.00 0.00 H new ATOM 0 HA VAL A 35 -9.165 4.576 3.768 1.00 0.00 H new ATOM 0 HB VAL A 35 -10.594 4.969 6.396 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.636 4.030 5.311 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -12.134 5.580 4.595 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.790 4.054 3.746 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.060 2.483 6.199 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.095 2.453 4.704 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.316 2.833 6.259 1.00 0.00 H new ATOM 575 N GLU A 36 -9.610 7.511 5.207 1.00 0.00 N ATOM 576 CA GLU A 36 -10.026 8.871 4.880 1.00 0.00 C ATOM 577 C GLU A 36 -8.932 9.546 4.060 1.00 0.00 C ATOM 578 O GLU A 36 -9.223 10.329 3.158 1.00 0.00 O ATOM 579 CB GLU A 36 -10.336 9.662 6.152 1.00 0.00 C ATOM 580 CG GLU A 36 -11.551 9.089 6.890 1.00 0.00 C ATOM 581 CD GLU A 36 -11.832 9.853 8.181 1.00 0.00 C ATOM 582 OE1 GLU A 36 -11.065 9.722 9.160 1.00 0.00 O ATOM 583 OE2 GLU A 36 -12.845 10.579 8.257 1.00 0.00 O ATOM 0 H GLU A 36 -9.253 7.385 6.154 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.941 8.839 4.288 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.468 9.646 6.811 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.523 10.705 5.896 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.426 9.133 6.242 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.377 8.038 7.119 1.00 0.00 H new ATOM 590 N GLU A 37 -7.667 9.210 4.316 1.00 0.00 N ATOM 591 CA GLU A 37 -6.573 9.769 3.530 1.00 0.00 C ATOM 592 C GLU A 37 -6.382 9.017 2.209 1.00 0.00 C ATOM 593 O GLU A 37 -5.860 9.620 1.273 1.00 0.00 O ATOM 594 CB GLU A 37 -5.278 9.860 4.354 1.00 0.00 C ATOM 595 CG GLU A 37 -5.173 11.237 5.023 1.00 0.00 C ATOM 596 CD GLU A 37 -3.879 11.430 5.816 1.00 0.00 C ATOM 597 OE1 GLU A 37 -3.647 10.689 6.802 1.00 0.00 O ATOM 598 OE2 GLU A 37 -3.095 12.340 5.456 1.00 0.00 O ATOM 0 H GLU A 37 -7.380 8.563 5.051 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.845 10.790 3.264 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.265 9.077 5.112 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.415 9.694 3.709 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.240 12.010 4.258 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.024 11.374 5.691 1.00 0.00 H new ATOM 605 N LYS A 38 -6.857 7.769 2.078 1.00 0.00 N ATOM 606 CA LYS A 38 -6.558 6.884 0.939 1.00 0.00 C ATOM 607 C LYS A 38 -5.058 6.838 0.638 1.00 0.00 C ATOM 608 O LYS A 38 -4.615 6.841 -0.513 1.00 0.00 O ATOM 609 CB LYS A 38 -7.452 7.233 -0.263 1.00 0.00 C ATOM 610 CG LYS A 38 -8.762 6.440 -0.169 1.00 0.00 C ATOM 611 CD LYS A 38 -9.897 7.048 -0.992 1.00 0.00 C ATOM 612 CE LYS A 38 -10.504 8.249 -0.264 1.00 0.00 C ATOM 613 NZ LYS A 38 -11.715 8.738 -0.945 1.00 0.00 N ATOM 0 H LYS A 38 -7.469 7.338 2.771 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.810 5.857 1.203 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.661 8.303 -0.276 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.937 6.997 -1.194 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.585 5.418 -0.506 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.070 6.383 0.875 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.521 7.358 -1.967 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.667 6.297 -1.171 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.750 7.969 0.760 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.768 9.051 -0.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.167 9.473 -0.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.456 9.138 -1.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.379 7.949 -1.082 1.00 0.00 H new ATOM 627 N LYS A 39 -4.264 6.776 1.706 1.00 0.00 N ATOM 628 CA LYS A 39 -2.823 6.643 1.623 1.00 0.00 C ATOM 629 C LYS A 39 -2.400 5.352 2.302 1.00 0.00 C ATOM 630 O LYS A 39 -3.111 4.805 3.152 1.00 0.00 O ATOM 631 CB LYS A 39 -2.112 7.879 2.189 1.00 0.00 C ATOM 632 CG LYS A 39 -2.157 9.036 1.179 1.00 0.00 C ATOM 633 CD LYS A 39 -1.428 10.291 1.666 1.00 0.00 C ATOM 634 CE LYS A 39 -2.225 11.020 2.751 1.00 0.00 C ATOM 635 NZ LYS A 39 -1.742 12.394 2.987 1.00 0.00 N ATOM 0 H LYS A 39 -4.615 6.818 2.663 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.521 6.586 0.577 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.587 8.184 3.121 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.076 7.634 2.424 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.713 8.707 0.240 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.197 9.286 0.969 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.449 10.015 2.057 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.258 10.963 0.825 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.276 11.053 2.463 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.167 10.454 3.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.077 12.725 3.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.702 12.404 2.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.106 13.023 2.243 1.00 0.00 H new ATOM 649 N VAL A 40 -1.208 4.911 1.932 1.00 0.00 N ATOM 650 CA VAL A 40 -0.493 3.751 2.400 1.00 0.00 C ATOM 651 C VAL A 40 0.942 4.225 2.486 1.00 0.00 C ATOM 652 O VAL A 40 1.392 5.009 1.643 1.00 0.00 O ATOM 653 CB VAL A 40 -0.628 2.557 1.421 1.00 0.00 C ATOM 654 CG1 VAL A 40 0.246 1.334 1.754 1.00 0.00 C ATOM 655 CG2 VAL A 40 -2.071 2.072 1.336 1.00 0.00 C ATOM 0 H VAL A 40 -0.670 5.413 1.225 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.878 3.383 3.351 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.279 2.966 0.473 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.079 0.554 1.011 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.297 1.624 1.746 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.018 0.956 2.742 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.133 1.234 0.642 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.406 1.751 2.322 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.707 2.884 0.983 1.00 0.00 H new ATOM 665 N VAL A 41 1.669 3.695 3.454 1.00 0.00 N ATOM 666 CA VAL A 41 3.114 3.731 3.467 1.00 0.00 C ATOM 667 C VAL A 41 3.532 2.270 3.495 1.00 0.00 C ATOM 668 O VAL A 41 2.929 1.488 4.230 1.00 0.00 O ATOM 669 CB VAL A 41 3.623 4.539 4.680 1.00 0.00 C ATOM 670 CG1 VAL A 41 5.140 4.761 4.627 1.00 0.00 C ATOM 671 CG2 VAL A 41 2.958 5.921 4.761 1.00 0.00 C ATOM 0 H VAL A 41 1.263 3.222 4.262 1.00 0.00 H new ATOM 0 HA VAL A 41 3.544 4.235 2.601 1.00 0.00 H new ATOM 0 HB VAL A 41 3.365 3.944 5.556 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.455 5.334 5.499 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.649 3.797 4.623 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.396 5.310 3.721 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.342 6.459 5.628 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.180 6.485 3.855 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.879 5.800 4.858 1.00 0.00 H new ATOM 681 N VAL A 42 4.530 1.881 2.709 1.00 0.00 N ATOM 682 CA VAL A 42 5.373 0.752 3.092 1.00 0.00 C ATOM 683 C VAL A 42 6.762 1.270 3.424 1.00 0.00 C ATOM 684 O VAL A 42 7.200 2.283 2.873 1.00 0.00 O ATOM 685 CB VAL A 42 5.431 -0.323 1.994 1.00 0.00 C ATOM 686 CG1 VAL A 42 4.055 -0.984 1.843 1.00 0.00 C ATOM 687 CG2 VAL A 42 5.937 0.246 0.659 1.00 0.00 C ATOM 0 H VAL A 42 4.773 2.319 1.821 1.00 0.00 H new ATOM 0 HA VAL A 42 4.939 0.272 3.969 1.00 0.00 H new ATOM 0 HB VAL A 42 6.152 -1.083 2.295 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.100 -1.745 1.064 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.769 -1.448 2.787 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.317 -0.230 1.571 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.962 -0.547 -0.088 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.268 1.039 0.324 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.940 0.650 0.793 1.00 0.00 H new ATOM 697 N GLU A 43 7.464 0.514 4.258 1.00 0.00 N ATOM 698 CA GLU A 43 8.855 0.698 4.589 1.00 0.00 C ATOM 699 C GLU A 43 9.588 -0.573 4.133 1.00 0.00 C ATOM 700 O GLU A 43 9.656 -1.557 4.878 1.00 0.00 O ATOM 701 CB GLU A 43 8.970 0.946 6.094 1.00 0.00 C ATOM 702 CG GLU A 43 10.368 1.357 6.557 1.00 0.00 C ATOM 703 CD GLU A 43 10.470 1.270 8.081 1.00 0.00 C ATOM 704 OE1 GLU A 43 10.108 2.246 8.790 1.00 0.00 O ATOM 705 OE2 GLU A 43 10.943 0.217 8.573 1.00 0.00 O ATOM 0 H GLU A 43 7.049 -0.282 4.742 1.00 0.00 H new ATOM 0 HA GLU A 43 9.303 1.559 4.092 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.262 1.725 6.378 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.676 0.040 6.624 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.115 0.710 6.098 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.583 2.374 6.229 1.00 0.00 H new ATOM 712 N THR A 44 10.072 -0.597 2.893 1.00 0.00 N ATOM 713 CA THR A 44 10.844 -1.692 2.324 1.00 0.00 C ATOM 714 C THR A 44 12.092 -1.131 1.622 1.00 0.00 C ATOM 715 O THR A 44 12.265 0.083 1.477 1.00 0.00 O ATOM 716 CB THR A 44 9.909 -2.518 1.413 1.00 0.00 C ATOM 717 OG1 THR A 44 10.562 -3.660 0.888 1.00 0.00 O ATOM 718 CG2 THR A 44 9.355 -1.697 0.241 1.00 0.00 C ATOM 0 H THR A 44 9.931 0.172 2.238 1.00 0.00 H new ATOM 0 HA THR A 44 11.222 -2.371 3.088 1.00 0.00 H new ATOM 0 HB THR A 44 9.082 -2.827 2.052 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.940 -4.159 0.318 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.704 -2.325 -0.368 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.786 -0.851 0.626 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.181 -1.331 -0.369 1.00 0.00 H new ATOM 726 N GLU A 45 12.971 -2.018 1.162 1.00 0.00 N ATOM 727 CA GLU A 45 14.060 -1.693 0.252 1.00 0.00 C ATOM 728 C GLU A 45 13.609 -1.851 -1.206 1.00 0.00 C ATOM 729 O GLU A 45 14.205 -1.236 -2.087 1.00 0.00 O ATOM 730 CB GLU A 45 15.255 -2.613 0.556 1.00 0.00 C ATOM 731 CG GLU A 45 16.202 -2.049 1.622 1.00 0.00 C ATOM 732 CD GLU A 45 15.512 -1.536 2.888 1.00 0.00 C ATOM 733 OE1 GLU A 45 14.998 -2.339 3.706 1.00 0.00 O ATOM 734 OE2 GLU A 45 15.591 -0.320 3.163 1.00 0.00 O ATOM 0 H GLU A 45 12.943 -3.005 1.419 1.00 0.00 H new ATOM 0 HA GLU A 45 14.358 -0.654 0.395 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.883 -3.582 0.888 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.815 -2.784 -0.363 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.914 -2.825 1.903 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.776 -1.233 1.183 1.00 0.00 H new ATOM 741 N ASN A 46 12.565 -2.635 -1.484 1.00 0.00 N ATOM 742 CA ASN A 46 12.086 -2.947 -2.826 1.00 0.00 C ATOM 743 C ASN A 46 10.631 -2.528 -2.929 1.00 0.00 C ATOM 744 O ASN A 46 9.723 -3.350 -2.766 1.00 0.00 O ATOM 745 CB ASN A 46 12.284 -4.441 -3.145 1.00 0.00 C ATOM 746 CG ASN A 46 11.842 -4.816 -4.555 1.00 0.00 C ATOM 747 OD1 ASN A 46 11.241 -4.037 -5.288 1.00 0.00 O ATOM 748 ND2 ASN A 46 12.131 -6.032 -4.970 1.00 0.00 N ATOM 0 H ASN A 46 12.013 -3.084 -0.753 1.00 0.00 H new ATOM 0 HA ASN A 46 12.663 -2.395 -3.568 1.00 0.00 H new ATOM 0 HB2 ASN A 46 13.336 -4.696 -3.021 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.724 -5.037 -2.425 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.855 -6.331 -5.905 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.631 -6.675 -4.356 1.00 0.00 H new ATOM 755 N LEU A 47 10.401 -1.240 -3.186 1.00 0.00 N ATOM 756 CA LEU A 47 9.055 -0.723 -3.386 1.00 0.00 C ATOM 757 C LEU A 47 8.381 -1.462 -4.533 1.00 0.00 C ATOM 758 O LEU A 47 7.204 -1.785 -4.457 1.00 0.00 O ATOM 759 CB LEU A 47 9.110 0.777 -3.688 1.00 0.00 C ATOM 760 CG LEU A 47 7.718 1.397 -3.899 1.00 0.00 C ATOM 761 CD1 LEU A 47 6.862 1.336 -2.627 1.00 0.00 C ATOM 762 CD2 LEU A 47 7.870 2.839 -4.345 1.00 0.00 C ATOM 0 H LEU A 47 11.136 -0.536 -3.260 1.00 0.00 H new ATOM 0 HA LEU A 47 8.476 -0.878 -2.476 1.00 0.00 H new ATOM 0 HB2 LEU A 47 9.610 1.290 -2.866 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.714 0.941 -4.580 1.00 0.00 H new ATOM 0 HG LEU A 47 7.207 0.817 -4.667 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.888 1.785 -2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.729 0.296 -2.327 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.360 1.883 -1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.884 3.279 -4.495 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.406 3.402 -3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.429 2.874 -5.280 1.00 0.00 H new ATOM 774 N ASP A 48 9.119 -1.771 -5.590 1.00 0.00 N ATOM 775 CA ASP A 48 8.548 -2.261 -6.824 1.00 0.00 C ATOM 776 C ASP A 48 7.886 -3.628 -6.612 1.00 0.00 C ATOM 777 O ASP A 48 6.915 -3.955 -7.294 1.00 0.00 O ATOM 778 CB ASP A 48 9.640 -2.332 -7.902 1.00 0.00 C ATOM 779 CG ASP A 48 10.534 -1.087 -8.006 1.00 0.00 C ATOM 780 OD1 ASP A 48 10.083 0.032 -7.680 1.00 0.00 O ATOM 781 OD2 ASP A 48 11.750 -1.274 -8.248 1.00 0.00 O ATOM 0 H ASP A 48 10.135 -1.686 -5.610 1.00 0.00 H new ATOM 0 HA ASP A 48 7.772 -1.572 -7.158 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.271 -3.198 -7.702 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.165 -2.501 -8.868 1.00 0.00 H new ATOM 786 N SER A 49 8.353 -4.434 -5.649 1.00 0.00 N ATOM 787 CA SER A 49 7.704 -5.692 -5.265 1.00 0.00 C ATOM 788 C SER A 49 6.318 -5.442 -4.642 1.00 0.00 C ATOM 789 O SER A 49 5.356 -6.175 -4.907 1.00 0.00 O ATOM 790 CB SER A 49 8.626 -6.494 -4.331 1.00 0.00 C ATOM 791 OG SER A 49 8.863 -5.848 -3.090 1.00 0.00 O ATOM 0 H SER A 49 9.196 -4.229 -5.113 1.00 0.00 H new ATOM 0 HA SER A 49 7.534 -6.288 -6.162 1.00 0.00 H new ATOM 0 HB2 SER A 49 8.182 -7.472 -4.145 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.579 -6.666 -4.832 1.00 0.00 H new ATOM 0 HG SER A 49 9.236 -4.956 -3.251 1.00 0.00 H new ATOM 797 N VAL A 50 6.209 -4.378 -3.840 1.00 0.00 N ATOM 798 CA VAL A 50 4.978 -3.914 -3.224 1.00 0.00 C ATOM 799 C VAL A 50 4.019 -3.493 -4.329 1.00 0.00 C ATOM 800 O VAL A 50 2.899 -3.988 -4.358 1.00 0.00 O ATOM 801 CB VAL A 50 5.253 -2.807 -2.182 1.00 0.00 C ATOM 802 CG1 VAL A 50 3.941 -2.262 -1.617 1.00 0.00 C ATOM 803 CG2 VAL A 50 6.162 -3.342 -1.059 1.00 0.00 C ATOM 0 H VAL A 50 7.013 -3.798 -3.597 1.00 0.00 H new ATOM 0 HA VAL A 50 4.507 -4.717 -2.657 1.00 0.00 H new ATOM 0 HB VAL A 50 5.772 -1.985 -2.675 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.156 -1.483 -0.885 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.342 -1.844 -2.426 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.389 -3.069 -1.137 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.347 -2.551 -0.333 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.674 -4.182 -0.565 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.110 -3.673 -1.484 1.00 0.00 H new ATOM 813 N LEU A 51 4.427 -2.621 -5.253 1.00 0.00 N ATOM 814 CA LEU A 51 3.587 -2.165 -6.350 1.00 0.00 C ATOM 815 C LEU A 51 3.058 -3.339 -7.159 1.00 0.00 C ATOM 816 O LEU A 51 1.880 -3.370 -7.504 1.00 0.00 O ATOM 817 CB LEU A 51 4.456 -1.261 -7.213 1.00 0.00 C ATOM 818 CG LEU A 51 4.656 0.144 -6.624 1.00 0.00 C ATOM 819 CD1 LEU A 51 3.599 1.070 -7.210 1.00 0.00 C ATOM 820 CD2 LEU A 51 4.565 0.350 -5.107 1.00 0.00 C ATOM 0 H LEU A 51 5.361 -2.210 -5.256 1.00 0.00 H new ATOM 0 HA LEU A 51 2.715 -1.630 -5.974 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.430 -1.730 -7.350 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.004 -1.171 -8.201 1.00 0.00 H new ATOM 0 HG LEU A 51 5.695 0.346 -6.884 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.727 2.073 -6.802 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.705 1.103 -8.294 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.607 0.698 -6.954 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.732 1.401 -4.872 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.576 0.053 -4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.322 -0.257 -4.611 1.00 0.00 H new ATOM 832 N LYS A 52 3.900 -4.349 -7.373 1.00 0.00 N ATOM 833 CA LYS A 52 3.521 -5.569 -8.067 1.00 0.00 C ATOM 834 C LYS A 52 2.370 -6.229 -7.336 1.00 0.00 C ATOM 835 O LYS A 52 1.397 -6.623 -7.971 1.00 0.00 O ATOM 836 CB LYS A 52 4.733 -6.514 -8.181 1.00 0.00 C ATOM 837 CG LYS A 52 4.919 -7.067 -9.593 1.00 0.00 C ATOM 838 CD LYS A 52 3.893 -8.142 -9.956 1.00 0.00 C ATOM 839 CE LYS A 52 4.208 -8.619 -11.373 1.00 0.00 C ATOM 840 NZ LYS A 52 4.108 -10.082 -11.506 1.00 0.00 N ATOM 0 H LYS A 52 4.872 -4.339 -7.065 1.00 0.00 H new ATOM 0 HA LYS A 52 3.193 -5.330 -9.079 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.635 -5.979 -7.883 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.609 -7.343 -7.484 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.848 -6.249 -10.310 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.922 -7.485 -9.684 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.943 -8.973 -9.252 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.881 -7.740 -9.903 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.521 -8.145 -12.074 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.214 -8.300 -11.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.330 -10.358 -12.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.781 -10.536 -10.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.142 -10.387 -11.272 1.00 0.00 H new ATOM 854 N LYS A 53 2.470 -6.359 -6.007 1.00 0.00 N ATOM 855 CA LYS A 53 1.367 -6.883 -5.219 1.00 0.00 C ATOM 856 C LYS A 53 0.125 -6.007 -5.364 1.00 0.00 C ATOM 857 O LYS A 53 -0.955 -6.569 -5.506 1.00 0.00 O ATOM 858 CB LYS A 53 1.785 -7.065 -3.752 1.00 0.00 C ATOM 859 CG LYS A 53 0.766 -7.906 -2.969 1.00 0.00 C ATOM 860 CD LYS A 53 0.802 -9.401 -3.332 1.00 0.00 C ATOM 861 CE LYS A 53 1.587 -10.221 -2.301 1.00 0.00 C ATOM 862 NZ LYS A 53 1.457 -11.667 -2.558 1.00 0.00 N ATOM 0 H LYS A 53 3.298 -6.109 -5.467 1.00 0.00 H new ATOM 0 HA LYS A 53 1.104 -7.869 -5.603 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.762 -7.546 -3.709 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.889 -6.088 -3.280 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.957 -7.794 -1.902 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.235 -7.518 -3.156 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.217 -9.783 -3.400 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.255 -9.525 -4.316 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.639 -9.937 -2.331 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.224 -9.993 -1.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.998 -12.196 -1.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.455 -11.940 -2.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.826 -11.886 -3.505 1.00 0.00 H new ATOM 876 N LEU A 54 0.237 -4.676 -5.296 1.00 0.00 N ATOM 877 CA LEU A 54 -0.916 -3.780 -5.356 1.00 0.00 C ATOM 878 C LEU A 54 -1.684 -3.994 -6.661 1.00 0.00 C ATOM 879 O LEU A 54 -2.900 -4.199 -6.628 1.00 0.00 O ATOM 880 CB LEU A 54 -0.436 -2.335 -5.145 1.00 0.00 C ATOM 881 CG LEU A 54 -0.395 -1.909 -3.660 1.00 0.00 C ATOM 882 CD1 LEU A 54 -1.774 -1.465 -3.163 1.00 0.00 C ATOM 883 CD2 LEU A 54 0.123 -2.936 -2.642 1.00 0.00 C ATOM 0 H LEU A 54 1.130 -4.193 -5.198 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.624 -4.001 -4.558 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.560 -2.225 -5.574 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.094 -1.659 -5.691 1.00 0.00 H new ATOM 0 HG LEU A 54 0.334 -1.100 -3.693 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.706 -1.173 -2.115 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.118 -0.617 -3.755 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.480 -2.289 -3.265 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.096 -2.503 -1.642 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.507 -3.825 -2.669 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.148 -3.210 -2.891 1.00 0.00 H new ATOM 895 N GLU A 55 -0.982 -4.025 -7.795 1.00 0.00 N ATOM 896 CA GLU A 55 -1.620 -4.221 -9.091 1.00 0.00 C ATOM 897 C GLU A 55 -2.253 -5.633 -9.126 1.00 0.00 C ATOM 898 O GLU A 55 -3.409 -5.776 -9.531 1.00 0.00 O ATOM 899 CB GLU A 55 -0.577 -4.020 -10.212 1.00 0.00 C ATOM 900 CG GLU A 55 0.214 -2.691 -10.188 1.00 0.00 C ATOM 901 CD GLU A 55 -0.285 -1.592 -11.131 1.00 0.00 C ATOM 902 OE1 GLU A 55 -1.384 -1.039 -10.927 1.00 0.00 O ATOM 903 OE2 GLU A 55 0.500 -1.114 -11.987 1.00 0.00 O ATOM 0 H GLU A 55 0.031 -3.916 -7.838 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.414 -3.491 -9.249 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.137 -4.843 -10.166 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.089 -4.095 -11.172 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.200 -2.302 -9.170 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.254 -2.906 -10.432 1.00 0.00 H new ATOM 910 N GLU A 56 -1.546 -6.666 -8.638 1.00 0.00 N ATOM 911 CA GLU A 56 -1.994 -8.068 -8.567 1.00 0.00 C ATOM 912 C GLU A 56 -3.254 -8.266 -7.719 1.00 0.00 C ATOM 913 O GLU A 56 -3.989 -9.240 -7.928 1.00 0.00 O ATOM 914 CB GLU A 56 -0.880 -8.957 -7.976 1.00 0.00 C ATOM 915 CG GLU A 56 -0.072 -9.730 -9.031 1.00 0.00 C ATOM 916 CD GLU A 56 -0.681 -11.100 -9.355 1.00 0.00 C ATOM 917 OE1 GLU A 56 -0.935 -11.889 -8.408 1.00 0.00 O ATOM 918 OE2 GLU A 56 -0.905 -11.405 -10.546 1.00 0.00 O ATOM 0 H GLU A 56 -0.605 -6.542 -8.266 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.229 -8.352 -9.593 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.199 -8.332 -7.398 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.327 -9.669 -7.282 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.014 -9.138 -9.944 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.949 -9.866 -8.673 1.00 0.00 H new ATOM 925 N ILE A 57 -3.513 -7.388 -6.747 1.00 0.00 N ATOM 926 CA ILE A 57 -4.704 -7.461 -5.910 1.00 0.00 C ATOM 927 C ILE A 57 -5.864 -6.645 -6.485 1.00 0.00 C ATOM 928 O ILE A 57 -6.843 -6.448 -5.770 1.00 0.00 O ATOM 929 CB ILE A 57 -4.410 -7.174 -4.422 1.00 0.00 C ATOM 930 CG1 ILE A 57 -3.997 -5.719 -4.168 1.00 0.00 C ATOM 931 CG2 ILE A 57 -3.409 -8.184 -3.834 1.00 0.00 C ATOM 932 CD1 ILE A 57 -4.205 -5.250 -2.729 1.00 0.00 C ATOM 0 H ILE A 57 -2.899 -6.606 -6.521 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.040 -8.498 -5.929 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.349 -7.311 -3.886 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.945 -5.601 -4.428 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.565 -5.070 -4.835 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.228 -7.948 -2.785 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.819 -9.191 -3.914 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.470 -8.129 -4.385 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.888 -4.211 -2.635 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.260 -5.332 -2.468 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.615 -5.871 -2.055 1.00 0.00 H new ATOM 944 N ASP A 58 -5.802 -6.219 -7.751 1.00 0.00 N ATOM 945 CA ASP A 58 -6.838 -5.457 -8.463 1.00 0.00 C ATOM 946 C ASP A 58 -6.883 -3.987 -8.047 1.00 0.00 C ATOM 947 O ASP A 58 -7.827 -3.284 -8.408 1.00 0.00 O ATOM 948 CB ASP A 58 -8.228 -6.114 -8.290 1.00 0.00 C ATOM 949 CG ASP A 58 -9.300 -5.634 -9.264 1.00 0.00 C ATOM 950 OD1 ASP A 58 -9.053 -5.640 -10.490 1.00 0.00 O ATOM 951 OD2 ASP A 58 -10.439 -5.349 -8.817 1.00 0.00 O ATOM 0 H ASP A 58 -4.988 -6.405 -8.338 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.567 -5.480 -9.518 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.118 -7.193 -8.399 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.575 -5.930 -7.273 1.00 0.00 H new ATOM 956 N TYR A 59 -5.874 -3.509 -7.306 1.00 0.00 N ATOM 957 CA TYR A 59 -5.850 -2.181 -6.707 1.00 0.00 C ATOM 958 C TYR A 59 -4.719 -1.382 -7.377 1.00 0.00 C ATOM 959 O TYR A 59 -3.601 -1.376 -6.863 1.00 0.00 O ATOM 960 CB TYR A 59 -5.671 -2.238 -5.171 1.00 0.00 C ATOM 961 CG TYR A 59 -6.884 -2.567 -4.309 1.00 0.00 C ATOM 962 CD1 TYR A 59 -7.878 -3.474 -4.727 1.00 0.00 C ATOM 963 CD2 TYR A 59 -7.016 -1.943 -3.052 1.00 0.00 C ATOM 964 CE1 TYR A 59 -9.016 -3.704 -3.940 1.00 0.00 C ATOM 965 CE2 TYR A 59 -8.130 -2.202 -2.238 1.00 0.00 C ATOM 966 CZ TYR A 59 -9.157 -3.049 -2.701 1.00 0.00 C ATOM 967 OH TYR A 59 -10.257 -3.253 -1.934 1.00 0.00 O ATOM 0 H TYR A 59 -5.035 -4.053 -7.106 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.808 -1.689 -6.875 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.900 -2.978 -4.954 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.286 -1.271 -4.846 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.762 -3.998 -5.664 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.253 -1.259 -2.712 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.783 -4.382 -4.284 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.200 -1.753 -1.258 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.754 -2.413 -1.845 1.00 0.00 H new ATOM 977 N PRO A 60 -4.959 -0.729 -8.523 1.00 0.00 N ATOM 978 CA PRO A 60 -3.938 0.017 -9.246 1.00 0.00 C ATOM 979 C PRO A 60 -3.621 1.368 -8.599 1.00 0.00 C ATOM 980 O PRO A 60 -4.506 2.225 -8.478 1.00 0.00 O ATOM 981 CB PRO A 60 -4.497 0.185 -10.662 1.00 0.00 C ATOM 982 CG PRO A 60 -6.010 0.152 -10.464 1.00 0.00 C ATOM 983 CD PRO A 60 -6.168 -0.837 -9.314 1.00 0.00 C ATOM 0 HA PRO A 60 -2.986 -0.515 -9.240 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -4.173 1.124 -11.111 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.163 -0.616 -11.321 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -6.408 1.135 -10.212 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.530 -0.182 -11.362 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -7.048 -0.601 -8.715 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.300 -1.852 -9.688 1.00 0.00 H new ATOM 991 N VAL A 61 -2.368 1.562 -8.175 1.00 0.00 N ATOM 992 CA VAL A 61 -1.953 2.773 -7.466 1.00 0.00 C ATOM 993 C VAL A 61 -1.919 3.940 -8.460 1.00 0.00 C ATOM 994 O VAL A 61 -1.586 3.735 -9.628 1.00 0.00 O ATOM 995 CB VAL A 61 -0.617 2.523 -6.717 1.00 0.00 C ATOM 996 CG1 VAL A 61 0.567 2.264 -7.634 1.00 0.00 C ATOM 997 CG2 VAL A 61 -0.273 3.654 -5.741 1.00 0.00 C ATOM 0 H VAL A 61 -1.617 0.886 -8.314 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.669 3.045 -6.690 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.796 1.608 -6.153 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.462 2.099 -7.034 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.370 1.381 -8.242 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.719 3.126 -8.284 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.670 3.430 -5.243 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.181 4.592 -6.289 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.064 3.745 -4.996 1.00 0.00 H new ATOM 1007 N GLU A 62 -2.232 5.161 -8.016 1.00 0.00 N ATOM 1008 CA GLU A 62 -2.107 6.343 -8.863 1.00 0.00 C ATOM 1009 C GLU A 62 -0.627 6.736 -8.981 1.00 0.00 C ATOM 1010 O GLU A 62 -0.097 6.861 -10.084 1.00 0.00 O ATOM 1011 CB GLU A 62 -2.988 7.483 -8.321 1.00 0.00 C ATOM 1012 CG GLU A 62 -3.044 8.642 -9.326 1.00 0.00 C ATOM 1013 CD GLU A 62 -4.077 9.726 -8.984 1.00 0.00 C ATOM 1014 OE1 GLU A 62 -3.773 10.625 -8.170 1.00 0.00 O ATOM 1015 OE2 GLU A 62 -5.193 9.742 -9.565 1.00 0.00 O ATOM 0 H GLU A 62 -2.574 5.353 -7.074 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.466 6.124 -9.868 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.995 7.112 -8.128 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.591 7.837 -7.370 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.058 9.103 -9.387 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.270 8.240 -10.314 1.00 0.00 H new ATOM 1022 N SER A 63 0.061 6.924 -7.852 1.00 0.00 N ATOM 1023 CA SER A 63 1.479 7.266 -7.770 1.00 0.00 C ATOM 1024 C SER A 63 2.005 6.979 -6.360 1.00 0.00 C ATOM 1025 O SER A 63 1.248 6.569 -5.471 1.00 0.00 O ATOM 1026 CB SER A 63 1.661 8.747 -8.139 1.00 0.00 C ATOM 1027 OG SER A 63 1.738 8.887 -9.546 1.00 0.00 O ATOM 0 H SER A 63 -0.375 6.838 -6.934 1.00 0.00 H new ATOM 0 HA SER A 63 2.050 6.657 -8.471 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.827 9.332 -7.752 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.567 9.138 -7.676 1.00 0.00 H new ATOM 0 HG SER A 63 1.142 8.236 -9.973 1.00 0.00 H new ATOM 1033 N TYR A 64 3.305 7.182 -6.156 1.00 0.00 N ATOM 1034 CA TYR A 64 3.976 7.165 -4.866 1.00 0.00 C ATOM 1035 C TYR A 64 4.953 8.344 -4.795 1.00 0.00 C ATOM 1036 O TYR A 64 5.077 9.110 -5.749 1.00 0.00 O ATOM 1037 CB TYR A 64 4.653 5.810 -4.619 1.00 0.00 C ATOM 1038 CG TYR A 64 5.669 5.388 -5.663 1.00 0.00 C ATOM 1039 CD1 TYR A 64 7.011 5.811 -5.582 1.00 0.00 C ATOM 1040 CD2 TYR A 64 5.272 4.513 -6.690 1.00 0.00 C ATOM 1041 CE1 TYR A 64 7.960 5.328 -6.502 1.00 0.00 C ATOM 1042 CE2 TYR A 64 6.215 4.014 -7.603 1.00 0.00 C ATOM 1043 CZ TYR A 64 7.568 4.411 -7.504 1.00 0.00 C ATOM 1044 OH TYR A 64 8.495 3.907 -8.362 1.00 0.00 O ATOM 0 H TYR A 64 3.947 7.372 -6.926 1.00 0.00 H new ATOM 0 HA TYR A 64 3.248 7.285 -4.064 1.00 0.00 H new ATOM 0 HB2 TYR A 64 5.147 5.842 -3.648 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.881 5.043 -4.558 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.311 6.507 -4.813 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.235 4.223 -6.777 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.987 5.658 -6.443 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.907 3.329 -8.379 1.00 0.00 H new ATOM 0 HH TYR A 64 8.061 3.291 -8.988 1.00 0.00 H new ATOM 1054 N GLN A 65 5.634 8.504 -3.662 1.00 0.00 N ATOM 1055 CA GLN A 65 6.698 9.461 -3.427 1.00 0.00 C ATOM 1056 C GLN A 65 7.571 8.885 -2.318 1.00 0.00 C ATOM 1057 O GLN A 65 7.060 8.218 -1.416 1.00 0.00 O ATOM 1058 CB GLN A 65 6.109 10.824 -3.017 1.00 0.00 C ATOM 1059 CG GLN A 65 5.361 10.835 -1.680 1.00 0.00 C ATOM 1060 CD GLN A 65 4.429 12.035 -1.554 1.00 0.00 C ATOM 1061 OE1 GLN A 65 3.315 12.021 -2.060 1.00 0.00 O ATOM 1062 NE2 GLN A 65 4.860 13.113 -0.916 1.00 0.00 N ATOM 0 H GLN A 65 5.442 7.933 -2.839 1.00 0.00 H new ATOM 0 HA GLN A 65 7.287 9.627 -4.329 1.00 0.00 H new ATOM 0 HB2 GLN A 65 6.919 11.552 -2.968 1.00 0.00 H new ATOM 0 HB3 GLN A 65 5.427 11.158 -3.799 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.783 9.916 -1.581 1.00 0.00 H new ATOM 0 HG3 GLN A 65 6.081 10.849 -0.862 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.789 13.119 -0.496 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.262 13.937 -0.845 1.00 0.00 H new ATOM 1071 N GLU A 66 8.871 9.136 -2.378 1.00 0.00 N ATOM 1072 CA GLU A 66 9.836 8.862 -1.335 1.00 0.00 C ATOM 1073 C GLU A 66 9.522 9.691 -0.086 1.00 0.00 C ATOM 1074 O GLU A 66 9.026 10.826 -0.194 1.00 0.00 O ATOM 1075 CB GLU A 66 11.204 9.246 -1.912 1.00 0.00 C ATOM 1076 CG GLU A 66 12.307 8.489 -1.196 1.00 0.00 C ATOM 1077 CD GLU A 66 13.714 8.822 -1.704 1.00 0.00 C ATOM 1078 OE1 GLU A 66 14.063 10.024 -1.823 1.00 0.00 O ATOM 1079 OE2 GLU A 66 14.506 7.876 -1.914 1.00 0.00 O ATOM 0 H GLU A 66 9.299 9.559 -3.202 1.00 0.00 H new ATOM 0 HA GLU A 66 9.814 7.814 -1.034 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.233 9.022 -2.978 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.363 10.319 -1.807 1.00 0.00 H new ATOM 0 HG2 GLU A 66 12.254 8.710 -0.130 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.133 7.419 -1.309 1.00 0.00 H new ATOM 1086 N VAL A 67 9.834 9.146 1.092 1.00 0.00 N ATOM 1087 CA VAL A 67 9.758 9.838 2.369 1.00 0.00 C ATOM 1088 C VAL A 67 10.961 9.449 3.209 1.00 0.00 C ATOM 1089 O VAL A 67 11.506 10.359 3.874 1.00 0.00 O ATOM 1090 CB VAL A 67 8.391 9.629 3.072 1.00 0.00 C ATOM 1091 CG1 VAL A 67 7.428 10.792 2.809 1.00 0.00 C ATOM 1092 CG2 VAL A 67 7.636 8.390 2.568 1.00 0.00 C ATOM 0 H VAL A 67 10.155 8.182 1.180 1.00 0.00 H new ATOM 0 HA VAL A 67 9.803 10.915 2.209 1.00 0.00 H new ATOM 0 HB VAL A 67 8.655 9.533 4.125 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.483 10.605 3.320 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.865 11.718 3.183 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.250 10.882 1.737 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.688 8.300 3.099 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.445 8.490 1.500 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.238 7.499 2.747 1.00 0.00 H new