USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 631 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 36 ASN : amide:sc= -0.928 K(o=-1.8,f=-5!) USER MOD Set 1.2: A 53 HIS : no HD1:sc= -0.861 X(o=-1.8,f=-1.3) USER MOD Set 2.1: A 14 THR OG1 : rot 180:sc= 0.305 USER MOD Set 2.2: A 19 GLN : amide:sc= 0.318 X(o=0.62,f=0.15) USER MOD Set 3.1: A 8 TYR OH : rot -148:sc= 0.736 USER MOD Set 3.2: A 82 HIS : no HD1:sc= 0.604 K(o=1.3,f=-0.019) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.151 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 11 LYS NZ :NH3+ -171:sc= 1.26 (180deg=1.2) USER MOD Single : A 18 THR OG1 : rot 68:sc= 0.683 USER MOD Single : A 21 HIS : no HE2:sc= 0.671 K(o=0.67,f=-2.7!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 103:sc= 1.19 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.18 X(o=-0.18,f=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= -1.2 K(o=-1.2,f=-2.1!) USER MOD Single : A 52 SER OG : rot -29:sc= 0.179 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -157:sc= -0.368 (180deg=-2.12) USER MOD Single : A 60 ASN : amide:sc= -0.0799 K(o=-0.08,f=-1.4!) USER MOD Single : A 61 TYR OH : rot 91:sc= 0.742 USER MOD Single : A 65 THR OG1 : rot -160:sc= 0.505 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -159:sc= -0.0656 (180deg=-0.447) USER MOD Single : A 73 LYS NZ :NH3+ -172:sc= -0.1 (180deg=-0.201) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.059 -21.181 -10.779 1.00 0.00 N ATOM 2 CA GLY A 1 -12.728 -19.754 -10.743 1.00 0.00 C ATOM 3 C GLY A 1 -11.241 -19.544 -10.960 1.00 0.00 C ATOM 4 O GLY A 1 -10.465 -20.505 -10.985 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.671 -21.375 -11.597 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.185 -21.738 -10.861 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.556 -21.444 -9.904 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.291 -19.225 -11.512 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.024 -19.331 -9.783 1.00 0.00 H new ATOM 8 N ALA A 2 -10.840 -18.282 -11.120 1.00 0.00 N ATOM 9 CA ALA A 2 -9.459 -17.875 -11.334 1.00 0.00 C ATOM 10 C ALA A 2 -8.624 -18.108 -10.071 1.00 0.00 C ATOM 11 O ALA A 2 -9.155 -18.432 -9.006 1.00 0.00 O ATOM 12 CB ALA A 2 -9.439 -16.403 -11.760 1.00 0.00 C ATOM 0 H ALA A 2 -11.489 -17.496 -11.103 1.00 0.00 H new ATOM 0 HA ALA A 2 -9.013 -18.478 -12.125 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -8.409 -16.086 -11.924 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -10.006 -16.284 -12.683 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -9.887 -15.791 -10.977 1.00 0.00 H new ATOM 18 N ALA A 3 -7.308 -17.935 -10.189 1.00 0.00 N ATOM 19 CA ALA A 3 -6.324 -18.187 -9.145 1.00 0.00 C ATOM 20 C ALA A 3 -5.110 -17.274 -9.342 1.00 0.00 C ATOM 21 O ALA A 3 -3.968 -17.742 -9.401 1.00 0.00 O ATOM 22 CB ALA A 3 -5.944 -19.674 -9.159 1.00 0.00 C ATOM 0 H ALA A 3 -6.883 -17.601 -11.054 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.742 -17.958 -8.165 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.207 -19.869 -8.379 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -6.833 -20.278 -8.978 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.521 -19.932 -10.130 1.00 0.00 H new ATOM 28 N GLY A 4 -5.349 -15.966 -9.465 1.00 0.00 N ATOM 29 CA GLY A 4 -4.297 -14.971 -9.579 1.00 0.00 C ATOM 30 C GLY A 4 -4.068 -14.384 -8.215 1.00 0.00 C ATOM 31 O GLY A 4 -3.451 -15.029 -7.368 1.00 0.00 O ATOM 0 H GLY A 4 -6.289 -15.571 -9.488 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.381 -15.425 -9.958 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.583 -14.193 -10.286 1.00 0.00 H new ATOM 35 N ILE A 5 -4.584 -13.174 -8.017 1.00 0.00 N ATOM 36 CA ILE A 5 -4.404 -12.414 -6.787 1.00 0.00 C ATOM 37 C ILE A 5 -5.648 -11.645 -6.365 1.00 0.00 C ATOM 38 O ILE A 5 -5.732 -11.215 -5.222 1.00 0.00 O ATOM 39 CB ILE A 5 -3.243 -11.408 -6.923 1.00 0.00 C ATOM 40 CG1 ILE A 5 -3.395 -10.440 -8.114 1.00 0.00 C ATOM 41 CG2 ILE A 5 -1.912 -12.156 -6.989 1.00 0.00 C ATOM 42 CD1 ILE A 5 -2.483 -9.225 -7.950 1.00 0.00 C ATOM 0 H ILE A 5 -5.146 -12.689 -8.716 1.00 0.00 H new ATOM 0 HA ILE A 5 -4.184 -13.158 -6.021 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.267 -10.779 -6.033 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.153 -10.958 -9.042 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.432 -10.113 -8.192 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.096 -11.439 -7.085 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.777 -12.740 -6.078 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.912 -12.823 -7.851 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.609 -8.558 -8.803 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.743 -8.696 -7.033 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.445 -9.554 -7.897 1.00 0.00 H new ATOM 54 N ASP A 6 -6.607 -11.445 -7.268 1.00 0.00 N ATOM 55 CA ASP A 6 -7.712 -10.503 -7.062 1.00 0.00 C ATOM 56 C ASP A 6 -8.637 -10.943 -5.923 1.00 0.00 C ATOM 57 O ASP A 6 -9.298 -10.127 -5.292 1.00 0.00 O ATOM 58 CB ASP A 6 -8.456 -10.393 -8.382 1.00 0.00 C ATOM 59 CG ASP A 6 -9.510 -9.282 -8.405 1.00 0.00 C ATOM 60 OD1 ASP A 6 -9.133 -8.089 -8.419 1.00 0.00 O ATOM 61 OD2 ASP A 6 -10.706 -9.641 -8.550 1.00 0.00 O ATOM 0 H ASP A 6 -6.642 -11.931 -8.164 1.00 0.00 H new ATOM 0 HA ASP A 6 -7.326 -9.529 -6.760 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -7.736 -10.215 -9.181 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -8.941 -11.346 -8.596 1.00 0.00 H new ATOM 66 N GLN A 7 -8.578 -12.235 -5.601 1.00 0.00 N ATOM 67 CA GLN A 7 -9.137 -12.869 -4.416 1.00 0.00 C ATOM 68 C GLN A 7 -8.707 -12.203 -3.092 1.00 0.00 C ATOM 69 O GLN A 7 -9.440 -12.302 -2.108 1.00 0.00 O ATOM 70 CB GLN A 7 -8.761 -14.364 -4.461 1.00 0.00 C ATOM 71 CG GLN A 7 -7.253 -14.623 -4.269 1.00 0.00 C ATOM 72 CD GLN A 7 -6.824 -16.041 -4.642 1.00 0.00 C ATOM 73 OE1 GLN A 7 -7.538 -17.000 -4.378 1.00 0.00 O ATOM 74 NE2 GLN A 7 -5.663 -16.216 -5.261 1.00 0.00 N ATOM 0 H GLN A 7 -8.106 -12.908 -6.204 1.00 0.00 H new ATOM 0 HA GLN A 7 -10.220 -12.747 -4.434 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -9.315 -14.894 -3.686 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -9.075 -14.781 -5.418 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -6.691 -13.911 -4.874 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -6.990 -14.435 -3.228 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -5.074 -15.412 -5.477 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -5.360 -17.155 -5.520 1.00 0.00 H new ATOM 83 N TYR A 8 -7.544 -11.543 -3.046 1.00 0.00 N ATOM 84 CA TYR A 8 -7.036 -10.801 -1.898 1.00 0.00 C ATOM 85 C TYR A 8 -7.341 -9.307 -1.992 1.00 0.00 C ATOM 86 O TYR A 8 -6.885 -8.576 -1.116 1.00 0.00 O ATOM 87 CB TYR A 8 -5.514 -10.990 -1.810 1.00 0.00 C ATOM 88 CG TYR A 8 -5.107 -12.398 -1.473 1.00 0.00 C ATOM 89 CD1 TYR A 8 -5.153 -12.802 -0.131 1.00 0.00 C ATOM 90 CD2 TYR A 8 -4.739 -13.308 -2.481 1.00 0.00 C ATOM 91 CE1 TYR A 8 -4.897 -14.132 0.219 1.00 0.00 C ATOM 92 CE2 TYR A 8 -4.550 -14.659 -2.138 1.00 0.00 C ATOM 93 CZ TYR A 8 -4.623 -15.077 -0.788 1.00 0.00 C ATOM 94 OH TYR A 8 -4.493 -16.390 -0.461 1.00 0.00 O ATOM 0 H TYR A 8 -6.909 -11.513 -3.843 1.00 0.00 H new ATOM 0 HA TYR A 8 -7.533 -11.190 -1.009 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -5.064 -10.707 -2.762 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.114 -10.313 -1.055 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.388 -12.081 0.638 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.604 -12.975 -3.500 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -4.909 -14.432 1.256 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -4.347 -15.384 -2.912 1.00 0.00 H new ATOM 0 HH TYR A 8 -3.845 -16.814 -1.061 1.00 0.00 H new ATOM 104 N ALA A 9 -8.017 -8.818 -3.039 1.00 0.00 N ATOM 105 CA ALA A 9 -8.329 -7.408 -3.170 1.00 0.00 C ATOM 106 C ALA A 9 -9.547 -7.101 -2.318 1.00 0.00 C ATOM 107 O ALA A 9 -10.631 -7.650 -2.538 1.00 0.00 O ATOM 108 CB ALA A 9 -8.553 -7.013 -4.635 1.00 0.00 C ATOM 0 H ALA A 9 -8.357 -9.393 -3.810 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.483 -6.817 -2.820 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -8.785 -5.949 -4.694 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.650 -7.220 -5.210 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.384 -7.588 -5.044 1.00 0.00 H new ATOM 114 N LEU A 10 -9.362 -6.224 -1.337 1.00 0.00 N ATOM 115 CA LEU A 10 -10.432 -5.795 -0.454 1.00 0.00 C ATOM 116 C LEU A 10 -11.177 -4.684 -1.176 1.00 0.00 C ATOM 117 O LEU A 10 -10.964 -4.362 -2.346 1.00 0.00 O ATOM 118 CB LEU A 10 -10.058 -5.332 0.980 1.00 0.00 C ATOM 119 CG LEU A 10 -9.197 -6.320 1.750 1.00 0.00 C ATOM 120 CD1 LEU A 10 -7.837 -6.198 1.124 1.00 0.00 C ATOM 121 CD2 LEU A 10 -9.160 -6.000 3.238 1.00 0.00 C ATOM 0 H LEU A 10 -8.461 -5.791 -1.134 1.00 0.00 H new ATOM 0 HA LEU A 10 -11.026 -6.688 -0.260 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.530 -4.380 0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.974 -5.151 1.542 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.589 -7.335 1.692 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.146 -6.879 1.620 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.900 -6.451 0.066 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.477 -5.175 1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.534 -6.730 3.752 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.749 -5.001 3.385 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.171 -6.039 3.644 1.00 0.00 H new ATOM 133 N LYS A 11 -12.011 -4.033 -0.395 1.00 0.00 N ATOM 134 CA LYS A 11 -12.753 -2.836 -0.740 1.00 0.00 C ATOM 135 C LYS A 11 -12.450 -1.702 0.231 1.00 0.00 C ATOM 136 O LYS A 11 -12.709 -0.537 -0.070 1.00 0.00 O ATOM 137 CB LYS A 11 -14.243 -3.170 -0.674 1.00 0.00 C ATOM 138 CG LYS A 11 -14.627 -4.368 -1.551 1.00 0.00 C ATOM 139 CD LYS A 11 -14.772 -5.730 -0.851 1.00 0.00 C ATOM 140 CE LYS A 11 -16.169 -5.911 -0.234 1.00 0.00 C ATOM 141 NZ LYS A 11 -16.217 -5.627 1.214 1.00 0.00 N ATOM 0 H LYS A 11 -12.202 -4.343 0.558 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.465 -2.510 -1.740 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.517 -3.381 0.360 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.819 -2.299 -0.986 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -15.572 -4.138 -2.043 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.876 -4.468 -2.334 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.586 -6.529 -1.569 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -14.016 -5.820 -0.071 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -16.872 -5.255 -0.748 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -16.503 -6.934 -0.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.142 -5.913 1.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.465 -6.159 1.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -16.078 -4.609 1.373 1.00 0.00 H new ATOM 155 N GLU A 12 -11.936 -2.032 1.407 1.00 0.00 N ATOM 156 CA GLU A 12 -11.985 -1.175 2.581 1.00 0.00 C ATOM 157 C GLU A 12 -11.105 -1.781 3.661 1.00 0.00 C ATOM 158 O GLU A 12 -10.659 -2.922 3.498 1.00 0.00 O ATOM 159 CB GLU A 12 -13.441 -1.061 3.080 1.00 0.00 C ATOM 160 CG GLU A 12 -13.996 -2.414 3.551 1.00 0.00 C ATOM 161 CD GLU A 12 -15.499 -2.538 3.349 1.00 0.00 C ATOM 162 OE1 GLU A 12 -16.265 -2.097 4.230 1.00 0.00 O ATOM 163 OE2 GLU A 12 -15.922 -3.161 2.350 1.00 0.00 O ATOM 0 H GLU A 12 -11.464 -2.921 1.574 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.624 -0.177 2.333 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -13.488 -0.345 3.900 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -14.069 -0.671 2.279 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -13.494 -3.216 3.009 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -13.764 -2.549 4.607 1.00 0.00 H new ATOM 170 N PHE A 13 -10.872 -1.037 4.742 1.00 0.00 N ATOM 171 CA PHE A 13 -10.259 -1.499 5.980 1.00 0.00 C ATOM 172 C PHE A 13 -10.387 -0.412 7.045 1.00 0.00 C ATOM 173 O PHE A 13 -10.896 0.676 6.765 1.00 0.00 O ATOM 174 CB PHE A 13 -8.781 -1.851 5.755 1.00 0.00 C ATOM 175 CG PHE A 13 -7.893 -0.705 5.296 1.00 0.00 C ATOM 176 CD1 PHE A 13 -7.854 -0.330 3.940 1.00 0.00 C ATOM 177 CD2 PHE A 13 -7.045 -0.060 6.214 1.00 0.00 C ATOM 178 CE1 PHE A 13 -6.986 0.690 3.512 1.00 0.00 C ATOM 179 CE2 PHE A 13 -6.156 0.938 5.783 1.00 0.00 C ATOM 180 CZ PHE A 13 -6.138 1.326 4.432 1.00 0.00 C ATOM 0 H PHE A 13 -11.119 -0.048 4.776 1.00 0.00 H new ATOM 0 HA PHE A 13 -10.774 -2.399 6.316 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.376 -2.250 6.685 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -8.725 -2.649 5.014 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -8.493 -0.828 3.226 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -7.078 -0.334 7.258 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.972 0.985 2.473 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.487 1.407 6.489 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.474 2.111 4.103 1.00 0.00 H new ATOM 190 N THR A 14 -9.842 -0.672 8.231 1.00 0.00 N ATOM 191 CA THR A 14 -9.580 0.343 9.237 1.00 0.00 C ATOM 192 C THR A 14 -8.100 0.213 9.582 1.00 0.00 C ATOM 193 O THR A 14 -7.578 -0.899 9.695 1.00 0.00 O ATOM 194 CB THR A 14 -10.476 0.132 10.471 1.00 0.00 C ATOM 195 OG1 THR A 14 -11.803 -0.176 10.091 1.00 0.00 O ATOM 196 CG2 THR A 14 -10.515 1.354 11.395 1.00 0.00 C ATOM 0 H THR A 14 -9.567 -1.611 8.521 1.00 0.00 H new ATOM 0 HA THR A 14 -9.806 1.345 8.872 1.00 0.00 H new ATOM 0 HB THR A 14 -10.032 -0.702 11.015 1.00 0.00 H new ATOM 0 HG1 THR A 14 -12.351 -0.307 10.893 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.162 1.146 12.247 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.508 1.574 11.750 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.902 2.213 10.847 1.00 0.00 H new ATOM 204 N ALA A 15 -7.391 1.324 9.729 1.00 0.00 N ATOM 205 CA ALA A 15 -6.085 1.377 10.364 1.00 0.00 C ATOM 206 C ALA A 15 -6.007 2.736 11.036 1.00 0.00 C ATOM 207 O ALA A 15 -6.693 3.665 10.622 1.00 0.00 O ATOM 208 CB ALA A 15 -4.960 1.211 9.332 1.00 0.00 C ATOM 0 H ALA A 15 -7.717 2.233 9.402 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.961 0.567 11.083 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.995 1.255 9.836 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.065 0.248 8.831 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.021 2.012 8.595 1.00 0.00 H new ATOM 214 N ASP A 16 -5.161 2.895 12.048 1.00 0.00 N ATOM 215 CA ASP A 16 -4.965 4.196 12.701 1.00 0.00 C ATOM 216 C ASP A 16 -6.277 4.774 13.236 1.00 0.00 C ATOM 217 O ASP A 16 -6.495 5.988 13.265 1.00 0.00 O ATOM 218 CB ASP A 16 -4.270 5.159 11.729 1.00 0.00 C ATOM 219 CG ASP A 16 -3.059 5.836 12.347 1.00 0.00 C ATOM 220 OD1 ASP A 16 -3.220 6.619 13.315 1.00 0.00 O ATOM 221 OD2 ASP A 16 -1.951 5.614 11.807 1.00 0.00 O ATOM 0 H ASP A 16 -4.596 2.141 12.439 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.323 4.053 13.570 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.961 4.611 10.839 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.981 5.919 11.405 1.00 0.00 H new ATOM 226 N PHE A 17 -7.189 3.877 13.614 1.00 0.00 N ATOM 227 CA PHE A 17 -8.517 4.207 14.126 1.00 0.00 C ATOM 228 C PHE A 17 -9.327 5.039 13.118 1.00 0.00 C ATOM 229 O PHE A 17 -10.250 5.760 13.495 1.00 0.00 O ATOM 230 CB PHE A 17 -8.369 4.803 15.535 1.00 0.00 C ATOM 231 CG PHE A 17 -7.417 4.020 16.427 1.00 0.00 C ATOM 232 CD1 PHE A 17 -7.853 2.856 17.091 1.00 0.00 C ATOM 233 CD2 PHE A 17 -6.065 4.408 16.526 1.00 0.00 C ATOM 234 CE1 PHE A 17 -6.941 2.086 17.838 1.00 0.00 C ATOM 235 CE2 PHE A 17 -5.154 3.633 17.261 1.00 0.00 C ATOM 236 CZ PHE A 17 -5.591 2.472 17.917 1.00 0.00 C ATOM 0 H PHE A 17 -7.018 2.872 13.571 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.127 3.311 14.240 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.014 5.830 15.451 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.350 4.842 16.009 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -8.888 2.554 17.027 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.728 5.308 16.033 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.279 1.198 18.351 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.117 3.930 17.322 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.891 1.875 18.482 1.00 0.00 H new ATOM 246 N THR A 18 -8.994 4.903 11.833 1.00 0.00 N ATOM 247 CA THR A 18 -9.534 5.613 10.691 1.00 0.00 C ATOM 248 C THR A 18 -9.977 4.549 9.677 1.00 0.00 C ATOM 249 O THR A 18 -9.221 3.624 9.369 1.00 0.00 O ATOM 250 CB THR A 18 -8.422 6.520 10.129 1.00 0.00 C ATOM 251 OG1 THR A 18 -7.889 7.386 11.120 1.00 0.00 O ATOM 252 CG2 THR A 18 -8.923 7.384 8.973 1.00 0.00 C ATOM 0 H THR A 18 -8.278 4.234 11.550 1.00 0.00 H new ATOM 0 HA THR A 18 -10.387 6.243 10.942 1.00 0.00 H new ATOM 0 HB THR A 18 -7.644 5.843 9.776 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.396 6.860 11.784 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.108 8.008 8.606 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.280 6.742 8.167 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.738 8.019 9.320 1.00 0.00 H new ATOM 260 N GLN A 19 -11.210 4.632 9.189 1.00 0.00 N ATOM 261 CA GLN A 19 -11.729 3.760 8.144 1.00 0.00 C ATOM 262 C GLN A 19 -11.235 4.249 6.779 1.00 0.00 C ATOM 263 O GLN A 19 -11.009 5.450 6.600 1.00 0.00 O ATOM 264 CB GLN A 19 -13.259 3.787 8.230 1.00 0.00 C ATOM 265 CG GLN A 19 -13.926 2.649 7.451 1.00 0.00 C ATOM 266 CD GLN A 19 -14.884 1.888 8.353 1.00 0.00 C ATOM 267 OE1 GLN A 19 -16.079 2.182 8.399 1.00 0.00 O ATOM 268 NE2 GLN A 19 -14.380 0.929 9.107 1.00 0.00 N ATOM 0 H GLN A 19 -11.888 5.320 9.515 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.379 2.736 8.273 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.559 3.727 9.276 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.621 4.742 7.848 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.465 3.052 6.594 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.167 1.972 7.061 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.387 0.705 9.050 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -14.984 0.412 9.746 1.00 0.00 H new ATOM 277 N PHE A 20 -11.116 3.356 5.800 1.00 0.00 N ATOM 278 CA PHE A 20 -10.674 3.671 4.446 1.00 0.00 C ATOM 279 C PHE A 20 -11.386 2.775 3.444 1.00 0.00 C ATOM 280 O PHE A 20 -11.793 1.662 3.781 1.00 0.00 O ATOM 281 CB PHE A 20 -9.166 3.427 4.327 1.00 0.00 C ATOM 282 CG PHE A 20 -8.276 4.255 5.233 1.00 0.00 C ATOM 283 CD1 PHE A 20 -7.877 5.552 4.860 1.00 0.00 C ATOM 284 CD2 PHE A 20 -7.825 3.712 6.447 1.00 0.00 C ATOM 285 CE1 PHE A 20 -7.024 6.301 5.691 1.00 0.00 C ATOM 286 CE2 PHE A 20 -6.961 4.454 7.270 1.00 0.00 C ATOM 287 CZ PHE A 20 -6.561 5.748 6.897 1.00 0.00 C ATOM 0 H PHE A 20 -11.330 2.367 5.931 1.00 0.00 H new ATOM 0 HA PHE A 20 -10.905 4.716 4.238 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.973 2.373 4.529 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -8.870 3.613 3.295 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.228 5.975 3.930 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -8.142 2.724 6.748 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.726 7.298 5.403 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.602 4.027 8.195 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.900 6.316 7.535 1.00 0.00 H new ATOM 297 N HIS A 21 -11.442 3.222 2.189 1.00 0.00 N ATOM 298 CA HIS A 21 -12.083 2.552 1.067 1.00 0.00 C ATOM 299 C HIS A 21 -11.207 2.707 -0.178 1.00 0.00 C ATOM 300 O HIS A 21 -10.322 3.567 -0.202 1.00 0.00 O ATOM 301 CB HIS A 21 -13.471 3.161 0.832 1.00 0.00 C ATOM 302 CG HIS A 21 -14.319 3.245 2.077 1.00 0.00 C ATOM 303 ND1 HIS A 21 -14.372 4.311 2.949 1.00 0.00 N ATOM 304 CD2 HIS A 21 -15.105 2.247 2.585 1.00 0.00 C ATOM 305 CE1 HIS A 21 -15.171 3.955 3.969 1.00 0.00 C ATOM 306 NE2 HIS A 21 -15.639 2.705 3.792 1.00 0.00 N ATOM 0 H HIS A 21 -11.017 4.109 1.918 1.00 0.00 H new ATOM 0 HA HIS A 21 -12.203 1.491 1.284 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -13.353 4.162 0.416 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -13.997 2.566 0.085 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -13.893 5.205 2.840 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -15.281 1.281 2.135 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -15.406 4.585 4.814 1.00 0.00 H new ATOM 314 N ILE A 22 -11.444 1.913 -1.228 1.00 0.00 N ATOM 315 CA ILE A 22 -10.868 2.182 -2.546 1.00 0.00 C ATOM 316 C ILE A 22 -11.406 3.548 -2.966 1.00 0.00 C ATOM 317 O ILE A 22 -12.618 3.722 -3.106 1.00 0.00 O ATOM 318 CB ILE A 22 -11.223 1.091 -3.588 1.00 0.00 C ATOM 319 CG1 ILE A 22 -10.868 -0.343 -3.147 1.00 0.00 C ATOM 320 CG2 ILE A 22 -10.563 1.393 -4.947 1.00 0.00 C ATOM 321 CD1 ILE A 22 -9.399 -0.588 -2.792 1.00 0.00 C ATOM 0 H ILE A 22 -12.031 1.080 -1.189 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.779 2.174 -2.494 1.00 0.00 H new ATOM 0 HB ILE A 22 -12.308 1.128 -3.681 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.479 -0.598 -2.281 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.148 -1.028 -3.947 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -10.827 0.613 -5.661 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.914 2.357 -5.316 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.480 1.423 -4.827 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.265 -1.629 -2.496 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.774 -0.374 -3.659 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.110 0.064 -1.967 1.00 0.00 H new ATOM 333 N GLY A 23 -10.514 4.518 -3.139 1.00 0.00 N ATOM 334 CA GLY A 23 -10.866 5.878 -3.508 1.00 0.00 C ATOM 335 C GLY A 23 -10.860 6.856 -2.339 1.00 0.00 C ATOM 336 O GLY A 23 -10.992 8.051 -2.583 1.00 0.00 O ATOM 0 H GLY A 23 -9.511 4.375 -3.024 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.168 6.230 -4.267 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.857 5.876 -3.962 1.00 0.00 H new ATOM 340 N ASP A 24 -10.663 6.412 -1.097 1.00 0.00 N ATOM 341 CA ASP A 24 -10.331 7.332 -0.003 1.00 0.00 C ATOM 342 C ASP A 24 -8.855 7.737 -0.171 1.00 0.00 C ATOM 343 O ASP A 24 -8.194 7.315 -1.125 1.00 0.00 O ATOM 344 CB ASP A 24 -10.619 6.692 1.371 1.00 0.00 C ATOM 345 CG ASP A 24 -12.108 6.584 1.734 1.00 0.00 C ATOM 346 OD1 ASP A 24 -12.976 6.630 0.837 1.00 0.00 O ATOM 347 OD2 ASP A 24 -12.390 6.364 2.936 1.00 0.00 O ATOM 0 H ASP A 24 -10.726 5.432 -0.823 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.956 8.224 -0.044 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.182 5.694 1.389 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.114 7.275 2.141 1.00 0.00 H new ATOM 352 N THR A 25 -8.290 8.530 0.739 1.00 0.00 N ATOM 353 CA THR A 25 -6.881 8.920 0.715 1.00 0.00 C ATOM 354 C THR A 25 -6.231 8.480 2.033 1.00 0.00 C ATOM 355 O THR A 25 -6.936 8.306 3.031 1.00 0.00 O ATOM 356 CB THR A 25 -6.786 10.441 0.476 1.00 0.00 C ATOM 357 OG1 THR A 25 -7.880 10.924 -0.288 1.00 0.00 O ATOM 358 CG2 THR A 25 -5.534 10.839 -0.289 1.00 0.00 C ATOM 0 H THR A 25 -8.806 8.925 1.525 1.00 0.00 H new ATOM 0 HA THR A 25 -6.342 8.433 -0.097 1.00 0.00 H new ATOM 0 HB THR A 25 -6.776 10.874 1.476 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.787 11.891 -0.418 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.521 11.920 -0.428 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.652 10.535 0.274 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.531 10.348 -1.262 1.00 0.00 H new ATOM 366 N VAL A 26 -4.911 8.301 2.072 1.00 0.00 N ATOM 367 CA VAL A 26 -4.194 8.079 3.330 1.00 0.00 C ATOM 368 C VAL A 26 -3.751 9.429 3.911 1.00 0.00 C ATOM 369 O VAL A 26 -3.723 10.431 3.190 1.00 0.00 O ATOM 370 CB VAL A 26 -3.003 7.113 3.148 1.00 0.00 C ATOM 371 CG1 VAL A 26 -3.490 5.751 2.642 1.00 0.00 C ATOM 372 CG2 VAL A 26 -1.886 7.663 2.252 1.00 0.00 C ATOM 0 H VAL A 26 -4.314 8.305 1.245 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.869 7.599 4.038 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.556 6.995 4.135 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.638 5.083 2.519 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.186 5.323 3.363 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.993 5.878 1.683 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.086 6.926 2.174 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.285 7.872 1.260 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.491 8.582 2.685 1.00 0.00 H new ATOM 382 N PRO A 27 -3.403 9.491 5.204 1.00 0.00 N ATOM 383 CA PRO A 27 -2.640 10.598 5.769 1.00 0.00 C ATOM 384 C PRO A 27 -1.160 10.512 5.394 1.00 0.00 C ATOM 385 O PRO A 27 -0.645 9.429 5.094 1.00 0.00 O ATOM 386 CB PRO A 27 -2.819 10.452 7.278 1.00 0.00 C ATOM 387 CG PRO A 27 -3.033 8.962 7.484 1.00 0.00 C ATOM 388 CD PRO A 27 -3.797 8.546 6.236 1.00 0.00 C ATOM 0 HA PRO A 27 -2.986 11.561 5.393 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.942 10.807 7.820 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.671 11.030 7.636 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.087 8.428 7.574 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -3.602 8.758 8.391 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.550 7.524 5.947 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -4.873 8.578 6.406 1.00 0.00 H new ATOM 396 N ALA A 28 -0.445 11.636 5.540 1.00 0.00 N ATOM 397 CA ALA A 28 0.988 11.749 5.271 1.00 0.00 C ATOM 398 C ALA A 28 1.833 10.798 6.122 1.00 0.00 C ATOM 399 O ALA A 28 2.967 10.484 5.755 1.00 0.00 O ATOM 400 CB ALA A 28 1.451 13.194 5.461 1.00 0.00 C ATOM 0 H ALA A 28 -0.861 12.512 5.857 1.00 0.00 H new ATOM 0 HA ALA A 28 1.138 11.453 4.233 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.520 13.263 5.258 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.908 13.843 4.774 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.256 13.507 6.487 1.00 0.00 H new ATOM 406 N MET A 29 1.254 10.270 7.202 1.00 0.00 N ATOM 407 CA MET A 29 1.842 9.249 8.047 1.00 0.00 C ATOM 408 C MET A 29 2.256 8.003 7.257 1.00 0.00 C ATOM 409 O MET A 29 3.141 7.288 7.725 1.00 0.00 O ATOM 410 CB MET A 29 0.850 8.853 9.148 1.00 0.00 C ATOM 411 CG MET A 29 0.291 10.025 9.968 1.00 0.00 C ATOM 412 SD MET A 29 1.401 10.767 11.194 1.00 0.00 S ATOM 413 CE MET A 29 0.255 10.774 12.608 1.00 0.00 C ATOM 0 H MET A 29 0.328 10.558 7.517 1.00 0.00 H new ATOM 0 HA MET A 29 2.745 9.673 8.486 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.017 8.319 8.691 1.00 0.00 H new ATOM 0 HB3 MET A 29 1.342 8.156 9.826 1.00 0.00 H new ATOM 0 HG2 MET A 29 -0.021 10.806 9.275 1.00 0.00 H new ATOM 0 HG3 MET A 29 -0.605 9.681 10.485 1.00 0.00 H new ATOM 0 HE1 MET A 29 0.754 11.200 13.479 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.622 11.374 12.363 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.055 9.753 12.831 1.00 0.00 H new ATOM 423 N TYR A 30 1.681 7.771 6.070 1.00 0.00 N ATOM 424 CA TYR A 30 2.033 6.649 5.198 1.00 0.00 C ATOM 425 C TYR A 30 2.595 7.104 3.839 1.00 0.00 C ATOM 426 O TYR A 30 3.056 6.258 3.078 1.00 0.00 O ATOM 427 CB TYR A 30 0.785 5.788 4.992 1.00 0.00 C ATOM 428 CG TYR A 30 0.108 5.344 6.276 1.00 0.00 C ATOM 429 CD1 TYR A 30 0.617 4.263 7.015 1.00 0.00 C ATOM 430 CD2 TYR A 30 -1.040 6.014 6.731 1.00 0.00 C ATOM 431 CE1 TYR A 30 -0.065 3.789 8.146 1.00 0.00 C ATOM 432 CE2 TYR A 30 -1.701 5.582 7.896 1.00 0.00 C ATOM 433 CZ TYR A 30 -1.224 4.451 8.594 1.00 0.00 C ATOM 434 OH TYR A 30 -1.872 3.982 9.690 1.00 0.00 O ATOM 0 H TYR A 30 0.948 8.367 5.685 1.00 0.00 H new ATOM 0 HA TYR A 30 2.825 6.077 5.681 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.067 6.348 4.393 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.060 4.904 4.416 1.00 0.00 H new ATOM 0 HD1 TYR A 30 1.540 3.793 6.710 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.417 6.865 6.184 1.00 0.00 H new ATOM 0 HE1 TYR A 30 0.298 2.918 8.672 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.570 6.114 8.255 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.667 4.552 10.460 1.00 0.00 H new ATOM 444 N LEU A 31 2.592 8.406 3.515 1.00 0.00 N ATOM 445 CA LEU A 31 3.268 8.936 2.315 1.00 0.00 C ATOM 446 C LEU A 31 4.786 8.845 2.490 1.00 0.00 C ATOM 447 O LEU A 31 5.525 8.651 1.521 1.00 0.00 O ATOM 448 CB LEU A 31 2.911 10.419 2.069 1.00 0.00 C ATOM 449 CG LEU A 31 1.625 10.731 1.280 1.00 0.00 C ATOM 450 CD1 LEU A 31 1.743 10.364 -0.198 1.00 0.00 C ATOM 451 CD2 LEU A 31 0.396 10.015 1.818 1.00 0.00 C ATOM 0 H LEU A 31 2.124 9.120 4.073 1.00 0.00 H new ATOM 0 HA LEU A 31 2.934 8.338 1.467 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.835 10.910 3.039 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.746 10.881 1.543 1.00 0.00 H new ATOM 0 HG LEU A 31 1.503 11.807 1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.810 10.604 -0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.559 10.929 -0.649 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.944 9.297 -0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.473 10.280 1.215 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.554 8.937 1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.225 10.313 2.852 1.00 0.00 H new ATOM 463 N THR A 32 5.240 9.014 3.733 1.00 0.00 N ATOM 464 CA THR A 32 6.630 8.930 4.145 1.00 0.00 C ATOM 465 C THR A 32 7.249 7.633 3.587 1.00 0.00 C ATOM 466 O THR A 32 6.582 6.596 3.564 1.00 0.00 O ATOM 467 CB THR A 32 6.626 9.000 5.686 1.00 0.00 C ATOM 468 OG1 THR A 32 7.920 9.053 6.247 1.00 0.00 O ATOM 469 CG2 THR A 32 5.905 7.822 6.339 1.00 0.00 C ATOM 0 H THR A 32 4.614 9.223 4.511 1.00 0.00 H new ATOM 0 HA THR A 32 7.244 9.742 3.756 1.00 0.00 H new ATOM 0 HB THR A 32 6.093 9.928 5.893 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.852 9.098 7.224 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.938 7.931 7.423 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.867 7.802 6.008 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.395 6.891 6.053 1.00 0.00 H new ATOM 477 N PRO A 33 8.530 7.622 3.186 1.00 0.00 N ATOM 478 CA PRO A 33 9.125 6.453 2.543 1.00 0.00 C ATOM 479 C PRO A 33 9.329 5.277 3.507 1.00 0.00 C ATOM 480 O PRO A 33 9.612 4.168 3.059 1.00 0.00 O ATOM 481 CB PRO A 33 10.443 6.953 1.947 1.00 0.00 C ATOM 482 CG PRO A 33 10.817 8.143 2.827 1.00 0.00 C ATOM 483 CD PRO A 33 9.462 8.737 3.207 1.00 0.00 C ATOM 0 HA PRO A 33 8.464 6.047 1.778 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.211 6.180 1.973 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.323 7.249 0.905 1.00 0.00 H new ATOM 0 HG2 PRO A 33 11.381 7.832 3.706 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.435 8.862 2.290 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.499 9.199 4.193 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.162 9.513 2.502 1.00 0.00 H new ATOM 491 N GLU A 34 9.168 5.479 4.815 1.00 0.00 N ATOM 492 CA GLU A 34 9.437 4.482 5.846 1.00 0.00 C ATOM 493 C GLU A 34 8.700 3.152 5.651 1.00 0.00 C ATOM 494 O GLU A 34 9.216 2.111 6.064 1.00 0.00 O ATOM 495 CB GLU A 34 9.089 5.083 7.218 1.00 0.00 C ATOM 496 CG GLU A 34 10.259 5.921 7.756 1.00 0.00 C ATOM 497 CD GLU A 34 10.292 5.955 9.280 1.00 0.00 C ATOM 498 OE1 GLU A 34 10.871 5.013 9.873 1.00 0.00 O ATOM 499 OE2 GLU A 34 9.772 6.919 9.888 1.00 0.00 O ATOM 0 H GLU A 34 8.838 6.366 5.195 1.00 0.00 H new ATOM 0 HA GLU A 34 10.497 4.237 5.776 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.198 5.705 7.133 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.853 4.284 7.921 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.198 5.512 7.383 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.181 6.939 7.373 1.00 0.00 H new ATOM 506 N TYR A 35 7.525 3.168 5.023 1.00 0.00 N ATOM 507 CA TYR A 35 6.626 2.021 4.911 1.00 0.00 C ATOM 508 C TYR A 35 6.450 1.594 3.446 1.00 0.00 C ATOM 509 O TYR A 35 5.651 0.703 3.161 1.00 0.00 O ATOM 510 CB TYR A 35 5.305 2.379 5.612 1.00 0.00 C ATOM 511 CG TYR A 35 5.486 2.875 7.036 1.00 0.00 C ATOM 512 CD1 TYR A 35 5.623 1.980 8.116 1.00 0.00 C ATOM 513 CD2 TYR A 35 5.532 4.259 7.272 1.00 0.00 C ATOM 514 CE1 TYR A 35 5.764 2.481 9.426 1.00 0.00 C ATOM 515 CE2 TYR A 35 5.658 4.765 8.571 1.00 0.00 C ATOM 516 CZ TYR A 35 5.789 3.878 9.659 1.00 0.00 C ATOM 517 OH TYR A 35 5.944 4.380 10.915 1.00 0.00 O ATOM 0 H TYR A 35 7.162 4.004 4.565 1.00 0.00 H new ATOM 0 HA TYR A 35 7.049 1.148 5.408 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.792 3.146 5.032 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.659 1.501 5.622 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.620 0.914 7.941 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.469 4.943 6.439 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.853 1.796 10.256 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.655 5.832 8.739 1.00 0.00 H new ATOM 0 HH TYR A 35 5.938 5.359 10.879 1.00 0.00 H new ATOM 527 N ASN A 36 7.178 2.240 2.527 1.00 0.00 N ATOM 528 CA ASN A 36 7.134 2.068 1.081 1.00 0.00 C ATOM 529 C ASN A 36 7.959 0.845 0.691 1.00 0.00 C ATOM 530 O ASN A 36 9.173 0.817 0.917 1.00 0.00 O ATOM 531 CB ASN A 36 7.703 3.339 0.430 1.00 0.00 C ATOM 532 CG ASN A 36 7.726 3.320 -1.093 1.00 0.00 C ATOM 533 OD1 ASN A 36 7.500 2.313 -1.755 1.00 0.00 O ATOM 534 ND2 ASN A 36 7.999 4.468 -1.687 1.00 0.00 N ATOM 0 H ASN A 36 7.861 2.946 2.801 1.00 0.00 H new ATOM 0 HA ASN A 36 6.111 1.912 0.740 1.00 0.00 H new ATOM 0 HB2 ASN A 36 7.114 4.195 0.760 1.00 0.00 H new ATOM 0 HB3 ASN A 36 8.719 3.493 0.793 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.023 4.522 -2.705 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.186 5.300 -1.127 1.00 0.00 H new ATOM 541 N ILE A 37 7.321 -0.162 0.096 1.00 0.00 N ATOM 542 CA ILE A 37 7.951 -1.401 -0.336 1.00 0.00 C ATOM 543 C ILE A 37 8.138 -1.304 -1.857 1.00 0.00 C ATOM 544 O ILE A 37 7.392 -1.911 -2.635 1.00 0.00 O ATOM 545 CB ILE A 37 7.123 -2.636 0.097 1.00 0.00 C ATOM 546 CG1 ILE A 37 6.489 -2.579 1.500 1.00 0.00 C ATOM 547 CG2 ILE A 37 7.958 -3.914 0.017 1.00 0.00 C ATOM 548 CD1 ILE A 37 5.029 -2.171 1.379 1.00 0.00 C ATOM 0 H ILE A 37 6.321 -0.134 -0.103 1.00 0.00 H new ATOM 0 HA ILE A 37 8.922 -1.535 0.140 1.00 0.00 H new ATOM 0 HB ILE A 37 6.298 -2.634 -0.616 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.567 -3.552 1.986 1.00 0.00 H new ATOM 0 HG13 ILE A 37 7.027 -1.866 2.125 1.00 0.00 H new ATOM 0 HG21 ILE A 37 7.351 -4.765 0.327 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.297 -4.064 -1.008 1.00 0.00 H new ATOM 0 HG23 ILE A 37 8.822 -3.826 0.675 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.579 -2.130 2.371 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.963 -1.189 0.910 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.497 -2.901 0.769 1.00 0.00 H new ATOM 560 N LYS A 38 9.145 -0.544 -2.307 1.00 0.00 N ATOM 561 CA LYS A 38 9.393 -0.343 -3.737 1.00 0.00 C ATOM 562 C LYS A 38 9.708 -1.659 -4.443 1.00 0.00 C ATOM 563 O LYS A 38 9.406 -1.791 -5.628 1.00 0.00 O ATOM 564 CB LYS A 38 10.517 0.682 -3.969 1.00 0.00 C ATOM 565 CG LYS A 38 10.090 2.113 -3.601 1.00 0.00 C ATOM 566 CD LYS A 38 11.081 3.182 -4.080 1.00 0.00 C ATOM 567 CE LYS A 38 12.402 3.067 -3.318 1.00 0.00 C ATOM 568 NZ LYS A 38 13.449 3.964 -3.838 1.00 0.00 N ATOM 0 H LYS A 38 9.802 -0.057 -1.697 1.00 0.00 H new ATOM 0 HA LYS A 38 8.476 0.055 -4.170 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.388 0.402 -3.377 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.820 0.654 -5.016 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.110 2.315 -4.034 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.982 2.186 -2.519 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.260 3.068 -5.149 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.654 4.174 -3.933 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.228 3.292 -2.266 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.756 2.037 -3.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 14.319 3.841 -3.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 13.639 3.735 -4.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.128 4.951 -3.765 1.00 0.00 H new ATOM 582 N GLN A 39 10.315 -2.629 -3.761 1.00 0.00 N ATOM 583 CA GLN A 39 10.444 -3.995 -4.243 1.00 0.00 C ATOM 584 C GLN A 39 9.051 -4.638 -4.277 1.00 0.00 C ATOM 585 O GLN A 39 8.487 -4.936 -3.224 1.00 0.00 O ATOM 586 CB GLN A 39 11.463 -4.738 -3.361 1.00 0.00 C ATOM 587 CG GLN A 39 11.161 -4.762 -1.850 1.00 0.00 C ATOM 588 CD GLN A 39 12.433 -5.018 -1.059 1.00 0.00 C ATOM 589 OE1 GLN A 39 13.016 -4.098 -0.490 1.00 0.00 O ATOM 590 NE2 GLN A 39 12.918 -6.240 -1.060 1.00 0.00 N ATOM 0 H GLN A 39 10.736 -2.481 -2.844 1.00 0.00 H new ATOM 0 HA GLN A 39 10.830 -4.038 -5.262 1.00 0.00 H new ATOM 0 HB2 GLN A 39 11.535 -5.767 -3.713 1.00 0.00 H new ATOM 0 HB3 GLN A 39 12.442 -4.281 -3.508 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.721 -3.812 -1.546 1.00 0.00 H new ATOM 0 HG3 GLN A 39 10.427 -5.538 -1.632 1.00 0.00 H new ATOM 0 HE21 GLN A 39 12.416 -6.988 -1.539 1.00 0.00 H new ATOM 0 HE22 GLN A 39 13.796 -6.441 -0.582 1.00 0.00 H new ATOM 599 N TRP A 40 8.439 -4.803 -5.450 1.00 0.00 N ATOM 600 CA TRP A 40 7.110 -5.409 -5.559 1.00 0.00 C ATOM 601 C TRP A 40 7.043 -6.576 -6.545 1.00 0.00 C ATOM 602 O TRP A 40 6.077 -7.330 -6.470 1.00 0.00 O ATOM 603 CB TRP A 40 6.051 -4.326 -5.836 1.00 0.00 C ATOM 604 CG TRP A 40 6.205 -3.544 -7.110 1.00 0.00 C ATOM 605 CD1 TRP A 40 6.691 -2.286 -7.205 1.00 0.00 C ATOM 606 CD2 TRP A 40 5.919 -3.957 -8.480 1.00 0.00 C ATOM 607 NE1 TRP A 40 6.769 -1.909 -8.532 1.00 0.00 N ATOM 608 CE2 TRP A 40 6.345 -2.921 -9.365 1.00 0.00 C ATOM 609 CE3 TRP A 40 5.360 -5.108 -9.073 1.00 0.00 C ATOM 610 CZ2 TRP A 40 6.306 -3.065 -10.763 1.00 0.00 C ATOM 611 CZ3 TRP A 40 5.325 -5.266 -10.467 1.00 0.00 C ATOM 612 CH2 TRP A 40 5.835 -4.269 -11.313 1.00 0.00 C ATOM 0 H TRP A 40 8.845 -4.524 -6.343 1.00 0.00 H new ATOM 0 HA TRP A 40 6.884 -5.864 -4.595 1.00 0.00 H new ATOM 0 HB2 TRP A 40 5.071 -4.803 -5.845 1.00 0.00 H new ATOM 0 HB3 TRP A 40 6.056 -3.624 -5.002 1.00 0.00 H new ATOM 0 HD1 TRP A 40 6.976 -1.667 -6.367 1.00 0.00 H new ATOM 0 HE1 TRP A 40 7.098 -0.999 -8.853 1.00 0.00 H new ATOM 0 HE3 TRP A 40 4.951 -5.883 -8.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 6.634 -2.261 -11.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 4.901 -6.164 -10.893 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.865 -4.426 -12.381 1.00 0.00 H new ATOM 623 N GLN A 41 8.033 -6.767 -7.426 1.00 0.00 N ATOM 624 CA GLN A 41 7.967 -7.840 -8.421 1.00 0.00 C ATOM 625 C GLN A 41 8.390 -9.190 -7.840 1.00 0.00 C ATOM 626 O GLN A 41 7.868 -10.216 -8.264 1.00 0.00 O ATOM 627 CB GLN A 41 8.790 -7.483 -9.674 1.00 0.00 C ATOM 628 CG GLN A 41 7.955 -7.730 -10.943 1.00 0.00 C ATOM 629 CD GLN A 41 8.582 -7.237 -12.245 1.00 0.00 C ATOM 630 OE1 GLN A 41 8.458 -7.870 -13.290 1.00 0.00 O ATOM 631 NE2 GLN A 41 9.200 -6.068 -12.270 1.00 0.00 N ATOM 0 H GLN A 41 8.879 -6.199 -7.469 1.00 0.00 H new ATOM 0 HA GLN A 41 6.924 -7.939 -8.721 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.099 -6.439 -9.630 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.699 -8.084 -9.705 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.768 -8.800 -11.032 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.986 -7.246 -10.820 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.310 -5.531 -11.410 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.566 -5.703 -13.149 1.00 0.00 H new ATOM 640 N GLN A 42 9.296 -9.219 -6.859 1.00 0.00 N ATOM 641 CA GLN A 42 9.578 -10.403 -6.052 1.00 0.00 C ATOM 642 C GLN A 42 8.637 -10.410 -4.837 1.00 0.00 C ATOM 643 O GLN A 42 9.076 -10.610 -3.700 1.00 0.00 O ATOM 644 CB GLN A 42 11.066 -10.444 -5.657 1.00 0.00 C ATOM 645 CG GLN A 42 12.018 -10.576 -6.855 1.00 0.00 C ATOM 646 CD GLN A 42 13.305 -11.317 -6.489 1.00 0.00 C ATOM 647 OE1 GLN A 42 13.288 -12.508 -6.194 1.00 0.00 O ATOM 648 NE2 GLN A 42 14.464 -10.674 -6.509 1.00 0.00 N ATOM 0 H GLN A 42 9.860 -8.409 -6.602 1.00 0.00 H new ATOM 0 HA GLN A 42 9.391 -11.310 -6.627 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.312 -9.536 -5.107 1.00 0.00 H new ATOM 0 HB3 GLN A 42 11.230 -11.282 -4.979 1.00 0.00 H new ATOM 0 HG2 GLN A 42 11.512 -11.106 -7.662 1.00 0.00 H new ATOM 0 HG3 GLN A 42 12.266 -9.584 -7.231 1.00 0.00 H new ATOM 0 HE21 GLN A 42 14.494 -9.684 -6.752 1.00 0.00 H new ATOM 0 HE22 GLN A 42 15.326 -11.169 -6.281 1.00 0.00 H new ATOM 657 N ARG A 43 7.356 -10.112 -5.069 1.00 0.00 N ATOM 658 CA ARG A 43 6.240 -10.236 -4.140 1.00 0.00 C ATOM 659 C ARG A 43 5.015 -10.603 -4.979 1.00 0.00 C ATOM 660 O ARG A 43 5.146 -10.936 -6.157 1.00 0.00 O ATOM 661 CB ARG A 43 6.041 -8.952 -3.305 1.00 0.00 C ATOM 662 CG ARG A 43 7.014 -8.870 -2.119 1.00 0.00 C ATOM 663 CD ARG A 43 6.595 -7.799 -1.110 1.00 0.00 C ATOM 664 NE ARG A 43 6.603 -6.467 -1.737 1.00 0.00 N ATOM 665 CZ ARG A 43 5.632 -5.555 -1.707 1.00 0.00 C ATOM 666 NH1 ARG A 43 4.557 -5.734 -0.951 1.00 0.00 N ATOM 667 NH2 ARG A 43 5.762 -4.453 -2.436 1.00 0.00 N ATOM 0 H ARG A 43 7.055 -9.753 -5.975 1.00 0.00 H new ATOM 0 HA ARG A 43 6.428 -11.013 -3.399 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.178 -8.080 -3.945 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.017 -8.918 -2.934 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.062 -9.839 -1.621 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.016 -8.650 -2.486 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.599 -8.021 -0.728 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.273 -7.810 -0.257 1.00 0.00 H new ATOM 0 HE ARG A 43 7.446 -6.214 -2.252 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.467 -6.577 -0.384 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.820 -5.029 -0.937 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.596 -4.315 -3.007 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.028 -3.745 -2.425 1.00 0.00 H new ATOM 681 N ASN A 44 3.829 -10.577 -4.376 1.00 0.00 N ATOM 682 CA ASN A 44 2.582 -10.998 -5.019 1.00 0.00 C ATOM 683 C ASN A 44 1.852 -9.823 -5.647 1.00 0.00 C ATOM 684 O ASN A 44 0.889 -10.012 -6.384 1.00 0.00 O ATOM 685 CB ASN A 44 1.629 -11.616 -3.989 1.00 0.00 C ATOM 686 CG ASN A 44 2.365 -12.561 -3.072 1.00 0.00 C ATOM 687 OD1 ASN A 44 2.946 -12.110 -2.088 1.00 0.00 O ATOM 688 ND2 ASN A 44 2.483 -13.815 -3.431 1.00 0.00 N ATOM 0 H ASN A 44 3.703 -10.259 -3.415 1.00 0.00 H new ATOM 0 HA ASN A 44 2.858 -11.722 -5.786 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.159 -10.826 -3.403 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.829 -12.150 -4.502 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.071 -14.448 -2.888 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.987 -14.159 -4.253 1.00 0.00 H new ATOM 695 N LEU A 45 2.227 -8.598 -5.272 1.00 0.00 N ATOM 696 CA LEU A 45 1.454 -7.425 -5.627 1.00 0.00 C ATOM 697 C LEU A 45 1.499 -7.233 -7.146 1.00 0.00 C ATOM 698 O LEU A 45 2.497 -7.588 -7.787 1.00 0.00 O ATOM 699 CB LEU A 45 1.987 -6.181 -4.893 1.00 0.00 C ATOM 700 CG LEU A 45 1.584 -6.041 -3.410 1.00 0.00 C ATOM 701 CD1 LEU A 45 0.070 -6.023 -3.195 1.00 0.00 C ATOM 702 CD2 LEU A 45 2.211 -7.095 -2.498 1.00 0.00 C ATOM 0 H LEU A 45 3.063 -8.401 -4.722 1.00 0.00 H new ATOM 0 HA LEU A 45 0.418 -7.566 -5.319 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.075 -6.188 -4.953 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.644 -5.295 -5.427 1.00 0.00 H new ATOM 0 HG LEU A 45 1.987 -5.069 -3.127 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.145 -5.922 -2.131 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.364 -5.181 -3.734 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.361 -6.953 -3.566 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.881 -6.931 -1.472 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.903 -8.088 -2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.297 -7.018 -2.546 1.00 0.00 H new ATOM 714 N PRO A 46 0.451 -6.642 -7.737 1.00 0.00 N ATOM 715 CA PRO A 46 0.499 -6.220 -9.120 1.00 0.00 C ATOM 716 C PRO A 46 1.425 -5.011 -9.243 1.00 0.00 C ATOM 717 O PRO A 46 1.793 -4.361 -8.253 1.00 0.00 O ATOM 718 CB PRO A 46 -0.941 -5.866 -9.494 1.00 0.00 C ATOM 719 CG PRO A 46 -1.565 -5.454 -8.173 1.00 0.00 C ATOM 720 CD PRO A 46 -0.775 -6.193 -7.098 1.00 0.00 C ATOM 0 HA PRO A 46 0.888 -6.991 -9.785 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -0.978 -5.057 -10.224 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -1.461 -6.717 -9.934 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.505 -4.375 -8.031 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.621 -5.722 -8.138 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.558 -5.538 -6.254 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.343 -7.037 -6.708 1.00 0.00 H new ATOM 728 N ALA A 47 1.736 -4.655 -10.485 1.00 0.00 N ATOM 729 CA ALA A 47 2.423 -3.409 -10.762 1.00 0.00 C ATOM 730 C ALA A 47 1.582 -2.225 -10.251 1.00 0.00 C ATOM 731 O ALA A 47 0.348 -2.303 -10.294 1.00 0.00 O ATOM 732 CB ALA A 47 2.695 -3.318 -12.261 1.00 0.00 C ATOM 0 H ALA A 47 1.522 -5.214 -11.311 1.00 0.00 H new ATOM 0 HA ALA A 47 3.379 -3.374 -10.240 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.212 -2.384 -12.481 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.317 -4.158 -12.570 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.751 -3.347 -12.805 1.00 0.00 H new ATOM 738 N PRO A 48 2.214 -1.137 -9.778 1.00 0.00 N ATOM 739 CA PRO A 48 1.542 0.073 -9.311 1.00 0.00 C ATOM 740 C PRO A 48 0.903 0.844 -10.481 1.00 0.00 C ATOM 741 O PRO A 48 0.763 0.317 -11.589 1.00 0.00 O ATOM 742 CB PRO A 48 2.636 0.855 -8.567 1.00 0.00 C ATOM 743 CG PRO A 48 3.918 0.449 -9.280 1.00 0.00 C ATOM 744 CD PRO A 48 3.654 -1.009 -9.623 1.00 0.00 C ATOM 0 HA PRO A 48 0.700 -0.128 -8.649 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.469 1.931 -8.625 1.00 0.00 H new ATOM 0 HB3 PRO A 48 2.666 0.594 -7.509 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.095 1.050 -10.172 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.793 0.564 -8.640 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.171 -1.292 -10.540 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.020 -1.666 -8.835 1.00 0.00 H new ATOM 752 N ASP A 49 0.480 2.085 -10.252 1.00 0.00 N ATOM 753 CA ASP A 49 0.134 3.038 -11.307 1.00 0.00 C ATOM 754 C ASP A 49 1.350 3.953 -11.482 1.00 0.00 C ATOM 755 O ASP A 49 2.243 3.982 -10.629 1.00 0.00 O ATOM 756 CB ASP A 49 -1.129 3.855 -10.964 1.00 0.00 C ATOM 757 CG ASP A 49 -2.407 3.017 -10.855 1.00 0.00 C ATOM 758 OD1 ASP A 49 -2.481 2.099 -10.008 1.00 0.00 O ATOM 759 OD2 ASP A 49 -3.341 3.267 -11.654 1.00 0.00 O ATOM 0 H ASP A 49 0.366 2.464 -9.312 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.102 2.508 -12.230 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.967 4.375 -10.020 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.273 4.619 -11.728 1.00 0.00 H new ATOM 764 N ALA A 50 1.407 4.713 -12.576 1.00 0.00 N ATOM 765 CA ALA A 50 2.547 5.539 -12.977 1.00 0.00 C ATOM 766 C ALA A 50 2.658 6.848 -12.168 1.00 0.00 C ATOM 767 O ALA A 50 2.855 7.926 -12.742 1.00 0.00 O ATOM 768 CB ALA A 50 2.442 5.801 -14.482 1.00 0.00 C ATOM 0 H ALA A 50 0.629 4.773 -13.233 1.00 0.00 H new ATOM 0 HA ALA A 50 3.468 4.998 -12.758 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.283 6.416 -14.804 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.460 4.852 -15.019 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.509 6.322 -14.696 1.00 0.00 H new ATOM 774 N GLY A 51 2.531 6.749 -10.847 1.00 0.00 N ATOM 775 CA GLY A 51 2.679 7.821 -9.869 1.00 0.00 C ATOM 776 C GLY A 51 2.328 7.349 -8.454 1.00 0.00 C ATOM 777 O GLY A 51 1.931 8.157 -7.610 1.00 0.00 O ATOM 0 H GLY A 51 2.307 5.858 -10.403 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.705 8.190 -9.886 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.035 8.656 -10.144 1.00 0.00 H new ATOM 781 N SER A 52 2.403 6.041 -8.180 1.00 0.00 N ATOM 782 CA SER A 52 2.026 5.466 -6.898 1.00 0.00 C ATOM 783 C SER A 52 2.998 4.368 -6.480 1.00 0.00 C ATOM 784 O SER A 52 3.780 3.875 -7.301 1.00 0.00 O ATOM 785 CB SER A 52 0.574 4.975 -6.989 1.00 0.00 C ATOM 786 OG SER A 52 0.386 4.023 -8.015 1.00 0.00 O ATOM 0 H SER A 52 2.732 5.350 -8.855 1.00 0.00 H new ATOM 0 HA SER A 52 2.084 6.223 -6.116 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.282 4.537 -6.034 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.083 5.827 -7.164 1.00 0.00 H new ATOM 0 HG SER A 52 1.035 4.182 -8.732 1.00 0.00 H new ATOM 792 N HIS A 53 2.951 3.975 -5.207 1.00 0.00 N ATOM 793 CA HIS A 53 3.797 2.925 -4.667 1.00 0.00 C ATOM 794 C HIS A 53 3.076 2.144 -3.570 1.00 0.00 C ATOM 795 O HIS A 53 2.117 2.628 -2.963 1.00 0.00 O ATOM 796 CB HIS A 53 5.108 3.527 -4.154 1.00 0.00 C ATOM 797 CG HIS A 53 4.929 4.603 -3.111 1.00 0.00 C ATOM 798 ND1 HIS A 53 4.901 5.965 -3.326 1.00 0.00 N ATOM 799 CD2 HIS A 53 4.808 4.395 -1.766 1.00 0.00 C ATOM 800 CE1 HIS A 53 4.726 6.557 -2.131 1.00 0.00 C ATOM 801 NE2 HIS A 53 4.703 5.643 -1.149 1.00 0.00 N ATOM 0 H HIS A 53 2.317 4.384 -4.520 1.00 0.00 H new ATOM 0 HA HIS A 53 4.029 2.218 -5.464 1.00 0.00 H new ATOM 0 HB2 HIS A 53 5.722 2.729 -3.735 1.00 0.00 H new ATOM 0 HB3 HIS A 53 5.658 3.943 -4.998 1.00 0.00 H new ATOM 0 HD2 HIS A 53 4.796 3.436 -1.269 1.00 0.00 H new ATOM 0 HE1 HIS A 53 4.619 7.621 -1.982 1.00 0.00 H new ATOM 0 HE2 HIS A 53 4.624 5.824 -0.148 1.00 0.00 H new ATOM 809 N TRP A 54 3.524 0.907 -3.358 1.00 0.00 N ATOM 810 CA TRP A 54 2.968 0.001 -2.366 1.00 0.00 C ATOM 811 C TRP A 54 3.484 0.390 -0.981 1.00 0.00 C ATOM 812 O TRP A 54 4.693 0.575 -0.835 1.00 0.00 O ATOM 813 CB TRP A 54 3.360 -1.439 -2.743 1.00 0.00 C ATOM 814 CG TRP A 54 2.604 -1.975 -3.928 1.00 0.00 C ATOM 815 CD1 TRP A 54 3.072 -2.179 -5.188 1.00 0.00 C ATOM 816 CD2 TRP A 54 1.183 -2.295 -3.981 1.00 0.00 C ATOM 817 NE1 TRP A 54 2.038 -2.632 -5.993 1.00 0.00 N ATOM 818 CE2 TRP A 54 0.844 -2.615 -5.322 1.00 0.00 C ATOM 819 CE3 TRP A 54 0.139 -2.314 -3.036 1.00 0.00 C ATOM 820 CZ2 TRP A 54 -0.466 -2.871 -5.727 1.00 0.00 C ATOM 821 CZ3 TRP A 54 -1.187 -2.605 -3.414 1.00 0.00 C ATOM 822 CH2 TRP A 54 -1.486 -2.864 -4.766 1.00 0.00 C ATOM 0 H TRP A 54 4.299 0.503 -3.884 1.00 0.00 H new ATOM 0 HA TRP A 54 1.880 0.066 -2.343 1.00 0.00 H new ATOM 0 HB2 TRP A 54 4.428 -1.472 -2.958 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.187 -2.091 -1.886 1.00 0.00 H new ATOM 0 HD1 TRP A 54 4.089 -2.014 -5.511 1.00 0.00 H new ATOM 0 HE1 TRP A 54 2.152 -2.938 -6.959 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.359 -2.101 -2.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.691 -3.071 -6.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.970 -2.629 -2.671 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.506 -3.058 -5.063 1.00 0.00 H new ATOM 833 N THR A 55 2.611 0.448 0.026 1.00 0.00 N ATOM 834 CA THR A 55 2.962 0.677 1.424 1.00 0.00 C ATOM 835 C THR A 55 2.339 -0.430 2.297 1.00 0.00 C ATOM 836 O THR A 55 1.482 -1.179 1.810 1.00 0.00 O ATOM 837 CB THR A 55 2.595 2.106 1.860 1.00 0.00 C ATOM 838 OG1 THR A 55 1.205 2.269 2.038 1.00 0.00 O ATOM 839 CG2 THR A 55 3.082 3.179 0.890 1.00 0.00 C ATOM 0 H THR A 55 1.608 0.333 -0.116 1.00 0.00 H new ATOM 0 HA THR A 55 4.042 0.611 1.556 1.00 0.00 H new ATOM 0 HB THR A 55 3.109 2.238 2.812 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.017 3.190 2.316 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.789 4.162 1.258 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.168 3.130 0.809 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.637 3.012 -0.091 1.00 0.00 H new ATOM 847 N TYR A 56 2.766 -0.581 3.558 1.00 0.00 N ATOM 848 CA TYR A 56 2.238 -1.549 4.517 1.00 0.00 C ATOM 849 C TYR A 56 1.446 -0.788 5.586 1.00 0.00 C ATOM 850 O TYR A 56 2.032 -0.083 6.416 1.00 0.00 O ATOM 851 CB TYR A 56 3.386 -2.373 5.133 1.00 0.00 C ATOM 852 CG TYR A 56 3.086 -3.829 5.450 1.00 0.00 C ATOM 853 CD1 TYR A 56 1.803 -4.265 5.839 1.00 0.00 C ATOM 854 CD2 TYR A 56 4.137 -4.759 5.369 1.00 0.00 C ATOM 855 CE1 TYR A 56 1.588 -5.619 6.166 1.00 0.00 C ATOM 856 CE2 TYR A 56 3.930 -6.111 5.693 1.00 0.00 C ATOM 857 CZ TYR A 56 2.649 -6.544 6.097 1.00 0.00 C ATOM 858 OH TYR A 56 2.413 -7.837 6.436 1.00 0.00 O ATOM 0 H TYR A 56 3.516 -0.010 3.948 1.00 0.00 H new ATOM 0 HA TYR A 56 1.572 -2.254 4.019 1.00 0.00 H new ATOM 0 HB2 TYR A 56 4.233 -2.341 4.448 1.00 0.00 H new ATOM 0 HB3 TYR A 56 3.702 -1.882 6.054 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.985 -3.562 5.886 1.00 0.00 H new ATOM 0 HD2 TYR A 56 5.116 -4.430 5.054 1.00 0.00 H new ATOM 0 HE1 TYR A 56 0.606 -5.949 6.471 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.747 -6.815 5.633 1.00 0.00 H new ATOM 0 HH TYR A 56 3.238 -8.357 6.338 1.00 0.00 H new ATOM 868 N MET A 57 0.118 -0.865 5.532 1.00 0.00 N ATOM 869 CA MET A 57 -0.806 -0.308 6.522 1.00 0.00 C ATOM 870 C MET A 57 -0.855 -1.242 7.738 1.00 0.00 C ATOM 871 O MET A 57 0.113 -1.955 8.006 1.00 0.00 O ATOM 872 CB MET A 57 -2.197 -0.108 5.893 1.00 0.00 C ATOM 873 CG MET A 57 -2.187 0.814 4.698 1.00 0.00 C ATOM 874 SD MET A 57 -1.644 2.527 4.946 1.00 0.00 S ATOM 875 CE MET A 57 -3.052 3.204 5.867 1.00 0.00 C ATOM 0 H MET A 57 -0.365 -1.336 4.767 1.00 0.00 H new ATOM 0 HA MET A 57 -0.459 0.670 6.854 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.594 -1.077 5.592 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.874 0.293 6.647 1.00 0.00 H new ATOM 0 HG2 MET A 57 -1.546 0.368 3.938 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.197 0.840 4.288 1.00 0.00 H new ATOM 0 HE1 MET A 57 -3.080 4.287 5.745 1.00 0.00 H new ATOM 0 HE2 MET A 57 -3.977 2.772 5.486 1.00 0.00 H new ATOM 0 HE3 MET A 57 -2.946 2.960 6.924 1.00 0.00 H new ATOM 885 N GLY A 58 -1.973 -1.217 8.474 1.00 0.00 N ATOM 886 CA GLY A 58 -2.347 -2.063 9.595 1.00 0.00 C ATOM 887 C GLY A 58 -2.460 -3.523 9.190 1.00 0.00 C ATOM 888 O GLY A 58 -3.548 -4.090 9.225 1.00 0.00 O ATOM 0 H GLY A 58 -2.704 -0.534 8.273 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.606 -1.963 10.388 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.299 -1.725 10.003 1.00 0.00 H new ATOM 892 N GLY A 59 -1.341 -4.123 8.795 1.00 0.00 N ATOM 893 CA GLY A 59 -1.249 -5.522 8.451 1.00 0.00 C ATOM 894 C GLY A 59 -1.725 -5.860 7.050 1.00 0.00 C ATOM 895 O GLY A 59 -1.868 -7.047 6.772 1.00 0.00 O ATOM 0 H GLY A 59 -0.454 -3.628 8.706 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.212 -5.841 8.555 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.833 -6.098 9.168 1.00 0.00 H new ATOM 899 N ASN A 60 -1.902 -4.881 6.151 1.00 0.00 N ATOM 900 CA ASN A 60 -2.255 -5.125 4.759 1.00 0.00 C ATOM 901 C ASN A 60 -1.425 -4.210 3.874 1.00 0.00 C ATOM 902 O ASN A 60 -0.954 -3.167 4.334 1.00 0.00 O ATOM 903 CB ASN A 60 -3.736 -4.827 4.533 1.00 0.00 C ATOM 904 CG ASN A 60 -4.607 -5.305 5.689 1.00 0.00 C ATOM 905 OD1 ASN A 60 -4.840 -6.498 5.813 1.00 0.00 O ATOM 906 ND2 ASN A 60 -5.061 -4.394 6.545 1.00 0.00 N ATOM 0 H ASN A 60 -1.802 -3.892 6.379 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.059 -6.169 4.515 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.872 -3.754 4.399 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.064 -5.308 3.611 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.628 -4.682 7.343 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.843 -3.408 6.404 1.00 0.00 H new ATOM 913 N TYR A 61 -1.279 -4.559 2.601 1.00 0.00 N ATOM 914 CA TYR A 61 -0.534 -3.766 1.638 1.00 0.00 C ATOM 915 C TYR A 61 -1.504 -2.887 0.874 1.00 0.00 C ATOM 916 O TYR A 61 -2.548 -3.365 0.430 1.00 0.00 O ATOM 917 CB TYR A 61 0.179 -4.683 0.648 1.00 0.00 C ATOM 918 CG TYR A 61 1.305 -5.457 1.284 1.00 0.00 C ATOM 919 CD1 TYR A 61 2.581 -4.881 1.335 1.00 0.00 C ATOM 920 CD2 TYR A 61 1.066 -6.706 1.878 1.00 0.00 C ATOM 921 CE1 TYR A 61 3.646 -5.586 1.913 1.00 0.00 C ATOM 922 CE2 TYR A 61 2.124 -7.405 2.504 1.00 0.00 C ATOM 923 CZ TYR A 61 3.430 -6.856 2.484 1.00 0.00 C ATOM 924 OH TYR A 61 4.516 -7.534 2.941 1.00 0.00 O ATOM 0 H TYR A 61 -1.680 -5.410 2.207 1.00 0.00 H new ATOM 0 HA TYR A 61 0.202 -3.158 2.164 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.541 -5.381 0.221 1.00 0.00 H new ATOM 0 HB3 TYR A 61 0.572 -4.087 -0.176 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.744 -3.894 0.929 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.074 -7.133 1.857 1.00 0.00 H new ATOM 0 HE1 TYR A 61 4.636 -5.154 1.921 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.938 -8.350 2.993 1.00 0.00 H new ATOM 0 HH TYR A 61 4.665 -7.315 3.885 1.00 0.00 H new ATOM 934 N VAL A 62 -1.166 -1.624 0.644 1.00 0.00 N ATOM 935 CA VAL A 62 -2.042 -0.721 -0.091 1.00 0.00 C ATOM 936 C VAL A 62 -1.217 0.086 -1.090 1.00 0.00 C ATOM 937 O VAL A 62 0.000 0.184 -0.946 1.00 0.00 O ATOM 938 CB VAL A 62 -2.872 0.125 0.895 1.00 0.00 C ATOM 939 CG1 VAL A 62 -3.566 -0.722 1.975 1.00 0.00 C ATOM 940 CG2 VAL A 62 -2.043 1.227 1.562 1.00 0.00 C ATOM 0 H VAL A 62 -0.291 -1.202 0.956 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.771 -1.274 -0.683 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.644 0.592 0.283 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.135 -0.071 2.639 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.241 -1.435 1.501 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.815 -1.262 2.552 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.674 1.793 2.247 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.219 0.777 2.116 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.645 1.895 0.799 1.00 0.00 H new ATOM 950 N LEU A 63 -1.857 0.624 -2.124 1.00 0.00 N ATOM 951 CA LEU A 63 -1.208 1.377 -3.199 1.00 0.00 C ATOM 952 C LEU A 63 -1.645 2.830 -3.121 1.00 0.00 C ATOM 953 O LEU A 63 -2.832 3.104 -3.311 1.00 0.00 O ATOM 954 CB LEU A 63 -1.583 0.764 -4.553 1.00 0.00 C ATOM 955 CG LEU A 63 -0.990 1.487 -5.774 1.00 0.00 C ATOM 956 CD1 LEU A 63 0.538 1.509 -5.738 1.00 0.00 C ATOM 957 CD2 LEU A 63 -1.453 0.783 -7.052 1.00 0.00 C ATOM 0 H LEU A 63 -2.867 0.548 -2.243 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.124 1.330 -3.090 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.255 -0.275 -4.569 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.669 0.757 -4.645 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.341 2.519 -5.754 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.915 2.029 -6.619 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.873 2.027 -4.839 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.917 0.487 -5.730 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.035 1.293 -7.920 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.113 -0.253 -7.040 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.541 0.807 -7.107 1.00 0.00 H new ATOM 969 N ILE A 64 -0.724 3.745 -2.825 1.00 0.00 N ATOM 970 CA ILE A 64 -1.015 5.165 -2.615 1.00 0.00 C ATOM 971 C ILE A 64 -0.259 6.010 -3.635 1.00 0.00 C ATOM 972 O ILE A 64 0.852 5.643 -4.022 1.00 0.00 O ATOM 973 CB ILE A 64 -0.667 5.576 -1.174 1.00 0.00 C ATOM 974 CG1 ILE A 64 0.792 5.284 -0.752 1.00 0.00 C ATOM 975 CG2 ILE A 64 -1.619 4.904 -0.185 1.00 0.00 C ATOM 976 CD1 ILE A 64 1.485 6.550 -0.260 1.00 0.00 C ATOM 0 H ILE A 64 0.265 3.517 -2.722 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.082 5.337 -2.759 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.781 6.660 -1.154 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.802 4.531 0.036 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.342 4.869 -1.597 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.360 5.204 0.830 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.643 5.206 -0.403 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.533 3.821 -0.276 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.509 6.315 0.030 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.495 7.293 -1.058 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.947 6.949 0.600 1.00 0.00 H new ATOM 988 N THR A 65 -0.842 7.119 -4.105 1.00 0.00 N ATOM 989 CA THR A 65 -0.113 8.014 -4.997 1.00 0.00 C ATOM 990 C THR A 65 0.933 8.770 -4.190 1.00 0.00 C ATOM 991 O THR A 65 0.644 9.277 -3.113 1.00 0.00 O ATOM 992 CB THR A 65 -1.043 8.955 -5.783 1.00 0.00 C ATOM 993 OG1 THR A 65 -2.164 9.378 -5.044 1.00 0.00 O ATOM 994 CG2 THR A 65 -1.562 8.265 -7.042 1.00 0.00 C ATOM 0 H THR A 65 -1.795 7.410 -3.886 1.00 0.00 H new ATOM 0 HA THR A 65 0.390 7.417 -5.758 1.00 0.00 H new ATOM 0 HB THR A 65 -0.435 9.827 -6.024 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.860 9.694 -5.657 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.218 8.945 -7.585 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.721 7.987 -7.677 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.118 7.370 -6.763 1.00 0.00 H new ATOM 1002 N ASP A 66 2.135 8.919 -4.733 1.00 0.00 N ATOM 1003 CA ASP A 66 3.250 9.641 -4.086 1.00 0.00 C ATOM 1004 C ASP A 66 3.120 11.162 -4.180 1.00 0.00 C ATOM 1005 O ASP A 66 4.070 11.923 -3.996 1.00 0.00 O ATOM 1006 CB ASP A 66 4.548 9.224 -4.756 1.00 0.00 C ATOM 1007 CG ASP A 66 5.766 9.257 -3.823 1.00 0.00 C ATOM 1008 OD1 ASP A 66 5.696 9.825 -2.703 1.00 0.00 O ATOM 1009 OD2 ASP A 66 6.799 8.674 -4.191 1.00 0.00 O ATOM 0 H ASP A 66 2.377 8.540 -5.648 1.00 0.00 H new ATOM 0 HA ASP A 66 3.233 9.381 -3.028 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.433 8.215 -5.153 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.735 9.881 -5.605 1.00 0.00 H new ATOM 1014 N THR A 67 1.946 11.577 -4.617 1.00 0.00 N ATOM 1015 CA THR A 67 1.603 12.922 -5.040 1.00 0.00 C ATOM 1016 C THR A 67 0.195 13.315 -4.535 1.00 0.00 C ATOM 1017 O THR A 67 -0.337 14.356 -4.922 1.00 0.00 O ATOM 1018 CB THR A 67 1.839 12.965 -6.567 1.00 0.00 C ATOM 1019 OG1 THR A 67 1.961 14.280 -7.070 1.00 0.00 O ATOM 1020 CG2 THR A 67 0.833 12.142 -7.382 1.00 0.00 C ATOM 0 H THR A 67 1.153 10.940 -4.691 1.00 0.00 H new ATOM 0 HA THR A 67 2.229 13.696 -4.596 1.00 0.00 H new ATOM 0 HB THR A 67 2.804 12.476 -6.702 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.110 14.247 -8.038 1.00 0.00 H new ATOM 0 HG21 THR A 67 1.069 12.226 -8.443 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.888 11.096 -7.079 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.174 12.518 -7.204 1.00 0.00 H new ATOM 1028 N GLU A 68 -0.431 12.487 -3.684 1.00 0.00 N ATOM 1029 CA GLU A 68 -1.744 12.738 -3.081 1.00 0.00 C ATOM 1030 C GLU A 68 -1.970 11.739 -1.939 1.00 0.00 C ATOM 1031 O GLU A 68 -2.308 12.126 -0.820 1.00 0.00 O ATOM 1032 CB GLU A 68 -2.822 12.624 -4.180 1.00 0.00 C ATOM 1033 CG GLU A 68 -4.274 12.516 -3.717 1.00 0.00 C ATOM 1034 CD GLU A 68 -5.251 12.869 -4.850 1.00 0.00 C ATOM 1035 OE1 GLU A 68 -5.613 14.064 -4.980 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -5.685 11.988 -5.621 1.00 0.00 O ATOM 0 H GLU A 68 -0.024 11.599 -3.390 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.800 13.741 -2.657 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.737 13.495 -4.830 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.594 11.749 -4.789 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.471 11.503 -3.367 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.439 13.184 -2.871 1.00 0.00 H new ATOM 1043 N GLY A 69 -1.735 10.453 -2.208 1.00 0.00 N ATOM 1044 CA GLY A 69 -1.935 9.352 -1.278 1.00 0.00 C ATOM 1045 C GLY A 69 -3.237 8.601 -1.532 1.00 0.00 C ATOM 1046 O GLY A 69 -3.769 7.951 -0.630 1.00 0.00 O ATOM 0 H GLY A 69 -1.387 10.144 -3.116 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.098 8.658 -1.356 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.935 9.738 -0.258 1.00 0.00 H new ATOM 1050 N LYS A 70 -3.809 8.734 -2.728 1.00 0.00 N ATOM 1051 CA LYS A 70 -5.118 8.182 -3.038 1.00 0.00 C ATOM 1052 C LYS A 70 -5.067 6.663 -3.020 1.00 0.00 C ATOM 1053 O LYS A 70 -4.164 6.073 -3.605 1.00 0.00 O ATOM 1054 CB LYS A 70 -5.613 8.768 -4.370 1.00 0.00 C ATOM 1055 CG LYS A 70 -7.042 9.287 -4.195 1.00 0.00 C ATOM 1056 CD LYS A 70 -8.102 8.197 -4.359 1.00 0.00 C ATOM 1057 CE LYS A 70 -8.350 7.826 -5.821 1.00 0.00 C ATOM 1058 NZ LYS A 70 -8.868 8.972 -6.590 1.00 0.00 N ATOM 0 H LYS A 70 -3.374 9.229 -3.507 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.844 8.465 -2.276 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.957 9.577 -4.691 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.584 8.006 -5.149 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.141 9.735 -3.206 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.227 10.077 -4.923 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -7.790 7.308 -3.811 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.036 8.535 -3.911 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.421 7.475 -6.271 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -9.061 7.001 -5.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -9.351 8.627 -7.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.540 9.508 -6.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -8.079 9.591 -6.865 1.00 0.00 H new ATOM 1072 N ILE A 71 -6.014 6.039 -2.323 1.00 0.00 N ATOM 1073 CA ILE A 71 -6.085 4.610 -2.091 1.00 0.00 C ATOM 1074 C ILE A 71 -6.545 3.953 -3.381 1.00 0.00 C ATOM 1075 O ILE A 71 -7.744 3.853 -3.649 1.00 0.00 O ATOM 1076 CB ILE A 71 -6.967 4.305 -0.854 1.00 0.00 C ATOM 1077 CG1 ILE A 71 -6.278 4.949 0.373 1.00 0.00 C ATOM 1078 CG2 ILE A 71 -7.175 2.795 -0.617 1.00 0.00 C ATOM 1079 CD1 ILE A 71 -7.002 4.768 1.700 1.00 0.00 C ATOM 0 H ILE A 71 -6.785 6.545 -1.887 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.111 4.188 -1.841 1.00 0.00 H new ATOM 0 HB ILE A 71 -7.961 4.719 -1.022 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -5.275 4.531 0.466 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.162 6.016 0.184 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.801 2.648 0.263 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -7.662 2.354 -1.487 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.209 2.315 -0.460 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.436 5.256 2.493 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -7.995 5.213 1.636 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.094 3.705 1.922 1.00 0.00 H new ATOM 1091 N LEU A 72 -5.581 3.550 -4.209 1.00 0.00 N ATOM 1092 CA LEU A 72 -5.862 2.957 -5.505 1.00 0.00 C ATOM 1093 C LEU A 72 -6.253 1.491 -5.346 1.00 0.00 C ATOM 1094 O LEU A 72 -7.168 1.035 -6.025 1.00 0.00 O ATOM 1095 CB LEU A 72 -4.655 3.091 -6.448 1.00 0.00 C ATOM 1096 CG LEU A 72 -4.106 4.520 -6.627 1.00 0.00 C ATOM 1097 CD1 LEU A 72 -3.078 4.532 -7.761 1.00 0.00 C ATOM 1098 CD2 LEU A 72 -5.206 5.552 -6.917 1.00 0.00 C ATOM 0 H LEU A 72 -4.587 3.628 -3.995 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.699 3.496 -5.949 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.852 2.457 -6.073 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.937 2.704 -7.427 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.641 4.807 -5.684 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.689 5.542 -7.889 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.259 3.856 -7.517 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.553 4.207 -8.686 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.758 6.539 -7.033 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.727 5.280 -7.835 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.915 5.571 -6.089 1.00 0.00 H new ATOM 1110 N LYS A 73 -5.554 0.735 -4.491 1.00 0.00 N ATOM 1111 CA LYS A 73 -5.763 -0.702 -4.303 1.00 0.00 C ATOM 1112 C LYS A 73 -5.425 -1.056 -2.859 1.00 0.00 C ATOM 1113 O LYS A 73 -4.576 -0.389 -2.264 1.00 0.00 O ATOM 1114 CB LYS A 73 -4.831 -1.497 -5.229 1.00 0.00 C ATOM 1115 CG LYS A 73 -5.002 -1.238 -6.735 1.00 0.00 C ATOM 1116 CD LYS A 73 -3.925 -2.022 -7.496 1.00 0.00 C ATOM 1117 CE LYS A 73 -3.927 -1.843 -9.013 1.00 0.00 C ATOM 1118 NZ LYS A 73 -3.613 -0.462 -9.465 1.00 0.00 N ATOM 0 H LYS A 73 -4.814 1.114 -3.900 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.799 -0.949 -4.533 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.800 -1.272 -4.956 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.985 -2.560 -5.043 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.995 -1.547 -7.061 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.914 -0.172 -6.947 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.948 -1.726 -7.114 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.047 -3.082 -7.273 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.202 -2.530 -9.449 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.906 -2.126 -9.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.766 -0.389 -10.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.233 0.213 -8.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.620 -0.243 -9.247 1.00 0.00 H new ATOM 1132 N VAL A 74 -5.996 -2.139 -2.338 1.00 0.00 N ATOM 1133 CA VAL A 74 -5.731 -2.694 -1.014 1.00 0.00 C ATOM 1134 C VAL A 74 -5.658 -4.204 -1.233 1.00 0.00 C ATOM 1135 O VAL A 74 -6.586 -4.767 -1.817 1.00 0.00 O ATOM 1136 CB VAL A 74 -6.860 -2.289 -0.033 1.00 0.00 C ATOM 1137 CG1 VAL A 74 -6.709 -2.868 1.388 1.00 0.00 C ATOM 1138 CG2 VAL A 74 -6.971 -0.761 0.097 1.00 0.00 C ATOM 0 H VAL A 74 -6.690 -2.680 -2.854 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.808 -2.323 -0.568 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.759 -2.715 -0.478 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.542 -2.534 2.007 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.707 -3.957 1.339 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.771 -2.523 1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.773 -0.512 0.793 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.029 -0.358 0.470 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.190 -0.328 -0.879 1.00 0.00 H new ATOM 1148 N TYR A 75 -4.565 -4.836 -0.807 1.00 0.00 N ATOM 1149 CA TYR A 75 -4.336 -6.270 -0.877 1.00 0.00 C ATOM 1150 C TYR A 75 -3.969 -6.748 0.522 1.00 0.00 C ATOM 1151 O TYR A 75 -2.997 -6.280 1.118 1.00 0.00 O ATOM 1152 CB TYR A 75 -3.242 -6.600 -1.897 1.00 0.00 C ATOM 1153 CG TYR A 75 -3.735 -6.670 -3.331 1.00 0.00 C ATOM 1154 CD1 TYR A 75 -4.466 -7.785 -3.774 1.00 0.00 C ATOM 1155 CD2 TYR A 75 -3.462 -5.624 -4.225 1.00 0.00 C ATOM 1156 CE1 TYR A 75 -4.924 -7.859 -5.101 1.00 0.00 C ATOM 1157 CE2 TYR A 75 -3.910 -5.684 -5.558 1.00 0.00 C ATOM 1158 CZ TYR A 75 -4.659 -6.800 -5.996 1.00 0.00 C ATOM 1159 OH TYR A 75 -5.120 -6.847 -7.276 1.00 0.00 O ATOM 0 H TYR A 75 -3.783 -4.335 -0.385 1.00 0.00 H new ATOM 0 HA TYR A 75 -5.235 -6.785 -1.216 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.458 -5.846 -1.830 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -2.789 -7.556 -1.632 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -4.678 -8.593 -3.089 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -2.903 -4.764 -3.887 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -5.477 -8.724 -5.435 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.682 -4.881 -6.243 1.00 0.00 H new ATOM 0 HH TYR A 75 -4.847 -6.035 -7.752 1.00 0.00 H new ATOM 1169 N ASP A 76 -4.789 -7.644 1.057 1.00 0.00 N ATOM 1170 CA ASP A 76 -4.716 -8.149 2.423 1.00 0.00 C ATOM 1171 C ASP A 76 -3.334 -8.756 2.733 1.00 0.00 C ATOM 1172 O ASP A 76 -2.702 -9.348 1.855 1.00 0.00 O ATOM 1173 CB ASP A 76 -5.838 -9.173 2.568 1.00 0.00 C ATOM 1174 CG ASP A 76 -5.894 -9.697 3.989 1.00 0.00 C ATOM 1175 OD1 ASP A 76 -5.151 -10.662 4.243 1.00 0.00 O ATOM 1176 OD2 ASP A 76 -6.648 -9.148 4.820 1.00 0.00 O ATOM 0 H ASP A 76 -5.557 -8.057 0.528 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.841 -7.341 3.143 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.792 -8.717 2.304 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -5.677 -9.999 1.875 1.00 0.00 H new ATOM 1181 N GLY A 77 -2.818 -8.624 3.961 1.00 0.00 N ATOM 1182 CA GLY A 77 -1.474 -9.107 4.307 1.00 0.00 C ATOM 1183 C GLY A 77 -1.316 -10.630 4.267 1.00 0.00 C ATOM 1184 O GLY A 77 -0.192 -11.115 4.391 1.00 0.00 O ATOM 0 H GLY A 77 -3.314 -8.184 4.736 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.754 -8.662 3.621 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.221 -8.754 5.307 1.00 0.00 H new ATOM 1188 N GLU A 78 -2.394 -11.394 4.079 1.00 0.00 N ATOM 1189 CA GLU A 78 -2.318 -12.822 3.799 1.00 0.00 C ATOM 1190 C GLU A 78 -1.760 -13.080 2.386 1.00 0.00 C ATOM 1191 O GLU A 78 -1.232 -14.169 2.157 1.00 0.00 O ATOM 1192 CB GLU A 78 -3.707 -13.467 3.936 1.00 0.00 C ATOM 1193 CG GLU A 78 -4.378 -13.298 5.315 1.00 0.00 C ATOM 1194 CD GLU A 78 -4.306 -14.510 6.239 1.00 0.00 C ATOM 1195 OE1 GLU A 78 -3.195 -14.989 6.575 1.00 0.00 O ATOM 1196 OE2 GLU A 78 -5.366 -14.916 6.760 1.00 0.00 O ATOM 0 H GLU A 78 -3.347 -11.034 4.118 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.640 -13.271 4.525 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.363 -13.043 3.176 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.618 -14.532 3.721 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.917 -12.450 5.822 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.427 -13.044 5.160 1.00 0.00 H new ATOM 1203 N ILE A 79 -1.836 -12.121 1.437 1.00 0.00 N ATOM 1204 CA ILE A 79 -1.376 -12.366 0.070 1.00 0.00 C ATOM 1205 C ILE A 79 0.117 -12.721 0.044 1.00 0.00 C ATOM 1206 O ILE A 79 0.545 -13.487 -0.814 1.00 0.00 O ATOM 1207 CB ILE A 79 -1.769 -11.235 -0.931 1.00 0.00 C ATOM 1208 CG1 ILE A 79 -1.610 -11.836 -2.339 1.00 0.00 C ATOM 1209 CG2 ILE A 79 -0.990 -9.901 -0.850 1.00 0.00 C ATOM 1210 CD1 ILE A 79 -2.026 -10.963 -3.522 1.00 0.00 C ATOM 0 H ILE A 79 -2.208 -11.185 1.598 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.914 -13.241 -0.295 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.784 -10.936 -0.670 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.564 -12.110 -2.473 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -2.189 -12.759 -2.380 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.370 -9.211 -1.603 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.119 -9.464 0.140 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.069 -10.087 -1.030 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.862 -11.508 -4.452 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.082 -10.708 -3.432 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.431 -10.050 -3.527 1.00 0.00 H new ATOM 1222 N PHE A 80 0.905 -12.204 0.992 1.00 0.00 N ATOM 1223 CA PHE A 80 2.345 -12.378 1.065 1.00 0.00 C ATOM 1224 C PHE A 80 2.729 -13.855 1.013 1.00 0.00 C ATOM 1225 O PHE A 80 3.736 -14.221 0.409 1.00 0.00 O ATOM 1226 CB PHE A 80 2.886 -11.688 2.322 1.00 0.00 C ATOM 1227 CG PHE A 80 4.402 -11.636 2.332 1.00 0.00 C ATOM 1228 CD1 PHE A 80 5.144 -12.748 2.776 1.00 0.00 C ATOM 1229 CD2 PHE A 80 5.076 -10.512 1.817 1.00 0.00 C ATOM 1230 CE1 PHE A 80 6.547 -12.732 2.707 1.00 0.00 C ATOM 1231 CE2 PHE A 80 6.480 -10.487 1.773 1.00 0.00 C ATOM 1232 CZ PHE A 80 7.215 -11.597 2.219 1.00 0.00 C ATOM 0 H PHE A 80 0.537 -11.634 1.753 1.00 0.00 H new ATOM 0 HA PHE A 80 2.803 -11.908 0.195 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.488 -10.675 2.380 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.535 -12.219 3.207 1.00 0.00 H new ATOM 0 HD1 PHE A 80 4.633 -13.614 3.170 1.00 0.00 H new ATOM 0 HD2 PHE A 80 4.511 -9.666 1.454 1.00 0.00 H new ATOM 0 HE1 PHE A 80 7.113 -13.594 3.030 1.00 0.00 H new ATOM 0 HE2 PHE A 80 6.993 -9.615 1.396 1.00 0.00 H new ATOM 0 HZ PHE A 80 8.294 -11.578 2.187 1.00 0.00 H new ATOM 1242 N TYR A 81 1.915 -14.713 1.621 1.00 0.00 N ATOM 1243 CA TYR A 81 2.191 -16.130 1.755 1.00 0.00 C ATOM 1244 C TYR A 81 1.694 -16.920 0.536 1.00 0.00 C ATOM 1245 O TYR A 81 1.509 -18.133 0.647 1.00 0.00 O ATOM 1246 CB TYR A 81 1.600 -16.622 3.085 1.00 0.00 C ATOM 1247 CG TYR A 81 1.869 -15.675 4.244 1.00 0.00 C ATOM 1248 CD1 TYR A 81 3.164 -15.546 4.780 1.00 0.00 C ATOM 1249 CD2 TYR A 81 0.838 -14.839 4.708 1.00 0.00 C ATOM 1250 CE1 TYR A 81 3.428 -14.581 5.771 1.00 0.00 C ATOM 1251 CE2 TYR A 81 1.099 -13.861 5.681 1.00 0.00 C ATOM 1252 CZ TYR A 81 2.391 -13.739 6.228 1.00 0.00 C ATOM 1253 OH TYR A 81 2.636 -12.765 7.146 1.00 0.00 O ATOM 0 H TYR A 81 1.029 -14.432 2.041 1.00 0.00 H new ATOM 0 HA TYR A 81 3.267 -16.301 1.780 1.00 0.00 H new ATOM 0 HB2 TYR A 81 0.524 -16.751 2.972 1.00 0.00 H new ATOM 0 HB3 TYR A 81 2.016 -17.602 3.320 1.00 0.00 H new ATOM 0 HD1 TYR A 81 3.958 -16.189 4.430 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.161 -14.950 4.313 1.00 0.00 H new ATOM 0 HE1 TYR A 81 4.423 -14.485 6.181 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.309 -13.202 6.010 1.00 0.00 H new ATOM 0 HH TYR A 81 1.805 -12.283 7.342 1.00 0.00 H new ATOM 1263 N HIS A 82 1.485 -16.281 -0.621 1.00 0.00 N ATOM 1264 CA HIS A 82 0.896 -16.881 -1.814 1.00 0.00 C ATOM 1265 C HIS A 82 1.883 -16.895 -2.993 1.00 0.00 C ATOM 1266 O HIS A 82 1.535 -16.514 -4.110 1.00 0.00 O ATOM 1267 CB HIS A 82 -0.433 -16.176 -2.123 1.00 0.00 C ATOM 1268 CG HIS A 82 -1.396 -17.047 -2.885 1.00 0.00 C ATOM 1269 ND1 HIS A 82 -2.461 -17.721 -2.338 1.00 0.00 N ATOM 1270 CD2 HIS A 82 -1.418 -17.260 -4.235 1.00 0.00 C ATOM 1271 CE1 HIS A 82 -3.140 -18.301 -3.337 1.00 0.00 C ATOM 1272 NE2 HIS A 82 -2.547 -18.034 -4.515 1.00 0.00 N ATOM 0 H HIS A 82 1.731 -15.300 -0.752 1.00 0.00 H new ATOM 0 HA HIS A 82 0.676 -17.933 -1.630 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -0.897 -15.861 -1.188 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -0.234 -15.273 -2.700 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -0.697 -16.897 -4.952 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -4.033 -18.896 -3.215 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -2.862 -18.338 -5.436 1.00 0.00 H new ATOM 1280 N ARG A 83 3.112 -17.377 -2.765 1.00 0.00 N ATOM 1281 CA ARG A 83 4.208 -17.361 -3.738 1.00 0.00 C ATOM 1282 C ARG A 83 4.554 -15.916 -4.064 1.00 0.00 C ATOM 1283 O ARG A 83 4.895 -15.206 -3.094 1.00 0.00 O ATOM 1284 CB ARG A 83 3.892 -18.271 -4.949 1.00 0.00 C ATOM 1285 CG ARG A 83 5.125 -19.042 -5.432 1.00 0.00 C ATOM 1286 CD ARG A 83 6.139 -18.220 -6.238 1.00 0.00 C ATOM 1287 NE ARG A 83 7.343 -19.034 -6.468 1.00 0.00 N ATOM 1288 CZ ARG A 83 8.098 -19.140 -7.564 1.00 0.00 C ATOM 1289 NH1 ARG A 83 7.852 -18.455 -8.669 1.00 0.00 N ATOM 1290 NH2 ARG A 83 9.118 -19.985 -7.553 1.00 0.00 N ATOM 0 H ARG A 83 3.376 -17.799 -1.875 1.00 0.00 H new ATOM 0 HA ARG A 83 5.114 -17.800 -3.321 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.108 -18.977 -4.676 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.503 -17.663 -5.766 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.632 -19.464 -4.564 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.792 -19.880 -6.045 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.704 -17.914 -7.190 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.398 -17.309 -5.699 1.00 0.00 H new ATOM 0 HE ARG A 83 7.645 -19.600 -5.675 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.059 -17.815 -8.706 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.456 -18.567 -9.484 1.00 0.00 H new ATOM 0 HH21 ARG A 83 9.313 -20.538 -6.719 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.708 -20.083 -8.379 1.00 0.00 H new TER 1304 ARG A 83