USER MOD reduce.3.24.130724 H: found=0, std=0, add=1019, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1021 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 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 127 TYR OH : rot 45:sc= 1.25 USER MOD Set 2.1: A 55 HIS : no HE2:sc= -13.8! C(o=-14!,f=-18!) USER MOD Set 2.2: A 62 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 33 GLN : amide:sc= -2.06 K(o=-2.1,f=-2.8) USER MOD Set 3.2: A 37 GLN :FLIP amide:sc= 0 F(o=-3.2,f=-2.1) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 30:sc= 0.144 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -150:sc= -0.365 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 100:sc= -0.344 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 61:sc= 0.909 USER MOD Single : A 31 THR OG1 : rot -109:sc= 0.472 USER MOD Single : A 32 THR OG1 : rot -140:sc= -0.195 USER MOD Single : A 40 THR OG1 : rot -56:sc= -0.176 USER MOD Single : A 41 HIS : no HD1:sc= -0.424 K(o=-0.42,f=-0.94) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 145:sc=-0.00449 (180deg=-0.733) USER MOD Single : A 60 ASN : amide:sc= 0.374 K(o=0.37,f=-1.3) USER MOD Single : A 66 THR OG1 : rot 2:sc= 0.727 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS :FLIP no HD1:sc= -7.42! C(o=-12!,f=-7.4!) USER MOD Single : A 77 LYS NZ :NH3+ -167:sc= 0.0188 (180deg=0.00536) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HE2:sc= -1.11 X(o=-1.1,f=-1.3) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.876 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 165:sc=-0.00588 (180deg=-0.0912) USER MOD Single : A 99 ASN : amide:sc= 0.506 K(o=0.51,f=0) USER MOD Single : A 102 THR OG1 : rot 97:sc= 0.0411 USER MOD Single : A 105 CYS SG : rot 180:sc= -0.13 USER MOD Single : A 106 MET CE :methyl -147:sc= -3.87! (180deg=-5.59!) USER MOD Single : A 119 THR OG1 : rot 76:sc= 0.464 USER MOD Single : A 121 GLN : amide:sc= -3.05! C(o=-3!,f=-4.5!) USER MOD Single : A 124 GLN : amide:sc= -5.97! C(o=-6!,f=-14!) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= -0.0217 (180deg=-0.0217) USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 134 THR OG1 : rot 110:sc= -1.03 USER MOD Single : A 137 TYR OH : rot 168:sc= -1.05 USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 19.833 -0.071 6.082 1.00 0.00 N ATOM 67 CA ILE A 8 18.746 -1.009 6.332 1.00 0.00 C ATOM 68 C ILE A 8 18.264 -1.651 5.035 1.00 0.00 C ATOM 69 O ILE A 8 18.114 -0.993 4.006 1.00 0.00 O ATOM 70 CB ILE A 8 17.554 -0.320 7.023 1.00 0.00 C ATOM 71 CG1 ILE A 8 17.683 -0.434 8.543 1.00 0.00 C ATOM 72 CG2 ILE A 8 16.243 -0.928 6.549 1.00 0.00 C ATOM 73 CD1 ILE A 8 16.357 -0.369 9.268 1.00 0.00 C ATOM 0 HA ILE A 8 19.142 -1.781 6.992 1.00 0.00 H new ATOM 0 HB ILE A 8 17.558 0.737 6.755 1.00 0.00 H new ATOM 0 HG12 ILE A 8 18.176 -1.375 8.788 1.00 0.00 H new ATOM 0 HG13 ILE A 8 18.326 0.368 8.906 1.00 0.00 H new ATOM 0 HG21 ILE A 8 15.410 -0.431 7.046 1.00 0.00 H new ATOM 0 HG22 ILE A 8 16.151 -0.799 5.471 1.00 0.00 H new ATOM 0 HG23 ILE A 8 16.227 -1.991 6.790 1.00 0.00 H new ATOM 0 HD11 ILE A 8 16.525 -0.456 10.342 1.00 0.00 H new ATOM 0 HD12 ILE A 8 15.871 0.583 9.053 1.00 0.00 H new ATOM 0 HD13 ILE A 8 15.719 -1.187 8.933 1.00 0.00 H new ATOM 85 N PRO A 9 18.015 -2.968 5.084 1.00 0.00 N ATOM 86 CA PRO A 9 17.544 -3.728 3.922 1.00 0.00 C ATOM 87 C PRO A 9 16.053 -3.535 3.668 1.00 0.00 C ATOM 88 O PRO A 9 15.277 -3.315 4.599 1.00 0.00 O ATOM 89 CB PRO A 9 17.838 -5.181 4.306 1.00 0.00 C ATOM 90 CG PRO A 9 17.801 -5.194 5.795 1.00 0.00 C ATOM 91 CD PRO A 9 18.172 -3.817 6.277 1.00 0.00 C ATOM 0 HA PRO A 9 18.032 -3.409 3.001 1.00 0.00 H new ATOM 0 HB2 PRO A 9 17.096 -5.860 3.886 1.00 0.00 H new ATOM 0 HB3 PRO A 9 18.810 -5.501 3.931 1.00 0.00 H new ATOM 0 HG2 PRO A 9 16.808 -5.468 6.150 1.00 0.00 H new ATOM 0 HG3 PRO A 9 18.496 -5.936 6.188 1.00 0.00 H new ATOM 0 HD2 PRO A 9 17.522 -3.489 7.088 1.00 0.00 H new ATOM 0 HD3 PRO A 9 19.194 -3.788 6.656 1.00 0.00 H new ATOM 99 N THR A 10 15.657 -3.619 2.402 1.00 0.00 N ATOM 100 CA THR A 10 14.259 -3.453 2.026 1.00 0.00 C ATOM 101 C THR A 10 13.870 -4.421 0.914 1.00 0.00 C ATOM 102 O THR A 10 14.702 -5.186 0.425 1.00 0.00 O ATOM 103 CB THR A 10 13.969 -2.013 1.562 1.00 0.00 C ATOM 104 OG1 THR A 10 14.793 -1.686 0.437 1.00 0.00 O ATOM 105 CG2 THR A 10 14.221 -1.021 2.687 1.00 0.00 C ATOM 0 H THR A 10 16.285 -3.801 1.619 1.00 0.00 H new ATOM 0 HA THR A 10 13.665 -3.667 2.915 1.00 0.00 H new ATOM 0 HB THR A 10 12.920 -1.952 1.274 1.00 0.00 H new ATOM 0 HG1 THR A 10 14.602 -0.770 0.147 1.00 0.00 H new ATOM 0 HG21 THR A 10 14.010 -0.011 2.336 1.00 0.00 H new ATOM 0 HG22 THR A 10 13.572 -1.255 3.531 1.00 0.00 H new ATOM 0 HG23 THR A 10 15.263 -1.085 3.002 1.00 0.00 H new ATOM 113 N CYS A 11 12.602 -4.383 0.520 1.00 0.00 N ATOM 114 CA CYS A 11 12.102 -5.258 -0.535 1.00 0.00 C ATOM 115 C CYS A 11 10.910 -4.626 -1.246 1.00 0.00 C ATOM 116 O CYS A 11 10.511 -3.504 -0.935 1.00 0.00 O ATOM 117 CB CYS A 11 11.705 -6.616 0.046 1.00 0.00 C ATOM 118 SG CYS A 11 13.042 -7.832 0.063 1.00 0.00 S ATOM 0 H CYS A 11 11.901 -3.756 0.915 1.00 0.00 H new ATOM 0 HA CYS A 11 12.900 -5.402 -1.263 1.00 0.00 H new ATOM 0 HB2 CYS A 11 11.347 -6.472 1.065 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.872 -7.016 -0.531 1.00 0.00 H new ATOM 0 HG CYS A 11 14.183 -7.221 0.189 1.00 0.00 H new ATOM 124 N LYS A 12 10.346 -5.354 -2.204 1.00 0.00 N ATOM 125 CA LYS A 12 9.200 -4.866 -2.961 1.00 0.00 C ATOM 126 C LYS A 12 7.912 -5.531 -2.487 1.00 0.00 C ATOM 127 O LYS A 12 7.923 -6.679 -2.041 1.00 0.00 O ATOM 128 CB LYS A 12 9.401 -5.127 -4.456 1.00 0.00 C ATOM 129 CG LYS A 12 8.131 -4.980 -5.276 1.00 0.00 C ATOM 130 CD LYS A 12 8.437 -4.822 -6.756 1.00 0.00 C ATOM 131 CE LYS A 12 8.373 -6.157 -7.483 1.00 0.00 C ATOM 132 NZ LYS A 12 8.288 -5.980 -8.959 1.00 0.00 N ATOM 0 H LYS A 12 10.664 -6.285 -2.474 1.00 0.00 H new ATOM 0 HA LYS A 12 9.117 -3.792 -2.794 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.152 -4.436 -4.839 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.796 -6.134 -4.590 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.497 -5.854 -5.126 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.569 -4.114 -4.925 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.726 -4.128 -7.204 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.428 -4.386 -6.879 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.256 -6.747 -7.238 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.507 -6.720 -7.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.246 -6.912 -9.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.432 -5.439 -9.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.127 -5.465 -9.296 1.00 0.00 H new ATOM 146 N ILE A 13 6.804 -4.805 -2.589 1.00 0.00 N ATOM 147 CA ILE A 13 5.508 -5.326 -2.172 1.00 0.00 C ATOM 148 C ILE A 13 4.451 -5.094 -3.246 1.00 0.00 C ATOM 149 O ILE A 13 3.805 -4.046 -3.282 1.00 0.00 O ATOM 150 CB ILE A 13 5.037 -4.679 -0.856 1.00 0.00 C ATOM 151 CG1 ILE A 13 6.040 -4.963 0.264 1.00 0.00 C ATOM 152 CG2 ILE A 13 3.655 -5.191 -0.480 1.00 0.00 C ATOM 153 CD1 ILE A 13 6.059 -6.410 0.706 1.00 0.00 C ATOM 0 H ILE A 13 6.778 -3.854 -2.957 1.00 0.00 H new ATOM 0 HA ILE A 13 5.635 -6.397 -2.015 1.00 0.00 H new ATOM 0 HB ILE A 13 4.977 -3.600 -0.999 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.038 -4.681 -0.073 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.803 -4.333 1.121 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.335 -4.725 0.452 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.947 -4.943 -1.271 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.690 -6.273 -0.351 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.793 -6.538 1.502 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.072 -6.691 1.074 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.326 -7.045 -0.139 1.00 0.00 H new ATOM 165 N THR A 14 4.278 -6.079 -4.122 1.00 0.00 N ATOM 166 CA THR A 14 3.299 -5.983 -5.197 1.00 0.00 C ATOM 167 C THR A 14 2.051 -6.799 -4.879 1.00 0.00 C ATOM 168 O THR A 14 2.103 -8.028 -4.800 1.00 0.00 O ATOM 169 CB THR A 14 3.886 -6.466 -6.537 1.00 0.00 C ATOM 170 OG1 THR A 14 5.272 -6.114 -6.619 1.00 0.00 O ATOM 171 CG2 THR A 14 3.133 -5.857 -7.709 1.00 0.00 C ATOM 0 H THR A 14 4.804 -6.953 -4.108 1.00 0.00 H new ATOM 0 HA THR A 14 3.029 -4.931 -5.285 1.00 0.00 H new ATOM 0 HB THR A 14 3.783 -7.550 -6.584 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.518 -5.971 -7.557 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.566 -6.213 -8.644 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.084 -6.150 -7.660 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.208 -4.771 -7.665 1.00 0.00 H new ATOM 179 N LEU A 15 0.930 -6.111 -4.698 1.00 0.00 N ATOM 180 CA LEU A 15 -0.333 -6.772 -4.389 1.00 0.00 C ATOM 181 C LEU A 15 -1.383 -6.464 -5.451 1.00 0.00 C ATOM 182 O LEU A 15 -1.677 -5.302 -5.731 1.00 0.00 O ATOM 183 CB LEU A 15 -0.838 -6.333 -3.014 1.00 0.00 C ATOM 184 CG LEU A 15 0.185 -6.372 -1.878 1.00 0.00 C ATOM 185 CD1 LEU A 15 -0.162 -5.346 -0.811 1.00 0.00 C ATOM 186 CD2 LEU A 15 0.260 -7.767 -1.275 1.00 0.00 C ATOM 0 H LEU A 15 0.869 -5.095 -4.760 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.158 -7.848 -4.379 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.220 -5.315 -3.097 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.680 -6.968 -2.739 1.00 0.00 H new ATOM 0 HG LEU A 15 1.164 -6.122 -2.288 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.577 -5.389 -0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.163 -4.349 -1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.150 -5.564 -0.404 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.993 -7.776 -0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.717 -8.046 -0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.558 -8.480 -2.044 1.00 0.00 H new ATOM 198 N LYS A 16 -1.948 -7.513 -6.040 1.00 0.00 N ATOM 199 CA LYS A 16 -2.969 -7.357 -7.069 1.00 0.00 C ATOM 200 C LYS A 16 -4.287 -7.984 -6.628 1.00 0.00 C ATOM 201 O LYS A 16 -4.448 -9.203 -6.668 1.00 0.00 O ATOM 202 CB LYS A 16 -2.502 -7.993 -8.380 1.00 0.00 C ATOM 203 CG LYS A 16 -1.530 -7.129 -9.164 1.00 0.00 C ATOM 204 CD LYS A 16 -0.105 -7.295 -8.661 1.00 0.00 C ATOM 205 CE LYS A 16 0.481 -8.634 -9.083 1.00 0.00 C ATOM 206 NZ LYS A 16 1.106 -8.566 -10.432 1.00 0.00 N ATOM 0 H LYS A 16 -1.715 -8.482 -5.822 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.130 -6.291 -7.227 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.029 -8.950 -8.161 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.372 -8.202 -9.002 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.577 -7.394 -10.220 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.826 -6.083 -9.084 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.515 -6.487 -9.048 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.090 -7.216 -7.574 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.226 -8.950 -8.353 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.304 -9.390 -9.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.493 -9.498 -10.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.389 -8.289 -11.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.873 -7.863 -10.424 1.00 0.00 H new ATOM 220 N GLU A 17 -5.227 -7.142 -6.208 1.00 0.00 N ATOM 221 CA GLU A 17 -6.531 -7.616 -5.761 1.00 0.00 C ATOM 222 C GLU A 17 -7.654 -6.930 -6.534 1.00 0.00 C ATOM 223 O GLU A 17 -7.571 -5.743 -6.850 1.00 0.00 O ATOM 224 CB GLU A 17 -6.703 -7.365 -4.261 1.00 0.00 C ATOM 225 CG GLU A 17 -7.612 -8.371 -3.575 1.00 0.00 C ATOM 226 CD GLU A 17 -6.916 -9.689 -3.295 1.00 0.00 C ATOM 227 OE1 GLU A 17 -6.149 -9.759 -2.313 1.00 0.00 O ATOM 228 OE2 GLU A 17 -7.141 -10.652 -4.059 1.00 0.00 O ATOM 0 H GLU A 17 -5.109 -6.130 -6.168 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.584 -8.688 -5.952 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.724 -7.388 -3.783 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.107 -6.363 -4.113 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.973 -7.949 -2.637 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.486 -8.552 -4.201 1.00 0.00 H new ATOM 235 N THR A 18 -8.704 -7.687 -6.837 1.00 0.00 N ATOM 236 CA THR A 18 -9.843 -7.155 -7.574 1.00 0.00 C ATOM 237 C THR A 18 -10.963 -6.736 -6.629 1.00 0.00 C ATOM 238 O THR A 18 -11.194 -7.376 -5.603 1.00 0.00 O ATOM 239 CB THR A 18 -10.392 -8.185 -8.579 1.00 0.00 C ATOM 240 OG1 THR A 18 -9.312 -8.812 -9.278 1.00 0.00 O ATOM 241 CG2 THR A 18 -11.330 -7.520 -9.576 1.00 0.00 C ATOM 0 H THR A 18 -8.789 -8.671 -6.583 1.00 0.00 H new ATOM 0 HA THR A 18 -9.486 -6.281 -8.119 1.00 0.00 H new ATOM 0 HB THR A 18 -10.951 -8.939 -8.024 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.670 -9.467 -9.914 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.706 -8.266 -10.276 1.00 0.00 H new ATOM 0 HG22 THR A 18 -12.167 -7.069 -9.043 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.790 -6.748 -10.124 1.00 0.00 H new ATOM 249 N PHE A 19 -11.657 -5.659 -6.981 1.00 0.00 N ATOM 250 CA PHE A 19 -12.754 -5.155 -6.162 1.00 0.00 C ATOM 251 C PHE A 19 -14.068 -5.183 -6.938 1.00 0.00 C ATOM 252 O PHE A 19 -14.100 -4.907 -8.138 1.00 0.00 O ATOM 253 CB PHE A 19 -12.455 -3.729 -5.694 1.00 0.00 C ATOM 254 CG PHE A 19 -11.330 -3.647 -4.703 1.00 0.00 C ATOM 255 CD1 PHE A 19 -10.013 -3.769 -5.118 1.00 0.00 C ATOM 256 CD2 PHE A 19 -11.588 -3.448 -3.357 1.00 0.00 C ATOM 257 CE1 PHE A 19 -8.976 -3.694 -4.208 1.00 0.00 C ATOM 258 CE2 PHE A 19 -10.554 -3.372 -2.442 1.00 0.00 C ATOM 259 CZ PHE A 19 -9.246 -3.494 -2.869 1.00 0.00 C ATOM 0 H PHE A 19 -11.480 -5.118 -7.828 1.00 0.00 H new ATOM 0 HA PHE A 19 -12.853 -5.803 -5.291 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -12.211 -3.114 -6.561 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -13.354 -3.306 -5.246 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.795 -3.924 -6.164 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.609 -3.351 -3.018 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.954 -3.792 -4.544 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.769 -3.217 -1.395 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.436 -3.433 -2.157 1.00 0.00 H new ATOM 269 N LEU A 20 -15.149 -5.519 -6.244 1.00 0.00 N ATOM 270 CA LEU A 20 -16.468 -5.584 -6.866 1.00 0.00 C ATOM 271 C LEU A 20 -17.087 -4.195 -6.976 1.00 0.00 C ATOM 272 O LEU A 20 -18.289 -4.020 -6.771 1.00 0.00 O ATOM 273 CB LEU A 20 -17.388 -6.503 -6.061 1.00 0.00 C ATOM 274 CG LEU A 20 -17.129 -8.003 -6.201 1.00 0.00 C ATOM 275 CD1 LEU A 20 -17.501 -8.481 -7.596 1.00 0.00 C ATOM 276 CD2 LEU A 20 -15.672 -8.324 -5.897 1.00 0.00 C ATOM 0 H LEU A 20 -15.139 -5.751 -5.251 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.349 -5.989 -7.871 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.303 -6.237 -5.007 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -18.418 -6.303 -6.358 1.00 0.00 H new ATOM 0 HG LEU A 20 -17.755 -8.529 -5.480 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.310 -9.551 -7.677 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -18.558 -8.286 -7.777 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -16.902 -7.949 -8.335 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -15.506 -9.396 -6.002 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -15.028 -7.788 -6.594 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.437 -8.018 -4.877 1.00 0.00 H new ATOM 288 N THR A 21 -16.259 -3.208 -7.304 1.00 0.00 N ATOM 289 CA THR A 21 -16.725 -1.834 -7.443 1.00 0.00 C ATOM 290 C THR A 21 -15.977 -1.110 -8.557 1.00 0.00 C ATOM 291 O THR A 21 -14.925 -1.562 -9.007 1.00 0.00 O ATOM 292 CB THR A 21 -16.555 -1.047 -6.130 1.00 0.00 C ATOM 293 OG1 THR A 21 -17.349 0.144 -6.165 1.00 0.00 O ATOM 294 CG2 THR A 21 -15.095 -0.683 -5.903 1.00 0.00 C ATOM 0 H THR A 21 -15.262 -3.335 -7.478 1.00 0.00 H new ATOM 0 HA THR A 21 -17.785 -1.884 -7.693 1.00 0.00 H new ATOM 0 HB THR A 21 -16.888 -1.680 -5.307 1.00 0.00 H new ATOM 0 HG1 THR A 21 -18.179 -0.001 -5.664 1.00 0.00 H new ATOM 0 HG21 THR A 21 -14.999 -0.128 -4.970 1.00 0.00 H new ATOM 0 HG22 THR A 21 -14.498 -1.593 -5.847 1.00 0.00 H new ATOM 0 HG23 THR A 21 -14.741 -0.067 -6.730 1.00 0.00 H new ATOM 302 N SER A 22 -16.527 0.018 -8.996 1.00 0.00 N ATOM 303 CA SER A 22 -15.912 0.804 -10.060 1.00 0.00 C ATOM 304 C SER A 22 -14.732 1.611 -9.527 1.00 0.00 C ATOM 305 O SER A 22 -14.668 1.960 -8.348 1.00 0.00 O ATOM 306 CB SER A 22 -16.944 1.742 -10.690 1.00 0.00 C ATOM 307 OG SER A 22 -17.967 1.011 -11.342 1.00 0.00 O ATOM 0 H SER A 22 -17.396 0.408 -8.632 1.00 0.00 H new ATOM 0 HA SER A 22 -15.544 0.116 -10.821 1.00 0.00 H new ATOM 0 HB2 SER A 22 -17.381 2.377 -9.919 1.00 0.00 H new ATOM 0 HB3 SER A 22 -16.452 2.401 -11.405 1.00 0.00 H new ATOM 0 HG SER A 22 -18.614 1.633 -11.735 1.00 0.00 H new ATOM 313 N PRO A 23 -13.775 1.915 -10.416 1.00 0.00 N ATOM 314 CA PRO A 23 -12.579 2.684 -10.060 1.00 0.00 C ATOM 315 C PRO A 23 -12.915 3.941 -9.264 1.00 0.00 C ATOM 316 O PRO A 23 -12.410 4.141 -8.160 1.00 0.00 O ATOM 317 CB PRO A 23 -11.978 3.055 -11.418 1.00 0.00 C ATOM 318 CG PRO A 23 -12.455 1.992 -12.346 1.00 0.00 C ATOM 319 CD PRO A 23 -13.786 1.531 -11.838 1.00 0.00 C ATOM 0 HA PRO A 23 -11.903 2.115 -9.421 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.310 4.041 -11.742 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.889 3.083 -11.375 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.543 2.378 -13.362 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.747 1.164 -12.380 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -14.606 2.009 -12.375 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -13.909 0.455 -11.960 1.00 0.00 H new ATOM 327 N GLU A 24 -13.770 4.786 -9.833 1.00 0.00 N ATOM 328 CA GLU A 24 -14.171 6.024 -9.176 1.00 0.00 C ATOM 329 C GLU A 24 -14.514 5.775 -7.710 1.00 0.00 C ATOM 330 O GLU A 24 -14.144 6.556 -6.835 1.00 0.00 O ATOM 331 CB GLU A 24 -15.373 6.642 -9.894 1.00 0.00 C ATOM 332 CG GLU A 24 -16.290 7.432 -8.976 1.00 0.00 C ATOM 333 CD GLU A 24 -17.013 8.553 -9.698 1.00 0.00 C ATOM 334 OE1 GLU A 24 -17.650 8.277 -10.736 1.00 0.00 O ATOM 335 OE2 GLU A 24 -16.942 9.706 -9.224 1.00 0.00 O ATOM 0 H GLU A 24 -14.198 4.635 -10.747 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.332 6.718 -9.223 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -15.014 7.298 -10.687 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -15.947 5.848 -10.372 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -17.023 6.758 -8.533 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.705 7.850 -8.157 1.00 0.00 H new ATOM 342 N GLU A 25 -15.225 4.681 -7.452 1.00 0.00 N ATOM 343 CA GLU A 25 -15.619 4.331 -6.093 1.00 0.00 C ATOM 344 C GLU A 25 -14.395 4.157 -5.199 1.00 0.00 C ATOM 345 O GLU A 25 -14.142 4.968 -4.307 1.00 0.00 O ATOM 346 CB GLU A 25 -16.450 3.046 -6.094 1.00 0.00 C ATOM 347 CG GLU A 25 -17.427 2.951 -4.934 1.00 0.00 C ATOM 348 CD GLU A 25 -18.185 4.244 -4.703 1.00 0.00 C ATOM 349 OE1 GLU A 25 -18.586 4.883 -5.698 1.00 0.00 O ATOM 350 OE2 GLU A 25 -18.378 4.615 -3.526 1.00 0.00 O ATOM 0 H GLU A 25 -15.539 4.023 -8.166 1.00 0.00 H new ATOM 0 HA GLU A 25 -16.224 5.146 -5.696 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -17.004 2.983 -7.031 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -15.778 2.189 -6.063 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -18.137 2.147 -5.127 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -16.884 2.685 -4.027 1.00 0.00 H new ATOM 357 N LEU A 26 -13.638 3.093 -5.443 1.00 0.00 N ATOM 358 CA LEU A 26 -12.439 2.810 -4.661 1.00 0.00 C ATOM 359 C LEU A 26 -11.465 3.983 -4.715 1.00 0.00 C ATOM 360 O LEU A 26 -10.603 4.126 -3.848 1.00 0.00 O ATOM 361 CB LEU A 26 -11.757 1.542 -5.176 1.00 0.00 C ATOM 362 CG LEU A 26 -10.769 0.875 -4.219 1.00 0.00 C ATOM 363 CD1 LEU A 26 -11.493 0.338 -2.994 1.00 0.00 C ATOM 364 CD2 LEU A 26 -10.013 -0.241 -4.925 1.00 0.00 C ATOM 0 H LEU A 26 -13.833 2.412 -6.176 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.739 2.658 -3.624 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.529 0.817 -5.432 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.230 1.786 -6.098 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.048 1.624 -3.891 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.774 -0.133 -2.324 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.988 1.159 -2.475 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.236 -0.397 -3.304 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.314 -0.704 -4.228 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.720 -0.990 -5.282 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.463 0.171 -5.771 1.00 0.00 H new ATOM 376 N TYR A 27 -11.611 4.819 -5.736 1.00 0.00 N ATOM 377 CA TYR A 27 -10.744 5.980 -5.903 1.00 0.00 C ATOM 378 C TYR A 27 -10.915 6.959 -4.746 1.00 0.00 C ATOM 379 O TYR A 27 -10.052 7.801 -4.497 1.00 0.00 O ATOM 380 CB TYR A 27 -11.045 6.681 -7.228 1.00 0.00 C ATOM 381 CG TYR A 27 -10.071 7.788 -7.563 1.00 0.00 C ATOM 382 CD1 TYR A 27 -8.705 7.618 -7.374 1.00 0.00 C ATOM 383 CD2 TYR A 27 -10.516 9.004 -8.066 1.00 0.00 C ATOM 384 CE1 TYR A 27 -7.810 8.627 -7.677 1.00 0.00 C ATOM 385 CE2 TYR A 27 -9.629 10.017 -8.374 1.00 0.00 C ATOM 386 CZ TYR A 27 -8.277 9.824 -8.177 1.00 0.00 C ATOM 387 OH TYR A 27 -7.391 10.832 -8.481 1.00 0.00 O ATOM 0 H TYR A 27 -12.321 4.715 -6.461 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.711 5.632 -5.910 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.033 5.943 -8.030 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.053 7.095 -7.190 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.336 6.681 -6.984 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.574 9.160 -8.219 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.751 8.479 -7.523 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.992 10.955 -8.767 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.772 10.525 -9.176 1.00 0.00 H new ATOM 397 N ARG A 28 -12.035 6.841 -4.040 1.00 0.00 N ATOM 398 CA ARG A 28 -12.322 7.715 -2.909 1.00 0.00 C ATOM 399 C ARG A 28 -11.855 7.083 -1.602 1.00 0.00 C ATOM 400 O ARG A 28 -11.143 7.708 -0.817 1.00 0.00 O ATOM 401 CB ARG A 28 -13.820 8.016 -2.837 1.00 0.00 C ATOM 402 CG ARG A 28 -14.467 8.222 -4.197 1.00 0.00 C ATOM 403 CD ARG A 28 -15.919 7.771 -4.197 1.00 0.00 C ATOM 404 NE ARG A 28 -16.823 8.836 -3.771 1.00 0.00 N ATOM 405 CZ ARG A 28 -17.146 9.875 -4.534 1.00 0.00 C ATOM 406 NH1 ARG A 28 -16.642 9.986 -5.755 1.00 0.00 N ATOM 407 NH2 ARG A 28 -17.975 10.804 -4.076 1.00 0.00 N ATOM 0 H ARG A 28 -12.759 6.148 -4.232 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.778 8.648 -3.056 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.323 7.195 -2.326 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.974 8.910 -2.232 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -14.412 9.275 -4.471 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -13.912 7.666 -4.953 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -16.196 7.440 -5.198 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -16.032 6.913 -3.534 1.00 0.00 H new ATOM 0 HE ARG A 28 -17.229 8.779 -2.837 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -16.005 9.273 -6.111 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -16.891 10.784 -6.339 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -18.365 10.721 -3.137 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -18.222 11.601 -4.663 1.00 0.00 H new ATOM 421 N VAL A 29 -12.262 5.838 -1.374 1.00 0.00 N ATOM 422 CA VAL A 29 -11.886 5.120 -0.162 1.00 0.00 C ATOM 423 C VAL A 29 -10.401 5.291 0.139 1.00 0.00 C ATOM 424 O VAL A 29 -9.963 5.117 1.277 1.00 0.00 O ATOM 425 CB VAL A 29 -12.205 3.618 -0.277 1.00 0.00 C ATOM 426 CG1 VAL A 29 -11.966 2.917 1.052 1.00 0.00 C ATOM 427 CG2 VAL A 29 -13.637 3.412 -0.747 1.00 0.00 C ATOM 0 H VAL A 29 -12.852 5.306 -2.013 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.471 5.546 0.653 1.00 0.00 H new ATOM 0 HB VAL A 29 -11.537 3.179 -1.017 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.197 1.857 0.951 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.922 3.035 1.343 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.607 3.357 1.816 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.845 2.345 -0.823 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -14.323 3.866 -0.032 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.770 3.878 -1.723 1.00 0.00 H new ATOM 437 N PHE A 30 -9.631 5.635 -0.887 1.00 0.00 N ATOM 438 CA PHE A 30 -8.194 5.830 -0.733 1.00 0.00 C ATOM 439 C PHE A 30 -7.846 7.315 -0.705 1.00 0.00 C ATOM 440 O PHE A 30 -6.804 7.712 -0.182 1.00 0.00 O ATOM 441 CB PHE A 30 -7.439 5.139 -1.871 1.00 0.00 C ATOM 442 CG PHE A 30 -7.273 3.660 -1.669 1.00 0.00 C ATOM 443 CD1 PHE A 30 -8.304 2.786 -1.975 1.00 0.00 C ATOM 444 CD2 PHE A 30 -6.087 3.143 -1.173 1.00 0.00 C ATOM 445 CE1 PHE A 30 -8.155 1.424 -1.791 1.00 0.00 C ATOM 446 CE2 PHE A 30 -5.932 1.782 -0.987 1.00 0.00 C ATOM 447 CZ PHE A 30 -6.968 0.922 -1.295 1.00 0.00 C ATOM 0 H PHE A 30 -9.978 5.785 -1.835 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.892 5.387 0.216 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.970 5.312 -2.807 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.455 5.596 -1.974 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.235 3.174 -2.362 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.274 3.811 -0.929 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -8.966 0.753 -2.035 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.002 1.392 -0.601 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.850 -0.141 -1.148 1.00 0.00 H new ATOM 457 N THR A 31 -8.727 8.134 -1.273 1.00 0.00 N ATOM 458 CA THR A 31 -8.514 9.575 -1.316 1.00 0.00 C ATOM 459 C THR A 31 -9.564 10.311 -0.492 1.00 0.00 C ATOM 460 O THR A 31 -9.833 11.491 -0.720 1.00 0.00 O ATOM 461 CB THR A 31 -8.547 10.105 -2.762 1.00 0.00 C ATOM 462 OG1 THR A 31 -9.856 9.933 -3.316 1.00 0.00 O ATOM 463 CG2 THR A 31 -7.525 9.383 -3.627 1.00 0.00 C ATOM 0 H THR A 31 -9.595 7.823 -1.710 1.00 0.00 H new ATOM 0 HA THR A 31 -7.528 9.761 -0.891 1.00 0.00 H new ATOM 0 HB THR A 31 -8.297 11.166 -2.743 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.833 9.228 -3.996 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.567 9.774 -4.643 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.527 9.540 -3.219 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.748 8.316 -3.640 1.00 0.00 H new ATOM 471 N THR A 32 -10.157 9.607 0.468 1.00 0.00 N ATOM 472 CA THR A 32 -11.179 10.193 1.326 1.00 0.00 C ATOM 473 C THR A 32 -11.008 9.741 2.772 1.00 0.00 C ATOM 474 O THR A 32 -11.325 8.603 3.116 1.00 0.00 O ATOM 475 CB THR A 32 -12.595 9.822 0.847 1.00 0.00 C ATOM 476 OG1 THR A 32 -12.737 10.128 -0.545 1.00 0.00 O ATOM 477 CG2 THR A 32 -13.650 10.570 1.647 1.00 0.00 C ATOM 0 H THR A 32 -9.946 8.630 0.670 1.00 0.00 H new ATOM 0 HA THR A 32 -11.057 11.275 1.270 1.00 0.00 H new ATOM 0 HB THR A 32 -12.738 8.752 0.999 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.627 10.505 -0.708 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.642 10.292 1.291 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.558 10.312 2.702 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.508 11.643 1.523 1.00 0.00 H new ATOM 485 N GLN A 33 -10.507 10.640 3.613 1.00 0.00 N ATOM 486 CA GLN A 33 -10.296 10.332 5.022 1.00 0.00 C ATOM 487 C GLN A 33 -11.484 9.568 5.597 1.00 0.00 C ATOM 488 O GLN A 33 -11.346 8.428 6.037 1.00 0.00 O ATOM 489 CB GLN A 33 -10.068 11.618 5.818 1.00 0.00 C ATOM 490 CG GLN A 33 -9.935 11.391 7.315 1.00 0.00 C ATOM 491 CD GLN A 33 -9.615 12.665 8.072 1.00 0.00 C ATOM 492 OE1 GLN A 33 -9.295 13.693 7.474 1.00 0.00 O ATOM 493 NE2 GLN A 33 -9.699 12.604 9.396 1.00 0.00 N ATOM 0 H GLN A 33 -10.240 11.587 3.343 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.410 9.702 5.101 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.166 12.107 5.451 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.898 12.301 5.635 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.864 10.968 7.699 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.151 10.657 7.499 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.968 11.731 9.850 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.495 13.430 9.959 1.00 0.00 H new ATOM 502 N GLU A 34 -12.651 10.206 5.590 1.00 0.00 N ATOM 503 CA GLU A 34 -13.863 9.586 6.112 1.00 0.00 C ATOM 504 C GLU A 34 -13.934 8.113 5.716 1.00 0.00 C ATOM 505 O GLU A 34 -13.882 7.226 6.569 1.00 0.00 O ATOM 506 CB GLU A 34 -15.101 10.323 5.599 1.00 0.00 C ATOM 507 CG GLU A 34 -16.411 9.663 5.996 1.00 0.00 C ATOM 508 CD GLU A 34 -17.596 10.206 5.222 1.00 0.00 C ATOM 509 OE1 GLU A 34 -18.146 11.249 5.633 1.00 0.00 O ATOM 510 OE2 GLU A 34 -17.974 9.587 4.205 1.00 0.00 O ATOM 0 H GLU A 34 -12.782 11.151 5.229 1.00 0.00 H new ATOM 0 HA GLU A 34 -13.835 9.652 7.200 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.089 11.344 5.979 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -15.051 10.387 4.512 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -16.336 8.588 5.832 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -16.580 9.811 7.063 1.00 0.00 H new ATOM 517 N LEU A 35 -14.055 7.861 4.418 1.00 0.00 N ATOM 518 CA LEU A 35 -14.134 6.497 3.908 1.00 0.00 C ATOM 519 C LEU A 35 -13.083 5.608 4.564 1.00 0.00 C ATOM 520 O LEU A 35 -13.355 4.458 4.911 1.00 0.00 O ATOM 521 CB LEU A 35 -13.950 6.487 2.389 1.00 0.00 C ATOM 522 CG LEU A 35 -14.914 7.365 1.591 1.00 0.00 C ATOM 523 CD1 LEU A 35 -14.763 7.105 0.100 1.00 0.00 C ATOM 524 CD2 LEU A 35 -16.349 7.121 2.034 1.00 0.00 C ATOM 0 H LEU A 35 -14.101 8.583 3.699 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.120 6.102 4.151 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.931 6.803 2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -14.050 5.460 2.038 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.668 8.409 1.784 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -15.457 7.739 -0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.742 7.331 -0.207 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -14.982 6.058 -0.111 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -17.021 7.754 1.455 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -16.607 6.074 1.872 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.448 7.359 3.093 1.00 0.00 H new ATOM 536 N VAL A 36 -11.881 6.149 4.735 1.00 0.00 N ATOM 537 CA VAL A 36 -10.789 5.406 5.353 1.00 0.00 C ATOM 538 C VAL A 36 -11.129 5.023 6.789 1.00 0.00 C ATOM 539 O VAL A 36 -10.936 3.878 7.198 1.00 0.00 O ATOM 540 CB VAL A 36 -9.482 6.221 5.347 1.00 0.00 C ATOM 541 CG1 VAL A 36 -8.318 5.367 5.827 1.00 0.00 C ATOM 542 CG2 VAL A 36 -9.208 6.777 3.958 1.00 0.00 C ATOM 0 H VAL A 36 -11.639 7.099 4.454 1.00 0.00 H new ATOM 0 HA VAL A 36 -10.647 4.501 4.762 1.00 0.00 H new ATOM 0 HB VAL A 36 -9.594 7.060 6.034 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.403 5.960 5.816 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -8.514 5.022 6.842 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -8.201 4.507 5.167 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.281 7.350 3.972 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -9.116 5.955 3.249 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -10.031 7.425 3.657 1.00 0.00 H new ATOM 552 N GLN A 37 -11.637 5.988 7.549 1.00 0.00 N ATOM 553 CA GLN A 37 -12.004 5.751 8.940 1.00 0.00 C ATOM 554 C GLN A 37 -13.162 4.764 9.037 1.00 0.00 C ATOM 555 O GLN A 37 -13.581 4.389 10.131 1.00 0.00 O ATOM 556 CB GLN A 37 -12.382 7.067 9.621 1.00 0.00 C ATOM 557 CG GLN A 37 -11.213 7.754 10.310 1.00 0.00 C ATOM 558 CD GLN A 37 -11.582 9.113 10.869 1.00 0.00 C ATOM 559 OE1 GLN A 37 -11.744 10.093 9.987 1.00 0.00 O flip ATOM 560 NE2 GLN A 37 -11.719 9.283 12.081 1.00 0.00 N flip ATOM 0 H GLN A 37 -11.804 6.941 7.225 1.00 0.00 H new ATOM 0 HA GLN A 37 -11.141 5.321 9.449 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.803 7.743 8.877 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.164 6.875 10.356 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.849 7.120 11.118 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.394 7.868 9.600 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -11.585 8.502 12.724 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -11.966 10.204 12.442 1.00 0.00 H new ATOM 569 N ALA A 38 -13.676 4.347 7.884 1.00 0.00 N ATOM 570 CA ALA A 38 -14.785 3.402 7.839 1.00 0.00 C ATOM 571 C ALA A 38 -14.281 1.963 7.842 1.00 0.00 C ATOM 572 O ALA A 38 -14.749 1.133 8.622 1.00 0.00 O ATOM 573 CB ALA A 38 -15.647 3.659 6.612 1.00 0.00 C ATOM 0 H ALA A 38 -13.342 4.649 6.969 1.00 0.00 H new ATOM 0 HA ALA A 38 -15.391 3.548 8.733 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -16.471 2.946 6.591 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -16.045 4.673 6.653 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -15.043 3.542 5.712 1.00 0.00 H new ATOM 579 N PHE A 39 -13.325 1.674 6.966 1.00 0.00 N ATOM 580 CA PHE A 39 -12.758 0.334 6.867 1.00 0.00 C ATOM 581 C PHE A 39 -11.594 0.163 7.839 1.00 0.00 C ATOM 582 O PHE A 39 -11.045 -0.930 7.982 1.00 0.00 O ATOM 583 CB PHE A 39 -12.288 0.061 5.437 1.00 0.00 C ATOM 584 CG PHE A 39 -11.018 0.777 5.076 1.00 0.00 C ATOM 585 CD1 PHE A 39 -9.803 0.370 5.603 1.00 0.00 C ATOM 586 CD2 PHE A 39 -11.039 1.858 4.210 1.00 0.00 C ATOM 587 CE1 PHE A 39 -8.634 1.028 5.274 1.00 0.00 C ATOM 588 CE2 PHE A 39 -9.873 2.520 3.876 1.00 0.00 C ATOM 589 CZ PHE A 39 -8.668 2.104 4.408 1.00 0.00 C ATOM 0 H PHE A 39 -12.926 2.350 6.314 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.536 -0.383 7.130 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -12.140 -1.011 5.310 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -13.073 0.358 4.742 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -9.770 -0.472 6.279 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -11.978 2.187 3.791 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.694 0.702 5.693 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -9.904 3.362 3.200 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.755 2.619 4.148 1.00 0.00 H new ATOM 599 N THR A 40 -11.222 1.251 8.506 1.00 0.00 N ATOM 600 CA THR A 40 -10.124 1.223 9.462 1.00 0.00 C ATOM 601 C THR A 40 -10.632 1.395 10.889 1.00 0.00 C ATOM 602 O THR A 40 -9.919 1.110 11.852 1.00 0.00 O ATOM 603 CB THR A 40 -9.089 2.324 9.162 1.00 0.00 C ATOM 604 OG1 THR A 40 -9.702 3.614 9.264 1.00 0.00 O ATOM 605 CG2 THR A 40 -8.498 2.146 7.772 1.00 0.00 C ATOM 0 H THR A 40 -11.666 2.163 8.401 1.00 0.00 H new ATOM 0 HA THR A 40 -9.646 0.248 9.364 1.00 0.00 H new ATOM 0 HB THR A 40 -8.285 2.246 9.894 1.00 0.00 H new ATOM 0 HG1 THR A 40 -10.474 3.658 8.662 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.770 2.935 7.582 1.00 0.00 H new ATOM 0 HG22 THR A 40 -8.007 1.175 7.707 1.00 0.00 H new ATOM 0 HG23 THR A 40 -9.293 2.200 7.029 1.00 0.00 H new ATOM 613 N HIS A 41 -11.870 1.863 11.019 1.00 0.00 N ATOM 614 CA HIS A 41 -12.475 2.072 12.330 1.00 0.00 C ATOM 615 C HIS A 41 -11.448 2.609 13.322 1.00 0.00 C ATOM 616 O HIS A 41 -11.440 2.224 14.491 1.00 0.00 O ATOM 617 CB HIS A 41 -13.072 0.765 12.853 1.00 0.00 C ATOM 618 CG HIS A 41 -14.207 0.250 12.023 1.00 0.00 C ATOM 619 ND1 HIS A 41 -15.522 0.600 12.245 1.00 0.00 N ATOM 620 CD2 HIS A 41 -14.218 -0.592 10.963 1.00 0.00 C ATOM 621 CE1 HIS A 41 -16.293 -0.006 11.360 1.00 0.00 C ATOM 622 NE2 HIS A 41 -15.526 -0.735 10.570 1.00 0.00 N ATOM 0 H HIS A 41 -12.473 2.104 10.233 1.00 0.00 H new ATOM 0 HA HIS A 41 -13.271 2.809 12.223 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -12.289 0.008 12.892 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -13.420 0.917 13.875 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -13.358 -1.064 10.511 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -17.368 0.080 11.294 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -15.852 -1.311 9.794 1.00 0.00 H new ATOM 631 N ALA A 42 -10.584 3.500 12.848 1.00 0.00 N ATOM 632 CA ALA A 42 -9.554 4.091 13.694 1.00 0.00 C ATOM 633 C ALA A 42 -9.211 5.504 13.235 1.00 0.00 C ATOM 634 O ALA A 42 -9.352 5.854 12.063 1.00 0.00 O ATOM 635 CB ALA A 42 -8.308 3.218 13.697 1.00 0.00 C ATOM 0 H ALA A 42 -10.577 3.829 11.882 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.944 4.152 14.710 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.548 3.672 14.333 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.558 2.229 14.080 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.925 3.128 12.681 1.00 0.00 H new ATOM 641 N PRO A 43 -8.751 6.338 14.179 1.00 0.00 N ATOM 642 CA PRO A 43 -8.378 7.727 13.895 1.00 0.00 C ATOM 643 C PRO A 43 -7.482 7.848 12.668 1.00 0.00 C ATOM 644 O PRO A 43 -6.259 7.744 12.768 1.00 0.00 O ATOM 645 CB PRO A 43 -7.621 8.156 15.154 1.00 0.00 C ATOM 646 CG PRO A 43 -8.160 7.285 16.236 1.00 0.00 C ATOM 647 CD PRO A 43 -8.558 5.990 15.597 1.00 0.00 C ATOM 0 HA PRO A 43 -9.248 8.345 13.673 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.546 8.020 15.035 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -7.786 9.210 15.375 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.409 7.119 17.008 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.016 7.756 16.720 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.786 5.230 15.720 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.471 5.591 16.038 1.00 0.00 H new ATOM 655 N ALA A 44 -8.097 8.067 11.510 1.00 0.00 N ATOM 656 CA ALA A 44 -7.354 8.204 10.264 1.00 0.00 C ATOM 657 C ALA A 44 -7.483 9.615 9.700 1.00 0.00 C ATOM 658 O ALA A 44 -8.580 10.172 9.636 1.00 0.00 O ATOM 659 CB ALA A 44 -7.836 7.181 9.247 1.00 0.00 C ATOM 0 H ALA A 44 -9.108 8.153 11.409 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.301 8.021 10.476 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.272 7.295 8.321 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.686 6.176 9.642 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.896 7.338 9.048 1.00 0.00 H new ATOM 665 N THR A 45 -6.356 10.190 9.292 1.00 0.00 N ATOM 666 CA THR A 45 -6.343 11.537 8.735 1.00 0.00 C ATOM 667 C THR A 45 -5.809 11.536 7.307 1.00 0.00 C ATOM 668 O THR A 45 -4.598 11.500 7.086 1.00 0.00 O ATOM 669 CB THR A 45 -5.487 12.490 9.590 1.00 0.00 C ATOM 670 OG1 THR A 45 -6.080 12.654 10.883 1.00 0.00 O ATOM 671 CG2 THR A 45 -5.348 13.846 8.915 1.00 0.00 C ATOM 0 H THR A 45 -5.440 9.744 9.337 1.00 0.00 H new ATOM 0 HA THR A 45 -7.375 11.889 8.734 1.00 0.00 H new ATOM 0 HB THR A 45 -4.495 12.053 9.698 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.529 13.260 11.421 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.739 14.502 9.538 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.870 13.721 7.943 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.335 14.288 8.779 1.00 0.00 H new ATOM 679 N LEU A 46 -6.720 11.577 6.341 1.00 0.00 N ATOM 680 CA LEU A 46 -6.341 11.582 4.932 1.00 0.00 C ATOM 681 C LEU A 46 -6.602 12.947 4.303 1.00 0.00 C ATOM 682 O LEU A 46 -7.628 13.574 4.564 1.00 0.00 O ATOM 683 CB LEU A 46 -7.112 10.501 4.172 1.00 0.00 C ATOM 684 CG LEU A 46 -6.451 9.977 2.897 1.00 0.00 C ATOM 685 CD1 LEU A 46 -6.758 8.500 2.705 1.00 0.00 C ATOM 686 CD2 LEU A 46 -6.912 10.780 1.689 1.00 0.00 C ATOM 0 H LEU A 46 -7.726 11.607 6.507 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.274 11.371 4.867 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.276 9.659 4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.093 10.898 3.912 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.372 10.093 2.996 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.279 8.144 1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.379 7.936 3.557 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.836 8.360 2.628 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.432 10.393 0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.994 10.695 1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.641 11.827 1.823 1.00 0.00 H new ATOM 698 N GLU A 47 -5.668 13.398 3.471 1.00 0.00 N ATOM 699 CA GLU A 47 -5.799 14.688 2.803 1.00 0.00 C ATOM 700 C GLU A 47 -5.565 14.549 1.302 1.00 0.00 C ATOM 701 O GLU A 47 -4.426 14.560 0.837 1.00 0.00 O ATOM 702 CB GLU A 47 -4.811 15.696 3.394 1.00 0.00 C ATOM 703 CG GLU A 47 -5.064 16.009 4.859 1.00 0.00 C ATOM 704 CD GLU A 47 -6.094 17.105 5.052 1.00 0.00 C ATOM 705 OE1 GLU A 47 -6.003 18.133 4.350 1.00 0.00 O ATOM 706 OE2 GLU A 47 -6.990 16.935 5.905 1.00 0.00 O ATOM 0 H GLU A 47 -4.813 12.890 3.244 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.815 15.050 2.963 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.799 15.307 3.284 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.861 16.621 2.820 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.401 15.105 5.367 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.128 16.309 5.330 1.00 0.00 H new ATOM 713 N ALA A 48 -6.652 14.419 0.549 1.00 0.00 N ATOM 714 CA ALA A 48 -6.566 14.280 -0.900 1.00 0.00 C ATOM 715 C ALA A 48 -5.926 15.511 -1.532 1.00 0.00 C ATOM 716 O ALA A 48 -6.599 16.509 -1.790 1.00 0.00 O ATOM 717 CB ALA A 48 -7.948 14.040 -1.490 1.00 0.00 C ATOM 0 H ALA A 48 -7.603 14.407 0.918 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.934 13.420 -1.121 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.869 13.938 -2.572 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.370 13.127 -1.069 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.597 14.883 -1.251 1.00 0.00 H new ATOM 723 N ASP A 49 -4.623 15.433 -1.779 1.00 0.00 N ATOM 724 CA ASP A 49 -3.891 16.541 -2.382 1.00 0.00 C ATOM 725 C ASP A 49 -2.442 16.151 -2.656 1.00 0.00 C ATOM 726 O ASP A 49 -1.842 15.386 -1.901 1.00 0.00 O ATOM 727 CB ASP A 49 -3.938 17.768 -1.469 1.00 0.00 C ATOM 728 CG ASP A 49 -3.889 19.069 -2.245 1.00 0.00 C ATOM 729 OD1 ASP A 49 -4.232 19.058 -3.446 1.00 0.00 O ATOM 730 OD2 ASP A 49 -3.508 20.100 -1.652 1.00 0.00 O ATOM 0 H ASP A 49 -4.052 14.614 -1.571 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.368 16.785 -3.331 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.850 17.738 -0.872 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.100 17.732 -0.773 1.00 0.00 H new ATOM 735 N ARG A 50 -1.887 16.680 -3.741 1.00 0.00 N ATOM 736 CA ARG A 50 -0.509 16.385 -4.116 1.00 0.00 C ATOM 737 C ARG A 50 0.455 16.795 -3.007 1.00 0.00 C ATOM 738 O ARG A 50 0.814 17.965 -2.883 1.00 0.00 O ATOM 739 CB ARG A 50 -0.146 17.107 -5.415 1.00 0.00 C ATOM 740 CG ARG A 50 -0.517 16.330 -6.667 1.00 0.00 C ATOM 741 CD ARG A 50 0.167 16.901 -7.900 1.00 0.00 C ATOM 742 NE ARG A 50 -0.616 16.679 -9.112 1.00 0.00 N ATOM 743 CZ ARG A 50 -1.633 17.450 -9.481 1.00 0.00 C ATOM 744 NH1 ARG A 50 -1.988 18.487 -8.735 1.00 0.00 N ATOM 745 NH2 ARG A 50 -2.298 17.184 -10.599 1.00 0.00 N ATOM 0 H ARG A 50 -2.370 17.315 -4.376 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.423 15.309 -4.270 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.648 18.074 -5.436 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.926 17.304 -5.424 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.235 15.284 -6.545 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.598 16.355 -6.805 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.328 17.970 -7.763 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.150 16.443 -8.014 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.369 15.889 -9.708 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.480 18.695 -7.875 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.769 19.077 -9.021 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.028 16.387 -11.176 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.079 17.777 -10.881 1.00 0.00 H new ATOM 759 N GLY A 51 0.871 15.822 -2.202 1.00 0.00 N ATOM 760 CA GLY A 51 1.790 16.101 -1.113 1.00 0.00 C ATOM 761 C GLY A 51 1.129 15.988 0.246 1.00 0.00 C ATOM 762 O GLY A 51 1.796 16.070 1.277 1.00 0.00 O ATOM 0 H GLY A 51 0.588 14.845 -2.284 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.630 15.408 -1.164 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.197 17.105 -1.233 1.00 0.00 H new ATOM 766 N GLY A 52 -0.187 15.801 0.249 1.00 0.00 N ATOM 767 CA GLY A 52 -0.916 15.681 1.498 1.00 0.00 C ATOM 768 C GLY A 52 -0.490 14.471 2.305 1.00 0.00 C ATOM 769 O GLY A 52 0.269 13.630 1.823 1.00 0.00 O ATOM 0 H GLY A 52 -0.761 15.730 -0.591 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.763 16.582 2.092 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.983 15.616 1.287 1.00 0.00 H new ATOM 773 N LYS A 53 -0.978 14.382 3.538 1.00 0.00 N ATOM 774 CA LYS A 53 -0.643 13.267 4.415 1.00 0.00 C ATOM 775 C LYS A 53 -1.853 12.364 4.633 1.00 0.00 C ATOM 776 O LYS A 53 -2.996 12.819 4.589 1.00 0.00 O ATOM 777 CB LYS A 53 -0.132 13.785 5.761 1.00 0.00 C ATOM 778 CG LYS A 53 1.372 13.994 5.801 1.00 0.00 C ATOM 779 CD LYS A 53 1.841 14.889 4.667 1.00 0.00 C ATOM 780 CE LYS A 53 3.176 15.543 4.988 1.00 0.00 C ATOM 781 NZ LYS A 53 4.314 14.602 4.796 1.00 0.00 N ATOM 0 H LYS A 53 -1.607 15.070 3.952 1.00 0.00 H new ATOM 0 HA LYS A 53 0.143 12.684 3.935 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.628 14.728 5.990 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.413 13.080 6.543 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.653 14.438 6.756 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.876 13.030 5.737 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.933 14.302 3.753 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.094 15.659 4.477 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.315 16.416 4.351 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.168 15.898 6.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.206 15.085 5.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.195 13.780 5.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.337 14.283 3.807 1.00 0.00 H new ATOM 795 N PHE A 54 -1.594 11.082 4.869 1.00 0.00 N ATOM 796 CA PHE A 54 -2.663 10.115 5.094 1.00 0.00 C ATOM 797 C PHE A 54 -2.303 9.161 6.229 1.00 0.00 C ATOM 798 O PHE A 54 -1.410 8.324 6.092 1.00 0.00 O ATOM 799 CB PHE A 54 -2.940 9.322 3.815 1.00 0.00 C ATOM 800 CG PHE A 54 -1.951 8.218 3.568 1.00 0.00 C ATOM 801 CD1 PHE A 54 -2.142 6.963 4.124 1.00 0.00 C ATOM 802 CD2 PHE A 54 -0.832 8.435 2.782 1.00 0.00 C ATOM 803 CE1 PHE A 54 -1.235 5.945 3.898 1.00 0.00 C ATOM 804 CE2 PHE A 54 0.079 7.421 2.553 1.00 0.00 C ATOM 805 CZ PHE A 54 -0.123 6.175 3.113 1.00 0.00 C ATOM 0 H PHE A 54 -0.654 10.689 4.909 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.562 10.664 5.375 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.942 8.896 3.871 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.931 10.004 2.965 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -3.009 6.778 4.741 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.669 9.408 2.343 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.396 4.971 4.335 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.947 7.603 1.937 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.588 5.381 2.937 1.00 0.00 H new ATOM 815 N HIS A 55 -3.004 9.294 7.350 1.00 0.00 N ATOM 816 CA HIS A 55 -2.760 8.445 8.510 1.00 0.00 C ATOM 817 C HIS A 55 -3.933 7.498 8.748 1.00 0.00 C ATOM 818 O HIS A 55 -5.092 7.882 8.595 1.00 0.00 O ATOM 819 CB HIS A 55 -2.520 9.301 9.754 1.00 0.00 C ATOM 820 CG HIS A 55 -1.493 8.732 10.684 1.00 0.00 C ATOM 821 ND1 HIS A 55 -0.931 7.484 10.512 1.00 0.00 N ATOM 822 CD2 HIS A 55 -0.926 9.248 11.800 1.00 0.00 C ATOM 823 CE1 HIS A 55 -0.064 7.257 11.483 1.00 0.00 C ATOM 824 NE2 HIS A 55 -0.042 8.312 12.277 1.00 0.00 N ATOM 0 H HIS A 55 -3.746 9.982 7.480 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.870 7.849 8.311 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.205 10.297 9.444 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -3.461 9.417 10.292 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -1.150 6.838 9.754 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -1.131 10.215 12.234 1.00 0.00 H new ATOM 0 HE1 HIS A 55 0.526 6.361 11.606 1.00 0.00 H new ATOM 833 N MET A 56 -3.622 6.261 9.121 1.00 0.00 N ATOM 834 CA MET A 56 -4.651 5.261 9.380 1.00 0.00 C ATOM 835 C MET A 56 -4.202 4.286 10.464 1.00 0.00 C ATOM 836 O MET A 56 -3.081 4.374 10.965 1.00 0.00 O ATOM 837 CB MET A 56 -4.984 4.497 8.097 1.00 0.00 C ATOM 838 CG MET A 56 -3.846 4.475 7.090 1.00 0.00 C ATOM 839 SD MET A 56 -3.779 2.938 6.150 1.00 0.00 S ATOM 840 CE MET A 56 -5.432 2.890 5.461 1.00 0.00 C ATOM 0 H MET A 56 -2.667 5.927 9.251 1.00 0.00 H new ATOM 0 HA MET A 56 -5.545 5.778 9.729 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.251 3.472 8.353 1.00 0.00 H new ATOM 0 HB3 MET A 56 -5.861 4.948 7.632 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.959 5.313 6.402 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.900 4.618 7.613 1.00 0.00 H new ATOM 0 HE1 MET A 56 -5.398 2.451 4.464 1.00 0.00 H new ATOM 0 HE2 MET A 56 -6.076 2.287 6.101 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.830 3.903 5.398 1.00 0.00 H new ATOM 850 N VAL A 57 -5.084 3.358 10.822 1.00 0.00 N ATOM 851 CA VAL A 57 -4.777 2.366 11.846 1.00 0.00 C ATOM 852 C VAL A 57 -4.505 3.031 13.191 1.00 0.00 C ATOM 853 O VAL A 57 -3.612 2.617 13.930 1.00 0.00 O ATOM 854 CB VAL A 57 -3.557 1.512 11.452 1.00 0.00 C ATOM 855 CG1 VAL A 57 -3.390 0.345 12.414 1.00 0.00 C ATOM 856 CG2 VAL A 57 -3.694 1.018 10.020 1.00 0.00 C ATOM 0 H VAL A 57 -6.017 3.272 10.418 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.651 1.720 11.933 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.664 2.134 11.514 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.523 -0.247 12.120 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.244 0.725 13.425 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.283 -0.280 12.387 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.824 0.416 9.758 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.595 0.412 9.929 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.761 1.872 9.346 1.00 0.00 H new ATOM 866 N ASP A 58 -5.281 4.064 13.501 1.00 0.00 N ATOM 867 CA ASP A 58 -5.125 4.786 14.758 1.00 0.00 C ATOM 868 C ASP A 58 -3.790 5.524 14.800 1.00 0.00 C ATOM 869 O ASP A 58 -3.154 5.619 15.848 1.00 0.00 O ATOM 870 CB ASP A 58 -5.226 3.822 15.941 1.00 0.00 C ATOM 871 CG ASP A 58 -5.766 4.491 17.190 1.00 0.00 C ATOM 872 OD1 ASP A 58 -5.180 5.508 17.619 1.00 0.00 O ATOM 873 OD2 ASP A 58 -6.774 3.999 17.737 1.00 0.00 O ATOM 0 H ASP A 58 -6.024 4.420 12.899 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.928 5.520 14.828 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.873 2.987 15.671 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.241 3.406 16.152 1.00 0.00 H new ATOM 878 N GLY A 59 -3.372 6.044 13.650 1.00 0.00 N ATOM 879 CA GLY A 59 -2.114 6.766 13.576 1.00 0.00 C ATOM 880 C GLY A 59 -0.913 5.842 13.603 1.00 0.00 C ATOM 881 O GLY A 59 0.161 6.223 14.064 1.00 0.00 O ATOM 0 H GLY A 59 -3.881 5.979 12.769 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.092 7.359 12.661 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.050 7.465 14.410 1.00 0.00 H new ATOM 885 N ASN A 60 -1.096 4.622 13.108 1.00 0.00 N ATOM 886 CA ASN A 60 -0.019 3.639 13.078 1.00 0.00 C ATOM 887 C ASN A 60 0.626 3.580 11.697 1.00 0.00 C ATOM 888 O ASN A 60 1.783 3.183 11.557 1.00 0.00 O ATOM 889 CB ASN A 60 -0.550 2.257 13.465 1.00 0.00 C ATOM 890 CG ASN A 60 -0.460 1.999 14.956 1.00 0.00 C ATOM 891 OD1 ASN A 60 0.528 1.450 15.444 1.00 0.00 O ATOM 892 ND2 ASN A 60 -1.494 2.395 15.689 1.00 0.00 N ATOM 0 H ASN A 60 -1.980 4.291 12.722 1.00 0.00 H new ATOM 0 HA ASN A 60 0.738 3.945 13.800 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.588 2.167 13.146 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.014 1.492 12.932 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.490 2.248 16.698 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.293 2.846 15.243 1.00 0.00 H new ATOM 899 N VAL A 61 -0.130 3.980 10.679 1.00 0.00 N ATOM 900 CA VAL A 61 0.369 3.975 9.309 1.00 0.00 C ATOM 901 C VAL A 61 0.072 5.298 8.612 1.00 0.00 C ATOM 902 O VAL A 61 -1.087 5.659 8.410 1.00 0.00 O ATOM 903 CB VAL A 61 -0.251 2.826 8.491 1.00 0.00 C ATOM 904 CG1 VAL A 61 0.046 3.004 7.010 1.00 0.00 C ATOM 905 CG2 VAL A 61 0.261 1.483 8.988 1.00 0.00 C ATOM 0 H VAL A 61 -1.090 4.311 10.777 1.00 0.00 H new ATOM 0 HA VAL A 61 1.448 3.831 9.365 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.332 2.849 8.625 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.400 2.183 6.448 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.374 3.949 6.666 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.125 3.007 6.853 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.187 0.682 8.399 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.345 1.446 8.885 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.008 1.356 10.037 1.00 0.00 H new ATOM 915 N SER A 62 1.128 6.016 8.244 1.00 0.00 N ATOM 916 CA SER A 62 0.982 7.302 7.572 1.00 0.00 C ATOM 917 C SER A 62 1.815 7.345 6.294 1.00 0.00 C ATOM 918 O SER A 62 2.524 6.393 5.970 1.00 0.00 O ATOM 919 CB SER A 62 1.399 8.440 8.505 1.00 0.00 C ATOM 920 OG SER A 62 0.596 9.589 8.299 1.00 0.00 O ATOM 0 H SER A 62 2.094 5.729 8.400 1.00 0.00 H new ATOM 0 HA SER A 62 -0.067 7.427 7.305 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.314 8.114 9.542 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.446 8.689 8.334 1.00 0.00 H new ATOM 0 HG SER A 62 0.882 10.301 8.908 1.00 0.00 H new ATOM 926 N GLY A 63 1.723 8.458 5.572 1.00 0.00 N ATOM 927 CA GLY A 63 2.473 8.605 4.338 1.00 0.00 C ATOM 928 C GLY A 63 2.329 9.988 3.735 1.00 0.00 C ATOM 929 O GLY A 63 2.011 10.948 4.436 1.00 0.00 O ATOM 0 H GLY A 63 1.143 9.260 5.819 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.527 8.404 4.530 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.132 7.861 3.618 1.00 0.00 H new ATOM 933 N GLU A 64 2.566 10.091 2.431 1.00 0.00 N ATOM 934 CA GLU A 64 2.464 11.368 1.734 1.00 0.00 C ATOM 935 C GLU A 64 2.124 11.159 0.261 1.00 0.00 C ATOM 936 O GLU A 64 2.712 10.309 -0.408 1.00 0.00 O ATOM 937 CB GLU A 64 3.773 12.150 1.861 1.00 0.00 C ATOM 938 CG GLU A 64 4.747 11.894 0.724 1.00 0.00 C ATOM 939 CD GLU A 64 5.991 12.757 0.816 1.00 0.00 C ATOM 940 OE1 GLU A 64 6.296 13.239 1.927 1.00 0.00 O ATOM 941 OE2 GLU A 64 6.658 12.950 -0.222 1.00 0.00 O ATOM 0 H GLU A 64 2.830 9.306 1.836 1.00 0.00 H new ATOM 0 HA GLU A 64 1.661 11.941 2.196 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.547 13.216 1.902 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.252 11.889 2.805 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.037 10.843 0.729 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.248 12.083 -0.226 1.00 0.00 H new ATOM 948 N PHE A 65 1.171 11.940 -0.237 1.00 0.00 N ATOM 949 CA PHE A 65 0.752 11.840 -1.630 1.00 0.00 C ATOM 950 C PHE A 65 1.768 12.505 -2.553 1.00 0.00 C ATOM 951 O PHE A 65 2.065 13.693 -2.417 1.00 0.00 O ATOM 952 CB PHE A 65 -0.623 12.485 -1.818 1.00 0.00 C ATOM 953 CG PHE A 65 -1.755 11.647 -1.295 1.00 0.00 C ATOM 954 CD1 PHE A 65 -1.565 10.799 -0.216 1.00 0.00 C ATOM 955 CD2 PHE A 65 -3.008 11.707 -1.883 1.00 0.00 C ATOM 956 CE1 PHE A 65 -2.605 10.026 0.268 1.00 0.00 C ATOM 957 CE2 PHE A 65 -4.051 10.937 -1.404 1.00 0.00 C ATOM 958 CZ PHE A 65 -3.849 10.095 -0.327 1.00 0.00 C ATOM 0 H PHE A 65 0.675 12.649 0.303 1.00 0.00 H new ATOM 0 HA PHE A 65 0.689 10.783 -1.889 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.634 13.451 -1.314 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.783 12.677 -2.879 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.594 10.741 0.253 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.172 12.363 -2.725 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.444 9.369 1.110 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.023 10.993 -1.871 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.663 9.492 0.049 1.00 0.00 H new ATOM 968 N THR A 66 2.300 11.730 -3.493 1.00 0.00 N ATOM 969 CA THR A 66 3.285 12.242 -4.438 1.00 0.00 C ATOM 970 C THR A 66 2.668 12.448 -5.817 1.00 0.00 C ATOM 971 O THR A 66 3.030 13.380 -6.536 1.00 0.00 O ATOM 972 CB THR A 66 4.490 11.291 -4.565 1.00 0.00 C ATOM 973 OG1 THR A 66 4.038 9.964 -4.861 1.00 0.00 O ATOM 974 CG2 THR A 66 5.307 11.279 -3.282 1.00 0.00 C ATOM 0 H THR A 66 2.065 10.746 -3.620 1.00 0.00 H new ATOM 0 HA THR A 66 3.628 13.201 -4.048 1.00 0.00 H new ATOM 0 HB THR A 66 5.123 11.649 -5.377 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.062 9.963 -4.947 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.152 10.600 -3.395 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.674 12.284 -3.075 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.681 10.944 -2.455 1.00 0.00 H new ATOM 982 N ASP A 67 1.735 11.575 -6.179 1.00 0.00 N ATOM 983 CA ASP A 67 1.066 11.663 -7.472 1.00 0.00 C ATOM 984 C ASP A 67 -0.412 11.310 -7.344 1.00 0.00 C ATOM 985 O ASP A 67 -0.784 10.413 -6.586 1.00 0.00 O ATOM 986 CB ASP A 67 1.739 10.733 -8.483 1.00 0.00 C ATOM 987 CG ASP A 67 1.637 11.251 -9.904 1.00 0.00 C ATOM 988 OD1 ASP A 67 0.507 11.544 -10.348 1.00 0.00 O ATOM 989 OD2 ASP A 67 2.686 11.362 -10.572 1.00 0.00 O ATOM 0 H ASP A 67 1.424 10.798 -5.596 1.00 0.00 H new ATOM 0 HA ASP A 67 1.147 12.691 -7.826 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.789 10.612 -8.218 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.280 9.746 -8.426 1.00 0.00 H new ATOM 994 N LEU A 68 -1.252 12.022 -8.088 1.00 0.00 N ATOM 995 CA LEU A 68 -2.691 11.785 -8.057 1.00 0.00 C ATOM 996 C LEU A 68 -3.305 11.983 -9.439 1.00 0.00 C ATOM 997 O LEU A 68 -3.427 13.110 -9.920 1.00 0.00 O ATOM 998 CB LEU A 68 -3.360 12.721 -7.050 1.00 0.00 C ATOM 999 CG LEU A 68 -3.008 12.488 -5.580 1.00 0.00 C ATOM 1000 CD1 LEU A 68 -3.522 13.633 -4.720 1.00 0.00 C ATOM 1001 CD2 LEU A 68 -3.576 11.161 -5.100 1.00 0.00 C ATOM 0 H LEU A 68 -0.961 12.768 -8.720 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.858 10.752 -7.750 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.097 13.747 -7.308 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.440 12.631 -7.163 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.923 12.450 -5.487 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.262 13.450 -3.677 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.067 14.567 -5.049 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.605 13.703 -4.817 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.316 11.012 -4.052 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.661 11.169 -5.207 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.159 10.350 -5.697 1.00 0.00 H new ATOM 1013 N VAL A 69 -3.692 10.881 -10.073 1.00 0.00 N ATOM 1014 CA VAL A 69 -4.297 10.934 -11.399 1.00 0.00 C ATOM 1015 C VAL A 69 -5.779 10.579 -11.341 1.00 0.00 C ATOM 1016 O VAL A 69 -6.197 9.663 -10.633 1.00 0.00 O ATOM 1017 CB VAL A 69 -3.590 9.978 -12.377 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -4.090 10.200 -13.796 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -2.081 10.158 -12.300 1.00 0.00 C ATOM 0 H VAL A 69 -3.597 9.940 -9.690 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.185 11.957 -11.758 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.826 8.953 -12.091 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.579 9.515 -14.473 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.164 10.016 -13.836 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.886 11.228 -14.097 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.597 9.475 -12.998 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.823 11.185 -12.560 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.740 9.944 -11.287 1.00 0.00 H new ATOM 1029 N PRO A 70 -6.595 11.321 -12.104 1.00 0.00 N ATOM 1030 CA PRO A 70 -8.044 11.104 -12.158 1.00 0.00 C ATOM 1031 C PRO A 70 -8.402 9.635 -12.357 1.00 0.00 C ATOM 1032 O PRO A 70 -8.149 9.063 -13.417 1.00 0.00 O ATOM 1033 CB PRO A 70 -8.482 11.929 -13.370 1.00 0.00 C ATOM 1034 CG PRO A 70 -7.451 12.998 -13.493 1.00 0.00 C ATOM 1035 CD PRO A 70 -6.166 12.430 -12.973 1.00 0.00 C ATOM 0 HA PRO A 70 -8.534 11.394 -11.229 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.527 11.317 -14.271 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -9.476 12.352 -13.223 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -7.342 13.311 -14.531 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.741 13.881 -12.923 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.528 12.078 -13.784 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.596 13.175 -12.418 1.00 0.00 H new ATOM 1043 N GLU A 71 -8.992 9.030 -11.331 1.00 0.00 N ATOM 1044 CA GLU A 71 -9.384 7.627 -11.394 1.00 0.00 C ATOM 1045 C GLU A 71 -8.445 6.840 -12.303 1.00 0.00 C ATOM 1046 O GLU A 71 -8.887 6.099 -13.181 1.00 0.00 O ATOM 1047 CB GLU A 71 -10.824 7.499 -11.897 1.00 0.00 C ATOM 1048 CG GLU A 71 -11.821 8.330 -11.107 1.00 0.00 C ATOM 1049 CD GLU A 71 -13.184 8.390 -11.768 1.00 0.00 C ATOM 1050 OE1 GLU A 71 -13.563 7.407 -12.438 1.00 0.00 O ATOM 1051 OE2 GLU A 71 -13.872 9.422 -11.615 1.00 0.00 O ATOM 0 H GLU A 71 -9.209 9.489 -10.447 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.320 7.213 -10.388 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.862 7.800 -12.944 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.123 6.452 -11.855 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.925 7.911 -10.106 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.433 9.342 -10.990 1.00 0.00 H new ATOM 1058 N LYS A 72 -7.144 7.006 -12.086 1.00 0.00 N ATOM 1059 CA LYS A 72 -6.140 6.312 -12.883 1.00 0.00 C ATOM 1060 C LYS A 72 -5.145 5.581 -11.988 1.00 0.00 C ATOM 1061 O LYS A 72 -5.000 4.361 -12.071 1.00 0.00 O ATOM 1062 CB LYS A 72 -5.400 7.304 -13.784 1.00 0.00 C ATOM 1063 CG LYS A 72 -6.134 7.618 -15.075 1.00 0.00 C ATOM 1064 CD LYS A 72 -5.171 7.785 -16.239 1.00 0.00 C ATOM 1065 CE LYS A 72 -4.906 6.460 -16.937 1.00 0.00 C ATOM 1066 NZ LYS A 72 -5.995 6.106 -17.888 1.00 0.00 N ATOM 0 H LYS A 72 -6.761 7.616 -11.364 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.650 5.576 -13.505 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.238 8.231 -13.234 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.417 6.900 -14.024 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.839 6.817 -15.297 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.717 8.531 -14.950 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.582 8.498 -16.954 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.231 8.202 -15.878 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.959 6.516 -17.474 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.804 5.671 -16.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.777 5.197 -18.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.895 6.028 -17.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.076 6.846 -18.614 1.00 0.00 H new ATOM 1080 N HIS A 73 -4.461 6.334 -11.132 1.00 0.00 N ATOM 1081 CA HIS A 73 -3.481 5.756 -10.220 1.00 0.00 C ATOM 1082 C HIS A 73 -3.130 6.739 -9.107 1.00 0.00 C ATOM 1083 O HIS A 73 -3.395 7.936 -9.216 1.00 0.00 O ATOM 1084 CB HIS A 73 -2.217 5.357 -10.982 1.00 0.00 C ATOM 1085 CG HIS A 73 -1.105 6.354 -10.860 1.00 0.00 C ATOM 1086 ND1 HIS A 73 -1.130 7.705 -10.798 1.00 0.00 N flip ATOM 1087 CD2 HIS A 73 0.224 5.993 -10.790 1.00 0.00 C flip ATOM 1088 CE1 HIS A 73 0.170 8.133 -10.691 1.00 0.00 C flip ATOM 1089 NE2 HIS A 73 0.968 7.080 -10.688 1.00 0.00 N flip ATOM 0 H HIS A 73 -4.568 7.345 -11.051 1.00 0.00 H new ATOM 0 HA HIS A 73 -3.920 4.866 -9.770 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.870 4.391 -10.614 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -2.464 5.227 -12.036 1.00 0.00 H new ATOM 0 HD2 HIS A 73 0.598 4.980 -10.815 1.00 0.00 H new ATOM 0 HE1 HIS A 73 0.488 9.163 -10.621 1.00 0.00 H new ATOM 0 HE2 HIS A 73 1.985 7.102 -10.619 1.00 0.00 H new ATOM 1098 N ILE A 74 -2.534 6.224 -8.036 1.00 0.00 N ATOM 1099 CA ILE A 74 -2.146 7.056 -6.904 1.00 0.00 C ATOM 1100 C ILE A 74 -0.797 6.624 -6.340 1.00 0.00 C ATOM 1101 O ILE A 74 -0.602 5.460 -5.991 1.00 0.00 O ATOM 1102 CB ILE A 74 -3.199 7.005 -5.782 1.00 0.00 C ATOM 1103 CG1 ILE A 74 -4.569 7.425 -6.318 1.00 0.00 C ATOM 1104 CG2 ILE A 74 -2.782 7.898 -4.623 1.00 0.00 C ATOM 1105 CD1 ILE A 74 -5.706 7.144 -5.360 1.00 0.00 C ATOM 0 H ILE A 74 -2.310 5.235 -7.929 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.071 8.078 -7.275 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.271 5.980 -5.418 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.550 8.491 -6.544 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.758 6.904 -7.256 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.537 7.851 -3.838 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.825 7.558 -4.227 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.685 8.926 -4.972 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.646 7.468 -5.806 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.752 6.075 -5.153 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.540 7.687 -4.429 1.00 0.00 H new ATOM 1117 N VAL A 75 0.132 7.571 -6.252 1.00 0.00 N ATOM 1118 CA VAL A 75 1.463 7.289 -5.728 1.00 0.00 C ATOM 1119 C VAL A 75 1.708 8.034 -4.420 1.00 0.00 C ATOM 1120 O VAL A 75 1.621 9.261 -4.368 1.00 0.00 O ATOM 1121 CB VAL A 75 2.559 7.676 -6.739 1.00 0.00 C ATOM 1122 CG1 VAL A 75 3.901 7.094 -6.321 1.00 0.00 C ATOM 1123 CG2 VAL A 75 2.179 7.213 -8.137 1.00 0.00 C ATOM 0 H VAL A 75 -0.013 8.540 -6.537 1.00 0.00 H new ATOM 0 HA VAL A 75 1.510 6.215 -5.546 1.00 0.00 H new ATOM 0 HB VAL A 75 2.651 8.762 -6.753 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.663 7.378 -7.047 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.175 7.479 -5.339 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.829 6.007 -6.277 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.964 7.494 -8.839 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.059 6.130 -8.141 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.241 7.683 -8.434 1.00 0.00 H new ATOM 1133 N MET A 76 2.013 7.285 -3.366 1.00 0.00 N ATOM 1134 CA MET A 76 2.272 7.875 -2.058 1.00 0.00 C ATOM 1135 C MET A 76 3.248 7.018 -1.259 1.00 0.00 C ATOM 1136 O MET A 76 3.630 5.929 -1.687 1.00 0.00 O ATOM 1137 CB MET A 76 0.965 8.039 -1.281 1.00 0.00 C ATOM 1138 CG MET A 76 0.468 6.749 -0.648 1.00 0.00 C ATOM 1139 SD MET A 76 -1.281 6.816 -0.215 1.00 0.00 S ATOM 1140 CE MET A 76 -1.840 5.225 -0.817 1.00 0.00 C ATOM 0 H MET A 76 2.087 6.268 -3.392 1.00 0.00 H new ATOM 0 HA MET A 76 2.720 8.857 -2.212 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.107 8.786 -0.500 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.198 8.423 -1.953 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.636 5.922 -1.338 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.052 6.540 0.248 1.00 0.00 H new ATOM 0 HE1 MET A 76 -2.907 5.116 -0.622 1.00 0.00 H new ATOM 0 HE2 MET A 76 -1.659 5.158 -1.890 1.00 0.00 H new ATOM 0 HE3 MET A 76 -1.295 4.431 -0.307 1.00 0.00 H new ATOM 1150 N LYS A 77 3.650 7.517 -0.095 1.00 0.00 N ATOM 1151 CA LYS A 77 4.582 6.797 0.766 1.00 0.00 C ATOM 1152 C LYS A 77 3.834 5.993 1.824 1.00 0.00 C ATOM 1153 O LYS A 77 2.707 6.327 2.190 1.00 0.00 O ATOM 1154 CB LYS A 77 5.545 7.776 1.441 1.00 0.00 C ATOM 1155 CG LYS A 77 6.684 8.225 0.543 1.00 0.00 C ATOM 1156 CD LYS A 77 7.758 8.959 1.328 1.00 0.00 C ATOM 1157 CE LYS A 77 7.488 10.455 1.379 1.00 0.00 C ATOM 1158 NZ LYS A 77 8.655 11.212 1.910 1.00 0.00 N ATOM 0 H LYS A 77 3.345 8.418 0.274 1.00 0.00 H new ATOM 0 HA LYS A 77 5.152 6.106 0.145 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.987 8.652 1.771 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.960 7.307 2.333 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.122 7.358 0.049 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.296 8.876 -0.240 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.804 8.562 2.342 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.731 8.779 0.871 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.247 10.815 0.379 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.616 10.645 2.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.364 12.185 2.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.008 10.747 2.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.409 11.234 1.194 1.00 0.00 H new ATOM 1172 N TRP A 78 4.468 4.933 2.313 1.00 0.00 N ATOM 1173 CA TRP A 78 3.862 4.082 3.330 1.00 0.00 C ATOM 1174 C TRP A 78 4.887 3.682 4.386 1.00 0.00 C ATOM 1175 O TRP A 78 6.052 3.437 4.071 1.00 0.00 O ATOM 1176 CB TRP A 78 3.260 2.832 2.687 1.00 0.00 C ATOM 1177 CG TRP A 78 2.203 2.182 3.527 1.00 0.00 C ATOM 1178 CD1 TRP A 78 0.856 2.396 3.460 1.00 0.00 C ATOM 1179 CD2 TRP A 78 2.406 1.213 4.562 1.00 0.00 C ATOM 1180 NE1 TRP A 78 0.209 1.619 4.391 1.00 0.00 N ATOM 1181 CE2 TRP A 78 1.138 0.884 5.079 1.00 0.00 C ATOM 1182 CE3 TRP A 78 3.536 0.591 5.101 1.00 0.00 C ATOM 1183 CZ2 TRP A 78 0.971 -0.039 6.109 1.00 0.00 C ATOM 1184 CZ3 TRP A 78 3.369 -0.324 6.122 1.00 0.00 C ATOM 1185 CH2 TRP A 78 2.095 -0.633 6.617 1.00 0.00 C ATOM 0 H TRP A 78 5.401 4.643 2.022 1.00 0.00 H new ATOM 0 HA TRP A 78 3.068 4.649 3.817 1.00 0.00 H new ATOM 0 HB2 TRP A 78 2.832 3.099 1.721 1.00 0.00 H new ATOM 0 HB3 TRP A 78 4.055 2.112 2.495 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.370 3.076 2.776 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -0.799 1.594 4.545 1.00 0.00 H new ATOM 0 HE3 TRP A 78 4.522 0.822 4.726 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -0.010 -0.277 6.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 4.235 -0.810 6.546 1.00 0.00 H new ATOM 0 HH2 TRP A 78 1.998 -1.354 7.415 1.00 0.00 H new ATOM 1196 N ARG A 79 4.446 3.616 5.638 1.00 0.00 N ATOM 1197 CA ARG A 79 5.327 3.246 6.739 1.00 0.00 C ATOM 1198 C ARG A 79 4.527 3.003 8.016 1.00 0.00 C ATOM 1199 O ARG A 79 3.359 3.379 8.111 1.00 0.00 O ATOM 1200 CB ARG A 79 6.368 4.341 6.978 1.00 0.00 C ATOM 1201 CG ARG A 79 5.778 5.638 7.505 1.00 0.00 C ATOM 1202 CD ARG A 79 6.766 6.379 8.393 1.00 0.00 C ATOM 1203 NE ARG A 79 6.976 5.696 9.667 1.00 0.00 N ATOM 1204 CZ ARG A 79 7.484 6.287 10.743 1.00 0.00 C ATOM 1205 NH1 ARG A 79 7.832 7.566 10.698 1.00 0.00 N ATOM 1206 NH2 ARG A 79 7.644 5.599 11.866 1.00 0.00 N ATOM 0 H ARG A 79 3.484 3.814 5.915 1.00 0.00 H new ATOM 0 HA ARG A 79 5.838 2.322 6.468 1.00 0.00 H new ATOM 0 HB2 ARG A 79 7.111 3.975 7.687 1.00 0.00 H new ATOM 0 HB3 ARG A 79 6.891 4.543 6.043 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.491 6.275 6.668 1.00 0.00 H new ATOM 0 HG3 ARG A 79 4.870 5.423 8.069 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.719 6.476 7.873 1.00 0.00 H new ATOM 0 HD3 ARG A 79 6.400 7.389 8.579 1.00 0.00 H new ATOM 0 HE ARG A 79 6.719 4.711 9.734 1.00 0.00 H new ATOM 0 HH11 ARG A 79 7.710 8.098 9.836 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.222 8.018 11.525 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.377 4.615 11.904 1.00 0.00 H new ATOM 0 HH22 ARG A 79 8.034 6.054 12.691 1.00 0.00 H new ATOM 1220 N PHE A 80 5.165 2.371 8.996 1.00 0.00 N ATOM 1221 CA PHE A 80 4.513 2.076 10.267 1.00 0.00 C ATOM 1222 C PHE A 80 4.953 3.062 11.345 1.00 0.00 C ATOM 1223 O PHE A 80 5.952 3.765 11.190 1.00 0.00 O ATOM 1224 CB PHE A 80 4.831 0.645 10.707 1.00 0.00 C ATOM 1225 CG PHE A 80 3.775 -0.350 10.319 1.00 0.00 C ATOM 1226 CD1 PHE A 80 2.432 -0.060 10.498 1.00 0.00 C ATOM 1227 CD2 PHE A 80 4.125 -1.576 9.777 1.00 0.00 C ATOM 1228 CE1 PHE A 80 1.458 -0.973 10.142 1.00 0.00 C ATOM 1229 CE2 PHE A 80 3.156 -2.493 9.418 1.00 0.00 C ATOM 1230 CZ PHE A 80 1.820 -2.192 9.602 1.00 0.00 C ATOM 0 H PHE A 80 6.132 2.053 8.934 1.00 0.00 H new ATOM 0 HA PHE A 80 3.437 2.175 10.127 1.00 0.00 H new ATOM 0 HB2 PHE A 80 5.782 0.342 10.270 1.00 0.00 H new ATOM 0 HB3 PHE A 80 4.957 0.626 11.790 1.00 0.00 H new ATOM 0 HD1 PHE A 80 2.143 0.891 10.921 1.00 0.00 H new ATOM 0 HD2 PHE A 80 5.168 -1.818 9.633 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.415 -0.734 10.286 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.442 -3.444 8.994 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.061 -2.908 9.324 1.00 0.00 H new ATOM 1240 N LYS A 81 4.200 3.108 12.439 1.00 0.00 N ATOM 1241 CA LYS A 81 4.510 4.006 13.545 1.00 0.00 C ATOM 1242 C LYS A 81 5.694 3.485 14.353 1.00 0.00 C ATOM 1243 O LYS A 81 6.148 4.133 15.295 1.00 0.00 O ATOM 1244 CB LYS A 81 3.290 4.168 14.454 1.00 0.00 C ATOM 1245 CG LYS A 81 3.611 4.809 15.793 1.00 0.00 C ATOM 1246 CD LYS A 81 3.959 3.766 16.842 1.00 0.00 C ATOM 1247 CE LYS A 81 2.712 3.080 17.380 1.00 0.00 C ATOM 1248 NZ LYS A 81 3.003 2.282 18.603 1.00 0.00 N ATOM 0 H LYS A 81 3.370 2.533 12.583 1.00 0.00 H new ATOM 0 HA LYS A 81 4.777 4.977 13.128 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.543 4.773 13.941 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.843 3.189 14.627 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.445 5.501 15.676 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.756 5.395 16.131 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.627 3.022 16.409 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.498 4.239 17.663 1.00 0.00 H new ATOM 0 HE2 LYS A 81 1.954 3.830 17.607 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.296 2.429 16.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.129 1.830 18.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.707 1.550 18.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.377 2.908 19.345 1.00 0.00 H new ATOM 1262 N SER A 82 6.191 2.310 13.977 1.00 0.00 N ATOM 1263 CA SER A 82 7.321 1.701 14.669 1.00 0.00 C ATOM 1264 C SER A 82 8.547 1.648 13.763 1.00 0.00 C ATOM 1265 O SER A 82 9.675 1.505 14.235 1.00 0.00 O ATOM 1266 CB SER A 82 6.958 0.292 15.140 1.00 0.00 C ATOM 1267 OG SER A 82 8.007 -0.276 15.905 1.00 0.00 O ATOM 0 H SER A 82 5.829 1.761 13.197 1.00 0.00 H new ATOM 0 HA SER A 82 7.559 2.316 15.537 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.047 0.328 15.737 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.749 -0.341 14.277 1.00 0.00 H new ATOM 0 HG SER A 82 7.750 -1.176 16.195 1.00 0.00 H new ATOM 1273 N TRP A 83 8.318 1.763 12.460 1.00 0.00 N ATOM 1274 CA TRP A 83 9.403 1.728 11.486 1.00 0.00 C ATOM 1275 C TRP A 83 10.506 2.710 11.865 1.00 0.00 C ATOM 1276 O TRP A 83 10.288 3.671 12.602 1.00 0.00 O ATOM 1277 CB TRP A 83 8.873 2.051 10.088 1.00 0.00 C ATOM 1278 CG TRP A 83 8.365 0.848 9.353 1.00 0.00 C ATOM 1279 CD1 TRP A 83 8.104 -0.385 9.879 1.00 0.00 C ATOM 1280 CD2 TRP A 83 8.061 0.763 7.956 1.00 0.00 C ATOM 1281 NE1 TRP A 83 7.655 -1.231 8.894 1.00 0.00 N ATOM 1282 CE2 TRP A 83 7.618 -0.551 7.706 1.00 0.00 C ATOM 1283 CE3 TRP A 83 8.116 1.669 6.894 1.00 0.00 C ATOM 1284 CZ2 TRP A 83 7.236 -0.978 6.437 1.00 0.00 C ATOM 1285 CZ3 TRP A 83 7.737 1.243 5.635 1.00 0.00 C ATOM 1286 CH2 TRP A 83 7.300 -0.070 5.415 1.00 0.00 C ATOM 0 H TRP A 83 7.390 1.881 12.053 1.00 0.00 H new ATOM 0 HA TRP A 83 9.823 0.722 11.483 1.00 0.00 H new ATOM 0 HB2 TRP A 83 8.069 2.783 10.172 1.00 0.00 H new ATOM 0 HB3 TRP A 83 9.668 2.516 9.504 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.232 -0.655 10.917 1.00 0.00 H new ATOM 0 HE1 TRP A 83 7.392 -2.208 9.026 1.00 0.00 H new ATOM 0 HE3 TRP A 83 8.449 2.684 7.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 6.901 -1.990 6.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 7.778 1.934 4.806 1.00 0.00 H new ATOM 0 HH2 TRP A 83 7.008 -0.371 4.420 1.00 0.00 H new ATOM 1333 N HIS A 87 11.874 6.469 7.427 1.00 0.00 N ATOM 1334 CA HIS A 87 11.875 5.299 6.556 1.00 0.00 C ATOM 1335 C HIS A 87 10.486 5.054 5.974 1.00 0.00 C ATOM 1336 O HIS A 87 9.602 4.528 6.651 1.00 0.00 O ATOM 1337 CB HIS A 87 12.344 4.064 7.326 1.00 0.00 C ATOM 1338 CG HIS A 87 12.807 2.947 6.442 1.00 0.00 C ATOM 1339 ND1 HIS A 87 14.138 2.657 6.231 1.00 0.00 N ATOM 1340 CD2 HIS A 87 12.107 2.045 5.715 1.00 0.00 C ATOM 1341 CE1 HIS A 87 14.237 1.626 5.411 1.00 0.00 C ATOM 1342 NE2 HIS A 87 13.018 1.236 5.083 1.00 0.00 N ATOM 0 HA HIS A 87 12.565 5.489 5.734 1.00 0.00 H new ATOM 0 HB2 HIS A 87 13.157 4.349 7.993 1.00 0.00 H new ATOM 0 HB3 HIS A 87 11.528 3.705 7.953 1.00 0.00 H new ATOM 0 HD1 HIS A 87 14.924 3.160 6.644 1.00 0.00 H new ATOM 0 HD2 HIS A 87 11.032 1.975 5.645 1.00 0.00 H new ATOM 0 HE1 HIS A 87 15.158 1.178 5.067 1.00 0.00 H new ATOM 1351 N PHE A 88 10.301 5.438 4.715 1.00 0.00 N ATOM 1352 CA PHE A 88 9.019 5.262 4.043 1.00 0.00 C ATOM 1353 C PHE A 88 9.175 4.403 2.791 1.00 0.00 C ATOM 1354 O PHE A 88 10.287 4.185 2.310 1.00 0.00 O ATOM 1355 CB PHE A 88 8.423 6.622 3.671 1.00 0.00 C ATOM 1356 CG PHE A 88 8.012 7.441 4.861 1.00 0.00 C ATOM 1357 CD1 PHE A 88 8.964 7.964 5.721 1.00 0.00 C ATOM 1358 CD2 PHE A 88 6.673 7.688 5.119 1.00 0.00 C ATOM 1359 CE1 PHE A 88 8.589 8.719 6.816 1.00 0.00 C ATOM 1360 CE2 PHE A 88 6.292 8.443 6.213 1.00 0.00 C ATOM 1361 CZ PHE A 88 7.251 8.958 7.063 1.00 0.00 C ATOM 0 H PHE A 88 11.023 5.873 4.140 1.00 0.00 H new ATOM 0 HA PHE A 88 8.343 4.753 4.730 1.00 0.00 H new ATOM 0 HB2 PHE A 88 9.154 7.183 3.088 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.556 6.467 3.030 1.00 0.00 H new ATOM 0 HD1 PHE A 88 10.011 7.779 5.533 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.919 7.286 4.458 1.00 0.00 H new ATOM 0 HE1 PHE A 88 9.341 9.122 7.478 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.245 8.630 6.403 1.00 0.00 H new ATOM 0 HZ PHE A 88 6.955 9.546 7.919 1.00 0.00 H new ATOM 1371 N ALA A 89 8.053 3.918 2.270 1.00 0.00 N ATOM 1372 CA ALA A 89 8.064 3.085 1.075 1.00 0.00 C ATOM 1373 C ALA A 89 7.217 3.703 -0.033 1.00 0.00 C ATOM 1374 O ALA A 89 6.088 4.135 0.201 1.00 0.00 O ATOM 1375 CB ALA A 89 7.567 1.685 1.403 1.00 0.00 C ATOM 0 H ALA A 89 7.125 4.088 2.657 1.00 0.00 H new ATOM 0 HA ALA A 89 9.092 3.019 0.717 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.581 1.073 0.501 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.215 1.236 2.156 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.549 1.741 1.788 1.00 0.00 H new ATOM 1381 N THR A 90 7.770 3.742 -1.242 1.00 0.00 N ATOM 1382 CA THR A 90 7.066 4.309 -2.385 1.00 0.00 C ATOM 1383 C THR A 90 6.033 3.332 -2.934 1.00 0.00 C ATOM 1384 O THR A 90 6.383 2.295 -3.498 1.00 0.00 O ATOM 1385 CB THR A 90 8.043 4.692 -3.513 1.00 0.00 C ATOM 1386 OG1 THR A 90 9.127 5.463 -2.981 1.00 0.00 O ATOM 1387 CG2 THR A 90 7.333 5.488 -4.597 1.00 0.00 C ATOM 0 H THR A 90 8.703 3.388 -1.454 1.00 0.00 H new ATOM 0 HA THR A 90 6.561 5.208 -2.031 1.00 0.00 H new ATOM 0 HB THR A 90 8.432 3.774 -3.954 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.745 5.701 -3.704 1.00 0.00 H new ATOM 0 HG21 THR A 90 8.043 5.747 -5.382 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.527 4.888 -5.020 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.919 6.400 -4.167 1.00 0.00 H new ATOM 1395 N ILE A 91 4.759 3.670 -2.767 1.00 0.00 N ATOM 1396 CA ILE A 91 3.674 2.823 -3.248 1.00 0.00 C ATOM 1397 C ILE A 91 2.916 3.494 -4.388 1.00 0.00 C ATOM 1398 O ILE A 91 2.619 4.688 -4.333 1.00 0.00 O ATOM 1399 CB ILE A 91 2.684 2.480 -2.120 1.00 0.00 C ATOM 1400 CG1 ILE A 91 3.291 1.439 -1.177 1.00 0.00 C ATOM 1401 CG2 ILE A 91 1.372 1.976 -2.701 1.00 0.00 C ATOM 1402 CD1 ILE A 91 4.470 1.956 -0.384 1.00 0.00 C ATOM 0 H ILE A 91 4.452 4.525 -2.302 1.00 0.00 H new ATOM 0 HA ILE A 91 4.131 1.902 -3.611 1.00 0.00 H new ATOM 0 HB ILE A 91 2.481 3.385 -1.548 1.00 0.00 H new ATOM 0 HG12 ILE A 91 2.522 1.095 -0.486 1.00 0.00 H new ATOM 0 HG13 ILE A 91 3.607 0.574 -1.759 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.683 1.738 -1.891 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.934 2.748 -3.335 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.557 1.081 -3.295 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.849 1.164 0.263 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.257 2.274 -1.068 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.155 2.803 0.226 1.00 0.00 H new ATOM 1414 N THR A 92 2.604 2.718 -5.422 1.00 0.00 N ATOM 1415 CA THR A 92 1.879 3.237 -6.575 1.00 0.00 C ATOM 1416 C THR A 92 0.670 2.368 -6.901 1.00 0.00 C ATOM 1417 O THR A 92 0.801 1.311 -7.520 1.00 0.00 O ATOM 1418 CB THR A 92 2.787 3.321 -7.817 1.00 0.00 C ATOM 1419 OG1 THR A 92 3.929 4.137 -7.535 1.00 0.00 O ATOM 1420 CG2 THR A 92 2.028 3.895 -9.004 1.00 0.00 C ATOM 0 H THR A 92 2.842 1.728 -5.484 1.00 0.00 H new ATOM 0 HA THR A 92 1.541 4.239 -6.312 1.00 0.00 H new ATOM 0 HB THR A 92 3.115 2.313 -8.069 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.502 4.184 -8.329 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.689 3.945 -9.869 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.176 3.255 -9.235 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.674 4.897 -8.760 1.00 0.00 H new ATOM 1428 N LEU A 93 -0.507 2.820 -6.483 1.00 0.00 N ATOM 1429 CA LEU A 93 -1.741 2.083 -6.731 1.00 0.00 C ATOM 1430 C LEU A 93 -2.315 2.428 -8.102 1.00 0.00 C ATOM 1431 O LEU A 93 -2.112 3.530 -8.613 1.00 0.00 O ATOM 1432 CB LEU A 93 -2.771 2.392 -5.642 1.00 0.00 C ATOM 1433 CG LEU A 93 -2.552 1.699 -4.296 1.00 0.00 C ATOM 1434 CD1 LEU A 93 -3.386 2.364 -3.213 1.00 0.00 C ATOM 1435 CD2 LEU A 93 -2.888 0.219 -4.397 1.00 0.00 C ATOM 0 H LEU A 93 -0.633 3.693 -5.971 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.509 1.018 -6.712 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.783 3.469 -5.476 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.758 2.116 -6.014 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.500 1.794 -4.026 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.218 1.858 -2.262 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.097 3.411 -3.123 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.442 2.300 -3.476 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -2.726 -0.258 -3.430 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.932 0.102 -4.689 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.247 -0.249 -5.144 1.00 0.00 H new ATOM 1447 N THR A 94 -3.035 1.479 -8.692 1.00 0.00 N ATOM 1448 CA THR A 94 -3.639 1.682 -10.003 1.00 0.00 C ATOM 1449 C THR A 94 -5.045 1.096 -10.057 1.00 0.00 C ATOM 1450 O THR A 94 -5.290 -0.003 -9.559 1.00 0.00 O ATOM 1451 CB THR A 94 -2.787 1.048 -11.119 1.00 0.00 C ATOM 1452 OG1 THR A 94 -1.397 1.149 -10.792 1.00 0.00 O ATOM 1453 CG2 THR A 94 -3.050 1.728 -12.453 1.00 0.00 C ATOM 0 H THR A 94 -3.214 0.562 -8.283 1.00 0.00 H new ATOM 0 HA THR A 94 -3.691 2.759 -10.164 1.00 0.00 H new ATOM 0 HB THR A 94 -3.064 -0.003 -11.204 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.863 0.742 -11.506 1.00 0.00 H new ATOM 0 HG21 THR A 94 -2.437 1.263 -13.225 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.103 1.623 -12.713 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.798 2.786 -12.378 1.00 0.00 H new ATOM 1461 N PHE A 95 -5.967 1.836 -10.664 1.00 0.00 N ATOM 1462 CA PHE A 95 -7.350 1.389 -10.783 1.00 0.00 C ATOM 1463 C PHE A 95 -7.688 1.047 -12.231 1.00 0.00 C ATOM 1464 O PHE A 95 -7.557 1.885 -13.125 1.00 0.00 O ATOM 1465 CB PHE A 95 -8.303 2.469 -10.266 1.00 0.00 C ATOM 1466 CG PHE A 95 -7.922 3.008 -8.917 1.00 0.00 C ATOM 1467 CD1 PHE A 95 -6.771 3.761 -8.757 1.00 0.00 C ATOM 1468 CD2 PHE A 95 -8.717 2.762 -7.808 1.00 0.00 C ATOM 1469 CE1 PHE A 95 -6.418 4.258 -7.516 1.00 0.00 C ATOM 1470 CE2 PHE A 95 -8.369 3.256 -6.565 1.00 0.00 C ATOM 1471 CZ PHE A 95 -7.219 4.006 -6.419 1.00 0.00 C ATOM 0 H PHE A 95 -5.781 2.748 -11.081 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.469 0.490 -10.179 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.331 3.290 -10.982 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -9.311 2.058 -10.213 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.142 3.962 -9.611 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -9.619 2.178 -7.917 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.517 4.843 -7.404 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -8.996 3.056 -5.709 1.00 0.00 H new ATOM 0 HZ PHE A 95 -6.946 4.395 -5.449 1.00 0.00 H new ATOM 1481 N ILE A 96 -8.123 -0.188 -12.455 1.00 0.00 N ATOM 1482 CA ILE A 96 -8.481 -0.641 -13.793 1.00 0.00 C ATOM 1483 C ILE A 96 -9.975 -0.927 -13.896 1.00 0.00 C ATOM 1484 O ILE A 96 -10.623 -1.263 -12.904 1.00 0.00 O ATOM 1485 CB ILE A 96 -7.699 -1.908 -14.187 1.00 0.00 C ATOM 1486 CG1 ILE A 96 -6.200 -1.699 -13.962 1.00 0.00 C ATOM 1487 CG2 ILE A 96 -7.978 -2.274 -15.637 1.00 0.00 C ATOM 1488 CD1 ILE A 96 -5.399 -2.981 -14.004 1.00 0.00 C ATOM 0 H ILE A 96 -8.236 -0.893 -11.727 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.220 0.165 -14.479 1.00 0.00 H new ATOM 0 HB ILE A 96 -8.030 -2.733 -13.556 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.818 -1.016 -14.721 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.049 -1.217 -12.996 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -7.418 -3.171 -15.900 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -9.044 -2.461 -15.767 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.672 -1.453 -16.285 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -4.345 -2.757 -13.837 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -5.754 -3.658 -13.227 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -5.519 -3.454 -14.979 1.00 0.00 H new ATOM 1500 N ASP A 97 -10.516 -0.792 -15.102 1.00 0.00 N ATOM 1501 CA ASP A 97 -11.934 -1.039 -15.335 1.00 0.00 C ATOM 1502 C ASP A 97 -12.149 -2.403 -15.984 1.00 0.00 C ATOM 1503 O ASP A 97 -11.508 -2.736 -16.981 1.00 0.00 O ATOM 1504 CB ASP A 97 -12.526 0.059 -16.220 1.00 0.00 C ATOM 1505 CG ASP A 97 -13.801 -0.380 -16.913 1.00 0.00 C ATOM 1506 OD1 ASP A 97 -14.747 -0.790 -16.210 1.00 0.00 O ATOM 1507 OD2 ASP A 97 -13.852 -0.314 -18.160 1.00 0.00 O ATOM 0 H ASP A 97 -9.994 -0.513 -15.933 1.00 0.00 H new ATOM 0 HA ASP A 97 -12.442 -1.031 -14.371 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -12.731 0.940 -15.612 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -11.791 0.353 -16.970 1.00 0.00 H new ATOM 1512 N LYS A 98 -13.055 -3.189 -15.411 1.00 0.00 N ATOM 1513 CA LYS A 98 -13.355 -4.517 -15.933 1.00 0.00 C ATOM 1514 C LYS A 98 -14.845 -4.663 -16.224 1.00 0.00 C ATOM 1515 O LYS A 98 -15.340 -5.768 -16.439 1.00 0.00 O ATOM 1516 CB LYS A 98 -12.912 -5.591 -14.936 1.00 0.00 C ATOM 1517 CG LYS A 98 -11.488 -5.410 -14.441 1.00 0.00 C ATOM 1518 CD LYS A 98 -10.489 -6.114 -15.345 1.00 0.00 C ATOM 1519 CE LYS A 98 -9.250 -6.546 -14.577 1.00 0.00 C ATOM 1520 NZ LYS A 98 -9.521 -7.718 -13.700 1.00 0.00 N ATOM 0 H LYS A 98 -13.594 -2.929 -14.585 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.806 -4.646 -16.866 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -13.589 -5.583 -14.082 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -13.003 -6.571 -15.405 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -11.251 -4.347 -14.393 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.402 -5.802 -13.427 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.959 -6.986 -15.799 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.200 -5.448 -16.158 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.455 -6.795 -15.280 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -8.890 -5.715 -13.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -8.620 -8.138 -13.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.061 -7.410 -12.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.072 -8.426 -14.227 1.00 0.00 H new ATOM 1534 N ASN A 99 -15.555 -3.539 -16.230 1.00 0.00 N ATOM 1535 CA ASN A 99 -16.989 -3.542 -16.496 1.00 0.00 C ATOM 1536 C ASN A 99 -17.761 -4.110 -15.309 1.00 0.00 C ATOM 1537 O ASN A 99 -18.604 -4.992 -15.468 1.00 0.00 O ATOM 1538 CB ASN A 99 -17.294 -4.358 -17.754 1.00 0.00 C ATOM 1539 CG ASN A 99 -18.502 -3.833 -18.505 1.00 0.00 C ATOM 1540 OD1 ASN A 99 -18.373 -3.243 -19.577 1.00 0.00 O ATOM 1541 ND2 ASN A 99 -19.686 -4.047 -17.943 1.00 0.00 N ATOM 0 H ASN A 99 -15.161 -2.615 -16.054 1.00 0.00 H new ATOM 0 HA ASN A 99 -17.306 -2.511 -16.654 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -16.426 -4.343 -18.413 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -17.466 -5.398 -17.476 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -20.535 -3.717 -18.402 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -19.746 -4.541 -17.053 1.00 0.00 H new ATOM 1548 N GLY A 100 -17.467 -3.597 -14.118 1.00 0.00 N ATOM 1549 CA GLY A 100 -18.143 -4.064 -12.922 1.00 0.00 C ATOM 1550 C GLY A 100 -17.205 -4.185 -11.737 1.00 0.00 C ATOM 1551 O GLY A 100 -17.612 -3.981 -10.593 1.00 0.00 O ATOM 0 H GLY A 100 -16.773 -2.866 -13.960 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -18.951 -3.376 -12.673 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -18.599 -5.034 -13.121 1.00 0.00 H new ATOM 1555 N GLU A 101 -15.948 -4.519 -12.010 1.00 0.00 N ATOM 1556 CA GLU A 101 -14.952 -4.669 -10.956 1.00 0.00 C ATOM 1557 C GLU A 101 -13.719 -3.817 -11.247 1.00 0.00 C ATOM 1558 O GLU A 101 -13.500 -3.388 -12.380 1.00 0.00 O ATOM 1559 CB GLU A 101 -14.547 -6.138 -10.811 1.00 0.00 C ATOM 1560 CG GLU A 101 -15.716 -7.103 -10.907 1.00 0.00 C ATOM 1561 CD GLU A 101 -15.357 -8.502 -10.445 1.00 0.00 C ATOM 1562 OE1 GLU A 101 -14.584 -8.625 -9.472 1.00 0.00 O ATOM 1563 OE2 GLU A 101 -15.848 -9.474 -11.057 1.00 0.00 O ATOM 0 H GLU A 101 -15.595 -4.691 -12.952 1.00 0.00 H new ATOM 0 HA GLU A 101 -15.396 -4.328 -10.021 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -13.819 -6.384 -11.584 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -14.050 -6.276 -9.851 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -16.543 -6.727 -10.305 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -16.065 -7.144 -11.939 1.00 0.00 H new ATOM 1570 N THR A 102 -12.917 -3.575 -10.214 1.00 0.00 N ATOM 1571 CA THR A 102 -11.708 -2.774 -10.357 1.00 0.00 C ATOM 1572 C THR A 102 -10.483 -3.534 -9.863 1.00 0.00 C ATOM 1573 O THR A 102 -10.452 -4.006 -8.727 1.00 0.00 O ATOM 1574 CB THR A 102 -11.820 -1.446 -9.585 1.00 0.00 C ATOM 1575 OG1 THR A 102 -12.908 -0.670 -10.100 1.00 0.00 O ATOM 1576 CG2 THR A 102 -10.529 -0.649 -9.689 1.00 0.00 C ATOM 0 H THR A 102 -13.083 -3.923 -9.270 1.00 0.00 H new ATOM 0 HA THR A 102 -11.595 -2.560 -11.420 1.00 0.00 H new ATOM 0 HB THR A 102 -12.003 -1.676 -8.535 1.00 0.00 H new ATOM 0 HG1 THR A 102 -13.701 -0.806 -9.540 1.00 0.00 H new ATOM 0 HG21 THR A 102 -10.632 0.285 -9.136 1.00 0.00 H new ATOM 0 HG22 THR A 102 -9.708 -1.230 -9.270 1.00 0.00 H new ATOM 0 HG23 THR A 102 -10.320 -0.429 -10.736 1.00 0.00 H new ATOM 1584 N GLU A 103 -9.476 -3.648 -10.723 1.00 0.00 N ATOM 1585 CA GLU A 103 -8.248 -4.351 -10.372 1.00 0.00 C ATOM 1586 C GLU A 103 -7.219 -3.390 -9.783 1.00 0.00 C ATOM 1587 O GLU A 103 -6.592 -2.615 -10.506 1.00 0.00 O ATOM 1588 CB GLU A 103 -7.664 -5.049 -11.602 1.00 0.00 C ATOM 1589 CG GLU A 103 -6.426 -5.877 -11.302 1.00 0.00 C ATOM 1590 CD GLU A 103 -5.839 -6.519 -12.544 1.00 0.00 C ATOM 1591 OE1 GLU A 103 -5.973 -5.929 -13.636 1.00 0.00 O ATOM 1592 OE2 GLU A 103 -5.246 -7.612 -12.423 1.00 0.00 O ATOM 0 H GLU A 103 -9.486 -3.263 -11.667 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.492 -5.100 -9.619 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.426 -5.695 -12.038 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.415 -4.298 -12.352 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.673 -5.242 -10.835 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -6.679 -6.654 -10.581 1.00 0.00 H new ATOM 1599 N LEU A 104 -7.052 -3.446 -8.467 1.00 0.00 N ATOM 1600 CA LEU A 104 -6.100 -2.580 -7.779 1.00 0.00 C ATOM 1601 C LEU A 104 -4.699 -3.184 -7.804 1.00 0.00 C ATOM 1602 O LEU A 104 -4.405 -4.125 -7.066 1.00 0.00 O ATOM 1603 CB LEU A 104 -6.543 -2.349 -6.333 1.00 0.00 C ATOM 1604 CG LEU A 104 -5.716 -1.344 -5.531 1.00 0.00 C ATOM 1605 CD1 LEU A 104 -5.944 0.068 -6.048 1.00 0.00 C ATOM 1606 CD2 LEU A 104 -6.058 -1.433 -4.051 1.00 0.00 C ATOM 0 H LEU A 104 -7.563 -4.082 -7.854 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.073 -1.623 -8.301 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.580 -2.012 -6.341 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.523 -3.305 -5.810 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.661 -1.589 -5.656 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.347 0.770 -5.465 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.649 0.124 -7.096 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.999 0.324 -5.954 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.460 -0.711 -3.495 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -7.116 -1.214 -3.908 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.843 -2.438 -3.688 1.00 0.00 H new ATOM 1618 N CYS A 105 -3.839 -2.634 -8.654 1.00 0.00 N ATOM 1619 CA CYS A 105 -2.468 -3.118 -8.773 1.00 0.00 C ATOM 1620 C CYS A 105 -1.517 -2.269 -7.936 1.00 0.00 C ATOM 1621 O CYS A 105 -1.026 -1.236 -8.391 1.00 0.00 O ATOM 1622 CB CYS A 105 -2.027 -3.105 -10.238 1.00 0.00 C ATOM 1623 SG CYS A 105 -0.501 -4.021 -10.557 1.00 0.00 S ATOM 0 H CYS A 105 -4.066 -1.854 -9.270 1.00 0.00 H new ATOM 0 HA CYS A 105 -2.436 -4.142 -8.400 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -2.825 -3.525 -10.850 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.891 -2.071 -10.556 1.00 0.00 H new ATOM 0 HG CYS A 105 -0.211 -3.954 -11.822 1.00 0.00 H new ATOM 1629 N MET A 106 -1.264 -2.711 -6.708 1.00 0.00 N ATOM 1630 CA MET A 106 -0.372 -1.991 -5.806 1.00 0.00 C ATOM 1631 C MET A 106 1.084 -2.360 -6.072 1.00 0.00 C ATOM 1632 O MET A 106 1.415 -3.532 -6.241 1.00 0.00 O ATOM 1633 CB MET A 106 -0.730 -2.296 -4.350 1.00 0.00 C ATOM 1634 CG MET A 106 -0.002 -1.415 -3.348 1.00 0.00 C ATOM 1635 SD MET A 106 1.762 -1.778 -3.257 1.00 0.00 S ATOM 1636 CE MET A 106 1.865 -2.555 -1.647 1.00 0.00 C ATOM 0 H MET A 106 -1.664 -3.563 -6.315 1.00 0.00 H new ATOM 0 HA MET A 106 -0.496 -0.923 -5.987 1.00 0.00 H new ATOM 0 HB2 MET A 106 -1.805 -2.174 -4.215 1.00 0.00 H new ATOM 0 HB3 MET A 106 -0.499 -3.340 -4.139 1.00 0.00 H new ATOM 0 HG2 MET A 106 -0.140 -0.369 -3.622 1.00 0.00 H new ATOM 0 HG3 MET A 106 -0.448 -1.548 -2.362 1.00 0.00 H new ATOM 0 HE1 MET A 106 2.825 -2.318 -1.189 1.00 0.00 H new ATOM 0 HE2 MET A 106 1.060 -2.185 -1.012 1.00 0.00 H new ATOM 0 HE3 MET A 106 1.773 -3.635 -1.758 1.00 0.00 H new ATOM 1646 N GLU A 107 1.948 -1.350 -6.108 1.00 0.00 N ATOM 1647 CA GLU A 107 3.368 -1.570 -6.355 1.00 0.00 C ATOM 1648 C GLU A 107 4.221 -0.763 -5.380 1.00 0.00 C ATOM 1649 O GLU A 107 4.466 0.424 -5.588 1.00 0.00 O ATOM 1650 CB GLU A 107 3.723 -1.192 -7.794 1.00 0.00 C ATOM 1651 CG GLU A 107 4.896 -1.977 -8.358 1.00 0.00 C ATOM 1652 CD GLU A 107 5.494 -1.327 -9.591 1.00 0.00 C ATOM 1653 OE1 GLU A 107 4.731 -1.033 -10.535 1.00 0.00 O ATOM 1654 OE2 GLU A 107 6.724 -1.112 -9.611 1.00 0.00 O ATOM 0 H GLU A 107 1.690 -0.373 -5.969 1.00 0.00 H new ATOM 0 HA GLU A 107 3.577 -2.629 -6.204 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.851 -1.352 -8.428 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.956 -0.128 -7.834 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.666 -2.073 -7.593 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.567 -2.986 -8.607 1.00 0.00 H new ATOM 1661 N GLY A 108 4.671 -1.418 -4.314 1.00 0.00 N ATOM 1662 CA GLY A 108 5.491 -0.747 -3.322 1.00 0.00 C ATOM 1663 C GLY A 108 6.951 -1.146 -3.410 1.00 0.00 C ATOM 1664 O GLY A 108 7.269 -2.307 -3.670 1.00 0.00 O ATOM 0 H GLY A 108 4.482 -2.401 -4.120 1.00 0.00 H new ATOM 0 HA2 GLY A 108 5.404 0.332 -3.453 1.00 0.00 H new ATOM 0 HA3 GLY A 108 5.114 -0.979 -2.326 1.00 0.00 H new ATOM 1668 N ARG A 109 7.840 -0.183 -3.194 1.00 0.00 N ATOM 1669 CA ARG A 109 9.274 -0.439 -3.254 1.00 0.00 C ATOM 1670 C ARG A 109 10.012 0.344 -2.171 1.00 0.00 C ATOM 1671 O ARG A 109 10.068 1.572 -2.208 1.00 0.00 O ATOM 1672 CB ARG A 109 9.824 -0.067 -4.632 1.00 0.00 C ATOM 1673 CG ARG A 109 9.357 1.293 -5.126 1.00 0.00 C ATOM 1674 CD ARG A 109 9.246 1.326 -6.643 1.00 0.00 C ATOM 1675 NE ARG A 109 10.491 1.754 -7.274 1.00 0.00 N ATOM 1676 CZ ARG A 109 10.797 1.502 -8.542 1.00 0.00 C ATOM 1677 NH1 ARG A 109 9.952 0.828 -9.310 1.00 0.00 N ATOM 1678 NH2 ARG A 109 11.950 1.924 -9.044 1.00 0.00 N ATOM 0 H ARG A 109 7.593 0.782 -2.976 1.00 0.00 H new ATOM 0 HA ARG A 109 9.435 -1.503 -3.082 1.00 0.00 H new ATOM 0 HB2 ARG A 109 10.913 -0.076 -4.594 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.524 -0.829 -5.352 1.00 0.00 H new ATOM 0 HG2 ARG A 109 8.389 1.529 -4.684 1.00 0.00 H new ATOM 0 HG3 ARG A 109 10.055 2.061 -4.794 1.00 0.00 H new ATOM 0 HD2 ARG A 109 8.977 0.335 -7.008 1.00 0.00 H new ATOM 0 HD3 ARG A 109 8.442 2.002 -6.933 1.00 0.00 H new ATOM 0 HE ARG A 109 11.163 2.275 -6.710 1.00 0.00 H new ATOM 0 HH11 ARG A 109 9.065 0.502 -8.928 1.00 0.00 H new ATOM 0 HH12 ARG A 109 10.189 0.636 -10.283 1.00 0.00 H new ATOM 0 HH21 ARG A 109 12.603 2.443 -8.456 1.00 0.00 H new ATOM 0 HH22 ARG A 109 12.184 1.730 -10.018 1.00 0.00 H new ATOM 1692 N GLY A 110 10.576 -0.378 -1.207 1.00 0.00 N ATOM 1693 CA GLY A 110 11.302 0.266 -0.128 1.00 0.00 C ATOM 1694 C GLY A 110 10.898 -0.259 1.236 1.00 0.00 C ATOM 1695 O GLY A 110 11.317 0.276 2.263 1.00 0.00 O ATOM 0 H GLY A 110 10.543 -1.396 -1.154 1.00 0.00 H new ATOM 0 HA2 GLY A 110 12.372 0.112 -0.271 1.00 0.00 H new ATOM 0 HA3 GLY A 110 11.127 1.341 -0.167 1.00 0.00 H new ATOM 1699 N ILE A 111 10.083 -1.308 1.247 1.00 0.00 N ATOM 1700 CA ILE A 111 9.623 -1.905 2.495 1.00 0.00 C ATOM 1701 C ILE A 111 10.752 -2.653 3.195 1.00 0.00 C ATOM 1702 O ILE A 111 11.406 -3.522 2.619 1.00 0.00 O ATOM 1703 CB ILE A 111 8.450 -2.875 2.256 1.00 0.00 C ATOM 1704 CG1 ILE A 111 7.164 -2.095 1.979 1.00 0.00 C ATOM 1705 CG2 ILE A 111 8.271 -3.794 3.455 1.00 0.00 C ATOM 1706 CD1 ILE A 111 6.967 -1.752 0.519 1.00 0.00 C ATOM 0 H ILE A 111 9.727 -1.762 0.406 1.00 0.00 H new ATOM 0 HA ILE A 111 9.284 -1.087 3.130 1.00 0.00 H new ATOM 0 HB ILE A 111 8.676 -3.488 1.383 1.00 0.00 H new ATOM 0 HG12 ILE A 111 6.312 -2.681 2.324 1.00 0.00 H new ATOM 0 HG13 ILE A 111 7.175 -1.174 2.562 1.00 0.00 H new ATOM 0 HG21 ILE A 111 7.439 -4.474 3.272 1.00 0.00 H new ATOM 0 HG22 ILE A 111 9.183 -4.371 3.611 1.00 0.00 H new ATOM 0 HG23 ILE A 111 8.063 -3.197 4.343 1.00 0.00 H new ATOM 0 HD11 ILE A 111 6.035 -1.199 0.398 1.00 0.00 H new ATOM 0 HD12 ILE A 111 7.800 -1.140 0.174 1.00 0.00 H new ATOM 0 HD13 ILE A 111 6.924 -2.670 -0.068 1.00 0.00 H new ATOM 1718 N PRO A 112 10.987 -2.310 4.470 1.00 0.00 N ATOM 1719 CA PRO A 112 12.036 -2.938 5.279 1.00 0.00 C ATOM 1720 C PRO A 112 12.005 -4.460 5.188 1.00 0.00 C ATOM 1721 O PRO A 112 10.954 -5.080 5.351 1.00 0.00 O ATOM 1722 CB PRO A 112 11.709 -2.481 6.702 1.00 0.00 C ATOM 1723 CG PRO A 112 10.974 -1.197 6.528 1.00 0.00 C ATOM 1724 CD PRO A 112 10.247 -1.282 5.221 1.00 0.00 C ATOM 0 HA PRO A 112 13.034 -2.653 4.944 1.00 0.00 H new ATOM 0 HB2 PRO A 112 11.100 -3.218 7.224 1.00 0.00 H new ATOM 0 HB3 PRO A 112 12.615 -2.342 7.291 1.00 0.00 H new ATOM 0 HG2 PRO A 112 10.274 -1.039 7.349 1.00 0.00 H new ATOM 0 HG3 PRO A 112 11.665 -0.354 6.531 1.00 0.00 H new ATOM 0 HD2 PRO A 112 9.204 -1.564 5.362 1.00 0.00 H new ATOM 0 HD3 PRO A 112 10.251 -0.325 4.699 1.00 0.00 H new ATOM 1732 N ALA A 113 13.163 -5.057 4.926 1.00 0.00 N ATOM 1733 CA ALA A 113 13.268 -6.507 4.816 1.00 0.00 C ATOM 1734 C ALA A 113 12.808 -7.190 6.100 1.00 0.00 C ATOM 1735 O ALA A 113 12.124 -8.213 6.077 1.00 0.00 O ATOM 1736 CB ALA A 113 14.697 -6.909 4.485 1.00 0.00 C ATOM 0 H ALA A 113 14.042 -4.559 4.786 1.00 0.00 H new ATOM 0 HA ALA A 113 12.614 -6.833 4.007 1.00 0.00 H new ATOM 0 HB1 ALA A 113 14.761 -7.994 4.406 1.00 0.00 H new ATOM 0 HB2 ALA A 113 14.992 -6.458 3.537 1.00 0.00 H new ATOM 0 HB3 ALA A 113 15.364 -6.563 5.274 1.00 0.00 H new ATOM 1742 N PRO A 114 13.193 -6.613 7.248 1.00 0.00 N ATOM 1743 CA PRO A 114 12.831 -7.149 8.564 1.00 0.00 C ATOM 1744 C PRO A 114 11.368 -6.898 8.910 1.00 0.00 C ATOM 1745 O PRO A 114 10.885 -7.332 9.955 1.00 0.00 O ATOM 1746 CB PRO A 114 13.747 -6.385 9.523 1.00 0.00 C ATOM 1747 CG PRO A 114 14.062 -5.114 8.813 1.00 0.00 C ATOM 1748 CD PRO A 114 14.009 -5.392 7.351 1.00 0.00 C ATOM 0 HA PRO A 114 12.951 -8.231 8.610 1.00 0.00 H new ATOM 0 HB2 PRO A 114 13.252 -6.194 10.475 1.00 0.00 H new ATOM 0 HB3 PRO A 114 14.652 -6.951 9.742 1.00 0.00 H new ATOM 0 HG2 PRO A 114 13.346 -4.337 9.082 1.00 0.00 H new ATOM 0 HG3 PRO A 114 15.049 -4.750 9.098 1.00 0.00 H new ATOM 0 HD2 PRO A 114 13.559 -4.564 6.804 1.00 0.00 H new ATOM 0 HD3 PRO A 114 15.006 -5.543 6.937 1.00 0.00 H new ATOM 1756 N GLU A 115 10.667 -6.194 8.026 1.00 0.00 N ATOM 1757 CA GLU A 115 9.258 -5.885 8.240 1.00 0.00 C ATOM 1758 C GLU A 115 8.410 -6.373 7.069 1.00 0.00 C ATOM 1759 O GLU A 115 7.186 -6.447 7.165 1.00 0.00 O ATOM 1760 CB GLU A 115 9.067 -4.379 8.430 1.00 0.00 C ATOM 1761 CG GLU A 115 10.000 -3.773 9.465 1.00 0.00 C ATOM 1762 CD GLU A 115 9.439 -3.850 10.872 1.00 0.00 C ATOM 1763 OE1 GLU A 115 8.199 -3.851 11.016 1.00 0.00 O ATOM 1764 OE2 GLU A 115 10.240 -3.908 11.828 1.00 0.00 O ATOM 0 H GLU A 115 11.052 -5.827 7.155 1.00 0.00 H new ATOM 0 HA GLU A 115 8.932 -6.402 9.142 1.00 0.00 H new ATOM 0 HB2 GLU A 115 9.223 -3.878 7.475 1.00 0.00 H new ATOM 0 HB3 GLU A 115 8.036 -4.187 8.726 1.00 0.00 H new ATOM 0 HG2 GLU A 115 10.959 -4.290 9.431 1.00 0.00 H new ATOM 0 HG3 GLU A 115 10.191 -2.730 9.210 1.00 0.00 H new ATOM 1771 N GLU A 116 9.072 -6.703 5.964 1.00 0.00 N ATOM 1772 CA GLU A 116 8.379 -7.182 4.774 1.00 0.00 C ATOM 1773 C GLU A 116 7.142 -7.992 5.153 1.00 0.00 C ATOM 1774 O GLU A 116 6.016 -7.610 4.836 1.00 0.00 O ATOM 1775 CB GLU A 116 9.318 -8.035 3.918 1.00 0.00 C ATOM 1776 CG GLU A 116 8.689 -8.518 2.621 1.00 0.00 C ATOM 1777 CD GLU A 116 9.623 -9.398 1.813 1.00 0.00 C ATOM 1778 OE1 GLU A 116 10.842 -9.126 1.813 1.00 0.00 O ATOM 1779 OE2 GLU A 116 9.135 -10.358 1.181 1.00 0.00 O ATOM 0 H GLU A 116 10.086 -6.647 5.869 1.00 0.00 H new ATOM 0 HA GLU A 116 8.061 -6.314 4.197 1.00 0.00 H new ATOM 0 HB2 GLU A 116 10.211 -7.455 3.685 1.00 0.00 H new ATOM 0 HB3 GLU A 116 9.641 -8.899 4.499 1.00 0.00 H new ATOM 0 HG2 GLU A 116 7.778 -9.073 2.847 1.00 0.00 H new ATOM 0 HG3 GLU A 116 8.397 -7.657 2.020 1.00 0.00 H new ATOM 1786 N GLU A 117 7.362 -9.113 5.833 1.00 0.00 N ATOM 1787 CA GLU A 117 6.266 -9.978 6.254 1.00 0.00 C ATOM 1788 C GLU A 117 5.182 -9.175 6.967 1.00 0.00 C ATOM 1789 O GLU A 117 4.090 -8.977 6.434 1.00 0.00 O ATOM 1790 CB GLU A 117 6.785 -11.084 7.175 1.00 0.00 C ATOM 1791 CG GLU A 117 5.682 -11.882 7.850 1.00 0.00 C ATOM 1792 CD GLU A 117 5.283 -11.304 9.194 1.00 0.00 C ATOM 1793 OE1 GLU A 117 6.108 -11.352 10.130 1.00 0.00 O ATOM 1794 OE2 GLU A 117 4.145 -10.803 9.310 1.00 0.00 O ATOM 0 H GLU A 117 8.288 -9.443 6.104 1.00 0.00 H new ATOM 0 HA GLU A 117 5.832 -10.431 5.363 1.00 0.00 H new ATOM 0 HB2 GLU A 117 7.411 -11.763 6.596 1.00 0.00 H new ATOM 0 HB3 GLU A 117 7.421 -10.639 7.941 1.00 0.00 H new ATOM 0 HG2 GLU A 117 4.809 -11.912 7.198 1.00 0.00 H new ATOM 0 HG3 GLU A 117 6.014 -12.911 7.985 1.00 0.00 H new ATOM 1801 N ARG A 118 5.492 -8.715 8.174 1.00 0.00 N ATOM 1802 CA ARG A 118 4.545 -7.934 8.961 1.00 0.00 C ATOM 1803 C ARG A 118 3.778 -6.957 8.075 1.00 0.00 C ATOM 1804 O ARG A 118 2.552 -7.024 7.974 1.00 0.00 O ATOM 1805 CB ARG A 118 5.275 -7.171 10.068 1.00 0.00 C ATOM 1806 CG ARG A 118 4.361 -6.293 10.907 1.00 0.00 C ATOM 1807 CD ARG A 118 5.096 -5.072 11.438 1.00 0.00 C ATOM 1808 NE ARG A 118 4.177 -4.004 11.820 1.00 0.00 N ATOM 1809 CZ ARG A 118 4.507 -3.005 12.631 1.00 0.00 C ATOM 1810 NH1 ARG A 118 5.729 -2.938 13.143 1.00 0.00 N ATOM 1811 NH2 ARG A 118 3.615 -2.070 12.932 1.00 0.00 N ATOM 0 H ARG A 118 6.392 -8.869 8.629 1.00 0.00 H new ATOM 0 HA ARG A 118 3.832 -8.623 9.414 1.00 0.00 H new ATOM 0 HB2 ARG A 118 5.777 -7.886 10.720 1.00 0.00 H new ATOM 0 HB3 ARG A 118 6.050 -6.550 9.619 1.00 0.00 H new ATOM 0 HG2 ARG A 118 3.509 -5.974 10.306 1.00 0.00 H new ATOM 0 HG3 ARG A 118 3.964 -6.871 11.741 1.00 0.00 H new ATOM 0 HD2 ARG A 118 5.698 -5.358 12.300 1.00 0.00 H new ATOM 0 HD3 ARG A 118 5.784 -4.704 10.677 1.00 0.00 H new ATOM 0 HE ARG A 118 3.229 -4.026 11.443 1.00 0.00 H new ATOM 0 HH11 ARG A 118 6.418 -3.655 12.914 1.00 0.00 H new ATOM 0 HH12 ARG A 118 5.980 -2.170 13.765 1.00 0.00 H new ATOM 0 HH21 ARG A 118 2.674 -2.118 12.541 1.00 0.00 H new ATOM 0 HH22 ARG A 118 3.870 -1.304 13.555 1.00 0.00 H new ATOM 1825 N THR A 119 4.507 -6.048 7.436 1.00 0.00 N ATOM 1826 CA THR A 119 3.897 -5.056 6.560 1.00 0.00 C ATOM 1827 C THR A 119 2.753 -5.662 5.755 1.00 0.00 C ATOM 1828 O THR A 119 1.584 -5.355 5.991 1.00 0.00 O ATOM 1829 CB THR A 119 4.929 -4.452 5.590 1.00 0.00 C ATOM 1830 OG1 THR A 119 6.116 -4.086 6.302 1.00 0.00 O ATOM 1831 CG2 THR A 119 4.358 -3.230 4.885 1.00 0.00 C ATOM 0 H THR A 119 5.522 -5.978 7.509 1.00 0.00 H new ATOM 0 HA THR A 119 3.507 -4.266 7.202 1.00 0.00 H new ATOM 0 HB THR A 119 5.173 -5.204 4.840 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.637 -4.891 6.506 1.00 0.00 H new ATOM 0 HG21 THR A 119 5.105 -2.820 4.205 1.00 0.00 H new ATOM 0 HG22 THR A 119 3.471 -3.517 4.320 1.00 0.00 H new ATOM 0 HG23 THR A 119 4.088 -2.476 5.625 1.00 0.00 H new ATOM 1839 N ARG A 120 3.097 -6.526 4.806 1.00 0.00 N ATOM 1840 CA ARG A 120 2.098 -7.175 3.965 1.00 0.00 C ATOM 1841 C ARG A 120 1.006 -7.816 4.816 1.00 0.00 C ATOM 1842 O ARG A 120 -0.178 -7.731 4.490 1.00 0.00 O ATOM 1843 CB ARG A 120 2.757 -8.234 3.079 1.00 0.00 C ATOM 1844 CG ARG A 120 2.058 -8.433 1.745 1.00 0.00 C ATOM 1845 CD ARG A 120 2.784 -9.453 0.881 1.00 0.00 C ATOM 1846 NE ARG A 120 1.887 -10.097 -0.075 1.00 0.00 N ATOM 1847 CZ ARG A 120 2.201 -11.197 -0.750 1.00 0.00 C ATOM 1848 NH1 ARG A 120 3.383 -11.772 -0.574 1.00 0.00 N ATOM 1849 NH2 ARG A 120 1.332 -11.725 -1.602 1.00 0.00 N ATOM 0 H ARG A 120 4.060 -6.793 4.600 1.00 0.00 H new ATOM 0 HA ARG A 120 1.642 -6.414 3.332 1.00 0.00 H new ATOM 0 HB2 ARG A 120 3.794 -7.950 2.898 1.00 0.00 H new ATOM 0 HB3 ARG A 120 2.776 -9.183 3.615 1.00 0.00 H new ATOM 0 HG2 ARG A 120 1.033 -8.763 1.916 1.00 0.00 H new ATOM 0 HG3 ARG A 120 2.002 -7.481 1.217 1.00 0.00 H new ATOM 0 HD2 ARG A 120 3.595 -8.961 0.343 1.00 0.00 H new ATOM 0 HD3 ARG A 120 3.238 -10.211 1.519 1.00 0.00 H new ATOM 0 HE ARG A 120 0.970 -9.679 -0.233 1.00 0.00 H new ATOM 0 HH11 ARG A 120 4.053 -11.370 0.081 1.00 0.00 H new ATOM 0 HH12 ARG A 120 3.622 -12.617 -1.094 1.00 0.00 H new ATOM 0 HH21 ARG A 120 0.422 -11.286 -1.739 1.00 0.00 H new ATOM 0 HH22 ARG A 120 1.574 -12.570 -2.120 1.00 0.00 H new ATOM 1863 N GLN A 121 1.412 -8.458 5.907 1.00 0.00 N ATOM 1864 CA GLN A 121 0.468 -9.114 6.803 1.00 0.00 C ATOM 1865 C GLN A 121 -0.548 -8.116 7.350 1.00 0.00 C ATOM 1866 O GLN A 121 -1.720 -8.443 7.529 1.00 0.00 O ATOM 1867 CB GLN A 121 1.212 -9.786 7.959 1.00 0.00 C ATOM 1868 CG GLN A 121 2.025 -10.999 7.535 1.00 0.00 C ATOM 1869 CD GLN A 121 2.061 -12.078 8.599 1.00 0.00 C ATOM 1870 OE1 GLN A 121 1.702 -11.841 9.753 1.00 0.00 O ATOM 1871 NE2 GLN A 121 2.495 -13.273 8.216 1.00 0.00 N ATOM 0 H GLN A 121 2.388 -8.538 6.191 1.00 0.00 H new ATOM 0 HA GLN A 121 -0.067 -9.874 6.233 1.00 0.00 H new ATOM 0 HB2 GLN A 121 1.876 -9.058 8.425 1.00 0.00 H new ATOM 0 HB3 GLN A 121 0.490 -10.090 8.717 1.00 0.00 H new ATOM 0 HG2 GLN A 121 1.604 -11.412 6.618 1.00 0.00 H new ATOM 0 HG3 GLN A 121 3.044 -10.687 7.305 1.00 0.00 H new ATOM 0 HE21 GLN A 121 2.783 -13.425 7.249 1.00 0.00 H new ATOM 0 HE22 GLN A 121 2.541 -14.039 8.888 1.00 0.00 H new ATOM 1880 N GLY A 122 -0.089 -6.896 7.613 1.00 0.00 N ATOM 1881 CA GLY A 122 -0.970 -5.868 8.136 1.00 0.00 C ATOM 1882 C GLY A 122 -1.276 -4.791 7.115 1.00 0.00 C ATOM 1883 O GLY A 122 -1.738 -3.706 7.467 1.00 0.00 O ATOM 0 H GLY A 122 0.877 -6.601 7.473 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -1.902 -6.326 8.466 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.511 -5.412 9.013 1.00 0.00 H new ATOM 1887 N TRP A 123 -1.015 -5.089 5.847 1.00 0.00 N ATOM 1888 CA TRP A 123 -1.264 -4.135 4.772 1.00 0.00 C ATOM 1889 C TRP A 123 -2.657 -4.328 4.184 1.00 0.00 C ATOM 1890 O TRP A 123 -3.523 -3.465 4.323 1.00 0.00 O ATOM 1891 CB TRP A 123 -0.209 -4.286 3.675 1.00 0.00 C ATOM 1892 CG TRP A 123 0.133 -2.994 2.997 1.00 0.00 C ATOM 1893 CD1 TRP A 123 1.110 -2.112 3.359 1.00 0.00 C ATOM 1894 CD2 TRP A 123 -0.503 -2.439 1.841 1.00 0.00 C ATOM 1895 NE1 TRP A 123 1.120 -1.041 2.498 1.00 0.00 N ATOM 1896 CE2 TRP A 123 0.140 -1.218 1.557 1.00 0.00 C ATOM 1897 CE3 TRP A 123 -1.552 -2.854 1.016 1.00 0.00 C ATOM 1898 CZ2 TRP A 123 -0.233 -0.411 0.485 1.00 0.00 C ATOM 1899 CZ3 TRP A 123 -1.922 -2.052 -0.047 1.00 0.00 C ATOM 1900 CH2 TRP A 123 -1.263 -0.843 -0.305 1.00 0.00 C ATOM 0 H TRP A 123 -0.632 -5.982 5.538 1.00 0.00 H new ATOM 0 HA TRP A 123 -1.203 -3.130 5.190 1.00 0.00 H new ATOM 0 HB2 TRP A 123 0.696 -4.711 4.108 1.00 0.00 H new ATOM 0 HB3 TRP A 123 -0.569 -4.995 2.930 1.00 0.00 H new ATOM 0 HD1 TRP A 123 1.777 -2.238 4.199 1.00 0.00 H new ATOM 0 HE1 TRP A 123 1.754 -0.244 2.551 1.00 0.00 H new ATOM 0 HE3 TRP A 123 -2.065 -3.785 1.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 0.273 0.522 0.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 -2.733 -2.363 -0.689 1.00 0.00 H new ATOM 0 HH2 TRP A 123 -1.574 -0.240 -1.145 1.00 0.00 H new ATOM 1911 N GLN A 124 -2.866 -5.466 3.529 1.00 0.00 N ATOM 1912 CA GLN A 124 -4.155 -5.770 2.920 1.00 0.00 C ATOM 1913 C GLN A 124 -5.218 -6.010 3.987 1.00 0.00 C ATOM 1914 O GLN A 124 -6.383 -5.654 3.808 1.00 0.00 O ATOM 1915 CB GLN A 124 -4.039 -6.998 2.015 1.00 0.00 C ATOM 1916 CG GLN A 124 -2.887 -6.917 1.026 1.00 0.00 C ATOM 1917 CD GLN A 124 -1.577 -7.400 1.615 1.00 0.00 C ATOM 1918 OE1 GLN A 124 -0.565 -6.699 1.566 1.00 0.00 O ATOM 1919 NE2 GLN A 124 -1.587 -8.603 2.177 1.00 0.00 N ATOM 0 H GLN A 124 -2.160 -6.192 3.407 1.00 0.00 H new ATOM 0 HA GLN A 124 -4.456 -4.912 2.319 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -3.913 -7.886 2.635 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -4.972 -7.123 1.465 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -3.127 -7.513 0.145 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -2.772 -5.886 0.691 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -2.448 -9.150 2.196 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -0.734 -8.980 2.590 1.00 0.00 H new ATOM 1928 N ARG A 125 -4.809 -6.615 5.097 1.00 0.00 N ATOM 1929 CA ARG A 125 -5.727 -6.904 6.193 1.00 0.00 C ATOM 1930 C ARG A 125 -6.622 -5.702 6.483 1.00 0.00 C ATOM 1931 O ARG A 125 -7.713 -5.847 7.034 1.00 0.00 O ATOM 1932 CB ARG A 125 -4.947 -7.288 7.452 1.00 0.00 C ATOM 1933 CG ARG A 125 -4.676 -8.779 7.568 1.00 0.00 C ATOM 1934 CD ARG A 125 -5.927 -9.543 7.972 1.00 0.00 C ATOM 1935 NE ARG A 125 -5.802 -10.975 7.714 1.00 0.00 N ATOM 1936 CZ ARG A 125 -6.841 -11.787 7.553 1.00 0.00 C ATOM 1937 NH1 ARG A 125 -8.076 -11.309 7.623 1.00 0.00 N ATOM 1938 NH2 ARG A 125 -6.645 -13.078 7.321 1.00 0.00 N ATOM 0 H ARG A 125 -3.848 -6.915 5.262 1.00 0.00 H new ATOM 0 HA ARG A 125 -6.357 -7.742 5.895 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -3.997 -6.753 7.458 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -5.504 -6.959 8.329 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -4.309 -9.158 6.614 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -3.890 -8.951 8.303 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -6.124 -9.382 9.032 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -6.784 -9.150 7.425 1.00 0.00 H new ATOM 0 HE ARG A 125 -4.865 -11.374 7.654 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -8.229 -10.316 7.801 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -8.873 -11.934 7.499 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -5.696 -13.448 7.266 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -7.443 -13.701 7.198 1.00 0.00 H new ATOM 1952 N TYR A 126 -6.152 -4.517 6.109 1.00 0.00 N ATOM 1953 CA TYR A 126 -6.908 -3.291 6.332 1.00 0.00 C ATOM 1954 C TYR A 126 -7.177 -2.570 5.015 1.00 0.00 C ATOM 1955 O TYR A 126 -8.234 -1.966 4.829 1.00 0.00 O ATOM 1956 CB TYR A 126 -6.150 -2.366 7.286 1.00 0.00 C ATOM 1957 CG TYR A 126 -5.309 -3.103 8.304 1.00 0.00 C ATOM 1958 CD1 TYR A 126 -5.807 -4.216 8.971 1.00 0.00 C ATOM 1959 CD2 TYR A 126 -4.017 -2.688 8.598 1.00 0.00 C ATOM 1960 CE1 TYR A 126 -5.043 -4.892 9.902 1.00 0.00 C ATOM 1961 CE2 TYR A 126 -3.244 -3.358 9.527 1.00 0.00 C ATOM 1962 CZ TYR A 126 -3.762 -4.460 10.176 1.00 0.00 C ATOM 1963 OH TYR A 126 -2.997 -5.131 11.102 1.00 0.00 O ATOM 0 H TYR A 126 -5.251 -4.380 5.650 1.00 0.00 H new ATOM 0 HA TYR A 126 -7.864 -3.561 6.780 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -5.506 -1.707 6.704 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -6.866 -1.732 7.809 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -6.809 -4.558 8.758 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -3.609 -1.826 8.091 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -5.446 -5.754 10.413 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -2.241 -3.021 9.744 1.00 0.00 H new ATOM 0 HH TYR A 126 -2.120 -4.699 11.176 1.00 0.00 H new ATOM 1973 N TYR A 127 -6.214 -2.639 4.103 1.00 0.00 N ATOM 1974 CA TYR A 127 -6.345 -1.992 2.803 1.00 0.00 C ATOM 1975 C TYR A 127 -7.484 -2.611 1.998 1.00 0.00 C ATOM 1976 O TYR A 127 -8.500 -1.966 1.741 1.00 0.00 O ATOM 1977 CB TYR A 127 -5.035 -2.102 2.021 1.00 0.00 C ATOM 1978 CG TYR A 127 -4.182 -0.856 2.089 1.00 0.00 C ATOM 1979 CD1 TYR A 127 -3.871 -0.269 3.309 1.00 0.00 C ATOM 1980 CD2 TYR A 127 -3.686 -0.265 0.933 1.00 0.00 C ATOM 1981 CE1 TYR A 127 -3.093 0.871 3.377 1.00 0.00 C ATOM 1982 CE2 TYR A 127 -2.906 0.873 0.991 1.00 0.00 C ATOM 1983 CZ TYR A 127 -2.612 1.438 2.215 1.00 0.00 C ATOM 1984 OH TYR A 127 -1.836 2.572 2.277 1.00 0.00 O ATOM 0 H TYR A 127 -5.334 -3.136 4.240 1.00 0.00 H new ATOM 0 HA TYR A 127 -6.573 -0.940 2.971 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -4.462 -2.946 2.406 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -5.262 -2.320 0.977 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -4.244 -0.712 4.221 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -3.915 -0.703 -0.027 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -2.863 1.315 4.334 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -2.528 1.319 0.083 1.00 0.00 H new ATOM 0 HH TYR A 127 -1.167 2.472 2.986 1.00 0.00 H new ATOM 1994 N PHE A 128 -7.307 -3.868 1.605 1.00 0.00 N ATOM 1995 CA PHE A 128 -8.318 -4.576 0.829 1.00 0.00 C ATOM 1996 C PHE A 128 -9.241 -5.378 1.743 1.00 0.00 C ATOM 1997 O PHE A 128 -10.427 -5.076 1.863 1.00 0.00 O ATOM 1998 CB PHE A 128 -7.654 -5.507 -0.187 1.00 0.00 C ATOM 1999 CG PHE A 128 -6.421 -4.924 -0.816 1.00 0.00 C ATOM 2000 CD1 PHE A 128 -6.247 -3.552 -0.889 1.00 0.00 C ATOM 2001 CD2 PHE A 128 -5.436 -5.749 -1.336 1.00 0.00 C ATOM 2002 CE1 PHE A 128 -5.113 -3.012 -1.468 1.00 0.00 C ATOM 2003 CE2 PHE A 128 -4.300 -5.215 -1.914 1.00 0.00 C ATOM 2004 CZ PHE A 128 -4.139 -3.845 -1.982 1.00 0.00 C ATOM 0 H PHE A 128 -6.473 -4.417 1.811 1.00 0.00 H new ATOM 0 HA PHE A 128 -8.915 -3.836 0.296 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -7.393 -6.443 0.306 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -8.372 -5.749 -0.970 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -7.006 -2.896 -0.489 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -5.558 -6.821 -1.289 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -4.989 -1.940 -1.518 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -3.538 -5.869 -2.312 1.00 0.00 H new ATOM 0 HZ PHE A 128 -3.253 -3.426 -2.436 1.00 0.00 H new ATOM 2014 N GLU A 129 -8.686 -6.402 2.383 1.00 0.00 N ATOM 2015 CA GLU A 129 -9.459 -7.249 3.285 1.00 0.00 C ATOM 2016 C GLU A 129 -10.506 -6.431 4.035 1.00 0.00 C ATOM 2017 O GLU A 129 -11.575 -6.934 4.376 1.00 0.00 O ATOM 2018 CB GLU A 129 -8.533 -7.950 4.281 1.00 0.00 C ATOM 2019 CG GLU A 129 -7.527 -8.881 3.626 1.00 0.00 C ATOM 2020 CD GLU A 129 -8.184 -10.074 2.960 1.00 0.00 C ATOM 2021 OE1 GLU A 129 -8.770 -9.896 1.871 1.00 0.00 O ATOM 2022 OE2 GLU A 129 -8.113 -11.184 3.526 1.00 0.00 O ATOM 0 H GLU A 129 -7.705 -6.665 2.294 1.00 0.00 H new ATOM 0 HA GLU A 129 -9.972 -8.001 2.686 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -7.996 -7.196 4.857 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -9.137 -8.520 4.987 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -6.953 -8.326 2.884 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -6.820 -9.233 4.378 1.00 0.00 H new ATOM 2029 N GLY A 130 -10.189 -5.164 4.288 1.00 0.00 N ATOM 2030 CA GLY A 130 -11.112 -4.297 4.997 1.00 0.00 C ATOM 2031 C GLY A 130 -12.212 -3.764 4.100 1.00 0.00 C ATOM 2032 O GLY A 130 -13.375 -4.140 4.244 1.00 0.00 O ATOM 0 H GLY A 130 -9.311 -4.723 4.015 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -11.558 -4.847 5.826 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -10.562 -3.461 5.428 1.00 0.00 H new ATOM 2036 N ILE A 131 -11.844 -2.886 3.173 1.00 0.00 N ATOM 2037 CA ILE A 131 -12.809 -2.301 2.250 1.00 0.00 C ATOM 2038 C ILE A 131 -13.700 -3.374 1.634 1.00 0.00 C ATOM 2039 O ILE A 131 -14.909 -3.189 1.495 1.00 0.00 O ATOM 2040 CB ILE A 131 -12.108 -1.521 1.123 1.00 0.00 C ATOM 2041 CG1 ILE A 131 -11.256 -0.392 1.707 1.00 0.00 C ATOM 2042 CG2 ILE A 131 -13.134 -0.966 0.146 1.00 0.00 C ATOM 2043 CD1 ILE A 131 -10.265 0.188 0.723 1.00 0.00 C ATOM 0 H ILE A 131 -10.885 -2.564 3.041 1.00 0.00 H new ATOM 0 HA ILE A 131 -13.423 -1.612 2.830 1.00 0.00 H new ATOM 0 HB ILE A 131 -11.452 -2.203 0.583 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -11.913 0.403 2.060 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -10.716 -0.768 2.576 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -12.623 -0.417 -0.645 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -13.702 -1.787 -0.291 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -13.813 -0.295 0.673 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -9.696 0.983 1.205 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -9.584 -0.594 0.389 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -10.800 0.594 -0.135 1.00 0.00 H new ATOM 2055 N LYS A 132 -13.095 -4.498 1.265 1.00 0.00 N ATOM 2056 CA LYS A 132 -13.832 -5.604 0.666 1.00 0.00 C ATOM 2057 C LYS A 132 -15.009 -6.013 1.545 1.00 0.00 C ATOM 2058 O LYS A 132 -16.030 -6.487 1.048 1.00 0.00 O ATOM 2059 CB LYS A 132 -12.905 -6.802 0.445 1.00 0.00 C ATOM 2060 CG LYS A 132 -12.047 -6.685 -0.803 1.00 0.00 C ATOM 2061 CD LYS A 132 -11.078 -7.849 -0.923 1.00 0.00 C ATOM 2062 CE LYS A 132 -10.769 -8.169 -2.378 1.00 0.00 C ATOM 2063 NZ LYS A 132 -10.398 -9.599 -2.564 1.00 0.00 N ATOM 0 H LYS A 132 -12.095 -4.667 1.371 1.00 0.00 H new ATOM 0 HA LYS A 132 -14.219 -5.270 -0.297 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -12.255 -6.913 1.313 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -13.506 -7.709 0.379 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -12.687 -6.651 -1.684 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -11.491 -5.748 -0.777 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -10.153 -7.610 -0.398 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -11.502 -8.728 -0.438 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -11.638 -7.936 -2.994 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -9.953 -7.534 -2.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -10.195 -9.777 -3.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -9.554 -9.815 -1.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -11.186 -10.205 -2.257 1.00 0.00 H new ATOM 2077 N GLN A 133 -14.858 -5.826 2.852 1.00 0.00 N ATOM 2078 CA GLN A 133 -15.910 -6.176 3.800 1.00 0.00 C ATOM 2079 C GLN A 133 -16.713 -4.943 4.202 1.00 0.00 C ATOM 2080 O GLN A 133 -17.930 -4.896 4.024 1.00 0.00 O ATOM 2081 CB GLN A 133 -15.308 -6.834 5.042 1.00 0.00 C ATOM 2082 CG GLN A 133 -14.331 -7.955 4.724 1.00 0.00 C ATOM 2083 CD GLN A 133 -15.003 -9.312 4.651 1.00 0.00 C ATOM 2084 OE1 GLN A 133 -15.646 -9.751 5.604 1.00 0.00 O ATOM 2085 NE2 GLN A 133 -14.857 -9.984 3.515 1.00 0.00 N ATOM 0 H GLN A 133 -14.018 -5.434 3.279 1.00 0.00 H new ATOM 0 HA GLN A 133 -16.583 -6.882 3.313 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -14.797 -6.075 5.634 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -16.114 -7.230 5.660 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -13.840 -7.745 3.774 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -13.552 -7.980 5.486 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -14.315 -9.581 2.750 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -15.287 -10.903 3.407 1.00 0.00 H new ATOM 2094 N THR A 134 -16.023 -3.945 4.745 1.00 0.00 N ATOM 2095 CA THR A 134 -16.671 -2.712 5.174 1.00 0.00 C ATOM 2096 C THR A 134 -17.558 -2.145 4.072 1.00 0.00 C ATOM 2097 O THR A 134 -18.759 -1.952 4.265 1.00 0.00 O ATOM 2098 CB THR A 134 -15.637 -1.646 5.583 1.00 0.00 C ATOM 2099 OG1 THR A 134 -14.841 -2.128 6.672 1.00 0.00 O ATOM 2100 CG2 THR A 134 -16.325 -0.351 5.986 1.00 0.00 C ATOM 0 H THR A 134 -15.015 -3.967 4.898 1.00 0.00 H new ATOM 0 HA THR A 134 -17.285 -2.963 6.039 1.00 0.00 H new ATOM 0 HB THR A 134 -14.995 -1.446 4.725 1.00 0.00 H new ATOM 0 HG1 THR A 134 -13.929 -2.303 6.358 1.00 0.00 H new ATOM 0 HG21 THR A 134 -15.574 0.386 6.271 1.00 0.00 H new ATOM 0 HG22 THR A 134 -16.907 0.029 5.146 1.00 0.00 H new ATOM 0 HG23 THR A 134 -16.988 -0.539 6.831 1.00 0.00 H new ATOM 2108 N PHE A 135 -16.961 -1.881 2.914 1.00 0.00 N ATOM 2109 CA PHE A 135 -17.698 -1.336 1.780 1.00 0.00 C ATOM 2110 C PHE A 135 -18.374 -2.449 0.985 1.00 0.00 C ATOM 2111 O PHE A 135 -19.345 -2.213 0.268 1.00 0.00 O ATOM 2112 CB PHE A 135 -16.760 -0.541 0.870 1.00 0.00 C ATOM 2113 CG PHE A 135 -16.236 0.717 1.501 1.00 0.00 C ATOM 2114 CD1 PHE A 135 -15.461 0.661 2.649 1.00 0.00 C ATOM 2115 CD2 PHE A 135 -16.517 1.955 0.947 1.00 0.00 C ATOM 2116 CE1 PHE A 135 -14.978 1.818 3.232 1.00 0.00 C ATOM 2117 CE2 PHE A 135 -16.037 3.115 1.526 1.00 0.00 C ATOM 2118 CZ PHE A 135 -15.265 3.046 2.669 1.00 0.00 C ATOM 0 H PHE A 135 -15.969 -2.036 2.737 1.00 0.00 H new ATOM 0 HA PHE A 135 -18.469 -0.670 2.166 1.00 0.00 H new ATOM 0 HB2 PHE A 135 -15.919 -1.174 0.587 1.00 0.00 H new ATOM 0 HB3 PHE A 135 -17.289 -0.284 -0.048 1.00 0.00 H new ATOM 0 HD1 PHE A 135 -15.232 -0.297 3.093 1.00 0.00 H new ATOM 0 HD2 PHE A 135 -17.118 2.015 0.052 1.00 0.00 H new ATOM 0 HE1 PHE A 135 -14.377 1.761 4.127 1.00 0.00 H new ATOM 0 HE2 PHE A 135 -16.265 4.074 1.085 1.00 0.00 H new ATOM 0 HZ PHE A 135 -14.886 3.951 3.122 1.00 0.00 H new ATOM 2128 N GLY A 136 -17.851 -3.665 1.118 1.00 0.00 N ATOM 2129 CA GLY A 136 -18.416 -4.797 0.406 1.00 0.00 C ATOM 2130 C GLY A 136 -17.897 -4.906 -1.014 1.00 0.00 C ATOM 2131 O GLY A 136 -18.641 -5.260 -1.928 1.00 0.00 O ATOM 0 H GLY A 136 -17.047 -3.886 1.706 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -18.183 -5.715 0.946 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -19.502 -4.705 0.387 1.00 0.00 H new ATOM 2135 N TYR A 137 -16.618 -4.599 -1.199 1.00 0.00 N ATOM 2136 CA TYR A 137 -16.001 -4.661 -2.519 1.00 0.00 C ATOM 2137 C TYR A 137 -15.197 -5.947 -2.686 1.00 0.00 C ATOM 2138 O TYR A 137 -14.214 -5.987 -3.424 1.00 0.00 O ATOM 2139 CB TYR A 137 -15.095 -3.448 -2.739 1.00 0.00 C ATOM 2140 CG TYR A 137 -15.820 -2.125 -2.642 1.00 0.00 C ATOM 2141 CD1 TYR A 137 -17.205 -2.061 -2.742 1.00 0.00 C ATOM 2142 CD2 TYR A 137 -15.122 -0.939 -2.451 1.00 0.00 C ATOM 2143 CE1 TYR A 137 -17.872 -0.854 -2.654 1.00 0.00 C ATOM 2144 CE2 TYR A 137 -15.781 0.272 -2.361 1.00 0.00 C ATOM 2145 CZ TYR A 137 -17.156 0.309 -2.463 1.00 0.00 C ATOM 2146 OH TYR A 137 -17.816 1.513 -2.375 1.00 0.00 O ATOM 0 H TYR A 137 -15.988 -4.305 -0.452 1.00 0.00 H new ATOM 0 HA TYR A 137 -16.797 -4.652 -3.264 1.00 0.00 H new ATOM 0 HB2 TYR A 137 -14.291 -3.467 -2.003 1.00 0.00 H new ATOM 0 HB3 TYR A 137 -14.629 -3.526 -3.721 1.00 0.00 H new ATOM 0 HD1 TYR A 137 -17.769 -2.970 -2.891 1.00 0.00 H new ATOM 0 HD2 TYR A 137 -14.045 -0.964 -2.371 1.00 0.00 H new ATOM 0 HE1 TYR A 137 -18.949 -0.822 -2.734 1.00 0.00 H new ATOM 0 HE2 TYR A 137 -15.223 1.184 -2.212 1.00 0.00 H new ATOM 0 HH TYR A 137 -17.198 2.202 -2.053 1.00 0.00 H new ATOM 2156 N GLY A 138 -15.624 -6.998 -1.992 1.00 0.00 N ATOM 2157 CA GLY A 138 -14.934 -8.272 -2.076 1.00 0.00 C ATOM 2158 C GLY A 138 -15.751 -9.327 -2.797 1.00 0.00 C ATOM 2159 O GLY A 138 -16.979 -9.255 -2.830 1.00 0.00 O ATOM 0 H GLY A 138 -16.435 -6.990 -1.373 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -13.985 -8.134 -2.594 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -14.700 -8.622 -1.071 1.00 0.00 H new ATOM 2163 N ALA A 139 -15.067 -10.308 -3.377 1.00 0.00 N ATOM 2164 CA ALA A 139 -15.737 -11.382 -4.100 1.00 0.00 C ATOM 2165 C ALA A 139 -15.879 -12.625 -3.228 1.00 0.00 C ATOM 2166 O ALA A 139 -16.953 -13.220 -3.150 1.00 0.00 O ATOM 2167 CB ALA A 139 -14.976 -11.713 -5.375 1.00 0.00 C ATOM 0 H ALA A 139 -14.050 -10.381 -3.360 1.00 0.00 H new ATOM 0 HA ALA A 139 -16.738 -11.040 -4.365 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -15.487 -12.517 -5.905 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -14.931 -10.829 -6.012 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -13.964 -12.031 -5.123 1.00 0.00 H new