USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 732 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.261 X(o=-0.26,f=-0.24) USER MOD Single : A 8 SER OG : rot 177:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0485) USER MOD Single : A 25 LYS NZ :NH3+ 174:sc=-0.00506 (180deg=-0.0642) USER MOD Single : A 26 TYR OH : rot -75:sc= 2.36 USER MOD Single : A 28 THR OG1 : rot 96:sc= 0.0452 USER MOD Single : A 30 SER OG : rot 180:sc= -0.141 USER MOD Single : A 31 SER OG : rot -47:sc= 0.0239 USER MOD Single : A 32 ASN : amide:sc= -0.221 K(o=-0.22,f=-1.6!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -3.17! C(o=-3.2!,f=-3.7!) USER MOD Single : A 40 SER OG : rot 180:sc= 0.0918 USER MOD Single : A 42 ASN : amide:sc= -0.117 X(o=-0.12,f=-0.0067) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -6.73! K(o=-6.7!,f=-1.5) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 107:sc= -2.8 USER MOD Single : A 49 HIS : no HD1:sc= -0.287 X(o=-0.29,f=-0.46) USER MOD Single : A 51 LYS NZ :NH3+ 173:sc= -0.0814 (180deg=-0.165) USER MOD Single : A 53 MET CE :methyl 167:sc= -11.8! (180deg=-13!) USER MOD Single : A 58 THR OG1 : rot -68:sc= -2.61! USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -85:sc= -0.284 USER MOD Single : A 97 SER OG : rot -130:sc= -1.02 USER MOD Single : A 98 THR OG1 : rot -41:sc= 0.952 USER MOD Single : A 100 GLN : amide:sc= -0.0874 X(o=-0.087,f=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= -6.15! C(o=-6.1!,f=-7.9!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= -0.179 X(o=-0.18,f=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 GLN : amide:sc= -6.39! C(o=-6.4!,f=-13!) USER MOD Single : A 126 SER OG : rot 88:sc= 0.3 USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 3 -12.296 -11.717 12.597 1.00 0.00 N ATOM 38 CA ILE A 3 -12.137 -10.361 13.100 1.00 0.00 C ATOM 39 C ILE A 3 -11.958 -9.372 11.951 1.00 0.00 C ATOM 40 O ILE A 3 -11.236 -9.650 10.994 1.00 0.00 O ATOM 41 CB ILE A 3 -10.925 -10.251 14.048 1.00 0.00 C ATOM 42 CG1 ILE A 3 -10.914 -11.411 15.049 1.00 0.00 C ATOM 43 CG2 ILE A 3 -10.939 -8.916 14.777 1.00 0.00 C ATOM 44 CD1 ILE A 3 -9.626 -12.207 15.035 1.00 0.00 C ATOM 0 HA ILE A 3 -13.044 -10.118 13.653 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.016 -10.308 13.450 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -11.078 -11.017 16.052 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -11.747 -12.079 14.829 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -10.077 -8.855 15.442 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -10.895 -8.104 14.051 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.855 -8.830 15.362 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.688 -13.012 15.767 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.471 -12.631 14.043 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -8.791 -11.552 15.285 1.00 0.00 H new ATOM 56 N PRO A 4 -12.615 -8.202 12.025 1.00 0.00 N ATOM 57 CA PRO A 4 -12.519 -7.181 10.978 1.00 0.00 C ATOM 58 C PRO A 4 -11.090 -6.694 10.772 1.00 0.00 C ATOM 59 O PRO A 4 -10.416 -6.280 11.716 1.00 0.00 O ATOM 60 CB PRO A 4 -13.409 -6.041 11.488 1.00 0.00 C ATOM 61 CG PRO A 4 -13.570 -6.293 12.949 1.00 0.00 C ATOM 62 CD PRO A 4 -13.499 -7.782 13.122 1.00 0.00 C ATOM 0 HA PRO A 4 -12.829 -7.571 10.008 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -12.949 -5.070 11.304 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -14.374 -6.038 10.981 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -12.785 -5.796 13.519 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -14.522 -5.903 13.310 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -13.092 -8.056 14.095 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -14.483 -8.244 13.046 1.00 0.00 H new ATOM 70 N ILE A 5 -10.640 -6.744 9.525 1.00 0.00 N ATOM 71 CA ILE A 5 -9.293 -6.310 9.168 1.00 0.00 C ATOM 72 C ILE A 5 -9.279 -4.837 8.758 1.00 0.00 C ATOM 73 O ILE A 5 -8.237 -4.183 8.795 1.00 0.00 O ATOM 74 CB ILE A 5 -8.718 -7.163 8.020 1.00 0.00 C ATOM 75 CG1 ILE A 5 -8.766 -8.647 8.387 1.00 0.00 C ATOM 76 CG2 ILE A 5 -7.292 -6.739 7.698 1.00 0.00 C ATOM 77 CD1 ILE A 5 -8.029 -8.978 9.667 1.00 0.00 C ATOM 0 H ILE A 5 -11.192 -7.083 8.737 1.00 0.00 H new ATOM 0 HA ILE A 5 -8.670 -6.440 10.053 1.00 0.00 H new ATOM 0 HB ILE A 5 -9.330 -7.004 7.132 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -9.807 -8.955 8.487 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -8.339 -9.229 7.570 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.905 -7.353 6.885 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.283 -5.691 7.397 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.666 -6.868 8.581 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -8.105 -10.047 9.865 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.980 -8.702 9.564 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -8.471 -8.424 10.495 1.00 0.00 H new ATOM 89 N LYS A 6 -10.446 -4.319 8.385 1.00 0.00 N ATOM 90 CA LYS A 6 -10.587 -2.924 7.983 1.00 0.00 C ATOM 91 C LYS A 6 -12.030 -2.653 7.619 1.00 0.00 C ATOM 92 O LYS A 6 -12.512 -3.133 6.610 1.00 0.00 O ATOM 93 CB LYS A 6 -9.702 -2.594 6.770 1.00 0.00 C ATOM 94 CG LYS A 6 -8.781 -1.403 6.967 1.00 0.00 C ATOM 95 CD LYS A 6 -7.919 -1.544 8.213 1.00 0.00 C ATOM 96 CE LYS A 6 -7.399 -0.197 8.687 1.00 0.00 C ATOM 97 NZ LYS A 6 -7.859 0.125 10.065 1.00 0.00 N ATOM 0 H LYS A 6 -11.315 -4.851 8.353 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.274 -2.300 8.820 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.098 -3.468 6.529 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.343 -2.403 5.910 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.139 -1.294 6.093 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.377 -0.493 7.040 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.501 -2.011 9.008 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.079 -2.206 8.002 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.309 -0.199 8.660 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.733 0.582 8.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.482 1.052 10.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.898 0.153 10.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.519 -0.604 10.724 1.00 0.00 H new ATOM 111 N GLN A 7 -12.714 -1.880 8.427 1.00 0.00 N ATOM 112 CA GLN A 7 -14.104 -1.557 8.148 1.00 0.00 C ATOM 113 C GLN A 7 -14.331 -0.054 8.225 1.00 0.00 C ATOM 114 O GLN A 7 -14.288 0.536 9.304 1.00 0.00 O ATOM 115 CB GLN A 7 -15.030 -2.281 9.127 1.00 0.00 C ATOM 116 CG GLN A 7 -14.741 -1.963 10.585 1.00 0.00 C ATOM 117 CD GLN A 7 -15.211 -3.057 11.524 1.00 0.00 C ATOM 118 OE1 GLN A 7 -16.187 -3.752 11.247 1.00 0.00 O ATOM 119 NE2 GLN A 7 -14.513 -3.214 12.644 1.00 0.00 N ATOM 0 H GLN A 7 -12.340 -1.462 9.279 1.00 0.00 H new ATOM 0 HA GLN A 7 -14.335 -1.892 7.137 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -16.063 -2.013 8.903 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -14.939 -3.356 8.973 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -13.669 -1.813 10.715 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -15.229 -1.025 10.852 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -13.710 -2.614 12.833 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -14.780 -3.934 13.315 1.00 0.00 H new ATOM 128 N SER A 8 -14.566 0.561 7.074 1.00 0.00 N ATOM 129 CA SER A 8 -14.794 2.000 7.014 1.00 0.00 C ATOM 130 C SER A 8 -15.398 2.408 5.678 1.00 0.00 C ATOM 131 O SER A 8 -15.722 1.561 4.845 1.00 0.00 O ATOM 132 CB SER A 8 -13.482 2.752 7.243 1.00 0.00 C ATOM 133 OG SER A 8 -13.695 3.932 8.000 1.00 0.00 O ATOM 0 H SER A 8 -14.604 0.088 6.171 1.00 0.00 H new ATOM 0 HA SER A 8 -15.501 2.260 7.801 1.00 0.00 H new ATOM 0 HB2 SER A 8 -12.775 2.106 7.763 1.00 0.00 H new ATOM 0 HB3 SER A 8 -13.034 3.008 6.283 1.00 0.00 H new ATOM 0 HG SER A 8 -12.835 4.369 8.173 1.00 0.00 H new ATOM 139 N PHE A 9 -15.552 3.713 5.482 1.00 0.00 N ATOM 140 CA PHE A 9 -16.121 4.239 4.247 1.00 0.00 C ATOM 141 C PHE A 9 -15.059 4.357 3.161 1.00 0.00 C ATOM 142 O PHE A 9 -13.919 4.737 3.431 1.00 0.00 O ATOM 143 CB PHE A 9 -16.764 5.607 4.496 1.00 0.00 C ATOM 144 CG PHE A 9 -17.480 5.708 5.814 1.00 0.00 C ATOM 145 CD1 PHE A 9 -18.258 4.660 6.278 1.00 0.00 C ATOM 146 CD2 PHE A 9 -17.372 6.852 6.589 1.00 0.00 C ATOM 147 CE1 PHE A 9 -18.916 4.750 7.490 1.00 0.00 C ATOM 148 CE2 PHE A 9 -18.029 6.949 7.801 1.00 0.00 C ATOM 149 CZ PHE A 9 -18.802 5.895 8.252 1.00 0.00 C ATOM 0 H PHE A 9 -15.291 4.426 6.163 1.00 0.00 H new ATOM 0 HA PHE A 9 -16.886 3.541 3.907 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -15.992 6.375 4.453 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -17.469 5.819 3.692 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -18.351 3.762 5.686 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -16.768 7.677 6.242 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -19.519 3.925 7.840 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -17.939 7.847 8.395 1.00 0.00 H new ATOM 0 HZ PHE A 9 -19.316 5.968 9.199 1.00 0.00 H new ATOM 159 N LEU A 10 -15.445 4.033 1.933 1.00 0.00 N ATOM 160 CA LEU A 10 -14.532 4.104 0.797 1.00 0.00 C ATOM 161 C LEU A 10 -15.182 4.841 -0.364 1.00 0.00 C ATOM 162 O LEU A 10 -16.405 4.891 -0.472 1.00 0.00 O ATOM 163 CB LEU A 10 -14.134 2.700 0.342 1.00 0.00 C ATOM 164 CG LEU A 10 -12.919 2.100 1.051 1.00 0.00 C ATOM 165 CD1 LEU A 10 -13.209 1.890 2.529 1.00 0.00 C ATOM 166 CD2 LEU A 10 -12.514 0.790 0.391 1.00 0.00 C ATOM 0 H LEU A 10 -16.386 3.718 1.697 1.00 0.00 H new ATOM 0 HA LEU A 10 -13.641 4.646 1.114 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -14.984 2.034 0.489 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -13.932 2.727 -0.729 1.00 0.00 H new ATOM 0 HG LEU A 10 -12.089 2.801 0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.332 1.462 3.015 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -13.450 2.847 2.992 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -14.053 1.210 2.641 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -11.648 0.375 0.907 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -13.342 0.083 0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -12.261 0.972 -0.654 1.00 0.00 H new ATOM 178 N LEU A 11 -14.359 5.398 -1.241 1.00 0.00 N ATOM 179 CA LEU A 11 -14.872 6.111 -2.402 1.00 0.00 C ATOM 180 C LEU A 11 -14.942 5.169 -3.599 1.00 0.00 C ATOM 181 O LEU A 11 -14.066 4.322 -3.779 1.00 0.00 O ATOM 182 CB LEU A 11 -13.990 7.323 -2.723 1.00 0.00 C ATOM 183 CG LEU A 11 -14.712 8.670 -2.698 1.00 0.00 C ATOM 184 CD1 LEU A 11 -15.346 8.911 -1.336 1.00 0.00 C ATOM 185 CD2 LEU A 11 -13.753 9.797 -3.049 1.00 0.00 C ATOM 0 H LEU A 11 -13.342 5.371 -1.172 1.00 0.00 H new ATOM 0 HA LEU A 11 -15.876 6.472 -2.178 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -13.168 7.355 -2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -13.549 7.182 -3.710 1.00 0.00 H new ATOM 0 HG LEU A 11 -15.504 8.649 -3.446 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -15.855 9.875 -1.337 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -16.066 8.120 -1.125 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.572 8.911 -0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.285 10.748 -3.026 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.938 9.820 -2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.348 9.632 -4.047 1.00 0.00 H new ATOM 197 N LYS A 12 -15.984 5.308 -4.412 1.00 0.00 N ATOM 198 CA LYS A 12 -16.153 4.453 -5.583 1.00 0.00 C ATOM 199 C LYS A 12 -16.539 5.268 -6.813 1.00 0.00 C ATOM 200 O LYS A 12 -17.644 5.804 -6.895 1.00 0.00 O ATOM 201 CB LYS A 12 -17.215 3.387 -5.311 1.00 0.00 C ATOM 202 CG LYS A 12 -16.865 2.020 -5.879 1.00 0.00 C ATOM 203 CD LYS A 12 -16.922 2.015 -7.400 1.00 0.00 C ATOM 204 CE LYS A 12 -15.630 1.491 -8.005 1.00 0.00 C ATOM 205 NZ LYS A 12 -15.813 1.055 -9.417 1.00 0.00 N ATOM 0 H LYS A 12 -16.721 6.001 -4.283 1.00 0.00 H new ATOM 0 HA LYS A 12 -15.198 3.967 -5.782 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -17.361 3.297 -4.234 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -18.164 3.715 -5.735 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -15.866 1.734 -5.551 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -17.556 1.274 -5.486 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -17.757 1.397 -7.732 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -17.110 3.026 -7.761 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -14.868 2.269 -7.961 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -15.265 0.653 -7.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.909 0.705 -9.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -16.522 0.295 -9.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -16.137 1.860 -9.990 1.00 0.00 H new ATOM 219 N ARG A 13 -15.620 5.352 -7.772 1.00 0.00 N ATOM 220 CA ARG A 13 -15.857 6.096 -9.005 1.00 0.00 C ATOM 221 C ARG A 13 -17.119 5.604 -9.709 1.00 0.00 C ATOM 222 O ARG A 13 -17.467 4.425 -9.630 1.00 0.00 O ATOM 223 CB ARG A 13 -14.654 5.966 -9.942 1.00 0.00 C ATOM 224 CG ARG A 13 -14.408 4.546 -10.424 1.00 0.00 C ATOM 225 CD ARG A 13 -13.329 4.497 -11.493 1.00 0.00 C ATOM 226 NE ARG A 13 -13.881 4.214 -12.815 1.00 0.00 N ATOM 227 CZ ARG A 13 -13.160 3.761 -13.839 1.00 0.00 C ATOM 228 NH1 ARG A 13 -11.858 3.543 -13.697 1.00 0.00 N ATOM 229 NH2 ARG A 13 -13.741 3.527 -15.008 1.00 0.00 N ATOM 0 H ARG A 13 -14.701 4.912 -7.718 1.00 0.00 H new ATOM 0 HA ARG A 13 -15.996 7.145 -8.744 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -14.806 6.613 -10.806 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -13.763 6.325 -9.427 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -14.114 3.921 -9.581 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -15.334 4.131 -10.822 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.800 5.449 -11.518 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.597 3.732 -11.234 1.00 0.00 H new ATOM 0 HE ARG A 13 -14.878 4.373 -12.963 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.406 3.722 -12.801 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.310 3.196 -14.484 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.741 3.694 -15.123 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.188 3.180 -15.792 1.00 0.00 H new ATOM 319 N LYS A 20 -13.636 11.622 -13.415 1.00 0.00 N ATOM 320 CA LYS A 20 -14.034 10.630 -12.424 1.00 0.00 C ATOM 321 C LYS A 20 -15.052 11.208 -11.446 1.00 0.00 C ATOM 322 O LYS A 20 -15.272 12.418 -11.401 1.00 0.00 O ATOM 323 CB LYS A 20 -12.811 10.116 -11.667 1.00 0.00 C ATOM 324 CG LYS A 20 -12.568 8.627 -11.854 1.00 0.00 C ATOM 325 CD LYS A 20 -11.201 8.222 -11.342 1.00 0.00 C ATOM 326 CE LYS A 20 -10.526 7.226 -12.272 1.00 0.00 C ATOM 327 NZ LYS A 20 -9.247 6.714 -11.707 1.00 0.00 N ATOM 0 HA LYS A 20 -14.502 9.798 -12.950 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -11.930 10.665 -11.999 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -12.936 10.326 -10.605 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.337 8.062 -11.328 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.653 8.373 -12.911 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.574 9.107 -11.239 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.299 7.784 -10.349 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.200 6.390 -12.459 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.333 7.701 -13.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.820 6.038 -12.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.593 7.508 -11.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.434 6.238 -10.802 1.00 0.00 H new ATOM 341 N GLU A 21 -15.666 10.328 -10.664 1.00 0.00 N ATOM 342 CA GLU A 21 -16.659 10.732 -9.680 1.00 0.00 C ATOM 343 C GLU A 21 -16.904 9.600 -8.695 1.00 0.00 C ATOM 344 O GLU A 21 -17.652 8.664 -8.976 1.00 0.00 O ATOM 345 CB GLU A 21 -17.968 11.131 -10.365 1.00 0.00 C ATOM 346 CG GLU A 21 -18.768 12.166 -9.592 1.00 0.00 C ATOM 347 CD GLU A 21 -18.319 13.585 -9.881 1.00 0.00 C ATOM 348 OE1 GLU A 21 -17.108 13.789 -10.115 1.00 0.00 O ATOM 349 OE2 GLU A 21 -19.175 14.492 -9.872 1.00 0.00 O ATOM 0 H GLU A 21 -15.491 9.324 -10.694 1.00 0.00 H new ATOM 0 HA GLU A 21 -16.279 11.598 -9.138 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -17.744 11.524 -11.357 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -18.581 10.241 -10.505 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -19.824 12.065 -9.843 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.674 11.969 -8.524 1.00 0.00 H new ATOM 356 N TRP A 22 -16.251 9.688 -7.547 1.00 0.00 N ATOM 357 CA TRP A 22 -16.371 8.667 -6.518 1.00 0.00 C ATOM 358 C TRP A 22 -17.441 9.031 -5.497 1.00 0.00 C ATOM 359 O TRP A 22 -17.553 10.184 -5.079 1.00 0.00 O ATOM 360 CB TRP A 22 -15.026 8.472 -5.818 1.00 0.00 C ATOM 361 CG TRP A 22 -13.869 8.329 -6.764 1.00 0.00 C ATOM 362 CD1 TRP A 22 -13.492 9.205 -7.741 1.00 0.00 C ATOM 363 CD2 TRP A 22 -12.935 7.245 -6.815 1.00 0.00 C ATOM 364 NE1 TRP A 22 -12.384 8.731 -8.399 1.00 0.00 N ATOM 365 CE2 TRP A 22 -12.023 7.529 -7.848 1.00 0.00 C ATOM 366 CE3 TRP A 22 -12.780 6.059 -6.090 1.00 0.00 C ATOM 367 CZ2 TRP A 22 -10.976 6.672 -8.170 1.00 0.00 C ATOM 368 CZ3 TRP A 22 -11.739 5.212 -6.413 1.00 0.00 C ATOM 369 CH2 TRP A 22 -10.854 5.523 -7.441 1.00 0.00 C ATOM 0 H TRP A 22 -15.630 10.460 -7.304 1.00 0.00 H new ATOM 0 HA TRP A 22 -16.668 7.736 -7.000 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -14.843 9.321 -5.159 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -15.080 7.585 -5.187 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -13.993 10.136 -7.964 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -11.908 9.197 -9.171 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -13.463 5.810 -5.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -10.285 6.906 -8.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -11.609 4.294 -5.859 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -10.050 4.839 -7.668 1.00 0.00 H new ATOM 380 N LYS A 23 -18.224 8.035 -5.094 1.00 0.00 N ATOM 381 CA LYS A 23 -19.284 8.241 -4.115 1.00 0.00 C ATOM 382 C LYS A 23 -18.946 7.536 -2.806 1.00 0.00 C ATOM 383 O LYS A 23 -18.228 6.536 -2.796 1.00 0.00 O ATOM 384 CB LYS A 23 -20.619 7.729 -4.661 1.00 0.00 C ATOM 385 CG LYS A 23 -21.717 8.781 -4.664 1.00 0.00 C ATOM 386 CD LYS A 23 -21.528 9.781 -5.793 1.00 0.00 C ATOM 387 CE LYS A 23 -22.437 9.471 -6.973 1.00 0.00 C ATOM 388 NZ LYS A 23 -21.677 9.374 -8.250 1.00 0.00 N ATOM 0 H LYS A 23 -18.143 7.076 -5.431 1.00 0.00 H new ATOM 0 HA LYS A 23 -19.371 9.310 -3.921 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -20.471 7.367 -5.678 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -20.944 6.877 -4.063 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -22.687 8.295 -4.766 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -21.722 9.306 -3.709 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -21.735 10.787 -5.428 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -20.488 9.769 -6.121 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -22.961 8.533 -6.791 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -23.196 10.248 -7.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -22.333 9.162 -9.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -21.197 10.277 -8.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -20.970 8.615 -8.176 1.00 0.00 H new ATOM 402 N LYS A 24 -19.466 8.061 -1.703 1.00 0.00 N ATOM 403 CA LYS A 24 -19.212 7.481 -0.390 1.00 0.00 C ATOM 404 C LYS A 24 -19.780 6.066 -0.299 1.00 0.00 C ATOM 405 O LYS A 24 -20.967 5.844 -0.537 1.00 0.00 O ATOM 406 CB LYS A 24 -19.819 8.361 0.704 1.00 0.00 C ATOM 407 CG LYS A 24 -18.835 9.359 1.295 1.00 0.00 C ATOM 408 CD LYS A 24 -18.792 9.271 2.812 1.00 0.00 C ATOM 409 CE LYS A 24 -19.891 10.105 3.449 1.00 0.00 C ATOM 410 NZ LYS A 24 -21.171 9.351 3.554 1.00 0.00 N ATOM 0 H LYS A 24 -20.065 8.886 -1.692 1.00 0.00 H new ATOM 0 HA LYS A 24 -18.133 7.427 -0.246 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -20.671 8.903 0.293 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -20.201 7.724 1.501 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -17.840 9.173 0.891 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -19.116 10.369 0.996 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -18.898 8.231 3.120 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -17.821 9.612 3.170 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -19.575 10.424 4.442 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -20.049 11.008 2.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -21.854 9.902 4.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -21.556 9.186 2.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -20.999 8.438 4.021 1.00 0.00 H new ATOM 424 N LYS A 25 -18.919 5.116 0.049 1.00 0.00 N ATOM 425 CA LYS A 25 -19.322 3.720 0.175 1.00 0.00 C ATOM 426 C LYS A 25 -18.968 3.180 1.555 1.00 0.00 C ATOM 427 O LYS A 25 -18.471 3.911 2.410 1.00 0.00 O ATOM 428 CB LYS A 25 -18.653 2.874 -0.910 1.00 0.00 C ATOM 429 CG LYS A 25 -19.232 3.108 -2.296 1.00 0.00 C ATOM 430 CD LYS A 25 -19.338 1.812 -3.084 1.00 0.00 C ATOM 431 CE LYS A 25 -20.620 1.762 -3.900 1.00 0.00 C ATOM 432 NZ LYS A 25 -20.432 2.330 -5.265 1.00 0.00 N ATOM 0 H LYS A 25 -17.934 5.288 0.250 1.00 0.00 H new ATOM 0 HA LYS A 25 -20.403 3.663 0.049 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -17.586 3.095 -0.927 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -18.756 1.819 -0.654 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -20.219 3.562 -2.207 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -18.604 3.814 -2.839 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -18.479 1.717 -3.748 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -19.308 0.965 -2.399 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -20.959 0.729 -3.980 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -21.403 2.315 -3.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -21.298 2.186 -5.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -20.232 3.348 -5.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -19.635 1.853 -5.733 1.00 0.00 H new ATOM 446 N TYR A 26 -19.233 1.897 1.765 1.00 0.00 N ATOM 447 CA TYR A 26 -18.951 1.254 3.043 1.00 0.00 C ATOM 448 C TYR A 26 -18.355 -0.132 2.818 1.00 0.00 C ATOM 449 O TYR A 26 -19.017 -1.016 2.281 1.00 0.00 O ATOM 450 CB TYR A 26 -20.242 1.155 3.859 1.00 0.00 C ATOM 451 CG TYR A 26 -20.071 0.533 5.225 1.00 0.00 C ATOM 452 CD1 TYR A 26 -20.104 -0.845 5.391 1.00 0.00 C ATOM 453 CD2 TYR A 26 -19.891 1.325 6.350 1.00 0.00 C ATOM 454 CE1 TYR A 26 -19.961 -1.417 6.641 1.00 0.00 C ATOM 455 CE2 TYR A 26 -19.748 0.763 7.603 1.00 0.00 C ATOM 456 CZ TYR A 26 -19.782 -0.609 7.743 1.00 0.00 C ATOM 457 OH TYR A 26 -19.640 -1.173 8.989 1.00 0.00 O ATOM 0 H TYR A 26 -19.644 1.279 1.065 1.00 0.00 H new ATOM 0 HA TYR A 26 -18.225 1.852 3.594 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -20.660 2.155 3.978 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -20.970 0.571 3.296 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -20.244 -1.481 4.529 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -19.862 2.399 6.244 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -19.989 -2.491 6.754 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -19.610 1.394 8.469 1.00 0.00 H new ATOM 0 HH TYR A 26 -20.511 -1.491 9.305 1.00 0.00 H new ATOM 467 N VAL A 27 -17.100 -0.316 3.223 1.00 0.00 N ATOM 468 CA VAL A 27 -16.425 -1.600 3.045 1.00 0.00 C ATOM 469 C VAL A 27 -15.953 -2.179 4.365 1.00 0.00 C ATOM 470 O VAL A 27 -15.542 -1.449 5.268 1.00 0.00 O ATOM 471 CB VAL A 27 -15.190 -1.484 2.124 1.00 0.00 C ATOM 472 CG1 VAL A 27 -14.894 -2.823 1.465 1.00 0.00 C ATOM 473 CG2 VAL A 27 -15.391 -0.401 1.076 1.00 0.00 C ATOM 0 H VAL A 27 -16.533 0.402 3.674 1.00 0.00 H new ATOM 0 HA VAL A 27 -17.168 -2.255 2.591 1.00 0.00 H new ATOM 0 HB VAL A 27 -14.333 -1.202 2.736 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.021 -2.726 0.819 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.695 -3.571 2.233 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -15.753 -3.133 0.870 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -14.507 -0.340 0.441 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -16.261 -0.643 0.465 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -15.550 0.558 1.569 1.00 0.00 H new ATOM 483 N THR A 28 -15.972 -3.504 4.456 1.00 0.00 N ATOM 484 CA THR A 28 -15.500 -4.185 5.646 1.00 0.00 C ATOM 485 C THR A 28 -14.690 -5.420 5.279 1.00 0.00 C ATOM 486 O THR A 28 -15.230 -6.421 4.800 1.00 0.00 O ATOM 487 CB THR A 28 -16.645 -4.588 6.573 1.00 0.00 C ATOM 488 OG1 THR A 28 -17.385 -3.452 6.987 1.00 0.00 O ATOM 489 CG2 THR A 28 -16.156 -5.307 7.819 1.00 0.00 C ATOM 0 H THR A 28 -16.309 -4.123 3.719 1.00 0.00 H new ATOM 0 HA THR A 28 -14.865 -3.477 6.178 1.00 0.00 H new ATOM 0 HB THR A 28 -17.274 -5.265 5.995 1.00 0.00 H new ATOM 0 HG1 THR A 28 -18.167 -3.342 6.407 1.00 0.00 H new ATOM 0 HG21 THR A 28 -17.009 -5.572 8.444 1.00 0.00 H new ATOM 0 HG22 THR A 28 -15.622 -6.213 7.531 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.486 -4.653 8.377 1.00 0.00 H new ATOM 497 N LEU A 29 -13.397 -5.348 5.541 1.00 0.00 N ATOM 498 CA LEU A 29 -12.497 -6.451 5.293 1.00 0.00 C ATOM 499 C LEU A 29 -12.456 -7.318 6.535 1.00 0.00 C ATOM 500 O LEU A 29 -12.064 -6.851 7.603 1.00 0.00 O ATOM 501 CB LEU A 29 -11.095 -5.936 4.966 1.00 0.00 C ATOM 502 CG LEU A 29 -10.473 -6.530 3.708 1.00 0.00 C ATOM 503 CD1 LEU A 29 -10.323 -8.034 3.856 1.00 0.00 C ATOM 504 CD2 LEU A 29 -11.315 -6.192 2.489 1.00 0.00 C ATOM 0 H LEU A 29 -12.945 -4.521 5.932 1.00 0.00 H new ATOM 0 HA LEU A 29 -12.850 -7.030 4.440 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -11.138 -4.852 4.856 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -10.440 -6.145 5.812 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.483 -6.096 3.569 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.878 -8.446 2.951 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.681 -8.253 4.709 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -11.303 -8.484 4.015 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.857 -6.624 1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -12.318 -6.600 2.615 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -11.375 -5.109 2.377 1.00 0.00 H new ATOM 516 N SER A 30 -12.887 -8.563 6.406 1.00 0.00 N ATOM 517 CA SER A 30 -12.917 -9.471 7.545 1.00 0.00 C ATOM 518 C SER A 30 -11.812 -10.510 7.452 1.00 0.00 C ATOM 519 O SER A 30 -11.251 -10.745 6.382 1.00 0.00 O ATOM 520 CB SER A 30 -14.277 -10.167 7.633 1.00 0.00 C ATOM 521 OG SER A 30 -14.227 -11.273 8.516 1.00 0.00 O ATOM 0 H SER A 30 -13.219 -8.967 5.530 1.00 0.00 H new ATOM 0 HA SER A 30 -12.755 -8.880 8.446 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.031 -9.458 7.976 1.00 0.00 H new ATOM 0 HB3 SER A 30 -14.582 -10.502 6.642 1.00 0.00 H new ATOM 0 HG SER A 30 -15.108 -11.700 8.556 1.00 0.00 H new ATOM 527 N SER A 31 -11.512 -11.138 8.583 1.00 0.00 N ATOM 528 CA SER A 31 -10.479 -12.163 8.632 1.00 0.00 C ATOM 529 C SER A 31 -10.980 -13.485 8.041 1.00 0.00 C ATOM 530 O SER A 31 -10.258 -14.482 8.037 1.00 0.00 O ATOM 531 CB SER A 31 -10.013 -12.385 10.072 1.00 0.00 C ATOM 532 OG SER A 31 -8.701 -12.921 10.107 1.00 0.00 O ATOM 0 H SER A 31 -11.969 -10.955 9.476 1.00 0.00 H new ATOM 0 HA SER A 31 -9.638 -11.814 8.032 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.038 -11.440 10.615 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.700 -13.063 10.579 1.00 0.00 H new ATOM 0 HG SER A 31 -8.634 -13.665 9.472 1.00 0.00 H new ATOM 538 N ASN A 32 -12.217 -13.487 7.541 1.00 0.00 N ATOM 539 CA ASN A 32 -12.808 -14.683 6.950 1.00 0.00 C ATOM 540 C ASN A 32 -12.541 -14.747 5.454 1.00 0.00 C ATOM 541 O ASN A 32 -13.305 -15.353 4.702 1.00 0.00 O ATOM 542 CB ASN A 32 -14.314 -14.721 7.214 1.00 0.00 C ATOM 543 CG ASN A 32 -14.897 -16.109 7.043 1.00 0.00 C ATOM 544 OD1 ASN A 32 -14.166 -17.086 6.880 1.00 0.00 O ATOM 545 ND2 ASN A 32 -16.221 -16.204 7.079 1.00 0.00 N ATOM 0 H ASN A 32 -12.828 -12.670 7.535 1.00 0.00 H new ATOM 0 HA ASN A 32 -12.342 -15.550 7.418 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -14.511 -14.370 8.227 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -14.816 -14.033 6.534 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -16.670 -17.113 6.969 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -16.789 -15.368 7.216 1.00 0.00 H new ATOM 552 N GLY A 33 -11.457 -14.111 5.025 1.00 0.00 N ATOM 553 CA GLY A 33 -11.119 -14.103 3.616 1.00 0.00 C ATOM 554 C GLY A 33 -12.283 -13.645 2.766 1.00 0.00 C ATOM 555 O GLY A 33 -12.560 -14.218 1.713 1.00 0.00 O ATOM 0 H GLY A 33 -10.809 -13.603 5.626 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.266 -13.445 3.450 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.815 -15.104 3.309 1.00 0.00 H new ATOM 559 N PHE A 34 -12.973 -12.614 3.238 1.00 0.00 N ATOM 560 CA PHE A 34 -14.124 -12.085 2.524 1.00 0.00 C ATOM 561 C PHE A 34 -14.148 -10.563 2.555 1.00 0.00 C ATOM 562 O PHE A 34 -14.151 -9.950 3.623 1.00 0.00 O ATOM 563 CB PHE A 34 -15.415 -12.638 3.126 1.00 0.00 C ATOM 564 CG PHE A 34 -16.297 -13.305 2.117 1.00 0.00 C ATOM 565 CD1 PHE A 34 -15.811 -14.343 1.340 1.00 0.00 C ATOM 566 CD2 PHE A 34 -17.606 -12.894 1.942 1.00 0.00 C ATOM 567 CE1 PHE A 34 -16.617 -14.961 0.406 1.00 0.00 C ATOM 568 CE2 PHE A 34 -18.418 -13.507 1.008 1.00 0.00 C ATOM 569 CZ PHE A 34 -17.923 -14.543 0.237 1.00 0.00 C ATOM 0 H PHE A 34 -12.755 -12.130 4.109 1.00 0.00 H new ATOM 0 HA PHE A 34 -14.045 -12.400 1.483 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -15.166 -13.353 3.910 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -15.965 -11.825 3.599 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -14.790 -14.672 1.466 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -17.997 -12.086 2.542 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -16.227 -15.771 -0.193 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -19.439 -13.178 0.880 1.00 0.00 H new ATOM 0 HZ PHE A 34 -18.555 -15.024 -0.495 1.00 0.00 H new ATOM 579 N LEU A 35 -14.183 -9.961 1.373 1.00 0.00 N ATOM 580 CA LEU A 35 -14.229 -8.513 1.255 1.00 0.00 C ATOM 581 C LEU A 35 -15.659 -8.067 0.968 1.00 0.00 C ATOM 582 O LEU A 35 -16.232 -8.424 -0.062 1.00 0.00 O ATOM 583 CB LEU A 35 -13.279 -8.050 0.143 1.00 0.00 C ATOM 584 CG LEU A 35 -13.590 -6.683 -0.472 1.00 0.00 C ATOM 585 CD1 LEU A 35 -13.784 -5.632 0.612 1.00 0.00 C ATOM 586 CD2 LEU A 35 -12.485 -6.268 -1.431 1.00 0.00 C ATOM 0 H LEU A 35 -14.180 -10.456 0.481 1.00 0.00 H new ATOM 0 HA LEU A 35 -13.906 -8.060 2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.266 -8.025 0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.289 -8.796 -0.652 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.521 -6.765 -1.033 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -14.004 -4.669 0.150 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -14.613 -5.923 1.257 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -12.874 -5.550 1.206 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.722 -5.294 -1.859 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.539 -6.207 -0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.401 -7.005 -2.230 1.00 0.00 H new ATOM 598 N LEU A 36 -16.241 -7.300 1.885 1.00 0.00 N ATOM 599 CA LEU A 36 -17.613 -6.834 1.717 1.00 0.00 C ATOM 600 C LEU A 36 -17.672 -5.322 1.532 1.00 0.00 C ATOM 601 O LEU A 36 -16.876 -4.583 2.107 1.00 0.00 O ATOM 602 CB LEU A 36 -18.460 -7.239 2.924 1.00 0.00 C ATOM 603 CG LEU A 36 -18.204 -8.655 3.450 1.00 0.00 C ATOM 604 CD1 LEU A 36 -17.922 -8.627 4.945 1.00 0.00 C ATOM 605 CD2 LEU A 36 -19.389 -9.560 3.148 1.00 0.00 C ATOM 0 H LEU A 36 -15.788 -6.990 2.745 1.00 0.00 H new ATOM 0 HA LEU A 36 -18.013 -7.302 0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -18.278 -6.530 3.731 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -19.513 -7.152 2.655 1.00 0.00 H new ATOM 0 HG LEU A 36 -17.327 -9.056 2.942 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -17.743 -9.642 5.300 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -17.042 -8.014 5.138 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -18.780 -8.205 5.469 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -19.189 -10.561 3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -20.283 -9.161 3.628 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -19.546 -9.607 2.070 1.00 0.00 H new ATOM 617 N TYR A 37 -18.633 -4.872 0.732 1.00 0.00 N ATOM 618 CA TYR A 37 -18.814 -3.450 0.481 1.00 0.00 C ATOM 619 C TYR A 37 -20.246 -3.165 0.030 1.00 0.00 C ATOM 620 O TYR A 37 -20.787 -3.857 -0.834 1.00 0.00 O ATOM 621 CB TYR A 37 -17.785 -2.945 -0.546 1.00 0.00 C ATOM 622 CG TYR A 37 -18.313 -2.755 -1.955 1.00 0.00 C ATOM 623 CD1 TYR A 37 -18.732 -3.840 -2.713 1.00 0.00 C ATOM 624 CD2 TYR A 37 -18.375 -1.490 -2.529 1.00 0.00 C ATOM 625 CE1 TYR A 37 -19.202 -3.672 -4.003 1.00 0.00 C ATOM 626 CE2 TYR A 37 -18.840 -1.313 -3.819 1.00 0.00 C ATOM 627 CZ TYR A 37 -19.253 -2.407 -4.550 1.00 0.00 C ATOM 628 OH TYR A 37 -19.717 -2.235 -5.834 1.00 0.00 O ATOM 0 H TYR A 37 -19.298 -5.474 0.247 1.00 0.00 H new ATOM 0 HA TYR A 37 -18.645 -2.906 1.410 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -17.383 -1.994 -0.195 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -16.954 -3.650 -0.579 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -18.690 -4.832 -2.288 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -18.055 -0.631 -1.958 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -19.527 -4.526 -4.578 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -18.880 -0.324 -4.251 1.00 0.00 H new ATOM 0 HH TYR A 37 -19.689 -1.284 -6.067 1.00 0.00 H new ATOM 638 N HIS A 38 -20.854 -2.150 0.632 1.00 0.00 N ATOM 639 CA HIS A 38 -22.224 -1.776 0.307 1.00 0.00 C ATOM 640 C HIS A 38 -22.290 -0.333 -0.187 1.00 0.00 C ATOM 641 O HIS A 38 -21.378 0.459 0.056 1.00 0.00 O ATOM 642 CB HIS A 38 -23.135 -1.940 1.528 1.00 0.00 C ATOM 643 CG HIS A 38 -22.762 -3.078 2.434 1.00 0.00 C ATOM 644 ND1 HIS A 38 -21.520 -3.201 3.022 1.00 0.00 N ATOM 645 CD2 HIS A 38 -23.481 -4.145 2.857 1.00 0.00 C ATOM 646 CE1 HIS A 38 -21.492 -4.294 3.764 1.00 0.00 C ATOM 647 NE2 HIS A 38 -22.670 -4.882 3.682 1.00 0.00 N ATOM 0 H HIS A 38 -20.418 -1.570 1.349 1.00 0.00 H new ATOM 0 HA HIS A 38 -22.569 -2.439 -0.487 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -23.121 -1.014 2.103 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -24.159 -2.086 1.185 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -24.503 -4.373 2.594 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -20.649 -4.646 4.339 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -22.935 -5.746 4.156 1.00 0.00 H new ATOM 656 N PRO A 39 -23.378 0.031 -0.886 1.00 0.00 N ATOM 657 CA PRO A 39 -23.564 1.388 -1.412 1.00 0.00 C ATOM 658 C PRO A 39 -23.356 2.458 -0.344 1.00 0.00 C ATOM 659 O PRO A 39 -22.834 3.537 -0.625 1.00 0.00 O ATOM 660 CB PRO A 39 -25.016 1.386 -1.891 1.00 0.00 C ATOM 661 CG PRO A 39 -25.311 -0.041 -2.202 1.00 0.00 C ATOM 662 CD PRO A 39 -24.512 -0.852 -1.218 1.00 0.00 C ATOM 0 HA PRO A 39 -22.843 1.624 -2.194 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -25.687 1.770 -1.123 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -25.144 2.017 -2.770 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -26.377 -0.249 -2.106 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -25.030 -0.283 -3.227 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -25.098 -1.102 -0.334 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -24.175 -1.793 -1.653 1.00 0.00 H new ATOM 670 N SER A 40 -23.769 2.152 0.883 1.00 0.00 N ATOM 671 CA SER A 40 -23.628 3.088 1.995 1.00 0.00 C ATOM 672 C SER A 40 -23.797 2.374 3.332 1.00 0.00 C ATOM 673 O SER A 40 -23.949 1.151 3.377 1.00 0.00 O ATOM 674 CB SER A 40 -24.656 4.215 1.873 1.00 0.00 C ATOM 675 OG SER A 40 -24.320 5.304 2.715 1.00 0.00 O ATOM 0 H SER A 40 -24.204 1.264 1.133 1.00 0.00 H new ATOM 0 HA SER A 40 -22.625 3.513 1.955 1.00 0.00 H new ATOM 0 HB2 SER A 40 -24.708 4.554 0.838 1.00 0.00 H new ATOM 0 HB3 SER A 40 -25.645 3.840 2.136 1.00 0.00 H new ATOM 0 HG SER A 40 -24.991 6.012 2.618 1.00 0.00 H new ATOM 681 N ILE A 41 -23.768 3.139 4.420 1.00 0.00 N ATOM 682 CA ILE A 41 -23.920 2.571 5.755 1.00 0.00 C ATOM 683 C ILE A 41 -25.295 1.931 5.920 1.00 0.00 C ATOM 684 O ILE A 41 -25.410 0.828 6.453 1.00 0.00 O ATOM 685 CB ILE A 41 -23.699 3.639 6.850 1.00 0.00 C ATOM 686 CG1 ILE A 41 -22.221 4.031 6.905 1.00 0.00 C ATOM 687 CG2 ILE A 41 -24.163 3.129 8.211 1.00 0.00 C ATOM 688 CD1 ILE A 41 -21.810 4.990 5.811 1.00 0.00 C ATOM 0 H ILE A 41 -23.641 4.151 4.403 1.00 0.00 H new ATOM 0 HA ILE A 41 -23.158 1.801 5.870 1.00 0.00 H new ATOM 0 HB ILE A 41 -24.292 4.518 6.599 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -22.009 4.485 7.873 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -21.612 3.130 6.835 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -23.997 3.899 8.964 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -25.225 2.888 8.167 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -23.599 2.235 8.476 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -20.750 5.224 5.912 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -21.990 4.531 4.839 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -22.394 5.907 5.893 1.00 0.00 H new ATOM 700 N ASN A 42 -26.334 2.616 5.450 1.00 0.00 N ATOM 701 CA ASN A 42 -27.693 2.090 5.540 1.00 0.00 C ATOM 702 C ASN A 42 -27.748 0.674 4.968 1.00 0.00 C ATOM 703 O ASN A 42 -28.563 -0.151 5.379 1.00 0.00 O ATOM 704 CB ASN A 42 -28.667 2.996 4.784 1.00 0.00 C ATOM 705 CG ASN A 42 -28.748 4.385 5.385 1.00 0.00 C ATOM 706 OD1 ASN A 42 -29.533 4.634 6.300 1.00 0.00 O ATOM 707 ND2 ASN A 42 -27.935 5.301 4.871 1.00 0.00 N ATOM 0 H ASN A 42 -26.262 3.531 5.005 1.00 0.00 H new ATOM 0 HA ASN A 42 -27.985 2.061 6.590 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -28.355 3.071 3.742 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -29.658 2.543 4.788 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -27.946 6.254 5.234 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -27.300 5.051 4.113 1.00 0.00 H new ATOM 714 N ASP A 43 -26.864 0.396 4.019 1.00 0.00 N ATOM 715 CA ASP A 43 -26.805 -0.920 3.399 1.00 0.00 C ATOM 716 C ASP A 43 -26.117 -1.921 4.325 1.00 0.00 C ATOM 717 O ASP A 43 -26.516 -3.080 4.404 1.00 0.00 O ATOM 718 CB ASP A 43 -26.072 -0.840 2.060 1.00 0.00 C ATOM 719 CG ASP A 43 -26.677 0.195 1.133 1.00 0.00 C ATOM 720 OD1 ASP A 43 -26.712 1.385 1.512 1.00 0.00 O ATOM 721 OD2 ASP A 43 -27.116 -0.183 0.026 1.00 0.00 O ATOM 0 H ASP A 43 -26.179 1.063 3.663 1.00 0.00 H new ATOM 0 HA ASP A 43 -27.824 -1.265 3.220 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -25.024 -0.598 2.236 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -26.097 -1.816 1.576 1.00 0.00 H new ATOM 726 N TYR A 44 -25.086 -1.462 5.030 1.00 0.00 N ATOM 727 CA TYR A 44 -24.349 -2.316 5.959 1.00 0.00 C ATOM 728 C TYR A 44 -25.201 -2.615 7.191 1.00 0.00 C ATOM 729 O TYR A 44 -25.376 -3.770 7.582 1.00 0.00 O ATOM 730 CB TYR A 44 -23.032 -1.635 6.366 1.00 0.00 C ATOM 731 CG TYR A 44 -22.686 -1.763 7.837 1.00 0.00 C ATOM 732 CD1 TYR A 44 -22.416 -3.004 8.401 1.00 0.00 C ATOM 733 CD2 TYR A 44 -22.630 -0.644 8.657 1.00 0.00 C ATOM 734 CE1 TYR A 44 -22.100 -3.124 9.741 1.00 0.00 C ATOM 735 CE2 TYR A 44 -22.315 -0.757 9.999 1.00 0.00 C ATOM 736 CZ TYR A 44 -22.051 -1.998 10.536 1.00 0.00 C ATOM 737 OH TYR A 44 -21.737 -2.115 11.870 1.00 0.00 O ATOM 0 H TYR A 44 -24.742 -0.503 4.976 1.00 0.00 H new ATOM 0 HA TYR A 44 -24.116 -3.259 5.465 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -22.220 -2.061 5.776 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -23.091 -0.577 6.110 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -22.454 -3.889 7.782 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -22.836 0.331 8.240 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -21.892 -4.096 10.164 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -22.276 0.124 10.623 1.00 0.00 H new ATOM 0 HH TYR A 44 -21.744 -1.228 12.287 1.00 0.00 H new ATOM 747 N ILE A 45 -25.728 -1.554 7.787 1.00 0.00 N ATOM 748 CA ILE A 45 -26.569 -1.660 8.972 1.00 0.00 C ATOM 749 C ILE A 45 -27.809 -2.502 8.694 1.00 0.00 C ATOM 750 O ILE A 45 -28.036 -3.539 9.317 1.00 0.00 O ATOM 751 CB ILE A 45 -27.009 -0.247 9.435 1.00 0.00 C ATOM 752 CG1 ILE A 45 -25.892 0.421 10.233 1.00 0.00 C ATOM 753 CG2 ILE A 45 -28.301 -0.291 10.250 1.00 0.00 C ATOM 754 CD1 ILE A 45 -26.037 1.924 10.322 1.00 0.00 C ATOM 0 H ILE A 45 -25.585 -0.597 7.464 1.00 0.00 H new ATOM 0 HA ILE A 45 -25.985 -2.145 9.755 1.00 0.00 H new ATOM 0 HB ILE A 45 -27.209 0.345 8.542 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -25.875 0.004 11.240 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -24.933 0.182 9.773 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -28.574 0.719 10.554 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -29.100 -0.715 9.642 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -28.152 -0.909 11.135 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -25.211 2.335 10.902 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -26.024 2.351 9.319 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -26.981 2.170 10.809 1.00 0.00 H new ATOM 766 N HIS A 46 -28.611 -2.015 7.768 1.00 0.00 N ATOM 767 CA HIS A 46 -29.858 -2.657 7.385 1.00 0.00 C ATOM 768 C HIS A 46 -29.627 -3.918 6.555 1.00 0.00 C ATOM 769 O HIS A 46 -30.473 -4.813 6.527 1.00 0.00 O ATOM 770 CB HIS A 46 -30.726 -1.642 6.642 1.00 0.00 C ATOM 771 CG HIS A 46 -30.791 -0.324 7.360 1.00 0.00 C ATOM 772 ND1 HIS A 46 -31.917 0.129 8.014 1.00 0.00 N ATOM 773 CD2 HIS A 46 -29.840 0.622 7.567 1.00 0.00 C ATOM 774 CE1 HIS A 46 -31.649 1.289 8.589 1.00 0.00 C ATOM 775 NE2 HIS A 46 -30.400 1.607 8.330 1.00 0.00 N ATOM 0 H HIS A 46 -28.416 -1.156 7.255 1.00 0.00 H new ATOM 0 HA HIS A 46 -30.376 -2.986 8.286 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -30.327 -1.489 5.639 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -31.733 -2.042 6.527 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -28.826 0.600 7.196 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -32.341 1.877 9.174 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -29.926 2.452 8.647 1.00 0.00 H new ATOM 784 N SER A 47 -28.478 -3.991 5.885 1.00 0.00 N ATOM 785 CA SER A 47 -28.137 -5.152 5.060 1.00 0.00 C ATOM 786 C SER A 47 -28.871 -5.116 3.724 1.00 0.00 C ATOM 787 O SER A 47 -29.814 -5.877 3.500 1.00 0.00 O ATOM 788 CB SER A 47 -28.458 -6.456 5.798 1.00 0.00 C ATOM 789 OG SER A 47 -27.673 -7.527 5.307 1.00 0.00 O ATOM 0 H SER A 47 -27.766 -3.260 5.896 1.00 0.00 H new ATOM 0 HA SER A 47 -27.065 -5.112 4.864 1.00 0.00 H new ATOM 0 HB2 SER A 47 -28.276 -6.328 6.865 1.00 0.00 H new ATOM 0 HB3 SER A 47 -29.515 -6.693 5.681 1.00 0.00 H new ATOM 0 HG SER A 47 -27.896 -8.347 5.795 1.00 0.00 H new ATOM 795 N THR A 48 -28.425 -4.235 2.835 1.00 0.00 N ATOM 796 CA THR A 48 -29.031 -4.104 1.516 1.00 0.00 C ATOM 797 C THR A 48 -27.999 -4.364 0.422 1.00 0.00 C ATOM 798 O THR A 48 -26.946 -3.728 0.385 1.00 0.00 O ATOM 799 CB THR A 48 -29.640 -2.712 1.341 1.00 0.00 C ATOM 800 OG1 THR A 48 -28.626 -1.731 1.218 1.00 0.00 O ATOM 801 CG2 THR A 48 -30.538 -2.304 2.490 1.00 0.00 C ATOM 0 H THR A 48 -27.645 -3.600 3.005 1.00 0.00 H new ATOM 0 HA THR A 48 -29.824 -4.847 1.432 1.00 0.00 H new ATOM 0 HB THR A 48 -30.241 -2.772 0.434 1.00 0.00 H new ATOM 0 HG1 THR A 48 -28.576 -1.427 0.288 1.00 0.00 H new ATOM 0 HG21 THR A 48 -30.937 -1.307 2.303 1.00 0.00 H new ATOM 0 HG22 THR A 48 -31.361 -3.014 2.579 1.00 0.00 H new ATOM 0 HG23 THR A 48 -29.963 -2.297 3.416 1.00 0.00 H new ATOM 809 N HIS A 49 -28.309 -5.315 -0.457 1.00 0.00 N ATOM 810 CA HIS A 49 -27.419 -5.688 -1.554 1.00 0.00 C ATOM 811 C HIS A 49 -26.202 -6.430 -1.021 1.00 0.00 C ATOM 812 O HIS A 49 -25.959 -7.586 -1.373 1.00 0.00 O ATOM 813 CB HIS A 49 -26.982 -4.453 -2.351 1.00 0.00 C ATOM 814 CG HIS A 49 -27.763 -4.248 -3.612 1.00 0.00 C ATOM 815 ND1 HIS A 49 -28.228 -5.288 -4.388 1.00 0.00 N ATOM 816 CD2 HIS A 49 -28.161 -3.112 -4.234 1.00 0.00 C ATOM 817 CE1 HIS A 49 -28.878 -4.803 -5.432 1.00 0.00 C ATOM 818 NE2 HIS A 49 -28.852 -3.485 -5.360 1.00 0.00 N ATOM 0 H HIS A 49 -29.179 -5.846 -0.429 1.00 0.00 H new ATOM 0 HA HIS A 49 -27.968 -6.349 -2.225 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -27.085 -3.569 -1.722 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -25.925 -4.546 -2.599 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -27.970 -2.101 -3.905 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -29.349 -5.385 -6.210 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -29.277 -2.847 -6.033 1.00 0.00 H new ATOM 827 N GLY A 50 -25.452 -5.756 -0.166 1.00 0.00 N ATOM 828 CA GLY A 50 -24.266 -6.344 0.431 1.00 0.00 C ATOM 829 C GLY A 50 -23.396 -7.081 -0.567 1.00 0.00 C ATOM 830 O GLY A 50 -23.564 -8.282 -0.780 1.00 0.00 O ATOM 0 H GLY A 50 -25.644 -4.799 0.131 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -23.678 -5.558 0.904 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -24.568 -7.034 1.219 1.00 0.00 H new ATOM 834 N LYS A 51 -22.463 -6.361 -1.175 1.00 0.00 N ATOM 835 CA LYS A 51 -21.558 -6.958 -2.150 1.00 0.00 C ATOM 836 C LYS A 51 -20.375 -7.623 -1.451 1.00 0.00 C ATOM 837 O LYS A 51 -19.741 -7.024 -0.581 1.00 0.00 O ATOM 838 CB LYS A 51 -21.061 -5.897 -3.134 1.00 0.00 C ATOM 839 CG LYS A 51 -21.676 -6.017 -4.519 1.00 0.00 C ATOM 840 CD LYS A 51 -21.105 -7.204 -5.282 1.00 0.00 C ATOM 841 CE LYS A 51 -20.534 -6.782 -6.626 1.00 0.00 C ATOM 842 NZ LYS A 51 -20.330 -7.946 -7.533 1.00 0.00 N ATOM 0 H LYS A 51 -22.312 -5.365 -1.012 1.00 0.00 H new ATOM 0 HA LYS A 51 -22.106 -7.721 -2.703 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -21.282 -4.908 -2.732 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.977 -5.972 -3.219 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -22.757 -6.126 -4.430 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -21.493 -5.101 -5.080 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -20.325 -7.678 -4.687 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -21.886 -7.949 -5.435 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -21.208 -6.067 -7.098 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -19.584 -6.271 -6.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -20.053 -7.607 -8.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -19.580 -8.557 -7.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -21.214 -8.488 -7.606 1.00 0.00 H new ATOM 856 N GLU A 52 -20.084 -8.861 -1.835 1.00 0.00 N ATOM 857 CA GLU A 52 -18.977 -9.606 -1.244 1.00 0.00 C ATOM 858 C GLU A 52 -18.114 -10.246 -2.323 1.00 0.00 C ATOM 859 O GLU A 52 -18.620 -10.862 -3.261 1.00 0.00 O ATOM 860 CB GLU A 52 -19.505 -10.680 -0.292 1.00 0.00 C ATOM 861 CG GLU A 52 -20.341 -11.746 -0.982 1.00 0.00 C ATOM 862 CD GLU A 52 -21.651 -12.015 -0.269 1.00 0.00 C ATOM 863 OE1 GLU A 52 -21.638 -12.744 0.744 1.00 0.00 O ATOM 864 OE2 GLU A 52 -22.692 -11.494 -0.723 1.00 0.00 O ATOM 0 H GLU A 52 -20.599 -9.370 -2.553 1.00 0.00 H new ATOM 0 HA GLU A 52 -18.361 -8.904 -0.681 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -18.662 -11.158 0.207 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -20.106 -10.204 0.483 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -20.547 -11.434 -2.006 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -19.767 -12.671 -1.040 1.00 0.00 H new ATOM 871 N MET A 53 -16.805 -10.089 -2.180 1.00 0.00 N ATOM 872 CA MET A 53 -15.855 -10.639 -3.134 1.00 0.00 C ATOM 873 C MET A 53 -14.930 -11.641 -2.445 1.00 0.00 C ATOM 874 O MET A 53 -14.212 -11.293 -1.508 1.00 0.00 O ATOM 875 CB MET A 53 -15.048 -9.504 -3.773 1.00 0.00 C ATOM 876 CG MET A 53 -13.655 -9.905 -4.236 1.00 0.00 C ATOM 877 SD MET A 53 -13.117 -9.012 -5.706 1.00 0.00 S ATOM 878 CE MET A 53 -13.977 -7.461 -5.481 1.00 0.00 C ATOM 0 H MET A 53 -16.376 -9.581 -1.406 1.00 0.00 H new ATOM 0 HA MET A 53 -16.399 -11.165 -3.918 1.00 0.00 H new ATOM 0 HB2 MET A 53 -15.603 -9.116 -4.627 1.00 0.00 H new ATOM 0 HB3 MET A 53 -14.958 -8.689 -3.054 1.00 0.00 H new ATOM 0 HG2 MET A 53 -12.945 -9.726 -3.429 1.00 0.00 H new ATOM 0 HG3 MET A 53 -13.641 -10.975 -4.442 1.00 0.00 H new ATOM 0 HE1 MET A 53 -13.577 -6.719 -6.173 1.00 0.00 H new ATOM 0 HE2 MET A 53 -15.040 -7.603 -5.676 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.839 -7.114 -4.457 1.00 0.00 H new ATOM 888 N ASP A 54 -14.952 -12.884 -2.917 1.00 0.00 N ATOM 889 CA ASP A 54 -14.114 -13.932 -2.345 1.00 0.00 C ATOM 890 C ASP A 54 -12.645 -13.526 -2.385 1.00 0.00 C ATOM 891 O ASP A 54 -12.140 -13.086 -3.417 1.00 0.00 O ATOM 892 CB ASP A 54 -14.313 -15.246 -3.103 1.00 0.00 C ATOM 893 CG ASP A 54 -13.731 -16.434 -2.363 1.00 0.00 C ATOM 894 OD1 ASP A 54 -13.797 -16.446 -1.116 1.00 0.00 O ATOM 895 OD2 ASP A 54 -13.213 -17.354 -3.029 1.00 0.00 O ATOM 0 H ASP A 54 -15.540 -13.189 -3.693 1.00 0.00 H new ATOM 0 HA ASP A 54 -14.409 -14.075 -1.305 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.378 -15.410 -3.267 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -13.847 -15.170 -4.085 1.00 0.00 H new ATOM 900 N LEU A 55 -11.963 -13.669 -1.253 1.00 0.00 N ATOM 901 CA LEU A 55 -10.553 -13.308 -1.164 1.00 0.00 C ATOM 902 C LEU A 55 -9.652 -14.519 -1.392 1.00 0.00 C ATOM 903 O LEU A 55 -8.511 -14.542 -0.942 1.00 0.00 O ATOM 904 CB LEU A 55 -10.248 -12.687 0.198 1.00 0.00 C ATOM 905 CG LEU A 55 -10.714 -11.241 0.370 1.00 0.00 C ATOM 906 CD1 LEU A 55 -10.690 -10.844 1.840 1.00 0.00 C ATOM 907 CD2 LEU A 55 -9.843 -10.302 -0.452 1.00 0.00 C ATOM 0 H LEU A 55 -12.363 -14.031 -0.387 1.00 0.00 H new ATOM 0 HA LEU A 55 -10.349 -12.578 -1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.715 -13.297 0.971 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.172 -12.728 0.366 1.00 0.00 H new ATOM 0 HG LEU A 55 -11.740 -11.163 0.011 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.025 -9.812 1.944 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.353 -11.499 2.405 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.675 -10.937 2.225 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.187 -9.276 -0.319 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.808 -10.383 -0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.909 -10.573 -1.506 1.00 0.00 H new ATOM 919 N LEU A 56 -10.169 -15.523 -2.093 1.00 0.00 N ATOM 920 CA LEU A 56 -9.396 -16.728 -2.374 1.00 0.00 C ATOM 921 C LEU A 56 -8.494 -16.521 -3.587 1.00 0.00 C ATOM 922 O LEU A 56 -7.275 -16.670 -3.498 1.00 0.00 O ATOM 923 CB LEU A 56 -10.331 -17.916 -2.615 1.00 0.00 C ATOM 924 CG LEU A 56 -9.643 -19.282 -2.659 1.00 0.00 C ATOM 925 CD1 LEU A 56 -8.941 -19.569 -1.342 1.00 0.00 C ATOM 926 CD2 LEU A 56 -10.653 -20.375 -2.976 1.00 0.00 C ATOM 0 H LEU A 56 -11.115 -15.527 -2.475 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.770 -16.940 -1.508 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -11.085 -17.931 -1.828 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -10.857 -17.760 -3.557 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.893 -19.265 -3.450 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.458 -20.545 -1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.190 -18.801 -1.155 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.671 -19.567 -0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -10.148 -21.340 -3.004 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -11.425 -20.391 -2.207 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.111 -20.177 -3.945 1.00 0.00 H new ATOM 938 N ARG A 57 -9.101 -16.171 -4.714 1.00 0.00 N ATOM 939 CA ARG A 57 -8.354 -15.938 -5.945 1.00 0.00 C ATOM 940 C ARG A 57 -8.553 -14.503 -6.424 1.00 0.00 C ATOM 941 O ARG A 57 -8.976 -14.266 -7.556 1.00 0.00 O ATOM 942 CB ARG A 57 -8.795 -16.923 -7.028 1.00 0.00 C ATOM 943 CG ARG A 57 -8.648 -18.381 -6.617 1.00 0.00 C ATOM 944 CD ARG A 57 -9.206 -19.317 -7.675 1.00 0.00 C ATOM 945 NE ARG A 57 -10.653 -19.183 -7.819 1.00 0.00 N ATOM 946 CZ ARG A 57 -11.432 -20.105 -8.381 1.00 0.00 C ATOM 947 NH1 ARG A 57 -10.907 -21.229 -8.855 1.00 0.00 N ATOM 948 NH2 ARG A 57 -12.740 -19.903 -8.470 1.00 0.00 N ATOM 0 H ARG A 57 -10.109 -16.042 -4.802 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.294 -16.093 -5.742 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.837 -16.729 -7.283 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.208 -16.747 -7.929 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.595 -18.608 -6.448 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.166 -18.548 -5.673 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.726 -19.109 -8.631 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.962 -20.346 -7.413 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.093 -18.332 -7.468 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.902 -21.390 -8.790 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.509 -21.932 -9.284 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.149 -19.041 -8.108 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.337 -20.609 -8.901 1.00 0.00 H new ATOM 962 N THR A 58 -8.250 -13.551 -5.550 1.00 0.00 N ATOM 963 CA THR A 58 -8.395 -12.136 -5.873 1.00 0.00 C ATOM 964 C THR A 58 -7.039 -11.485 -6.103 1.00 0.00 C ATOM 965 O THR A 58 -6.004 -12.016 -5.701 1.00 0.00 O ATOM 966 CB THR A 58 -9.135 -11.407 -4.750 1.00 0.00 C ATOM 967 OG1 THR A 58 -8.967 -12.086 -3.520 1.00 0.00 O ATOM 968 CG2 THR A 58 -10.621 -11.267 -4.998 1.00 0.00 C ATOM 0 H THR A 58 -7.901 -13.734 -4.609 1.00 0.00 H new ATOM 0 HA THR A 58 -8.975 -12.061 -6.793 1.00 0.00 H new ATOM 0 HB THR A 58 -8.697 -10.410 -4.717 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.437 -12.945 -3.554 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.081 -10.741 -4.162 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.785 -10.703 -5.916 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.069 -12.256 -5.095 1.00 0.00 H new ATOM 976 N THR A 59 -7.053 -10.325 -6.751 1.00 0.00 N ATOM 977 CA THR A 59 -5.825 -9.593 -7.034 1.00 0.00 C ATOM 978 C THR A 59 -5.970 -8.125 -6.649 1.00 0.00 C ATOM 979 O THR A 59 -7.072 -7.651 -6.367 1.00 0.00 O ATOM 980 CB THR A 59 -5.463 -9.712 -8.516 1.00 0.00 C ATOM 981 OG1 THR A 59 -6.173 -10.776 -9.124 1.00 0.00 O ATOM 982 CG2 THR A 59 -3.987 -9.949 -8.753 1.00 0.00 C ATOM 0 H THR A 59 -7.902 -9.872 -7.090 1.00 0.00 H new ATOM 0 HA THR A 59 -5.024 -10.030 -6.438 1.00 0.00 H new ATOM 0 HB THR A 59 -5.737 -8.754 -8.958 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.928 -10.833 -10.071 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.798 -10.024 -9.824 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.414 -9.118 -8.341 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.684 -10.876 -8.265 1.00 0.00 H new ATOM 990 N VAL A 60 -4.853 -7.407 -6.644 1.00 0.00 N ATOM 991 CA VAL A 60 -4.851 -5.992 -6.300 1.00 0.00 C ATOM 992 C VAL A 60 -4.168 -5.171 -7.388 1.00 0.00 C ATOM 993 O VAL A 60 -3.025 -5.442 -7.756 1.00 0.00 O ATOM 994 CB VAL A 60 -4.138 -5.739 -4.957 1.00 0.00 C ATOM 995 CG1 VAL A 60 -4.315 -4.294 -4.519 1.00 0.00 C ATOM 996 CG2 VAL A 60 -4.654 -6.693 -3.891 1.00 0.00 C ATOM 0 H VAL A 60 -3.934 -7.784 -6.875 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.893 -5.684 -6.210 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.072 -5.924 -5.094 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.804 -4.137 -3.569 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.891 -3.631 -5.273 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.377 -4.077 -4.400 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.139 -6.500 -2.950 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.725 -6.543 -3.756 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.468 -7.721 -4.202 1.00 0.00 H new ATOM 1407 N PHE A 90 -4.081 7.942 -3.569 1.00 0.00 N ATOM 1408 CA PHE A 90 -4.261 6.650 -2.915 1.00 0.00 C ATOM 1409 C PHE A 90 -5.549 5.974 -3.377 1.00 0.00 C ATOM 1410 O PHE A 90 -6.644 6.344 -2.955 1.00 0.00 O ATOM 1411 CB PHE A 90 -4.278 6.832 -1.394 1.00 0.00 C ATOM 1412 CG PHE A 90 -2.908 6.878 -0.773 1.00 0.00 C ATOM 1413 CD1 PHE A 90 -1.824 7.383 -1.478 1.00 0.00 C ATOM 1414 CD2 PHE A 90 -2.705 6.417 0.516 1.00 0.00 C ATOM 1415 CE1 PHE A 90 -0.567 7.426 -0.904 1.00 0.00 C ATOM 1416 CE2 PHE A 90 -1.451 6.458 1.094 1.00 0.00 C ATOM 1417 CZ PHE A 90 -0.381 6.963 0.383 1.00 0.00 C ATOM 0 HA PHE A 90 -3.424 6.008 -3.192 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -4.807 7.754 -1.154 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.843 6.015 -0.946 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -1.964 7.746 -2.485 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.538 6.020 1.077 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.269 7.822 -1.462 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -1.308 6.095 2.101 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.600 6.996 0.833 1.00 0.00 H new ATOM 1427 N GLU A 91 -5.404 4.975 -4.244 1.00 0.00 N ATOM 1428 CA GLU A 91 -6.547 4.232 -4.770 1.00 0.00 C ATOM 1429 C GLU A 91 -6.138 2.802 -5.118 1.00 0.00 C ATOM 1430 O GLU A 91 -5.140 2.584 -5.807 1.00 0.00 O ATOM 1431 CB GLU A 91 -7.115 4.929 -6.011 1.00 0.00 C ATOM 1432 CG GLU A 91 -7.266 6.435 -5.858 1.00 0.00 C ATOM 1433 CD GLU A 91 -5.959 7.179 -6.048 1.00 0.00 C ATOM 1434 OE1 GLU A 91 -5.079 6.663 -6.768 1.00 0.00 O ATOM 1435 OE2 GLU A 91 -5.816 8.280 -5.474 1.00 0.00 O ATOM 0 H GLU A 91 -4.501 4.660 -4.599 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.318 4.201 -4.001 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.464 4.724 -6.861 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.089 4.498 -6.244 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.994 6.798 -6.583 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.664 6.657 -4.868 1.00 0.00 H new ATOM 1442 N PHE A 92 -6.908 1.828 -4.637 1.00 0.00 N ATOM 1443 CA PHE A 92 -6.609 0.422 -4.900 1.00 0.00 C ATOM 1444 C PHE A 92 -7.804 -0.289 -5.531 1.00 0.00 C ATOM 1445 O PHE A 92 -8.952 0.114 -5.338 1.00 0.00 O ATOM 1446 CB PHE A 92 -6.192 -0.290 -3.608 1.00 0.00 C ATOM 1447 CG PHE A 92 -7.295 -0.414 -2.593 1.00 0.00 C ATOM 1448 CD1 PHE A 92 -8.264 -1.396 -2.721 1.00 0.00 C ATOM 1449 CD2 PHE A 92 -7.362 0.451 -1.511 1.00 0.00 C ATOM 1450 CE1 PHE A 92 -9.281 -1.514 -1.790 1.00 0.00 C ATOM 1451 CE2 PHE A 92 -8.376 0.338 -0.578 1.00 0.00 C ATOM 1452 CZ PHE A 92 -9.337 -0.646 -0.717 1.00 0.00 C ATOM 0 H PHE A 92 -7.739 1.985 -4.066 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.780 0.385 -5.607 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.827 -1.287 -3.856 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.359 0.252 -3.160 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -8.225 -2.078 -3.558 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -6.614 1.221 -1.396 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -10.030 -2.284 -1.902 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.417 1.019 0.260 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.129 -0.736 0.011 1.00 0.00 H new ATOM 1462 N LEU A 93 -7.524 -1.346 -6.290 1.00 0.00 N ATOM 1463 CA LEU A 93 -8.574 -2.113 -6.957 1.00 0.00 C ATOM 1464 C LEU A 93 -8.589 -3.562 -6.475 1.00 0.00 C ATOM 1465 O LEU A 93 -7.539 -4.152 -6.217 1.00 0.00 O ATOM 1466 CB LEU A 93 -8.375 -2.072 -8.472 1.00 0.00 C ATOM 1467 CG LEU A 93 -8.800 -0.764 -9.148 1.00 0.00 C ATOM 1468 CD1 LEU A 93 -7.627 -0.136 -9.887 1.00 0.00 C ATOM 1469 CD2 LEU A 93 -9.961 -1.004 -10.100 1.00 0.00 C ATOM 0 H LEU A 93 -6.579 -1.691 -6.459 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.533 -1.659 -6.707 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.322 -2.250 -8.690 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.936 -2.893 -8.919 1.00 0.00 H new ATOM 0 HG LEU A 93 -9.129 -0.072 -8.373 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.950 0.792 -10.360 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.824 0.077 -9.181 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.266 -0.826 -10.650 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.247 -0.063 -10.569 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.660 -1.716 -10.869 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.809 -1.406 -9.545 1.00 0.00 H new ATOM 1481 N ILE A 94 -9.790 -4.126 -6.362 1.00 0.00 N ATOM 1482 CA ILE A 94 -9.956 -5.507 -5.916 1.00 0.00 C ATOM 1483 C ILE A 94 -10.526 -6.366 -7.041 1.00 0.00 C ATOM 1484 O ILE A 94 -11.693 -6.233 -7.395 1.00 0.00 O ATOM 1485 CB ILE A 94 -10.905 -5.579 -4.701 1.00 0.00 C ATOM 1486 CG1 ILE A 94 -10.596 -4.454 -3.710 1.00 0.00 C ATOM 1487 CG2 ILE A 94 -10.811 -6.935 -4.017 1.00 0.00 C ATOM 1488 CD1 ILE A 94 -9.226 -4.565 -3.078 1.00 0.00 C ATOM 0 H ILE A 94 -10.665 -3.646 -6.574 1.00 0.00 H new ATOM 0 HA ILE A 94 -8.974 -5.884 -5.629 1.00 0.00 H new ATOM 0 HB ILE A 94 -11.926 -5.452 -5.061 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -10.673 -3.496 -4.224 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -11.351 -4.456 -2.924 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -11.489 -6.960 -3.164 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -11.087 -7.718 -4.723 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -9.790 -7.099 -3.673 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -9.076 -3.735 -2.387 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.151 -5.507 -2.535 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -8.463 -4.533 -3.856 1.00 0.00 H new ATOM 1500 N VAL A 95 -9.703 -7.245 -7.603 1.00 0.00 N ATOM 1501 CA VAL A 95 -10.154 -8.106 -8.693 1.00 0.00 C ATOM 1502 C VAL A 95 -10.466 -9.515 -8.203 1.00 0.00 C ATOM 1503 O VAL A 95 -9.685 -10.116 -7.467 1.00 0.00 O ATOM 1504 CB VAL A 95 -9.107 -8.188 -9.825 1.00 0.00 C ATOM 1505 CG1 VAL A 95 -9.575 -9.131 -10.926 1.00 0.00 C ATOM 1506 CG2 VAL A 95 -8.825 -6.804 -10.387 1.00 0.00 C ATOM 0 H VAL A 95 -8.731 -7.380 -7.327 1.00 0.00 H new ATOM 0 HA VAL A 95 -11.066 -7.654 -9.083 1.00 0.00 H new ATOM 0 HB VAL A 95 -8.182 -8.587 -9.409 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -8.822 -9.173 -11.713 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.724 -10.128 -10.512 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -10.514 -8.767 -11.342 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -8.085 -6.879 -11.184 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -9.746 -6.379 -10.786 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -8.441 -6.161 -9.595 1.00 0.00 H new ATOM 1516 N SER A 96 -11.608 -10.038 -8.635 1.00 0.00 N ATOM 1517 CA SER A 96 -12.028 -11.381 -8.262 1.00 0.00 C ATOM 1518 C SER A 96 -11.727 -12.360 -9.390 1.00 0.00 C ATOM 1519 O SER A 96 -11.102 -11.999 -10.385 1.00 0.00 O ATOM 1520 CB SER A 96 -13.522 -11.403 -7.929 1.00 0.00 C ATOM 1521 OG SER A 96 -14.186 -10.281 -8.484 1.00 0.00 O ATOM 0 H SER A 96 -12.261 -9.549 -9.247 1.00 0.00 H new ATOM 0 HA SER A 96 -11.471 -11.683 -7.375 1.00 0.00 H new ATOM 0 HB2 SER A 96 -13.969 -12.320 -8.312 1.00 0.00 H new ATOM 0 HB3 SER A 96 -13.656 -11.410 -6.847 1.00 0.00 H new ATOM 0 HG SER A 96 -14.109 -9.520 -7.872 1.00 0.00 H new ATOM 1527 N SER A 97 -12.173 -13.601 -9.232 1.00 0.00 N ATOM 1528 CA SER A 97 -11.941 -14.624 -10.243 1.00 0.00 C ATOM 1529 C SER A 97 -13.010 -14.590 -11.332 1.00 0.00 C ATOM 1530 O SER A 97 -12.920 -15.322 -12.318 1.00 0.00 O ATOM 1531 CB SER A 97 -11.896 -16.011 -9.598 1.00 0.00 C ATOM 1532 OG SER A 97 -10.561 -16.427 -9.373 1.00 0.00 O ATOM 0 H SER A 97 -12.695 -13.922 -8.417 1.00 0.00 H new ATOM 0 HA SER A 97 -10.978 -14.413 -10.709 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.439 -15.993 -8.653 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.401 -16.731 -10.242 1.00 0.00 H new ATOM 0 HG SER A 97 -10.436 -17.331 -9.729 1.00 0.00 H new ATOM 1538 N THR A 98 -14.019 -13.740 -11.161 1.00 0.00 N ATOM 1539 CA THR A 98 -15.085 -13.630 -12.148 1.00 0.00 C ATOM 1540 C THR A 98 -15.001 -12.313 -12.907 1.00 0.00 C ATOM 1541 O THR A 98 -15.991 -11.843 -13.469 1.00 0.00 O ATOM 1542 CB THR A 98 -16.455 -13.768 -11.479 1.00 0.00 C ATOM 1543 OG1 THR A 98 -17.487 -13.782 -12.448 1.00 0.00 O ATOM 1544 CG2 THR A 98 -16.757 -12.656 -10.499 1.00 0.00 C ATOM 0 H THR A 98 -14.119 -13.123 -10.355 1.00 0.00 H new ATOM 0 HA THR A 98 -14.959 -14.443 -12.864 1.00 0.00 H new ATOM 0 HB THR A 98 -16.416 -14.710 -10.932 1.00 0.00 H new ATOM 0 HG1 THR A 98 -17.296 -13.113 -13.139 1.00 0.00 H new ATOM 0 HG21 THR A 98 -17.742 -12.815 -10.061 1.00 0.00 H new ATOM 0 HG22 THR A 98 -16.005 -12.653 -9.710 1.00 0.00 H new ATOM 0 HG23 THR A 98 -16.741 -11.698 -11.019 1.00 0.00 H new ATOM 1552 N GLY A 99 -13.810 -11.727 -12.926 1.00 0.00 N ATOM 1553 CA GLY A 99 -13.612 -10.472 -13.631 1.00 0.00 C ATOM 1554 C GLY A 99 -14.071 -9.255 -12.842 1.00 0.00 C ATOM 1555 O GLY A 99 -13.674 -8.131 -13.151 1.00 0.00 O ATOM 0 H GLY A 99 -12.978 -12.097 -12.467 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -12.554 -10.362 -13.871 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -14.152 -10.507 -14.577 1.00 0.00 H new ATOM 1559 N GLN A 100 -14.906 -9.469 -11.827 1.00 0.00 N ATOM 1560 CA GLN A 100 -15.405 -8.367 -11.011 1.00 0.00 C ATOM 1561 C GLN A 100 -14.250 -7.589 -10.392 1.00 0.00 C ATOM 1562 O GLN A 100 -13.326 -8.176 -9.831 1.00 0.00 O ATOM 1563 CB GLN A 100 -16.333 -8.894 -9.913 1.00 0.00 C ATOM 1564 CG GLN A 100 -17.734 -8.306 -9.965 1.00 0.00 C ATOM 1565 CD GLN A 100 -18.793 -9.342 -10.286 1.00 0.00 C ATOM 1566 OE1 GLN A 100 -19.254 -9.444 -11.422 1.00 0.00 O ATOM 1567 NE2 GLN A 100 -19.185 -10.117 -9.280 1.00 0.00 N ATOM 0 H GLN A 100 -15.249 -10.390 -11.552 1.00 0.00 H new ATOM 0 HA GLN A 100 -15.970 -7.694 -11.656 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -16.400 -9.979 -9.996 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -15.892 -8.675 -8.940 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -17.965 -7.842 -9.006 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -17.764 -7.517 -10.716 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -18.775 -9.997 -8.354 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -19.896 -10.832 -9.434 1.00 0.00 H new ATOM 1576 N THR A 101 -14.305 -6.266 -10.502 1.00 0.00 N ATOM 1577 CA THR A 101 -13.254 -5.418 -9.956 1.00 0.00 C ATOM 1578 C THR A 101 -13.831 -4.290 -9.106 1.00 0.00 C ATOM 1579 O THR A 101 -14.516 -3.402 -9.614 1.00 0.00 O ATOM 1580 CB THR A 101 -12.404 -4.834 -11.087 1.00 0.00 C ATOM 1581 OG1 THR A 101 -12.006 -5.849 -11.991 1.00 0.00 O ATOM 1582 CG2 THR A 101 -11.151 -4.141 -10.595 1.00 0.00 C ATOM 0 H THR A 101 -15.062 -5.761 -10.962 1.00 0.00 H new ATOM 0 HA THR A 101 -12.627 -6.038 -9.315 1.00 0.00 H new ATOM 0 HB THR A 101 -13.041 -4.097 -11.577 1.00 0.00 H new ATOM 0 HG1 THR A 101 -11.465 -5.455 -12.707 1.00 0.00 H new ATOM 0 HG21 THR A 101 -10.594 -3.750 -11.446 1.00 0.00 H new ATOM 0 HG22 THR A 101 -11.425 -3.320 -9.932 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.530 -4.854 -10.052 1.00 0.00 H new ATOM 1590 N TRP A 102 -13.532 -4.323 -7.812 1.00 0.00 N ATOM 1591 CA TRP A 102 -13.999 -3.299 -6.888 1.00 0.00 C ATOM 1592 C TRP A 102 -12.950 -2.210 -6.739 1.00 0.00 C ATOM 1593 O TRP A 102 -11.933 -2.410 -6.074 1.00 0.00 O ATOM 1594 CB TRP A 102 -14.277 -3.893 -5.511 1.00 0.00 C ATOM 1595 CG TRP A 102 -15.365 -4.919 -5.476 1.00 0.00 C ATOM 1596 CD1 TRP A 102 -16.019 -5.480 -6.537 1.00 0.00 C ATOM 1597 CD2 TRP A 102 -15.918 -5.511 -4.303 1.00 0.00 C ATOM 1598 NE1 TRP A 102 -16.948 -6.391 -6.083 1.00 0.00 N ATOM 1599 CE2 TRP A 102 -16.906 -6.422 -4.714 1.00 0.00 C ATOM 1600 CE3 TRP A 102 -15.671 -5.356 -2.939 1.00 0.00 C ATOM 1601 CZ2 TRP A 102 -17.646 -7.172 -3.802 1.00 0.00 C ATOM 1602 CZ3 TRP A 102 -16.408 -6.103 -2.044 1.00 0.00 C ATOM 1603 CH2 TRP A 102 -17.378 -6.995 -2.478 1.00 0.00 C ATOM 0 H TRP A 102 -12.965 -5.052 -7.379 1.00 0.00 H new ATOM 0 HA TRP A 102 -14.920 -2.881 -7.295 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -13.359 -4.345 -5.134 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -14.538 -3.084 -4.828 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -15.835 -5.245 -7.575 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -17.566 -6.951 -6.670 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -14.918 -4.665 -2.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -18.403 -7.867 -4.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -16.227 -5.991 -0.985 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -17.935 -7.563 -1.748 1.00 0.00 H new ATOM 1614 N HIS A 103 -13.192 -1.057 -7.342 1.00 0.00 N ATOM 1615 CA HIS A 103 -12.248 0.042 -7.244 1.00 0.00 C ATOM 1616 C HIS A 103 -12.635 0.987 -6.112 1.00 0.00 C ATOM 1617 O HIS A 103 -13.698 1.605 -6.145 1.00 0.00 O ATOM 1618 CB HIS A 103 -12.169 0.809 -8.564 1.00 0.00 C ATOM 1619 CG HIS A 103 -11.010 1.750 -8.607 1.00 0.00 C ATOM 1620 ND1 HIS A 103 -10.140 1.898 -7.552 1.00 0.00 N ATOM 1621 CD2 HIS A 103 -10.582 2.599 -9.571 1.00 0.00 C ATOM 1622 CE1 HIS A 103 -9.230 2.798 -7.855 1.00 0.00 C ATOM 1623 NE2 HIS A 103 -9.470 3.239 -9.078 1.00 0.00 N ATOM 0 H HIS A 103 -14.024 -0.860 -7.898 1.00 0.00 H new ATOM 0 HA HIS A 103 -11.266 -0.378 -7.027 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -12.089 0.101 -9.389 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -13.093 1.368 -8.712 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -11.029 2.746 -10.543 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -8.424 3.122 -7.214 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -8.920 3.940 -9.575 1.00 0.00 H new ATOM 1632 N PHE A 104 -11.772 1.091 -5.105 1.00 0.00 N ATOM 1633 CA PHE A 104 -12.045 1.959 -3.967 1.00 0.00 C ATOM 1634 C PHE A 104 -10.922 2.961 -3.731 1.00 0.00 C ATOM 1635 O PHE A 104 -9.788 2.770 -4.175 1.00 0.00 O ATOM 1636 CB PHE A 104 -12.246 1.137 -2.690 1.00 0.00 C ATOM 1637 CG PHE A 104 -13.296 0.068 -2.787 1.00 0.00 C ATOM 1638 CD1 PHE A 104 -14.531 0.334 -3.352 1.00 0.00 C ATOM 1639 CD2 PHE A 104 -13.048 -1.204 -2.294 1.00 0.00 C ATOM 1640 CE1 PHE A 104 -15.501 -0.649 -3.429 1.00 0.00 C ATOM 1641 CE2 PHE A 104 -14.013 -2.190 -2.365 1.00 0.00 C ATOM 1642 CZ PHE A 104 -15.241 -1.912 -2.932 1.00 0.00 C ATOM 0 H PHE A 104 -10.885 0.589 -5.055 1.00 0.00 H new ATOM 0 HA PHE A 104 -12.958 2.505 -4.206 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -11.298 0.672 -2.421 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -12.510 1.813 -1.877 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -14.740 1.321 -3.737 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -12.089 -1.427 -1.849 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -16.459 -0.430 -3.876 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -13.807 -3.177 -1.978 1.00 0.00 H new ATOM 0 HZ PHE A 104 -15.997 -2.681 -2.987 1.00 0.00 H new ATOM 1652 N GLU A 105 -11.256 4.019 -2.999 1.00 0.00 N ATOM 1653 CA GLU A 105 -10.300 5.060 -2.653 1.00 0.00 C ATOM 1654 C GLU A 105 -10.314 5.289 -1.147 1.00 0.00 C ATOM 1655 O GLU A 105 -11.273 5.842 -0.604 1.00 0.00 O ATOM 1656 CB GLU A 105 -10.626 6.362 -3.389 1.00 0.00 C ATOM 1657 CG GLU A 105 -9.652 7.490 -3.089 1.00 0.00 C ATOM 1658 CD GLU A 105 -10.199 8.481 -2.081 1.00 0.00 C ATOM 1659 OE1 GLU A 105 -11.423 8.724 -2.089 1.00 0.00 O ATOM 1660 OE2 GLU A 105 -9.400 9.015 -1.281 1.00 0.00 O ATOM 0 H GLU A 105 -12.194 4.177 -2.631 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.305 4.737 -2.959 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -10.630 6.172 -4.462 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -11.633 6.681 -3.118 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -8.720 7.069 -2.710 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.412 8.014 -4.014 1.00 0.00 H new ATOM 1667 N ALA A 106 -9.258 4.841 -0.477 1.00 0.00 N ATOM 1668 CA ALA A 106 -9.150 4.978 0.972 1.00 0.00 C ATOM 1669 C ALA A 106 -9.300 6.430 1.410 1.00 0.00 C ATOM 1670 O ALA A 106 -8.625 7.320 0.893 1.00 0.00 O ATOM 1671 CB ALA A 106 -7.821 4.412 1.453 1.00 0.00 C ATOM 0 H ALA A 106 -8.462 4.378 -0.915 1.00 0.00 H new ATOM 0 HA ALA A 106 -9.964 4.412 1.425 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -7.750 4.519 2.535 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.758 3.357 1.188 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.002 4.955 0.981 1.00 0.00 H new ATOM 1677 N ALA A 107 -10.187 6.661 2.374 1.00 0.00 N ATOM 1678 CA ALA A 107 -10.423 8.002 2.892 1.00 0.00 C ATOM 1679 C ALA A 107 -9.160 8.558 3.541 1.00 0.00 C ATOM 1680 O ALA A 107 -8.910 9.764 3.510 1.00 0.00 O ATOM 1681 CB ALA A 107 -11.573 7.989 3.888 1.00 0.00 C ATOM 0 H ALA A 107 -10.754 5.935 2.812 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.692 8.651 2.059 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -11.738 8.998 4.267 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -12.478 7.634 3.394 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -11.328 7.326 4.718 1.00 0.00 H new ATOM 1687 N SER A 108 -8.362 7.666 4.119 1.00 0.00 N ATOM 1688 CA SER A 108 -7.118 8.054 4.770 1.00 0.00 C ATOM 1689 C SER A 108 -5.925 7.403 4.078 1.00 0.00 C ATOM 1690 O SER A 108 -6.064 6.362 3.434 1.00 0.00 O ATOM 1691 CB SER A 108 -7.145 7.662 6.249 1.00 0.00 C ATOM 1692 OG SER A 108 -7.868 8.608 7.015 1.00 0.00 O ATOM 0 H SER A 108 -8.557 6.665 4.149 1.00 0.00 H new ATOM 0 HA SER A 108 -7.016 9.137 4.695 1.00 0.00 H new ATOM 0 HB2 SER A 108 -7.599 6.677 6.359 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.125 7.587 6.627 1.00 0.00 H new ATOM 0 HG SER A 108 -7.872 8.333 7.956 1.00 0.00 H new ATOM 1698 N PHE A 109 -4.757 8.020 4.208 1.00 0.00 N ATOM 1699 CA PHE A 109 -3.547 7.494 3.586 1.00 0.00 C ATOM 1700 C PHE A 109 -3.148 6.158 4.206 1.00 0.00 C ATOM 1701 O PHE A 109 -2.827 5.205 3.493 1.00 0.00 O ATOM 1702 CB PHE A 109 -2.400 8.496 3.719 1.00 0.00 C ATOM 1703 CG PHE A 109 -2.328 9.475 2.581 1.00 0.00 C ATOM 1704 CD1 PHE A 109 -3.461 10.151 2.160 1.00 0.00 C ATOM 1705 CD2 PHE A 109 -1.128 9.717 1.933 1.00 0.00 C ATOM 1706 CE1 PHE A 109 -3.400 11.050 1.113 1.00 0.00 C ATOM 1707 CE2 PHE A 109 -1.060 10.616 0.883 1.00 0.00 C ATOM 1708 CZ PHE A 109 -2.198 11.282 0.474 1.00 0.00 C ATOM 0 H PHE A 109 -4.621 8.882 4.736 1.00 0.00 H new ATOM 0 HA PHE A 109 -3.756 7.332 2.529 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -2.513 9.045 4.654 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.457 7.952 3.781 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -4.404 9.973 2.656 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -0.236 9.198 2.251 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -4.291 11.571 0.795 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -0.119 10.796 0.385 1.00 0.00 H new ATOM 0 HZ PHE A 109 -2.148 11.984 -0.345 1.00 0.00 H new ATOM 1718 N GLU A 110 -3.169 6.094 5.531 1.00 0.00 N ATOM 1719 CA GLU A 110 -2.809 4.872 6.243 1.00 0.00 C ATOM 1720 C GLU A 110 -3.823 3.765 5.971 1.00 0.00 C ATOM 1721 O GLU A 110 -3.475 2.583 5.936 1.00 0.00 O ATOM 1722 CB GLU A 110 -2.717 5.142 7.748 1.00 0.00 C ATOM 1723 CG GLU A 110 -1.329 4.912 8.323 1.00 0.00 C ATOM 1724 CD GLU A 110 -0.619 6.207 8.668 1.00 0.00 C ATOM 1725 OE1 GLU A 110 0.079 6.755 7.788 1.00 0.00 O ATOM 1726 OE2 GLU A 110 -0.759 6.673 9.818 1.00 0.00 O ATOM 0 H GLU A 110 -3.431 6.873 6.135 1.00 0.00 H new ATOM 0 HA GLU A 110 -1.835 4.542 5.881 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -3.016 6.172 7.943 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -3.428 4.500 8.268 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -1.408 4.296 9.218 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -0.730 4.354 7.604 1.00 0.00 H new ATOM 1733 N GLU A 111 -5.080 4.155 5.784 1.00 0.00 N ATOM 1734 CA GLU A 111 -6.148 3.197 5.520 1.00 0.00 C ATOM 1735 C GLU A 111 -5.954 2.512 4.170 1.00 0.00 C ATOM 1736 O GLU A 111 -6.280 1.338 4.007 1.00 0.00 O ATOM 1737 CB GLU A 111 -7.507 3.897 5.557 1.00 0.00 C ATOM 1738 CG GLU A 111 -8.657 2.971 5.925 1.00 0.00 C ATOM 1739 CD GLU A 111 -9.225 3.262 7.300 1.00 0.00 C ATOM 1740 OE1 GLU A 111 -8.461 3.185 8.286 1.00 0.00 O ATOM 1741 OE2 GLU A 111 -10.433 3.567 7.392 1.00 0.00 O ATOM 0 H GLU A 111 -5.384 5.128 5.810 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.114 2.435 6.298 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -7.466 4.715 6.276 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -7.705 4.340 4.581 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.448 3.068 5.182 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -8.312 1.938 5.890 1.00 0.00 H new ATOM 1748 N ARG A 112 -5.425 3.255 3.202 1.00 0.00 N ATOM 1749 CA ARG A 112 -5.196 2.714 1.865 1.00 0.00 C ATOM 1750 C ARG A 112 -4.310 1.474 1.921 1.00 0.00 C ATOM 1751 O ARG A 112 -4.632 0.442 1.331 1.00 0.00 O ATOM 1752 CB ARG A 112 -4.554 3.769 0.964 1.00 0.00 C ATOM 1753 CG ARG A 112 -4.306 3.285 -0.456 1.00 0.00 C ATOM 1754 CD ARG A 112 -2.872 2.817 -0.644 1.00 0.00 C ATOM 1755 NE ARG A 112 -2.091 3.753 -1.451 1.00 0.00 N ATOM 1756 CZ ARG A 112 -2.217 3.879 -2.769 1.00 0.00 C ATOM 1757 NH1 ARG A 112 -3.090 3.131 -3.434 1.00 0.00 N ATOM 1758 NH2 ARG A 112 -1.469 4.755 -3.425 1.00 0.00 N ATOM 0 H ARG A 112 -5.148 4.230 3.317 1.00 0.00 H new ATOM 0 HA ARG A 112 -6.163 2.431 1.449 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -5.197 4.648 0.932 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -3.607 4.083 1.403 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -4.989 2.468 -0.687 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -4.522 4.090 -1.159 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -2.399 2.697 0.331 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -2.870 1.837 -1.122 1.00 0.00 H new ATOM 0 HE ARG A 112 -1.409 4.344 -0.975 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -3.668 2.456 -2.934 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -3.182 3.232 -4.445 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -0.797 5.332 -2.919 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -1.565 4.852 -4.436 1.00 0.00 H new ATOM 1772 N ASP A 113 -3.191 1.580 2.629 1.00 0.00 N ATOM 1773 CA ASP A 113 -2.263 0.466 2.755 1.00 0.00 C ATOM 1774 C ASP A 113 -2.877 -0.661 3.574 1.00 0.00 C ATOM 1775 O ASP A 113 -2.749 -1.834 3.225 1.00 0.00 O ATOM 1776 CB ASP A 113 -0.953 0.928 3.396 1.00 0.00 C ATOM 1777 CG ASP A 113 -0.324 2.091 2.653 1.00 0.00 C ATOM 1778 OD1 ASP A 113 -0.505 2.176 1.421 1.00 0.00 O ATOM 1779 OD2 ASP A 113 0.347 2.918 3.304 1.00 0.00 O ATOM 0 H ASP A 113 -2.906 2.426 3.123 1.00 0.00 H new ATOM 0 HA ASP A 113 -2.051 0.090 1.754 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -1.140 1.219 4.429 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -0.251 0.095 3.422 1.00 0.00 H new ATOM 1784 N ALA A 114 -3.553 -0.302 4.663 1.00 0.00 N ATOM 1785 CA ALA A 114 -4.191 -1.294 5.517 1.00 0.00 C ATOM 1786 C ALA A 114 -5.135 -2.167 4.703 1.00 0.00 C ATOM 1787 O ALA A 114 -5.032 -3.390 4.722 1.00 0.00 O ATOM 1788 CB ALA A 114 -4.933 -0.619 6.660 1.00 0.00 C ATOM 0 H ALA A 114 -3.671 0.663 4.971 1.00 0.00 H new ATOM 0 HA ALA A 114 -3.417 -1.931 5.944 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.403 -1.377 7.287 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.230 -0.039 7.258 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -5.699 0.043 6.256 1.00 0.00 H new ATOM 1794 N TRP A 115 -6.044 -1.526 3.979 1.00 0.00 N ATOM 1795 CA TRP A 115 -6.995 -2.240 3.138 1.00 0.00 C ATOM 1796 C TRP A 115 -6.272 -3.108 2.119 1.00 0.00 C ATOM 1797 O TRP A 115 -6.520 -4.309 2.029 1.00 0.00 O ATOM 1798 CB TRP A 115 -7.901 -1.246 2.433 1.00 0.00 C ATOM 1799 CG TRP A 115 -9.068 -0.855 3.272 1.00 0.00 C ATOM 1800 CD1 TRP A 115 -9.187 0.260 4.045 1.00 0.00 C ATOM 1801 CD2 TRP A 115 -10.269 -1.596 3.447 1.00 0.00 C ATOM 1802 NE1 TRP A 115 -10.406 0.272 4.665 1.00 0.00 N ATOM 1803 CE2 TRP A 115 -11.089 -0.859 4.315 1.00 0.00 C ATOM 1804 CE3 TRP A 115 -10.736 -2.808 2.945 1.00 0.00 C ATOM 1805 CZ2 TRP A 115 -12.351 -1.298 4.689 1.00 0.00 C ATOM 1806 CZ3 TRP A 115 -11.989 -3.237 3.327 1.00 0.00 C ATOM 1807 CH2 TRP A 115 -12.778 -2.490 4.182 1.00 0.00 C ATOM 0 H TRP A 115 -6.142 -0.511 3.958 1.00 0.00 H new ATOM 0 HA TRP A 115 -7.598 -2.892 3.770 1.00 0.00 H new ATOM 0 HB2 TRP A 115 -7.328 -0.356 2.173 1.00 0.00 H new ATOM 0 HB3 TRP A 115 -8.257 -1.680 1.499 1.00 0.00 H new ATOM 0 HD1 TRP A 115 -8.430 1.023 4.153 1.00 0.00 H new ATOM 0 HE1 TRP A 115 -10.749 1.005 5.286 1.00 0.00 H new ATOM 0 HE3 TRP A 115 -10.131 -3.398 2.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 -12.971 -0.718 5.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 -12.363 -4.178 2.950 1.00 0.00 H new ATOM 0 HH2 TRP A 115 -13.756 -2.859 4.455 1.00 0.00 H new ATOM 1818 N VAL A 116 -5.363 -2.499 1.359 1.00 0.00 N ATOM 1819 CA VAL A 116 -4.605 -3.238 0.361 1.00 0.00 C ATOM 1820 C VAL A 116 -3.886 -4.415 1.014 1.00 0.00 C ATOM 1821 O VAL A 116 -3.734 -5.479 0.410 1.00 0.00 O ATOM 1822 CB VAL A 116 -3.583 -2.331 -0.356 1.00 0.00 C ATOM 1823 CG1 VAL A 116 -2.751 -3.128 -1.351 1.00 0.00 C ATOM 1824 CG2 VAL A 116 -4.292 -1.179 -1.052 1.00 0.00 C ATOM 0 H VAL A 116 -5.138 -1.506 1.417 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.308 -3.610 -0.384 1.00 0.00 H new ATOM 0 HB VAL A 116 -2.908 -1.920 0.394 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -2.039 -2.466 -1.843 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -2.211 -3.916 -0.825 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -3.407 -3.574 -2.098 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -3.557 -0.549 -1.553 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -4.993 -1.574 -1.788 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.835 -0.587 -0.315 1.00 0.00 H new ATOM 1834 N GLN A 117 -3.467 -4.222 2.263 1.00 0.00 N ATOM 1835 CA GLN A 117 -2.786 -5.273 3.006 1.00 0.00 C ATOM 1836 C GLN A 117 -3.799 -6.264 3.567 1.00 0.00 C ATOM 1837 O GLN A 117 -3.499 -7.447 3.730 1.00 0.00 O ATOM 1838 CB GLN A 117 -1.954 -4.673 4.141 1.00 0.00 C ATOM 1839 CG GLN A 117 -0.673 -4.006 3.669 1.00 0.00 C ATOM 1840 CD GLN A 117 0.092 -3.348 4.801 1.00 0.00 C ATOM 1841 OE1 GLN A 117 1.236 -3.706 5.080 1.00 0.00 O ATOM 1842 NE2 GLN A 117 -0.538 -2.382 5.459 1.00 0.00 N ATOM 0 H GLN A 117 -3.588 -3.350 2.778 1.00 0.00 H new ATOM 0 HA GLN A 117 -2.118 -5.800 2.325 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -2.559 -3.941 4.676 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -1.703 -5.460 4.852 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -0.036 -4.749 3.189 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -0.914 -3.257 2.915 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -1.487 -2.118 5.193 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -0.073 -1.904 6.231 1.00 0.00 H new ATOM 1851 N ALA A 118 -5.004 -5.776 3.852 1.00 0.00 N ATOM 1852 CA ALA A 118 -6.063 -6.619 4.385 1.00 0.00 C ATOM 1853 C ALA A 118 -6.535 -7.608 3.332 1.00 0.00 C ATOM 1854 O ALA A 118 -6.666 -8.803 3.597 1.00 0.00 O ATOM 1855 CB ALA A 118 -7.225 -5.766 4.873 1.00 0.00 C ATOM 0 H ALA A 118 -5.268 -4.800 3.721 1.00 0.00 H new ATOM 0 HA ALA A 118 -5.666 -7.180 5.231 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -8.009 -6.411 5.269 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -6.878 -5.093 5.657 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -7.621 -5.181 4.043 1.00 0.00 H new ATOM 1861 N ILE A 119 -6.776 -7.098 2.131 1.00 0.00 N ATOM 1862 CA ILE A 119 -7.221 -7.933 1.027 1.00 0.00 C ATOM 1863 C ILE A 119 -6.120 -8.916 0.635 1.00 0.00 C ATOM 1864 O ILE A 119 -6.373 -10.107 0.467 1.00 0.00 O ATOM 1865 CB ILE A 119 -7.632 -7.079 -0.196 1.00 0.00 C ATOM 1866 CG1 ILE A 119 -8.965 -6.377 0.075 1.00 0.00 C ATOM 1867 CG2 ILE A 119 -7.734 -7.937 -1.453 1.00 0.00 C ATOM 1868 CD1 ILE A 119 -8.826 -5.069 0.820 1.00 0.00 C ATOM 0 H ILE A 119 -6.670 -6.111 1.898 1.00 0.00 H new ATOM 0 HA ILE A 119 -8.098 -8.489 1.359 1.00 0.00 H new ATOM 0 HB ILE A 119 -6.861 -6.326 -0.361 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -9.467 -6.192 -0.875 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -9.606 -7.045 0.650 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -8.024 -7.312 -2.298 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -6.768 -8.398 -1.658 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -8.483 -8.715 -1.303 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -9.812 -4.632 0.975 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -8.353 -5.249 1.786 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -8.212 -4.382 0.238 1.00 0.00 H new ATOM 1880 N GLU A 120 -4.895 -8.412 0.508 1.00 0.00 N ATOM 1881 CA GLU A 120 -3.763 -9.260 0.156 1.00 0.00 C ATOM 1882 C GLU A 120 -3.476 -10.248 1.281 1.00 0.00 C ATOM 1883 O GLU A 120 -3.047 -11.376 1.036 1.00 0.00 O ATOM 1884 CB GLU A 120 -2.524 -8.409 -0.127 1.00 0.00 C ATOM 1885 CG GLU A 120 -2.466 -7.872 -1.548 1.00 0.00 C ATOM 1886 CD GLU A 120 -1.761 -8.817 -2.500 1.00 0.00 C ATOM 1887 OE1 GLU A 120 -2.400 -9.791 -2.952 1.00 0.00 O ATOM 1888 OE2 GLU A 120 -0.569 -8.585 -2.793 1.00 0.00 O ATOM 0 H GLU A 120 -4.663 -7.428 0.643 1.00 0.00 H new ATOM 0 HA GLU A 120 -4.015 -9.817 -0.747 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.502 -7.571 0.570 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -1.632 -9.006 0.064 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -3.480 -7.691 -1.906 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -1.952 -6.911 -1.549 1.00 0.00 H new ATOM 1895 N SER A 121 -3.722 -9.816 2.514 1.00 0.00 N ATOM 1896 CA SER A 121 -3.499 -10.664 3.679 1.00 0.00 C ATOM 1897 C SER A 121 -4.497 -11.812 3.703 1.00 0.00 C ATOM 1898 O SER A 121 -4.130 -12.965 3.925 1.00 0.00 O ATOM 1899 CB SER A 121 -3.611 -9.847 4.968 1.00 0.00 C ATOM 1900 OG SER A 121 -3.575 -10.687 6.109 1.00 0.00 O ATOM 0 H SER A 121 -4.076 -8.884 2.732 1.00 0.00 H new ATOM 0 HA SER A 121 -2.492 -11.076 3.611 1.00 0.00 H new ATOM 0 HB2 SER A 121 -2.795 -9.126 5.017 1.00 0.00 H new ATOM 0 HB3 SER A 121 -4.540 -9.277 4.961 1.00 0.00 H new ATOM 0 HG SER A 121 -3.647 -10.141 6.920 1.00 0.00 H new ATOM 1906 N GLN A 122 -5.762 -11.487 3.466 1.00 0.00 N ATOM 1907 CA GLN A 122 -6.815 -12.494 3.451 1.00 0.00 C ATOM 1908 C GLN A 122 -6.569 -13.499 2.334 1.00 0.00 C ATOM 1909 O GLN A 122 -6.872 -14.683 2.470 1.00 0.00 O ATOM 1910 CB GLN A 122 -8.183 -11.831 3.270 1.00 0.00 C ATOM 1911 CG GLN A 122 -8.933 -11.620 4.575 1.00 0.00 C ATOM 1912 CD GLN A 122 -8.209 -10.680 5.517 1.00 0.00 C ATOM 1913 OE1 GLN A 122 -8.280 -9.460 5.372 1.00 0.00 O ATOM 1914 NE2 GLN A 122 -7.506 -11.245 6.493 1.00 0.00 N ATOM 0 H GLN A 122 -6.083 -10.536 3.282 1.00 0.00 H new ATOM 0 HA GLN A 122 -6.804 -13.020 4.405 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -8.049 -10.868 2.778 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -8.791 -12.446 2.606 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -9.924 -11.221 4.360 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -9.077 -12.582 5.067 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -7.474 -12.261 6.576 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -6.998 -10.663 7.159 1.00 0.00 H new ATOM 1923 N ILE A 123 -6.007 -13.015 1.231 1.00 0.00 N ATOM 1924 CA ILE A 123 -5.708 -13.868 0.091 1.00 0.00 C ATOM 1925 C ILE A 123 -4.497 -14.747 0.380 1.00 0.00 C ATOM 1926 O ILE A 123 -4.435 -15.900 -0.051 1.00 0.00 O ATOM 1927 CB ILE A 123 -5.446 -13.031 -1.180 1.00 0.00 C ATOM 1928 CG1 ILE A 123 -6.667 -12.172 -1.511 1.00 0.00 C ATOM 1929 CG2 ILE A 123 -5.098 -13.932 -2.354 1.00 0.00 C ATOM 1930 CD1 ILE A 123 -6.330 -10.913 -2.278 1.00 0.00 C ATOM 0 H ILE A 123 -5.750 -12.036 1.104 1.00 0.00 H new ATOM 0 HA ILE A 123 -6.579 -14.501 -0.081 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.598 -12.374 -0.990 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -7.371 -12.765 -2.094 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -7.171 -11.899 -0.584 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -4.917 -13.322 -3.239 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.201 -14.506 -2.119 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -5.926 -14.615 -2.546 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -7.244 -10.353 -2.478 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -5.650 -10.299 -1.688 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -5.853 -11.178 -3.222 1.00 0.00 H new ATOM 1942 N LEU A 124 -3.540 -14.201 1.121 1.00 0.00 N ATOM 1943 CA LEU A 124 -2.335 -14.938 1.479 1.00 0.00 C ATOM 1944 C LEU A 124 -2.663 -16.066 2.452 1.00 0.00 C ATOM 1945 O LEU A 124 -2.080 -17.149 2.381 1.00 0.00 O ATOM 1946 CB LEU A 124 -1.300 -13.998 2.098 1.00 0.00 C ATOM 1947 CG LEU A 124 0.093 -14.603 2.285 1.00 0.00 C ATOM 1948 CD1 LEU A 124 0.653 -15.075 0.952 1.00 0.00 C ATOM 1949 CD2 LEU A 124 1.029 -13.593 2.930 1.00 0.00 C ATOM 0 H LEU A 124 -3.576 -13.249 1.486 1.00 0.00 H new ATOM 0 HA LEU A 124 -1.919 -15.372 0.570 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -1.213 -13.112 1.469 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -1.668 -13.665 3.068 1.00 0.00 H new ATOM 0 HG LEU A 124 0.009 -15.465 2.946 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.644 -15.502 1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -0.007 -15.832 0.528 1.00 0.00 H new ATOM 0 HD13 LEU A 124 0.724 -14.230 0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 124 2.015 -14.040 3.056 1.00 0.00 H new ATOM 0 HD22 LEU A 124 1.108 -12.712 2.293 1.00 0.00 H new ATOM 0 HD23 LEU A 124 0.635 -13.303 3.904 1.00 0.00 H new ATOM 1961 N ALA A 125 -3.601 -15.805 3.358 1.00 0.00 N ATOM 1962 CA ALA A 125 -4.008 -16.798 4.345 1.00 0.00 C ATOM 1963 C ALA A 125 -4.910 -17.856 3.717 1.00 0.00 C ATOM 1964 O ALA A 125 -4.905 -19.015 4.130 1.00 0.00 O ATOM 1965 CB ALA A 125 -4.714 -16.124 5.510 1.00 0.00 C ATOM 0 H ALA A 125 -4.093 -14.914 3.428 1.00 0.00 H new ATOM 0 HA ALA A 125 -3.112 -17.295 4.717 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -5.012 -16.877 6.239 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -4.038 -15.410 5.981 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -5.598 -15.601 5.146 1.00 0.00 H new ATOM 1971 N SER A 126 -5.683 -17.447 2.716 1.00 0.00 N ATOM 1972 CA SER A 126 -6.590 -18.359 2.028 1.00 0.00 C ATOM 1973 C SER A 126 -5.843 -19.189 0.990 1.00 0.00 C ATOM 1974 O SER A 126 -6.218 -20.326 0.703 1.00 0.00 O ATOM 1975 CB SER A 126 -7.721 -17.578 1.356 1.00 0.00 C ATOM 1976 OG SER A 126 -8.632 -17.072 2.316 1.00 0.00 O ATOM 0 H SER A 126 -5.699 -16.490 2.363 1.00 0.00 H new ATOM 0 HA SER A 126 -7.016 -19.035 2.769 1.00 0.00 H new ATOM 0 HB2 SER A 126 -7.304 -16.754 0.776 1.00 0.00 H new ATOM 0 HB3 SER A 126 -8.248 -18.226 0.656 1.00 0.00 H new ATOM 0 HG SER A 126 -8.328 -16.193 2.624 1.00 0.00 H new