USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 602 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 87 ASN : amide:sc= 0.913 K(o=2.1,f=-7.8!) USER MOD Set 1.2: A 89 LYS NZ :NH3+ -161:sc= 1.22 (180deg=-0.117) USER MOD Set 2.1: A 72 ASN : amide:sc= 1.18 K(o=0.81,f=-10!) USER MOD Set 2.2: A 73 LYS NZ :NH3+ -165:sc= -0.37 (180deg=-2.56!) USER MOD Single : A 6 LYS NZ :NH3+ 151:sc= -0.3 (180deg=-1.42!) USER MOD Single : A 14 LYS NZ :NH3+ 144:sc= -0.0461 (180deg=-3.79!) USER MOD Single : A 15 MET CE :methyl -155:sc= 0 (180deg=-0.477) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 1.25 USER MOD Single : A 20 HIS : no HD1:sc= -1.8! X(o=-1.8!,f=-1.7) USER MOD Single : A 39 LYS NZ :NH3+ 161:sc= 1 (180deg=0.29) USER MOD Single : A 47 THR OG1 : rot 169:sc= 1.26 USER MOD Single : A 48 HIS : no HD1:sc= 0.331 K(o=0.33,f=-5.6!) USER MOD Single : A 50 THR OG1 : rot 180:sc=-0.00121 USER MOD Single : A 56 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00925) USER MOD Single : A 61 TYR OH : rot -139:sc= 1.22 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -1.4 K(o=-1.4,f=-3.5!) USER MOD Single : A 65 LYS NZ :NH3+ -170:sc= 0.727 (180deg=0.25) USER MOD Single : A 67 LYS NZ :NH3+ -111:sc= 1.36 (180deg=-1.9!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 164:sc= 2.09 (180deg=1.8) USER MOD Single : A 75 LYS NZ :NH3+ -171:sc= 1.18 (180deg=1.08) USER MOD Single : A 78 ASN : amide:sc= 0.0132! C(o=0.013!,f=-11!) USER MOD Single : A 86 ASN : amide:sc= 1.22 K(o=1.2,f=-0.0092) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 5 3.283 10.055 6.410 1.00 0.00 N ATOM 67 CA PHE A 5 3.125 8.670 6.141 1.00 0.00 C ATOM 68 C PHE A 5 4.356 7.943 6.629 1.00 0.00 C ATOM 69 O PHE A 5 5.478 8.295 6.270 1.00 0.00 O ATOM 70 CB PHE A 5 2.884 8.440 4.654 1.00 0.00 C ATOM 71 CG PHE A 5 1.605 9.061 4.147 1.00 0.00 C ATOM 72 CD1 PHE A 5 1.577 10.358 3.652 1.00 0.00 C ATOM 73 CD2 PHE A 5 0.441 8.339 4.161 1.00 0.00 C ATOM 74 CE1 PHE A 5 0.398 10.904 3.177 1.00 0.00 C ATOM 75 CE2 PHE A 5 -0.738 8.876 3.696 1.00 0.00 C ATOM 76 CZ PHE A 5 -0.764 10.150 3.203 1.00 0.00 C ATOM 0 HA PHE A 5 2.253 8.280 6.667 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.724 8.847 4.091 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.860 7.368 4.460 1.00 0.00 H new ATOM 0 HD1 PHE A 5 2.483 10.945 3.638 1.00 0.00 H new ATOM 0 HD2 PHE A 5 0.448 7.329 4.544 1.00 0.00 H new ATOM 0 HE1 PHE A 5 0.383 11.912 2.788 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -1.644 8.289 3.721 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.689 10.569 2.834 1.00 0.00 H new ATOM 86 N LYS A 6 4.141 6.961 7.450 1.00 0.00 N ATOM 87 CA LYS A 6 5.204 6.254 8.128 1.00 0.00 C ATOM 88 C LYS A 6 5.396 4.894 7.493 1.00 0.00 C ATOM 89 O LYS A 6 4.463 4.366 6.896 1.00 0.00 O ATOM 90 CB LYS A 6 4.761 6.042 9.576 1.00 0.00 C ATOM 91 CG LYS A 6 4.292 7.310 10.241 1.00 0.00 C ATOM 92 CD LYS A 6 3.468 7.026 11.477 1.00 0.00 C ATOM 93 CE LYS A 6 2.779 8.291 11.957 1.00 0.00 C ATOM 94 NZ LYS A 6 2.031 8.938 10.849 1.00 0.00 N ATOM 0 H LYS A 6 3.208 6.616 7.677 1.00 0.00 H new ATOM 0 HA LYS A 6 6.133 6.821 8.068 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.956 5.307 9.600 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.591 5.625 10.146 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.155 7.919 10.512 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.700 7.892 9.535 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.724 6.260 11.258 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.108 6.632 12.266 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.096 8.051 12.772 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.519 8.985 12.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.218 9.458 11.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.658 9.599 10.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.693 8.211 10.187 1.00 0.00 H new ATOM 108 N PRO A 7 6.596 4.317 7.573 1.00 0.00 N ATOM 109 CA PRO A 7 6.801 2.932 7.171 1.00 0.00 C ATOM 110 C PRO A 7 5.951 2.049 8.079 1.00 0.00 C ATOM 111 O PRO A 7 6.134 2.042 9.301 1.00 0.00 O ATOM 112 CB PRO A 7 8.295 2.686 7.436 1.00 0.00 C ATOM 113 CG PRO A 7 8.905 4.042 7.511 1.00 0.00 C ATOM 114 CD PRO A 7 7.833 4.956 8.030 1.00 0.00 C ATOM 0 HA PRO A 7 6.529 2.722 6.136 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.445 2.135 8.364 1.00 0.00 H new ATOM 0 HB3 PRO A 7 8.745 2.095 6.638 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.771 4.043 8.173 1.00 0.00 H new ATOM 0 HG3 PRO A 7 9.253 4.367 6.530 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.866 5.038 9.116 1.00 0.00 H new ATOM 0 HD3 PRO A 7 7.936 5.965 7.630 1.00 0.00 H new ATOM 122 N GLY A 8 5.005 1.369 7.504 1.00 0.00 N ATOM 123 CA GLY A 8 4.093 0.589 8.275 1.00 0.00 C ATOM 124 C GLY A 8 2.706 1.197 8.307 1.00 0.00 C ATOM 125 O GLY A 8 1.759 0.541 8.742 1.00 0.00 O ATOM 0 H GLY A 8 4.847 1.341 6.497 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.037 -0.417 7.860 1.00 0.00 H new ATOM 0 HA3 GLY A 8 4.470 0.494 9.293 1.00 0.00 H new ATOM 129 N ASP A 9 2.576 2.439 7.819 1.00 0.00 N ATOM 130 CA ASP A 9 1.282 3.145 7.830 1.00 0.00 C ATOM 131 C ASP A 9 0.388 2.521 6.770 1.00 0.00 C ATOM 132 O ASP A 9 0.883 1.957 5.767 1.00 0.00 O ATOM 133 CB ASP A 9 1.458 4.642 7.519 1.00 0.00 C ATOM 134 CG ASP A 9 0.455 5.562 8.219 1.00 0.00 C ATOM 135 OD1 ASP A 9 -0.774 5.346 8.115 1.00 0.00 O ATOM 136 OD2 ASP A 9 0.903 6.574 8.857 1.00 0.00 O ATOM 0 H ASP A 9 3.344 2.974 7.414 1.00 0.00 H new ATOM 0 HA ASP A 9 0.840 3.054 8.822 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.466 4.942 7.804 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.374 4.788 6.442 1.00 0.00 H new ATOM 141 N LEU A 10 -0.888 2.637 6.948 1.00 0.00 N ATOM 142 CA LEU A 10 -1.841 1.975 6.096 1.00 0.00 C ATOM 143 C LEU A 10 -2.476 2.958 5.172 1.00 0.00 C ATOM 144 O LEU A 10 -3.081 3.936 5.618 1.00 0.00 O ATOM 145 CB LEU A 10 -2.885 1.304 6.953 1.00 0.00 C ATOM 146 CG LEU A 10 -2.348 0.274 7.933 1.00 0.00 C ATOM 147 CD1 LEU A 10 -3.480 -0.364 8.707 1.00 0.00 C ATOM 148 CD2 LEU A 10 -1.523 -0.770 7.198 1.00 0.00 C ATOM 0 H LEU A 10 -1.308 3.195 7.691 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.332 1.223 5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.421 2.070 7.513 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.611 0.819 6.301 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.698 0.775 8.650 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.076 -1.099 9.404 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.019 0.404 9.262 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.162 -0.858 8.014 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.144 -1.502 7.911 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.147 -1.273 6.459 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.686 -0.285 6.696 1.00 0.00 H new ATOM 160 N ILE A 11 -2.383 2.708 3.889 1.00 0.00 N ATOM 161 CA ILE A 11 -2.852 3.656 2.914 1.00 0.00 C ATOM 162 C ILE A 11 -3.557 2.994 1.731 1.00 0.00 C ATOM 163 O ILE A 11 -3.701 1.784 1.657 1.00 0.00 O ATOM 164 CB ILE A 11 -1.673 4.583 2.402 1.00 0.00 C ATOM 165 CG1 ILE A 11 -0.502 3.773 1.829 1.00 0.00 C ATOM 166 CG2 ILE A 11 -1.160 5.480 3.499 1.00 0.00 C ATOM 167 CD1 ILE A 11 -0.622 3.389 0.381 1.00 0.00 C ATOM 0 H ILE A 11 -1.986 1.854 3.497 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.592 4.273 3.424 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.096 5.193 1.604 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.413 4.351 1.958 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.390 2.863 2.419 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.352 6.102 3.113 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.969 6.117 3.856 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.787 4.871 4.322 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.258 2.821 0.081 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.514 2.778 0.239 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.698 4.289 -0.229 1.00 0.00 H new ATOM 179 N PHE A 12 -4.031 3.817 0.867 1.00 0.00 N ATOM 180 CA PHE A 12 -4.554 3.436 -0.397 1.00 0.00 C ATOM 181 C PHE A 12 -3.601 3.921 -1.432 1.00 0.00 C ATOM 182 O PHE A 12 -3.194 5.087 -1.415 1.00 0.00 O ATOM 183 CB PHE A 12 -5.940 4.012 -0.654 1.00 0.00 C ATOM 184 CG PHE A 12 -7.014 3.398 0.175 1.00 0.00 C ATOM 185 CD1 PHE A 12 -7.523 2.155 -0.158 1.00 0.00 C ATOM 186 CD2 PHE A 12 -7.515 4.048 1.279 1.00 0.00 C ATOM 187 CE1 PHE A 12 -8.511 1.576 0.595 1.00 0.00 C ATOM 188 CE2 PHE A 12 -8.507 3.471 2.038 1.00 0.00 C ATOM 189 CZ PHE A 12 -9.004 2.237 1.695 1.00 0.00 C ATOM 0 H PHE A 12 -4.067 4.823 1.029 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.664 2.352 -0.426 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.917 5.085 -0.464 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -6.188 3.880 -1.707 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.137 1.635 -1.022 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.127 5.018 1.552 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.900 0.605 0.326 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.895 3.988 2.903 1.00 0.00 H new ATOM 0 HZ PHE A 12 -9.783 1.785 2.291 1.00 0.00 H new ATOM 199 N ALA A 13 -3.235 3.050 -2.291 1.00 0.00 N ATOM 200 CA ALA A 13 -2.283 3.310 -3.295 1.00 0.00 C ATOM 201 C ALA A 13 -2.974 3.394 -4.614 1.00 0.00 C ATOM 202 O ALA A 13 -3.623 2.452 -5.050 1.00 0.00 O ATOM 203 CB ALA A 13 -1.284 2.195 -3.307 1.00 0.00 C ATOM 0 H ALA A 13 -3.605 2.100 -2.314 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.773 4.253 -3.101 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.539 2.382 -4.080 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.792 2.137 -2.336 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.792 1.253 -3.513 1.00 0.00 H new ATOM 209 N LYS A 14 -2.877 4.524 -5.215 1.00 0.00 N ATOM 210 CA LYS A 14 -3.486 4.766 -6.452 1.00 0.00 C ATOM 211 C LYS A 14 -2.420 4.809 -7.541 1.00 0.00 C ATOM 212 O LYS A 14 -1.510 5.653 -7.497 1.00 0.00 O ATOM 213 CB LYS A 14 -4.242 6.098 -6.327 1.00 0.00 C ATOM 214 CG LYS A 14 -5.056 6.516 -7.528 1.00 0.00 C ATOM 215 CD LYS A 14 -4.203 6.945 -8.707 1.00 0.00 C ATOM 216 CE LYS A 14 -3.593 8.349 -8.579 1.00 0.00 C ATOM 217 NZ LYS A 14 -2.533 8.419 -7.530 1.00 0.00 N ATOM 0 H LYS A 14 -2.357 5.319 -4.843 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.187 3.978 -6.726 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.908 6.035 -5.466 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.518 6.884 -6.113 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.695 5.687 -7.832 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.714 7.338 -7.245 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.396 6.223 -8.836 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.811 6.909 -9.611 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.170 8.647 -9.539 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.381 9.064 -8.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.781 9.068 -7.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.946 8.767 -6.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.132 7.472 -7.378 1.00 0.00 H new ATOM 231 N MET A 15 -2.567 3.957 -8.534 1.00 0.00 N ATOM 232 CA MET A 15 -1.667 3.925 -9.678 1.00 0.00 C ATOM 233 C MET A 15 -2.473 4.013 -10.932 1.00 0.00 C ATOM 234 O MET A 15 -3.658 3.738 -10.913 1.00 0.00 O ATOM 235 CB MET A 15 -0.790 2.671 -9.738 1.00 0.00 C ATOM 236 CG MET A 15 0.046 2.459 -8.521 1.00 0.00 C ATOM 237 SD MET A 15 1.551 1.524 -8.845 1.00 0.00 S ATOM 238 CE MET A 15 0.892 0.004 -9.511 1.00 0.00 C ATOM 0 H MET A 15 -3.314 3.264 -8.575 1.00 0.00 H new ATOM 0 HA MET A 15 -0.993 4.775 -9.571 1.00 0.00 H new ATOM 0 HB2 MET A 15 -1.428 1.800 -9.884 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.137 2.738 -10.608 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.312 3.428 -8.098 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.545 1.935 -7.770 1.00 0.00 H new ATOM 0 HE1 MET A 15 1.604 -0.804 -9.346 1.00 0.00 H new ATOM 0 HE2 MET A 15 -0.048 -0.234 -9.013 1.00 0.00 H new ATOM 0 HE3 MET A 15 0.717 0.121 -10.580 1.00 0.00 H new ATOM 248 N LYS A 16 -1.850 4.432 -12.002 1.00 0.00 N ATOM 249 CA LYS A 16 -2.531 4.524 -13.286 1.00 0.00 C ATOM 250 C LYS A 16 -2.949 3.119 -13.745 1.00 0.00 C ATOM 251 O LYS A 16 -2.108 2.254 -13.949 1.00 0.00 O ATOM 252 CB LYS A 16 -1.612 5.177 -14.332 1.00 0.00 C ATOM 253 CG LYS A 16 -2.241 5.339 -15.713 1.00 0.00 C ATOM 254 CD LYS A 16 -1.261 5.954 -16.700 1.00 0.00 C ATOM 255 CE LYS A 16 -1.883 6.102 -18.082 1.00 0.00 C ATOM 256 NZ LYS A 16 -0.929 6.685 -19.065 1.00 0.00 N ATOM 0 H LYS A 16 -0.871 4.717 -12.019 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.420 5.145 -13.177 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.308 6.158 -13.968 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.707 4.577 -14.427 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.569 4.367 -16.081 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.128 5.968 -15.639 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.941 6.931 -16.337 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.369 5.331 -16.766 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.216 5.126 -18.436 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.767 6.736 -18.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.393 6.768 -19.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.630 7.627 -18.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.096 6.067 -19.149 1.00 0.00 H new ATOM 270 N GLY A 17 -4.244 2.908 -13.872 1.00 0.00 N ATOM 271 CA GLY A 17 -4.761 1.612 -14.278 1.00 0.00 C ATOM 272 C GLY A 17 -5.273 0.837 -13.082 1.00 0.00 C ATOM 273 O GLY A 17 -6.026 -0.150 -13.215 1.00 0.00 O ATOM 0 H GLY A 17 -4.959 3.615 -13.701 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.566 1.747 -15.001 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.977 1.043 -14.777 1.00 0.00 H new ATOM 277 N TYR A 18 -4.877 1.284 -11.923 1.00 0.00 N ATOM 278 CA TYR A 18 -5.276 0.699 -10.681 1.00 0.00 C ATOM 279 C TYR A 18 -6.299 1.591 -10.003 1.00 0.00 C ATOM 280 O TYR A 18 -6.309 2.802 -10.214 1.00 0.00 O ATOM 281 CB TYR A 18 -4.069 0.549 -9.729 1.00 0.00 C ATOM 282 CG TYR A 18 -3.077 -0.547 -10.062 1.00 0.00 C ATOM 283 CD1 TYR A 18 -2.377 -0.559 -11.258 1.00 0.00 C ATOM 284 CD2 TYR A 18 -2.838 -1.570 -9.155 1.00 0.00 C ATOM 285 CE1 TYR A 18 -1.469 -1.558 -11.542 1.00 0.00 C ATOM 286 CE2 TYR A 18 -1.924 -2.571 -9.423 1.00 0.00 C ATOM 287 CZ TYR A 18 -1.240 -2.560 -10.621 1.00 0.00 C ATOM 288 OH TYR A 18 -0.314 -3.533 -10.904 1.00 0.00 O ATOM 0 H TYR A 18 -4.253 2.084 -11.817 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.698 -0.283 -10.893 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.533 1.498 -9.705 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.448 0.372 -8.723 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.545 0.227 -11.980 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.378 -1.584 -8.220 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -0.939 -1.556 -12.483 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -1.747 -3.355 -8.701 1.00 0.00 H new ATOM 0 HH TYR A 18 -0.266 -4.166 -10.157 1.00 0.00 H new ATOM 298 N PRO A 19 -7.189 1.016 -9.211 1.00 0.00 N ATOM 299 CA PRO A 19 -8.062 1.780 -8.359 1.00 0.00 C ATOM 300 C PRO A 19 -7.288 2.109 -7.092 1.00 0.00 C ATOM 301 O PRO A 19 -6.150 1.639 -6.940 1.00 0.00 O ATOM 302 CB PRO A 19 -9.221 0.814 -8.036 1.00 0.00 C ATOM 303 CG PRO A 19 -8.848 -0.509 -8.640 1.00 0.00 C ATOM 304 CD PRO A 19 -7.406 -0.421 -9.054 1.00 0.00 C ATOM 0 HA PRO A 19 -8.422 2.708 -8.804 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -9.363 0.723 -6.959 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.160 1.180 -8.452 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.993 -1.314 -7.920 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.481 -0.732 -9.499 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.744 -0.848 -8.300 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.221 -0.960 -9.983 1.00 0.00 H new ATOM 312 N HIS A 20 -7.827 2.949 -6.225 1.00 0.00 N ATOM 313 CA HIS A 20 -7.166 3.176 -4.949 1.00 0.00 C ATOM 314 C HIS A 20 -7.138 1.822 -4.212 1.00 0.00 C ATOM 315 O HIS A 20 -8.174 1.321 -3.802 1.00 0.00 O ATOM 316 CB HIS A 20 -7.930 4.229 -4.115 1.00 0.00 C ATOM 317 CG HIS A 20 -7.778 5.643 -4.603 1.00 0.00 C ATOM 318 ND1 HIS A 20 -8.542 6.220 -5.603 1.00 0.00 N ATOM 319 CD2 HIS A 20 -6.908 6.598 -4.210 1.00 0.00 C ATOM 320 CE1 HIS A 20 -8.107 7.475 -5.782 1.00 0.00 C ATOM 321 NE2 HIS A 20 -7.120 7.752 -4.963 1.00 0.00 N ATOM 0 H HIS A 20 -8.691 3.470 -6.371 1.00 0.00 H new ATOM 0 HA HIS A 20 -6.157 3.559 -5.102 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.989 3.972 -4.111 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -7.585 4.176 -3.082 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -6.165 6.486 -3.434 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -8.515 8.167 -6.504 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -6.611 8.633 -4.892 1.00 0.00 H new ATOM 329 N TRP A 21 -5.970 1.253 -4.088 1.00 0.00 N ATOM 330 CA TRP A 21 -5.796 -0.105 -3.603 1.00 0.00 C ATOM 331 C TRP A 21 -5.272 -0.072 -2.181 1.00 0.00 C ATOM 332 O TRP A 21 -4.395 0.720 -1.889 1.00 0.00 O ATOM 333 CB TRP A 21 -4.756 -0.777 -4.514 1.00 0.00 C ATOM 334 CG TRP A 21 -4.690 -2.276 -4.466 1.00 0.00 C ATOM 335 CD1 TRP A 21 -4.290 -3.071 -3.430 1.00 0.00 C ATOM 336 CD2 TRP A 21 -4.983 -3.153 -5.548 1.00 0.00 C ATOM 337 NE1 TRP A 21 -4.364 -4.387 -3.802 1.00 0.00 N ATOM 338 CE2 TRP A 21 -4.776 -4.459 -5.100 1.00 0.00 C ATOM 339 CE3 TRP A 21 -5.415 -2.951 -6.856 1.00 0.00 C ATOM 340 CZ2 TRP A 21 -4.983 -5.558 -5.911 1.00 0.00 C ATOM 341 CZ3 TRP A 21 -5.619 -4.047 -7.667 1.00 0.00 C ATOM 342 CH2 TRP A 21 -5.404 -5.338 -7.189 1.00 0.00 C ATOM 0 H TRP A 21 -5.094 1.720 -4.322 1.00 0.00 H new ATOM 0 HA TRP A 21 -6.741 -0.649 -3.615 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -4.959 -0.478 -5.542 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -3.773 -0.384 -4.256 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -3.965 -2.716 -2.463 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -4.146 -5.185 -3.205 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -5.587 -1.952 -7.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.817 -6.560 -5.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -5.949 -3.903 -8.685 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -5.574 -6.180 -7.843 1.00 0.00 H new ATOM 353 N PRO A 22 -5.792 -0.905 -1.275 1.00 0.00 N ATOM 354 CA PRO A 22 -5.287 -0.950 0.089 1.00 0.00 C ATOM 355 C PRO A 22 -3.835 -1.451 0.107 1.00 0.00 C ATOM 356 O PRO A 22 -3.541 -2.585 -0.305 1.00 0.00 O ATOM 357 CB PRO A 22 -6.221 -1.943 0.798 1.00 0.00 C ATOM 358 CG PRO A 22 -6.889 -2.724 -0.283 1.00 0.00 C ATOM 359 CD PRO A 22 -6.888 -1.864 -1.512 1.00 0.00 C ATOM 0 HA PRO A 22 -5.277 0.028 0.571 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.660 -2.599 1.463 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.954 -1.419 1.411 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.360 -3.659 -0.466 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -7.908 -2.985 0.004 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -6.715 -2.454 -2.412 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.843 -1.355 -1.644 1.00 0.00 H new ATOM 367 N ALA A 23 -2.944 -0.617 0.565 1.00 0.00 N ATOM 368 CA ALA A 23 -1.562 -0.912 0.556 1.00 0.00 C ATOM 369 C ALA A 23 -0.904 -0.367 1.806 1.00 0.00 C ATOM 370 O ALA A 23 -1.494 0.411 2.549 1.00 0.00 O ATOM 371 CB ALA A 23 -0.940 -0.317 -0.684 1.00 0.00 C ATOM 0 H ALA A 23 -3.173 0.296 0.958 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.415 -1.992 0.544 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.127 -0.540 -0.699 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.412 -0.744 -1.569 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.085 0.763 -0.681 1.00 0.00 H new ATOM 377 N ARG A 24 0.282 -0.789 2.054 1.00 0.00 N ATOM 378 CA ARG A 24 1.005 -0.355 3.210 1.00 0.00 C ATOM 379 C ARG A 24 2.227 0.394 2.749 1.00 0.00 C ATOM 380 O ARG A 24 2.782 0.076 1.696 1.00 0.00 O ATOM 381 CB ARG A 24 1.456 -1.572 4.015 1.00 0.00 C ATOM 382 CG ARG A 24 1.970 -1.255 5.404 1.00 0.00 C ATOM 383 CD ARG A 24 2.586 -2.473 6.063 1.00 0.00 C ATOM 384 NE ARG A 24 3.825 -2.871 5.389 1.00 0.00 N ATOM 385 CZ ARG A 24 5.042 -2.738 5.928 1.00 0.00 C ATOM 386 NH1 ARG A 24 5.184 -2.379 7.194 1.00 0.00 N ATOM 387 NH2 ARG A 24 6.118 -2.991 5.222 1.00 0.00 N ATOM 0 H ARG A 24 0.788 -1.449 1.463 1.00 0.00 H new ATOM 0 HA ARG A 24 0.371 0.280 3.829 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.619 -2.265 4.101 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.240 -2.087 3.461 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.712 -0.458 5.345 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.151 -0.883 6.019 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.792 -2.257 7.111 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.876 -3.300 6.042 1.00 0.00 H new ATOM 0 HE ARG A 24 3.755 -3.273 4.454 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.361 -2.201 7.769 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.117 -2.281 7.595 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.032 -3.293 4.251 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.041 -2.886 5.644 1.00 0.00 H new ATOM 401 N VAL A 25 2.623 1.394 3.484 1.00 0.00 N ATOM 402 CA VAL A 25 3.878 2.042 3.209 1.00 0.00 C ATOM 403 C VAL A 25 4.942 1.101 3.749 1.00 0.00 C ATOM 404 O VAL A 25 4.871 0.707 4.906 1.00 0.00 O ATOM 405 CB VAL A 25 3.981 3.433 3.895 1.00 0.00 C ATOM 406 CG1 VAL A 25 5.313 4.106 3.578 1.00 0.00 C ATOM 407 CG2 VAL A 25 2.827 4.328 3.465 1.00 0.00 C ATOM 0 H VAL A 25 2.102 1.777 4.272 1.00 0.00 H new ATOM 0 HA VAL A 25 3.992 2.231 2.142 1.00 0.00 H new ATOM 0 HB VAL A 25 3.925 3.278 4.972 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.357 5.077 4.071 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.131 3.480 3.936 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.405 4.242 2.500 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.916 5.297 3.955 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.856 4.464 2.384 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.882 3.864 3.747 1.00 0.00 H new ATOM 417 N ASP A 26 5.860 0.700 2.921 1.00 0.00 N ATOM 418 CA ASP A 26 6.837 -0.309 3.306 1.00 0.00 C ATOM 419 C ASP A 26 8.083 0.368 3.901 1.00 0.00 C ATOM 420 O ASP A 26 8.113 1.602 4.043 1.00 0.00 O ATOM 421 CB ASP A 26 7.186 -1.220 2.099 1.00 0.00 C ATOM 422 CG ASP A 26 7.742 -2.578 2.521 1.00 0.00 C ATOM 423 OD1 ASP A 26 6.935 -3.522 2.783 1.00 0.00 O ATOM 424 OD2 ASP A 26 8.965 -2.733 2.663 1.00 0.00 O ATOM 0 H ASP A 26 5.964 1.050 1.968 1.00 0.00 H new ATOM 0 HA ASP A 26 6.409 -0.951 4.076 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.292 -1.371 1.494 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.917 -0.714 1.468 1.00 0.00 H new ATOM 429 N GLU A 27 9.082 -0.403 4.244 1.00 0.00 N ATOM 430 CA GLU A 27 10.261 0.097 4.864 1.00 0.00 C ATOM 431 C GLU A 27 11.322 0.463 3.833 1.00 0.00 C ATOM 432 O GLU A 27 11.327 -0.026 2.705 1.00 0.00 O ATOM 433 CB GLU A 27 10.856 -0.960 5.806 1.00 0.00 C ATOM 434 CG GLU A 27 10.023 -1.331 7.027 1.00 0.00 C ATOM 435 CD GLU A 27 8.744 -2.092 6.756 1.00 0.00 C ATOM 436 OE1 GLU A 27 8.763 -3.144 6.070 1.00 0.00 O ATOM 437 OE2 GLU A 27 7.695 -1.659 7.214 1.00 0.00 O ATOM 0 H GLU A 27 9.090 -1.412 4.094 1.00 0.00 H new ATOM 0 HA GLU A 27 9.976 0.990 5.421 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.038 -1.867 5.229 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.826 -0.602 6.151 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.642 -1.929 7.696 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.770 -0.415 7.561 1.00 0.00 H new ATOM 597 N LYS A 39 9.471 9.099 -4.060 1.00 0.00 N ATOM 598 CA LYS A 39 8.169 8.657 -3.669 1.00 0.00 C ATOM 599 C LYS A 39 8.345 7.604 -2.580 1.00 0.00 C ATOM 600 O LYS A 39 9.460 7.098 -2.387 1.00 0.00 O ATOM 601 CB LYS A 39 7.407 8.078 -4.880 1.00 0.00 C ATOM 602 CG LYS A 39 7.474 8.942 -6.150 1.00 0.00 C ATOM 603 CD LYS A 39 6.508 8.460 -7.230 1.00 0.00 C ATOM 604 CE LYS A 39 5.098 8.949 -6.942 1.00 0.00 C ATOM 605 NZ LYS A 39 4.074 8.378 -7.851 1.00 0.00 N ATOM 0 HA LYS A 39 7.581 9.492 -3.289 1.00 0.00 H new ATOM 0 HB2 LYS A 39 7.808 7.090 -5.107 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.361 7.942 -4.604 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.244 9.977 -5.895 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.491 8.929 -6.543 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.833 8.823 -8.205 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.519 7.371 -7.276 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.839 8.699 -5.913 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.076 10.036 -7.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.132 8.482 -7.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.098 8.881 -8.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.273 7.369 -8.008 1.00 0.00 H new ATOM 619 N LEU A 40 7.281 7.270 -1.904 1.00 0.00 N ATOM 620 CA LEU A 40 7.320 6.344 -0.785 1.00 0.00 C ATOM 621 C LEU A 40 7.153 4.906 -1.278 1.00 0.00 C ATOM 622 O LEU A 40 6.462 4.671 -2.285 1.00 0.00 O ATOM 623 CB LEU A 40 6.195 6.688 0.207 1.00 0.00 C ATOM 624 CG LEU A 40 6.258 8.076 0.863 1.00 0.00 C ATOM 625 CD1 LEU A 40 5.005 8.331 1.671 1.00 0.00 C ATOM 626 CD2 LEU A 40 7.480 8.198 1.765 1.00 0.00 C ATOM 0 H LEU A 40 6.349 7.631 -2.109 1.00 0.00 H new ATOM 0 HA LEU A 40 8.285 6.432 -0.286 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.242 6.601 -0.315 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.196 5.937 0.997 1.00 0.00 H new ATOM 0 HG LEU A 40 6.335 8.819 0.069 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.063 9.318 2.130 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.135 8.286 1.017 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.913 7.573 2.449 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.501 9.190 2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.430 7.443 2.549 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.384 8.049 1.175 1.00 0.00 H new ATOM 638 N PRO A 41 7.797 3.932 -0.604 1.00 0.00 N ATOM 639 CA PRO A 41 7.665 2.516 -0.953 1.00 0.00 C ATOM 640 C PRO A 41 6.275 2.001 -0.567 1.00 0.00 C ATOM 641 O PRO A 41 5.847 2.119 0.581 1.00 0.00 O ATOM 642 CB PRO A 41 8.753 1.838 -0.104 1.00 0.00 C ATOM 643 CG PRO A 41 8.915 2.733 1.074 1.00 0.00 C ATOM 644 CD PRO A 41 8.700 4.129 0.559 1.00 0.00 C ATOM 0 HA PRO A 41 7.777 2.322 -2.020 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.454 0.834 0.198 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.686 1.739 -0.659 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.194 2.488 1.854 1.00 0.00 H new ATOM 0 HG3 PRO A 41 9.907 2.626 1.513 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.247 4.771 1.315 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.639 4.597 0.264 1.00 0.00 H new ATOM 652 N ILE A 42 5.569 1.465 -1.513 1.00 0.00 N ATOM 653 CA ILE A 42 4.222 1.017 -1.289 1.00 0.00 C ATOM 654 C ILE A 42 4.105 -0.479 -1.546 1.00 0.00 C ATOM 655 O ILE A 42 4.448 -0.958 -2.612 1.00 0.00 O ATOM 656 CB ILE A 42 3.223 1.768 -2.211 1.00 0.00 C ATOM 657 CG1 ILE A 42 3.319 3.298 -2.033 1.00 0.00 C ATOM 658 CG2 ILE A 42 1.801 1.288 -1.984 1.00 0.00 C ATOM 659 CD1 ILE A 42 3.058 3.796 -0.624 1.00 0.00 C ATOM 0 H ILE A 42 5.907 1.324 -2.465 1.00 0.00 H new ATOM 0 HA ILE A 42 3.976 1.229 -0.249 1.00 0.00 H new ATOM 0 HB ILE A 42 3.500 1.538 -3.240 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.314 3.623 -2.339 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.607 3.773 -2.708 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.124 1.831 -2.643 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.738 0.221 -2.199 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.518 1.466 -0.947 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.148 4.882 -0.599 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.053 3.508 -0.317 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.786 3.356 0.058 1.00 0.00 H new ATOM 671 N PHE A 43 3.621 -1.178 -0.579 1.00 0.00 N ATOM 672 CA PHE A 43 3.395 -2.601 -0.662 1.00 0.00 C ATOM 673 C PHE A 43 1.910 -2.860 -0.822 1.00 0.00 C ATOM 674 O PHE A 43 1.130 -2.540 0.075 1.00 0.00 O ATOM 675 CB PHE A 43 3.926 -3.309 0.604 1.00 0.00 C ATOM 676 CG PHE A 43 3.494 -4.755 0.723 1.00 0.00 C ATOM 677 CD1 PHE A 43 4.050 -5.729 -0.077 1.00 0.00 C ATOM 678 CD2 PHE A 43 2.498 -5.122 1.625 1.00 0.00 C ATOM 679 CE1 PHE A 43 3.632 -7.038 0.021 1.00 0.00 C ATOM 680 CE2 PHE A 43 2.080 -6.432 1.720 1.00 0.00 C ATOM 681 CZ PHE A 43 2.647 -7.385 0.921 1.00 0.00 C ATOM 0 H PHE A 43 3.360 -0.776 0.321 1.00 0.00 H new ATOM 0 HA PHE A 43 3.930 -3.000 -1.524 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.015 -3.264 0.604 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.584 -2.764 1.484 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.820 -5.464 -0.787 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.048 -4.371 2.257 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.077 -7.794 -0.609 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.307 -6.704 2.423 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.323 -8.412 0.995 1.00 0.00 H new ATOM 691 N PHE A 44 1.523 -3.393 -1.952 1.00 0.00 N ATOM 692 CA PHE A 44 0.108 -3.725 -2.193 1.00 0.00 C ATOM 693 C PHE A 44 -0.293 -5.010 -1.494 1.00 0.00 C ATOM 694 O PHE A 44 0.438 -6.005 -1.523 1.00 0.00 O ATOM 695 CB PHE A 44 -0.206 -3.876 -3.675 1.00 0.00 C ATOM 696 CG PHE A 44 -0.098 -2.626 -4.474 1.00 0.00 C ATOM 697 CD1 PHE A 44 -1.170 -1.762 -4.574 1.00 0.00 C ATOM 698 CD2 PHE A 44 1.059 -2.323 -5.139 1.00 0.00 C ATOM 699 CE1 PHE A 44 -1.081 -0.619 -5.327 1.00 0.00 C ATOM 700 CE2 PHE A 44 1.153 -1.189 -5.887 1.00 0.00 C ATOM 701 CZ PHE A 44 0.085 -0.332 -5.984 1.00 0.00 C ATOM 0 H PHE A 44 2.149 -3.612 -2.727 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.461 -2.888 -1.788 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.469 -4.619 -4.099 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.218 -4.268 -3.778 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.089 -1.989 -4.054 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.906 -2.990 -5.070 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.925 0.050 -5.401 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.072 -0.963 -6.407 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.165 0.567 -6.577 1.00 0.00 H new ATOM 711 N PHE A 45 -1.449 -5.001 -0.894 1.00 0.00 N ATOM 712 CA PHE A 45 -1.967 -6.176 -0.248 1.00 0.00 C ATOM 713 C PHE A 45 -2.776 -7.011 -1.230 1.00 0.00 C ATOM 714 O PHE A 45 -3.268 -6.496 -2.234 1.00 0.00 O ATOM 715 CB PHE A 45 -2.832 -5.812 0.949 1.00 0.00 C ATOM 716 CG PHE A 45 -2.080 -5.275 2.112 1.00 0.00 C ATOM 717 CD1 PHE A 45 -1.347 -6.122 2.907 1.00 0.00 C ATOM 718 CD2 PHE A 45 -2.112 -3.939 2.419 1.00 0.00 C ATOM 719 CE1 PHE A 45 -0.658 -5.649 3.988 1.00 0.00 C ATOM 720 CE2 PHE A 45 -1.426 -3.456 3.507 1.00 0.00 C ATOM 721 CZ PHE A 45 -0.694 -4.315 4.295 1.00 0.00 C ATOM 0 H PHE A 45 -2.057 -4.184 -0.838 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.117 -6.760 0.105 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.570 -5.073 0.637 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.383 -6.698 1.266 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.315 -7.176 2.674 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.681 -3.261 1.800 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.084 -6.328 4.601 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.461 -2.403 3.744 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.152 -3.939 5.150 1.00 0.00 H new ATOM 731 N GLY A 46 -2.891 -8.289 -0.936 1.00 0.00 N ATOM 732 CA GLY A 46 -3.649 -9.263 -1.733 1.00 0.00 C ATOM 733 C GLY A 46 -2.980 -9.667 -3.033 1.00 0.00 C ATOM 734 O GLY A 46 -3.278 -10.730 -3.584 1.00 0.00 O ATOM 0 H GLY A 46 -2.451 -8.703 -0.114 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.814 -10.156 -1.131 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.630 -8.845 -1.958 1.00 0.00 H new ATOM 738 N THR A 47 -2.079 -8.860 -3.512 1.00 0.00 N ATOM 739 CA THR A 47 -1.293 -9.213 -4.659 1.00 0.00 C ATOM 740 C THR A 47 0.174 -9.242 -4.279 1.00 0.00 C ATOM 741 O THR A 47 0.973 -9.934 -4.897 1.00 0.00 O ATOM 742 CB THR A 47 -1.515 -8.194 -5.779 1.00 0.00 C ATOM 743 OG1 THR A 47 -1.367 -6.869 -5.241 1.00 0.00 O ATOM 744 CG2 THR A 47 -2.896 -8.350 -6.386 1.00 0.00 C ATOM 0 H THR A 47 -1.868 -7.942 -3.121 1.00 0.00 H new ATOM 0 HA THR A 47 -1.597 -10.199 -5.011 1.00 0.00 H new ATOM 0 HB THR A 47 -0.778 -8.364 -6.564 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.333 -6.220 -5.975 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.030 -7.615 -7.180 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.001 -9.353 -6.799 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.652 -8.194 -5.616 1.00 0.00 H new ATOM 752 N HIS A 48 0.503 -8.513 -3.194 1.00 0.00 N ATOM 753 CA HIS A 48 1.861 -8.428 -2.656 1.00 0.00 C ATOM 754 C HIS A 48 2.816 -7.730 -3.617 1.00 0.00 C ATOM 755 O HIS A 48 4.032 -7.901 -3.535 1.00 0.00 O ATOM 756 CB HIS A 48 2.391 -9.801 -2.167 1.00 0.00 C ATOM 757 CG HIS A 48 1.784 -10.259 -0.857 1.00 0.00 C ATOM 758 ND1 HIS A 48 2.529 -10.813 0.173 1.00 0.00 N ATOM 759 CD2 HIS A 48 0.499 -10.243 -0.408 1.00 0.00 C ATOM 760 CE1 HIS A 48 1.719 -11.112 1.190 1.00 0.00 C ATOM 761 NE2 HIS A 48 0.498 -10.778 0.857 1.00 0.00 N ATOM 0 H HIS A 48 -0.177 -7.965 -2.667 1.00 0.00 H new ATOM 0 HA HIS A 48 1.809 -7.797 -1.769 1.00 0.00 H new ATOM 0 HB2 HIS A 48 2.190 -10.551 -2.932 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.474 -9.743 -2.054 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -0.362 -9.877 -0.948 1.00 0.00 H new ATOM 0 HE1 HIS A 48 2.020 -11.554 2.128 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -0.326 -10.897 1.446 1.00 0.00 H new ATOM 770 N GLU A 49 2.245 -6.890 -4.481 1.00 0.00 N ATOM 771 CA GLU A 49 2.994 -6.084 -5.427 1.00 0.00 C ATOM 772 C GLU A 49 3.685 -4.956 -4.675 1.00 0.00 C ATOM 773 O GLU A 49 3.382 -4.688 -3.511 1.00 0.00 O ATOM 774 CB GLU A 49 2.041 -5.470 -6.451 1.00 0.00 C ATOM 775 CG GLU A 49 1.292 -6.466 -7.306 1.00 0.00 C ATOM 776 CD GLU A 49 0.164 -5.812 -8.078 1.00 0.00 C ATOM 777 OE1 GLU A 49 -0.875 -5.523 -7.454 1.00 0.00 O ATOM 778 OE2 GLU A 49 0.312 -5.573 -9.287 1.00 0.00 O ATOM 0 H GLU A 49 1.236 -6.753 -4.539 1.00 0.00 H new ATOM 0 HA GLU A 49 3.726 -6.712 -5.935 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.316 -4.849 -5.924 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.611 -4.809 -7.104 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.984 -6.938 -8.004 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.888 -7.257 -6.673 1.00 0.00 H new ATOM 785 N THR A 50 4.588 -4.294 -5.310 1.00 0.00 N ATOM 786 CA THR A 50 5.268 -3.201 -4.681 1.00 0.00 C ATOM 787 C THR A 50 5.398 -2.059 -5.675 1.00 0.00 C ATOM 788 O THR A 50 5.624 -2.284 -6.862 1.00 0.00 O ATOM 789 CB THR A 50 6.657 -3.618 -4.192 1.00 0.00 C ATOM 790 OG1 THR A 50 6.577 -4.928 -3.609 1.00 0.00 O ATOM 791 CG2 THR A 50 7.151 -2.651 -3.127 1.00 0.00 C ATOM 0 H THR A 50 4.878 -4.486 -6.269 1.00 0.00 H new ATOM 0 HA THR A 50 4.688 -2.883 -3.815 1.00 0.00 H new ATOM 0 HB THR A 50 7.344 -3.614 -5.038 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.464 -5.201 -3.295 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.140 -2.958 -2.787 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.207 -1.646 -3.546 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.460 -2.655 -2.284 1.00 0.00 H new ATOM 799 N ALA A 51 5.227 -0.872 -5.191 1.00 0.00 N ATOM 800 CA ALA A 51 5.278 0.329 -6.005 1.00 0.00 C ATOM 801 C ALA A 51 5.875 1.484 -5.235 1.00 0.00 C ATOM 802 O ALA A 51 6.273 1.333 -4.085 1.00 0.00 O ATOM 803 CB ALA A 51 3.891 0.701 -6.440 1.00 0.00 C ATOM 0 H ALA A 51 5.044 -0.692 -4.204 1.00 0.00 H new ATOM 0 HA ALA A 51 5.905 0.123 -6.872 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.931 1.603 -7.051 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.462 -0.114 -7.023 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.271 0.885 -5.562 1.00 0.00 H new ATOM 809 N PHE A 52 5.947 2.624 -5.897 1.00 0.00 N ATOM 810 CA PHE A 52 6.430 3.860 -5.324 1.00 0.00 C ATOM 811 C PHE A 52 5.466 4.975 -5.650 1.00 0.00 C ATOM 812 O PHE A 52 5.324 5.393 -6.815 1.00 0.00 O ATOM 813 CB PHE A 52 7.837 4.196 -5.816 1.00 0.00 C ATOM 814 CG PHE A 52 8.906 3.289 -5.255 1.00 0.00 C ATOM 815 CD1 PHE A 52 9.247 2.102 -5.885 1.00 0.00 C ATOM 816 CD2 PHE A 52 9.556 3.626 -4.077 1.00 0.00 C ATOM 817 CE1 PHE A 52 10.214 1.271 -5.351 1.00 0.00 C ATOM 818 CE2 PHE A 52 10.522 2.799 -3.539 1.00 0.00 C ATOM 819 CZ PHE A 52 10.851 1.619 -4.177 1.00 0.00 C ATOM 0 H PHE A 52 5.663 2.715 -6.873 1.00 0.00 H new ATOM 0 HA PHE A 52 6.490 3.740 -4.242 1.00 0.00 H new ATOM 0 HB2 PHE A 52 7.856 4.137 -6.904 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.070 5.227 -5.549 1.00 0.00 H new ATOM 0 HD1 PHE A 52 8.752 1.823 -6.803 1.00 0.00 H new ATOM 0 HD2 PHE A 52 9.303 4.548 -3.574 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.471 0.350 -5.852 1.00 0.00 H new ATOM 0 HE2 PHE A 52 11.020 3.074 -2.621 1.00 0.00 H new ATOM 0 HZ PHE A 52 11.605 0.970 -3.758 1.00 0.00 H new ATOM 829 N LEU A 53 4.794 5.447 -4.649 1.00 0.00 N ATOM 830 CA LEU A 53 3.799 6.473 -4.812 1.00 0.00 C ATOM 831 C LEU A 53 4.054 7.589 -3.827 1.00 0.00 C ATOM 832 O LEU A 53 4.684 7.378 -2.803 1.00 0.00 O ATOM 833 CB LEU A 53 2.397 5.896 -4.669 1.00 0.00 C ATOM 834 CG LEU A 53 1.995 4.851 -5.720 1.00 0.00 C ATOM 835 CD1 LEU A 53 0.679 4.245 -5.349 1.00 0.00 C ATOM 836 CD2 LEU A 53 1.897 5.481 -7.113 1.00 0.00 C ATOM 0 H LEU A 53 4.917 5.133 -3.686 1.00 0.00 H new ATOM 0 HA LEU A 53 3.869 6.886 -5.818 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.310 5.443 -3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.681 6.717 -4.707 1.00 0.00 H new ATOM 0 HG LEU A 53 2.763 4.078 -5.746 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.396 3.504 -6.096 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.762 3.764 -4.374 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.081 5.025 -5.305 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.611 4.719 -7.838 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.147 6.272 -7.103 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.863 5.901 -7.391 1.00 0.00 H new ATOM 848 N GLY A 54 3.607 8.774 -4.150 1.00 0.00 N ATOM 849 CA GLY A 54 3.906 9.903 -3.321 1.00 0.00 C ATOM 850 C GLY A 54 2.795 10.181 -2.361 1.00 0.00 C ATOM 851 O GLY A 54 1.746 9.561 -2.459 1.00 0.00 O ATOM 0 H GLY A 54 3.040 8.978 -4.973 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.828 9.718 -2.770 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.078 10.780 -3.945 1.00 0.00 H new ATOM 855 N PRO A 55 2.955 11.168 -1.459 1.00 0.00 N ATOM 856 CA PRO A 55 1.935 11.504 -0.447 1.00 0.00 C ATOM 857 C PRO A 55 0.655 12.063 -1.075 1.00 0.00 C ATOM 858 O PRO A 55 -0.349 12.308 -0.391 1.00 0.00 O ATOM 859 CB PRO A 55 2.621 12.568 0.422 1.00 0.00 C ATOM 860 CG PRO A 55 3.688 13.140 -0.443 1.00 0.00 C ATOM 861 CD PRO A 55 4.150 12.025 -1.335 1.00 0.00 C ATOM 0 HA PRO A 55 1.615 10.626 0.114 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.915 13.336 0.738 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.040 12.129 1.327 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.306 13.975 -1.030 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.512 13.524 0.158 1.00 0.00 H new ATOM 0 HD2 PRO A 55 4.480 12.397 -2.305 1.00 0.00 H new ATOM 0 HD3 PRO A 55 4.989 11.483 -0.899 1.00 0.00 H new ATOM 869 N LYS A 56 0.708 12.302 -2.363 1.00 0.00 N ATOM 870 CA LYS A 56 -0.437 12.768 -3.092 1.00 0.00 C ATOM 871 C LYS A 56 -1.155 11.617 -3.787 1.00 0.00 C ATOM 872 O LYS A 56 -2.282 11.764 -4.226 1.00 0.00 O ATOM 873 CB LYS A 56 -0.036 13.815 -4.119 1.00 0.00 C ATOM 874 CG LYS A 56 0.722 14.987 -3.537 1.00 0.00 C ATOM 875 CD LYS A 56 1.088 16.028 -4.608 1.00 0.00 C ATOM 876 CE LYS A 56 -0.140 16.606 -5.327 1.00 0.00 C ATOM 877 NZ LYS A 56 -1.068 17.312 -4.398 1.00 0.00 N ATOM 0 H LYS A 56 1.546 12.178 -2.931 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.119 13.220 -2.372 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.579 13.342 -4.885 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.933 14.186 -4.615 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.118 15.461 -2.763 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.631 14.627 -3.056 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.645 16.841 -4.142 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.749 15.569 -5.342 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.190 17.299 -6.101 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.676 15.800 -5.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.853 17.726 -4.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.445 16.636 -3.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.554 18.067 -3.901 1.00 0.00 H new ATOM 891 N ASP A 57 -0.488 10.494 -3.882 1.00 0.00 N ATOM 892 CA ASP A 57 -1.044 9.320 -4.553 1.00 0.00 C ATOM 893 C ASP A 57 -1.721 8.437 -3.562 1.00 0.00 C ATOM 894 O ASP A 57 -2.464 7.518 -3.934 1.00 0.00 O ATOM 895 CB ASP A 57 0.048 8.469 -5.213 1.00 0.00 C ATOM 896 CG ASP A 57 0.694 9.053 -6.436 1.00 0.00 C ATOM 897 OD1 ASP A 57 -0.026 9.284 -7.430 1.00 0.00 O ATOM 898 OD2 ASP A 57 1.961 9.190 -6.447 1.00 0.00 O ATOM 0 H ASP A 57 0.449 10.356 -3.503 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.737 9.694 -5.307 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.825 8.276 -4.474 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.384 7.505 -5.481 1.00 0.00 H new ATOM 903 N ILE A 58 -1.447 8.696 -2.315 1.00 0.00 N ATOM 904 CA ILE A 58 -1.873 7.848 -1.253 1.00 0.00 C ATOM 905 C ILE A 58 -2.788 8.551 -0.269 1.00 0.00 C ATOM 906 O ILE A 58 -2.673 9.783 0.007 1.00 0.00 O ATOM 907 CB ILE A 58 -0.662 7.269 -0.505 1.00 0.00 C ATOM 908 CG1 ILE A 58 0.186 8.406 0.048 1.00 0.00 C ATOM 909 CG2 ILE A 58 0.163 6.390 -1.435 1.00 0.00 C ATOM 910 CD1 ILE A 58 1.447 7.967 0.710 1.00 0.00 C ATOM 0 H ILE A 58 -0.916 9.512 -2.010 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.444 7.042 -1.714 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.012 6.653 0.323 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.435 9.087 -0.766 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.409 8.971 0.765 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.017 5.987 -0.892 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.454 5.570 -1.802 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.517 6.984 -2.278 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.989 8.839 1.075 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.209 7.311 1.548 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.066 7.429 -0.007 1.00 0.00 H new ATOM 922 N PHE A 59 -3.664 7.774 0.278 1.00 0.00 N ATOM 923 CA PHE A 59 -4.640 8.223 1.229 1.00 0.00 C ATOM 924 C PHE A 59 -4.677 7.206 2.331 1.00 0.00 C ATOM 925 O PHE A 59 -4.700 6.042 2.057 1.00 0.00 O ATOM 926 CB PHE A 59 -6.034 8.337 0.595 1.00 0.00 C ATOM 927 CG PHE A 59 -6.153 9.346 -0.523 1.00 0.00 C ATOM 928 CD1 PHE A 59 -5.749 9.037 -1.811 1.00 0.00 C ATOM 929 CD2 PHE A 59 -6.669 10.604 -0.279 1.00 0.00 C ATOM 930 CE1 PHE A 59 -5.852 9.961 -2.826 1.00 0.00 C ATOM 931 CE2 PHE A 59 -6.779 11.534 -1.290 1.00 0.00 C ATOM 932 CZ PHE A 59 -6.368 11.213 -2.567 1.00 0.00 C ATOM 0 H PHE A 59 -3.726 6.777 0.072 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.368 9.212 1.597 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.322 7.358 0.211 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.750 8.597 1.375 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.347 8.057 -2.022 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.991 10.863 0.719 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.529 9.705 -3.824 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.186 12.513 -1.083 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.450 11.940 -3.361 1.00 0.00 H new ATOM 942 N PRO A 60 -4.652 7.628 3.571 1.00 0.00 N ATOM 943 CA PRO A 60 -4.624 6.721 4.718 1.00 0.00 C ATOM 944 C PRO A 60 -5.863 5.876 4.834 1.00 0.00 C ATOM 945 O PRO A 60 -6.985 6.378 4.836 1.00 0.00 O ATOM 946 CB PRO A 60 -4.448 7.636 5.895 1.00 0.00 C ATOM 947 CG PRO A 60 -4.932 8.955 5.433 1.00 0.00 C ATOM 948 CD PRO A 60 -4.668 9.013 3.972 1.00 0.00 C ATOM 0 HA PRO A 60 -3.824 5.985 4.633 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.018 7.286 6.755 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.404 7.685 6.204 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.996 9.072 5.640 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.415 9.762 5.953 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.442 9.573 3.447 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.719 9.503 3.756 1.00 0.00 H new ATOM 956 N TYR A 61 -5.627 4.599 4.942 1.00 0.00 N ATOM 957 CA TYR A 61 -6.637 3.575 4.959 1.00 0.00 C ATOM 958 C TYR A 61 -7.627 3.746 6.082 1.00 0.00 C ATOM 959 O TYR A 61 -8.781 3.479 5.908 1.00 0.00 O ATOM 960 CB TYR A 61 -5.966 2.210 5.030 1.00 0.00 C ATOM 961 CG TYR A 61 -6.894 1.047 5.249 1.00 0.00 C ATOM 962 CD1 TYR A 61 -7.720 0.594 4.242 1.00 0.00 C ATOM 963 CD2 TYR A 61 -6.923 0.393 6.466 1.00 0.00 C ATOM 964 CE1 TYR A 61 -8.556 -0.477 4.435 1.00 0.00 C ATOM 965 CE2 TYR A 61 -7.751 -0.689 6.671 1.00 0.00 C ATOM 966 CZ TYR A 61 -8.564 -1.118 5.645 1.00 0.00 C ATOM 967 OH TYR A 61 -9.389 -2.184 5.828 1.00 0.00 O ATOM 0 H TYR A 61 -4.682 4.225 5.024 1.00 0.00 H new ATOM 0 HA TYR A 61 -7.212 3.659 4.037 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.416 2.045 4.103 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.233 2.225 5.837 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.709 1.091 3.283 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.287 0.735 7.269 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.203 -0.812 3.638 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.763 -1.195 7.625 1.00 0.00 H new ATOM 0 HH TYR A 61 -9.790 -2.138 6.721 1.00 0.00 H new ATOM 977 N SER A 62 -7.173 4.212 7.205 1.00 0.00 N ATOM 978 CA SER A 62 -8.048 4.362 8.348 1.00 0.00 C ATOM 979 C SER A 62 -9.099 5.467 8.084 1.00 0.00 C ATOM 980 O SER A 62 -10.307 5.232 8.165 1.00 0.00 O ATOM 981 CB SER A 62 -7.216 4.654 9.615 1.00 0.00 C ATOM 982 OG SER A 62 -8.017 4.690 10.780 1.00 0.00 O ATOM 0 H SER A 62 -6.206 4.497 7.364 1.00 0.00 H new ATOM 0 HA SER A 62 -8.589 3.430 8.511 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.447 3.890 9.728 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.702 5.608 9.499 1.00 0.00 H new ATOM 0 HG SER A 62 -7.453 4.876 11.559 1.00 0.00 H new ATOM 988 N GLU A 63 -8.625 6.628 7.689 1.00 0.00 N ATOM 989 CA GLU A 63 -9.466 7.798 7.488 1.00 0.00 C ATOM 990 C GLU A 63 -10.167 7.775 6.137 1.00 0.00 C ATOM 991 O GLU A 63 -10.949 8.675 5.822 1.00 0.00 O ATOM 992 CB GLU A 63 -8.640 9.090 7.595 1.00 0.00 C ATOM 993 CG GLU A 63 -7.739 9.171 8.818 1.00 0.00 C ATOM 994 CD GLU A 63 -6.339 8.626 8.580 1.00 0.00 C ATOM 995 OE1 GLU A 63 -6.165 7.387 8.465 1.00 0.00 O ATOM 996 OE2 GLU A 63 -5.396 9.434 8.477 1.00 0.00 O ATOM 0 H GLU A 63 -7.637 6.793 7.495 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.222 7.774 8.273 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.025 9.186 6.701 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -9.322 9.941 7.606 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.666 10.211 9.137 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.201 8.619 9.636 1.00 0.00 H new ATOM 1003 N ASN A 64 -9.836 6.801 5.324 1.00 0.00 N ATOM 1004 CA ASN A 64 -10.408 6.651 4.004 1.00 0.00 C ATOM 1005 C ASN A 64 -10.992 5.255 3.801 1.00 0.00 C ATOM 1006 O ASN A 64 -11.296 4.869 2.666 1.00 0.00 O ATOM 1007 CB ASN A 64 -9.352 6.943 2.918 1.00 0.00 C ATOM 1008 CG ASN A 64 -8.880 8.390 2.888 1.00 0.00 C ATOM 1009 OD1 ASN A 64 -9.373 9.203 2.130 1.00 0.00 O ATOM 1010 ND2 ASN A 64 -7.942 8.722 3.731 1.00 0.00 N ATOM 0 H ASN A 64 -9.154 6.081 5.561 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.219 7.374 3.916 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.491 6.294 3.079 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.767 6.687 1.943 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -7.605 9.684 3.766 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -7.546 8.020 4.356 1.00 0.00 H new ATOM 1017 N LYS A 65 -11.187 4.505 4.886 1.00 0.00 N ATOM 1018 CA LYS A 65 -11.737 3.139 4.780 1.00 0.00 C ATOM 1019 C LYS A 65 -13.177 3.193 4.325 1.00 0.00 C ATOM 1020 O LYS A 65 -13.636 2.371 3.544 1.00 0.00 O ATOM 1021 CB LYS A 65 -11.613 2.357 6.101 1.00 0.00 C ATOM 1022 CG LYS A 65 -12.164 0.935 6.035 1.00 0.00 C ATOM 1023 CD LYS A 65 -11.936 0.174 7.334 1.00 0.00 C ATOM 1024 CE LYS A 65 -12.471 -1.254 7.243 1.00 0.00 C ATOM 1025 NZ LYS A 65 -12.196 -2.027 8.476 1.00 0.00 N ATOM 0 H LYS A 65 -10.978 4.807 5.838 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.146 2.603 4.037 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.563 2.316 6.390 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.138 2.903 6.885 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -13.232 0.970 5.818 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.689 0.400 5.213 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.870 0.151 7.562 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.427 0.697 8.155 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -13.546 -1.228 7.063 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -12.017 -1.758 6.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.420 -3.030 8.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.191 -1.933 8.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -12.784 -1.662 9.253 1.00 0.00 H new ATOM 1039 N GLU A 66 -13.865 4.181 4.773 1.00 0.00 N ATOM 1040 CA GLU A 66 -15.200 4.391 4.379 1.00 0.00 C ATOM 1041 C GLU A 66 -15.300 4.882 2.936 1.00 0.00 C ATOM 1042 O GLU A 66 -16.269 4.579 2.218 1.00 0.00 O ATOM 1043 CB GLU A 66 -15.929 5.271 5.372 1.00 0.00 C ATOM 1044 CG GLU A 66 -15.090 6.274 6.131 1.00 0.00 C ATOM 1045 CD GLU A 66 -14.395 7.291 5.276 1.00 0.00 C ATOM 1046 OE1 GLU A 66 -13.299 7.000 4.788 1.00 0.00 O ATOM 1047 OE2 GLU A 66 -14.912 8.394 5.077 1.00 0.00 O ATOM 0 H GLU A 66 -13.507 4.872 5.432 1.00 0.00 H new ATOM 0 HA GLU A 66 -15.712 3.429 4.390 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.709 5.814 4.838 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.428 4.627 6.096 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -15.729 6.795 6.843 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.341 5.735 6.710 1.00 0.00 H new ATOM 1054 N LYS A 67 -14.264 5.567 2.491 1.00 0.00 N ATOM 1055 CA LYS A 67 -14.206 6.092 1.152 1.00 0.00 C ATOM 1056 C LYS A 67 -13.811 5.043 0.137 1.00 0.00 C ATOM 1057 O LYS A 67 -14.585 4.717 -0.772 1.00 0.00 O ATOM 1058 CB LYS A 67 -13.259 7.275 1.071 1.00 0.00 C ATOM 1059 CG LYS A 67 -13.631 8.299 2.067 1.00 0.00 C ATOM 1060 CD LYS A 67 -12.966 9.613 1.861 1.00 0.00 C ATOM 1061 CE LYS A 67 -12.117 9.891 3.042 1.00 0.00 C ATOM 1062 NZ LYS A 67 -12.868 9.862 4.324 1.00 0.00 N ATOM 0 H LYS A 67 -13.439 5.772 3.055 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.214 6.425 0.907 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.236 6.943 1.246 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.288 7.705 0.070 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.711 8.442 2.040 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.383 7.930 3.062 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -12.362 9.595 0.954 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.710 10.400 1.733 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.312 9.157 3.083 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.651 10.869 2.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.925 10.824 4.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -13.828 9.499 4.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.377 9.242 5.000 1.00 0.00 H new ATOM 1076 N TYR A 68 -12.665 4.454 0.330 1.00 0.00 N ATOM 1077 CA TYR A 68 -12.109 3.550 -0.669 1.00 0.00 C ATOM 1078 C TYR A 68 -12.035 2.123 -0.197 1.00 0.00 C ATOM 1079 O TYR A 68 -11.815 1.224 -0.993 1.00 0.00 O ATOM 1080 CB TYR A 68 -10.728 4.023 -1.103 1.00 0.00 C ATOM 1081 CG TYR A 68 -10.726 5.419 -1.638 1.00 0.00 C ATOM 1082 CD1 TYR A 68 -11.230 5.690 -2.889 1.00 0.00 C ATOM 1083 CD2 TYR A 68 -10.247 6.468 -0.876 1.00 0.00 C ATOM 1084 CE1 TYR A 68 -11.248 6.980 -3.382 1.00 0.00 C ATOM 1085 CE2 TYR A 68 -10.259 7.758 -1.349 1.00 0.00 C ATOM 1086 CZ TYR A 68 -10.759 8.010 -2.606 1.00 0.00 C ATOM 1087 OH TYR A 68 -10.771 9.289 -3.090 1.00 0.00 O ATOM 0 H TYR A 68 -12.090 4.575 1.163 1.00 0.00 H new ATOM 0 HA TYR A 68 -12.792 3.571 -1.518 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -10.047 3.965 -0.254 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -10.343 3.347 -1.867 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -11.617 4.883 -3.494 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -9.856 6.270 0.111 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -11.642 7.181 -4.367 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -9.880 8.566 -0.741 1.00 0.00 H new ATOM 0 HH TYR A 68 -10.393 9.896 -2.420 1.00 0.00 H new ATOM 1097 N GLY A 69 -12.254 1.908 1.081 1.00 0.00 N ATOM 1098 CA GLY A 69 -12.155 0.572 1.652 1.00 0.00 C ATOM 1099 C GLY A 69 -13.376 -0.282 1.367 1.00 0.00 C ATOM 1100 O GLY A 69 -14.038 -0.758 2.282 1.00 0.00 O ATOM 0 H GLY A 69 -12.502 2.637 1.749 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.270 0.076 1.253 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.017 0.652 2.730 1.00 0.00 H new ATOM 1104 N LYS A 70 -13.694 -0.433 0.112 1.00 0.00 N ATOM 1105 CA LYS A 70 -14.813 -1.240 -0.308 1.00 0.00 C ATOM 1106 C LYS A 70 -14.394 -2.165 -1.441 1.00 0.00 C ATOM 1107 O LYS A 70 -13.515 -1.806 -2.211 1.00 0.00 O ATOM 1108 CB LYS A 70 -16.012 -0.355 -0.693 1.00 0.00 C ATOM 1109 CG LYS A 70 -15.697 0.732 -1.713 1.00 0.00 C ATOM 1110 CD LYS A 70 -16.904 1.634 -1.989 1.00 0.00 C ATOM 1111 CE LYS A 70 -17.457 2.275 -0.707 1.00 0.00 C ATOM 1112 NZ LYS A 70 -16.402 2.959 0.077 1.00 0.00 N ATOM 0 H LYS A 70 -13.183 0.002 -0.656 1.00 0.00 H new ATOM 0 HA LYS A 70 -15.136 -1.864 0.526 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -16.803 -0.991 -1.092 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -16.405 0.114 0.209 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -14.867 1.339 -1.350 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -15.370 0.270 -2.645 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -16.617 2.418 -2.690 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -17.689 1.050 -2.469 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -18.236 2.992 -0.968 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -17.924 1.507 -0.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.843 3.595 0.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.825 2.251 0.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.797 3.511 -0.563 1.00 0.00 H new ATOM 1126 N PRO A 71 -14.994 -3.378 -1.516 1.00 0.00 N ATOM 1127 CA PRO A 71 -14.688 -4.387 -2.545 1.00 0.00 C ATOM 1128 C PRO A 71 -14.711 -3.868 -3.974 1.00 0.00 C ATOM 1129 O PRO A 71 -15.386 -2.874 -4.304 1.00 0.00 O ATOM 1130 CB PRO A 71 -15.809 -5.396 -2.392 1.00 0.00 C ATOM 1131 CG PRO A 71 -16.199 -5.314 -0.970 1.00 0.00 C ATOM 1132 CD PRO A 71 -16.000 -3.883 -0.566 1.00 0.00 C ATOM 0 HA PRO A 71 -13.677 -4.766 -2.397 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -16.648 -5.158 -3.046 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -15.476 -6.400 -2.653 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -17.237 -5.617 -0.832 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -15.589 -5.980 -0.360 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -16.929 -3.317 -0.632 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -15.651 -3.804 0.464 1.00 0.00 H new ATOM 1140 N ASN A 72 -14.013 -4.564 -4.832 1.00 0.00 N ATOM 1141 CA ASN A 72 -13.975 -4.179 -6.212 1.00 0.00 C ATOM 1142 C ASN A 72 -13.958 -5.399 -7.102 1.00 0.00 C ATOM 1143 O ASN A 72 -14.067 -6.521 -6.631 1.00 0.00 O ATOM 1144 CB ASN A 72 -12.750 -3.315 -6.511 1.00 0.00 C ATOM 1145 CG ASN A 72 -13.044 -2.304 -7.595 1.00 0.00 C ATOM 1146 OD1 ASN A 72 -12.878 -2.555 -8.820 1.00 0.00 O ATOM 1147 ND2 ASN A 72 -13.534 -1.209 -7.170 1.00 0.00 N ATOM 0 H ASN A 72 -13.468 -5.394 -4.599 1.00 0.00 H new ATOM 0 HA ASN A 72 -14.873 -3.595 -6.415 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -12.436 -2.798 -5.604 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -11.920 -3.951 -6.819 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -13.813 -0.485 -7.831 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -13.647 -1.056 -6.168 1.00 0.00 H new ATOM 1154 N LYS A 73 -13.785 -5.161 -8.389 1.00 0.00 N ATOM 1155 CA LYS A 73 -13.745 -6.203 -9.394 1.00 0.00 C ATOM 1156 C LYS A 73 -12.300 -6.604 -9.635 1.00 0.00 C ATOM 1157 O LYS A 73 -12.002 -7.412 -10.494 1.00 0.00 O ATOM 1158 CB LYS A 73 -14.384 -5.731 -10.728 1.00 0.00 C ATOM 1159 CG LYS A 73 -15.882 -5.358 -10.665 1.00 0.00 C ATOM 1160 CD LYS A 73 -16.188 -4.005 -9.973 1.00 0.00 C ATOM 1161 CE LYS A 73 -15.890 -2.763 -10.851 1.00 0.00 C ATOM 1162 NZ LYS A 73 -14.446 -2.582 -11.194 1.00 0.00 N ATOM 0 H LYS A 73 -13.667 -4.222 -8.770 1.00 0.00 H new ATOM 0 HA LYS A 73 -14.320 -7.055 -9.031 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.829 -4.865 -11.088 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -14.257 -6.521 -11.468 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -16.277 -5.328 -11.680 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -16.417 -6.148 -10.138 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -17.238 -3.987 -9.682 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.602 -3.937 -9.056 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -16.464 -2.840 -11.775 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.242 -1.872 -10.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.293 -1.619 -11.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.866 -2.729 -10.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.173 -3.272 -11.923 1.00 0.00 H new ATOM 1176 N ARG A 74 -11.400 -5.979 -8.906 1.00 0.00 N ATOM 1177 CA ARG A 74 -10.003 -6.331 -9.002 1.00 0.00 C ATOM 1178 C ARG A 74 -9.693 -7.538 -8.134 1.00 0.00 C ATOM 1179 O ARG A 74 -9.928 -7.521 -6.928 1.00 0.00 O ATOM 1180 CB ARG A 74 -9.102 -5.157 -8.618 1.00 0.00 C ATOM 1181 CG ARG A 74 -8.937 -4.074 -9.679 1.00 0.00 C ATOM 1182 CD ARG A 74 -8.165 -4.594 -10.896 1.00 0.00 C ATOM 1183 NE ARG A 74 -7.756 -3.513 -11.830 1.00 0.00 N ATOM 1184 CZ ARG A 74 -7.359 -3.702 -13.112 1.00 0.00 C ATOM 1185 NH1 ARG A 74 -7.447 -4.916 -13.672 1.00 0.00 N ATOM 1186 NH2 ARG A 74 -6.880 -2.678 -13.826 1.00 0.00 N ATOM 0 H ARG A 74 -11.610 -5.230 -8.246 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.799 -6.585 -10.042 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -9.502 -4.697 -7.715 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.116 -5.547 -8.367 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -9.918 -3.719 -9.994 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.411 -3.221 -9.251 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.277 -5.127 -10.555 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -8.784 -5.314 -11.431 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.776 -2.555 -11.479 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.814 -5.701 -13.133 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -7.148 -5.055 -14.637 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.812 -1.751 -13.406 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -6.582 -2.824 -14.791 1.00 0.00 H new ATOM 1200 N LYS A 75 -9.210 -8.585 -8.758 1.00 0.00 N ATOM 1201 CA LYS A 75 -8.777 -9.766 -8.051 1.00 0.00 C ATOM 1202 C LYS A 75 -7.498 -9.386 -7.299 1.00 0.00 C ATOM 1203 O LYS A 75 -6.573 -8.842 -7.897 1.00 0.00 O ATOM 1204 CB LYS A 75 -8.511 -10.906 -9.076 1.00 0.00 C ATOM 1205 CG LYS A 75 -8.402 -12.333 -8.499 1.00 0.00 C ATOM 1206 CD LYS A 75 -7.218 -12.509 -7.568 1.00 0.00 C ATOM 1207 CE LYS A 75 -7.169 -13.890 -6.951 1.00 0.00 C ATOM 1208 NZ LYS A 75 -6.221 -13.916 -5.816 1.00 0.00 N ATOM 0 H LYS A 75 -9.106 -8.642 -9.771 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.531 -10.122 -7.349 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.313 -10.896 -9.814 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.586 -10.680 -9.607 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.319 -12.572 -7.960 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.320 -13.045 -9.320 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -6.296 -12.328 -8.120 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.268 -11.762 -6.776 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.163 -14.178 -6.609 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.867 -14.620 -7.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.083 -14.898 -5.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.309 -13.517 -6.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.604 -13.351 -5.031 1.00 0.00 H new ATOM 1222 N GLY A 76 -7.469 -9.641 -6.011 1.00 0.00 N ATOM 1223 CA GLY A 76 -6.323 -9.301 -5.200 1.00 0.00 C ATOM 1224 C GLY A 76 -6.627 -8.120 -4.325 1.00 0.00 C ATOM 1225 O GLY A 76 -6.079 -7.967 -3.242 1.00 0.00 O ATOM 0 H GLY A 76 -8.232 -10.086 -5.500 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.041 -10.154 -4.583 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.471 -9.076 -5.841 1.00 0.00 H new ATOM 1229 N PHE A 77 -7.563 -7.327 -4.779 1.00 0.00 N ATOM 1230 CA PHE A 77 -7.962 -6.109 -4.110 1.00 0.00 C ATOM 1231 C PHE A 77 -8.730 -6.448 -2.864 1.00 0.00 C ATOM 1232 O PHE A 77 -8.519 -5.876 -1.801 1.00 0.00 O ATOM 1233 CB PHE A 77 -8.855 -5.312 -5.063 1.00 0.00 C ATOM 1234 CG PHE A 77 -9.303 -3.963 -4.577 1.00 0.00 C ATOM 1235 CD1 PHE A 77 -10.443 -3.830 -3.802 1.00 0.00 C ATOM 1236 CD2 PHE A 77 -8.595 -2.828 -4.913 1.00 0.00 C ATOM 1237 CE1 PHE A 77 -10.859 -2.595 -3.372 1.00 0.00 C ATOM 1238 CE2 PHE A 77 -9.013 -1.588 -4.486 1.00 0.00 C ATOM 1239 CZ PHE A 77 -10.146 -1.473 -3.714 1.00 0.00 C ATOM 0 H PHE A 77 -8.080 -7.510 -5.639 1.00 0.00 H new ATOM 0 HA PHE A 77 -7.085 -5.523 -3.836 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -8.320 -5.177 -6.003 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -9.740 -5.909 -5.283 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -11.011 -4.708 -3.533 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.704 -2.913 -5.517 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -11.747 -2.506 -2.764 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -8.452 -0.706 -4.757 1.00 0.00 H new ATOM 0 HZ PHE A 77 -10.474 -0.501 -3.377 1.00 0.00 H new ATOM 1249 N ASN A 78 -9.580 -7.413 -2.998 1.00 0.00 N ATOM 1250 CA ASN A 78 -10.488 -7.785 -1.948 1.00 0.00 C ATOM 1251 C ASN A 78 -9.787 -8.623 -0.911 1.00 0.00 C ATOM 1252 O ASN A 78 -10.072 -8.522 0.283 1.00 0.00 O ATOM 1253 CB ASN A 78 -11.701 -8.481 -2.549 1.00 0.00 C ATOM 1254 CG ASN A 78 -12.471 -7.543 -3.472 1.00 0.00 C ATOM 1255 OD1 ASN A 78 -12.552 -6.352 -3.235 1.00 0.00 O ATOM 1256 ND2 ASN A 78 -12.955 -8.051 -4.558 1.00 0.00 N ATOM 0 H ASN A 78 -9.669 -7.974 -3.845 1.00 0.00 H new ATOM 0 HA ASN A 78 -10.843 -6.893 -1.432 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -11.380 -9.361 -3.106 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -12.356 -8.830 -1.751 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -13.418 -7.450 -5.240 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -12.874 -9.053 -4.733 1.00 0.00 H new ATOM 1263 N GLU A 79 -8.843 -9.424 -1.355 1.00 0.00 N ATOM 1264 CA GLU A 79 -8.029 -10.199 -0.451 1.00 0.00 C ATOM 1265 C GLU A 79 -7.080 -9.265 0.276 1.00 0.00 C ATOM 1266 O GLU A 79 -6.762 -9.462 1.445 1.00 0.00 O ATOM 1267 CB GLU A 79 -7.229 -11.290 -1.176 1.00 0.00 C ATOM 1268 CG GLU A 79 -8.054 -12.188 -2.087 1.00 0.00 C ATOM 1269 CD GLU A 79 -8.179 -11.650 -3.497 1.00 0.00 C ATOM 1270 OE1 GLU A 79 -8.888 -10.641 -3.733 1.00 0.00 O ATOM 1271 OE2 GLU A 79 -7.551 -12.230 -4.393 1.00 0.00 O ATOM 0 H GLU A 79 -8.621 -9.554 -2.342 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.691 -10.702 0.254 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.448 -10.814 -1.769 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.731 -11.911 -0.431 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -7.598 -13.178 -2.121 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.050 -12.310 -1.662 1.00 0.00 H new ATOM 1278 N GLY A 80 -6.659 -8.224 -0.421 1.00 0.00 N ATOM 1279 CA GLY A 80 -5.804 -7.236 0.165 1.00 0.00 C ATOM 1280 C GLY A 80 -6.532 -6.415 1.174 1.00 0.00 C ATOM 1281 O GLY A 80 -5.979 -6.052 2.204 1.00 0.00 O ATOM 0 H GLY A 80 -6.903 -8.051 -1.396 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.952 -7.724 0.638 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.407 -6.587 -0.616 1.00 0.00 H new ATOM 1285 N LEU A 81 -7.784 -6.135 0.874 1.00 0.00 N ATOM 1286 CA LEU A 81 -8.685 -5.448 1.753 1.00 0.00 C ATOM 1287 C LEU A 81 -8.830 -6.259 3.047 1.00 0.00 C ATOM 1288 O LEU A 81 -8.961 -5.709 4.126 1.00 0.00 O ATOM 1289 CB LEU A 81 -10.011 -5.334 1.023 1.00 0.00 C ATOM 1290 CG LEU A 81 -11.116 -4.531 1.662 1.00 0.00 C ATOM 1291 CD1 LEU A 81 -10.696 -3.075 1.820 1.00 0.00 C ATOM 1292 CD2 LEU A 81 -12.349 -4.645 0.797 1.00 0.00 C ATOM 0 H LEU A 81 -8.208 -6.391 -0.018 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.323 -4.455 2.020 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.813 -4.904 0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.387 -6.344 0.859 1.00 0.00 H new ATOM 0 HG LEU A 81 -11.330 -4.919 2.658 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.506 -2.511 2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.808 -3.019 2.450 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.473 -2.652 0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -13.161 -4.070 1.243 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.133 -4.256 -0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.645 -5.691 0.721 1.00 0.00 H new ATOM 1304 N TRP A 82 -8.764 -7.574 2.909 1.00 0.00 N ATOM 1305 CA TRP A 82 -8.791 -8.462 4.035 1.00 0.00 C ATOM 1306 C TRP A 82 -7.455 -8.386 4.799 1.00 0.00 C ATOM 1307 O TRP A 82 -7.447 -8.186 6.016 1.00 0.00 O ATOM 1308 CB TRP A 82 -9.091 -9.900 3.574 1.00 0.00 C ATOM 1309 CG TRP A 82 -9.020 -10.912 4.669 1.00 0.00 C ATOM 1310 CD1 TRP A 82 -9.987 -11.208 5.571 1.00 0.00 C ATOM 1311 CD2 TRP A 82 -7.913 -11.762 4.971 1.00 0.00 C ATOM 1312 NE1 TRP A 82 -9.542 -12.179 6.439 1.00 0.00 N ATOM 1313 CE2 TRP A 82 -8.270 -12.539 6.084 1.00 0.00 C ATOM 1314 CE3 TRP A 82 -6.651 -11.930 4.406 1.00 0.00 C ATOM 1315 CZ2 TRP A 82 -7.409 -13.476 6.644 1.00 0.00 C ATOM 1316 CZ3 TRP A 82 -5.793 -12.859 4.957 1.00 0.00 C ATOM 1317 CH2 TRP A 82 -6.175 -13.622 6.068 1.00 0.00 C ATOM 0 H TRP A 82 -8.690 -8.045 2.007 1.00 0.00 H new ATOM 0 HA TRP A 82 -9.587 -8.156 4.713 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -10.086 -9.929 3.130 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -8.384 -10.175 2.791 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -10.964 -10.749 5.604 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -10.073 -12.567 7.219 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -6.349 -11.343 3.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -7.702 -14.066 7.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -4.813 -13.000 4.526 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -5.482 -14.341 6.479 1.00 0.00 H new ATOM 1328 N GLU A 83 -6.337 -8.530 4.074 1.00 0.00 N ATOM 1329 CA GLU A 83 -4.993 -8.473 4.678 1.00 0.00 C ATOM 1330 C GLU A 83 -4.767 -7.219 5.482 1.00 0.00 C ATOM 1331 O GLU A 83 -4.389 -7.297 6.625 1.00 0.00 O ATOM 1332 CB GLU A 83 -3.852 -8.616 3.658 1.00 0.00 C ATOM 1333 CG GLU A 83 -3.574 -10.026 3.189 1.00 0.00 C ATOM 1334 CD GLU A 83 -2.284 -10.120 2.356 1.00 0.00 C ATOM 1335 OE1 GLU A 83 -2.222 -9.554 1.252 1.00 0.00 O ATOM 1336 OE2 GLU A 83 -1.298 -10.738 2.806 1.00 0.00 O ATOM 0 H GLU A 83 -6.334 -8.687 3.066 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.969 -9.336 5.343 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -4.086 -8.002 2.789 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.941 -8.212 4.099 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.495 -10.685 4.053 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.415 -10.381 2.594 1.00 0.00 H new ATOM 1343 N ILE A 84 -5.066 -6.084 4.906 1.00 0.00 N ATOM 1344 CA ILE A 84 -4.765 -4.806 5.535 1.00 0.00 C ATOM 1345 C ILE A 84 -5.613 -4.554 6.801 1.00 0.00 C ATOM 1346 O ILE A 84 -5.205 -3.818 7.695 1.00 0.00 O ATOM 1347 CB ILE A 84 -4.917 -3.634 4.516 1.00 0.00 C ATOM 1348 CG1 ILE A 84 -4.372 -2.323 5.095 1.00 0.00 C ATOM 1349 CG2 ILE A 84 -6.372 -3.472 4.088 1.00 0.00 C ATOM 1350 CD1 ILE A 84 -4.310 -1.184 4.099 1.00 0.00 C ATOM 0 H ILE A 84 -5.521 -6.009 3.996 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.725 -4.850 5.858 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.327 -3.881 3.633 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.997 -2.022 5.936 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.372 -2.501 5.489 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.453 -2.649 3.378 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -6.718 -4.393 3.618 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.987 -3.258 4.962 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.914 -0.294 4.588 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.660 -1.462 3.269 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.311 -0.975 3.722 1.00 0.00 H new ATOM 1362 N ASP A 85 -6.757 -5.196 6.884 1.00 0.00 N ATOM 1363 CA ASP A 85 -7.661 -4.963 8.004 1.00 0.00 C ATOM 1364 C ASP A 85 -7.426 -5.993 9.112 1.00 0.00 C ATOM 1365 O ASP A 85 -7.716 -5.755 10.274 1.00 0.00 O ATOM 1366 CB ASP A 85 -9.106 -5.024 7.506 1.00 0.00 C ATOM 1367 CG ASP A 85 -10.043 -4.111 8.278 1.00 0.00 C ATOM 1368 OD1 ASP A 85 -9.764 -2.872 8.345 1.00 0.00 O ATOM 1369 OD2 ASP A 85 -11.137 -4.537 8.705 1.00 0.00 O ATOM 0 H ASP A 85 -7.087 -5.878 6.201 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.467 -3.975 8.423 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -9.132 -4.752 6.451 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -9.466 -6.050 7.580 1.00 0.00 H new ATOM 1374 N ASN A 86 -6.854 -7.130 8.735 1.00 0.00 N ATOM 1375 CA ASN A 86 -6.624 -8.246 9.672 1.00 0.00 C ATOM 1376 C ASN A 86 -5.168 -8.369 10.050 1.00 0.00 C ATOM 1377 O ASN A 86 -4.805 -8.356 11.233 1.00 0.00 O ATOM 1378 CB ASN A 86 -7.119 -9.575 9.079 1.00 0.00 C ATOM 1379 CG ASN A 86 -8.623 -9.658 9.006 1.00 0.00 C ATOM 1380 OD1 ASN A 86 -9.275 -10.183 9.899 1.00 0.00 O ATOM 1381 ND2 ASN A 86 -9.179 -9.127 7.962 1.00 0.00 N ATOM 0 H ASN A 86 -6.536 -7.313 7.783 1.00 0.00 H new ATOM 0 HA ASN A 86 -7.194 -8.024 10.574 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -6.704 -9.698 8.079 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -6.743 -10.400 9.684 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -10.194 -9.138 7.864 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -8.601 -8.699 7.239 1.00 0.00 H new ATOM 1388 N ASN A 87 -4.308 -8.488 9.066 1.00 0.00 N ATOM 1389 CA ASN A 87 -2.887 -8.602 9.353 1.00 0.00 C ATOM 1390 C ASN A 87 -2.101 -7.565 8.551 1.00 0.00 C ATOM 1391 O ASN A 87 -1.425 -7.903 7.597 1.00 0.00 O ATOM 1392 CB ASN A 87 -2.358 -10.008 9.036 1.00 0.00 C ATOM 1393 CG ASN A 87 -0.969 -10.255 9.601 1.00 0.00 C ATOM 1394 OD1 ASN A 87 -0.608 -9.727 10.667 1.00 0.00 O ATOM 1395 ND2 ASN A 87 -0.182 -11.041 8.912 1.00 0.00 N ATOM 0 H ASN A 87 -4.554 -8.509 8.076 1.00 0.00 H new ATOM 0 HA ASN A 87 -2.751 -8.420 10.419 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -3.047 -10.750 9.440 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -2.336 -10.148 7.955 1.00 0.00 H new ATOM 0 HD21 ASN A 87 0.762 -11.238 9.246 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -0.512 -11.457 8.041 1.00 0.00 H new ATOM 1402 N PRO A 88 -2.187 -6.277 8.921 1.00 0.00 N ATOM 1403 CA PRO A 88 -1.532 -5.198 8.161 1.00 0.00 C ATOM 1404 C PRO A 88 -0.023 -5.156 8.375 1.00 0.00 C ATOM 1405 O PRO A 88 0.691 -4.414 7.718 1.00 0.00 O ATOM 1406 CB PRO A 88 -2.171 -3.938 8.724 1.00 0.00 C ATOM 1407 CG PRO A 88 -2.599 -4.294 10.104 1.00 0.00 C ATOM 1408 CD PRO A 88 -2.964 -5.745 10.069 1.00 0.00 C ATOM 0 HA PRO A 88 -1.663 -5.328 7.087 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -1.463 -3.109 8.734 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -3.021 -3.624 8.118 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.797 -4.112 10.819 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.448 -3.687 10.417 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -2.698 -6.247 10.999 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -4.036 -5.885 9.926 1.00 0.00 H new ATOM 1416 N LYS A 89 0.441 -5.968 9.283 1.00 0.00 N ATOM 1417 CA LYS A 89 1.841 -6.025 9.638 1.00 0.00 C ATOM 1418 C LYS A 89 2.522 -7.176 8.896 1.00 0.00 C ATOM 1419 O LYS A 89 3.599 -7.620 9.276 1.00 0.00 O ATOM 1420 CB LYS A 89 1.976 -6.207 11.166 1.00 0.00 C ATOM 1421 CG LYS A 89 1.372 -7.504 11.699 1.00 0.00 C ATOM 1422 CD LYS A 89 1.451 -7.592 13.215 1.00 0.00 C ATOM 1423 CE LYS A 89 0.931 -8.936 13.731 1.00 0.00 C ATOM 1424 NZ LYS A 89 -0.478 -9.204 13.317 1.00 0.00 N ATOM 0 H LYS A 89 -0.145 -6.619 9.806 1.00 0.00 H new ATOM 0 HA LYS A 89 2.329 -5.094 9.349 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.033 -6.175 11.432 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.496 -5.365 11.664 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.330 -7.573 11.386 1.00 0.00 H new ATOM 0 HG3 LYS A 89 1.894 -8.354 11.259 1.00 0.00 H new ATOM 0 HD2 LYS A 89 2.484 -7.454 13.534 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.870 -6.783 13.657 1.00 0.00 H new ATOM 0 HE2 LYS A 89 1.573 -9.736 13.361 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.996 -8.953 14.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -0.887 -9.936 13.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.036 -8.330 13.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -0.493 -9.532 12.330 1.00 0.00 H new