USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=16 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 64 ASN : amide:sc= -0.866 K(o=-0.37,f=-2.8!) USER MOD Set 1.2: A 67 LYS NZ :NH3+ -175:sc= 0.493 (180deg=0.637) USER MOD Single : A 6 LYS NZ :NH3+ -158:sc= 1.21 (180deg=0.217) USER MOD Single : A 14 LYS NZ :NH3+ 160:sc= 1.25 (180deg=0.777) USER MOD Single : A 15 MET CE :methyl -136:sc= -0.131 (180deg=-0.951) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.955 X(o=-0.95,f=-0.92) USER MOD Single : A 39 LYS NZ :NH3+ 155:sc= 0.505 (180deg=-0.207) USER MOD Single : A 47 THR OG1 : rot 176:sc= 1.24 USER MOD Single : A 48 HIS : no HD1:sc= 0.397 K(o=0.4,f=-6!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 40:sc= -0.86 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0354 USER MOD Single : A 65 LYS NZ :NH3+ -156:sc= 2.1 (180deg=0.96) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -109:sc= 2.15 (180deg=-2.56) USER MOD Single : A 72 ASN : amide:sc= 0.072 K(o=0.072,f=-6.6!) USER MOD Single : A 73 LYS NZ :NH3+ -166:sc=-0.00831 (180deg=-0.189) USER MOD Single : A 75 LYS NZ :NH3+ -178:sc= 1.77 (180deg=1.71) USER MOD Single : A 78 ASN : amide:sc= -1.49! C(o=-1.5!,f=-4.8!) USER MOD Single : A 86 ASN : amide:sc= 1.24 K(o=1.2,f=-0.061) USER MOD Single : A 87 ASN : amide:sc=-0.00447 K(o=-0.0045,f=-1) USER MOD Single : A 89 LYS NZ :NH3+ -167:sc= 1.19 (180deg=1.03) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 5 3.679 10.552 5.495 1.00 0.00 N ATOM 67 CA PHE A 5 3.683 9.164 5.341 1.00 0.00 C ATOM 68 C PHE A 5 5.038 8.634 5.664 1.00 0.00 C ATOM 69 O PHE A 5 6.051 9.063 5.100 1.00 0.00 O ATOM 70 CB PHE A 5 3.235 8.810 3.955 1.00 0.00 C ATOM 71 CG PHE A 5 1.859 9.340 3.622 1.00 0.00 C ATOM 72 CD1 PHE A 5 1.692 10.610 3.087 1.00 0.00 C ATOM 73 CD2 PHE A 5 0.749 8.559 3.813 1.00 0.00 C ATOM 74 CE1 PHE A 5 0.437 11.076 2.749 1.00 0.00 C ATOM 75 CE2 PHE A 5 -0.507 9.015 3.465 1.00 0.00 C ATOM 76 CZ PHE A 5 -0.661 10.270 2.933 1.00 0.00 C ATOM 0 HA PHE A 5 2.980 8.699 6.032 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.953 9.204 3.236 1.00 0.00 H new ATOM 0 HB3 PHE A 5 3.236 7.726 3.845 1.00 0.00 H new ATOM 0 HD1 PHE A 5 2.555 11.241 2.933 1.00 0.00 H new ATOM 0 HD2 PHE A 5 0.858 7.574 4.241 1.00 0.00 H new ATOM 0 HE1 PHE A 5 0.319 12.069 2.342 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -1.370 8.382 3.612 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.644 10.624 2.659 1.00 0.00 H new ATOM 86 N LYS A 6 5.041 7.750 6.582 1.00 0.00 N ATOM 87 CA LYS A 6 6.196 7.203 7.181 1.00 0.00 C ATOM 88 C LYS A 6 6.173 5.701 6.943 1.00 0.00 C ATOM 89 O LYS A 6 5.100 5.139 6.680 1.00 0.00 O ATOM 90 CB LYS A 6 6.072 7.495 8.680 1.00 0.00 C ATOM 91 CG LYS A 6 5.850 8.982 8.965 1.00 0.00 C ATOM 92 CD LYS A 6 5.330 9.244 10.365 1.00 0.00 C ATOM 93 CE LYS A 6 3.937 8.619 10.610 1.00 0.00 C ATOM 94 NZ LYS A 6 2.926 9.012 9.588 1.00 0.00 N ATOM 0 H LYS A 6 4.178 7.361 6.963 1.00 0.00 H new ATOM 0 HA LYS A 6 7.121 7.617 6.779 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.243 6.920 9.093 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.976 7.161 9.189 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.789 9.517 8.826 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.143 9.384 8.239 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.037 8.843 11.092 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.276 10.320 10.533 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.030 7.533 10.620 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.581 8.917 11.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.970 8.890 9.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.068 10.008 9.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.033 8.412 8.745 1.00 0.00 H new ATOM 108 N PRO A 7 7.329 5.028 6.979 1.00 0.00 N ATOM 109 CA PRO A 7 7.379 3.575 6.839 1.00 0.00 C ATOM 110 C PRO A 7 6.523 2.902 7.913 1.00 0.00 C ATOM 111 O PRO A 7 6.745 3.100 9.111 1.00 0.00 O ATOM 112 CB PRO A 7 8.858 3.245 7.052 1.00 0.00 C ATOM 113 CG PRO A 7 9.578 4.499 6.711 1.00 0.00 C ATOM 114 CD PRO A 7 8.672 5.612 7.142 1.00 0.00 C ATOM 0 HA PRO A 7 6.997 3.228 5.879 1.00 0.00 H new ATOM 0 HB2 PRO A 7 9.052 2.945 8.082 1.00 0.00 H new ATOM 0 HB3 PRO A 7 9.175 2.420 6.414 1.00 0.00 H new ATOM 0 HG2 PRO A 7 10.537 4.553 7.225 1.00 0.00 H new ATOM 0 HG3 PRO A 7 9.786 4.554 5.642 1.00 0.00 H new ATOM 0 HD2 PRO A 7 8.860 5.909 8.174 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.803 6.501 6.525 1.00 0.00 H new ATOM 122 N GLY A 8 5.552 2.138 7.483 1.00 0.00 N ATOM 123 CA GLY A 8 4.671 1.488 8.396 1.00 0.00 C ATOM 124 C GLY A 8 3.231 1.950 8.278 1.00 0.00 C ATOM 125 O GLY A 8 2.320 1.184 8.629 1.00 0.00 O ATOM 0 H GLY A 8 5.357 1.955 6.499 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.714 0.412 8.227 1.00 0.00 H new ATOM 0 HA3 GLY A 8 5.019 1.665 9.414 1.00 0.00 H new ATOM 129 N ASP A 9 3.005 3.175 7.766 1.00 0.00 N ATOM 130 CA ASP A 9 1.626 3.708 7.634 1.00 0.00 C ATOM 131 C ASP A 9 0.789 2.874 6.674 1.00 0.00 C ATOM 132 O ASP A 9 1.261 2.450 5.598 1.00 0.00 O ATOM 133 CB ASP A 9 1.550 5.198 7.179 1.00 0.00 C ATOM 134 CG ASP A 9 2.005 6.239 8.204 1.00 0.00 C ATOM 135 OD1 ASP A 9 1.342 6.432 9.244 1.00 0.00 O ATOM 136 OD2 ASP A 9 2.994 6.934 7.943 1.00 0.00 O ATOM 0 H ASP A 9 3.738 3.806 7.442 1.00 0.00 H new ATOM 0 HA ASP A 9 1.225 3.649 8.646 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.156 5.314 6.280 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.520 5.419 6.899 1.00 0.00 H new ATOM 141 N LEU A 10 -0.437 2.628 7.064 1.00 0.00 N ATOM 142 CA LEU A 10 -1.387 1.916 6.250 1.00 0.00 C ATOM 143 C LEU A 10 -2.121 2.923 5.420 1.00 0.00 C ATOM 144 O LEU A 10 -2.685 3.891 5.966 1.00 0.00 O ATOM 145 CB LEU A 10 -2.376 1.158 7.129 1.00 0.00 C ATOM 146 CG LEU A 10 -1.795 0.058 8.003 1.00 0.00 C ATOM 147 CD1 LEU A 10 -2.891 -0.566 8.849 1.00 0.00 C ATOM 148 CD2 LEU A 10 -1.119 -0.994 7.137 1.00 0.00 C ATOM 0 H LEU A 10 -0.807 2.921 7.968 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.871 1.194 5.617 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.881 1.877 7.774 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.138 0.717 6.486 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.047 0.488 8.669 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.466 -1.353 9.472 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.339 0.198 9.485 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.655 -0.991 8.198 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.706 -1.778 7.772 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.850 -1.428 6.454 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.316 -0.532 6.563 1.00 0.00 H new ATOM 160 N ILE A 11 -2.144 2.730 4.131 1.00 0.00 N ATOM 161 CA ILE A 11 -2.724 3.708 3.253 1.00 0.00 C ATOM 162 C ILE A 11 -3.485 3.085 2.094 1.00 0.00 C ATOM 163 O ILE A 11 -3.690 1.876 2.020 1.00 0.00 O ATOM 164 CB ILE A 11 -1.627 4.715 2.706 1.00 0.00 C ATOM 165 CG1 ILE A 11 -0.407 4.000 2.084 1.00 0.00 C ATOM 166 CG2 ILE A 11 -1.160 5.665 3.783 1.00 0.00 C ATOM 167 CD1 ILE A 11 -0.597 3.423 0.700 1.00 0.00 C ATOM 0 H ILE A 11 -1.768 1.904 3.665 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.445 4.261 3.855 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.119 5.281 1.915 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.421 4.708 2.048 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.108 3.193 2.752 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.409 6.340 3.372 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.007 6.245 4.149 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.726 5.097 4.606 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.328 2.948 0.374 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.397 2.683 0.721 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.860 4.221 0.006 1.00 0.00 H new ATOM 179 N PHE A 12 -3.925 3.933 1.242 1.00 0.00 N ATOM 180 CA PHE A 12 -4.485 3.580 -0.007 1.00 0.00 C ATOM 181 C PHE A 12 -3.595 4.125 -1.063 1.00 0.00 C ATOM 182 O PHE A 12 -3.201 5.290 -1.018 1.00 0.00 O ATOM 183 CB PHE A 12 -5.928 4.050 -0.166 1.00 0.00 C ATOM 184 CG PHE A 12 -6.904 3.132 0.495 1.00 0.00 C ATOM 185 CD1 PHE A 12 -7.117 3.185 1.852 1.00 0.00 C ATOM 186 CD2 PHE A 12 -7.584 2.186 -0.248 1.00 0.00 C ATOM 187 CE1 PHE A 12 -7.995 2.318 2.460 1.00 0.00 C ATOM 188 CE2 PHE A 12 -8.458 1.313 0.351 1.00 0.00 C ATOM 189 CZ PHE A 12 -8.666 1.378 1.709 1.00 0.00 C ATOM 0 H PHE A 12 -3.903 4.940 1.404 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.544 2.495 -0.087 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.030 5.049 0.257 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -6.167 4.127 -1.227 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.589 3.915 2.447 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.426 2.133 -1.315 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.158 2.374 3.526 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.981 0.577 -0.242 1.00 0.00 H new ATOM 0 HZ PHE A 12 -9.353 0.694 2.185 1.00 0.00 H new ATOM 199 N ALA A 13 -3.256 3.288 -1.963 1.00 0.00 N ATOM 200 CA ALA A 13 -2.315 3.564 -2.973 1.00 0.00 C ATOM 201 C ALA A 13 -3.016 3.726 -4.269 1.00 0.00 C ATOM 202 O ALA A 13 -3.623 2.802 -4.793 1.00 0.00 O ATOM 203 CB ALA A 13 -1.350 2.421 -3.046 1.00 0.00 C ATOM 0 H ALA A 13 -3.645 2.347 -2.018 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.776 4.485 -2.750 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.612 2.617 -3.824 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.845 2.310 -2.087 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.890 1.504 -3.281 1.00 0.00 H new ATOM 209 N LYS A 14 -2.950 4.891 -4.755 1.00 0.00 N ATOM 210 CA LYS A 14 -3.568 5.258 -5.954 1.00 0.00 C ATOM 211 C LYS A 14 -2.524 5.351 -7.057 1.00 0.00 C ATOM 212 O LYS A 14 -1.513 6.042 -6.922 1.00 0.00 O ATOM 213 CB LYS A 14 -4.308 6.576 -5.679 1.00 0.00 C ATOM 214 CG LYS A 14 -4.966 7.216 -6.856 1.00 0.00 C ATOM 215 CD LYS A 14 -3.950 7.921 -7.700 1.00 0.00 C ATOM 216 CE LYS A 14 -3.479 9.241 -7.067 1.00 0.00 C ATOM 217 NZ LYS A 14 -2.249 9.806 -7.713 1.00 0.00 N ATOM 0 H LYS A 14 -2.440 5.653 -4.308 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.293 4.522 -6.303 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.068 6.391 -4.919 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.598 7.286 -5.254 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.480 6.460 -7.449 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.722 7.924 -6.518 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.091 7.267 -7.853 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.375 8.124 -8.683 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.283 9.974 -7.132 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.281 9.077 -6.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.176 10.820 -7.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.409 9.311 -7.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.309 9.679 -8.744 1.00 0.00 H new ATOM 231 N MET A 15 -2.792 4.681 -8.144 1.00 0.00 N ATOM 232 CA MET A 15 -1.916 4.683 -9.289 1.00 0.00 C ATOM 233 C MET A 15 -2.622 5.369 -10.433 1.00 0.00 C ATOM 234 O MET A 15 -3.842 5.487 -10.422 1.00 0.00 O ATOM 235 CB MET A 15 -1.485 3.271 -9.702 1.00 0.00 C ATOM 236 CG MET A 15 -0.700 2.507 -8.647 1.00 0.00 C ATOM 237 SD MET A 15 0.052 1.005 -9.300 1.00 0.00 S ATOM 238 CE MET A 15 -1.397 0.089 -9.823 1.00 0.00 C ATOM 0 H MET A 15 -3.631 4.113 -8.264 1.00 0.00 H new ATOM 0 HA MET A 15 -1.006 5.219 -9.022 1.00 0.00 H new ATOM 0 HB2 MET A 15 -2.375 2.696 -9.959 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.879 3.341 -10.605 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.079 3.152 -8.240 1.00 0.00 H new ATOM 0 HG3 MET A 15 -1.363 2.248 -7.822 1.00 0.00 H new ATOM 0 HE1 MET A 15 -1.301 -0.952 -9.514 1.00 0.00 H new ATOM 0 HE2 MET A 15 -2.286 0.523 -9.365 1.00 0.00 H new ATOM 0 HE3 MET A 15 -1.487 0.138 -10.908 1.00 0.00 H new ATOM 248 N LYS A 16 -1.876 5.856 -11.391 1.00 0.00 N ATOM 249 CA LYS A 16 -2.476 6.556 -12.511 1.00 0.00 C ATOM 250 C LYS A 16 -3.233 5.570 -13.393 1.00 0.00 C ATOM 251 O LYS A 16 -2.640 4.665 -13.961 1.00 0.00 O ATOM 252 CB LYS A 16 -1.399 7.287 -13.332 1.00 0.00 C ATOM 253 CG LYS A 16 -1.943 8.056 -14.536 1.00 0.00 C ATOM 254 CD LYS A 16 -0.825 8.709 -15.332 1.00 0.00 C ATOM 255 CE LYS A 16 -1.367 9.440 -16.554 1.00 0.00 C ATOM 256 NZ LYS A 16 -0.280 10.066 -17.355 1.00 0.00 N ATOM 0 H LYS A 16 -0.859 5.785 -11.424 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.175 7.298 -12.125 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.871 7.982 -12.680 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.667 6.558 -13.681 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.501 7.377 -15.181 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.642 8.820 -14.195 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.285 9.411 -14.696 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.110 7.950 -15.648 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.921 8.740 -17.179 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.071 10.208 -16.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.691 10.553 -18.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.233 10.753 -16.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.378 9.330 -17.682 1.00 0.00 H new ATOM 270 N GLY A 17 -4.537 5.758 -13.483 1.00 0.00 N ATOM 271 CA GLY A 17 -5.362 4.901 -14.309 1.00 0.00 C ATOM 272 C GLY A 17 -5.962 3.760 -13.518 1.00 0.00 C ATOM 273 O GLY A 17 -6.700 2.942 -14.055 1.00 0.00 O ATOM 0 H GLY A 17 -5.045 6.495 -12.995 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.161 5.491 -14.758 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.763 4.500 -15.127 1.00 0.00 H new ATOM 277 N TYR A 18 -5.658 3.717 -12.238 1.00 0.00 N ATOM 278 CA TYR A 18 -6.124 2.659 -11.381 1.00 0.00 C ATOM 279 C TYR A 18 -6.759 3.245 -10.131 1.00 0.00 C ATOM 280 O TYR A 18 -6.422 4.361 -9.725 1.00 0.00 O ATOM 281 CB TYR A 18 -4.963 1.719 -11.002 1.00 0.00 C ATOM 282 CG TYR A 18 -4.340 0.992 -12.179 1.00 0.00 C ATOM 283 CD1 TYR A 18 -4.915 -0.165 -12.685 1.00 0.00 C ATOM 284 CD2 TYR A 18 -3.184 1.468 -12.787 1.00 0.00 C ATOM 285 CE1 TYR A 18 -4.358 -0.826 -13.759 1.00 0.00 C ATOM 286 CE2 TYR A 18 -2.623 0.813 -13.862 1.00 0.00 C ATOM 287 CZ TYR A 18 -3.212 -0.333 -14.342 1.00 0.00 C ATOM 288 OH TYR A 18 -2.659 -0.982 -15.415 1.00 0.00 O ATOM 0 H TYR A 18 -5.082 4.415 -11.768 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.873 2.078 -11.919 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.190 2.300 -10.498 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.326 0.982 -10.286 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -5.814 -0.554 -12.230 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.718 2.366 -12.411 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.818 -1.725 -14.141 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -1.726 1.198 -14.325 1.00 0.00 H new ATOM 0 HH TYR A 18 -1.855 -0.504 -15.708 1.00 0.00 H new ATOM 298 N PRO A 19 -7.715 2.526 -9.519 1.00 0.00 N ATOM 299 CA PRO A 19 -8.358 2.969 -8.289 1.00 0.00 C ATOM 300 C PRO A 19 -7.401 2.939 -7.092 1.00 0.00 C ATOM 301 O PRO A 19 -6.285 2.412 -7.175 1.00 0.00 O ATOM 302 CB PRO A 19 -9.492 1.953 -8.086 1.00 0.00 C ATOM 303 CG PRO A 19 -9.046 0.736 -8.812 1.00 0.00 C ATOM 304 CD PRO A 19 -8.255 1.230 -9.988 1.00 0.00 C ATOM 0 HA PRO A 19 -8.701 4.001 -8.361 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -9.653 1.746 -7.028 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.435 2.328 -8.484 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.437 0.099 -8.171 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.899 0.140 -9.137 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.458 0.536 -10.256 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.882 1.352 -10.871 1.00 0.00 H new ATOM 312 N HIS A 20 -7.850 3.509 -5.997 1.00 0.00 N ATOM 313 CA HIS A 20 -7.086 3.544 -4.764 1.00 0.00 C ATOM 314 C HIS A 20 -7.060 2.113 -4.165 1.00 0.00 C ATOM 315 O HIS A 20 -8.105 1.589 -3.791 1.00 0.00 O ATOM 316 CB HIS A 20 -7.775 4.491 -3.755 1.00 0.00 C ATOM 317 CG HIS A 20 -7.749 5.963 -4.095 1.00 0.00 C ATOM 318 ND1 HIS A 20 -8.459 6.552 -5.131 1.00 0.00 N ATOM 319 CD2 HIS A 20 -7.078 6.970 -3.497 1.00 0.00 C ATOM 320 CE1 HIS A 20 -8.185 7.865 -5.121 1.00 0.00 C ATOM 321 NE2 HIS A 20 -7.356 8.166 -4.153 1.00 0.00 N ATOM 0 H HIS A 20 -8.760 3.965 -5.933 1.00 0.00 H new ATOM 0 HA HIS A 20 -6.074 3.897 -4.964 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.815 4.182 -3.651 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -7.303 4.356 -2.782 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -6.426 6.864 -2.642 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -8.594 8.580 -5.819 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -6.988 9.090 -3.926 1.00 0.00 H new ATOM 329 N TRP A 21 -5.902 1.503 -4.108 1.00 0.00 N ATOM 330 CA TRP A 21 -5.745 0.128 -3.635 1.00 0.00 C ATOM 331 C TRP A 21 -5.224 0.140 -2.193 1.00 0.00 C ATOM 332 O TRP A 21 -4.343 0.917 -1.885 1.00 0.00 O ATOM 333 CB TRP A 21 -4.712 -0.581 -4.535 1.00 0.00 C ATOM 334 CG TRP A 21 -4.633 -2.071 -4.364 1.00 0.00 C ATOM 335 CD1 TRP A 21 -4.102 -2.775 -3.318 1.00 0.00 C ATOM 336 CD2 TRP A 21 -5.076 -3.041 -5.299 1.00 0.00 C ATOM 337 NE1 TRP A 21 -4.235 -4.117 -3.545 1.00 0.00 N ATOM 338 CE2 TRP A 21 -4.815 -4.303 -4.747 1.00 0.00 C ATOM 339 CE3 TRP A 21 -5.681 -2.965 -6.546 1.00 0.00 C ATOM 340 CZ2 TRP A 21 -5.135 -5.466 -5.392 1.00 0.00 C ATOM 341 CZ3 TRP A 21 -5.997 -4.130 -7.191 1.00 0.00 C ATOM 342 CH2 TRP A 21 -5.723 -5.375 -6.606 1.00 0.00 C ATOM 0 H TRP A 21 -5.025 1.942 -4.389 1.00 0.00 H new ATOM 0 HA TRP A 21 -6.703 -0.391 -3.671 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -4.950 -0.363 -5.576 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -3.728 -0.156 -4.337 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -3.646 -2.336 -2.443 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.942 -4.858 -2.907 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -5.898 -2.008 -6.997 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.925 -6.427 -4.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -6.464 -4.090 -8.164 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -5.987 -6.278 -7.136 1.00 0.00 H new ATOM 353 N PRO A 22 -5.753 -0.697 -1.294 1.00 0.00 N ATOM 354 CA PRO A 22 -5.260 -0.767 0.089 1.00 0.00 C ATOM 355 C PRO A 22 -3.805 -1.277 0.125 1.00 0.00 C ATOM 356 O PRO A 22 -3.515 -2.411 -0.285 1.00 0.00 O ATOM 357 CB PRO A 22 -6.208 -1.776 0.760 1.00 0.00 C ATOM 358 CG PRO A 22 -6.812 -2.555 -0.364 1.00 0.00 C ATOM 359 CD PRO A 22 -6.855 -1.635 -1.548 1.00 0.00 C ATOM 0 HA PRO A 22 -5.252 0.203 0.586 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.667 -2.429 1.445 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.975 -1.267 1.343 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.218 -3.442 -0.584 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -7.813 -2.898 -0.103 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -6.713 -2.177 -2.483 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.812 -1.119 -1.621 1.00 0.00 H new ATOM 367 N ALA A 23 -2.903 -0.457 0.612 1.00 0.00 N ATOM 368 CA ALA A 23 -1.515 -0.782 0.585 1.00 0.00 C ATOM 369 C ALA A 23 -0.796 -0.222 1.799 1.00 0.00 C ATOM 370 O ALA A 23 -1.342 0.578 2.547 1.00 0.00 O ATOM 371 CB ALA A 23 -0.907 -0.248 -0.682 1.00 0.00 C ATOM 0 H ALA A 23 -3.119 0.446 1.033 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.406 -1.866 0.612 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.155 -0.494 -0.708 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.404 -0.697 -1.542 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.030 0.835 -0.716 1.00 0.00 H new ATOM 377 N ARG A 24 0.397 -0.666 2.013 1.00 0.00 N ATOM 378 CA ARG A 24 1.181 -0.200 3.130 1.00 0.00 C ATOM 379 C ARG A 24 2.399 0.541 2.621 1.00 0.00 C ATOM 380 O ARG A 24 2.952 0.176 1.573 1.00 0.00 O ATOM 381 CB ARG A 24 1.648 -1.395 3.969 1.00 0.00 C ATOM 382 CG ARG A 24 2.421 -1.022 5.227 1.00 0.00 C ATOM 383 CD ARG A 24 3.012 -2.244 5.904 1.00 0.00 C ATOM 384 NE ARG A 24 3.702 -1.892 7.152 1.00 0.00 N ATOM 385 CZ ARG A 24 5.024 -2.052 7.376 1.00 0.00 C ATOM 386 NH1 ARG A 24 5.836 -2.467 6.411 1.00 0.00 N ATOM 387 NH2 ARG A 24 5.534 -1.772 8.571 1.00 0.00 N ATOM 0 H ARG A 24 0.863 -1.359 1.427 1.00 0.00 H new ATOM 0 HA ARG A 24 0.569 0.464 3.740 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.777 -1.984 4.255 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.276 -2.035 3.349 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.220 -0.326 4.971 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.759 -0.505 5.922 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.220 -2.962 6.116 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.712 -2.733 5.226 1.00 0.00 H new ATOM 0 HE ARG A 24 3.140 -1.497 7.906 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.464 -2.670 5.483 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.832 -2.583 6.597 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.927 -1.436 9.319 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.533 -1.893 8.740 1.00 0.00 H new ATOM 401 N VAL A 25 2.787 1.592 3.322 1.00 0.00 N ATOM 402 CA VAL A 25 4.060 2.224 3.066 1.00 0.00 C ATOM 403 C VAL A 25 5.065 1.337 3.759 1.00 0.00 C ATOM 404 O VAL A 25 5.024 1.199 4.983 1.00 0.00 O ATOM 405 CB VAL A 25 4.150 3.658 3.657 1.00 0.00 C ATOM 406 CG1 VAL A 25 5.515 4.275 3.362 1.00 0.00 C ATOM 407 CG2 VAL A 25 3.047 4.538 3.102 1.00 0.00 C ATOM 0 H VAL A 25 2.239 2.021 4.068 1.00 0.00 H new ATOM 0 HA VAL A 25 4.226 2.332 1.994 1.00 0.00 H new ATOM 0 HB VAL A 25 4.025 3.587 4.738 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.559 5.279 3.784 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.296 3.660 3.808 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.665 4.327 2.284 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.129 5.537 3.529 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.140 4.598 2.018 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.077 4.112 3.359 1.00 0.00 H new ATOM 417 N ASP A 26 5.909 0.710 3.011 1.00 0.00 N ATOM 418 CA ASP A 26 6.779 -0.297 3.583 1.00 0.00 C ATOM 419 C ASP A 26 8.103 0.326 4.053 1.00 0.00 C ATOM 420 O ASP A 26 8.289 1.549 3.941 1.00 0.00 O ATOM 421 CB ASP A 26 6.983 -1.448 2.589 1.00 0.00 C ATOM 422 CG ASP A 26 7.353 -2.730 3.287 1.00 0.00 C ATOM 423 OD1 ASP A 26 6.465 -3.352 3.932 1.00 0.00 O ATOM 424 OD2 ASP A 26 8.510 -3.133 3.258 1.00 0.00 O ATOM 0 H ASP A 26 6.025 0.865 2.010 1.00 0.00 H new ATOM 0 HA ASP A 26 6.305 -0.719 4.470 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.069 -1.598 2.014 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.766 -1.181 1.879 1.00 0.00 H new ATOM 429 N GLU A 27 8.999 -0.474 4.588 1.00 0.00 N ATOM 430 CA GLU A 27 10.229 0.036 5.134 1.00 0.00 C ATOM 431 C GLU A 27 11.360 0.037 4.122 1.00 0.00 C ATOM 432 O GLU A 27 11.406 -0.770 3.199 1.00 0.00 O ATOM 433 CB GLU A 27 10.674 -0.719 6.409 1.00 0.00 C ATOM 434 CG GLU A 27 9.668 -0.707 7.561 1.00 0.00 C ATOM 435 CD GLU A 27 8.721 -1.897 7.586 1.00 0.00 C ATOM 436 OE1 GLU A 27 8.522 -2.567 6.555 1.00 0.00 O ATOM 437 OE2 GLU A 27 8.119 -2.161 8.633 1.00 0.00 O ATOM 0 H GLU A 27 8.894 -1.486 4.655 1.00 0.00 H new ATOM 0 HA GLU A 27 10.010 1.069 5.406 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.884 -1.755 6.143 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.609 -0.284 6.761 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.215 -0.674 8.503 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.079 0.208 7.502 1.00 0.00 H new ATOM 597 N LYS A 39 8.420 9.521 -4.313 1.00 0.00 N ATOM 598 CA LYS A 39 7.764 8.255 -4.224 1.00 0.00 C ATOM 599 C LYS A 39 8.200 7.598 -2.928 1.00 0.00 C ATOM 600 O LYS A 39 9.267 7.923 -2.388 1.00 0.00 O ATOM 601 CB LYS A 39 8.189 7.379 -5.395 1.00 0.00 C ATOM 602 CG LYS A 39 8.082 8.063 -6.753 1.00 0.00 C ATOM 603 CD LYS A 39 6.807 7.740 -7.544 1.00 0.00 C ATOM 604 CE LYS A 39 5.572 8.430 -6.984 1.00 0.00 C ATOM 605 NZ LYS A 39 4.339 8.075 -7.735 1.00 0.00 N ATOM 0 HA LYS A 39 6.682 8.384 -4.248 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.220 7.060 -5.241 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.574 6.479 -5.404 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.136 9.142 -6.605 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.946 7.780 -7.354 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.944 8.039 -8.583 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.647 6.662 -7.541 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.449 8.155 -5.936 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.716 9.510 -7.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.510 8.194 -7.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.246 8.697 -8.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.397 7.085 -8.050 1.00 0.00 H new ATOM 619 N LEU A 40 7.385 6.726 -2.457 1.00 0.00 N ATOM 620 CA LEU A 40 7.594 5.948 -1.247 1.00 0.00 C ATOM 621 C LEU A 40 7.379 4.482 -1.609 1.00 0.00 C ATOM 622 O LEU A 40 6.705 4.196 -2.610 1.00 0.00 O ATOM 623 CB LEU A 40 6.556 6.359 -0.176 1.00 0.00 C ATOM 624 CG LEU A 40 6.615 7.804 0.344 1.00 0.00 C ATOM 625 CD1 LEU A 40 5.407 8.087 1.201 1.00 0.00 C ATOM 626 CD2 LEU A 40 7.870 8.039 1.166 1.00 0.00 C ATOM 0 H LEU A 40 6.500 6.509 -2.915 1.00 0.00 H new ATOM 0 HA LEU A 40 8.596 6.116 -0.851 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.561 6.189 -0.588 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.667 5.689 0.676 1.00 0.00 H new ATOM 0 HG LEU A 40 6.630 8.472 -0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.453 9.113 1.567 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.502 7.954 0.609 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.392 7.400 2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.885 9.070 1.521 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.878 7.361 2.020 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.749 7.855 0.548 1.00 0.00 H new ATOM 638 N PRO A 41 7.969 3.538 -0.857 1.00 0.00 N ATOM 639 CA PRO A 41 7.764 2.108 -1.114 1.00 0.00 C ATOM 640 C PRO A 41 6.340 1.685 -0.722 1.00 0.00 C ATOM 641 O PRO A 41 5.920 1.859 0.425 1.00 0.00 O ATOM 642 CB PRO A 41 8.803 1.436 -0.199 1.00 0.00 C ATOM 643 CG PRO A 41 9.035 2.422 0.901 1.00 0.00 C ATOM 644 CD PRO A 41 8.871 3.780 0.290 1.00 0.00 C ATOM 0 HA PRO A 41 7.879 1.839 -2.164 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.433 0.488 0.191 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.725 1.221 -0.739 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.324 2.273 1.713 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.032 2.304 1.325 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.439 4.488 0.997 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.827 4.193 -0.032 1.00 0.00 H new ATOM 652 N ILE A 42 5.608 1.136 -1.661 1.00 0.00 N ATOM 653 CA ILE A 42 4.226 0.769 -1.428 1.00 0.00 C ATOM 654 C ILE A 42 4.020 -0.709 -1.698 1.00 0.00 C ATOM 655 O ILE A 42 4.318 -1.193 -2.776 1.00 0.00 O ATOM 656 CB ILE A 42 3.262 1.581 -2.343 1.00 0.00 C ATOM 657 CG1 ILE A 42 3.453 3.094 -2.160 1.00 0.00 C ATOM 658 CG2 ILE A 42 1.807 1.198 -2.098 1.00 0.00 C ATOM 659 CD1 ILE A 42 3.226 3.594 -0.752 1.00 0.00 C ATOM 0 H ILE A 42 5.946 0.931 -2.601 1.00 0.00 H new ATOM 0 HA ILE A 42 4.002 0.994 -0.385 1.00 0.00 H new ATOM 0 HB ILE A 42 3.513 1.329 -3.373 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.465 3.358 -2.466 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.771 3.616 -2.831 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.161 1.783 -2.753 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.670 0.137 -2.307 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.548 1.399 -1.059 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.383 4.672 -0.719 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.205 3.366 -0.445 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.926 3.104 -0.075 1.00 0.00 H new ATOM 671 N PHE A 43 3.511 -1.397 -0.734 1.00 0.00 N ATOM 672 CA PHE A 43 3.231 -2.810 -0.849 1.00 0.00 C ATOM 673 C PHE A 43 1.724 -3.003 -0.956 1.00 0.00 C ATOM 674 O PHE A 43 0.992 -2.642 -0.028 1.00 0.00 O ATOM 675 CB PHE A 43 3.789 -3.549 0.385 1.00 0.00 C ATOM 676 CG PHE A 43 3.531 -5.036 0.408 1.00 0.00 C ATOM 677 CD1 PHE A 43 4.380 -5.913 -0.243 1.00 0.00 C ATOM 678 CD2 PHE A 43 2.446 -5.552 1.099 1.00 0.00 C ATOM 679 CE1 PHE A 43 4.152 -7.273 -0.205 1.00 0.00 C ATOM 680 CE2 PHE A 43 2.211 -6.906 1.137 1.00 0.00 C ATOM 681 CZ PHE A 43 3.062 -7.770 0.489 1.00 0.00 C ATOM 0 H PHE A 43 3.270 -1.000 0.174 1.00 0.00 H new ATOM 0 HA PHE A 43 3.708 -3.219 -1.739 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.865 -3.381 0.435 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.356 -3.106 1.282 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.230 -5.529 -0.787 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.776 -4.881 1.615 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.822 -7.949 -0.716 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.358 -7.291 1.676 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.881 -8.834 0.521 1.00 0.00 H new ATOM 691 N PHE A 44 1.264 -3.524 -2.078 1.00 0.00 N ATOM 692 CA PHE A 44 -0.171 -3.758 -2.284 1.00 0.00 C ATOM 693 C PHE A 44 -0.622 -5.031 -1.577 1.00 0.00 C ATOM 694 O PHE A 44 0.005 -6.097 -1.714 1.00 0.00 O ATOM 695 CB PHE A 44 -0.543 -3.877 -3.771 1.00 0.00 C ATOM 696 CG PHE A 44 -0.329 -2.650 -4.619 1.00 0.00 C ATOM 697 CD1 PHE A 44 -1.042 -1.484 -4.385 1.00 0.00 C ATOM 698 CD2 PHE A 44 0.559 -2.674 -5.669 1.00 0.00 C ATOM 699 CE1 PHE A 44 -0.862 -0.378 -5.179 1.00 0.00 C ATOM 700 CE2 PHE A 44 0.735 -1.577 -6.465 1.00 0.00 C ATOM 701 CZ PHE A 44 0.026 -0.424 -6.221 1.00 0.00 C ATOM 0 H PHE A 44 1.854 -3.796 -2.865 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.678 -2.889 -1.865 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.034 -4.695 -4.203 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.594 -4.159 -3.838 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -1.748 -1.445 -3.568 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.125 -3.572 -5.867 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.419 0.526 -4.982 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.433 -1.616 -7.288 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.169 0.443 -6.849 1.00 0.00 H new ATOM 711 N PHE A 45 -1.705 -4.938 -0.849 1.00 0.00 N ATOM 712 CA PHE A 45 -2.239 -6.087 -0.154 1.00 0.00 C ATOM 713 C PHE A 45 -3.094 -6.939 -1.083 1.00 0.00 C ATOM 714 O PHE A 45 -3.546 -6.471 -2.126 1.00 0.00 O ATOM 715 CB PHE A 45 -3.038 -5.674 1.082 1.00 0.00 C ATOM 716 CG PHE A 45 -2.204 -5.081 2.174 1.00 0.00 C ATOM 717 CD1 PHE A 45 -1.304 -5.866 2.852 1.00 0.00 C ATOM 718 CD2 PHE A 45 -2.330 -3.758 2.531 1.00 0.00 C ATOM 719 CE1 PHE A 45 -0.538 -5.351 3.870 1.00 0.00 C ATOM 720 CE2 PHE A 45 -1.563 -3.232 3.553 1.00 0.00 C ATOM 721 CZ PHE A 45 -0.667 -4.034 4.223 1.00 0.00 C ATOM 0 H PHE A 45 -2.237 -4.078 -0.720 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.392 -6.686 0.180 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.798 -4.951 0.786 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.562 -6.547 1.472 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.196 -6.906 2.581 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.033 -3.126 2.009 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.165 -5.984 4.391 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.666 -2.192 3.826 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.068 -3.626 5.024 1.00 0.00 H new ATOM 731 N GLY A 46 -3.265 -8.196 -0.714 1.00 0.00 N ATOM 732 CA GLY A 46 -4.068 -9.172 -1.447 1.00 0.00 C ATOM 733 C GLY A 46 -3.418 -9.696 -2.712 1.00 0.00 C ATOM 734 O GLY A 46 -3.806 -10.769 -3.236 1.00 0.00 O ATOM 0 H GLY A 46 -2.838 -8.582 0.128 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.284 -10.014 -0.789 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.024 -8.716 -1.706 1.00 0.00 H new ATOM 738 N THR A 47 -2.465 -8.979 -3.226 1.00 0.00 N ATOM 739 CA THR A 47 -1.725 -9.441 -4.361 1.00 0.00 C ATOM 740 C THR A 47 -0.269 -9.569 -4.007 1.00 0.00 C ATOM 741 O THR A 47 0.449 -10.379 -4.586 1.00 0.00 O ATOM 742 CB THR A 47 -1.856 -8.437 -5.492 1.00 0.00 C ATOM 743 OG1 THR A 47 -1.523 -7.136 -4.983 1.00 0.00 O ATOM 744 CG2 THR A 47 -3.259 -8.402 -6.031 1.00 0.00 C ATOM 0 H THR A 47 -2.180 -8.065 -2.874 1.00 0.00 H new ATOM 0 HA THR A 47 -2.119 -10.411 -4.666 1.00 0.00 H new ATOM 0 HB THR A 47 -1.185 -8.729 -6.300 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.532 -6.486 -5.716 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.320 -7.673 -6.839 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.528 -9.388 -6.410 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.948 -8.119 -5.235 1.00 0.00 H new ATOM 752 N HIS A 48 0.138 -8.805 -2.981 1.00 0.00 N ATOM 753 CA HIS A 48 1.509 -8.774 -2.488 1.00 0.00 C ATOM 754 C HIS A 48 2.439 -8.141 -3.531 1.00 0.00 C ATOM 755 O HIS A 48 3.652 -8.340 -3.504 1.00 0.00 O ATOM 756 CB HIS A 48 1.996 -10.175 -2.018 1.00 0.00 C ATOM 757 CG HIS A 48 1.219 -10.737 -0.842 1.00 0.00 C ATOM 758 ND1 HIS A 48 1.484 -11.972 -0.275 1.00 0.00 N ATOM 759 CD2 HIS A 48 0.180 -10.222 -0.125 1.00 0.00 C ATOM 760 CE1 HIS A 48 0.641 -12.180 0.736 1.00 0.00 C ATOM 761 NE2 HIS A 48 -0.144 -11.137 0.839 1.00 0.00 N ATOM 0 H HIS A 48 -0.490 -8.186 -2.469 1.00 0.00 H new ATOM 0 HA HIS A 48 1.536 -8.143 -1.600 1.00 0.00 H new ATOM 0 HB2 HIS A 48 1.925 -10.872 -2.853 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.049 -10.110 -1.746 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -0.299 -9.268 -0.288 1.00 0.00 H new ATOM 0 HE1 HIS A 48 0.610 -13.059 1.363 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -0.884 -11.024 1.532 1.00 0.00 H new ATOM 770 N GLU A 49 1.837 -7.331 -4.413 1.00 0.00 N ATOM 771 CA GLU A 49 2.545 -6.575 -5.431 1.00 0.00 C ATOM 772 C GLU A 49 3.239 -5.399 -4.754 1.00 0.00 C ATOM 773 O GLU A 49 2.949 -5.076 -3.603 1.00 0.00 O ATOM 774 CB GLU A 49 1.546 -6.043 -6.476 1.00 0.00 C ATOM 775 CG GLU A 49 0.853 -7.108 -7.317 1.00 0.00 C ATOM 776 CD GLU A 49 -0.396 -6.572 -8.024 1.00 0.00 C ATOM 777 OE1 GLU A 49 -1.264 -5.993 -7.334 1.00 0.00 O ATOM 778 OE2 GLU A 49 -0.552 -6.740 -9.257 1.00 0.00 O ATOM 0 H GLU A 49 0.827 -7.187 -4.431 1.00 0.00 H new ATOM 0 HA GLU A 49 3.274 -7.213 -5.931 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.784 -5.458 -5.961 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.073 -5.362 -7.144 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.552 -7.492 -8.061 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.574 -7.947 -6.679 1.00 0.00 H new ATOM 785 N THR A 50 4.130 -4.764 -5.429 1.00 0.00 N ATOM 786 CA THR A 50 4.827 -3.648 -4.849 1.00 0.00 C ATOM 787 C THR A 50 4.927 -2.532 -5.877 1.00 0.00 C ATOM 788 O THR A 50 5.037 -2.795 -7.075 1.00 0.00 O ATOM 789 CB THR A 50 6.238 -4.063 -4.396 1.00 0.00 C ATOM 790 OG1 THR A 50 6.171 -5.345 -3.750 1.00 0.00 O ATOM 791 CG2 THR A 50 6.801 -3.058 -3.398 1.00 0.00 C ATOM 0 H THR A 50 4.401 -4.991 -6.386 1.00 0.00 H new ATOM 0 HA THR A 50 4.274 -3.301 -3.976 1.00 0.00 H new ATOM 0 HB THR A 50 6.882 -4.103 -5.274 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.068 -5.613 -3.461 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.799 -3.370 -3.091 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.856 -2.074 -3.864 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.151 -3.010 -2.524 1.00 0.00 H new ATOM 799 N ALA A 51 4.866 -1.322 -5.412 1.00 0.00 N ATOM 800 CA ALA A 51 4.935 -0.153 -6.249 1.00 0.00 C ATOM 801 C ALA A 51 5.628 0.959 -5.511 1.00 0.00 C ATOM 802 O ALA A 51 6.034 0.796 -4.358 1.00 0.00 O ATOM 803 CB ALA A 51 3.541 0.298 -6.618 1.00 0.00 C ATOM 0 H ALA A 51 4.765 -1.110 -4.419 1.00 0.00 H new ATOM 0 HA ALA A 51 5.492 -0.400 -7.153 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.601 1.183 -7.251 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.031 -0.500 -7.157 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.984 0.537 -5.712 1.00 0.00 H new ATOM 809 N PHE A 52 5.764 2.081 -6.171 1.00 0.00 N ATOM 810 CA PHE A 52 6.335 3.256 -5.584 1.00 0.00 C ATOM 811 C PHE A 52 5.442 4.433 -5.875 1.00 0.00 C ATOM 812 O PHE A 52 5.325 4.893 -7.023 1.00 0.00 O ATOM 813 CB PHE A 52 7.763 3.507 -6.088 1.00 0.00 C ATOM 814 CG PHE A 52 8.759 2.463 -5.639 1.00 0.00 C ATOM 815 CD1 PHE A 52 9.413 2.599 -4.426 1.00 0.00 C ATOM 816 CD2 PHE A 52 9.029 1.348 -6.418 1.00 0.00 C ATOM 817 CE1 PHE A 52 10.316 1.646 -3.999 1.00 0.00 C ATOM 818 CE2 PHE A 52 9.932 0.392 -5.995 1.00 0.00 C ATOM 819 CZ PHE A 52 10.576 0.542 -4.782 1.00 0.00 C ATOM 0 H PHE A 52 5.476 2.201 -7.142 1.00 0.00 H new ATOM 0 HA PHE A 52 6.406 3.112 -4.506 1.00 0.00 H new ATOM 0 HB2 PHE A 52 7.753 3.542 -7.177 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.094 4.486 -5.741 1.00 0.00 H new ATOM 0 HD1 PHE A 52 9.214 3.461 -3.806 1.00 0.00 H new ATOM 0 HD2 PHE A 52 8.527 1.226 -7.367 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.819 1.766 -3.051 1.00 0.00 H new ATOM 0 HE2 PHE A 52 10.134 -0.471 -6.612 1.00 0.00 H new ATOM 0 HZ PHE A 52 11.282 -0.204 -4.448 1.00 0.00 H new ATOM 829 N LEU A 53 4.799 4.902 -4.864 1.00 0.00 N ATOM 830 CA LEU A 53 3.887 6.005 -4.970 1.00 0.00 C ATOM 831 C LEU A 53 4.237 6.981 -3.916 1.00 0.00 C ATOM 832 O LEU A 53 4.735 6.595 -2.882 1.00 0.00 O ATOM 833 CB LEU A 53 2.447 5.556 -4.815 1.00 0.00 C ATOM 834 CG LEU A 53 1.935 4.560 -5.843 1.00 0.00 C ATOM 835 CD1 LEU A 53 0.561 4.118 -5.448 1.00 0.00 C ATOM 836 CD2 LEU A 53 1.901 5.192 -7.231 1.00 0.00 C ATOM 0 H LEU A 53 4.888 4.528 -3.919 1.00 0.00 H new ATOM 0 HA LEU A 53 3.973 6.455 -5.959 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.331 5.115 -3.825 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.809 6.439 -4.847 1.00 0.00 H new ATOM 0 HG LEU A 53 2.605 3.701 -5.877 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.184 3.403 -6.179 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.599 3.647 -4.466 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.102 4.982 -5.411 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.532 4.464 -7.953 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.241 6.059 -7.220 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.906 5.505 -7.513 1.00 0.00 H new ATOM 848 N GLY A 54 4.011 8.219 -4.168 1.00 0.00 N ATOM 849 CA GLY A 54 4.440 9.212 -3.252 1.00 0.00 C ATOM 850 C GLY A 54 3.367 9.607 -2.318 1.00 0.00 C ATOM 851 O GLY A 54 2.248 9.144 -2.451 1.00 0.00 O ATOM 0 H GLY A 54 3.533 8.568 -4.998 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.293 8.838 -2.686 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.782 10.089 -3.802 1.00 0.00 H new ATOM 855 N PRO A 55 3.664 10.515 -1.374 1.00 0.00 N ATOM 856 CA PRO A 55 2.679 11.011 -0.388 1.00 0.00 C ATOM 857 C PRO A 55 1.528 11.753 -1.060 1.00 0.00 C ATOM 858 O PRO A 55 0.555 12.122 -0.431 1.00 0.00 O ATOM 859 CB PRO A 55 3.506 11.986 0.474 1.00 0.00 C ATOM 860 CG PRO A 55 4.676 12.351 -0.367 1.00 0.00 C ATOM 861 CD PRO A 55 4.991 11.130 -1.169 1.00 0.00 C ATOM 0 HA PRO A 55 2.217 10.202 0.178 1.00 0.00 H new ATOM 0 HB2 PRO A 55 2.923 12.867 0.742 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.822 11.517 1.406 1.00 0.00 H new ATOM 0 HG2 PRO A 55 4.445 13.197 -1.015 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.525 12.645 0.250 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.470 11.381 -2.115 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.668 10.461 -0.637 1.00 0.00 H new ATOM 869 N LYS A 56 1.696 11.990 -2.333 1.00 0.00 N ATOM 870 CA LYS A 56 0.732 12.680 -3.135 1.00 0.00 C ATOM 871 C LYS A 56 -0.142 11.677 -3.923 1.00 0.00 C ATOM 872 O LYS A 56 -1.028 12.062 -4.691 1.00 0.00 O ATOM 873 CB LYS A 56 1.477 13.636 -4.072 1.00 0.00 C ATOM 874 CG LYS A 56 2.469 14.525 -3.322 1.00 0.00 C ATOM 875 CD LYS A 56 3.334 15.402 -4.237 1.00 0.00 C ATOM 876 CE LYS A 56 4.246 14.567 -5.139 1.00 0.00 C ATOM 877 NZ LYS A 56 5.237 15.407 -5.878 1.00 0.00 N ATOM 0 H LYS A 56 2.527 11.701 -2.849 1.00 0.00 H new ATOM 0 HA LYS A 56 0.058 13.254 -2.499 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.009 13.059 -4.829 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.756 14.262 -4.597 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.918 15.167 -2.634 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.121 13.895 -2.717 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.689 16.028 -4.854 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.941 16.072 -3.628 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.776 13.831 -4.534 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.638 14.013 -5.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.832 14.798 -6.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.733 16.093 -6.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.837 15.916 -5.198 1.00 0.00 H new ATOM 891 N ASP A 57 0.153 10.405 -3.760 1.00 0.00 N ATOM 892 CA ASP A 57 -0.577 9.333 -4.449 1.00 0.00 C ATOM 893 C ASP A 57 -1.309 8.476 -3.459 1.00 0.00 C ATOM 894 O ASP A 57 -2.092 7.606 -3.830 1.00 0.00 O ATOM 895 CB ASP A 57 0.373 8.403 -5.208 1.00 0.00 C ATOM 896 CG ASP A 57 1.047 8.993 -6.409 1.00 0.00 C ATOM 897 OD1 ASP A 57 0.336 9.287 -7.406 1.00 0.00 O ATOM 898 OD2 ASP A 57 2.327 9.098 -6.404 1.00 0.00 O ATOM 0 H ASP A 57 0.901 10.073 -3.151 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.264 9.822 -5.140 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.142 8.058 -4.517 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.187 7.524 -5.525 1.00 0.00 H new ATOM 903 N ILE A 58 -1.028 8.688 -2.221 1.00 0.00 N ATOM 904 CA ILE A 58 -1.541 7.863 -1.177 1.00 0.00 C ATOM 905 C ILE A 58 -2.374 8.652 -0.200 1.00 0.00 C ATOM 906 O ILE A 58 -2.176 9.849 -0.017 1.00 0.00 O ATOM 907 CB ILE A 58 -0.391 7.157 -0.446 1.00 0.00 C ATOM 908 CG1 ILE A 58 0.595 8.191 0.074 1.00 0.00 C ATOM 909 CG2 ILE A 58 0.302 6.182 -1.377 1.00 0.00 C ATOM 910 CD1 ILE A 58 1.854 7.616 0.634 1.00 0.00 C ATOM 0 H ILE A 58 -0.429 9.447 -1.898 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.189 7.115 -1.634 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.793 6.597 0.398 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.851 8.872 -0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.106 8.785 0.846 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.116 5.688 -0.846 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.414 5.435 -1.720 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.703 6.721 -2.235 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.499 8.423 0.981 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.614 6.958 1.469 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.369 7.047 -0.139 1.00 0.00 H new ATOM 922 N PHE A 59 -3.291 7.969 0.413 1.00 0.00 N ATOM 923 CA PHE A 59 -4.218 8.547 1.365 1.00 0.00 C ATOM 924 C PHE A 59 -4.364 7.570 2.509 1.00 0.00 C ATOM 925 O PHE A 59 -4.230 6.375 2.287 1.00 0.00 O ATOM 926 CB PHE A 59 -5.587 8.834 0.709 1.00 0.00 C ATOM 927 CG PHE A 59 -5.546 9.885 -0.379 1.00 0.00 C ATOM 928 CD1 PHE A 59 -5.306 9.537 -1.700 1.00 0.00 C ATOM 929 CD2 PHE A 59 -5.738 11.220 -0.071 1.00 0.00 C ATOM 930 CE1 PHE A 59 -5.257 10.498 -2.688 1.00 0.00 C ATOM 931 CE2 PHE A 59 -5.690 12.189 -1.056 1.00 0.00 C ATOM 932 CZ PHE A 59 -5.449 11.827 -2.366 1.00 0.00 C ATOM 0 H PHE A 59 -3.427 6.969 0.269 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.837 9.502 1.726 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.977 7.907 0.289 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.287 9.153 1.481 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.155 8.499 -1.958 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.928 11.509 0.952 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.069 10.212 -3.712 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.841 13.228 -0.801 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.411 12.582 -3.138 1.00 0.00 H new ATOM 942 N PRO A 60 -4.582 8.045 3.745 1.00 0.00 N ATOM 943 CA PRO A 60 -4.651 7.181 4.925 1.00 0.00 C ATOM 944 C PRO A 60 -5.717 6.105 4.853 1.00 0.00 C ATOM 945 O PRO A 60 -6.818 6.316 4.366 1.00 0.00 O ATOM 946 CB PRO A 60 -4.913 8.131 6.098 1.00 0.00 C ATOM 947 CG PRO A 60 -5.339 9.419 5.492 1.00 0.00 C ATOM 948 CD PRO A 60 -4.793 9.459 4.088 1.00 0.00 C ATOM 0 HA PRO A 60 -3.722 6.619 5.024 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.686 7.735 6.756 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.016 8.262 6.703 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -6.426 9.498 5.483 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.963 10.260 6.074 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.493 9.936 3.402 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.862 10.024 4.038 1.00 0.00 H new ATOM 956 N TYR A 61 -5.362 4.936 5.323 1.00 0.00 N ATOM 957 CA TYR A 61 -6.272 3.823 5.385 1.00 0.00 C ATOM 958 C TYR A 61 -7.412 4.092 6.347 1.00 0.00 C ATOM 959 O TYR A 61 -8.534 3.717 6.078 1.00 0.00 O ATOM 960 CB TYR A 61 -5.507 2.551 5.765 1.00 0.00 C ATOM 961 CG TYR A 61 -6.339 1.445 6.348 1.00 0.00 C ATOM 962 CD1 TYR A 61 -7.169 0.664 5.559 1.00 0.00 C ATOM 963 CD2 TYR A 61 -6.286 1.187 7.707 1.00 0.00 C ATOM 964 CE1 TYR A 61 -7.926 -0.337 6.113 1.00 0.00 C ATOM 965 CE2 TYR A 61 -7.031 0.191 8.264 1.00 0.00 C ATOM 966 CZ TYR A 61 -7.846 -0.565 7.475 1.00 0.00 C ATOM 967 OH TYR A 61 -8.581 -1.539 8.041 1.00 0.00 O ATOM 0 H TYR A 61 -4.427 4.730 5.675 1.00 0.00 H new ATOM 0 HA TYR A 61 -6.717 3.681 4.400 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.002 2.172 4.876 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -4.731 2.816 6.483 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.220 0.846 4.496 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.644 1.785 8.336 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.575 -0.939 5.494 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.976 0.001 9.326 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.590 -2.324 7.455 1.00 0.00 H new ATOM 977 N SER A 62 -7.109 4.784 7.426 1.00 0.00 N ATOM 978 CA SER A 62 -8.047 5.047 8.493 1.00 0.00 C ATOM 979 C SER A 62 -9.404 5.582 7.984 1.00 0.00 C ATOM 980 O SER A 62 -10.441 4.963 8.230 1.00 0.00 O ATOM 981 CB SER A 62 -7.394 6.004 9.465 1.00 0.00 C ATOM 982 OG SER A 62 -6.086 5.536 9.788 1.00 0.00 O ATOM 0 H SER A 62 -6.186 5.186 7.587 1.00 0.00 H new ATOM 0 HA SER A 62 -8.286 4.109 8.994 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.337 7.001 9.028 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.996 6.087 10.370 1.00 0.00 H new ATOM 0 HG SER A 62 -5.662 6.157 10.417 1.00 0.00 H new ATOM 988 N GLU A 63 -9.411 6.684 7.252 1.00 0.00 N ATOM 989 CA GLU A 63 -10.657 7.181 6.751 1.00 0.00 C ATOM 990 C GLU A 63 -10.990 6.757 5.335 1.00 0.00 C ATOM 991 O GLU A 63 -12.123 6.933 4.864 1.00 0.00 O ATOM 992 CB GLU A 63 -10.833 8.645 6.960 1.00 0.00 C ATOM 993 CG GLU A 63 -9.632 9.460 6.853 1.00 0.00 C ATOM 994 CD GLU A 63 -9.077 9.406 5.493 1.00 0.00 C ATOM 995 OE1 GLU A 63 -9.589 10.105 4.592 1.00 0.00 O ATOM 996 OE2 GLU A 63 -8.212 8.569 5.277 1.00 0.00 O ATOM 0 H GLU A 63 -8.586 7.230 7.003 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.401 6.683 7.372 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.560 9.009 6.234 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.265 8.800 7.949 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.865 10.492 7.114 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.887 9.111 7.568 1.00 0.00 H new ATOM 1003 N ASN A 64 -10.023 6.249 4.622 1.00 0.00 N ATOM 1004 CA ASN A 64 -10.274 5.803 3.256 1.00 0.00 C ATOM 1005 C ASN A 64 -10.716 4.373 3.188 1.00 0.00 C ATOM 1006 O ASN A 64 -11.149 3.921 2.133 1.00 0.00 O ATOM 1007 CB ASN A 64 -9.082 6.039 2.327 1.00 0.00 C ATOM 1008 CG ASN A 64 -8.961 7.475 1.866 1.00 0.00 C ATOM 1009 OD1 ASN A 64 -9.441 7.824 0.819 1.00 0.00 O ATOM 1010 ND2 ASN A 64 -8.447 8.328 2.676 1.00 0.00 N ATOM 0 H ASN A 64 -9.063 6.129 4.947 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.097 6.423 2.900 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.166 5.751 2.842 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.175 5.391 1.455 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -8.441 9.319 2.436 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -8.045 8.014 3.559 1.00 0.00 H new ATOM 1017 N LYS A 65 -10.663 3.668 4.317 1.00 0.00 N ATOM 1018 CA LYS A 65 -11.006 2.250 4.349 1.00 0.00 C ATOM 1019 C LYS A 65 -12.441 2.020 3.914 1.00 0.00 C ATOM 1020 O LYS A 65 -12.749 1.052 3.273 1.00 0.00 O ATOM 1021 CB LYS A 65 -10.758 1.610 5.730 1.00 0.00 C ATOM 1022 CG LYS A 65 -11.826 1.893 6.777 1.00 0.00 C ATOM 1023 CD LYS A 65 -11.574 1.197 8.118 1.00 0.00 C ATOM 1024 CE LYS A 65 -11.378 -0.329 7.999 1.00 0.00 C ATOM 1025 NZ LYS A 65 -12.449 -1.039 7.250 1.00 0.00 N ATOM 0 H LYS A 65 -10.386 4.056 5.219 1.00 0.00 H new ATOM 0 HA LYS A 65 -10.340 1.760 3.639 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.674 0.531 5.603 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.798 1.962 6.109 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.885 2.969 6.942 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -12.795 1.576 6.390 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.689 1.633 8.583 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.414 1.395 8.784 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.423 -0.521 7.510 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -11.313 -0.752 9.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.478 -2.035 7.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -13.367 -0.591 7.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -12.252 -0.987 6.230 1.00 0.00 H new ATOM 1039 N GLU A 66 -13.322 2.891 4.301 1.00 0.00 N ATOM 1040 CA GLU A 66 -14.679 2.754 3.876 1.00 0.00 C ATOM 1041 C GLU A 66 -14.904 3.303 2.523 1.00 0.00 C ATOM 1042 O GLU A 66 -15.679 2.755 1.750 1.00 0.00 O ATOM 1043 CB GLU A 66 -15.647 3.297 4.872 1.00 0.00 C ATOM 1044 CG GLU A 66 -15.541 2.577 6.175 1.00 0.00 C ATOM 1045 CD GLU A 66 -15.496 1.042 5.990 1.00 0.00 C ATOM 1046 OE1 GLU A 66 -16.232 0.509 5.105 1.00 0.00 O ATOM 1047 OE2 GLU A 66 -14.684 0.374 6.674 1.00 0.00 O ATOM 0 H GLU A 66 -13.129 3.693 4.902 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.870 1.683 3.812 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.459 4.360 5.024 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.662 3.206 4.484 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.643 2.905 6.698 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.391 2.841 6.805 1.00 0.00 H new ATOM 1054 N LYS A 67 -14.181 4.344 2.233 1.00 0.00 N ATOM 1055 CA LYS A 67 -14.327 5.062 0.986 1.00 0.00 C ATOM 1056 C LYS A 67 -13.880 4.225 -0.192 1.00 0.00 C ATOM 1057 O LYS A 67 -14.653 3.943 -1.092 1.00 0.00 O ATOM 1058 CB LYS A 67 -13.551 6.389 1.003 1.00 0.00 C ATOM 1059 CG LYS A 67 -13.941 7.325 2.132 1.00 0.00 C ATOM 1060 CD LYS A 67 -13.612 8.789 1.775 1.00 0.00 C ATOM 1061 CE LYS A 67 -12.122 9.100 1.811 1.00 0.00 C ATOM 1062 NZ LYS A 67 -11.592 9.139 3.199 1.00 0.00 N ATOM 0 H LYS A 67 -13.468 4.727 2.853 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.389 5.282 0.875 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.485 6.172 1.078 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.707 6.900 0.053 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -15.007 7.228 2.338 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.413 7.042 3.043 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.997 9.008 0.779 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -14.130 9.450 2.470 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.581 8.347 1.238 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.941 10.060 1.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.596 9.437 3.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.146 9.815 3.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.663 8.193 3.625 1.00 0.00 H new ATOM 1076 N TYR A 68 -12.643 3.813 -0.165 1.00 0.00 N ATOM 1077 CA TYR A 68 -12.083 3.086 -1.283 1.00 0.00 C ATOM 1078 C TYR A 68 -11.805 1.658 -0.924 1.00 0.00 C ATOM 1079 O TYR A 68 -11.390 0.860 -1.751 1.00 0.00 O ATOM 1080 CB TYR A 68 -10.838 3.786 -1.808 1.00 0.00 C ATOM 1081 CG TYR A 68 -11.125 5.207 -2.214 1.00 0.00 C ATOM 1082 CD1 TYR A 68 -11.751 5.490 -3.415 1.00 0.00 C ATOM 1083 CD2 TYR A 68 -10.802 6.260 -1.381 1.00 0.00 C ATOM 1084 CE1 TYR A 68 -12.046 6.793 -3.772 1.00 0.00 C ATOM 1085 CE2 TYR A 68 -11.087 7.560 -1.727 1.00 0.00 C ATOM 1086 CZ TYR A 68 -11.712 7.824 -2.919 1.00 0.00 C ATOM 1087 OH TYR A 68 -12.006 9.118 -3.260 1.00 0.00 O ATOM 0 H TYR A 68 -12.001 3.965 0.613 1.00 0.00 H new ATOM 0 HA TYR A 68 -12.822 3.074 -2.084 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -10.065 3.777 -1.040 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -10.445 3.236 -2.663 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -12.013 4.682 -4.083 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -10.315 6.058 -0.438 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -12.535 7.002 -4.712 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.820 8.369 -1.063 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.704 9.720 -2.548 1.00 0.00 H new ATOM 1097 N GLY A 69 -12.069 1.329 0.308 1.00 0.00 N ATOM 1098 CA GLY A 69 -11.889 -0.013 0.766 1.00 0.00 C ATOM 1099 C GLY A 69 -13.163 -0.795 0.600 1.00 0.00 C ATOM 1100 O GLY A 69 -13.720 -1.317 1.564 1.00 0.00 O ATOM 0 H GLY A 69 -12.412 1.979 1.015 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.085 -0.491 0.206 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.590 -0.010 1.814 1.00 0.00 H new ATOM 1104 N LYS A 70 -13.669 -0.804 -0.596 1.00 0.00 N ATOM 1105 CA LYS A 70 -14.859 -1.546 -0.930 1.00 0.00 C ATOM 1106 C LYS A 70 -14.474 -2.579 -1.971 1.00 0.00 C ATOM 1107 O LYS A 70 -13.552 -2.340 -2.725 1.00 0.00 O ATOM 1108 CB LYS A 70 -15.962 -0.617 -1.469 1.00 0.00 C ATOM 1109 CG LYS A 70 -16.526 0.443 -0.491 1.00 0.00 C ATOM 1110 CD LYS A 70 -17.520 -0.100 0.581 1.00 0.00 C ATOM 1111 CE LYS A 70 -16.874 -0.824 1.777 1.00 0.00 C ATOM 1112 NZ LYS A 70 -15.938 0.044 2.530 1.00 0.00 N ATOM 0 H LYS A 70 -13.266 -0.292 -1.381 1.00 0.00 H new ATOM 0 HA LYS A 70 -15.261 -2.029 -0.039 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -15.570 -0.097 -2.343 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -16.790 -1.237 -1.811 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.691 0.921 0.021 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -17.030 1.216 -1.071 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -18.111 0.734 0.959 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -18.213 -0.786 0.094 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -17.656 -1.178 2.449 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -16.340 -1.704 1.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -14.961 -0.271 2.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -16.044 1.028 2.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.151 -0.015 3.546 1.00 0.00 H new ATOM 1126 N PRO A 71 -15.148 -3.743 -1.993 1.00 0.00 N ATOM 1127 CA PRO A 71 -14.824 -4.847 -2.908 1.00 0.00 C ATOM 1128 C PRO A 71 -14.676 -4.448 -4.358 1.00 0.00 C ATOM 1129 O PRO A 71 -15.408 -3.594 -4.886 1.00 0.00 O ATOM 1130 CB PRO A 71 -16.004 -5.757 -2.819 1.00 0.00 C ATOM 1131 CG PRO A 71 -16.594 -5.516 -1.477 1.00 0.00 C ATOM 1132 CD PRO A 71 -16.272 -4.089 -1.116 1.00 0.00 C ATOM 0 HA PRO A 71 -13.864 -5.273 -2.616 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -16.725 -5.543 -3.608 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -15.705 -6.799 -2.934 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -17.672 -5.678 -1.493 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -16.179 -6.205 -0.742 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -17.126 -3.433 -1.285 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -16.001 -3.995 -0.064 1.00 0.00 H new ATOM 1140 N ASN A 72 -13.801 -5.127 -5.024 1.00 0.00 N ATOM 1141 CA ASN A 72 -13.542 -4.833 -6.393 1.00 0.00 C ATOM 1142 C ASN A 72 -13.578 -6.107 -7.207 1.00 0.00 C ATOM 1143 O ASN A 72 -14.000 -7.150 -6.711 1.00 0.00 O ATOM 1144 CB ASN A 72 -12.197 -4.151 -6.526 1.00 0.00 C ATOM 1145 CG ASN A 72 -12.132 -3.284 -7.733 1.00 0.00 C ATOM 1146 OD1 ASN A 72 -11.676 -3.703 -8.799 1.00 0.00 O ATOM 1147 ND2 ASN A 72 -12.672 -2.125 -7.597 1.00 0.00 N ATOM 0 H ASN A 72 -13.250 -5.894 -4.638 1.00 0.00 H new ATOM 0 HA ASN A 72 -14.311 -4.159 -6.771 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -12.005 -3.551 -5.637 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -11.411 -4.905 -6.578 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -12.740 -1.497 -8.398 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -13.032 -1.834 -6.688 1.00 0.00 H new ATOM 1154 N LYS A 73 -13.180 -6.016 -8.450 1.00 0.00 N ATOM 1155 CA LYS A 73 -13.150 -7.144 -9.340 1.00 0.00 C ATOM 1156 C LYS A 73 -11.717 -7.605 -9.530 1.00 0.00 C ATOM 1157 O LYS A 73 -11.460 -8.655 -10.095 1.00 0.00 O ATOM 1158 CB LYS A 73 -13.808 -6.774 -10.668 1.00 0.00 C ATOM 1159 CG LYS A 73 -15.274 -6.346 -10.518 1.00 0.00 C ATOM 1160 CD LYS A 73 -16.136 -7.472 -9.945 1.00 0.00 C ATOM 1161 CE LYS A 73 -17.556 -7.008 -9.646 1.00 0.00 C ATOM 1162 NZ LYS A 73 -17.594 -5.996 -8.545 1.00 0.00 N ATOM 0 H LYS A 73 -12.864 -5.145 -8.876 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.714 -7.972 -8.910 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.245 -5.964 -11.131 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.753 -7.628 -11.344 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.334 -5.474 -9.866 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.667 -6.045 -11.489 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.167 -8.301 -10.652 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.678 -7.850 -9.031 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -17.995 -6.580 -10.547 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -18.168 -7.867 -9.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -18.572 -5.883 -8.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.995 -6.317 -7.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.241 -5.084 -8.899 1.00 0.00 H new ATOM 1176 N ARG A 74 -10.777 -6.792 -9.064 1.00 0.00 N ATOM 1177 CA ARG A 74 -9.401 -7.180 -9.053 1.00 0.00 C ATOM 1178 C ARG A 74 -9.161 -8.200 -7.971 1.00 0.00 C ATOM 1179 O ARG A 74 -9.461 -7.945 -6.794 1.00 0.00 O ATOM 1180 CB ARG A 74 -8.509 -5.963 -8.835 1.00 0.00 C ATOM 1181 CG ARG A 74 -7.939 -5.380 -10.109 1.00 0.00 C ATOM 1182 CD ARG A 74 -6.767 -6.220 -10.631 1.00 0.00 C ATOM 1183 NE ARG A 74 -5.547 -6.098 -9.769 1.00 0.00 N ATOM 1184 CZ ARG A 74 -4.263 -6.442 -10.107 1.00 0.00 C ATOM 1185 NH1 ARG A 74 -3.995 -6.988 -11.291 1.00 0.00 N ATOM 1186 NH2 ARG A 74 -3.263 -6.234 -9.244 1.00 0.00 N ATOM 0 H ARG A 74 -10.959 -5.860 -8.691 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.155 -7.624 -10.018 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -9.083 -5.192 -8.320 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.687 -6.242 -8.176 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -8.719 -5.329 -10.869 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -7.604 -4.359 -9.926 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.068 -7.266 -10.683 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.524 -5.907 -11.646 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.686 -5.719 -8.832 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.748 -7.155 -11.958 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -3.036 -7.240 -11.531 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -3.454 -5.819 -8.332 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -2.309 -6.491 -9.497 1.00 0.00 H new ATOM 1200 N LYS A 75 -8.672 -9.359 -8.366 1.00 0.00 N ATOM 1201 CA LYS A 75 -8.286 -10.366 -7.419 1.00 0.00 C ATOM 1202 C LYS A 75 -7.184 -9.779 -6.595 1.00 0.00 C ATOM 1203 O LYS A 75 -6.203 -9.275 -7.142 1.00 0.00 O ATOM 1204 CB LYS A 75 -7.771 -11.610 -8.130 1.00 0.00 C ATOM 1205 CG LYS A 75 -7.557 -12.810 -7.202 1.00 0.00 C ATOM 1206 CD LYS A 75 -6.132 -13.332 -7.269 1.00 0.00 C ATOM 1207 CE LYS A 75 -5.121 -12.449 -6.508 1.00 0.00 C ATOM 1208 NZ LYS A 75 -5.322 -12.484 -5.027 1.00 0.00 N ATOM 0 H LYS A 75 -8.535 -9.620 -9.343 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.140 -10.660 -6.809 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.478 -11.889 -8.912 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.828 -11.371 -8.623 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.790 -12.522 -6.177 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.249 -13.607 -7.474 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -6.103 -14.341 -6.859 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.827 -13.403 -8.313 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.109 -12.780 -6.741 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.208 -11.420 -6.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.639 -11.848 -4.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.289 -12.175 -4.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.179 -13.454 -4.680 1.00 0.00 H new ATOM 1222 N GLY A 76 -7.333 -9.826 -5.327 1.00 0.00 N ATOM 1223 CA GLY A 76 -6.374 -9.255 -4.467 1.00 0.00 C ATOM 1224 C GLY A 76 -6.883 -8.025 -3.811 1.00 0.00 C ATOM 1225 O GLY A 76 -6.394 -7.642 -2.780 1.00 0.00 O ATOM 0 H GLY A 76 -8.125 -10.263 -4.856 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.090 -9.982 -3.706 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.473 -9.018 -5.033 1.00 0.00 H new ATOM 1229 N PHE A 77 -7.886 -7.413 -4.387 1.00 0.00 N ATOM 1230 CA PHE A 77 -8.415 -6.211 -3.807 1.00 0.00 C ATOM 1231 C PHE A 77 -9.261 -6.591 -2.603 1.00 0.00 C ATOM 1232 O PHE A 77 -9.148 -6.001 -1.537 1.00 0.00 O ATOM 1233 CB PHE A 77 -9.245 -5.436 -4.826 1.00 0.00 C ATOM 1234 CG PHE A 77 -9.484 -3.997 -4.457 1.00 0.00 C ATOM 1235 CD1 PHE A 77 -10.406 -3.645 -3.492 1.00 0.00 C ATOM 1236 CD2 PHE A 77 -8.772 -3.000 -5.085 1.00 0.00 C ATOM 1237 CE1 PHE A 77 -10.609 -2.327 -3.164 1.00 0.00 C ATOM 1238 CE2 PHE A 77 -8.969 -1.675 -4.761 1.00 0.00 C ATOM 1239 CZ PHE A 77 -9.892 -1.337 -3.799 1.00 0.00 C ATOM 0 H PHE A 77 -8.345 -7.723 -5.244 1.00 0.00 H new ATOM 0 HA PHE A 77 -7.596 -5.563 -3.494 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -8.742 -5.473 -5.792 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -10.207 -5.933 -4.948 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -10.974 -4.414 -2.990 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -8.048 -3.260 -5.843 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -11.333 -2.066 -2.406 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -8.401 -0.905 -5.261 1.00 0.00 H new ATOM 0 HZ PHE A 77 -10.054 -0.300 -3.543 1.00 0.00 H new ATOM 1249 N ASN A 78 -10.060 -7.631 -2.772 1.00 0.00 N ATOM 1250 CA ASN A 78 -10.951 -8.099 -1.715 1.00 0.00 C ATOM 1251 C ASN A 78 -10.143 -8.734 -0.612 1.00 0.00 C ATOM 1252 O ASN A 78 -10.368 -8.483 0.574 1.00 0.00 O ATOM 1253 CB ASN A 78 -11.998 -9.102 -2.245 1.00 0.00 C ATOM 1254 CG ASN A 78 -13.008 -8.486 -3.202 1.00 0.00 C ATOM 1255 OD1 ASN A 78 -14.010 -7.968 -2.788 1.00 0.00 O ATOM 1256 ND2 ASN A 78 -12.763 -8.576 -4.484 1.00 0.00 N ATOM 0 H ASN A 78 -10.112 -8.172 -3.635 1.00 0.00 H new ATOM 0 HA ASN A 78 -11.490 -7.235 -1.328 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -11.482 -9.918 -2.751 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -12.531 -9.538 -1.400 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -13.430 -8.201 -5.158 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -11.905 -9.021 -4.809 1.00 0.00 H new ATOM 1263 N GLU A 79 -9.176 -9.528 -1.009 1.00 0.00 N ATOM 1264 CA GLU A 79 -8.296 -10.198 -0.084 1.00 0.00 C ATOM 1265 C GLU A 79 -7.405 -9.179 0.608 1.00 0.00 C ATOM 1266 O GLU A 79 -7.076 -9.325 1.774 1.00 0.00 O ATOM 1267 CB GLU A 79 -7.431 -11.259 -0.788 1.00 0.00 C ATOM 1268 CG GLU A 79 -8.202 -12.230 -1.690 1.00 0.00 C ATOM 1269 CD GLU A 79 -8.340 -11.726 -3.113 1.00 0.00 C ATOM 1270 OE1 GLU A 79 -9.063 -10.729 -3.367 1.00 0.00 O ATOM 1271 OE2 GLU A 79 -7.673 -12.284 -4.001 1.00 0.00 O ATOM 0 H GLU A 79 -8.978 -9.728 -1.989 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.913 -10.710 0.655 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.676 -10.751 -1.388 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.900 -11.835 -0.030 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -7.692 -13.193 -1.698 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.194 -12.398 -1.271 1.00 0.00 H new ATOM 1278 N GLY A 80 -7.058 -8.130 -0.120 1.00 0.00 N ATOM 1279 CA GLY A 80 -6.240 -7.069 0.414 1.00 0.00 C ATOM 1280 C GLY A 80 -6.948 -6.309 1.484 1.00 0.00 C ATOM 1281 O GLY A 80 -6.330 -5.869 2.444 1.00 0.00 O ATOM 0 H GLY A 80 -7.337 -7.996 -1.092 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.318 -7.488 0.816 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.958 -6.388 -0.389 1.00 0.00 H new ATOM 1285 N LEU A 81 -8.257 -6.160 1.321 1.00 0.00 N ATOM 1286 CA LEU A 81 -9.094 -5.537 2.335 1.00 0.00 C ATOM 1287 C LEU A 81 -9.039 -6.364 3.596 1.00 0.00 C ATOM 1288 O LEU A 81 -8.896 -5.842 4.680 1.00 0.00 O ATOM 1289 CB LEU A 81 -10.544 -5.415 1.855 1.00 0.00 C ATOM 1290 CG LEU A 81 -10.770 -4.532 0.632 1.00 0.00 C ATOM 1291 CD1 LEU A 81 -12.232 -4.564 0.212 1.00 0.00 C ATOM 1292 CD2 LEU A 81 -10.326 -3.108 0.918 1.00 0.00 C ATOM 0 H LEU A 81 -8.763 -6.465 0.490 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.719 -4.532 2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.917 -6.414 1.631 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.146 -5.026 2.676 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.170 -4.921 -0.191 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -12.373 -3.928 -0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.518 -5.587 -0.033 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.854 -4.200 1.030 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.494 -2.490 0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.900 -2.709 1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.265 -3.101 1.169 1.00 0.00 H new ATOM 1304 N TRP A 82 -9.083 -7.676 3.427 1.00 0.00 N ATOM 1305 CA TRP A 82 -9.008 -8.571 4.540 1.00 0.00 C ATOM 1306 C TRP A 82 -7.640 -8.457 5.197 1.00 0.00 C ATOM 1307 O TRP A 82 -7.538 -8.351 6.410 1.00 0.00 O ATOM 1308 CB TRP A 82 -9.289 -10.012 4.093 1.00 0.00 C ATOM 1309 CG TRP A 82 -9.137 -11.006 5.194 1.00 0.00 C ATOM 1310 CD1 TRP A 82 -10.058 -11.332 6.122 1.00 0.00 C ATOM 1311 CD2 TRP A 82 -7.979 -11.784 5.478 1.00 0.00 C ATOM 1312 NE1 TRP A 82 -9.543 -12.268 6.990 1.00 0.00 N ATOM 1313 CE2 TRP A 82 -8.264 -12.564 6.608 1.00 0.00 C ATOM 1314 CE3 TRP A 82 -6.732 -11.888 4.879 1.00 0.00 C ATOM 1315 CZ2 TRP A 82 -7.335 -13.441 7.157 1.00 0.00 C ATOM 1316 CZ3 TRP A 82 -5.804 -12.757 5.418 1.00 0.00 C ATOM 1317 CH2 TRP A 82 -6.112 -13.525 6.549 1.00 0.00 C ATOM 0 H TRP A 82 -9.171 -8.134 2.520 1.00 0.00 H new ATOM 0 HA TRP A 82 -9.769 -8.298 5.271 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -10.302 -10.072 3.695 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -8.611 -10.273 3.280 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -11.055 -10.919 6.177 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -10.034 -12.674 7.787 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -6.491 -11.299 4.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -7.570 -14.033 8.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -4.829 -12.846 4.962 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -5.368 -14.198 6.949 1.00 0.00 H new ATOM 1328 N GLU A 83 -6.607 -8.454 4.388 1.00 0.00 N ATOM 1329 CA GLU A 83 -5.252 -8.345 4.880 1.00 0.00 C ATOM 1330 C GLU A 83 -5.010 -7.067 5.660 1.00 0.00 C ATOM 1331 O GLU A 83 -4.518 -7.123 6.764 1.00 0.00 O ATOM 1332 CB GLU A 83 -4.200 -8.530 3.777 1.00 0.00 C ATOM 1333 CG GLU A 83 -4.044 -9.973 3.320 1.00 0.00 C ATOM 1334 CD GLU A 83 -2.829 -10.205 2.408 1.00 0.00 C ATOM 1335 OE1 GLU A 83 -2.581 -9.401 1.491 1.00 0.00 O ATOM 1336 OE2 GLU A 83 -2.080 -11.186 2.612 1.00 0.00 O ATOM 0 H GLU A 83 -6.680 -8.527 3.373 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.133 -9.174 5.578 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -4.472 -7.914 2.920 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.238 -8.166 4.139 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.957 -10.615 4.197 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.947 -10.277 2.791 1.00 0.00 H new ATOM 1343 N ILE A 84 -5.426 -5.941 5.136 1.00 0.00 N ATOM 1344 CA ILE A 84 -5.129 -4.676 5.788 1.00 0.00 C ATOM 1345 C ILE A 84 -6.008 -4.452 7.049 1.00 0.00 C ATOM 1346 O ILE A 84 -5.579 -3.805 8.004 1.00 0.00 O ATOM 1347 CB ILE A 84 -5.199 -3.478 4.783 1.00 0.00 C ATOM 1348 CG1 ILE A 84 -4.581 -2.208 5.394 1.00 0.00 C ATOM 1349 CG2 ILE A 84 -6.635 -3.219 4.326 1.00 0.00 C ATOM 1350 CD1 ILE A 84 -4.406 -1.062 4.409 1.00 0.00 C ATOM 0 H ILE A 84 -5.964 -5.867 4.273 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.099 -4.726 6.140 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.614 -3.750 3.904 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.211 -1.871 6.217 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.609 -2.459 5.818 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.649 -2.381 3.629 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.026 -4.109 3.832 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -7.255 -2.982 5.191 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.965 -0.207 4.921 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.750 -1.377 3.597 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.377 -0.780 4.002 1.00 0.00 H new ATOM 1362 N ASP A 85 -7.199 -5.049 7.055 1.00 0.00 N ATOM 1363 CA ASP A 85 -8.136 -4.948 8.194 1.00 0.00 C ATOM 1364 C ASP A 85 -7.825 -5.982 9.281 1.00 0.00 C ATOM 1365 O ASP A 85 -8.371 -5.916 10.378 1.00 0.00 O ATOM 1366 CB ASP A 85 -9.621 -5.113 7.729 1.00 0.00 C ATOM 1367 CG ASP A 85 -10.252 -3.859 7.103 1.00 0.00 C ATOM 1368 OD1 ASP A 85 -9.599 -3.192 6.273 1.00 0.00 O ATOM 1369 OD2 ASP A 85 -11.409 -3.490 7.478 1.00 0.00 O ATOM 0 H ASP A 85 -7.548 -5.614 6.281 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.004 -3.951 8.615 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -9.670 -5.926 7.004 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.223 -5.414 8.587 1.00 0.00 H new ATOM 1374 N ASN A 86 -6.950 -6.940 8.981 1.00 0.00 N ATOM 1375 CA ASN A 86 -6.653 -8.032 9.932 1.00 0.00 C ATOM 1376 C ASN A 86 -5.178 -8.161 10.237 1.00 0.00 C ATOM 1377 O ASN A 86 -4.770 -8.095 11.390 1.00 0.00 O ATOM 1378 CB ASN A 86 -7.187 -9.378 9.420 1.00 0.00 C ATOM 1379 CG ASN A 86 -8.694 -9.462 9.430 1.00 0.00 C ATOM 1380 OD1 ASN A 86 -9.303 -9.932 10.384 1.00 0.00 O ATOM 1381 ND2 ASN A 86 -9.300 -8.999 8.383 1.00 0.00 N ATOM 0 H ASN A 86 -6.436 -6.991 8.102 1.00 0.00 H new ATOM 0 HA ASN A 86 -7.163 -7.766 10.858 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -6.827 -9.542 8.404 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -6.781 -10.181 10.035 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -10.319 -9.018 8.333 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -8.759 -8.615 7.608 1.00 0.00 H new ATOM 1388 N ASN A 87 -4.371 -8.335 9.214 1.00 0.00 N ATOM 1389 CA ASN A 87 -2.932 -8.531 9.408 1.00 0.00 C ATOM 1390 C ASN A 87 -2.139 -7.482 8.627 1.00 0.00 C ATOM 1391 O ASN A 87 -1.654 -7.739 7.540 1.00 0.00 O ATOM 1392 CB ASN A 87 -2.507 -9.965 9.020 1.00 0.00 C ATOM 1393 CG ASN A 87 -1.011 -10.248 9.195 1.00 0.00 C ATOM 1394 OD1 ASN A 87 -0.329 -9.650 10.023 1.00 0.00 O ATOM 1395 ND2 ASN A 87 -0.502 -11.183 8.426 1.00 0.00 N ATOM 0 H ASN A 87 -4.674 -8.347 8.240 1.00 0.00 H new ATOM 0 HA ASN A 87 -2.709 -8.403 10.467 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -3.072 -10.675 9.624 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -2.779 -10.143 7.980 1.00 0.00 H new ATOM 0 HD21 ASN A 87 0.484 -11.429 8.508 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.093 -11.663 7.747 1.00 0.00 H new ATOM 1402 N PRO A 88 -2.032 -6.267 9.171 1.00 0.00 N ATOM 1403 CA PRO A 88 -1.389 -5.133 8.487 1.00 0.00 C ATOM 1404 C PRO A 88 0.131 -5.262 8.304 1.00 0.00 C ATOM 1405 O PRO A 88 0.753 -4.430 7.644 1.00 0.00 O ATOM 1406 CB PRO A 88 -1.725 -3.943 9.383 1.00 0.00 C ATOM 1407 CG PRO A 88 -1.959 -4.533 10.726 1.00 0.00 C ATOM 1408 CD PRO A 88 -2.583 -5.871 10.478 1.00 0.00 C ATOM 0 HA PRO A 88 -1.754 -5.051 7.463 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.908 -3.221 9.405 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -2.608 -3.414 9.024 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.024 -4.633 11.278 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.615 -3.900 11.323 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -2.322 -6.587 11.258 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.671 -5.809 10.453 1.00 0.00 H new ATOM 1416 N LYS A 89 0.735 -6.280 8.885 1.00 0.00 N ATOM 1417 CA LYS A 89 2.155 -6.484 8.698 1.00 0.00 C ATOM 1418 C LYS A 89 2.373 -7.622 7.715 1.00 0.00 C ATOM 1419 O LYS A 89 3.473 -8.241 7.682 1.00 0.00 O ATOM 1420 CB LYS A 89 2.867 -6.839 10.010 1.00 0.00 C ATOM 1421 CG LYS A 89 2.446 -8.184 10.594 1.00 0.00 C ATOM 1422 CD LYS A 89 3.499 -8.767 11.534 1.00 0.00 C ATOM 1423 CE LYS A 89 4.839 -9.053 10.807 1.00 0.00 C ATOM 1424 NZ LYS A 89 4.668 -9.906 9.582 1.00 0.00 N ATOM 0 H LYS A 89 0.273 -6.967 9.480 1.00 0.00 H new ATOM 0 HA LYS A 89 2.572 -5.549 8.322 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.943 -6.849 9.837 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.669 -6.057 10.743 1.00 0.00 H new ATOM 0 HG2 LYS A 89 1.507 -8.064 11.135 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.259 -8.887 9.782 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.674 -8.073 12.356 1.00 0.00 H new ATOM 0 HD3 LYS A 89 3.121 -9.691 11.972 1.00 0.00 H new ATOM 0 HE2 LYS A 89 5.302 -8.108 10.524 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.522 -9.549 11.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 5.598 -10.247 9.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 4.060 -10.719 9.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 4.228 -9.343 8.826 1.00 0.00 H new