USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 812 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 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 103 CYS SG : rot -150:sc= -0.946 USER MOD Set 2.1: A 63 LYS NZ :NH3+ 171:sc= -1.36 (180deg=-1.67) USER MOD Set 2.2: A 78 GLN :FLIP amide:sc= 0 F(o=-2.2,f=-1.4) USER MOD Single : A 15 GLN : amide:sc= -0.896 K(o=-0.9,f=-1.8!) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.133 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -152:sc= -1.2 (180deg=-2.3!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 133:sc= -0.2 (180deg=-1.25) USER MOD Single : A 46 LYS NZ :NH3+ -116:sc= 0.81 (180deg=-0.0142) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -142:sc= -1.76 (180deg=-2.79!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.0255 K(o=-0.025,f=-1.3) USER MOD Single : A 61 GLN : amide:sc= 1.05 K(o=1.1,f=-0.048) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0887 USER MOD Single : A 69 HIS : no HD1:sc= -0.0999 K(o=-0.1,f=-2.2!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 62:sc= 0.165 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 167:sc= -0.694 (180deg=-0.923) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -7.46! C(o=-7.5!,f=-11!) USER MOD Single : A 89 ASN : amide:sc= -0.0741 X(o=-0.074,f=-0.068) USER MOD Single : A 90 TYR OH : rot -30:sc= 1.32 USER MOD Single : A 92 CYS SG : rot 17:sc= -0.309 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.0919 USER MOD Single : A 96 TYR OH : rot 90:sc= -0.0079 USER MOD Single : A 102 SER OG : rot 27:sc= 0.252 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 110 HIS : no HD1:sc= -1.27 X(o=-1.3,f=-1.7!) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 124 N ILE A 11 11.229 4.755 -0.584 1.00 0.00 N ATOM 125 CA ILE A 11 11.412 5.947 -1.402 1.00 0.00 C ATOM 126 C ILE A 11 10.080 6.445 -1.952 1.00 0.00 C ATOM 127 O ILE A 11 9.857 7.650 -2.065 1.00 0.00 O ATOM 128 CB ILE A 11 12.372 5.682 -2.577 1.00 0.00 C ATOM 129 CG1 ILE A 11 12.915 7.002 -3.128 1.00 0.00 C ATOM 130 CG2 ILE A 11 11.667 4.895 -3.671 1.00 0.00 C ATOM 131 CD1 ILE A 11 14.186 7.463 -2.450 1.00 0.00 C ATOM 0 HA ILE A 11 11.845 6.710 -0.755 1.00 0.00 H new ATOM 0 HB ILE A 11 13.211 5.089 -2.214 1.00 0.00 H new ATOM 0 HG12 ILE A 11 13.102 6.891 -4.196 1.00 0.00 H new ATOM 0 HG13 ILE A 11 12.153 7.774 -3.017 1.00 0.00 H new ATOM 0 HG21 ILE A 11 12.359 4.716 -4.494 1.00 0.00 H new ATOM 0 HG22 ILE A 11 11.325 3.941 -3.270 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.811 5.463 -4.034 1.00 0.00 H new ATOM 0 HD11 ILE A 11 14.513 8.404 -2.891 1.00 0.00 H new ATOM 0 HD12 ILE A 11 13.999 7.607 -1.386 1.00 0.00 H new ATOM 0 HD13 ILE A 11 14.963 6.710 -2.583 1.00 0.00 H new ATOM 143 N GLU A 12 9.198 5.510 -2.291 1.00 0.00 N ATOM 144 CA GLU A 12 7.887 5.855 -2.828 1.00 0.00 C ATOM 145 C GLU A 12 6.800 5.660 -1.775 1.00 0.00 C ATOM 146 O GLU A 12 6.936 4.837 -0.870 1.00 0.00 O ATOM 147 CB GLU A 12 7.577 5.005 -4.061 1.00 0.00 C ATOM 148 CG GLU A 12 6.443 5.555 -4.910 1.00 0.00 C ATOM 149 CD GLU A 12 6.589 7.039 -5.189 1.00 0.00 C ATOM 150 OE1 GLU A 12 7.740 7.524 -5.227 1.00 0.00 O ATOM 151 OE2 GLU A 12 5.555 7.715 -5.367 1.00 0.00 O ATOM 0 H GLU A 12 9.368 4.508 -2.203 1.00 0.00 H new ATOM 0 HA GLU A 12 7.905 6.906 -3.116 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.475 4.929 -4.674 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.323 3.995 -3.741 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.406 5.013 -5.855 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.495 5.376 -4.403 1.00 0.00 H new ATOM 158 N LYS A 13 5.719 6.424 -1.901 1.00 0.00 N ATOM 159 CA LYS A 13 4.607 6.337 -0.963 1.00 0.00 C ATOM 160 C LYS A 13 3.273 6.306 -1.702 1.00 0.00 C ATOM 161 O LYS A 13 2.954 7.193 -2.494 1.00 0.00 O ATOM 162 CB LYS A 13 4.637 7.520 0.008 1.00 0.00 C ATOM 163 CG LYS A 13 5.930 7.626 0.797 1.00 0.00 C ATOM 164 CD LYS A 13 5.844 6.869 2.112 1.00 0.00 C ATOM 165 CE LYS A 13 5.204 7.715 3.202 1.00 0.00 C ATOM 166 NZ LYS A 13 5.712 7.354 4.554 1.00 0.00 N ATOM 0 H LYS A 13 5.590 7.110 -2.644 1.00 0.00 H new ATOM 0 HA LYS A 13 4.712 5.410 -0.399 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.486 8.443 -0.552 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.803 7.429 0.704 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.754 7.231 0.202 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.152 8.675 0.994 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.264 5.957 1.971 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.843 6.566 2.425 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.404 8.769 3.008 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.122 7.586 3.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.252 7.953 5.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.499 6.355 4.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.741 7.502 4.589 1.00 0.00 H new ATOM 180 N PRO A 14 2.473 5.261 -1.438 1.00 0.00 N ATOM 181 CA PRO A 14 1.160 5.091 -2.067 1.00 0.00 C ATOM 182 C PRO A 14 0.145 6.118 -1.576 1.00 0.00 C ATOM 183 O PRO A 14 -0.390 5.997 -0.475 1.00 0.00 O ATOM 184 CB PRO A 14 0.743 3.681 -1.642 1.00 0.00 C ATOM 185 CG PRO A 14 1.483 3.434 -0.373 1.00 0.00 C ATOM 186 CD PRO A 14 2.790 4.167 -0.506 1.00 0.00 C ATOM 0 HA PRO A 14 1.204 5.229 -3.147 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.335 3.615 -1.491 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.004 2.945 -2.402 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.918 3.797 0.485 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.648 2.368 -0.218 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.138 4.546 0.455 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.576 3.520 -0.897 1.00 0.00 H new ATOM 194 N GLN A 15 -0.115 7.127 -2.401 1.00 0.00 N ATOM 195 CA GLN A 15 -1.066 8.175 -2.049 1.00 0.00 C ATOM 196 C GLN A 15 -2.495 7.736 -2.352 1.00 0.00 C ATOM 197 O GLN A 15 -2.897 7.650 -3.511 1.00 0.00 O ATOM 198 CB GLN A 15 -0.744 9.462 -2.810 1.00 0.00 C ATOM 199 CG GLN A 15 0.621 10.041 -2.474 1.00 0.00 C ATOM 200 CD GLN A 15 0.924 9.999 -0.989 1.00 0.00 C ATOM 201 OE1 GLN A 15 0.038 10.200 -0.157 1.00 0.00 O ATOM 202 NE2 GLN A 15 2.180 9.736 -0.648 1.00 0.00 N ATOM 0 H GLN A 15 0.319 7.241 -3.317 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.981 8.363 -0.979 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -0.792 9.263 -3.881 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -1.510 10.206 -2.590 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.389 9.487 -3.013 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.669 11.073 -2.822 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.882 9.576 -1.371 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.443 9.694 0.337 1.00 0.00 H new ATOM 211 N GLY A 16 -3.260 7.459 -1.299 1.00 0.00 N ATOM 212 CA GLY A 16 -4.636 7.032 -1.473 1.00 0.00 C ATOM 213 C GLY A 16 -5.391 7.899 -2.461 1.00 0.00 C ATOM 214 O GLY A 16 -4.899 8.945 -2.883 1.00 0.00 O ATOM 0 H GLY A 16 -2.951 7.523 -0.329 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.652 5.997 -1.816 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -5.145 7.056 -0.510 1.00 0.00 H new ATOM 218 N GLY A 17 -6.591 7.463 -2.833 1.00 0.00 N ATOM 219 CA GLY A 17 -7.395 8.218 -3.776 1.00 0.00 C ATOM 220 C GLY A 17 -8.872 7.893 -3.668 1.00 0.00 C ATOM 221 O GLY A 17 -9.346 7.462 -2.617 1.00 0.00 O ATOM 0 H GLY A 17 -7.020 6.601 -2.498 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.247 9.284 -3.603 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.053 8.009 -4.790 1.00 0.00 H new ATOM 225 N THR A 18 -9.604 8.102 -4.759 1.00 0.00 N ATOM 226 CA THR A 18 -11.035 7.831 -4.782 1.00 0.00 C ATOM 227 C THR A 18 -11.440 7.119 -6.067 1.00 0.00 C ATOM 228 O THR A 18 -11.300 7.665 -7.162 1.00 0.00 O ATOM 229 CB THR A 18 -11.855 9.129 -4.647 1.00 0.00 C ATOM 230 OG1 THR A 18 -11.259 9.985 -3.666 1.00 0.00 O ATOM 231 CG2 THR A 18 -13.292 8.823 -4.255 1.00 0.00 C ATOM 0 H THR A 18 -9.228 8.458 -5.638 1.00 0.00 H new ATOM 0 HA THR A 18 -11.248 7.185 -3.930 1.00 0.00 H new ATOM 0 HB THR A 18 -11.859 9.633 -5.614 1.00 0.00 H new ATOM 0 HG1 THR A 18 -11.785 10.808 -3.587 1.00 0.00 H new ATOM 0 HG21 THR A 18 -13.851 9.754 -4.166 1.00 0.00 H new ATOM 0 HG22 THR A 18 -13.752 8.196 -5.019 1.00 0.00 H new ATOM 0 HG23 THR A 18 -13.305 8.299 -3.299 1.00 0.00 H new ATOM 239 N VAL A 19 -11.943 5.897 -5.928 1.00 0.00 N ATOM 240 CA VAL A 19 -12.370 5.110 -7.079 1.00 0.00 C ATOM 241 C VAL A 19 -13.882 4.913 -7.080 1.00 0.00 C ATOM 242 O VAL A 19 -14.491 4.692 -6.033 1.00 0.00 O ATOM 243 CB VAL A 19 -11.683 3.732 -7.103 1.00 0.00 C ATOM 244 CG1 VAL A 19 -11.997 2.957 -5.833 1.00 0.00 C ATOM 245 CG2 VAL A 19 -12.108 2.947 -8.335 1.00 0.00 C ATOM 0 H VAL A 19 -12.065 5.430 -5.029 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.079 5.668 -7.969 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.605 3.883 -7.150 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.503 1.986 -5.868 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.639 3.515 -4.968 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -13.074 2.813 -5.751 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.613 1.976 -8.336 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -13.188 2.804 -8.320 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -11.827 3.498 -9.232 1.00 0.00 H new ATOM 255 N LYS A 20 -14.483 4.993 -8.262 1.00 0.00 N ATOM 256 CA LYS A 20 -15.924 4.822 -8.401 1.00 0.00 C ATOM 257 C LYS A 20 -16.316 3.356 -8.240 1.00 0.00 C ATOM 258 O LYS A 20 -15.517 2.457 -8.504 1.00 0.00 O ATOM 259 CB LYS A 20 -16.391 5.339 -9.764 1.00 0.00 C ATOM 260 CG LYS A 20 -17.859 5.728 -9.797 1.00 0.00 C ATOM 261 CD LYS A 20 -18.133 6.943 -8.927 1.00 0.00 C ATOM 262 CE LYS A 20 -17.575 8.213 -9.551 1.00 0.00 C ATOM 263 NZ LYS A 20 -18.480 8.759 -10.601 1.00 0.00 N ATOM 0 H LYS A 20 -13.994 5.175 -9.138 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.411 5.399 -7.614 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.788 6.204 -10.041 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.210 4.571 -10.516 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.157 5.940 -10.824 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.466 4.890 -9.455 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.207 7.051 -8.779 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.689 6.795 -7.943 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.425 8.963 -8.775 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.598 8.005 -9.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.065 9.624 -11.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -18.603 8.053 -11.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -19.405 8.982 -10.181 1.00 0.00 H new ATOM 277 N VAL A 21 -17.551 3.122 -7.808 1.00 0.00 N ATOM 278 CA VAL A 21 -18.049 1.766 -7.614 1.00 0.00 C ATOM 279 C VAL A 21 -18.040 0.985 -8.924 1.00 0.00 C ATOM 280 O VAL A 21 -18.648 1.400 -9.910 1.00 0.00 O ATOM 281 CB VAL A 21 -19.478 1.769 -7.041 1.00 0.00 C ATOM 282 CG1 VAL A 21 -20.046 0.358 -7.013 1.00 0.00 C ATOM 283 CG2 VAL A 21 -19.493 2.387 -5.651 1.00 0.00 C ATOM 0 H VAL A 21 -18.225 3.855 -7.586 1.00 0.00 H new ATOM 0 HA VAL A 21 -17.381 1.283 -6.901 1.00 0.00 H new ATOM 0 HB VAL A 21 -20.110 2.375 -7.690 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -21.056 0.381 -6.605 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -20.073 -0.044 -8.026 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -19.416 -0.275 -6.388 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -20.511 2.381 -5.261 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -18.847 1.810 -4.989 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -19.131 3.414 -5.705 1.00 0.00 H new ATOM 293 N GLY A 22 -17.346 -0.149 -8.927 1.00 0.00 N ATOM 294 CA GLY A 22 -17.271 -0.970 -10.121 1.00 0.00 C ATOM 295 C GLY A 22 -16.036 -0.677 -10.949 1.00 0.00 C ATOM 296 O GLY A 22 -15.653 -1.474 -11.806 1.00 0.00 O ATOM 0 H GLY A 22 -16.834 -0.514 -8.124 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -17.272 -2.022 -9.836 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.160 -0.804 -10.729 1.00 0.00 H new ATOM 300 N GLU A 23 -15.413 0.469 -10.695 1.00 0.00 N ATOM 301 CA GLU A 23 -14.216 0.866 -11.427 1.00 0.00 C ATOM 302 C GLU A 23 -12.989 0.124 -10.905 1.00 0.00 C ATOM 303 O GLU A 23 -13.093 -0.725 -10.020 1.00 0.00 O ATOM 304 CB GLU A 23 -13.999 2.376 -11.314 1.00 0.00 C ATOM 305 CG GLU A 23 -14.623 3.167 -12.452 1.00 0.00 C ATOM 306 CD GLU A 23 -16.138 3.181 -12.389 1.00 0.00 C ATOM 307 OE1 GLU A 23 -16.713 2.301 -11.715 1.00 0.00 O ATOM 308 OE2 GLU A 23 -16.749 4.074 -13.015 1.00 0.00 O ATOM 0 H GLU A 23 -15.717 1.139 -9.988 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.359 0.605 -12.476 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.415 2.725 -10.369 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.929 2.580 -11.285 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.252 4.192 -12.424 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -14.306 2.740 -13.403 1.00 0.00 H new ATOM 315 N ASP A 24 -11.827 0.451 -11.459 1.00 0.00 N ATOM 316 CA ASP A 24 -10.579 -0.183 -11.050 1.00 0.00 C ATOM 317 C ASP A 24 -9.518 0.865 -10.726 1.00 0.00 C ATOM 318 O ASP A 24 -9.403 1.879 -11.414 1.00 0.00 O ATOM 319 CB ASP A 24 -10.071 -1.117 -12.150 1.00 0.00 C ATOM 320 CG ASP A 24 -8.558 -1.195 -12.191 1.00 0.00 C ATOM 321 OD1 ASP A 24 -7.925 -0.206 -12.616 1.00 0.00 O ATOM 322 OD2 ASP A 24 -8.007 -2.245 -11.799 1.00 0.00 O ATOM 0 H ASP A 24 -11.723 1.152 -12.193 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.775 -0.767 -10.151 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.479 -2.115 -11.992 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.440 -0.771 -13.115 1.00 0.00 H new ATOM 327 N ILE A 25 -8.747 0.613 -9.673 1.00 0.00 N ATOM 328 CA ILE A 25 -7.696 1.534 -9.258 1.00 0.00 C ATOM 329 C ILE A 25 -6.385 0.796 -9.010 1.00 0.00 C ATOM 330 O ILE A 25 -6.376 -0.406 -8.743 1.00 0.00 O ATOM 331 CB ILE A 25 -8.091 2.300 -7.982 1.00 0.00 C ATOM 332 CG1 ILE A 25 -7.041 3.363 -7.654 1.00 0.00 C ATOM 333 CG2 ILE A 25 -8.259 1.336 -6.817 1.00 0.00 C ATOM 334 CD1 ILE A 25 -7.595 4.542 -6.885 1.00 0.00 C ATOM 0 H ILE A 25 -8.831 -0.221 -9.092 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.560 2.246 -10.072 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.044 2.799 -8.155 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.241 2.905 -7.073 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.596 3.722 -8.582 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -8.538 1.892 -5.922 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.039 0.613 -7.053 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.320 0.812 -6.640 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.795 5.256 -6.687 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.375 5.025 -7.473 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.014 4.196 -5.940 1.00 0.00 H new ATOM 346 N THR A 26 -5.277 1.525 -9.099 1.00 0.00 N ATOM 347 CA THR A 26 -3.959 0.941 -8.883 1.00 0.00 C ATOM 348 C THR A 26 -3.063 1.884 -8.089 1.00 0.00 C ATOM 349 O THR A 26 -2.860 3.036 -8.475 1.00 0.00 O ATOM 350 CB THR A 26 -3.271 0.599 -10.218 1.00 0.00 C ATOM 351 OG1 THR A 26 -4.233 0.092 -11.149 1.00 0.00 O ATOM 352 CG2 THR A 26 -2.168 -0.428 -10.011 1.00 0.00 C ATOM 0 H THR A 26 -5.266 2.521 -9.319 1.00 0.00 H new ATOM 0 HA THR A 26 -4.109 0.023 -8.315 1.00 0.00 H new ATOM 0 HB THR A 26 -2.826 1.511 -10.616 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.788 -0.122 -11.996 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.697 -0.654 -10.968 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.422 -0.027 -9.325 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.594 -1.340 -9.592 1.00 0.00 H new ATOM 360 N PHE A 27 -2.527 1.389 -6.978 1.00 0.00 N ATOM 361 CA PHE A 27 -1.652 2.189 -6.129 1.00 0.00 C ATOM 362 C PHE A 27 -0.187 1.841 -6.378 1.00 0.00 C ATOM 363 O PHE A 27 0.157 0.680 -6.601 1.00 0.00 O ATOM 364 CB PHE A 27 -1.996 1.969 -4.655 1.00 0.00 C ATOM 365 CG PHE A 27 -3.439 2.234 -4.330 1.00 0.00 C ATOM 366 CD1 PHE A 27 -4.401 1.261 -4.547 1.00 0.00 C ATOM 367 CD2 PHE A 27 -3.832 3.456 -3.809 1.00 0.00 C ATOM 368 CE1 PHE A 27 -5.730 1.501 -4.249 1.00 0.00 C ATOM 369 CE2 PHE A 27 -5.159 3.702 -3.509 1.00 0.00 C ATOM 370 CZ PHE A 27 -6.109 2.724 -3.730 1.00 0.00 C ATOM 0 H PHE A 27 -2.683 0.438 -6.645 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.806 3.239 -6.378 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.753 0.942 -4.383 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.369 2.617 -4.043 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.110 0.304 -4.954 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.094 4.225 -3.635 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.470 0.734 -4.422 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.453 4.658 -3.102 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.146 2.915 -3.498 1.00 0.00 H new ATOM 380 N ILE A 28 0.670 2.856 -6.338 1.00 0.00 N ATOM 381 CA ILE A 28 2.097 2.658 -6.559 1.00 0.00 C ATOM 382 C ILE A 28 2.856 2.605 -5.237 1.00 0.00 C ATOM 383 O ILE A 28 2.737 3.504 -4.405 1.00 0.00 O ATOM 384 CB ILE A 28 2.692 3.777 -7.434 1.00 0.00 C ATOM 385 CG1 ILE A 28 2.143 3.686 -8.860 1.00 0.00 C ATOM 386 CG2 ILE A 28 4.211 3.695 -7.440 1.00 0.00 C ATOM 387 CD1 ILE A 28 2.521 2.406 -9.572 1.00 0.00 C ATOM 0 H ILE A 28 0.401 3.823 -6.155 1.00 0.00 H new ATOM 0 HA ILE A 28 2.206 1.705 -7.077 1.00 0.00 H new ATOM 0 HB ILE A 28 2.401 4.740 -7.013 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.057 3.767 -8.828 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.510 4.535 -9.437 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.616 4.493 -8.063 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.585 3.804 -6.422 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.522 2.730 -7.839 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.098 2.410 -10.577 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.607 2.332 -9.635 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.131 1.552 -9.018 1.00 0.00 H new ATOM 399 N ALA A 29 3.637 1.546 -5.052 1.00 0.00 N ATOM 400 CA ALA A 29 4.419 1.377 -3.833 1.00 0.00 C ATOM 401 C ALA A 29 5.701 0.598 -4.106 1.00 0.00 C ATOM 402 O ALA A 29 5.663 -0.596 -4.401 1.00 0.00 O ATOM 403 CB ALA A 29 3.590 0.676 -2.767 1.00 0.00 C ATOM 0 H ALA A 29 3.745 0.792 -5.731 1.00 0.00 H new ATOM 0 HA ALA A 29 4.697 2.366 -3.469 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.186 0.556 -1.862 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.706 1.273 -2.543 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.283 -0.304 -3.131 1.00 0.00 H new ATOM 409 N LYS A 30 6.836 1.282 -4.007 1.00 0.00 N ATOM 410 CA LYS A 30 8.131 0.655 -4.243 1.00 0.00 C ATOM 411 C LYS A 30 9.113 1.000 -3.129 1.00 0.00 C ATOM 412 O LYS A 30 9.153 2.134 -2.652 1.00 0.00 O ATOM 413 CB LYS A 30 8.697 1.099 -5.593 1.00 0.00 C ATOM 414 CG LYS A 30 9.584 2.329 -5.506 1.00 0.00 C ATOM 415 CD LYS A 30 9.889 2.897 -6.882 1.00 0.00 C ATOM 416 CE LYS A 30 8.667 3.567 -7.491 1.00 0.00 C ATOM 417 NZ LYS A 30 8.675 5.040 -7.271 1.00 0.00 N ATOM 0 H LYS A 30 6.885 2.272 -3.765 1.00 0.00 H new ATOM 0 HA LYS A 30 7.987 -0.425 -4.254 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.270 0.278 -6.025 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.871 1.304 -6.274 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.094 3.090 -4.898 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.516 2.071 -5.003 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.702 3.619 -6.807 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.233 2.098 -7.539 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.634 3.360 -8.561 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.764 3.140 -7.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.697 5.393 -7.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.140 5.253 -6.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.193 5.504 -8.044 1.00 0.00 H new ATOM 431 N VAL A 31 9.907 0.015 -2.719 1.00 0.00 N ATOM 432 CA VAL A 31 10.892 0.216 -1.663 1.00 0.00 C ATOM 433 C VAL A 31 12.310 0.192 -2.222 1.00 0.00 C ATOM 434 O VAL A 31 12.591 -0.497 -3.203 1.00 0.00 O ATOM 435 CB VAL A 31 10.765 -0.858 -0.567 1.00 0.00 C ATOM 436 CG1 VAL A 31 11.685 -0.539 0.602 1.00 0.00 C ATOM 437 CG2 VAL A 31 9.321 -0.978 -0.102 1.00 0.00 C ATOM 0 H VAL A 31 9.887 -0.930 -3.102 1.00 0.00 H new ATOM 0 HA VAL A 31 10.694 1.195 -1.227 1.00 0.00 H new ATOM 0 HB VAL A 31 11.068 -1.817 -0.986 1.00 0.00 H new ATOM 0 HG11 VAL A 31 11.582 -1.309 1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.718 -0.509 0.255 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.416 0.430 1.023 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.250 -1.742 0.673 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.988 -0.021 0.300 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.689 -1.257 -0.945 1.00 0.00 H new ATOM 447 N LYS A 32 13.202 0.948 -1.591 1.00 0.00 N ATOM 448 CA LYS A 32 14.593 1.013 -2.023 1.00 0.00 C ATOM 449 C LYS A 32 15.352 -0.242 -1.604 1.00 0.00 C ATOM 450 O LYS A 32 15.399 -0.585 -0.423 1.00 0.00 O ATOM 451 CB LYS A 32 15.273 2.253 -1.438 1.00 0.00 C ATOM 452 CG LYS A 32 16.581 2.609 -2.121 1.00 0.00 C ATOM 453 CD LYS A 32 16.360 3.545 -3.297 1.00 0.00 C ATOM 454 CE LYS A 32 17.396 3.325 -4.388 1.00 0.00 C ATOM 455 NZ LYS A 32 18.619 4.145 -4.165 1.00 0.00 N ATOM 0 H LYS A 32 12.986 1.525 -0.778 1.00 0.00 H new ATOM 0 HA LYS A 32 14.607 1.078 -3.111 1.00 0.00 H new ATOM 0 HB2 LYS A 32 14.591 3.100 -1.513 1.00 0.00 H new ATOM 0 HB3 LYS A 32 15.460 2.088 -0.377 1.00 0.00 H new ATOM 0 HG2 LYS A 32 17.252 3.079 -1.402 1.00 0.00 H new ATOM 0 HG3 LYS A 32 17.071 1.699 -2.466 1.00 0.00 H new ATOM 0 HD2 LYS A 32 15.362 3.388 -3.705 1.00 0.00 H new ATOM 0 HD3 LYS A 32 16.405 4.579 -2.954 1.00 0.00 H new ATOM 0 HE2 LYS A 32 17.668 2.270 -4.423 1.00 0.00 H new ATOM 0 HE3 LYS A 32 16.963 3.575 -5.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 19.301 3.967 -4.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 18.364 5.153 -4.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 19.047 3.888 -3.253 1.00 0.00 H new ATOM 469 N ALA A 33 15.946 -0.922 -2.579 1.00 0.00 N ATOM 470 CA ALA A 33 16.706 -2.137 -2.310 1.00 0.00 C ATOM 471 C ALA A 33 18.126 -2.027 -2.853 1.00 0.00 C ATOM 472 O ALA A 33 18.404 -1.207 -3.728 1.00 0.00 O ATOM 473 CB ALA A 33 16.001 -3.344 -2.910 1.00 0.00 C ATOM 0 H ALA A 33 15.916 -0.652 -3.562 1.00 0.00 H new ATOM 0 HA ALA A 33 16.767 -2.266 -1.229 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.579 -4.244 -2.702 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.008 -3.441 -2.471 1.00 0.00 H new ATOM 0 HB3 ALA A 33 15.910 -3.213 -3.988 1.00 0.00 H new ATOM 479 N GLU A 34 19.021 -2.858 -2.328 1.00 0.00 N ATOM 480 CA GLU A 34 20.414 -2.852 -2.761 1.00 0.00 C ATOM 481 C GLU A 34 20.851 -4.244 -3.207 1.00 0.00 C ATOM 482 O GLU A 34 21.501 -4.401 -4.241 1.00 0.00 O ATOM 483 CB GLU A 34 21.320 -2.359 -1.630 1.00 0.00 C ATOM 484 CG GLU A 34 21.013 -0.941 -1.178 1.00 0.00 C ATOM 485 CD GLU A 34 22.045 -0.401 -0.208 1.00 0.00 C ATOM 486 OE1 GLU A 34 23.043 0.190 -0.673 1.00 0.00 O ATOM 487 OE2 GLU A 34 21.856 -0.569 1.015 1.00 0.00 O ATOM 0 H GLU A 34 18.807 -3.543 -1.603 1.00 0.00 H new ATOM 0 HA GLU A 34 20.501 -2.173 -3.610 1.00 0.00 H new ATOM 0 HB2 GLU A 34 21.222 -3.032 -0.778 1.00 0.00 H new ATOM 0 HB3 GLU A 34 22.358 -2.410 -1.959 1.00 0.00 H new ATOM 0 HG2 GLU A 34 20.963 -0.289 -2.050 1.00 0.00 H new ATOM 0 HG3 GLU A 34 20.030 -0.919 -0.707 1.00 0.00 H new ATOM 494 N ASP A 35 20.491 -5.251 -2.420 1.00 0.00 N ATOM 495 CA ASP A 35 20.845 -6.631 -2.733 1.00 0.00 C ATOM 496 C ASP A 35 19.788 -7.273 -3.627 1.00 0.00 C ATOM 497 O ASP A 35 18.721 -6.702 -3.854 1.00 0.00 O ATOM 498 CB ASP A 35 21.005 -7.443 -1.447 1.00 0.00 C ATOM 499 CG ASP A 35 22.425 -7.413 -0.916 1.00 0.00 C ATOM 500 OD1 ASP A 35 22.863 -6.339 -0.456 1.00 0.00 O ATOM 501 OD2 ASP A 35 23.098 -8.464 -0.962 1.00 0.00 O ATOM 0 H ASP A 35 19.954 -5.138 -1.560 1.00 0.00 H new ATOM 0 HA ASP A 35 21.794 -6.625 -3.269 1.00 0.00 H new ATOM 0 HB2 ASP A 35 20.328 -7.052 -0.687 1.00 0.00 H new ATOM 0 HB3 ASP A 35 20.712 -8.476 -1.634 1.00 0.00 H new ATOM 506 N LEU A 36 20.093 -8.464 -4.132 1.00 0.00 N ATOM 507 CA LEU A 36 19.171 -9.184 -5.003 1.00 0.00 C ATOM 508 C LEU A 36 18.604 -10.413 -4.298 1.00 0.00 C ATOM 509 O LEU A 36 17.442 -10.772 -4.492 1.00 0.00 O ATOM 510 CB LEU A 36 19.877 -9.602 -6.293 1.00 0.00 C ATOM 511 CG LEU A 36 20.680 -8.511 -7.003 1.00 0.00 C ATOM 512 CD1 LEU A 36 21.272 -9.042 -8.299 1.00 0.00 C ATOM 513 CD2 LEU A 36 19.805 -7.296 -7.272 1.00 0.00 C ATOM 0 H LEU A 36 20.971 -8.951 -3.953 1.00 0.00 H new ATOM 0 HA LEU A 36 18.346 -8.516 -5.249 1.00 0.00 H new ATOM 0 HB2 LEU A 36 20.549 -10.429 -6.064 1.00 0.00 H new ATOM 0 HB3 LEU A 36 19.127 -9.983 -6.987 1.00 0.00 H new ATOM 0 HG LEU A 36 21.499 -8.207 -6.352 1.00 0.00 H new ATOM 0 HD11 LEU A 36 21.840 -8.252 -8.790 1.00 0.00 H new ATOM 0 HD12 LEU A 36 21.932 -9.881 -8.080 1.00 0.00 H new ATOM 0 HD13 LEU A 36 20.469 -9.374 -8.957 1.00 0.00 H new ATOM 0 HD21 LEU A 36 20.392 -6.529 -7.778 1.00 0.00 H new ATOM 0 HD22 LEU A 36 18.965 -7.585 -7.904 1.00 0.00 H new ATOM 0 HD23 LEU A 36 19.430 -6.902 -6.328 1.00 0.00 H new ATOM 525 N LEU A 37 19.432 -11.052 -3.479 1.00 0.00 N ATOM 526 CA LEU A 37 19.013 -12.240 -2.742 1.00 0.00 C ATOM 527 C LEU A 37 17.827 -11.928 -1.835 1.00 0.00 C ATOM 528 O LEU A 37 16.916 -12.743 -1.686 1.00 0.00 O ATOM 529 CB LEU A 37 20.176 -12.785 -1.912 1.00 0.00 C ATOM 530 CG LEU A 37 21.275 -13.509 -2.689 1.00 0.00 C ATOM 531 CD1 LEU A 37 20.708 -14.724 -3.409 1.00 0.00 C ATOM 532 CD2 LEU A 37 21.940 -12.564 -3.679 1.00 0.00 C ATOM 0 H LEU A 37 20.397 -10.768 -3.308 1.00 0.00 H new ATOM 0 HA LEU A 37 18.705 -12.996 -3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 37 20.629 -11.955 -1.370 1.00 0.00 H new ATOM 0 HB3 LEU A 37 19.774 -13.471 -1.167 1.00 0.00 H new ATOM 0 HG LEU A 37 22.029 -13.851 -1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 37 21.505 -15.227 -3.957 1.00 0.00 H new ATOM 0 HD12 LEU A 37 20.279 -15.411 -2.680 1.00 0.00 H new ATOM 0 HD13 LEU A 37 19.934 -14.405 -4.107 1.00 0.00 H new ATOM 0 HD21 LEU A 37 22.720 -13.097 -4.223 1.00 0.00 H new ATOM 0 HD22 LEU A 37 21.196 -12.192 -4.383 1.00 0.00 H new ATOM 0 HD23 LEU A 37 22.382 -11.725 -3.141 1.00 0.00 H new ATOM 544 N ARG A 38 17.844 -10.743 -1.234 1.00 0.00 N ATOM 545 CA ARG A 38 16.769 -10.324 -0.342 1.00 0.00 C ATOM 546 C ARG A 38 15.676 -9.593 -1.115 1.00 0.00 C ATOM 547 O ARG A 38 15.944 -8.624 -1.826 1.00 0.00 O ATOM 548 CB ARG A 38 17.319 -9.420 0.763 1.00 0.00 C ATOM 549 CG ARG A 38 18.279 -10.127 1.706 1.00 0.00 C ATOM 550 CD ARG A 38 17.548 -10.737 2.892 1.00 0.00 C ATOM 551 NE ARG A 38 18.415 -11.609 3.680 1.00 0.00 N ATOM 552 CZ ARG A 38 18.641 -12.884 3.382 1.00 0.00 C ATOM 553 NH1 ARG A 38 18.068 -13.432 2.320 1.00 0.00 N ATOM 554 NH2 ARG A 38 19.443 -13.613 4.148 1.00 0.00 N ATOM 0 H ARG A 38 18.590 -10.056 -1.348 1.00 0.00 H new ATOM 0 HA ARG A 38 16.336 -11.216 0.110 1.00 0.00 H new ATOM 0 HB2 ARG A 38 17.830 -8.572 0.307 1.00 0.00 H new ATOM 0 HB3 ARG A 38 16.486 -9.018 1.340 1.00 0.00 H new ATOM 0 HG2 ARG A 38 18.812 -10.909 1.165 1.00 0.00 H new ATOM 0 HG3 ARG A 38 19.027 -9.419 2.063 1.00 0.00 H new ATOM 0 HD2 ARG A 38 17.161 -9.941 3.528 1.00 0.00 H new ATOM 0 HD3 ARG A 38 16.690 -11.306 2.535 1.00 0.00 H new ATOM 0 HE ARG A 38 18.872 -11.218 4.504 1.00 0.00 H new ATOM 0 HH11 ARG A 38 17.451 -12.875 1.729 1.00 0.00 H new ATOM 0 HH12 ARG A 38 18.244 -14.411 2.094 1.00 0.00 H new ATOM 0 HH21 ARG A 38 19.886 -13.195 4.966 1.00 0.00 H new ATOM 0 HH22 ARG A 38 19.616 -14.592 3.919 1.00 0.00 H new ATOM 568 N LYS A 39 14.442 -10.064 -0.972 1.00 0.00 N ATOM 569 CA LYS A 39 13.306 -9.456 -1.656 1.00 0.00 C ATOM 570 C LYS A 39 12.291 -8.919 -0.652 1.00 0.00 C ATOM 571 O LYS A 39 11.617 -9.674 0.050 1.00 0.00 O ATOM 572 CB LYS A 39 12.636 -10.474 -2.580 1.00 0.00 C ATOM 573 CG LYS A 39 11.401 -9.937 -3.283 1.00 0.00 C ATOM 574 CD LYS A 39 11.187 -10.612 -4.628 1.00 0.00 C ATOM 575 CE LYS A 39 10.309 -11.847 -4.498 1.00 0.00 C ATOM 576 NZ LYS A 39 11.116 -13.081 -4.282 1.00 0.00 N ATOM 0 H LYS A 39 14.203 -10.865 -0.388 1.00 0.00 H new ATOM 0 HA LYS A 39 13.677 -8.623 -2.253 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.357 -10.802 -3.329 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.359 -11.353 -1.998 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.526 -10.094 -2.653 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.502 -8.861 -3.427 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.726 -9.908 -5.321 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.151 -10.892 -5.053 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.617 -11.715 -3.666 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.706 -11.960 -5.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.481 -13.901 -4.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.758 -13.221 -5.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.672 -12.984 -3.409 1.00 0.00 H new ATOM 590 N PRO A 40 12.175 -7.585 -0.581 1.00 0.00 N ATOM 591 CA PRO A 40 11.242 -6.918 0.332 1.00 0.00 C ATOM 592 C PRO A 40 9.787 -7.121 -0.076 1.00 0.00 C ATOM 593 O PRO A 40 9.327 -6.563 -1.073 1.00 0.00 O ATOM 594 CB PRO A 40 11.628 -5.441 0.219 1.00 0.00 C ATOM 595 CG PRO A 40 12.251 -5.315 -1.129 1.00 0.00 C ATOM 596 CD PRO A 40 12.946 -6.624 -1.388 1.00 0.00 C ATOM 0 HA PRO A 40 11.311 -7.314 1.345 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.755 -4.795 0.314 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.325 -5.152 1.006 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.497 -5.116 -1.890 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.958 -4.486 -1.156 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.931 -6.885 -2.446 1.00 0.00 H new ATOM 0 HD3 PRO A 40 13.992 -6.591 -1.083 1.00 0.00 H new ATOM 604 N THR A 41 9.065 -7.922 0.701 1.00 0.00 N ATOM 605 CA THR A 41 7.662 -8.199 0.420 1.00 0.00 C ATOM 606 C THR A 41 6.760 -7.122 1.012 1.00 0.00 C ATOM 607 O THR A 41 7.029 -6.600 2.094 1.00 0.00 O ATOM 608 CB THR A 41 7.238 -9.571 0.976 1.00 0.00 C ATOM 609 OG1 THR A 41 8.001 -10.610 0.352 1.00 0.00 O ATOM 610 CG2 THR A 41 5.754 -9.815 0.743 1.00 0.00 C ATOM 0 H THR A 41 9.429 -8.391 1.531 1.00 0.00 H new ATOM 0 HA THR A 41 7.552 -8.205 -0.664 1.00 0.00 H new ATOM 0 HB THR A 41 7.427 -9.577 2.050 1.00 0.00 H new ATOM 0 HG1 THR A 41 7.726 -11.479 0.712 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.478 -10.790 1.144 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.175 -9.039 1.244 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.545 -9.790 -0.326 1.00 0.00 H new ATOM 618 N ILE A 42 5.688 -6.796 0.298 1.00 0.00 N ATOM 619 CA ILE A 42 4.746 -5.782 0.754 1.00 0.00 C ATOM 620 C ILE A 42 3.388 -6.399 1.073 1.00 0.00 C ATOM 621 O ILE A 42 2.850 -7.182 0.291 1.00 0.00 O ATOM 622 CB ILE A 42 4.559 -4.672 -0.297 1.00 0.00 C ATOM 623 CG1 ILE A 42 3.622 -3.587 0.237 1.00 0.00 C ATOM 624 CG2 ILE A 42 4.018 -5.256 -1.593 1.00 0.00 C ATOM 625 CD1 ILE A 42 3.687 -2.294 -0.547 1.00 0.00 C ATOM 0 H ILE A 42 5.450 -7.220 -0.599 1.00 0.00 H new ATOM 0 HA ILE A 42 5.167 -5.345 1.660 1.00 0.00 H new ATOM 0 HB ILE A 42 5.529 -4.219 -0.503 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.599 -3.962 0.221 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.870 -3.384 1.279 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.891 -4.459 -2.326 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.719 -5.996 -1.979 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.056 -5.732 -1.404 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.997 -1.570 -0.113 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.701 -1.896 -0.510 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.410 -2.483 -1.584 1.00 0.00 H new ATOM 637 N LYS A 43 2.836 -6.037 2.227 1.00 0.00 N ATOM 638 CA LYS A 43 1.539 -6.551 2.650 1.00 0.00 C ATOM 639 C LYS A 43 0.518 -5.424 2.763 1.00 0.00 C ATOM 640 O LYS A 43 0.740 -4.442 3.471 1.00 0.00 O ATOM 641 CB LYS A 43 1.667 -7.275 3.992 1.00 0.00 C ATOM 642 CG LYS A 43 0.506 -8.206 4.295 1.00 0.00 C ATOM 643 CD LYS A 43 0.758 -9.605 3.757 1.00 0.00 C ATOM 644 CE LYS A 43 1.484 -10.471 4.776 1.00 0.00 C ATOM 645 NZ LYS A 43 0.733 -10.566 6.058 1.00 0.00 N ATOM 0 H LYS A 43 3.268 -5.389 2.886 1.00 0.00 H new ATOM 0 HA LYS A 43 1.192 -7.257 1.895 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.593 -7.849 3.998 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.745 -6.535 4.788 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.347 -8.253 5.372 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.407 -7.805 3.855 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.191 -10.071 3.492 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.349 -9.544 2.843 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.630 -11.470 4.365 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.474 -10.057 4.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.691 -11.559 6.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.215 -10.000 6.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.233 -10.205 5.922 1.00 0.00 H new ATOM 659 N TRP A 44 -0.601 -5.573 2.063 1.00 0.00 N ATOM 660 CA TRP A 44 -1.657 -4.567 2.087 1.00 0.00 C ATOM 661 C TRP A 44 -2.726 -4.925 3.114 1.00 0.00 C ATOM 662 O TRP A 44 -3.323 -6.000 3.054 1.00 0.00 O ATOM 663 CB TRP A 44 -2.289 -4.428 0.701 1.00 0.00 C ATOM 664 CG TRP A 44 -1.284 -4.218 -0.391 1.00 0.00 C ATOM 665 CD1 TRP A 44 -0.460 -5.159 -0.938 1.00 0.00 C ATOM 666 CD2 TRP A 44 -0.998 -2.989 -1.067 1.00 0.00 C ATOM 667 NE1 TRP A 44 0.322 -4.589 -1.914 1.00 0.00 N ATOM 668 CE2 TRP A 44 0.011 -3.258 -2.013 1.00 0.00 C ATOM 669 CE3 TRP A 44 -1.497 -1.687 -0.967 1.00 0.00 C ATOM 670 CZ2 TRP A 44 0.528 -2.273 -2.850 1.00 0.00 C ATOM 671 CZ3 TRP A 44 -0.982 -0.711 -1.798 1.00 0.00 C ATOM 672 CH2 TRP A 44 0.022 -1.008 -2.730 1.00 0.00 C ATOM 0 H TRP A 44 -0.801 -6.380 1.472 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.211 -3.614 2.372 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.870 -5.324 0.483 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.986 -3.590 0.710 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -0.427 -6.198 -0.647 1.00 0.00 H new ATOM 0 HE1 TRP A 44 1.021 -5.078 -2.474 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.271 -1.448 -0.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.301 -2.500 -3.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.360 0.298 -1.728 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.403 -0.223 -3.366 1.00 0.00 H new ATOM 683 N PHE A 45 -2.963 -4.017 4.055 1.00 0.00 N ATOM 684 CA PHE A 45 -3.961 -4.238 5.095 1.00 0.00 C ATOM 685 C PHE A 45 -5.052 -3.173 5.038 1.00 0.00 C ATOM 686 O PHE A 45 -4.873 -2.117 4.430 1.00 0.00 O ATOM 687 CB PHE A 45 -3.300 -4.233 6.475 1.00 0.00 C ATOM 688 CG PHE A 45 -2.520 -5.483 6.770 1.00 0.00 C ATOM 689 CD1 PHE A 45 -3.162 -6.628 7.213 1.00 0.00 C ATOM 690 CD2 PHE A 45 -1.144 -5.512 6.605 1.00 0.00 C ATOM 691 CE1 PHE A 45 -2.447 -7.779 7.485 1.00 0.00 C ATOM 692 CE2 PHE A 45 -0.424 -6.660 6.876 1.00 0.00 C ATOM 693 CZ PHE A 45 -1.076 -7.795 7.317 1.00 0.00 C ATOM 0 H PHE A 45 -2.478 -3.122 4.119 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.419 -5.212 4.922 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.634 -3.373 6.547 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.069 -4.106 7.237 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.234 -6.621 7.347 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.629 -4.627 6.261 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.960 -8.665 7.829 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.648 -6.670 6.743 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.515 -8.693 7.530 1.00 0.00 H new ATOM 703 N LYS A 46 -6.182 -3.457 5.676 1.00 0.00 N ATOM 704 CA LYS A 46 -7.303 -2.525 5.699 1.00 0.00 C ATOM 705 C LYS A 46 -8.099 -2.664 6.993 1.00 0.00 C ATOM 706 O LYS A 46 -8.135 -3.734 7.599 1.00 0.00 O ATOM 707 CB LYS A 46 -8.219 -2.765 4.497 1.00 0.00 C ATOM 708 CG LYS A 46 -9.615 -2.194 4.671 1.00 0.00 C ATOM 709 CD LYS A 46 -10.209 -1.755 3.343 1.00 0.00 C ATOM 710 CE LYS A 46 -11.339 -0.757 3.540 1.00 0.00 C ATOM 711 NZ LYS A 46 -12.488 -1.358 4.272 1.00 0.00 N ATOM 0 H LYS A 46 -6.346 -4.326 6.184 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.902 -1.513 5.645 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.763 -2.324 3.610 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.294 -3.837 4.317 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.261 -2.943 5.129 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.579 -1.344 5.353 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.430 -1.307 2.725 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.582 -2.626 2.804 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.969 0.107 4.092 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.677 -0.394 2.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.323 -1.377 3.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.248 -2.328 4.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.697 -0.789 5.117 1.00 0.00 H new ATOM 725 N GLY A 47 -8.737 -1.574 7.410 1.00 0.00 N ATOM 726 CA GLY A 47 -9.525 -1.597 8.629 1.00 0.00 C ATOM 727 C GLY A 47 -8.665 -1.681 9.874 1.00 0.00 C ATOM 728 O GLY A 47 -7.693 -0.940 10.018 1.00 0.00 O ATOM 0 H GLY A 47 -8.722 -0.676 6.926 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.141 -0.699 8.677 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.205 -2.449 8.603 1.00 0.00 H new ATOM 732 N LYS A 48 -9.023 -2.587 10.778 1.00 0.00 N ATOM 733 CA LYS A 48 -8.277 -2.767 12.018 1.00 0.00 C ATOM 734 C LYS A 48 -7.417 -4.025 11.958 1.00 0.00 C ATOM 735 O LYS A 48 -6.249 -4.007 12.346 1.00 0.00 O ATOM 736 CB LYS A 48 -9.238 -2.849 13.207 1.00 0.00 C ATOM 737 CG LYS A 48 -8.552 -2.699 14.554 1.00 0.00 C ATOM 738 CD LYS A 48 -9.559 -2.660 15.691 1.00 0.00 C ATOM 739 CE LYS A 48 -8.992 -1.958 16.915 1.00 0.00 C ATOM 740 NZ LYS A 48 -9.867 -2.128 18.108 1.00 0.00 N ATOM 0 H LYS A 48 -9.825 -3.208 10.675 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.621 -1.906 12.147 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.995 -2.072 13.106 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.758 -3.807 13.178 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.862 -3.529 14.706 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.958 -1.785 14.561 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.462 -2.146 15.361 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.850 -3.677 15.956 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.000 -2.353 17.133 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.872 -0.896 16.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.445 -1.635 18.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.806 -1.728 17.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.961 -3.140 18.328 1.00 0.00 H new ATOM 754 N TRP A 49 -8.001 -5.112 11.470 1.00 0.00 N ATOM 755 CA TRP A 49 -7.286 -6.379 11.358 1.00 0.00 C ATOM 756 C TRP A 49 -7.379 -6.933 9.941 1.00 0.00 C ATOM 757 O TRP A 49 -6.480 -7.636 9.480 1.00 0.00 O ATOM 758 CB TRP A 49 -7.848 -7.395 12.354 1.00 0.00 C ATOM 759 CG TRP A 49 -8.028 -6.838 13.733 1.00 0.00 C ATOM 760 CD1 TRP A 49 -9.192 -6.391 14.292 1.00 0.00 C ATOM 761 CD2 TRP A 49 -7.012 -6.666 14.727 1.00 0.00 C ATOM 762 NE1 TRP A 49 -8.960 -5.952 15.573 1.00 0.00 N ATOM 763 CE2 TRP A 49 -7.631 -6.111 15.864 1.00 0.00 C ATOM 764 CE3 TRP A 49 -5.640 -6.928 14.768 1.00 0.00 C ATOM 765 CZ2 TRP A 49 -6.924 -5.814 17.026 1.00 0.00 C ATOM 766 CZ3 TRP A 49 -4.939 -6.632 15.922 1.00 0.00 C ATOM 767 CH2 TRP A 49 -5.582 -6.081 17.038 1.00 0.00 C ATOM 0 H TRP A 49 -8.967 -5.143 11.145 1.00 0.00 H new ATOM 0 HA TRP A 49 -6.236 -6.197 11.589 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -8.808 -7.758 11.988 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -7.179 -8.254 12.402 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -10.153 -6.384 13.799 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -9.663 -5.570 16.205 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -5.136 -7.354 13.913 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -7.417 -5.388 17.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -3.878 -6.829 15.964 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.007 -5.863 17.926 1.00 0.00 H new ATOM 778 N MET A 50 -8.471 -6.612 9.254 1.00 0.00 N ATOM 779 CA MET A 50 -8.678 -7.077 7.888 1.00 0.00 C ATOM 780 C MET A 50 -7.391 -6.973 7.076 1.00 0.00 C ATOM 781 O MET A 50 -6.719 -5.941 7.091 1.00 0.00 O ATOM 782 CB MET A 50 -9.787 -6.268 7.214 1.00 0.00 C ATOM 783 CG MET A 50 -10.500 -7.021 6.102 1.00 0.00 C ATOM 784 SD MET A 50 -11.657 -5.982 5.189 1.00 0.00 S ATOM 785 CE MET A 50 -10.658 -5.526 3.774 1.00 0.00 C ATOM 0 H MET A 50 -9.225 -6.032 9.621 1.00 0.00 H new ATOM 0 HA MET A 50 -8.976 -8.125 7.929 1.00 0.00 H new ATOM 0 HB2 MET A 50 -10.517 -5.971 7.967 1.00 0.00 H new ATOM 0 HB3 MET A 50 -9.360 -5.352 6.805 1.00 0.00 H new ATOM 0 HG2 MET A 50 -9.761 -7.428 5.412 1.00 0.00 H new ATOM 0 HG3 MET A 50 -11.037 -7.868 6.529 1.00 0.00 H new ATOM 0 HE1 MET A 50 -10.861 -4.489 3.504 1.00 0.00 H new ATOM 0 HE2 MET A 50 -9.603 -5.637 4.023 1.00 0.00 H new ATOM 0 HE3 MET A 50 -10.902 -6.174 2.932 1.00 0.00 H new ATOM 795 N ASP A 51 -7.053 -8.046 6.370 1.00 0.00 N ATOM 796 CA ASP A 51 -5.847 -8.074 5.552 1.00 0.00 C ATOM 797 C ASP A 51 -6.194 -8.256 4.077 1.00 0.00 C ATOM 798 O ASP A 51 -6.561 -9.350 3.645 1.00 0.00 O ATOM 799 CB ASP A 51 -4.919 -9.199 6.012 1.00 0.00 C ATOM 800 CG ASP A 51 -3.573 -9.162 5.315 1.00 0.00 C ATOM 801 OD1 ASP A 51 -3.085 -8.049 5.026 1.00 0.00 O ATOM 802 OD2 ASP A 51 -3.007 -10.245 5.060 1.00 0.00 O ATOM 0 H ASP A 51 -7.598 -8.908 6.348 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.335 -7.119 5.671 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.769 -9.125 7.089 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.397 -10.160 5.822 1.00 0.00 H new ATOM 807 N LEU A 52 -6.078 -7.179 3.310 1.00 0.00 N ATOM 808 CA LEU A 52 -6.380 -7.219 1.883 1.00 0.00 C ATOM 809 C LEU A 52 -5.687 -8.400 1.212 1.00 0.00 C ATOM 810 O LEU A 52 -6.281 -9.096 0.390 1.00 0.00 O ATOM 811 CB LEU A 52 -5.949 -5.913 1.214 1.00 0.00 C ATOM 812 CG LEU A 52 -6.425 -4.625 1.887 1.00 0.00 C ATOM 813 CD1 LEU A 52 -5.784 -3.411 1.231 1.00 0.00 C ATOM 814 CD2 LEU A 52 -7.942 -4.523 1.832 1.00 0.00 C ATOM 0 H LEU A 52 -5.777 -6.266 3.652 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.457 -7.341 1.768 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.860 -5.894 1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.312 -5.918 0.186 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.120 -4.651 2.933 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.135 -2.504 1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.700 -3.478 1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.058 -3.380 0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.262 -3.600 2.316 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.269 -4.520 0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.383 -5.375 2.349 1.00 0.00 H new ATOM 826 N ALA A 53 -4.427 -8.622 1.571 1.00 0.00 N ATOM 827 CA ALA A 53 -3.654 -9.721 1.008 1.00 0.00 C ATOM 828 C ALA A 53 -4.495 -10.990 0.910 1.00 0.00 C ATOM 829 O ALA A 53 -4.415 -11.724 -0.075 1.00 0.00 O ATOM 830 CB ALA A 53 -2.409 -9.975 1.844 1.00 0.00 C ATOM 0 H ALA A 53 -3.920 -8.054 2.250 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.350 -9.438 0.000 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.842 -10.799 1.411 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.791 -9.077 1.859 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.701 -10.231 2.863 1.00 0.00 H new ATOM 836 N SER A 54 -5.300 -11.241 1.936 1.00 0.00 N ATOM 837 CA SER A 54 -6.153 -12.424 1.968 1.00 0.00 C ATOM 838 C SER A 54 -7.359 -12.248 1.050 1.00 0.00 C ATOM 839 O SER A 54 -7.851 -13.210 0.460 1.00 0.00 O ATOM 840 CB SER A 54 -6.622 -12.703 3.397 1.00 0.00 C ATOM 841 OG SER A 54 -7.353 -13.915 3.466 1.00 0.00 O ATOM 0 H SER A 54 -5.380 -10.641 2.757 1.00 0.00 H new ATOM 0 HA SER A 54 -5.568 -13.273 1.614 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.760 -12.756 4.062 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.244 -11.879 3.746 1.00 0.00 H new ATOM 0 HG SER A 54 -7.640 -14.072 4.390 1.00 0.00 H new ATOM 847 N LYS A 55 -7.831 -11.011 0.934 1.00 0.00 N ATOM 848 CA LYS A 55 -8.979 -10.706 0.087 1.00 0.00 C ATOM 849 C LYS A 55 -8.623 -10.859 -1.388 1.00 0.00 C ATOM 850 O LYS A 55 -9.461 -11.246 -2.201 1.00 0.00 O ATOM 851 CB LYS A 55 -9.475 -9.284 0.358 1.00 0.00 C ATOM 852 CG LYS A 55 -9.782 -9.016 1.821 1.00 0.00 C ATOM 853 CD LYS A 55 -11.026 -9.761 2.275 1.00 0.00 C ATOM 854 CE LYS A 55 -11.369 -9.444 3.723 1.00 0.00 C ATOM 855 NZ LYS A 55 -12.583 -10.176 4.178 1.00 0.00 N ATOM 0 H LYS A 55 -7.436 -10.203 1.416 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.773 -11.413 0.326 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.721 -8.574 0.018 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.373 -9.103 -0.232 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.932 -9.318 2.433 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.921 -7.946 1.974 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.866 -9.493 1.634 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.870 -10.834 2.164 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.526 -9.707 4.362 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.529 -8.371 3.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.784 -9.933 5.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.394 -9.907 3.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.421 -11.200 4.098 1.00 0.00 H new ATOM 869 N ALA A 56 -7.374 -10.554 -1.725 1.00 0.00 N ATOM 870 CA ALA A 56 -6.907 -10.661 -3.102 1.00 0.00 C ATOM 871 C ALA A 56 -7.168 -12.055 -3.663 1.00 0.00 C ATOM 872 O ALA A 56 -6.512 -13.022 -3.280 1.00 0.00 O ATOM 873 CB ALA A 56 -5.425 -10.327 -3.184 1.00 0.00 C ATOM 0 H ALA A 56 -6.668 -10.231 -1.064 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.464 -9.944 -3.705 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.090 -10.411 -4.218 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.261 -9.309 -2.831 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.861 -11.022 -2.562 1.00 0.00 H new ATOM 879 N GLY A 57 -8.132 -12.150 -4.574 1.00 0.00 N ATOM 880 CA GLY A 57 -8.463 -13.430 -5.173 1.00 0.00 C ATOM 881 C GLY A 57 -9.077 -13.283 -6.551 1.00 0.00 C ATOM 882 O GLY A 57 -8.596 -13.872 -7.519 1.00 0.00 O ATOM 0 H GLY A 57 -8.689 -11.364 -4.908 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.562 -14.039 -5.243 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.158 -13.963 -4.524 1.00 0.00 H new ATOM 886 N LYS A 58 -10.144 -12.497 -6.641 1.00 0.00 N ATOM 887 CA LYS A 58 -10.826 -12.274 -7.911 1.00 0.00 C ATOM 888 C LYS A 58 -11.100 -10.789 -8.128 1.00 0.00 C ATOM 889 O LYS A 58 -10.617 -10.193 -9.092 1.00 0.00 O ATOM 890 CB LYS A 58 -12.140 -13.057 -7.951 1.00 0.00 C ATOM 891 CG LYS A 58 -12.920 -12.870 -9.241 1.00 0.00 C ATOM 892 CD LYS A 58 -13.833 -14.053 -9.517 1.00 0.00 C ATOM 893 CE LYS A 58 -15.045 -14.049 -8.599 1.00 0.00 C ATOM 894 NZ LYS A 58 -16.045 -15.079 -8.995 1.00 0.00 N ATOM 0 H LYS A 58 -10.556 -12.003 -5.849 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.175 -12.626 -8.712 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.926 -14.117 -7.816 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.763 -12.748 -7.111 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.513 -11.958 -9.179 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.226 -12.743 -10.072 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.162 -14.025 -10.556 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.278 -14.981 -9.384 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.724 -14.230 -7.573 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.511 -13.064 -8.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -16.856 -15.044 -8.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.371 -14.892 -9.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -15.608 -16.022 -8.953 1.00 0.00 H new ATOM 908 N HIS A 59 -11.877 -10.197 -7.227 1.00 0.00 N ATOM 909 CA HIS A 59 -12.213 -8.781 -7.319 1.00 0.00 C ATOM 910 C HIS A 59 -10.979 -7.913 -7.086 1.00 0.00 C ATOM 911 O HIS A 59 -10.879 -6.804 -7.611 1.00 0.00 O ATOM 912 CB HIS A 59 -13.300 -8.425 -6.305 1.00 0.00 C ATOM 913 CG HIS A 59 -14.630 -9.041 -6.613 1.00 0.00 C ATOM 914 ND1 HIS A 59 -15.616 -8.388 -7.322 1.00 0.00 N ATOM 915 CD2 HIS A 59 -15.135 -10.259 -6.304 1.00 0.00 C ATOM 916 CE1 HIS A 59 -16.670 -9.177 -7.435 1.00 0.00 C ATOM 917 NE2 HIS A 59 -16.403 -10.318 -6.827 1.00 0.00 N ATOM 0 H HIS A 59 -12.286 -10.676 -6.425 1.00 0.00 H new ATOM 0 HA HIS A 59 -12.588 -8.587 -8.324 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -12.980 -8.747 -5.314 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -13.410 -7.341 -6.268 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.634 -11.039 -5.750 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -17.593 -8.930 -7.939 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -17.036 -11.115 -6.757 1.00 0.00 H new ATOM 926 N LEU A 60 -10.043 -8.425 -6.294 1.00 0.00 N ATOM 927 CA LEU A 60 -8.816 -7.697 -5.990 1.00 0.00 C ATOM 928 C LEU A 60 -7.591 -8.478 -6.454 1.00 0.00 C ATOM 929 O LEU A 60 -7.566 -9.707 -6.392 1.00 0.00 O ATOM 930 CB LEU A 60 -8.722 -7.423 -4.488 1.00 0.00 C ATOM 931 CG LEU A 60 -7.367 -6.928 -3.980 1.00 0.00 C ATOM 932 CD1 LEU A 60 -7.314 -5.408 -3.998 1.00 0.00 C ATOM 933 CD2 LEU A 60 -7.098 -7.456 -2.579 1.00 0.00 C ATOM 0 H LEU A 60 -10.110 -9.341 -5.851 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.843 -6.748 -6.525 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.478 -6.683 -4.226 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.975 -8.340 -3.955 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.590 -7.306 -4.645 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.343 -5.073 -3.633 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.462 -5.051 -5.017 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.100 -5.009 -3.356 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.130 -7.094 -2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.878 -7.107 -1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.093 -8.546 -2.596 1.00 0.00 H new ATOM 945 N GLN A 61 -6.575 -7.756 -6.916 1.00 0.00 N ATOM 946 CA GLN A 61 -5.346 -8.381 -7.388 1.00 0.00 C ATOM 947 C GLN A 61 -4.144 -7.476 -7.141 1.00 0.00 C ATOM 948 O GLN A 61 -4.126 -6.320 -7.567 1.00 0.00 O ATOM 949 CB GLN A 61 -5.455 -8.708 -8.879 1.00 0.00 C ATOM 950 CG GLN A 61 -6.560 -9.699 -9.205 1.00 0.00 C ATOM 951 CD GLN A 61 -6.130 -11.139 -9.006 1.00 0.00 C ATOM 952 OE1 GLN A 61 -5.378 -11.691 -9.809 1.00 0.00 O ATOM 953 NE2 GLN A 61 -6.606 -11.755 -7.930 1.00 0.00 N ATOM 0 H GLN A 61 -6.579 -6.738 -6.973 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.202 -9.306 -6.829 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.630 -7.786 -9.433 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.503 -9.111 -9.225 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.426 -9.492 -8.576 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.876 -9.558 -10.239 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.227 -11.258 -7.291 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.351 -12.725 -7.743 1.00 0.00 H new ATOM 962 N LEU A 62 -3.142 -8.007 -6.449 1.00 0.00 N ATOM 963 CA LEU A 62 -1.935 -7.246 -6.144 1.00 0.00 C ATOM 964 C LEU A 62 -0.875 -7.452 -7.221 1.00 0.00 C ATOM 965 O LEU A 62 -0.970 -8.372 -8.033 1.00 0.00 O ATOM 966 CB LEU A 62 -1.380 -7.659 -4.780 1.00 0.00 C ATOM 967 CG LEU A 62 -2.397 -7.757 -3.643 1.00 0.00 C ATOM 968 CD1 LEU A 62 -1.736 -8.285 -2.379 1.00 0.00 C ATOM 969 CD2 LEU A 62 -3.041 -6.403 -3.384 1.00 0.00 C ATOM 0 H LEU A 62 -3.141 -8.961 -6.089 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.198 -6.189 -6.117 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.891 -8.627 -4.887 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.610 -6.943 -4.491 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.178 -8.457 -3.940 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.476 -8.348 -1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.324 -9.276 -2.571 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.934 -7.610 -2.079 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.762 -6.492 -2.571 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.272 -5.681 -3.109 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.551 -6.064 -4.286 1.00 0.00 H new ATOM 981 N LYS A 63 0.136 -6.590 -7.220 1.00 0.00 N ATOM 982 CA LYS A 63 1.218 -6.678 -8.194 1.00 0.00 C ATOM 983 C LYS A 63 2.569 -6.430 -7.531 1.00 0.00 C ATOM 984 O LYS A 63 2.675 -5.635 -6.599 1.00 0.00 O ATOM 985 CB LYS A 63 0.999 -5.668 -9.323 1.00 0.00 C ATOM 986 CG LYS A 63 1.481 -6.156 -10.678 1.00 0.00 C ATOM 987 CD LYS A 63 0.648 -5.577 -11.809 1.00 0.00 C ATOM 988 CE LYS A 63 -0.574 -6.435 -12.097 1.00 0.00 C ATOM 989 NZ LYS A 63 -1.448 -6.577 -10.899 1.00 0.00 N ATOM 0 H LYS A 63 0.229 -5.822 -6.555 1.00 0.00 H new ATOM 0 HA LYS A 63 1.217 -7.685 -8.610 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.063 -5.433 -9.388 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.516 -4.741 -9.075 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.526 -5.877 -10.815 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.434 -7.244 -10.711 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.332 -4.567 -11.549 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.259 -5.498 -12.708 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.145 -5.991 -12.912 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.254 -7.422 -12.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.340 -7.037 -11.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.965 -7.157 -10.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.650 -5.637 -10.503 1.00 0.00 H new ATOM 1003 N GLU A 64 3.598 -7.116 -8.020 1.00 0.00 N ATOM 1004 CA GLU A 64 4.942 -6.968 -7.474 1.00 0.00 C ATOM 1005 C GLU A 64 5.996 -7.270 -8.535 1.00 0.00 C ATOM 1006 O GLU A 64 5.964 -8.320 -9.179 1.00 0.00 O ATOM 1007 CB GLU A 64 5.132 -7.894 -6.271 1.00 0.00 C ATOM 1008 CG GLU A 64 6.589 -8.150 -5.925 1.00 0.00 C ATOM 1009 CD GLU A 64 6.785 -8.537 -4.472 1.00 0.00 C ATOM 1010 OE1 GLU A 64 5.947 -8.142 -3.635 1.00 0.00 O ATOM 1011 OE2 GLU A 64 7.776 -9.235 -4.173 1.00 0.00 O ATOM 0 H GLU A 64 3.526 -7.779 -8.792 1.00 0.00 H new ATOM 0 HA GLU A 64 5.064 -5.934 -7.150 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.633 -7.459 -5.405 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.643 -8.846 -6.475 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.976 -8.944 -6.564 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.172 -7.255 -6.140 1.00 0.00 H new ATOM 1018 N THR A 65 6.932 -6.343 -8.713 1.00 0.00 N ATOM 1019 CA THR A 65 7.995 -6.508 -9.696 1.00 0.00 C ATOM 1020 C THR A 65 9.329 -6.010 -9.151 1.00 0.00 C ATOM 1021 O THR A 65 9.379 -5.335 -8.123 1.00 0.00 O ATOM 1022 CB THR A 65 7.675 -5.756 -11.002 1.00 0.00 C ATOM 1023 OG1 THR A 65 8.582 -6.159 -12.033 1.00 0.00 O ATOM 1024 CG2 THR A 65 7.766 -4.252 -10.797 1.00 0.00 C ATOM 0 H THR A 65 6.975 -5.469 -8.188 1.00 0.00 H new ATOM 0 HA THR A 65 8.067 -7.575 -9.908 1.00 0.00 H new ATOM 0 HB THR A 65 6.656 -6.004 -11.298 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.371 -5.678 -12.860 1.00 0.00 H new ATOM 0 HG21 THR A 65 7.536 -3.743 -11.733 1.00 0.00 H new ATOM 0 HG22 THR A 65 7.053 -3.945 -10.032 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.775 -3.989 -10.479 1.00 0.00 H new ATOM 1032 N PHE A 66 10.410 -6.348 -9.847 1.00 0.00 N ATOM 1033 CA PHE A 66 11.746 -5.935 -9.433 1.00 0.00 C ATOM 1034 C PHE A 66 12.542 -5.399 -10.619 1.00 0.00 C ATOM 1035 O PHE A 66 12.414 -5.893 -11.739 1.00 0.00 O ATOM 1036 CB PHE A 66 12.490 -7.110 -8.793 1.00 0.00 C ATOM 1037 CG PHE A 66 13.942 -6.829 -8.533 1.00 0.00 C ATOM 1038 CD1 PHE A 66 14.328 -6.038 -7.463 1.00 0.00 C ATOM 1039 CD2 PHE A 66 14.922 -7.355 -9.360 1.00 0.00 C ATOM 1040 CE1 PHE A 66 15.664 -5.778 -7.221 1.00 0.00 C ATOM 1041 CE2 PHE A 66 16.259 -7.099 -9.122 1.00 0.00 C ATOM 1042 CZ PHE A 66 16.630 -6.309 -8.052 1.00 0.00 C ATOM 0 H PHE A 66 10.387 -6.907 -10.700 1.00 0.00 H new ATOM 0 HA PHE A 66 11.641 -5.136 -8.699 1.00 0.00 H new ATOM 0 HB2 PHE A 66 12.004 -7.369 -7.852 1.00 0.00 H new ATOM 0 HB3 PHE A 66 12.407 -7.980 -9.444 1.00 0.00 H new ATOM 0 HD1 PHE A 66 13.576 -5.620 -6.810 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.638 -7.972 -10.200 1.00 0.00 H new ATOM 0 HE1 PHE A 66 15.952 -5.160 -6.383 1.00 0.00 H new ATOM 0 HE2 PHE A 66 17.013 -7.517 -9.773 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.674 -6.107 -7.866 1.00 0.00 H new ATOM 1052 N GLU A 67 13.364 -4.386 -10.363 1.00 0.00 N ATOM 1053 CA GLU A 67 14.180 -3.782 -11.410 1.00 0.00 C ATOM 1054 C GLU A 67 15.643 -3.707 -10.984 1.00 0.00 C ATOM 1055 O GLU A 67 16.065 -2.745 -10.341 1.00 0.00 O ATOM 1056 CB GLU A 67 13.662 -2.382 -11.747 1.00 0.00 C ATOM 1057 CG GLU A 67 12.514 -2.381 -12.742 1.00 0.00 C ATOM 1058 CD GLU A 67 12.236 -1.003 -13.310 1.00 0.00 C ATOM 1059 OE1 GLU A 67 11.625 -0.179 -12.599 1.00 0.00 O ATOM 1060 OE2 GLU A 67 12.632 -0.748 -14.467 1.00 0.00 O ATOM 0 H GLU A 67 13.482 -3.967 -9.441 1.00 0.00 H new ATOM 0 HA GLU A 67 14.110 -4.410 -12.298 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.336 -1.894 -10.829 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.482 -1.788 -12.150 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.744 -3.066 -13.558 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.615 -2.757 -12.254 1.00 0.00 H new ATOM 1067 N ARG A 68 16.412 -4.728 -11.346 1.00 0.00 N ATOM 1068 CA ARG A 68 17.827 -4.779 -11.000 1.00 0.00 C ATOM 1069 C ARG A 68 18.531 -3.485 -11.397 1.00 0.00 C ATOM 1070 O ARG A 68 19.440 -3.023 -10.706 1.00 0.00 O ATOM 1071 CB ARG A 68 18.500 -5.969 -11.688 1.00 0.00 C ATOM 1072 CG ARG A 68 17.901 -6.307 -13.044 1.00 0.00 C ATOM 1073 CD ARG A 68 16.836 -7.386 -12.929 1.00 0.00 C ATOM 1074 NE ARG A 68 17.395 -8.726 -13.089 1.00 0.00 N ATOM 1075 CZ ARG A 68 16.681 -9.779 -13.472 1.00 0.00 C ATOM 1076 NH1 ARG A 68 15.388 -9.648 -13.732 1.00 0.00 N ATOM 1077 NH2 ARG A 68 17.262 -10.966 -13.595 1.00 0.00 N ATOM 0 H ARG A 68 16.079 -5.531 -11.879 1.00 0.00 H new ATOM 0 HA ARG A 68 17.906 -4.899 -9.920 1.00 0.00 H new ATOM 0 HB2 ARG A 68 19.561 -5.753 -11.813 1.00 0.00 H new ATOM 0 HB3 ARG A 68 18.426 -6.842 -11.040 1.00 0.00 H new ATOM 0 HG2 ARG A 68 17.466 -5.410 -13.484 1.00 0.00 H new ATOM 0 HG3 ARG A 68 18.689 -6.643 -13.718 1.00 0.00 H new ATOM 0 HD2 ARG A 68 16.347 -7.311 -11.958 1.00 0.00 H new ATOM 0 HD3 ARG A 68 16.069 -7.220 -13.686 1.00 0.00 H new ATOM 0 HE ARG A 68 18.388 -8.861 -12.896 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.939 -8.737 -13.638 1.00 0.00 H new ATOM 0 HH12 ARG A 68 14.842 -10.458 -14.026 1.00 0.00 H new ATOM 0 HH21 ARG A 68 18.257 -11.070 -13.395 1.00 0.00 H new ATOM 0 HH22 ARG A 68 16.714 -11.774 -13.889 1.00 0.00 H new ATOM 1091 N HIS A 69 18.104 -2.903 -12.513 1.00 0.00 N ATOM 1092 CA HIS A 69 18.693 -1.661 -13.002 1.00 0.00 C ATOM 1093 C HIS A 69 19.000 -0.714 -11.846 1.00 0.00 C ATOM 1094 O HIS A 69 20.149 -0.327 -11.635 1.00 0.00 O ATOM 1095 CB HIS A 69 17.751 -0.982 -13.997 1.00 0.00 C ATOM 1096 CG HIS A 69 16.915 -1.945 -14.782 1.00 0.00 C ATOM 1097 ND1 HIS A 69 17.383 -3.167 -15.219 1.00 0.00 N ATOM 1098 CD2 HIS A 69 15.633 -1.861 -15.208 1.00 0.00 C ATOM 1099 CE1 HIS A 69 16.425 -3.792 -15.880 1.00 0.00 C ATOM 1100 NE2 HIS A 69 15.352 -3.021 -15.888 1.00 0.00 N ATOM 0 H HIS A 69 17.352 -3.271 -13.096 1.00 0.00 H new ATOM 0 HA HIS A 69 19.628 -1.905 -13.507 1.00 0.00 H new ATOM 0 HB2 HIS A 69 17.094 -0.300 -13.456 1.00 0.00 H new ATOM 0 HB3 HIS A 69 18.339 -0.377 -14.687 1.00 0.00 H new ATOM 0 HD2 HIS A 69 14.957 -1.035 -15.044 1.00 0.00 H new ATOM 0 HE1 HIS A 69 16.505 -4.768 -16.336 1.00 0.00 H new ATOM 0 HE2 HIS A 69 14.460 -3.250 -16.327 1.00 0.00 H new ATOM 1109 N SER A 70 17.963 -0.343 -11.100 1.00 0.00 N ATOM 1110 CA SER A 70 18.121 0.563 -9.968 1.00 0.00 C ATOM 1111 C SER A 70 18.081 -0.203 -8.650 1.00 0.00 C ATOM 1112 O SER A 70 18.318 0.363 -7.583 1.00 0.00 O ATOM 1113 CB SER A 70 17.025 1.629 -9.985 1.00 0.00 C ATOM 1114 OG SER A 70 15.771 1.077 -9.624 1.00 0.00 O ATOM 0 H SER A 70 17.005 -0.656 -11.259 1.00 0.00 H new ATOM 0 HA SER A 70 19.092 1.049 -10.056 1.00 0.00 H new ATOM 0 HB2 SER A 70 17.284 2.432 -9.296 1.00 0.00 H new ATOM 0 HB3 SER A 70 16.959 2.071 -10.979 1.00 0.00 H new ATOM 0 HG SER A 70 15.087 1.779 -9.641 1.00 0.00 H new ATOM 1120 N ARG A 71 17.781 -1.495 -8.732 1.00 0.00 N ATOM 1121 CA ARG A 71 17.708 -2.340 -7.546 1.00 0.00 C ATOM 1122 C ARG A 71 16.558 -1.909 -6.641 1.00 0.00 C ATOM 1123 O ARG A 71 16.726 -1.766 -5.430 1.00 0.00 O ATOM 1124 CB ARG A 71 19.027 -2.284 -6.773 1.00 0.00 C ATOM 1125 CG ARG A 71 20.239 -2.664 -7.608 1.00 0.00 C ATOM 1126 CD ARG A 71 21.342 -3.263 -6.749 1.00 0.00 C ATOM 1127 NE ARG A 71 22.668 -3.014 -7.309 1.00 0.00 N ATOM 1128 CZ ARG A 71 23.260 -1.826 -7.295 1.00 0.00 C ATOM 1129 NH1 ARG A 71 22.648 -0.782 -6.751 1.00 0.00 N ATOM 1130 NH2 ARG A 71 24.468 -1.678 -7.824 1.00 0.00 N ATOM 0 H ARG A 71 17.584 -1.980 -9.608 1.00 0.00 H new ATOM 0 HA ARG A 71 17.527 -3.365 -7.871 1.00 0.00 H new ATOM 0 HB2 ARG A 71 19.167 -1.276 -6.383 1.00 0.00 H new ATOM 0 HB3 ARG A 71 18.964 -2.953 -5.914 1.00 0.00 H new ATOM 0 HG2 ARG A 71 19.944 -3.380 -8.375 1.00 0.00 H new ATOM 0 HG3 ARG A 71 20.617 -1.782 -8.125 1.00 0.00 H new ATOM 0 HD2 ARG A 71 21.288 -2.843 -5.745 1.00 0.00 H new ATOM 0 HD3 ARG A 71 21.184 -4.337 -6.654 1.00 0.00 H new ATOM 0 HE ARG A 71 23.166 -3.796 -7.734 1.00 0.00 H new ATOM 0 HH11 ARG A 71 21.720 -0.891 -6.342 1.00 0.00 H new ATOM 0 HH12 ARG A 71 23.106 0.130 -6.742 1.00 0.00 H new ATOM 0 HH21 ARG A 71 24.943 -2.478 -8.242 1.00 0.00 H new ATOM 0 HH22 ARG A 71 24.921 -0.764 -7.812 1.00 0.00 H new ATOM 1144 N VAL A 72 15.388 -1.704 -7.238 1.00 0.00 N ATOM 1145 CA VAL A 72 14.209 -1.290 -6.486 1.00 0.00 C ATOM 1146 C VAL A 72 12.985 -2.105 -6.890 1.00 0.00 C ATOM 1147 O VAL A 72 12.711 -2.286 -8.077 1.00 0.00 O ATOM 1148 CB VAL A 72 13.906 0.206 -6.695 1.00 0.00 C ATOM 1149 CG1 VAL A 72 12.630 0.600 -5.967 1.00 0.00 C ATOM 1150 CG2 VAL A 72 15.079 1.056 -6.230 1.00 0.00 C ATOM 0 H VAL A 72 15.231 -1.818 -8.239 1.00 0.00 H new ATOM 0 HA VAL A 72 14.428 -1.466 -5.433 1.00 0.00 H new ATOM 0 HB VAL A 72 13.757 0.383 -7.760 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.433 1.660 -6.126 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.796 0.014 -6.352 1.00 0.00 H new ATOM 0 HG13 VAL A 72 12.746 0.409 -4.900 1.00 0.00 H new ATOM 0 HG21 VAL A 72 14.848 2.110 -6.385 1.00 0.00 H new ATOM 0 HG22 VAL A 72 15.261 0.876 -5.171 1.00 0.00 H new ATOM 0 HG23 VAL A 72 15.969 0.792 -6.801 1.00 0.00 H new ATOM 1160 N TYR A 73 12.254 -2.596 -5.896 1.00 0.00 N ATOM 1161 CA TYR A 73 11.060 -3.394 -6.147 1.00 0.00 C ATOM 1162 C TYR A 73 9.823 -2.507 -6.251 1.00 0.00 C ATOM 1163 O TYR A 73 9.491 -1.773 -5.320 1.00 0.00 O ATOM 1164 CB TYR A 73 10.869 -4.427 -5.035 1.00 0.00 C ATOM 1165 CG TYR A 73 11.967 -5.465 -4.977 1.00 0.00 C ATOM 1166 CD1 TYR A 73 13.243 -5.132 -4.541 1.00 0.00 C ATOM 1167 CD2 TYR A 73 11.728 -6.780 -5.358 1.00 0.00 C ATOM 1168 CE1 TYR A 73 14.249 -6.077 -4.488 1.00 0.00 C ATOM 1169 CE2 TYR A 73 12.727 -7.732 -5.307 1.00 0.00 C ATOM 1170 CZ TYR A 73 13.987 -7.375 -4.871 1.00 0.00 C ATOM 1171 OH TYR A 73 14.986 -8.320 -4.818 1.00 0.00 O ATOM 0 H TYR A 73 12.467 -2.455 -4.909 1.00 0.00 H new ATOM 0 HA TYR A 73 11.193 -3.912 -7.097 1.00 0.00 H new ATOM 0 HB2 TYR A 73 10.818 -3.911 -4.076 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.913 -4.930 -5.178 1.00 0.00 H new ATOM 0 HD1 TYR A 73 13.452 -4.117 -4.238 1.00 0.00 H new ATOM 0 HD2 TYR A 73 10.743 -7.062 -5.700 1.00 0.00 H new ATOM 0 HE1 TYR A 73 15.236 -5.800 -4.148 1.00 0.00 H new ATOM 0 HE2 TYR A 73 12.524 -8.750 -5.606 1.00 0.00 H new ATOM 0 HH TYR A 73 15.291 -8.422 -3.892 1.00 0.00 H new ATOM 1181 N THR A 74 9.144 -2.582 -7.391 1.00 0.00 N ATOM 1182 CA THR A 74 7.944 -1.787 -7.619 1.00 0.00 C ATOM 1183 C THR A 74 6.684 -2.613 -7.387 1.00 0.00 C ATOM 1184 O THR A 74 6.334 -3.471 -8.198 1.00 0.00 O ATOM 1185 CB THR A 74 7.912 -1.214 -9.049 1.00 0.00 C ATOM 1186 OG1 THR A 74 9.115 -0.482 -9.309 1.00 0.00 O ATOM 1187 CG2 THR A 74 6.707 -0.306 -9.241 1.00 0.00 C ATOM 0 H THR A 74 9.405 -3.185 -8.171 1.00 0.00 H new ATOM 0 HA THR A 74 7.972 -0.963 -6.906 1.00 0.00 H new ATOM 0 HB THR A 74 7.835 -2.046 -9.749 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.089 -0.122 -10.220 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.706 0.087 -10.258 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.793 -0.874 -9.070 1.00 0.00 H new ATOM 0 HG23 THR A 74 6.758 0.521 -8.533 1.00 0.00 H new ATOM 1195 N PHE A 75 6.005 -2.350 -6.276 1.00 0.00 N ATOM 1196 CA PHE A 75 4.783 -3.070 -5.937 1.00 0.00 C ATOM 1197 C PHE A 75 3.552 -2.210 -6.207 1.00 0.00 C ATOM 1198 O PHE A 75 3.596 -0.987 -6.078 1.00 0.00 O ATOM 1199 CB PHE A 75 4.808 -3.497 -4.468 1.00 0.00 C ATOM 1200 CG PHE A 75 6.160 -3.954 -3.999 1.00 0.00 C ATOM 1201 CD1 PHE A 75 6.633 -5.213 -4.330 1.00 0.00 C ATOM 1202 CD2 PHE A 75 6.957 -3.124 -3.228 1.00 0.00 C ATOM 1203 CE1 PHE A 75 7.877 -5.637 -3.901 1.00 0.00 C ATOM 1204 CE2 PHE A 75 8.202 -3.542 -2.796 1.00 0.00 C ATOM 1205 CZ PHE A 75 8.662 -4.800 -3.132 1.00 0.00 C ATOM 0 H PHE A 75 6.280 -1.643 -5.594 1.00 0.00 H new ATOM 0 HA PHE A 75 4.729 -3.959 -6.566 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.481 -2.661 -3.849 1.00 0.00 H new ATOM 0 HB3 PHE A 75 4.089 -4.303 -4.320 1.00 0.00 H new ATOM 0 HD1 PHE A 75 6.023 -5.871 -4.930 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.602 -2.139 -2.961 1.00 0.00 H new ATOM 0 HE1 PHE A 75 8.234 -6.621 -4.167 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.814 -2.885 -2.196 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.634 -5.129 -2.794 1.00 0.00 H new ATOM 1215 N GLU A 76 2.455 -2.860 -6.584 1.00 0.00 N ATOM 1216 CA GLU A 76 1.212 -2.154 -6.874 1.00 0.00 C ATOM 1217 C GLU A 76 0.010 -2.928 -6.341 1.00 0.00 C ATOM 1218 O GLU A 76 0.134 -4.082 -5.931 1.00 0.00 O ATOM 1219 CB GLU A 76 1.064 -1.936 -8.382 1.00 0.00 C ATOM 1220 CG GLU A 76 2.292 -1.320 -9.031 1.00 0.00 C ATOM 1221 CD GLU A 76 2.297 -1.481 -10.539 1.00 0.00 C ATOM 1222 OE1 GLU A 76 1.267 -1.170 -11.173 1.00 0.00 O ATOM 1223 OE2 GLU A 76 3.332 -1.918 -11.085 1.00 0.00 O ATOM 0 H GLU A 76 2.402 -3.872 -6.696 1.00 0.00 H new ATOM 0 HA GLU A 76 1.249 -1.185 -6.375 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.852 -2.892 -8.860 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.205 -1.291 -8.565 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.337 -0.260 -8.782 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.188 -1.782 -8.617 1.00 0.00 H new ATOM 1230 N MET A 77 -1.152 -2.283 -6.349 1.00 0.00 N ATOM 1231 CA MET A 77 -2.377 -2.911 -5.867 1.00 0.00 C ATOM 1232 C MET A 77 -3.533 -2.656 -6.829 1.00 0.00 C ATOM 1233 O MET A 77 -4.118 -1.573 -6.836 1.00 0.00 O ATOM 1234 CB MET A 77 -2.731 -2.385 -4.475 1.00 0.00 C ATOM 1235 CG MET A 77 -3.990 -3.006 -3.892 1.00 0.00 C ATOM 1236 SD MET A 77 -4.072 -2.857 -2.097 1.00 0.00 S ATOM 1237 CE MET A 77 -4.640 -1.167 -1.923 1.00 0.00 C ATOM 0 H MET A 77 -1.271 -1.327 -6.684 1.00 0.00 H new ATOM 0 HA MET A 77 -2.206 -3.986 -5.809 1.00 0.00 H new ATOM 0 HB2 MET A 77 -1.896 -2.575 -3.801 1.00 0.00 H new ATOM 0 HB3 MET A 77 -2.859 -1.304 -4.526 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.864 -2.527 -4.333 1.00 0.00 H new ATOM 0 HG3 MET A 77 -4.032 -4.060 -4.167 1.00 0.00 H new ATOM 0 HE1 MET A 77 -4.960 -0.995 -0.895 1.00 0.00 H new ATOM 0 HE2 MET A 77 -3.828 -0.483 -2.170 1.00 0.00 H new ATOM 0 HE3 MET A 77 -5.478 -0.994 -2.598 1.00 0.00 H new ATOM 1247 N GLN A 78 -3.857 -3.660 -7.638 1.00 0.00 N ATOM 1248 CA GLN A 78 -4.943 -3.542 -8.604 1.00 0.00 C ATOM 1249 C GLN A 78 -6.267 -3.986 -7.991 1.00 0.00 C ATOM 1250 O GLN A 78 -6.460 -5.165 -7.694 1.00 0.00 O ATOM 1251 CB GLN A 78 -4.638 -4.377 -9.849 1.00 0.00 C ATOM 1252 CG GLN A 78 -5.058 -3.707 -11.148 1.00 0.00 C ATOM 1253 CD GLN A 78 -4.806 -4.579 -12.362 1.00 0.00 C ATOM 1254 OE1 GLN A 78 -3.568 -5.033 -12.519 1.00 0.00 O flip ATOM 1255 NE2 GLN A 78 -5.714 -4.842 -13.150 1.00 0.00 N flip ATOM 0 H GLN A 78 -3.383 -4.563 -7.644 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.030 -2.494 -8.890 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.568 -4.583 -9.885 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -5.145 -5.338 -9.765 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -6.118 -3.458 -11.098 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.515 -2.768 -11.260 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -6.651 -4.472 -12.991 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -5.530 -5.430 -13.963 1.00 0.00 H new ATOM 1264 N ILE A 79 -7.175 -3.034 -7.803 1.00 0.00 N ATOM 1265 CA ILE A 79 -8.481 -3.328 -7.226 1.00 0.00 C ATOM 1266 C ILE A 79 -9.567 -3.328 -8.296 1.00 0.00 C ATOM 1267 O ILE A 79 -9.854 -2.296 -8.903 1.00 0.00 O ATOM 1268 CB ILE A 79 -8.854 -2.312 -6.131 1.00 0.00 C ATOM 1269 CG1 ILE A 79 -7.756 -2.248 -5.068 1.00 0.00 C ATOM 1270 CG2 ILE A 79 -10.189 -2.678 -5.501 1.00 0.00 C ATOM 1271 CD1 ILE A 79 -8.263 -1.856 -3.698 1.00 0.00 C ATOM 0 H ILE A 79 -7.030 -2.053 -8.042 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.413 -4.321 -6.781 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.948 -1.327 -6.588 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.269 -3.221 -5.001 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.997 -1.532 -5.384 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.439 -1.950 -4.729 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -10.965 -2.676 -6.266 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -10.121 -3.671 -5.056 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.430 -1.831 -2.995 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.724 -0.870 -3.749 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -9.000 -2.584 -3.361 1.00 0.00 H new ATOM 1283 N ILE A 80 -10.169 -4.491 -8.521 1.00 0.00 N ATOM 1284 CA ILE A 80 -11.226 -4.624 -9.515 1.00 0.00 C ATOM 1285 C ILE A 80 -12.603 -4.618 -8.859 1.00 0.00 C ATOM 1286 O ILE A 80 -12.834 -5.313 -7.870 1.00 0.00 O ATOM 1287 CB ILE A 80 -11.068 -5.917 -10.336 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -9.592 -6.165 -10.658 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -11.888 -5.837 -11.615 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -8.905 -7.084 -9.671 1.00 0.00 C ATOM 0 H ILE A 80 -9.942 -5.355 -8.028 1.00 0.00 H new ATOM 0 HA ILE A 80 -11.140 -3.766 -10.182 1.00 0.00 H new ATOM 0 HB ILE A 80 -11.437 -6.754 -9.743 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.513 -6.594 -11.657 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.067 -5.210 -10.679 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.765 -6.759 -12.184 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -12.940 -5.702 -11.365 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -11.547 -4.993 -12.214 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -7.862 -7.215 -9.961 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -8.952 -6.647 -8.673 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -9.405 -8.053 -9.667 1.00 0.00 H new ATOM 1302 N LYS A 81 -13.515 -3.828 -9.417 1.00 0.00 N ATOM 1303 CA LYS A 81 -14.870 -3.733 -8.889 1.00 0.00 C ATOM 1304 C LYS A 81 -14.866 -3.141 -7.483 1.00 0.00 C ATOM 1305 O LYS A 81 -15.520 -3.660 -6.579 1.00 0.00 O ATOM 1306 CB LYS A 81 -15.531 -5.113 -8.871 1.00 0.00 C ATOM 1307 CG LYS A 81 -15.601 -5.772 -10.237 1.00 0.00 C ATOM 1308 CD LYS A 81 -16.819 -6.671 -10.362 1.00 0.00 C ATOM 1309 CE LYS A 81 -16.662 -7.668 -11.499 1.00 0.00 C ATOM 1310 NZ LYS A 81 -17.098 -7.096 -12.803 1.00 0.00 N ATOM 0 H LYS A 81 -13.339 -3.244 -10.235 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.441 -3.072 -9.541 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -14.979 -5.762 -8.192 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -16.540 -5.018 -8.471 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.633 -5.005 -11.011 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.697 -6.357 -10.406 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -16.974 -7.207 -9.426 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -17.707 -6.061 -10.531 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -15.619 -7.978 -11.569 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -17.246 -8.562 -11.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -16.975 -7.807 -13.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -18.100 -6.824 -12.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -16.524 -6.258 -13.024 1.00 0.00 H new ATOM 1324 N ALA A 82 -14.126 -2.051 -7.307 1.00 0.00 N ATOM 1325 CA ALA A 82 -14.041 -1.387 -6.012 1.00 0.00 C ATOM 1326 C ALA A 82 -15.429 -1.103 -5.447 1.00 0.00 C ATOM 1327 O ALA A 82 -16.099 -0.158 -5.863 1.00 0.00 O ATOM 1328 CB ALA A 82 -13.244 -0.096 -6.133 1.00 0.00 C ATOM 0 H ALA A 82 -13.577 -1.609 -8.045 1.00 0.00 H new ATOM 0 HA ALA A 82 -13.527 -2.056 -5.322 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.188 0.390 -5.159 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.237 -0.322 -6.484 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.735 0.570 -6.843 1.00 0.00 H new ATOM 1334 N LYS A 83 -15.855 -1.929 -4.498 1.00 0.00 N ATOM 1335 CA LYS A 83 -17.164 -1.768 -3.875 1.00 0.00 C ATOM 1336 C LYS A 83 -17.117 -0.710 -2.777 1.00 0.00 C ATOM 1337 O LYS A 83 -16.041 -0.280 -2.362 1.00 0.00 O ATOM 1338 CB LYS A 83 -17.642 -3.100 -3.293 1.00 0.00 C ATOM 1339 CG LYS A 83 -17.381 -4.289 -4.202 1.00 0.00 C ATOM 1340 CD LYS A 83 -17.494 -5.603 -3.447 1.00 0.00 C ATOM 1341 CE LYS A 83 -16.703 -6.708 -4.131 1.00 0.00 C ATOM 1342 NZ LYS A 83 -16.919 -8.030 -3.478 1.00 0.00 N ATOM 0 H LYS A 83 -15.313 -2.717 -4.143 1.00 0.00 H new ATOM 0 HA LYS A 83 -17.866 -1.441 -4.642 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -17.146 -3.268 -2.337 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -18.711 -3.036 -3.090 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -18.093 -4.280 -5.028 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.386 -4.203 -4.638 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -17.130 -5.471 -2.428 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -18.542 -5.894 -3.376 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -16.995 -6.769 -5.179 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -15.641 -6.461 -4.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -16.363 -8.757 -3.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -16.617 -7.980 -2.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -17.928 -8.277 -3.521 1.00 0.00 H new ATOM 1356 N ASP A 84 -18.290 -0.296 -2.310 1.00 0.00 N ATOM 1357 CA ASP A 84 -18.382 0.710 -1.259 1.00 0.00 C ATOM 1358 C ASP A 84 -17.621 0.266 -0.014 1.00 0.00 C ATOM 1359 O ASP A 84 -17.210 1.091 0.801 1.00 0.00 O ATOM 1360 CB ASP A 84 -19.847 0.979 -0.908 1.00 0.00 C ATOM 1361 CG ASP A 84 -20.358 0.060 0.184 1.00 0.00 C ATOM 1362 OD1 ASP A 84 -20.451 -1.161 -0.063 1.00 0.00 O ATOM 1363 OD2 ASP A 84 -20.664 0.562 1.286 1.00 0.00 O ATOM 0 H ASP A 84 -19.190 -0.642 -2.643 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.930 1.630 -1.630 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -19.957 2.015 -0.588 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -20.460 0.854 -1.800 1.00 0.00 H new ATOM 1368 N ASN A 85 -17.439 -1.043 0.127 1.00 0.00 N ATOM 1369 CA ASN A 85 -16.728 -1.596 1.274 1.00 0.00 C ATOM 1370 C ASN A 85 -15.232 -1.315 1.175 1.00 0.00 C ATOM 1371 O ASN A 85 -14.517 -1.340 2.177 1.00 0.00 O ATOM 1372 CB ASN A 85 -16.970 -3.104 1.371 1.00 0.00 C ATOM 1373 CG ASN A 85 -17.107 -3.756 0.008 1.00 0.00 C ATOM 1374 OD1 ASN A 85 -16.122 -4.197 -0.583 1.00 0.00 O ATOM 1375 ND2 ASN A 85 -18.334 -3.820 -0.496 1.00 0.00 N ATOM 0 H ASN A 85 -17.774 -1.740 -0.538 1.00 0.00 H new ATOM 0 HA ASN A 85 -17.111 -1.114 2.174 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -16.145 -3.568 1.911 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -17.874 -3.288 1.951 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -18.489 -4.248 -1.409 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -19.122 -3.441 0.030 1.00 0.00 H new ATOM 1382 N PHE A 86 -14.765 -1.048 -0.040 1.00 0.00 N ATOM 1383 CA PHE A 86 -13.354 -0.763 -0.271 1.00 0.00 C ATOM 1384 C PHE A 86 -12.992 0.633 0.230 1.00 0.00 C ATOM 1385 O PHE A 86 -11.817 0.959 0.396 1.00 0.00 O ATOM 1386 CB PHE A 86 -13.024 -0.883 -1.761 1.00 0.00 C ATOM 1387 CG PHE A 86 -13.050 -2.297 -2.267 1.00 0.00 C ATOM 1388 CD1 PHE A 86 -14.228 -3.027 -2.264 1.00 0.00 C ATOM 1389 CD2 PHE A 86 -11.896 -2.896 -2.747 1.00 0.00 C ATOM 1390 CE1 PHE A 86 -14.254 -4.328 -2.729 1.00 0.00 C ATOM 1391 CE2 PHE A 86 -11.916 -4.197 -3.214 1.00 0.00 C ATOM 1392 CZ PHE A 86 -13.097 -4.913 -3.206 1.00 0.00 C ATOM 0 H PHE A 86 -15.343 -1.023 -0.880 1.00 0.00 H new ATOM 0 HA PHE A 86 -12.766 -1.494 0.284 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -13.736 -0.288 -2.332 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -12.036 -0.459 -1.942 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -15.136 -2.574 -1.894 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -10.970 -2.340 -2.756 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -15.178 -4.887 -2.720 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -11.010 -4.653 -3.584 1.00 0.00 H new ATOM 0 HZ PHE A 86 -13.116 -5.929 -3.572 1.00 0.00 H new ATOM 1402 N ALA A 87 -14.011 1.452 0.467 1.00 0.00 N ATOM 1403 CA ALA A 87 -13.802 2.811 0.950 1.00 0.00 C ATOM 1404 C ALA A 87 -13.569 2.829 2.457 1.00 0.00 C ATOM 1405 O ALA A 87 -14.441 2.445 3.234 1.00 0.00 O ATOM 1406 CB ALA A 87 -14.991 3.689 0.588 1.00 0.00 C ATOM 0 H ALA A 87 -14.990 1.198 0.332 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.910 3.208 0.466 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -14.821 4.701 0.955 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -15.111 3.711 -0.495 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -15.894 3.284 1.045 1.00 0.00 H new ATOM 1412 N GLY A 88 -12.384 3.276 2.863 1.00 0.00 N ATOM 1413 CA GLY A 88 -12.058 3.335 4.275 1.00 0.00 C ATOM 1414 C GLY A 88 -10.590 3.622 4.520 1.00 0.00 C ATOM 1415 O GLY A 88 -9.983 4.430 3.817 1.00 0.00 O ATOM 0 H GLY A 88 -11.645 3.598 2.239 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.661 4.108 4.752 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -12.323 2.388 4.746 1.00 0.00 H new ATOM 1419 N ASN A 89 -10.017 2.960 5.520 1.00 0.00 N ATOM 1420 CA ASN A 89 -8.611 3.150 5.857 1.00 0.00 C ATOM 1421 C ASN A 89 -7.763 2.001 5.320 1.00 0.00 C ATOM 1422 O ASN A 89 -8.197 0.849 5.306 1.00 0.00 O ATOM 1423 CB ASN A 89 -8.439 3.262 7.373 1.00 0.00 C ATOM 1424 CG ASN A 89 -6.991 3.462 7.777 1.00 0.00 C ATOM 1425 OD1 ASN A 89 -6.436 2.681 8.550 1.00 0.00 O ATOM 1426 ND2 ASN A 89 -6.371 4.514 7.254 1.00 0.00 N ATOM 0 H ASN A 89 -10.505 2.287 6.111 1.00 0.00 H new ATOM 0 HA ASN A 89 -8.273 4.076 5.391 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -9.035 4.096 7.743 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -8.824 2.360 7.847 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -5.396 4.700 7.489 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -6.870 5.135 6.617 1.00 0.00 H new ATOM 1433 N TYR A 90 -6.551 2.322 4.881 1.00 0.00 N ATOM 1434 CA TYR A 90 -5.642 1.318 4.342 1.00 0.00 C ATOM 1435 C TYR A 90 -4.275 1.403 5.015 1.00 0.00 C ATOM 1436 O TYR A 90 -3.800 2.489 5.344 1.00 0.00 O ATOM 1437 CB TYR A 90 -5.490 1.495 2.831 1.00 0.00 C ATOM 1438 CG TYR A 90 -6.655 0.948 2.037 1.00 0.00 C ATOM 1439 CD1 TYR A 90 -7.902 1.560 2.083 1.00 0.00 C ATOM 1440 CD2 TYR A 90 -6.509 -0.181 1.240 1.00 0.00 C ATOM 1441 CE1 TYR A 90 -8.969 1.062 1.360 1.00 0.00 C ATOM 1442 CE2 TYR A 90 -7.570 -0.685 0.513 1.00 0.00 C ATOM 1443 CZ TYR A 90 -8.798 -0.060 0.577 1.00 0.00 C ATOM 1444 OH TYR A 90 -9.858 -0.557 -0.146 1.00 0.00 O ATOM 0 H TYR A 90 -6.175 3.270 4.888 1.00 0.00 H new ATOM 0 HA TYR A 90 -6.067 0.335 4.545 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -5.375 2.556 2.608 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.575 1.000 2.506 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -8.039 2.440 2.694 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -5.549 -0.673 1.188 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -9.932 1.549 1.408 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -7.439 -1.563 -0.102 1.00 0.00 H new ATOM 0 HH TYR A 90 -10.695 -0.359 0.323 1.00 0.00 H new ATOM 1454 N ARG A 91 -3.649 0.248 5.216 1.00 0.00 N ATOM 1455 CA ARG A 91 -2.337 0.190 5.849 1.00 0.00 C ATOM 1456 C ARG A 91 -1.356 -0.610 4.997 1.00 0.00 C ATOM 1457 O ARG A 91 -1.751 -1.522 4.269 1.00 0.00 O ATOM 1458 CB ARG A 91 -2.447 -0.435 7.241 1.00 0.00 C ATOM 1459 CG ARG A 91 -1.384 0.052 8.213 1.00 0.00 C ATOM 1460 CD ARG A 91 -1.587 -0.536 9.601 1.00 0.00 C ATOM 1461 NE ARG A 91 -0.493 -0.192 10.506 1.00 0.00 N ATOM 1462 CZ ARG A 91 -0.498 -0.473 11.804 1.00 0.00 C ATOM 1463 NH1 ARG A 91 -1.533 -1.099 12.346 1.00 0.00 N ATOM 1464 NH2 ARG A 91 0.534 -0.127 12.563 1.00 0.00 N ATOM 0 H ARG A 91 -4.029 -0.660 4.950 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.962 1.209 5.943 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.432 -0.214 7.652 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.375 -1.519 7.150 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -0.397 -0.222 7.841 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -1.412 1.140 8.270 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -2.528 -0.173 10.015 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -1.669 -1.620 9.527 1.00 0.00 H new ATOM 0 HE ARG A 91 0.319 0.290 10.120 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -2.328 -1.366 11.766 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -1.534 -1.314 13.343 1.00 0.00 H new ATOM 0 HH21 ARG A 91 1.332 0.355 12.150 1.00 0.00 H new ATOM 0 HH22 ARG A 91 0.529 -0.343 13.560 1.00 0.00 H new ATOM 1478 N CYS A 92 -0.078 -0.262 5.092 1.00 0.00 N ATOM 1479 CA CYS A 92 0.960 -0.946 4.329 1.00 0.00 C ATOM 1480 C CYS A 92 2.110 -1.372 5.235 1.00 0.00 C ATOM 1481 O CYS A 92 2.596 -0.586 6.047 1.00 0.00 O ATOM 1482 CB CYS A 92 1.482 -0.040 3.213 1.00 0.00 C ATOM 1483 SG CYS A 92 0.475 -0.063 1.711 1.00 0.00 S ATOM 0 H CYS A 92 0.265 0.490 5.690 1.00 0.00 H new ATOM 0 HA CYS A 92 0.521 -1.840 3.886 1.00 0.00 H new ATOM 0 HB2 CYS A 92 1.536 0.983 3.586 1.00 0.00 H new ATOM 0 HB3 CYS A 92 2.499 -0.341 2.961 1.00 0.00 H new ATOM 0 HG CYS A 92 -0.691 -0.572 1.978 1.00 0.00 H new ATOM 1489 N GLU A 93 2.539 -2.622 5.090 1.00 0.00 N ATOM 1490 CA GLU A 93 3.631 -3.153 5.898 1.00 0.00 C ATOM 1491 C GLU A 93 4.697 -3.796 5.017 1.00 0.00 C ATOM 1492 O GLU A 93 4.416 -4.727 4.263 1.00 0.00 O ATOM 1493 CB GLU A 93 3.099 -4.176 6.904 1.00 0.00 C ATOM 1494 CG GLU A 93 2.161 -3.581 7.940 1.00 0.00 C ATOM 1495 CD GLU A 93 1.648 -4.613 8.925 1.00 0.00 C ATOM 1496 OE1 GLU A 93 2.422 -5.526 9.283 1.00 0.00 O ATOM 1497 OE2 GLU A 93 0.474 -4.509 9.337 1.00 0.00 O ATOM 0 H GLU A 93 2.147 -3.285 4.421 1.00 0.00 H new ATOM 0 HA GLU A 93 4.085 -2.323 6.440 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.576 -4.966 6.364 1.00 0.00 H new ATOM 0 HB3 GLU A 93 3.941 -4.643 7.415 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.680 -2.792 8.484 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.315 -3.116 7.434 1.00 0.00 H new ATOM 1504 N VAL A 94 5.923 -3.291 5.118 1.00 0.00 N ATOM 1505 CA VAL A 94 7.033 -3.816 4.331 1.00 0.00 C ATOM 1506 C VAL A 94 8.237 -4.120 5.214 1.00 0.00 C ATOM 1507 O VAL A 94 8.643 -3.298 6.036 1.00 0.00 O ATOM 1508 CB VAL A 94 7.456 -2.827 3.228 1.00 0.00 C ATOM 1509 CG1 VAL A 94 8.684 -3.341 2.492 1.00 0.00 C ATOM 1510 CG2 VAL A 94 6.307 -2.586 2.260 1.00 0.00 C ATOM 0 H VAL A 94 6.172 -2.519 5.737 1.00 0.00 H new ATOM 0 HA VAL A 94 6.684 -4.739 3.867 1.00 0.00 H new ATOM 0 HB VAL A 94 7.713 -1.877 3.696 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.968 -2.629 1.717 1.00 0.00 H new ATOM 0 HG12 VAL A 94 9.508 -3.458 3.196 1.00 0.00 H new ATOM 0 HG13 VAL A 94 8.458 -4.304 2.035 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.623 -1.885 1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 94 6.017 -3.529 1.797 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.457 -2.171 2.801 1.00 0.00 H new ATOM 1520 N THR A 95 8.807 -5.309 5.040 1.00 0.00 N ATOM 1521 CA THR A 95 9.965 -5.723 5.821 1.00 0.00 C ATOM 1522 C THR A 95 11.065 -6.278 4.923 1.00 0.00 C ATOM 1523 O THR A 95 11.015 -7.435 4.506 1.00 0.00 O ATOM 1524 CB THR A 95 9.586 -6.789 6.866 1.00 0.00 C ATOM 1525 OG1 THR A 95 8.227 -6.608 7.280 1.00 0.00 O ATOM 1526 CG2 THR A 95 10.504 -6.712 8.076 1.00 0.00 C ATOM 0 H THR A 95 8.485 -6.002 4.364 1.00 0.00 H new ATOM 0 HA THR A 95 10.333 -4.835 6.335 1.00 0.00 H new ATOM 0 HB THR A 95 9.698 -7.771 6.407 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.993 -7.291 7.943 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.217 -7.475 8.800 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.534 -6.880 7.762 1.00 0.00 H new ATOM 0 HG23 THR A 95 10.420 -5.727 8.534 1.00 0.00 H new ATOM 1534 N TYR A 96 12.057 -5.445 4.628 1.00 0.00 N ATOM 1535 CA TYR A 96 13.169 -5.852 3.777 1.00 0.00 C ATOM 1536 C TYR A 96 14.171 -6.698 4.557 1.00 0.00 C ATOM 1537 O TYR A 96 14.218 -7.919 4.411 1.00 0.00 O ATOM 1538 CB TYR A 96 13.867 -4.624 3.192 1.00 0.00 C ATOM 1539 CG TYR A 96 15.003 -4.962 2.252 1.00 0.00 C ATOM 1540 CD1 TYR A 96 14.948 -6.091 1.443 1.00 0.00 C ATOM 1541 CD2 TYR A 96 16.129 -4.153 2.172 1.00 0.00 C ATOM 1542 CE1 TYR A 96 15.983 -6.404 0.584 1.00 0.00 C ATOM 1543 CE2 TYR A 96 17.169 -4.458 1.315 1.00 0.00 C ATOM 1544 CZ TYR A 96 17.091 -5.585 0.523 1.00 0.00 C ATOM 1545 OH TYR A 96 18.124 -5.893 -0.332 1.00 0.00 O ATOM 0 H TYR A 96 12.114 -4.484 4.966 1.00 0.00 H new ATOM 0 HA TYR A 96 12.768 -6.456 2.963 1.00 0.00 H new ATOM 0 HB2 TYR A 96 13.133 -4.019 2.659 1.00 0.00 H new ATOM 0 HB3 TYR A 96 14.252 -4.012 4.008 1.00 0.00 H new ATOM 0 HD1 TYR A 96 14.081 -6.734 1.487 1.00 0.00 H new ATOM 0 HD2 TYR A 96 16.193 -3.270 2.791 1.00 0.00 H new ATOM 0 HE1 TYR A 96 15.925 -7.286 -0.037 1.00 0.00 H new ATOM 0 HE2 TYR A 96 18.038 -3.818 1.265 1.00 0.00 H new ATOM 0 HH TYR A 96 17.965 -5.471 -1.202 1.00 0.00 H new ATOM 1611 N PHE A 100 12.062 -1.540 8.470 1.00 0.00 N ATOM 1612 CA PHE A 100 10.645 -1.729 8.184 1.00 0.00 C ATOM 1613 C PHE A 100 9.887 -0.409 8.294 1.00 0.00 C ATOM 1614 O PHE A 100 10.104 0.368 9.224 1.00 0.00 O ATOM 1615 CB PHE A 100 10.042 -2.757 9.143 1.00 0.00 C ATOM 1616 CG PHE A 100 8.542 -2.712 9.205 1.00 0.00 C ATOM 1617 CD1 PHE A 100 7.895 -1.738 9.950 1.00 0.00 C ATOM 1618 CD2 PHE A 100 7.778 -3.642 8.518 1.00 0.00 C ATOM 1619 CE1 PHE A 100 6.515 -1.695 10.009 1.00 0.00 C ATOM 1620 CE2 PHE A 100 6.398 -3.603 8.573 1.00 0.00 C ATOM 1621 CZ PHE A 100 5.765 -2.627 9.319 1.00 0.00 C ATOM 0 HA PHE A 100 10.552 -2.097 7.162 1.00 0.00 H new ATOM 0 HB2 PHE A 100 10.355 -3.755 8.837 1.00 0.00 H new ATOM 0 HB3 PHE A 100 10.444 -2.589 10.142 1.00 0.00 H new ATOM 0 HD1 PHE A 100 8.476 -1.005 10.490 1.00 0.00 H new ATOM 0 HD2 PHE A 100 8.267 -4.406 7.933 1.00 0.00 H new ATOM 0 HE1 PHE A 100 6.023 -0.933 10.595 1.00 0.00 H new ATOM 0 HE2 PHE A 100 5.815 -4.334 8.034 1.00 0.00 H new ATOM 0 HZ PHE A 100 4.686 -2.593 9.362 1.00 0.00 H new ATOM 1631 N ASP A 101 8.999 -0.162 7.337 1.00 0.00 N ATOM 1632 CA ASP A 101 8.208 1.063 7.325 1.00 0.00 C ATOM 1633 C ASP A 101 6.729 0.753 7.119 1.00 0.00 C ATOM 1634 O ASP A 101 6.375 -0.172 6.389 1.00 0.00 O ATOM 1635 CB ASP A 101 8.704 2.004 6.226 1.00 0.00 C ATOM 1636 CG ASP A 101 8.015 1.757 4.898 1.00 0.00 C ATOM 1637 OD1 ASP A 101 8.429 0.823 4.181 1.00 0.00 O ATOM 1638 OD2 ASP A 101 7.062 2.498 4.577 1.00 0.00 O ATOM 0 H ASP A 101 8.809 -0.794 6.559 1.00 0.00 H new ATOM 0 HA ASP A 101 8.326 1.553 8.292 1.00 0.00 H new ATOM 0 HB2 ASP A 101 8.536 3.036 6.533 1.00 0.00 H new ATOM 0 HB3 ASP A 101 9.780 1.879 6.103 1.00 0.00 H new ATOM 1643 N SER A 102 5.870 1.534 7.767 1.00 0.00 N ATOM 1644 CA SER A 102 4.429 1.340 7.658 1.00 0.00 C ATOM 1645 C SER A 102 3.722 2.662 7.377 1.00 0.00 C ATOM 1646 O SER A 102 3.907 3.643 8.099 1.00 0.00 O ATOM 1647 CB SER A 102 3.878 0.717 8.942 1.00 0.00 C ATOM 1648 OG SER A 102 4.182 1.520 10.069 1.00 0.00 O ATOM 0 H SER A 102 6.147 2.307 8.373 1.00 0.00 H new ATOM 0 HA SER A 102 4.241 0.663 6.824 1.00 0.00 H new ATOM 0 HB2 SER A 102 2.798 0.597 8.857 1.00 0.00 H new ATOM 0 HB3 SER A 102 4.300 -0.279 9.077 1.00 0.00 H new ATOM 0 HG SER A 102 4.273 2.455 9.790 1.00 0.00 H new ATOM 1654 N CYS A 103 2.913 2.682 6.324 1.00 0.00 N ATOM 1655 CA CYS A 103 2.179 3.884 5.946 1.00 0.00 C ATOM 1656 C CYS A 103 0.719 3.557 5.646 1.00 0.00 C ATOM 1657 O CYS A 103 0.420 2.584 4.955 1.00 0.00 O ATOM 1658 CB CYS A 103 2.828 4.541 4.727 1.00 0.00 C ATOM 1659 SG CYS A 103 2.191 6.191 4.351 1.00 0.00 S ATOM 0 H CYS A 103 2.749 1.879 5.717 1.00 0.00 H new ATOM 0 HA CYS A 103 2.212 4.579 6.785 1.00 0.00 H new ATOM 0 HB2 CYS A 103 3.903 4.607 4.893 1.00 0.00 H new ATOM 0 HB3 CYS A 103 2.678 3.899 3.859 1.00 0.00 H new ATOM 0 HG CYS A 103 2.273 6.407 3.072 1.00 0.00 H new ATOM 1665 N SER A 104 -0.185 4.377 6.172 1.00 0.00 N ATOM 1666 CA SER A 104 -1.614 4.172 5.966 1.00 0.00 C ATOM 1667 C SER A 104 -2.218 5.324 5.169 1.00 0.00 C ATOM 1668 O SER A 104 -1.929 6.493 5.428 1.00 0.00 O ATOM 1669 CB SER A 104 -2.331 4.037 7.311 1.00 0.00 C ATOM 1670 OG SER A 104 -2.361 5.275 8.000 1.00 0.00 O ATOM 0 H SER A 104 0.047 5.189 6.744 1.00 0.00 H new ATOM 0 HA SER A 104 -1.746 3.251 5.398 1.00 0.00 H new ATOM 0 HB2 SER A 104 -3.349 3.682 7.150 1.00 0.00 H new ATOM 0 HB3 SER A 104 -1.826 3.289 7.922 1.00 0.00 H new ATOM 0 HG SER A 104 -2.826 5.162 8.855 1.00 0.00 H new ATOM 1676 N PHE A 105 -3.059 4.986 4.197 1.00 0.00 N ATOM 1677 CA PHE A 105 -3.704 5.991 3.360 1.00 0.00 C ATOM 1678 C PHE A 105 -5.223 5.918 3.495 1.00 0.00 C ATOM 1679 O PHE A 105 -5.748 5.155 4.306 1.00 0.00 O ATOM 1680 CB PHE A 105 -3.301 5.801 1.896 1.00 0.00 C ATOM 1681 CG PHE A 105 -3.349 4.370 1.442 1.00 0.00 C ATOM 1682 CD1 PHE A 105 -2.371 3.471 1.837 1.00 0.00 C ATOM 1683 CD2 PHE A 105 -4.371 3.924 0.620 1.00 0.00 C ATOM 1684 CE1 PHE A 105 -2.412 2.154 1.422 1.00 0.00 C ATOM 1685 CE2 PHE A 105 -4.417 2.608 0.201 1.00 0.00 C ATOM 1686 CZ PHE A 105 -3.436 1.722 0.602 1.00 0.00 C ATOM 0 H PHE A 105 -3.310 4.024 3.970 1.00 0.00 H new ATOM 0 HA PHE A 105 -3.374 6.974 3.696 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -3.961 6.396 1.265 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.291 6.186 1.753 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -1.567 3.804 2.477 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -5.140 4.612 0.303 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -1.644 1.463 1.738 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -5.219 2.272 -0.439 1.00 0.00 H new ATOM 0 HZ PHE A 105 -3.470 0.693 0.275 1.00 0.00 H new ATOM 1696 N ASP A 106 -5.920 6.717 2.696 1.00 0.00 N ATOM 1697 CA ASP A 106 -7.378 6.744 2.724 1.00 0.00 C ATOM 1698 C ASP A 106 -7.953 6.523 1.329 1.00 0.00 C ATOM 1699 O ASP A 106 -7.568 7.198 0.373 1.00 0.00 O ATOM 1700 CB ASP A 106 -7.874 8.076 3.289 1.00 0.00 C ATOM 1701 CG ASP A 106 -7.153 9.265 2.686 1.00 0.00 C ATOM 1702 OD1 ASP A 106 -5.959 9.454 2.995 1.00 0.00 O ATOM 1703 OD2 ASP A 106 -7.784 10.007 1.904 1.00 0.00 O ATOM 0 H ASP A 106 -5.499 7.355 2.020 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.719 5.935 3.370 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -8.944 8.171 3.102 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -7.737 8.082 4.370 1.00 0.00 H new ATOM 1708 N LEU A 107 -8.876 5.574 1.218 1.00 0.00 N ATOM 1709 CA LEU A 107 -9.504 5.263 -0.061 1.00 0.00 C ATOM 1710 C LEU A 107 -10.996 5.578 -0.026 1.00 0.00 C ATOM 1711 O LEU A 107 -11.726 5.075 0.827 1.00 0.00 O ATOM 1712 CB LEU A 107 -9.291 3.790 -0.412 1.00 0.00 C ATOM 1713 CG LEU A 107 -9.575 3.397 -1.862 1.00 0.00 C ATOM 1714 CD1 LEU A 107 -11.034 3.006 -2.034 1.00 0.00 C ATOM 1715 CD2 LEU A 107 -9.212 4.536 -2.804 1.00 0.00 C ATOM 0 H LEU A 107 -9.206 5.006 1.999 1.00 0.00 H new ATOM 0 HA LEU A 107 -9.038 5.884 -0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.258 3.528 -0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.926 3.187 0.238 1.00 0.00 H new ATOM 0 HG LEU A 107 -8.957 2.534 -2.111 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -11.217 2.730 -3.072 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -11.262 2.159 -1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -11.671 3.849 -1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -9.421 4.239 -3.832 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.803 5.417 -2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -8.152 4.769 -2.702 1.00 0.00 H new ATOM 1727 N GLU A 108 -11.442 6.413 -0.960 1.00 0.00 N ATOM 1728 CA GLU A 108 -12.848 6.793 -1.036 1.00 0.00 C ATOM 1729 C GLU A 108 -13.541 6.085 -2.196 1.00 0.00 C ATOM 1730 O GLU A 108 -12.922 5.793 -3.219 1.00 0.00 O ATOM 1731 CB GLU A 108 -12.981 8.309 -1.197 1.00 0.00 C ATOM 1732 CG GLU A 108 -13.008 9.061 0.123 1.00 0.00 C ATOM 1733 CD GLU A 108 -13.312 10.536 -0.052 1.00 0.00 C ATOM 1734 OE1 GLU A 108 -14.504 10.884 -0.190 1.00 0.00 O ATOM 1735 OE2 GLU A 108 -12.359 11.343 -0.052 1.00 0.00 O ATOM 0 H GLU A 108 -10.851 6.839 -1.674 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.331 6.489 -0.107 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.149 8.676 -1.798 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.895 8.529 -1.749 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.758 8.614 0.776 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -12.045 8.949 0.620 1.00 0.00 H new ATOM 1742 N VAL A 109 -14.831 5.810 -2.027 1.00 0.00 N ATOM 1743 CA VAL A 109 -15.610 5.136 -3.059 1.00 0.00 C ATOM 1744 C VAL A 109 -16.920 5.869 -3.325 1.00 0.00 C ATOM 1745 O VAL A 109 -17.774 5.977 -2.443 1.00 0.00 O ATOM 1746 CB VAL A 109 -15.920 3.679 -2.667 1.00 0.00 C ATOM 1747 CG1 VAL A 109 -16.620 2.957 -3.808 1.00 0.00 C ATOM 1748 CG2 VAL A 109 -14.644 2.953 -2.269 1.00 0.00 C ATOM 0 H VAL A 109 -15.358 6.044 -1.186 1.00 0.00 H new ATOM 0 HA VAL A 109 -15.004 5.139 -3.965 1.00 0.00 H new ATOM 0 HB VAL A 109 -16.591 3.686 -1.808 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -16.831 1.929 -3.513 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -17.555 3.467 -4.042 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -15.977 2.957 -4.688 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -14.881 1.925 -1.995 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -13.948 2.954 -3.108 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -14.188 3.459 -1.418 1.00 0.00 H new ATOM 1758 N HIS A 110 -17.075 6.371 -4.546 1.00 0.00 N ATOM 1759 CA HIS A 110 -18.283 7.093 -4.929 1.00 0.00 C ATOM 1760 C HIS A 110 -19.195 6.214 -5.779 1.00 0.00 C ATOM 1761 O HIS A 110 -18.724 5.398 -6.570 1.00 0.00 O ATOM 1762 CB HIS A 110 -17.920 8.365 -5.696 1.00 0.00 C ATOM 1763 CG HIS A 110 -17.182 9.373 -4.871 1.00 0.00 C ATOM 1764 ND1 HIS A 110 -17.023 10.688 -5.253 1.00 0.00 N ATOM 1765 CD2 HIS A 110 -16.558 9.252 -3.676 1.00 0.00 C ATOM 1766 CE1 HIS A 110 -16.332 11.333 -4.330 1.00 0.00 C ATOM 1767 NE2 HIS A 110 -16.038 10.484 -3.362 1.00 0.00 N ATOM 0 H HIS A 110 -16.379 6.291 -5.287 1.00 0.00 H new ATOM 0 HA HIS A 110 -18.817 7.367 -4.019 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -17.310 8.097 -6.559 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -18.833 8.821 -6.080 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -16.483 8.354 -3.080 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -16.055 12.376 -4.362 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -15.510 10.707 -2.518 1.00 0.00 H new ATOM 1776 N GLU A 111 -20.502 6.387 -5.608 1.00 0.00 N ATOM 1777 CA GLU A 111 -21.479 5.607 -6.359 1.00 0.00 C ATOM 1778 C GLU A 111 -21.349 5.869 -7.857 1.00 0.00 C ATOM 1779 O GLU A 111 -21.346 7.018 -8.299 1.00 0.00 O ATOM 1780 CB GLU A 111 -22.898 5.941 -5.894 1.00 0.00 C ATOM 1781 CG GLU A 111 -23.172 5.554 -4.450 1.00 0.00 C ATOM 1782 CD GLU A 111 -24.641 5.287 -4.187 1.00 0.00 C ATOM 1783 OE1 GLU A 111 -25.202 4.371 -4.823 1.00 0.00 O ATOM 1784 OE2 GLU A 111 -25.230 5.996 -3.343 1.00 0.00 O ATOM 0 H GLU A 111 -20.908 7.059 -4.957 1.00 0.00 H new ATOM 0 HA GLU A 111 -21.282 4.551 -6.173 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -23.068 7.011 -6.013 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -23.613 5.431 -6.540 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -22.594 4.664 -4.200 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -22.828 6.352 -3.792 1.00 0.00 H new ATOM 1791 N SER A 112 -21.240 4.795 -8.633 1.00 0.00 N ATOM 1792 CA SER A 112 -21.105 4.907 -10.080 1.00 0.00 C ATOM 1793 C SER A 112 -22.466 5.109 -10.739 1.00 0.00 C ATOM 1794 O SER A 112 -23.484 4.617 -10.252 1.00 0.00 O ATOM 1795 CB SER A 112 -20.430 3.657 -10.649 1.00 0.00 C ATOM 1796 OG SER A 112 -19.934 3.895 -11.955 1.00 0.00 O ATOM 0 H SER A 112 -21.243 3.837 -8.283 1.00 0.00 H new ATOM 0 HA SER A 112 -20.484 5.776 -10.296 1.00 0.00 H new ATOM 0 HB2 SER A 112 -19.612 3.352 -9.996 1.00 0.00 H new ATOM 0 HB3 SER A 112 -21.143 2.833 -10.672 1.00 0.00 H new ATOM 0 HG SER A 112 -19.506 3.082 -12.296 1.00 0.00 H new