USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=24 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+ 136:sc= 0.759 (180deg=0) USER MOD Set 1.2: A 103 CYS SG : rot 150:sc= 0.644 USER MOD Set 2.1: A 59 HIS : no HD1:sc= -4.19! K(o=-4.3!,f=-2.9) USER MOD Set 2.2: A 81 LYS NZ :NH3+ -172:sc= 0 (180deg=0) USER MOD Set 2.3: A 83 LYS NZ :NH3+ -160:sc= -0.0596 (180deg=0) USER MOD Set 3.1: A 46 LYS NZ :NH3+ -114:sc= -0.438 (180deg=-4.15!) USER MOD Set 3.2: A 90 TYR OH : rot 27:sc= 1.06 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 20 LYS NZ :NH3+ 167:sc= -0.064 (180deg=-0.38) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.179 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0294) USER MOD Single : A 50 MET CE :methyl -145:sc= -2.51! (180deg=-3.86!) USER MOD Single : A 54 SER OG : rot 180:sc= 0.021 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 61 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.11) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc=-0.00138 USER MOD Single : A 69 HIS : no HD1:sc= -0.127 X(o=-0.13,f=-0.53) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 45:sc= 0.0483 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -175:sc= -1.05 (180deg=-1.17) USER MOD Single : A 78 GLN : amide:sc= -0.249 X(o=-0.25,f=0) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= -0.0639 K(o=-0.064,f=-1.1) USER MOD Single : A 92 CYS SG : rot 180:sc= -0.3 USER MOD Single : A 95 THR OG1 : rot 180:sc=0.000468 USER MOD Single : A 96 TYR OH : rot 30:sc= 0 USER MOD Single : A 102 SER OG : rot 27:sc= 0.216 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 110 HIS : no HD1:sc= -2.04 X(o=-2,f=-2.5!) USER MOD Single : A 112 SER OG : rot -44:sc= 0.553 USER MOD ----------------------------------------------------------------- ATOM 124 N ILE A 11 10.945 4.455 -1.451 1.00 0.00 N ATOM 125 CA ILE A 11 11.013 5.331 -2.615 1.00 0.00 C ATOM 126 C ILE A 11 9.679 6.031 -2.854 1.00 0.00 C ATOM 127 O ILE A 11 9.532 7.219 -2.571 1.00 0.00 O ATOM 128 CB ILE A 11 11.406 4.552 -3.883 1.00 0.00 C ATOM 129 CG1 ILE A 11 12.850 4.056 -3.777 1.00 0.00 C ATOM 130 CG2 ILE A 11 11.229 5.424 -5.117 1.00 0.00 C ATOM 131 CD1 ILE A 11 13.857 5.168 -3.582 1.00 0.00 C ATOM 0 HA ILE A 11 11.780 6.077 -2.405 1.00 0.00 H new ATOM 0 HB ILE A 11 10.750 3.686 -3.977 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.926 3.358 -2.943 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.103 3.502 -4.681 1.00 0.00 H new ATOM 0 HG21 ILE A 11 11.511 4.859 -6.005 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.187 5.732 -5.199 1.00 0.00 H new ATOM 0 HG23 ILE A 11 11.862 6.307 -5.032 1.00 0.00 H new ATOM 0 HD11 ILE A 11 14.859 4.744 -3.515 1.00 0.00 H new ATOM 0 HD12 ILE A 11 13.809 5.854 -4.427 1.00 0.00 H new ATOM 0 HD13 ILE A 11 13.629 5.708 -2.663 1.00 0.00 H new ATOM 143 N GLU A 12 8.711 5.285 -3.377 1.00 0.00 N ATOM 144 CA GLU A 12 7.389 5.834 -3.653 1.00 0.00 C ATOM 145 C GLU A 12 6.403 5.460 -2.551 1.00 0.00 C ATOM 146 O GLU A 12 6.617 4.501 -1.809 1.00 0.00 O ATOM 147 CB GLU A 12 6.876 5.331 -5.004 1.00 0.00 C ATOM 148 CG GLU A 12 5.961 6.316 -5.712 1.00 0.00 C ATOM 149 CD GLU A 12 6.700 7.538 -6.221 1.00 0.00 C ATOM 150 OE1 GLU A 12 7.143 8.354 -5.385 1.00 0.00 O ATOM 151 OE2 GLU A 12 6.837 7.679 -7.454 1.00 0.00 O ATOM 0 H GLU A 12 8.818 4.300 -3.618 1.00 0.00 H new ATOM 0 HA GLU A 12 7.475 6.920 -3.686 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.728 5.112 -5.648 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.340 4.394 -4.854 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.474 5.816 -6.549 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.174 6.631 -5.027 1.00 0.00 H new ATOM 158 N LYS A 13 5.320 6.224 -2.449 1.00 0.00 N ATOM 159 CA LYS A 13 4.299 5.974 -1.439 1.00 0.00 C ATOM 160 C LYS A 13 2.912 5.916 -2.070 1.00 0.00 C ATOM 161 O LYS A 13 2.520 6.787 -2.846 1.00 0.00 O ATOM 162 CB LYS A 13 4.337 7.064 -0.365 1.00 0.00 C ATOM 163 CG LYS A 13 5.278 6.751 0.786 1.00 0.00 C ATOM 164 CD LYS A 13 5.450 7.948 1.706 1.00 0.00 C ATOM 165 CE LYS A 13 6.816 7.944 2.376 1.00 0.00 C ATOM 166 NZ LYS A 13 6.868 6.997 3.524 1.00 0.00 N ATOM 0 H LYS A 13 5.127 7.022 -3.054 1.00 0.00 H new ATOM 0 HA LYS A 13 4.509 5.009 -0.977 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.639 8.005 -0.825 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.331 7.210 0.028 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.890 5.906 1.355 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.249 6.451 0.392 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.326 8.868 1.135 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.670 7.938 2.467 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.578 7.671 1.646 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.053 8.950 2.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.757 6.458 3.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.821 7.530 4.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.063 6.341 3.470 1.00 0.00 H new ATOM 180 N PRO A 14 2.149 4.866 -1.730 1.00 0.00 N ATOM 181 CA PRO A 14 0.793 4.671 -2.251 1.00 0.00 C ATOM 182 C PRO A 14 -0.194 5.693 -1.696 1.00 0.00 C ATOM 183 O PRO A 14 -0.915 5.415 -0.738 1.00 0.00 O ATOM 184 CB PRO A 14 0.429 3.263 -1.775 1.00 0.00 C ATOM 185 CG PRO A 14 1.270 3.043 -0.564 1.00 0.00 C ATOM 186 CD PRO A 14 2.552 3.789 -0.810 1.00 0.00 C ATOM 0 HA PRO A 14 0.751 4.794 -3.333 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.632 3.187 -1.539 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.639 2.519 -2.543 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.769 3.412 0.331 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.460 1.981 -0.408 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.970 4.186 0.115 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.313 3.146 -1.253 1.00 0.00 H new ATOM 194 N GLN A 15 -0.220 6.874 -2.304 1.00 0.00 N ATOM 195 CA GLN A 15 -1.119 7.937 -1.869 1.00 0.00 C ATOM 196 C GLN A 15 -2.568 7.593 -2.200 1.00 0.00 C ATOM 197 O GLN A 15 -2.997 7.707 -3.347 1.00 0.00 O ATOM 198 CB GLN A 15 -0.733 9.262 -2.529 1.00 0.00 C ATOM 199 CG GLN A 15 0.303 10.052 -1.747 1.00 0.00 C ATOM 200 CD GLN A 15 1.199 10.886 -2.641 1.00 0.00 C ATOM 201 OE1 GLN A 15 0.729 11.774 -3.354 1.00 0.00 O ATOM 202 NE2 GLN A 15 2.496 10.606 -2.608 1.00 0.00 N ATOM 0 H GLN A 15 0.370 7.119 -3.099 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.026 8.038 -0.788 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -0.347 9.062 -3.528 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -1.628 9.872 -2.650 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.204 10.705 -1.037 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.916 9.364 -1.165 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.842 9.862 -2.002 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.147 11.135 -3.188 1.00 0.00 H new ATOM 211 N GLY A 16 -3.317 7.172 -1.186 1.00 0.00 N ATOM 212 CA GLY A 16 -4.710 6.818 -1.390 1.00 0.00 C ATOM 213 C GLY A 16 -5.435 7.807 -2.280 1.00 0.00 C ATOM 214 O GLY A 16 -4.948 8.911 -2.519 1.00 0.00 O ATOM 0 H GLY A 16 -2.985 7.070 -0.227 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.768 5.824 -1.834 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -5.213 6.766 -0.425 1.00 0.00 H new ATOM 218 N GLY A 17 -6.604 7.409 -2.775 1.00 0.00 N ATOM 219 CA GLY A 17 -7.378 8.280 -3.640 1.00 0.00 C ATOM 220 C GLY A 17 -8.866 8.007 -3.556 1.00 0.00 C ATOM 221 O GLY A 17 -9.388 7.688 -2.487 1.00 0.00 O ATOM 0 H GLY A 17 -7.028 6.499 -2.592 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.187 9.319 -3.370 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.046 8.152 -4.670 1.00 0.00 H new ATOM 225 N THR A 18 -9.554 8.132 -4.687 1.00 0.00 N ATOM 226 CA THR A 18 -10.992 7.899 -4.737 1.00 0.00 C ATOM 227 C THR A 18 -11.394 7.217 -6.039 1.00 0.00 C ATOM 228 O THR A 18 -11.191 7.761 -7.125 1.00 0.00 O ATOM 229 CB THR A 18 -11.780 9.216 -4.596 1.00 0.00 C ATOM 230 OG1 THR A 18 -11.215 10.016 -3.552 1.00 0.00 O ATOM 231 CG2 THR A 18 -13.245 8.940 -4.295 1.00 0.00 C ATOM 0 H THR A 18 -9.138 8.393 -5.581 1.00 0.00 H new ATOM 0 HA THR A 18 -11.235 7.247 -3.898 1.00 0.00 H new ATOM 0 HB THR A 18 -11.715 9.755 -5.541 1.00 0.00 H new ATOM 0 HG1 THR A 18 -11.721 10.852 -3.470 1.00 0.00 H new ATOM 0 HG21 THR A 18 -13.781 9.884 -4.200 1.00 0.00 H new ATOM 0 HG22 THR A 18 -13.680 8.356 -5.107 1.00 0.00 H new ATOM 0 HG23 THR A 18 -13.326 8.381 -3.363 1.00 0.00 H new ATOM 239 N VAL A 19 -11.964 6.022 -5.924 1.00 0.00 N ATOM 240 CA VAL A 19 -12.397 5.265 -7.093 1.00 0.00 C ATOM 241 C VAL A 19 -13.909 5.071 -7.094 1.00 0.00 C ATOM 242 O VAL A 19 -14.526 4.910 -6.041 1.00 0.00 O ATOM 243 CB VAL A 19 -11.713 3.887 -7.154 1.00 0.00 C ATOM 244 CG1 VAL A 19 -12.073 3.057 -5.931 1.00 0.00 C ATOM 245 CG2 VAL A 19 -12.095 3.158 -8.433 1.00 0.00 C ATOM 0 H VAL A 19 -12.137 5.557 -5.033 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.108 5.845 -7.970 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.633 4.037 -7.157 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.580 2.087 -5.992 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.744 3.575 -5.030 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -13.153 2.914 -5.893 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.602 2.186 -8.459 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -13.176 3.018 -8.463 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -11.781 3.747 -9.295 1.00 0.00 H new ATOM 255 N LYS A 20 -14.501 5.086 -8.283 1.00 0.00 N ATOM 256 CA LYS A 20 -15.942 4.909 -8.423 1.00 0.00 C ATOM 257 C LYS A 20 -16.330 3.445 -8.246 1.00 0.00 C ATOM 258 O LYS A 20 -15.527 2.545 -8.495 1.00 0.00 O ATOM 259 CB LYS A 20 -16.407 5.409 -9.793 1.00 0.00 C ATOM 260 CG LYS A 20 -17.879 5.781 -9.837 1.00 0.00 C ATOM 261 CD LYS A 20 -18.167 7.018 -9.004 1.00 0.00 C ATOM 262 CE LYS A 20 -17.454 8.242 -9.559 1.00 0.00 C ATOM 263 NZ LYS A 20 -17.800 8.485 -10.987 1.00 0.00 N ATOM 0 H LYS A 20 -14.005 5.219 -9.164 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.432 5.493 -7.644 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.813 6.278 -10.074 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.214 4.636 -10.537 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.179 5.959 -10.870 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.477 4.947 -9.470 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.241 7.201 -8.981 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.851 6.847 -7.975 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.721 9.117 -8.967 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.376 8.109 -9.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -17.478 9.434 -11.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -17.333 7.772 -11.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -18.830 8.418 -11.111 1.00 0.00 H new ATOM 277 N VAL A 21 -17.567 3.213 -7.817 1.00 0.00 N ATOM 278 CA VAL A 21 -18.062 1.857 -7.610 1.00 0.00 C ATOM 279 C VAL A 21 -18.059 1.066 -8.913 1.00 0.00 C ATOM 280 O VAL A 21 -18.712 1.446 -9.884 1.00 0.00 O ATOM 281 CB VAL A 21 -19.489 1.864 -7.029 1.00 0.00 C ATOM 282 CG1 VAL A 21 -20.080 0.463 -7.050 1.00 0.00 C ATOM 283 CG2 VAL A 21 -19.486 2.430 -5.617 1.00 0.00 C ATOM 0 H VAL A 21 -18.244 3.946 -7.606 1.00 0.00 H new ATOM 0 HA VAL A 21 -17.390 1.379 -6.897 1.00 0.00 H new ATOM 0 HB VAL A 21 -20.114 2.505 -7.651 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -21.088 0.487 -6.636 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -20.118 0.100 -8.077 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -19.458 -0.203 -6.452 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -20.502 2.428 -5.222 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -18.848 1.817 -4.981 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -19.106 3.452 -5.635 1.00 0.00 H new ATOM 293 N GLY A 22 -17.320 -0.039 -8.927 1.00 0.00 N ATOM 294 CA GLY A 22 -17.246 -0.868 -10.116 1.00 0.00 C ATOM 295 C GLY A 22 -16.020 -0.569 -10.955 1.00 0.00 C ATOM 296 O GLY A 22 -15.648 -1.357 -11.824 1.00 0.00 O ATOM 0 H GLY A 22 -16.771 -0.375 -8.136 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -17.235 -1.918 -9.823 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.141 -0.715 -10.719 1.00 0.00 H new ATOM 300 N GLU A 23 -15.391 0.573 -10.696 1.00 0.00 N ATOM 301 CA GLU A 23 -14.201 0.974 -11.437 1.00 0.00 C ATOM 302 C GLU A 23 -12.978 0.191 -10.968 1.00 0.00 C ATOM 303 O GLU A 23 -13.069 -0.639 -10.063 1.00 0.00 O ATOM 304 CB GLU A 23 -13.953 2.475 -11.274 1.00 0.00 C ATOM 305 CG GLU A 23 -14.617 3.322 -12.347 1.00 0.00 C ATOM 306 CD GLU A 23 -15.962 2.769 -12.777 1.00 0.00 C ATOM 307 OE1 GLU A 23 -16.962 3.032 -12.076 1.00 0.00 O ATOM 308 OE2 GLU A 23 -16.015 2.075 -13.813 1.00 0.00 O ATOM 0 H GLU A 23 -15.685 1.236 -9.979 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.369 0.753 -12.491 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.317 2.791 -10.297 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.879 2.661 -11.289 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.748 4.338 -11.973 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -13.960 3.384 -13.214 1.00 0.00 H new ATOM 315 N ASP A 24 -11.836 0.461 -11.590 1.00 0.00 N ATOM 316 CA ASP A 24 -10.594 -0.217 -11.236 1.00 0.00 C ATOM 317 C ASP A 24 -9.496 0.792 -10.916 1.00 0.00 C ATOM 318 O ASP A 24 -9.163 1.645 -11.740 1.00 0.00 O ATOM 319 CB ASP A 24 -10.145 -1.132 -12.376 1.00 0.00 C ATOM 320 CG ASP A 24 -9.601 -0.358 -13.561 1.00 0.00 C ATOM 321 OD1 ASP A 24 -10.173 0.701 -13.890 1.00 0.00 O ATOM 322 OD2 ASP A 24 -8.602 -0.812 -14.158 1.00 0.00 O ATOM 0 H ASP A 24 -11.744 1.144 -12.342 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.779 -0.820 -10.347 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.379 -1.815 -12.009 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.987 -1.743 -12.701 1.00 0.00 H new ATOM 327 N ILE A 25 -8.938 0.691 -9.714 1.00 0.00 N ATOM 328 CA ILE A 25 -7.878 1.595 -9.285 1.00 0.00 C ATOM 329 C ILE A 25 -6.627 0.823 -8.881 1.00 0.00 C ATOM 330 O ILE A 25 -6.707 -0.324 -8.440 1.00 0.00 O ATOM 331 CB ILE A 25 -8.331 2.472 -8.103 1.00 0.00 C ATOM 332 CG1 ILE A 25 -7.174 3.350 -7.619 1.00 0.00 C ATOM 333 CG2 ILE A 25 -8.853 1.603 -6.968 1.00 0.00 C ATOM 334 CD1 ILE A 25 -7.624 4.570 -6.846 1.00 0.00 C ATOM 0 H ILE A 25 -9.203 -0.008 -9.020 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.647 2.237 -10.135 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.140 3.121 -8.440 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.515 2.753 -6.989 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.587 3.671 -8.480 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.169 2.237 -6.140 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.701 1.016 -7.320 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.063 0.933 -6.630 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.752 5.145 -6.534 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.259 5.189 -7.480 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.185 4.256 -5.966 1.00 0.00 H new ATOM 346 N THR A 26 -5.470 1.459 -9.034 1.00 0.00 N ATOM 347 CA THR A 26 -4.201 0.833 -8.685 1.00 0.00 C ATOM 348 C THR A 26 -3.313 1.791 -7.899 1.00 0.00 C ATOM 349 O THR A 26 -3.279 2.990 -8.175 1.00 0.00 O ATOM 350 CB THR A 26 -3.443 0.362 -9.941 1.00 0.00 C ATOM 351 OG1 THR A 26 -4.303 -0.437 -10.761 1.00 0.00 O ATOM 352 CG2 THR A 26 -2.209 -0.441 -9.558 1.00 0.00 C ATOM 0 H THR A 26 -5.386 2.408 -9.398 1.00 0.00 H new ATOM 0 HA THR A 26 -4.435 -0.032 -8.065 1.00 0.00 H new ATOM 0 HB THR A 26 -3.125 1.243 -10.499 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.814 -0.731 -11.558 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.690 -0.763 -10.461 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.543 0.179 -8.958 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.509 -1.315 -8.980 1.00 0.00 H new ATOM 360 N PHE A 27 -2.596 1.254 -6.917 1.00 0.00 N ATOM 361 CA PHE A 27 -1.707 2.062 -6.090 1.00 0.00 C ATOM 362 C PHE A 27 -0.246 1.735 -6.382 1.00 0.00 C ATOM 363 O PHE A 27 0.108 0.579 -6.616 1.00 0.00 O ATOM 364 CB PHE A 27 -2.007 1.832 -4.607 1.00 0.00 C ATOM 365 CG PHE A 27 -3.452 2.029 -4.251 1.00 0.00 C ATOM 366 CD1 PHE A 27 -4.361 0.992 -4.389 1.00 0.00 C ATOM 367 CD2 PHE A 27 -3.903 3.250 -3.777 1.00 0.00 C ATOM 368 CE1 PHE A 27 -5.692 1.169 -4.061 1.00 0.00 C ATOM 369 CE2 PHE A 27 -5.232 3.433 -3.447 1.00 0.00 C ATOM 370 CZ PHE A 27 -6.128 2.392 -3.590 1.00 0.00 C ATOM 0 H PHE A 27 -2.613 0.263 -6.675 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.881 3.111 -6.330 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.709 0.819 -4.337 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.398 2.512 -4.011 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.025 0.034 -4.757 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.208 4.069 -3.664 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.390 0.352 -4.173 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.570 4.390 -3.077 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.168 2.534 -3.334 1.00 0.00 H new ATOM 380 N ILE A 28 0.599 2.761 -6.367 1.00 0.00 N ATOM 381 CA ILE A 28 2.021 2.583 -6.629 1.00 0.00 C ATOM 382 C ILE A 28 2.825 2.600 -5.333 1.00 0.00 C ATOM 383 O ILE A 28 2.565 3.405 -4.440 1.00 0.00 O ATOM 384 CB ILE A 28 2.561 3.677 -7.569 1.00 0.00 C ATOM 385 CG1 ILE A 28 1.943 3.535 -8.961 1.00 0.00 C ATOM 386 CG2 ILE A 28 4.079 3.606 -7.647 1.00 0.00 C ATOM 387 CD1 ILE A 28 2.273 2.222 -9.637 1.00 0.00 C ATOM 0 H ILE A 28 0.323 3.724 -6.176 1.00 0.00 H new ATOM 0 HA ILE A 28 2.134 1.612 -7.111 1.00 0.00 H new ATOM 0 HB ILE A 28 2.283 4.651 -7.167 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.860 3.631 -8.881 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.290 4.355 -9.589 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.446 4.385 -8.315 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.502 3.752 -6.653 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.378 2.630 -8.029 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.802 2.190 -10.620 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.353 2.132 -9.749 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.901 1.397 -9.030 1.00 0.00 H new ATOM 399 N ALA A 29 3.804 1.706 -5.240 1.00 0.00 N ATOM 400 CA ALA A 29 4.650 1.620 -4.055 1.00 0.00 C ATOM 401 C ALA A 29 6.029 1.072 -4.404 1.00 0.00 C ATOM 402 O ALA A 29 6.165 -0.081 -4.815 1.00 0.00 O ATOM 403 CB ALA A 29 3.987 0.752 -2.996 1.00 0.00 C ATOM 0 H ALA A 29 4.031 1.031 -5.970 1.00 0.00 H new ATOM 0 HA ALA A 29 4.778 2.626 -3.656 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.629 0.696 -2.117 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.027 1.187 -2.717 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.829 -0.250 -3.394 1.00 0.00 H new ATOM 409 N LYS A 30 7.051 1.904 -4.237 1.00 0.00 N ATOM 410 CA LYS A 30 8.421 1.504 -4.533 1.00 0.00 C ATOM 411 C LYS A 30 9.274 1.505 -3.269 1.00 0.00 C ATOM 412 O LYS A 30 8.964 2.198 -2.300 1.00 0.00 O ATOM 413 CB LYS A 30 9.035 2.441 -5.576 1.00 0.00 C ATOM 414 CG LYS A 30 8.587 2.147 -6.997 1.00 0.00 C ATOM 415 CD LYS A 30 8.643 3.390 -7.868 1.00 0.00 C ATOM 416 CE LYS A 30 7.523 3.400 -8.898 1.00 0.00 C ATOM 417 NZ LYS A 30 7.924 4.105 -10.147 1.00 0.00 N ATOM 0 H LYS A 30 6.956 2.861 -3.898 1.00 0.00 H new ATOM 0 HA LYS A 30 8.397 0.490 -4.933 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.773 3.469 -5.327 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.121 2.367 -5.524 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.222 1.372 -7.426 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.570 1.756 -6.985 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.570 4.279 -7.241 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.606 3.437 -8.376 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.239 2.375 -9.135 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.644 3.885 -8.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.134 4.090 -10.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.171 5.091 -9.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.747 3.627 -10.566 1.00 0.00 H new ATOM 431 N VAL A 31 10.351 0.725 -3.285 1.00 0.00 N ATOM 432 CA VAL A 31 11.250 0.639 -2.141 1.00 0.00 C ATOM 433 C VAL A 31 12.703 0.538 -2.590 1.00 0.00 C ATOM 434 O VAL A 31 13.023 -0.176 -3.540 1.00 0.00 O ATOM 435 CB VAL A 31 10.913 -0.574 -1.253 1.00 0.00 C ATOM 436 CG1 VAL A 31 11.055 -1.868 -2.040 1.00 0.00 C ATOM 437 CG2 VAL A 31 11.800 -0.591 -0.017 1.00 0.00 C ATOM 0 H VAL A 31 10.622 0.144 -4.078 1.00 0.00 H new ATOM 0 HA VAL A 31 11.115 1.553 -1.562 1.00 0.00 H new ATOM 0 HB VAL A 31 9.876 -0.488 -0.927 1.00 0.00 H new ATOM 0 HG11 VAL A 31 10.813 -2.714 -1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.374 -1.853 -2.891 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.080 -1.966 -2.397 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.549 -1.454 0.599 1.00 0.00 H new ATOM 0 HG22 VAL A 31 12.845 -0.653 -0.320 1.00 0.00 H new ATOM 0 HG23 VAL A 31 11.642 0.322 0.557 1.00 0.00 H new ATOM 447 N LYS A 32 13.581 1.259 -1.900 1.00 0.00 N ATOM 448 CA LYS A 32 15.002 1.251 -2.226 1.00 0.00 C ATOM 449 C LYS A 32 15.671 -0.019 -1.710 1.00 0.00 C ATOM 450 O LYS A 32 15.708 -0.267 -0.505 1.00 0.00 O ATOM 451 CB LYS A 32 15.690 2.481 -1.629 1.00 0.00 C ATOM 452 CG LYS A 32 16.966 2.875 -2.353 1.00 0.00 C ATOM 453 CD LYS A 32 16.671 3.470 -3.720 1.00 0.00 C ATOM 454 CE LYS A 32 17.803 3.204 -4.700 1.00 0.00 C ATOM 455 NZ LYS A 32 18.850 4.261 -4.638 1.00 0.00 N ATOM 0 H LYS A 32 13.333 1.856 -1.111 1.00 0.00 H new ATOM 0 HA LYS A 32 15.101 1.278 -3.311 1.00 0.00 H new ATOM 0 HB2 LYS A 32 14.996 3.321 -1.650 1.00 0.00 H new ATOM 0 HB3 LYS A 32 15.922 2.285 -0.582 1.00 0.00 H new ATOM 0 HG2 LYS A 32 17.518 3.598 -1.752 1.00 0.00 H new ATOM 0 HG3 LYS A 32 17.606 2.000 -2.467 1.00 0.00 H new ATOM 0 HD2 LYS A 32 15.745 3.048 -4.109 1.00 0.00 H new ATOM 0 HD3 LYS A 32 16.516 4.545 -3.624 1.00 0.00 H new ATOM 0 HE2 LYS A 32 18.252 2.235 -4.482 1.00 0.00 H new ATOM 0 HE3 LYS A 32 17.402 3.149 -5.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 19.604 4.043 -5.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 18.427 5.182 -4.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 19.251 4.297 -3.679 1.00 0.00 H new ATOM 469 N ALA A 33 16.200 -0.820 -2.630 1.00 0.00 N ATOM 470 CA ALA A 33 16.871 -2.062 -2.267 1.00 0.00 C ATOM 471 C ALA A 33 18.353 -2.009 -2.621 1.00 0.00 C ATOM 472 O ALA A 33 18.756 -1.295 -3.538 1.00 0.00 O ATOM 473 CB ALA A 33 16.204 -3.243 -2.956 1.00 0.00 C ATOM 0 H ALA A 33 16.177 -0.631 -3.632 1.00 0.00 H new ATOM 0 HA ALA A 33 16.786 -2.190 -1.188 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.715 -4.164 -2.676 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.159 -3.300 -2.650 1.00 0.00 H new ATOM 0 HB3 ALA A 33 16.259 -3.112 -4.037 1.00 0.00 H new ATOM 479 N GLU A 34 19.160 -2.768 -1.885 1.00 0.00 N ATOM 480 CA GLU A 34 20.598 -2.805 -2.122 1.00 0.00 C ATOM 481 C GLU A 34 21.043 -4.201 -2.549 1.00 0.00 C ATOM 482 O GLU A 34 21.788 -4.358 -3.517 1.00 0.00 O ATOM 483 CB GLU A 34 21.356 -2.380 -0.862 1.00 0.00 C ATOM 484 CG GLU A 34 20.995 -0.986 -0.377 1.00 0.00 C ATOM 485 CD GLU A 34 21.625 -0.653 0.961 1.00 0.00 C ATOM 486 OE1 GLU A 34 21.542 -1.492 1.882 1.00 0.00 O ATOM 487 OE2 GLU A 34 22.202 0.448 1.087 1.00 0.00 O ATOM 0 H GLU A 34 18.842 -3.364 -1.121 1.00 0.00 H new ATOM 0 HA GLU A 34 20.826 -2.107 -2.928 1.00 0.00 H new ATOM 0 HB2 GLU A 34 21.152 -3.097 -0.066 1.00 0.00 H new ATOM 0 HB3 GLU A 34 22.427 -2.421 -1.061 1.00 0.00 H new ATOM 0 HG2 GLU A 34 21.315 -0.253 -1.118 1.00 0.00 H new ATOM 0 HG3 GLU A 34 19.911 -0.903 -0.295 1.00 0.00 H new ATOM 494 N ASP A 35 20.583 -5.211 -1.820 1.00 0.00 N ATOM 495 CA ASP A 35 20.933 -6.594 -2.122 1.00 0.00 C ATOM 496 C ASP A 35 19.931 -7.208 -3.096 1.00 0.00 C ATOM 497 O ASP A 35 18.815 -6.710 -3.251 1.00 0.00 O ATOM 498 CB ASP A 35 20.987 -7.422 -0.837 1.00 0.00 C ATOM 499 CG ASP A 35 21.952 -8.587 -0.939 1.00 0.00 C ATOM 500 OD1 ASP A 35 23.163 -8.339 -1.114 1.00 0.00 O ATOM 501 OD2 ASP A 35 21.496 -9.746 -0.844 1.00 0.00 O ATOM 0 H ASP A 35 19.967 -5.098 -1.015 1.00 0.00 H new ATOM 0 HA ASP A 35 21.918 -6.600 -2.590 1.00 0.00 H new ATOM 0 HB2 ASP A 35 21.283 -6.780 -0.007 1.00 0.00 H new ATOM 0 HB3 ASP A 35 19.990 -7.799 -0.609 1.00 0.00 H new ATOM 506 N LEU A 36 20.336 -8.291 -3.750 1.00 0.00 N ATOM 507 CA LEU A 36 19.475 -8.972 -4.709 1.00 0.00 C ATOM 508 C LEU A 36 18.915 -10.262 -4.118 1.00 0.00 C ATOM 509 O LEU A 36 17.738 -10.579 -4.295 1.00 0.00 O ATOM 510 CB LEU A 36 20.249 -9.280 -5.992 1.00 0.00 C ATOM 511 CG LEU A 36 20.891 -8.081 -6.692 1.00 0.00 C ATOM 512 CD1 LEU A 36 21.440 -8.488 -8.051 1.00 0.00 C ATOM 513 CD2 LEU A 36 19.886 -6.948 -6.838 1.00 0.00 C ATOM 0 H LEU A 36 21.256 -8.716 -3.633 1.00 0.00 H new ATOM 0 HA LEU A 36 18.642 -8.310 -4.945 1.00 0.00 H new ATOM 0 HB2 LEU A 36 21.033 -10.000 -5.756 1.00 0.00 H new ATOM 0 HB3 LEU A 36 19.571 -9.765 -6.694 1.00 0.00 H new ATOM 0 HG LEU A 36 21.720 -7.727 -6.079 1.00 0.00 H new ATOM 0 HD11 LEU A 36 21.893 -7.622 -8.535 1.00 0.00 H new ATOM 0 HD12 LEU A 36 22.192 -9.266 -7.921 1.00 0.00 H new ATOM 0 HD13 LEU A 36 20.629 -8.867 -8.672 1.00 0.00 H new ATOM 0 HD21 LEU A 36 20.360 -6.103 -7.338 1.00 0.00 H new ATOM 0 HD22 LEU A 36 19.036 -7.289 -7.429 1.00 0.00 H new ATOM 0 HD23 LEU A 36 19.541 -6.638 -5.852 1.00 0.00 H new ATOM 525 N LEU A 37 19.764 -11.001 -3.414 1.00 0.00 N ATOM 526 CA LEU A 37 19.354 -12.256 -2.794 1.00 0.00 C ATOM 527 C LEU A 37 18.167 -12.040 -1.861 1.00 0.00 C ATOM 528 O LEU A 37 17.331 -12.928 -1.688 1.00 0.00 O ATOM 529 CB LEU A 37 20.521 -12.871 -2.019 1.00 0.00 C ATOM 530 CG LEU A 37 21.665 -13.434 -2.863 1.00 0.00 C ATOM 531 CD1 LEU A 37 21.175 -14.589 -3.722 1.00 0.00 C ATOM 532 CD2 LEU A 37 22.275 -12.343 -3.730 1.00 0.00 C ATOM 0 H LEU A 37 20.741 -10.753 -3.258 1.00 0.00 H new ATOM 0 HA LEU A 37 19.051 -12.941 -3.586 1.00 0.00 H new ATOM 0 HB2 LEU A 37 20.928 -12.111 -1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 37 20.132 -13.672 -1.390 1.00 0.00 H new ATOM 0 HG LEU A 37 22.437 -13.810 -2.191 1.00 0.00 H new ATOM 0 HD11 LEU A 37 22.002 -14.977 -4.316 1.00 0.00 H new ATOM 0 HD12 LEU A 37 20.786 -15.380 -3.081 1.00 0.00 H new ATOM 0 HD13 LEU A 37 20.385 -14.239 -4.386 1.00 0.00 H new ATOM 0 HD21 LEU A 37 23.088 -12.762 -4.324 1.00 0.00 H new ATOM 0 HD22 LEU A 37 21.512 -11.937 -4.394 1.00 0.00 H new ATOM 0 HD23 LEU A 37 22.663 -11.547 -3.094 1.00 0.00 H new ATOM 544 N ARG A 38 18.098 -10.855 -1.264 1.00 0.00 N ATOM 545 CA ARG A 38 17.012 -10.522 -0.350 1.00 0.00 C ATOM 546 C ARG A 38 15.912 -9.748 -1.070 1.00 0.00 C ATOM 547 O ARG A 38 16.188 -8.921 -1.940 1.00 0.00 O ATOM 548 CB ARG A 38 17.542 -9.700 0.827 1.00 0.00 C ATOM 549 CG ARG A 38 18.771 -10.303 1.487 1.00 0.00 C ATOM 550 CD ARG A 38 18.390 -11.339 2.533 1.00 0.00 C ATOM 551 NE ARG A 38 19.471 -12.289 2.781 1.00 0.00 N ATOM 552 CZ ARG A 38 20.617 -11.962 3.367 1.00 0.00 C ATOM 553 NH1 ARG A 38 20.831 -10.715 3.763 1.00 0.00 N ATOM 554 NH2 ARG A 38 21.553 -12.884 3.558 1.00 0.00 N ATOM 0 H ARG A 38 18.781 -10.109 -1.397 1.00 0.00 H new ATOM 0 HA ARG A 38 16.589 -11.454 0.026 1.00 0.00 H new ATOM 0 HB2 ARG A 38 17.783 -8.696 0.478 1.00 0.00 H new ATOM 0 HB3 ARG A 38 16.753 -9.598 1.572 1.00 0.00 H new ATOM 0 HG2 ARG A 38 19.403 -10.765 0.729 1.00 0.00 H new ATOM 0 HG3 ARG A 38 19.359 -9.513 1.953 1.00 0.00 H new ATOM 0 HD2 ARG A 38 18.129 -10.835 3.464 1.00 0.00 H new ATOM 0 HD3 ARG A 38 17.502 -11.878 2.203 1.00 0.00 H new ATOM 0 HE ARG A 38 19.339 -13.257 2.488 1.00 0.00 H new ATOM 0 HH11 ARG A 38 20.114 -10.004 3.618 1.00 0.00 H new ATOM 0 HH12 ARG A 38 21.712 -10.467 4.213 1.00 0.00 H new ATOM 0 HH21 ARG A 38 21.392 -13.844 3.255 1.00 0.00 H new ATOM 0 HH22 ARG A 38 22.433 -12.632 4.008 1.00 0.00 H new ATOM 568 N LYS A 39 14.665 -10.023 -0.703 1.00 0.00 N ATOM 569 CA LYS A 39 13.523 -9.353 -1.313 1.00 0.00 C ATOM 570 C LYS A 39 12.531 -8.892 -0.250 1.00 0.00 C ATOM 571 O LYS A 39 12.006 -9.687 0.529 1.00 0.00 O ATOM 572 CB LYS A 39 12.826 -10.288 -2.304 1.00 0.00 C ATOM 573 CG LYS A 39 11.502 -9.752 -2.819 1.00 0.00 C ATOM 574 CD LYS A 39 10.743 -10.805 -3.609 1.00 0.00 C ATOM 575 CE LYS A 39 11.464 -11.159 -4.901 1.00 0.00 C ATOM 576 NZ LYS A 39 10.632 -12.027 -5.780 1.00 0.00 N ATOM 0 H LYS A 39 14.420 -10.706 0.014 1.00 0.00 H new ATOM 0 HA LYS A 39 13.891 -8.477 -1.847 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.490 -10.467 -3.150 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.656 -11.251 -1.823 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.893 -9.417 -1.979 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.682 -8.882 -3.450 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.623 -11.701 -3.001 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.742 -10.439 -3.838 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.724 -10.245 -5.434 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.399 -11.668 -4.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.158 -12.246 -6.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.405 -12.911 -5.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.751 -11.531 -6.024 1.00 0.00 H new ATOM 590 N PRO A 40 12.266 -7.577 -0.217 1.00 0.00 N ATOM 591 CA PRO A 40 11.334 -6.982 0.745 1.00 0.00 C ATOM 592 C PRO A 40 9.886 -7.366 0.463 1.00 0.00 C ATOM 593 O PRO A 40 9.344 -7.051 -0.597 1.00 0.00 O ATOM 594 CB PRO A 40 11.536 -5.477 0.550 1.00 0.00 C ATOM 595 CG PRO A 40 12.036 -5.340 -0.847 1.00 0.00 C ATOM 596 CD PRO A 40 12.856 -6.571 -1.116 1.00 0.00 C ATOM 0 HA PRO A 40 11.525 -7.323 1.762 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.604 -4.931 0.692 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.252 -5.077 1.268 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.208 -5.261 -1.552 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.638 -4.438 -0.959 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.790 -6.877 -2.160 1.00 0.00 H new ATOM 0 HD3 PRO A 40 13.911 -6.407 -0.898 1.00 0.00 H new ATOM 604 N THR A 41 9.262 -8.049 1.418 1.00 0.00 N ATOM 605 CA THR A 41 7.877 -8.476 1.272 1.00 0.00 C ATOM 606 C THR A 41 6.913 -7.355 1.643 1.00 0.00 C ATOM 607 O THR A 41 7.100 -6.671 2.650 1.00 0.00 O ATOM 608 CB THR A 41 7.574 -9.708 2.146 1.00 0.00 C ATOM 609 OG1 THR A 41 8.571 -10.714 1.937 1.00 0.00 O ATOM 610 CG2 THR A 41 6.199 -10.275 1.824 1.00 0.00 C ATOM 0 H THR A 41 9.695 -8.318 2.301 1.00 0.00 H new ATOM 0 HA THR A 41 7.737 -8.739 0.224 1.00 0.00 H new ATOM 0 HB THR A 41 7.586 -9.397 3.191 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.372 -11.493 2.497 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.007 -11.144 2.453 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.439 -9.516 2.012 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.164 -10.571 0.776 1.00 0.00 H new ATOM 618 N ILE A 42 5.883 -7.171 0.824 1.00 0.00 N ATOM 619 CA ILE A 42 4.889 -6.133 1.068 1.00 0.00 C ATOM 620 C ILE A 42 3.518 -6.740 1.349 1.00 0.00 C ATOM 621 O ILE A 42 3.002 -7.529 0.558 1.00 0.00 O ATOM 622 CB ILE A 42 4.776 -5.169 -0.128 1.00 0.00 C ATOM 623 CG1 ILE A 42 3.819 -4.022 0.202 1.00 0.00 C ATOM 624 CG2 ILE A 42 4.308 -5.917 -1.368 1.00 0.00 C ATOM 625 CD1 ILE A 42 4.120 -2.748 -0.555 1.00 0.00 C ATOM 0 H ILE A 42 5.715 -7.727 -0.014 1.00 0.00 H new ATOM 0 HA ILE A 42 5.223 -5.575 1.943 1.00 0.00 H new ATOM 0 HB ILE A 42 5.761 -4.748 -0.331 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.799 -4.335 -0.021 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.864 -3.819 1.272 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.233 -5.223 -2.205 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.024 -6.702 -1.611 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.332 -6.362 -1.177 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.402 -1.978 -0.272 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.128 -2.411 -0.314 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.047 -2.935 -1.626 1.00 0.00 H new ATOM 637 N LYS A 43 2.933 -6.365 2.481 1.00 0.00 N ATOM 638 CA LYS A 43 1.620 -6.868 2.867 1.00 0.00 C ATOM 639 C LYS A 43 0.624 -5.724 3.029 1.00 0.00 C ATOM 640 O LYS A 43 0.797 -4.855 3.883 1.00 0.00 O ATOM 641 CB LYS A 43 1.718 -7.661 4.172 1.00 0.00 C ATOM 642 CG LYS A 43 0.491 -8.507 4.464 1.00 0.00 C ATOM 643 CD LYS A 43 0.564 -9.855 3.769 1.00 0.00 C ATOM 644 CE LYS A 43 1.382 -10.854 4.574 1.00 0.00 C ATOM 645 NZ LYS A 43 1.732 -12.059 3.772 1.00 0.00 N ATOM 0 H LYS A 43 3.348 -5.714 3.148 1.00 0.00 H new ATOM 0 HA LYS A 43 1.264 -7.526 2.074 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.594 -8.309 4.129 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.875 -6.967 4.998 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.399 -8.656 5.540 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.404 -7.977 4.138 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.443 -10.244 3.620 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.007 -9.732 2.781 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.295 -10.375 4.927 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.819 -11.156 5.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.289 -12.715 4.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.861 -12.531 3.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.291 -11.774 2.943 1.00 0.00 H new ATOM 659 N TRP A 44 -0.417 -5.731 2.205 1.00 0.00 N ATOM 660 CA TRP A 44 -1.441 -4.694 2.259 1.00 0.00 C ATOM 661 C TRP A 44 -2.484 -5.012 3.325 1.00 0.00 C ATOM 662 O TRP A 44 -2.829 -6.174 3.541 1.00 0.00 O ATOM 663 CB TRP A 44 -2.117 -4.545 0.895 1.00 0.00 C ATOM 664 CG TRP A 44 -1.154 -4.260 -0.218 1.00 0.00 C ATOM 665 CD1 TRP A 44 -0.395 -5.169 -0.897 1.00 0.00 C ATOM 666 CD2 TRP A 44 -0.847 -2.979 -0.778 1.00 0.00 C ATOM 667 NE1 TRP A 44 0.367 -4.530 -1.846 1.00 0.00 N ATOM 668 CE2 TRP A 44 0.107 -3.186 -1.794 1.00 0.00 C ATOM 669 CE3 TRP A 44 -1.286 -1.677 -0.522 1.00 0.00 C ATOM 670 CZ2 TRP A 44 0.628 -2.140 -2.550 1.00 0.00 C ATOM 671 CZ3 TRP A 44 -0.767 -0.639 -1.273 1.00 0.00 C ATOM 672 CH2 TRP A 44 0.181 -0.875 -2.278 1.00 0.00 C ATOM 0 H TRP A 44 -0.575 -6.443 1.492 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.956 -3.754 2.522 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.664 -5.460 0.667 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.850 -3.740 0.947 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -0.393 -6.234 -0.715 1.00 0.00 H new ATOM 0 HE1 TRP A 44 1.020 -4.983 -2.485 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.018 -1.485 0.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.359 -2.320 -3.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.098 0.371 -1.082 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.566 -0.043 -2.849 1.00 0.00 H new ATOM 683 N PHE A 45 -2.982 -3.974 3.988 1.00 0.00 N ATOM 684 CA PHE A 45 -3.986 -4.145 5.032 1.00 0.00 C ATOM 685 C PHE A 45 -5.042 -3.047 4.955 1.00 0.00 C ATOM 686 O PHE A 45 -4.846 -2.025 4.297 1.00 0.00 O ATOM 687 CB PHE A 45 -3.323 -4.135 6.411 1.00 0.00 C ATOM 688 CG PHE A 45 -2.609 -5.414 6.742 1.00 0.00 C ATOM 689 CD1 PHE A 45 -3.320 -6.551 7.091 1.00 0.00 C ATOM 690 CD2 PHE A 45 -1.225 -5.479 6.706 1.00 0.00 C ATOM 691 CE1 PHE A 45 -2.666 -7.729 7.395 1.00 0.00 C ATOM 692 CE2 PHE A 45 -0.565 -6.655 7.009 1.00 0.00 C ATOM 693 CZ PHE A 45 -1.286 -7.781 7.355 1.00 0.00 C ATOM 0 H PHE A 45 -2.707 -3.006 3.821 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.475 -5.107 4.878 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.613 -3.309 6.458 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.083 -3.946 7.169 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.399 -6.516 7.126 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.656 -4.601 6.438 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.233 -8.608 7.664 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.514 -6.693 6.975 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.772 -8.700 7.594 1.00 0.00 H new ATOM 703 N LYS A 46 -6.165 -3.266 5.632 1.00 0.00 N ATOM 704 CA LYS A 46 -7.254 -2.297 5.643 1.00 0.00 C ATOM 705 C LYS A 46 -8.175 -2.526 6.837 1.00 0.00 C ATOM 706 O LYS A 46 -8.388 -3.661 7.260 1.00 0.00 O ATOM 707 CB LYS A 46 -8.056 -2.386 4.342 1.00 0.00 C ATOM 708 CG LYS A 46 -8.860 -1.135 4.036 1.00 0.00 C ATOM 709 CD LYS A 46 -10.260 -1.214 4.621 1.00 0.00 C ATOM 710 CE LYS A 46 -11.127 -0.056 4.152 1.00 0.00 C ATOM 711 NZ LYS A 46 -11.742 -0.327 2.822 1.00 0.00 N ATOM 0 H LYS A 46 -6.344 -4.107 6.180 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.820 -1.301 5.728 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.372 -2.579 3.516 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.734 -3.238 4.400 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.345 -0.263 4.439 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.923 -0.997 2.957 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.723 -2.157 4.332 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.201 -1.208 5.709 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.913 0.130 4.884 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.524 0.850 4.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.354 0.334 2.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.529 -1.303 2.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.773 -0.201 2.884 1.00 0.00 H new ATOM 725 N GLY A 47 -8.719 -1.439 7.376 1.00 0.00 N ATOM 726 CA GLY A 47 -9.611 -1.544 8.516 1.00 0.00 C ATOM 727 C GLY A 47 -8.868 -1.793 9.813 1.00 0.00 C ATOM 728 O GLY A 47 -7.895 -1.105 10.123 1.00 0.00 O ATOM 0 H GLY A 47 -8.558 -0.488 7.044 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.192 -0.626 8.604 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.320 -2.355 8.345 1.00 0.00 H new ATOM 732 N LYS A 48 -9.327 -2.779 10.576 1.00 0.00 N ATOM 733 CA LYS A 48 -8.701 -3.119 11.848 1.00 0.00 C ATOM 734 C LYS A 48 -7.870 -4.392 11.723 1.00 0.00 C ATOM 735 O LYS A 48 -6.687 -4.408 12.062 1.00 0.00 O ATOM 736 CB LYS A 48 -9.765 -3.296 12.934 1.00 0.00 C ATOM 737 CG LYS A 48 -10.119 -2.006 13.654 1.00 0.00 C ATOM 738 CD LYS A 48 -10.673 -2.278 15.043 1.00 0.00 C ATOM 739 CE LYS A 48 -10.398 -1.119 15.989 1.00 0.00 C ATOM 740 NZ LYS A 48 -10.999 0.152 15.499 1.00 0.00 N ATOM 0 H LYS A 48 -10.132 -3.358 10.335 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.039 -2.300 12.128 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.667 -3.710 12.483 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.410 -4.024 13.664 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.233 -1.376 13.731 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.854 -1.452 13.070 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.747 -2.451 14.980 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.227 -3.189 15.442 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.798 -1.353 16.976 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.322 -0.991 16.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.892 0.889 16.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.516 0.451 14.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.009 0.005 15.301 1.00 0.00 H new ATOM 754 N TRP A 49 -8.498 -5.456 11.234 1.00 0.00 N ATOM 755 CA TRP A 49 -7.815 -6.734 11.063 1.00 0.00 C ATOM 756 C TRP A 49 -7.876 -7.193 9.611 1.00 0.00 C ATOM 757 O TRP A 49 -7.015 -7.942 9.151 1.00 0.00 O ATOM 758 CB TRP A 49 -8.438 -7.794 11.973 1.00 0.00 C ATOM 759 CG TRP A 49 -9.011 -7.229 13.238 1.00 0.00 C ATOM 760 CD1 TRP A 49 -10.138 -6.466 13.358 1.00 0.00 C ATOM 761 CD2 TRP A 49 -8.484 -7.381 14.560 1.00 0.00 C ATOM 762 NE1 TRP A 49 -10.343 -6.134 14.675 1.00 0.00 N ATOM 763 CE2 TRP A 49 -9.343 -6.684 15.433 1.00 0.00 C ATOM 764 CE3 TRP A 49 -7.373 -8.039 15.092 1.00 0.00 C ATOM 765 CZ2 TRP A 49 -9.121 -6.627 16.807 1.00 0.00 C ATOM 766 CZ3 TRP A 49 -7.154 -7.981 16.455 1.00 0.00 C ATOM 767 CH2 TRP A 49 -8.025 -7.281 17.300 1.00 0.00 C ATOM 0 H TRP A 49 -9.477 -5.459 10.949 1.00 0.00 H new ATOM 0 HA TRP A 49 -6.769 -6.599 11.338 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -9.225 -8.314 11.427 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -7.681 -8.536 12.225 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -10.774 -6.168 12.538 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -11.114 -5.570 15.031 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -6.697 -8.584 14.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -9.790 -6.086 17.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -6.296 -8.484 16.876 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -7.827 -7.257 18.362 1.00 0.00 H new ATOM 778 N MET A 50 -8.899 -6.740 8.894 1.00 0.00 N ATOM 779 CA MET A 50 -9.071 -7.105 7.492 1.00 0.00 C ATOM 780 C MET A 50 -7.741 -7.042 6.748 1.00 0.00 C ATOM 781 O MET A 50 -7.023 -6.045 6.821 1.00 0.00 O ATOM 782 CB MET A 50 -10.087 -6.178 6.822 1.00 0.00 C ATOM 783 CG MET A 50 -10.869 -6.842 5.701 1.00 0.00 C ATOM 784 SD MET A 50 -11.756 -5.655 4.675 1.00 0.00 S ATOM 785 CE MET A 50 -10.551 -5.354 3.385 1.00 0.00 C ATOM 0 H MET A 50 -9.621 -6.120 9.260 1.00 0.00 H new ATOM 0 HA MET A 50 -9.443 -8.129 7.452 1.00 0.00 H new ATOM 0 HB2 MET A 50 -10.786 -5.814 7.575 1.00 0.00 H new ATOM 0 HB3 MET A 50 -9.565 -5.308 6.424 1.00 0.00 H new ATOM 0 HG2 MET A 50 -10.185 -7.416 5.076 1.00 0.00 H new ATOM 0 HG3 MET A 50 -11.580 -7.549 6.129 1.00 0.00 H new ATOM 0 HE1 MET A 50 -10.610 -4.313 3.068 1.00 0.00 H new ATOM 0 HE2 MET A 50 -9.551 -5.561 3.766 1.00 0.00 H new ATOM 0 HE3 MET A 50 -10.758 -6.005 2.535 1.00 0.00 H new ATOM 795 N ASP A 51 -7.418 -8.114 6.032 1.00 0.00 N ATOM 796 CA ASP A 51 -6.174 -8.181 5.274 1.00 0.00 C ATOM 797 C ASP A 51 -6.455 -8.324 3.781 1.00 0.00 C ATOM 798 O ASP A 51 -6.865 -9.387 3.315 1.00 0.00 O ATOM 799 CB ASP A 51 -5.318 -9.352 5.759 1.00 0.00 C ATOM 800 CG ASP A 51 -3.894 -9.280 5.245 1.00 0.00 C ATOM 801 OD1 ASP A 51 -3.455 -8.174 4.863 1.00 0.00 O ATOM 802 OD2 ASP A 51 -3.217 -10.329 5.224 1.00 0.00 O ATOM 0 H ASP A 51 -8.001 -8.948 5.961 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.628 -7.251 5.436 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.308 -9.364 6.849 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.771 -10.289 5.434 1.00 0.00 H new ATOM 807 N LEU A 52 -6.232 -7.246 3.037 1.00 0.00 N ATOM 808 CA LEU A 52 -6.462 -7.251 1.596 1.00 0.00 C ATOM 809 C LEU A 52 -5.719 -8.404 0.930 1.00 0.00 C ATOM 810 O LEU A 52 -6.184 -8.964 -0.062 1.00 0.00 O ATOM 811 CB LEU A 52 -6.017 -5.921 0.985 1.00 0.00 C ATOM 812 CG LEU A 52 -6.523 -4.658 1.683 1.00 0.00 C ATOM 813 CD1 LEU A 52 -5.945 -3.416 1.024 1.00 0.00 C ATOM 814 CD2 LEU A 52 -8.044 -4.613 1.668 1.00 0.00 C ATOM 0 H LEU A 52 -5.893 -6.358 3.407 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.530 -7.384 1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.927 -5.895 0.976 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.345 -5.894 -0.054 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.190 -4.682 2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.316 -2.527 1.534 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.857 -3.443 1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.247 -3.386 -0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.386 -3.707 2.169 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.398 -4.613 0.637 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.439 -5.486 2.187 1.00 0.00 H new ATOM 826 N ALA A 53 -4.563 -8.754 1.483 1.00 0.00 N ATOM 827 CA ALA A 53 -3.757 -9.844 0.945 1.00 0.00 C ATOM 828 C ALA A 53 -4.616 -11.070 0.655 1.00 0.00 C ATOM 829 O ALA A 53 -4.606 -11.597 -0.458 1.00 0.00 O ATOM 830 CB ALA A 53 -2.637 -10.199 1.911 1.00 0.00 C ATOM 0 H ALA A 53 -4.163 -8.299 2.303 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.318 -9.509 0.005 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.044 -11.014 1.496 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.000 -9.328 2.065 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.064 -10.510 2.865 1.00 0.00 H new ATOM 836 N SER A 54 -5.359 -11.519 1.662 1.00 0.00 N ATOM 837 CA SER A 54 -6.220 -12.686 1.515 1.00 0.00 C ATOM 838 C SER A 54 -7.472 -12.340 0.714 1.00 0.00 C ATOM 839 O SER A 54 -8.218 -13.224 0.293 1.00 0.00 O ATOM 840 CB SER A 54 -6.614 -13.231 2.889 1.00 0.00 C ATOM 841 OG SER A 54 -5.623 -12.937 3.858 1.00 0.00 O ATOM 0 H SER A 54 -5.382 -11.092 2.588 1.00 0.00 H new ATOM 0 HA SER A 54 -5.664 -13.452 0.974 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.566 -12.799 3.196 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.759 -14.310 2.828 1.00 0.00 H new ATOM 0 HG SER A 54 -5.900 -13.294 4.728 1.00 0.00 H new ATOM 847 N LYS A 55 -7.696 -11.047 0.509 1.00 0.00 N ATOM 848 CA LYS A 55 -8.856 -10.581 -0.242 1.00 0.00 C ATOM 849 C LYS A 55 -8.584 -10.618 -1.742 1.00 0.00 C ATOM 850 O LYS A 55 -9.491 -10.851 -2.541 1.00 0.00 O ATOM 851 CB LYS A 55 -9.228 -9.159 0.185 1.00 0.00 C ATOM 852 CG LYS A 55 -9.588 -9.040 1.656 1.00 0.00 C ATOM 853 CD LYS A 55 -10.870 -9.789 1.978 1.00 0.00 C ATOM 854 CE LYS A 55 -11.455 -9.346 3.310 1.00 0.00 C ATOM 855 NZ LYS A 55 -12.205 -10.444 3.980 1.00 0.00 N ATOM 0 H LYS A 55 -7.089 -10.302 0.852 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.690 -11.249 -0.026 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.392 -8.493 -0.031 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.071 -8.817 -0.416 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.773 -9.433 2.264 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.704 -7.989 1.919 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.599 -9.621 1.185 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.670 -10.860 2.006 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.652 -9.004 3.963 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.120 -8.497 3.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.588 -10.101 4.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.987 -10.754 3.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.565 -11.245 4.156 1.00 0.00 H new ATOM 869 N ALA A 56 -7.330 -10.388 -2.118 1.00 0.00 N ATOM 870 CA ALA A 56 -6.939 -10.399 -3.522 1.00 0.00 C ATOM 871 C ALA A 56 -7.202 -11.761 -4.154 1.00 0.00 C ATOM 872 O ALA A 56 -6.579 -12.757 -3.789 1.00 0.00 O ATOM 873 CB ALA A 56 -5.471 -10.023 -3.663 1.00 0.00 C ATOM 0 H ALA A 56 -6.568 -10.192 -1.469 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.544 -9.661 -4.049 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.192 -10.035 -4.717 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.311 -9.024 -3.256 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.858 -10.740 -3.117 1.00 0.00 H new ATOM 879 N GLY A 57 -8.131 -11.797 -5.105 1.00 0.00 N ATOM 880 CA GLY A 57 -8.461 -13.043 -5.773 1.00 0.00 C ATOM 881 C GLY A 57 -9.805 -12.988 -6.472 1.00 0.00 C ATOM 882 O GLY A 57 -9.988 -13.587 -7.531 1.00 0.00 O ATOM 0 H GLY A 57 -8.661 -10.986 -5.425 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.685 -13.277 -6.502 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.467 -13.852 -5.043 1.00 0.00 H new ATOM 886 N LYS A 58 -10.750 -12.268 -5.877 1.00 0.00 N ATOM 887 CA LYS A 58 -12.086 -12.137 -6.447 1.00 0.00 C ATOM 888 C LYS A 58 -12.242 -10.799 -7.163 1.00 0.00 C ATOM 889 O LYS A 58 -12.285 -10.743 -8.392 1.00 0.00 O ATOM 890 CB LYS A 58 -13.146 -12.268 -5.351 1.00 0.00 C ATOM 891 CG LYS A 58 -14.564 -12.364 -5.886 1.00 0.00 C ATOM 892 CD LYS A 58 -14.964 -13.805 -6.153 1.00 0.00 C ATOM 893 CE LYS A 58 -15.283 -14.543 -4.862 1.00 0.00 C ATOM 894 NZ LYS A 58 -15.974 -15.837 -5.118 1.00 0.00 N ATOM 0 H LYS A 58 -10.615 -11.766 -4.999 1.00 0.00 H new ATOM 0 HA LYS A 58 -12.224 -12.937 -7.174 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.931 -13.154 -4.753 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.075 -11.409 -4.684 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.255 -11.921 -5.169 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -14.646 -11.786 -6.807 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.833 -13.827 -6.810 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.156 -14.317 -6.676 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.360 -14.727 -4.312 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.911 -13.915 -4.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -16.174 -16.309 -4.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.867 -15.660 -5.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -15.364 -16.447 -5.699 1.00 0.00 H new ATOM 908 N HIS A 59 -12.326 -9.724 -6.386 1.00 0.00 N ATOM 909 CA HIS A 59 -12.476 -8.385 -6.947 1.00 0.00 C ATOM 910 C HIS A 59 -11.227 -7.547 -6.692 1.00 0.00 C ATOM 911 O HIS A 59 -11.204 -6.347 -6.972 1.00 0.00 O ATOM 912 CB HIS A 59 -13.700 -7.693 -6.349 1.00 0.00 C ATOM 913 CG HIS A 59 -15.002 -8.252 -6.835 1.00 0.00 C ATOM 914 ND1 HIS A 59 -15.384 -8.227 -8.159 1.00 0.00 N ATOM 915 CD2 HIS A 59 -16.011 -8.855 -6.165 1.00 0.00 C ATOM 916 CE1 HIS A 59 -16.573 -8.790 -8.283 1.00 0.00 C ATOM 917 NE2 HIS A 59 -16.976 -9.180 -7.087 1.00 0.00 N ATOM 0 H HIS A 59 -12.293 -9.753 -5.367 1.00 0.00 H new ATOM 0 HA HIS A 59 -12.614 -8.482 -8.024 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -13.661 -7.778 -5.263 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -13.659 -6.630 -6.587 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -16.050 -9.045 -5.103 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -17.122 -8.911 -9.205 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -17.860 -9.646 -6.882 1.00 0.00 H new ATOM 926 N LEU A 60 -10.191 -8.184 -6.159 1.00 0.00 N ATOM 927 CA LEU A 60 -8.938 -7.497 -5.865 1.00 0.00 C ATOM 928 C LEU A 60 -7.747 -8.279 -6.409 1.00 0.00 C ATOM 929 O LEU A 60 -7.755 -9.510 -6.423 1.00 0.00 O ATOM 930 CB LEU A 60 -8.785 -7.296 -4.356 1.00 0.00 C ATOM 931 CG LEU A 60 -7.415 -6.812 -3.879 1.00 0.00 C ATOM 932 CD1 LEU A 60 -7.364 -5.292 -3.857 1.00 0.00 C ATOM 933 CD2 LEU A 60 -7.100 -7.378 -2.502 1.00 0.00 C ATOM 0 H LEU A 60 -10.193 -9.176 -5.921 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.963 -6.523 -6.354 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.536 -6.578 -4.027 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.008 -8.240 -3.859 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.660 -7.170 -4.579 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.382 -4.966 -3.515 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.545 -4.907 -4.861 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.129 -4.912 -3.179 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.122 -7.023 -2.178 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.859 -7.050 -1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.094 -8.467 -2.549 1.00 0.00 H new ATOM 945 N GLN A 61 -6.724 -7.556 -6.854 1.00 0.00 N ATOM 946 CA GLN A 61 -5.525 -8.183 -7.397 1.00 0.00 C ATOM 947 C GLN A 61 -4.295 -7.320 -7.139 1.00 0.00 C ATOM 948 O GLN A 61 -4.254 -6.149 -7.519 1.00 0.00 O ATOM 949 CB GLN A 61 -5.687 -8.426 -8.899 1.00 0.00 C ATOM 950 CG GLN A 61 -6.714 -9.496 -9.235 1.00 0.00 C ATOM 951 CD GLN A 61 -6.188 -10.900 -9.011 1.00 0.00 C ATOM 952 OE1 GLN A 61 -5.313 -11.371 -9.739 1.00 0.00 O ATOM 953 NE2 GLN A 61 -6.720 -11.578 -8.001 1.00 0.00 N ATOM 0 H GLN A 61 -6.702 -6.536 -6.849 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.386 -9.140 -6.894 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.977 -7.492 -9.381 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.723 -8.715 -9.318 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.604 -9.344 -8.625 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.019 -9.388 -10.276 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.443 -11.149 -7.423 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.406 -12.528 -7.803 1.00 0.00 H new ATOM 962 N LEU A 62 -3.293 -7.905 -6.492 1.00 0.00 N ATOM 963 CA LEU A 62 -2.060 -7.189 -6.183 1.00 0.00 C ATOM 964 C LEU A 62 -0.990 -7.469 -7.233 1.00 0.00 C ATOM 965 O LEU A 62 -1.113 -8.401 -8.028 1.00 0.00 O ATOM 966 CB LEU A 62 -1.549 -7.589 -4.798 1.00 0.00 C ATOM 967 CG LEU A 62 -2.595 -7.634 -3.683 1.00 0.00 C ATOM 968 CD1 LEU A 62 -1.979 -8.155 -2.394 1.00 0.00 C ATOM 969 CD2 LEU A 62 -3.203 -6.256 -3.467 1.00 0.00 C ATOM 0 H LEU A 62 -3.310 -8.873 -6.171 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.277 -6.121 -6.189 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.086 -8.573 -4.874 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.766 -6.890 -4.506 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.390 -8.317 -3.983 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.738 -8.180 -1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.592 -9.161 -2.556 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.165 -7.498 -2.088 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.945 -6.307 -2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.419 -5.552 -3.188 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.681 -5.921 -4.387 1.00 0.00 H new ATOM 981 N LYS A 63 0.062 -6.657 -7.230 1.00 0.00 N ATOM 982 CA LYS A 63 1.156 -6.818 -8.179 1.00 0.00 C ATOM 983 C LYS A 63 2.502 -6.577 -7.503 1.00 0.00 C ATOM 984 O LYS A 63 2.601 -5.798 -6.556 1.00 0.00 O ATOM 985 CB LYS A 63 0.985 -5.854 -9.355 1.00 0.00 C ATOM 986 CG LYS A 63 1.412 -6.440 -10.690 1.00 0.00 C ATOM 987 CD LYS A 63 0.249 -7.113 -11.400 1.00 0.00 C ATOM 988 CE LYS A 63 0.635 -7.555 -12.804 1.00 0.00 C ATOM 989 NZ LYS A 63 1.445 -8.804 -12.790 1.00 0.00 N ATOM 0 H LYS A 63 0.179 -5.880 -6.580 1.00 0.00 H new ATOM 0 HA LYS A 63 1.133 -7.842 -8.551 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.061 -5.553 -9.418 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.565 -4.952 -9.162 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.818 -5.650 -11.322 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.211 -7.164 -10.532 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.081 -7.977 -10.823 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.594 -6.424 -11.453 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.267 -7.714 -13.395 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.200 -6.761 -13.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.687 -9.071 -13.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.318 -8.646 -12.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.896 -9.569 -12.348 1.00 0.00 H new ATOM 1003 N GLU A 64 3.537 -7.251 -7.998 1.00 0.00 N ATOM 1004 CA GLU A 64 4.877 -7.109 -7.441 1.00 0.00 C ATOM 1005 C GLU A 64 5.939 -7.373 -8.504 1.00 0.00 C ATOM 1006 O GLU A 64 5.895 -8.384 -9.205 1.00 0.00 O ATOM 1007 CB GLU A 64 5.068 -8.067 -6.264 1.00 0.00 C ATOM 1008 CG GLU A 64 6.525 -8.379 -5.963 1.00 0.00 C ATOM 1009 CD GLU A 64 6.685 -9.462 -4.913 1.00 0.00 C ATOM 1010 OE1 GLU A 64 6.260 -10.607 -5.173 1.00 0.00 O ATOM 1011 OE2 GLU A 64 7.235 -9.164 -3.833 1.00 0.00 O ATOM 0 H GLU A 64 3.472 -7.900 -8.783 1.00 0.00 H new ATOM 0 HA GLU A 64 4.989 -6.084 -7.088 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.607 -7.635 -5.376 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.542 -8.998 -6.475 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.023 -8.692 -6.881 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.024 -7.472 -5.623 1.00 0.00 H new ATOM 1018 N THR A 65 6.894 -6.455 -8.619 1.00 0.00 N ATOM 1019 CA THR A 65 7.966 -6.586 -9.597 1.00 0.00 C ATOM 1020 C THR A 65 9.280 -6.042 -9.049 1.00 0.00 C ATOM 1021 O THR A 65 9.290 -5.244 -8.111 1.00 0.00 O ATOM 1022 CB THR A 65 7.625 -5.851 -10.907 1.00 0.00 C ATOM 1023 OG1 THR A 65 8.569 -6.201 -11.925 1.00 0.00 O ATOM 1024 CG2 THR A 65 7.633 -4.344 -10.699 1.00 0.00 C ATOM 0 H THR A 65 6.946 -5.613 -8.046 1.00 0.00 H new ATOM 0 HA THR A 65 8.075 -7.650 -9.805 1.00 0.00 H new ATOM 0 HB THR A 65 6.626 -6.154 -11.219 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.344 -5.731 -12.755 1.00 0.00 H new ATOM 0 HG21 THR A 65 7.390 -3.846 -11.637 1.00 0.00 H new ATOM 0 HG22 THR A 65 6.894 -4.077 -9.944 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.622 -4.028 -10.366 1.00 0.00 H new ATOM 1032 N PHE A 66 10.388 -6.476 -9.640 1.00 0.00 N ATOM 1033 CA PHE A 66 11.709 -6.032 -9.210 1.00 0.00 C ATOM 1034 C PHE A 66 12.497 -5.456 -10.382 1.00 0.00 C ATOM 1035 O PHE A 66 12.357 -5.907 -11.518 1.00 0.00 O ATOM 1036 CB PHE A 66 12.482 -7.194 -8.582 1.00 0.00 C ATOM 1037 CG PHE A 66 13.924 -6.875 -8.307 1.00 0.00 C ATOM 1038 CD1 PHE A 66 14.268 -5.889 -7.397 1.00 0.00 C ATOM 1039 CD2 PHE A 66 14.935 -7.562 -8.959 1.00 0.00 C ATOM 1040 CE1 PHE A 66 15.593 -5.594 -7.141 1.00 0.00 C ATOM 1041 CE2 PHE A 66 16.263 -7.272 -8.707 1.00 0.00 C ATOM 1042 CZ PHE A 66 16.592 -6.285 -7.798 1.00 0.00 C ATOM 0 H PHE A 66 10.398 -7.135 -10.418 1.00 0.00 H new ATOM 0 HA PHE A 66 11.577 -5.248 -8.464 1.00 0.00 H new ATOM 0 HB2 PHE A 66 11.997 -7.480 -7.649 1.00 0.00 H new ATOM 0 HB3 PHE A 66 12.429 -8.056 -9.246 1.00 0.00 H new ATOM 0 HD1 PHE A 66 13.491 -5.344 -6.881 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.683 -8.333 -9.672 1.00 0.00 H new ATOM 0 HE1 PHE A 66 15.847 -4.824 -6.428 1.00 0.00 H new ATOM 0 HE2 PHE A 66 17.042 -7.816 -9.220 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.629 -6.054 -7.602 1.00 0.00 H new ATOM 1052 N GLU A 67 13.326 -4.457 -10.096 1.00 0.00 N ATOM 1053 CA GLU A 67 14.135 -3.818 -11.127 1.00 0.00 C ATOM 1054 C GLU A 67 15.600 -3.747 -10.703 1.00 0.00 C ATOM 1055 O GLU A 67 16.021 -2.796 -10.046 1.00 0.00 O ATOM 1056 CB GLU A 67 13.610 -2.411 -11.422 1.00 0.00 C ATOM 1057 CG GLU A 67 12.526 -2.377 -12.486 1.00 0.00 C ATOM 1058 CD GLU A 67 12.250 -0.975 -12.993 1.00 0.00 C ATOM 1059 OE1 GLU A 67 13.162 -0.373 -13.598 1.00 0.00 O ATOM 1060 OE2 GLU A 67 11.123 -0.479 -12.784 1.00 0.00 O ATOM 0 H GLU A 67 13.455 -4.073 -9.160 1.00 0.00 H new ATOM 0 HA GLU A 67 14.065 -4.421 -12.032 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.218 -1.978 -10.502 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.441 -1.782 -11.741 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.823 -3.010 -13.322 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.608 -2.799 -12.077 1.00 0.00 H new ATOM 1067 N ARG A 68 16.370 -4.761 -11.084 1.00 0.00 N ATOM 1068 CA ARG A 68 17.786 -4.816 -10.742 1.00 0.00 C ATOM 1069 C ARG A 68 18.527 -3.605 -11.301 1.00 0.00 C ATOM 1070 O ARG A 68 19.479 -3.113 -10.695 1.00 0.00 O ATOM 1071 CB ARG A 68 18.413 -6.103 -11.280 1.00 0.00 C ATOM 1072 CG ARG A 68 17.744 -6.626 -12.541 1.00 0.00 C ATOM 1073 CD ARG A 68 16.739 -7.722 -12.224 1.00 0.00 C ATOM 1074 NE ARG A 68 16.664 -8.721 -13.288 1.00 0.00 N ATOM 1075 CZ ARG A 68 15.800 -9.729 -13.289 1.00 0.00 C ATOM 1076 NH1 ARG A 68 14.941 -9.873 -12.289 1.00 0.00 N ATOM 1077 NH2 ARG A 68 15.793 -10.597 -14.293 1.00 0.00 N ATOM 0 H ARG A 68 16.037 -5.556 -11.630 1.00 0.00 H new ATOM 0 HA ARG A 68 17.872 -4.804 -9.655 1.00 0.00 H new ATOM 0 HB2 ARG A 68 19.468 -5.924 -11.486 1.00 0.00 H new ATOM 0 HB3 ARG A 68 18.365 -6.871 -10.508 1.00 0.00 H new ATOM 0 HG2 ARG A 68 17.241 -5.806 -13.054 1.00 0.00 H new ATOM 0 HG3 ARG A 68 18.502 -7.012 -13.223 1.00 0.00 H new ATOM 0 HD2 ARG A 68 17.016 -8.209 -11.289 1.00 0.00 H new ATOM 0 HD3 ARG A 68 15.755 -7.279 -12.073 1.00 0.00 H new ATOM 0 HE ARG A 68 17.311 -8.639 -14.073 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.943 -9.208 -11.516 1.00 0.00 H new ATOM 0 HH12 ARG A 68 14.279 -10.649 -12.293 1.00 0.00 H new ATOM 0 HH21 ARG A 68 16.452 -10.490 -15.064 1.00 0.00 H new ATOM 0 HH22 ARG A 68 15.129 -11.371 -14.293 1.00 0.00 H new ATOM 1091 N HIS A 69 18.083 -3.129 -12.460 1.00 0.00 N ATOM 1092 CA HIS A 69 18.704 -1.975 -13.100 1.00 0.00 C ATOM 1093 C HIS A 69 19.094 -0.923 -12.065 1.00 0.00 C ATOM 1094 O HIS A 69 20.181 -0.349 -12.129 1.00 0.00 O ATOM 1095 CB HIS A 69 17.754 -1.364 -14.131 1.00 0.00 C ATOM 1096 CG HIS A 69 17.223 -2.358 -15.118 1.00 0.00 C ATOM 1097 ND1 HIS A 69 15.998 -2.976 -14.977 1.00 0.00 N ATOM 1098 CD2 HIS A 69 17.756 -2.839 -16.265 1.00 0.00 C ATOM 1099 CE1 HIS A 69 15.802 -3.796 -15.995 1.00 0.00 C ATOM 1100 NE2 HIS A 69 16.854 -3.730 -16.791 1.00 0.00 N ATOM 0 H HIS A 69 17.296 -3.524 -12.975 1.00 0.00 H new ATOM 0 HA HIS A 69 19.608 -2.315 -13.606 1.00 0.00 H new ATOM 0 HB2 HIS A 69 16.917 -0.898 -13.611 1.00 0.00 H new ATOM 0 HB3 HIS A 69 18.275 -0.572 -14.669 1.00 0.00 H new ATOM 0 HD2 HIS A 69 18.713 -2.572 -16.688 1.00 0.00 H new ATOM 0 HE1 HIS A 69 14.930 -4.415 -16.150 1.00 0.00 H new ATOM 0 HE2 HIS A 69 16.976 -4.256 -17.656 1.00 0.00 H new ATOM 1109 N SER A 70 18.200 -0.676 -11.114 1.00 0.00 N ATOM 1110 CA SER A 70 18.448 0.309 -10.069 1.00 0.00 C ATOM 1111 C SER A 70 18.328 -0.324 -8.686 1.00 0.00 C ATOM 1112 O SER A 70 18.460 0.355 -7.667 1.00 0.00 O ATOM 1113 CB SER A 70 17.467 1.477 -10.194 1.00 0.00 C ATOM 1114 OG SER A 70 16.152 1.076 -9.853 1.00 0.00 O ATOM 0 H SER A 70 17.297 -1.145 -11.046 1.00 0.00 H new ATOM 0 HA SER A 70 19.464 0.683 -10.192 1.00 0.00 H new ATOM 0 HB2 SER A 70 17.782 2.292 -9.543 1.00 0.00 H new ATOM 0 HB3 SER A 70 17.481 1.860 -11.214 1.00 0.00 H new ATOM 0 HG SER A 70 15.544 1.840 -9.939 1.00 0.00 H new ATOM 1120 N ARG A 71 18.077 -1.629 -8.659 1.00 0.00 N ATOM 1121 CA ARG A 71 17.938 -2.354 -7.402 1.00 0.00 C ATOM 1122 C ARG A 71 16.756 -1.823 -6.596 1.00 0.00 C ATOM 1123 O ARG A 71 16.854 -1.632 -5.384 1.00 0.00 O ATOM 1124 CB ARG A 71 19.222 -2.242 -6.579 1.00 0.00 C ATOM 1125 CG ARG A 71 20.430 -2.880 -7.246 1.00 0.00 C ATOM 1126 CD ARG A 71 21.448 -3.352 -6.219 1.00 0.00 C ATOM 1127 NE ARG A 71 22.809 -3.332 -6.749 1.00 0.00 N ATOM 1128 CZ ARG A 71 23.535 -2.226 -6.870 1.00 0.00 C ATOM 1129 NH1 ARG A 71 23.032 -1.056 -6.500 1.00 0.00 N ATOM 1130 NH2 ARG A 71 24.766 -2.289 -7.361 1.00 0.00 N ATOM 0 H ARG A 71 17.966 -2.205 -9.493 1.00 0.00 H new ATOM 0 HA ARG A 71 17.755 -3.403 -7.635 1.00 0.00 H new ATOM 0 HB2 ARG A 71 19.434 -1.189 -6.393 1.00 0.00 H new ATOM 0 HB3 ARG A 71 19.063 -2.711 -5.608 1.00 0.00 H new ATOM 0 HG2 ARG A 71 20.107 -3.724 -7.855 1.00 0.00 H new ATOM 0 HG3 ARG A 71 20.897 -2.161 -7.920 1.00 0.00 H new ATOM 0 HD2 ARG A 71 21.394 -2.716 -5.336 1.00 0.00 H new ATOM 0 HD3 ARG A 71 21.198 -4.364 -5.899 1.00 0.00 H new ATOM 0 HE ARG A 71 23.225 -4.216 -7.042 1.00 0.00 H new ATOM 0 HH11 ARG A 71 22.086 -1.004 -6.122 1.00 0.00 H new ATOM 0 HH12 ARG A 71 23.591 -0.208 -6.594 1.00 0.00 H new ATOM 0 HH21 ARG A 71 25.156 -3.187 -7.646 1.00 0.00 H new ATOM 0 HH22 ARG A 71 25.322 -1.439 -7.453 1.00 0.00 H new ATOM 1144 N VAL A 72 15.640 -1.586 -7.277 1.00 0.00 N ATOM 1145 CA VAL A 72 14.439 -1.078 -6.625 1.00 0.00 C ATOM 1146 C VAL A 72 13.232 -1.957 -6.933 1.00 0.00 C ATOM 1147 O VAL A 72 13.049 -2.405 -8.065 1.00 0.00 O ATOM 1148 CB VAL A 72 14.132 0.367 -7.062 1.00 0.00 C ATOM 1149 CG1 VAL A 72 12.776 0.808 -6.532 1.00 0.00 C ATOM 1150 CG2 VAL A 72 15.230 1.310 -6.592 1.00 0.00 C ATOM 0 H VAL A 72 15.542 -1.738 -8.281 1.00 0.00 H new ATOM 0 HA VAL A 72 14.631 -1.093 -5.552 1.00 0.00 H new ATOM 0 HB VAL A 72 14.098 0.400 -8.151 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.576 1.831 -6.851 1.00 0.00 H new ATOM 0 HG12 VAL A 72 12.001 0.148 -6.922 1.00 0.00 H new ATOM 0 HG13 VAL A 72 12.778 0.761 -5.443 1.00 0.00 H new ATOM 0 HG21 VAL A 72 14.997 2.326 -6.909 1.00 0.00 H new ATOM 0 HG22 VAL A 72 15.298 1.276 -5.505 1.00 0.00 H new ATOM 0 HG23 VAL A 72 16.182 1.004 -7.025 1.00 0.00 H new ATOM 1160 N TYR A 73 12.411 -2.201 -5.917 1.00 0.00 N ATOM 1161 CA TYR A 73 11.221 -3.029 -6.078 1.00 0.00 C ATOM 1162 C TYR A 73 9.979 -2.165 -6.274 1.00 0.00 C ATOM 1163 O TYR A 73 9.867 -1.078 -5.705 1.00 0.00 O ATOM 1164 CB TYR A 73 11.038 -3.937 -4.861 1.00 0.00 C ATOM 1165 CG TYR A 73 12.000 -5.103 -4.826 1.00 0.00 C ATOM 1166 CD1 TYR A 73 13.249 -4.982 -4.231 1.00 0.00 C ATOM 1167 CD2 TYR A 73 11.659 -6.327 -5.388 1.00 0.00 C ATOM 1168 CE1 TYR A 73 14.131 -6.044 -4.197 1.00 0.00 C ATOM 1169 CE2 TYR A 73 12.534 -7.396 -5.358 1.00 0.00 C ATOM 1170 CZ TYR A 73 13.769 -7.250 -4.762 1.00 0.00 C ATOM 1171 OH TYR A 73 14.644 -8.311 -4.729 1.00 0.00 O ATOM 0 H TYR A 73 12.548 -1.837 -4.974 1.00 0.00 H new ATOM 0 HA TYR A 73 11.356 -3.646 -6.966 1.00 0.00 H new ATOM 0 HB2 TYR A 73 11.164 -3.345 -3.954 1.00 0.00 H new ATOM 0 HB3 TYR A 73 10.017 -4.319 -4.853 1.00 0.00 H new ATOM 0 HD1 TYR A 73 13.536 -4.040 -3.787 1.00 0.00 H new ATOM 0 HD2 TYR A 73 10.693 -6.445 -5.857 1.00 0.00 H new ATOM 0 HE1 TYR A 73 15.099 -5.931 -3.731 1.00 0.00 H new ATOM 0 HE2 TYR A 73 12.252 -8.341 -5.799 1.00 0.00 H new ATOM 0 HH TYR A 73 15.039 -8.382 -3.835 1.00 0.00 H new ATOM 1181 N THR A 74 9.046 -2.657 -7.083 1.00 0.00 N ATOM 1182 CA THR A 74 7.811 -1.932 -7.355 1.00 0.00 C ATOM 1183 C THR A 74 6.591 -2.808 -7.097 1.00 0.00 C ATOM 1184 O THR A 74 6.304 -3.732 -7.860 1.00 0.00 O ATOM 1185 CB THR A 74 7.766 -1.425 -8.809 1.00 0.00 C ATOM 1186 OG1 THR A 74 9.007 -0.794 -9.146 1.00 0.00 O ATOM 1187 CG2 THR A 74 6.622 -0.441 -9.004 1.00 0.00 C ATOM 0 H THR A 74 9.122 -3.555 -7.561 1.00 0.00 H new ATOM 0 HA THR A 74 7.791 -1.077 -6.679 1.00 0.00 H new ATOM 0 HB THR A 74 7.604 -2.281 -9.464 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.971 -0.476 -10.072 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.610 -0.097 -10.038 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.676 -0.932 -8.774 1.00 0.00 H new ATOM 0 HG23 THR A 74 6.758 0.412 -8.339 1.00 0.00 H new ATOM 1195 N PHE A 75 5.874 -2.513 -6.018 1.00 0.00 N ATOM 1196 CA PHE A 75 4.683 -3.275 -5.659 1.00 0.00 C ATOM 1197 C PHE A 75 3.421 -2.445 -5.874 1.00 0.00 C ATOM 1198 O PHE A 75 3.291 -1.345 -5.339 1.00 0.00 O ATOM 1199 CB PHE A 75 4.764 -3.732 -4.201 1.00 0.00 C ATOM 1200 CG PHE A 75 6.123 -4.236 -3.805 1.00 0.00 C ATOM 1201 CD1 PHE A 75 6.491 -5.547 -4.059 1.00 0.00 C ATOM 1202 CD2 PHE A 75 7.031 -3.398 -3.179 1.00 0.00 C ATOM 1203 CE1 PHE A 75 7.740 -6.014 -3.696 1.00 0.00 C ATOM 1204 CE2 PHE A 75 8.282 -3.859 -2.814 1.00 0.00 C ATOM 1205 CZ PHE A 75 8.637 -5.169 -3.072 1.00 0.00 C ATOM 0 H PHE A 75 6.097 -1.752 -5.377 1.00 0.00 H new ATOM 0 HA PHE A 75 4.635 -4.152 -6.305 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.491 -2.900 -3.552 1.00 0.00 H new ATOM 0 HB3 PHE A 75 4.030 -4.521 -4.034 1.00 0.00 H new ATOM 0 HD1 PHE A 75 5.794 -6.212 -4.546 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.759 -2.373 -2.974 1.00 0.00 H new ATOM 0 HE1 PHE A 75 8.014 -7.038 -3.900 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.982 -3.195 -2.327 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.613 -5.532 -2.786 1.00 0.00 H new ATOM 1215 N GLU A 76 2.494 -2.982 -6.662 1.00 0.00 N ATOM 1216 CA GLU A 76 1.243 -2.290 -6.950 1.00 0.00 C ATOM 1217 C GLU A 76 0.057 -3.039 -6.349 1.00 0.00 C ATOM 1218 O GLU A 76 0.176 -4.200 -5.958 1.00 0.00 O ATOM 1219 CB GLU A 76 1.054 -2.139 -8.461 1.00 0.00 C ATOM 1220 CG GLU A 76 2.250 -1.523 -9.166 1.00 0.00 C ATOM 1221 CD GLU A 76 2.365 -1.963 -10.613 1.00 0.00 C ATOM 1222 OE1 GLU A 76 1.453 -1.645 -11.404 1.00 0.00 O ATOM 1223 OE2 GLU A 76 3.367 -2.626 -10.953 1.00 0.00 O ATOM 0 H GLU A 76 2.586 -3.893 -7.112 1.00 0.00 H new ATOM 0 HA GLU A 76 1.292 -1.300 -6.497 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.854 -3.119 -8.893 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.175 -1.522 -8.649 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.171 -0.437 -9.126 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.161 -1.796 -8.634 1.00 0.00 H new ATOM 1230 N MET A 77 -1.087 -2.366 -6.280 1.00 0.00 N ATOM 1231 CA MET A 77 -2.295 -2.968 -5.729 1.00 0.00 C ATOM 1232 C MET A 77 -3.503 -2.671 -6.612 1.00 0.00 C ATOM 1233 O MET A 77 -4.073 -1.582 -6.553 1.00 0.00 O ATOM 1234 CB MET A 77 -2.546 -2.450 -4.311 1.00 0.00 C ATOM 1235 CG MET A 77 -3.866 -2.917 -3.719 1.00 0.00 C ATOM 1236 SD MET A 77 -3.895 -2.814 -1.919 1.00 0.00 S ATOM 1237 CE MET A 77 -4.274 -1.079 -1.685 1.00 0.00 C ATOM 0 H MET A 77 -1.203 -1.404 -6.599 1.00 0.00 H new ATOM 0 HA MET A 77 -2.150 -4.048 -5.695 1.00 0.00 H new ATOM 0 HB2 MET A 77 -1.731 -2.776 -3.664 1.00 0.00 H new ATOM 0 HB3 MET A 77 -2.527 -1.360 -4.322 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.677 -2.313 -4.127 1.00 0.00 H new ATOM 0 HG3 MET A 77 -4.052 -3.947 -4.023 1.00 0.00 H new ATOM 0 HE1 MET A 77 -4.238 -0.839 -0.622 1.00 0.00 H new ATOM 0 HE2 MET A 77 -3.543 -0.472 -2.219 1.00 0.00 H new ATOM 0 HE3 MET A 77 -5.271 -0.869 -2.071 1.00 0.00 H new ATOM 1247 N GLN A 78 -3.886 -3.646 -7.430 1.00 0.00 N ATOM 1248 CA GLN A 78 -5.025 -3.488 -8.326 1.00 0.00 C ATOM 1249 C GLN A 78 -6.332 -3.809 -7.607 1.00 0.00 C ATOM 1250 O GLN A 78 -6.439 -4.824 -6.918 1.00 0.00 O ATOM 1251 CB GLN A 78 -4.867 -4.391 -9.550 1.00 0.00 C ATOM 1252 CG GLN A 78 -5.315 -3.740 -10.848 1.00 0.00 C ATOM 1253 CD GLN A 78 -5.106 -4.636 -12.053 1.00 0.00 C ATOM 1254 OE1 GLN A 78 -6.014 -4.830 -12.861 1.00 0.00 O ATOM 1255 NE2 GLN A 78 -3.904 -5.187 -12.181 1.00 0.00 N ATOM 0 H GLN A 78 -3.424 -4.553 -7.491 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.057 -2.448 -8.652 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.821 -4.684 -9.642 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -5.441 -5.304 -9.394 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -6.370 -3.478 -10.773 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.765 -2.810 -10.992 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.180 -4.999 -11.487 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.705 -5.798 -12.973 1.00 0.00 H new ATOM 1264 N ILE A 79 -7.321 -2.938 -7.772 1.00 0.00 N ATOM 1265 CA ILE A 79 -8.620 -3.130 -7.140 1.00 0.00 C ATOM 1266 C ILE A 79 -9.740 -3.132 -8.175 1.00 0.00 C ATOM 1267 O ILE A 79 -10.135 -2.081 -8.680 1.00 0.00 O ATOM 1268 CB ILE A 79 -8.905 -2.035 -6.095 1.00 0.00 C ATOM 1269 CG1 ILE A 79 -7.831 -2.048 -5.005 1.00 0.00 C ATOM 1270 CG2 ILE A 79 -10.286 -2.228 -5.488 1.00 0.00 C ATOM 1271 CD1 ILE A 79 -8.334 -1.585 -3.655 1.00 0.00 C ATOM 0 H ILE A 79 -7.248 -2.093 -8.338 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.588 -4.098 -6.641 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.881 -1.065 -6.591 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.435 -3.059 -4.909 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.004 -1.409 -5.314 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.472 -1.446 -4.752 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.040 -2.173 -6.274 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -10.337 -3.203 -5.003 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.519 -1.620 -2.932 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.704 -0.563 -3.736 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -9.142 -2.238 -3.324 1.00 0.00 H new ATOM 1283 N ILE A 80 -10.250 -4.320 -8.484 1.00 0.00 N ATOM 1284 CA ILE A 80 -11.327 -4.459 -9.456 1.00 0.00 C ATOM 1285 C ILE A 80 -12.691 -4.359 -8.783 1.00 0.00 C ATOM 1286 O ILE A 80 -12.860 -4.766 -7.633 1.00 0.00 O ATOM 1287 CB ILE A 80 -11.235 -5.799 -10.210 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -9.773 -6.161 -10.476 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -12.014 -5.727 -11.515 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -9.153 -7.011 -9.389 1.00 0.00 C ATOM 0 H ILE A 80 -9.934 -5.200 -8.075 1.00 0.00 H new ATOM 0 HA ILE A 80 -11.216 -3.642 -10.169 1.00 0.00 H new ATOM 0 HB ILE A 80 -11.675 -6.579 -9.589 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.706 -6.693 -11.425 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.194 -5.244 -10.583 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.939 -6.681 -12.036 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -13.061 -5.510 -11.302 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -11.600 -4.938 -12.143 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.116 -7.229 -9.645 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.188 -6.473 -8.442 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -9.708 -7.945 -9.296 1.00 0.00 H new ATOM 1302 N LYS A 81 -13.664 -3.817 -9.508 1.00 0.00 N ATOM 1303 CA LYS A 81 -15.016 -3.666 -8.984 1.00 0.00 C ATOM 1304 C LYS A 81 -14.990 -3.126 -7.557 1.00 0.00 C ATOM 1305 O LYS A 81 -15.611 -3.691 -6.658 1.00 0.00 O ATOM 1306 CB LYS A 81 -15.752 -5.008 -9.019 1.00 0.00 C ATOM 1307 CG LYS A 81 -15.814 -5.631 -10.403 1.00 0.00 C ATOM 1308 CD LYS A 81 -17.032 -6.526 -10.556 1.00 0.00 C ATOM 1309 CE LYS A 81 -16.776 -7.650 -11.549 1.00 0.00 C ATOM 1310 NZ LYS A 81 -17.974 -8.518 -11.725 1.00 0.00 N ATOM 0 H LYS A 81 -13.541 -3.475 -10.461 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.545 -2.952 -9.615 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -15.258 -5.702 -8.339 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -16.767 -4.866 -8.648 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.842 -4.844 -11.157 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.909 -6.212 -10.583 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -17.298 -6.949 -9.587 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -17.882 -5.931 -10.889 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -16.490 -7.226 -12.512 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.937 -8.255 -11.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -17.721 -9.346 -12.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -18.313 -8.834 -10.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -18.725 -7.980 -12.203 1.00 0.00 H new ATOM 1324 N ALA A 82 -14.267 -2.029 -7.358 1.00 0.00 N ATOM 1325 CA ALA A 82 -14.163 -1.411 -6.042 1.00 0.00 C ATOM 1326 C ALA A 82 -15.541 -1.186 -5.431 1.00 0.00 C ATOM 1327 O ALA A 82 -16.281 -0.297 -5.852 1.00 0.00 O ATOM 1328 CB ALA A 82 -13.403 -0.097 -6.135 1.00 0.00 C ATOM 0 H ALA A 82 -13.745 -1.550 -8.091 1.00 0.00 H new ATOM 0 HA ALA A 82 -13.613 -2.090 -5.391 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.333 0.354 -5.145 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.401 -0.283 -6.521 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.930 0.581 -6.806 1.00 0.00 H new ATOM 1334 N LYS A 83 -15.882 -1.997 -4.435 1.00 0.00 N ATOM 1335 CA LYS A 83 -17.171 -1.886 -3.764 1.00 0.00 C ATOM 1336 C LYS A 83 -17.159 -0.753 -2.743 1.00 0.00 C ATOM 1337 O LYS A 83 -16.098 -0.334 -2.280 1.00 0.00 O ATOM 1338 CB LYS A 83 -17.525 -3.205 -3.073 1.00 0.00 C ATOM 1339 CG LYS A 83 -17.216 -4.433 -3.912 1.00 0.00 C ATOM 1340 CD LYS A 83 -17.343 -5.710 -3.098 1.00 0.00 C ATOM 1341 CE LYS A 83 -16.535 -6.844 -3.710 1.00 0.00 C ATOM 1342 NZ LYS A 83 -16.629 -8.091 -2.903 1.00 0.00 N ATOM 0 H LYS A 83 -15.282 -2.739 -4.075 1.00 0.00 H new ATOM 0 HA LYS A 83 -17.926 -1.663 -4.518 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -16.978 -3.271 -2.132 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -18.586 -3.202 -2.825 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -17.896 -4.474 -4.763 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.206 -4.355 -4.314 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -17.003 -5.528 -2.079 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -18.392 -6.001 -3.037 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -16.891 -7.039 -4.722 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -15.491 -6.543 -3.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.832 -8.717 -3.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -16.597 -7.853 -1.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -17.524 -8.576 -3.116 1.00 0.00 H new ATOM 1356 N ASP A 84 -18.343 -0.262 -2.397 1.00 0.00 N ATOM 1357 CA ASP A 84 -18.468 0.822 -1.429 1.00 0.00 C ATOM 1358 C ASP A 84 -17.797 0.452 -0.110 1.00 0.00 C ATOM 1359 O ASP A 84 -17.506 1.318 0.714 1.00 0.00 O ATOM 1360 CB ASP A 84 -19.942 1.154 -1.190 1.00 0.00 C ATOM 1361 CG ASP A 84 -20.512 2.062 -2.261 1.00 0.00 C ATOM 1362 OD1 ASP A 84 -19.953 3.160 -2.468 1.00 0.00 O ATOM 1363 OD2 ASP A 84 -21.516 1.675 -2.894 1.00 0.00 O ATOM 0 H ASP A 84 -19.230 -0.597 -2.772 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.968 1.700 -1.837 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -20.519 0.230 -1.157 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -20.050 1.633 -0.217 1.00 0.00 H new ATOM 1368 N ASN A 85 -17.554 -0.840 0.083 1.00 0.00 N ATOM 1369 CA ASN A 85 -16.919 -1.325 1.303 1.00 0.00 C ATOM 1370 C ASN A 85 -15.407 -1.126 1.245 1.00 0.00 C ATOM 1371 O ASN A 85 -14.735 -1.089 2.276 1.00 0.00 O ATOM 1372 CB ASN A 85 -17.242 -2.805 1.518 1.00 0.00 C ATOM 1373 CG ASN A 85 -18.729 -3.054 1.681 1.00 0.00 C ATOM 1374 OD1 ASN A 85 -19.378 -3.607 0.793 1.00 0.00 O ATOM 1375 ND2 ASN A 85 -19.276 -2.647 2.821 1.00 0.00 N ATOM 0 H ASN A 85 -17.787 -1.570 -0.590 1.00 0.00 H new ATOM 0 HA ASN A 85 -17.312 -0.749 2.141 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -16.870 -3.382 0.671 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -16.717 -3.164 2.403 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -20.272 -2.789 2.988 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -18.700 -2.193 3.530 1.00 0.00 H new ATOM 1382 N PHE A 86 -14.879 -0.998 0.033 1.00 0.00 N ATOM 1383 CA PHE A 86 -13.447 -0.803 -0.161 1.00 0.00 C ATOM 1384 C PHE A 86 -13.001 0.545 0.398 1.00 0.00 C ATOM 1385 O PHE A 86 -11.810 0.853 0.428 1.00 0.00 O ATOM 1386 CB PHE A 86 -13.094 -0.894 -1.647 1.00 0.00 C ATOM 1387 CG PHE A 86 -13.087 -2.300 -2.176 1.00 0.00 C ATOM 1388 CD1 PHE A 86 -14.191 -3.122 -2.012 1.00 0.00 C ATOM 1389 CD2 PHE A 86 -11.977 -2.799 -2.839 1.00 0.00 C ATOM 1390 CE1 PHE A 86 -14.186 -4.416 -2.498 1.00 0.00 C ATOM 1391 CE2 PHE A 86 -11.967 -4.092 -3.327 1.00 0.00 C ATOM 1392 CZ PHE A 86 -13.073 -4.901 -3.157 1.00 0.00 C ATOM 0 H PHE A 86 -15.421 -1.026 -0.830 1.00 0.00 H new ATOM 0 HA PHE A 86 -12.922 -1.592 0.378 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -13.809 -0.303 -2.219 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -12.112 -0.449 -1.807 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -15.064 -2.747 -1.499 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -11.110 -2.170 -2.976 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -15.052 -5.047 -2.363 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -11.095 -4.469 -3.841 1.00 0.00 H new ATOM 0 HZ PHE A 86 -13.068 -5.911 -3.539 1.00 0.00 H new ATOM 1402 N ALA A 87 -13.967 1.345 0.838 1.00 0.00 N ATOM 1403 CA ALA A 87 -13.675 2.659 1.396 1.00 0.00 C ATOM 1404 C ALA A 87 -13.347 2.564 2.883 1.00 0.00 C ATOM 1405 O ALA A 87 -14.105 1.986 3.660 1.00 0.00 O ATOM 1406 CB ALA A 87 -14.849 3.600 1.173 1.00 0.00 C ATOM 0 H ALA A 87 -14.958 1.106 0.819 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.800 3.058 0.882 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -14.617 4.578 1.595 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -15.036 3.701 0.104 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -15.737 3.196 1.660 1.00 0.00 H new ATOM 1412 N GLY A 88 -12.210 3.134 3.271 1.00 0.00 N ATOM 1413 CA GLY A 88 -11.801 3.101 4.663 1.00 0.00 C ATOM 1414 C GLY A 88 -10.349 3.494 4.850 1.00 0.00 C ATOM 1415 O GLY A 88 -9.816 4.303 4.093 1.00 0.00 O ATOM 0 H GLY A 88 -11.565 3.618 2.646 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.434 3.775 5.241 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -11.957 2.098 5.061 1.00 0.00 H new ATOM 1419 N ASN A 89 -9.709 2.921 5.864 1.00 0.00 N ATOM 1420 CA ASN A 89 -8.310 3.219 6.150 1.00 0.00 C ATOM 1421 C ASN A 89 -7.411 2.060 5.732 1.00 0.00 C ATOM 1422 O ASN A 89 -7.548 0.942 6.230 1.00 0.00 O ATOM 1423 CB ASN A 89 -8.124 3.511 7.641 1.00 0.00 C ATOM 1424 CG ASN A 89 -6.686 3.843 7.989 1.00 0.00 C ATOM 1425 OD1 ASN A 89 -6.097 3.239 8.886 1.00 0.00 O ATOM 1426 ND2 ASN A 89 -6.113 4.809 7.280 1.00 0.00 N ATOM 0 H ASN A 89 -10.136 2.248 6.501 1.00 0.00 H new ATOM 0 HA ASN A 89 -8.027 4.101 5.575 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.766 4.343 7.928 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -8.445 2.646 8.221 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -5.147 5.077 7.470 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -6.639 5.283 6.546 1.00 0.00 H new ATOM 1433 N TYR A 90 -6.491 2.334 4.814 1.00 0.00 N ATOM 1434 CA TYR A 90 -5.569 1.314 4.326 1.00 0.00 C ATOM 1435 C TYR A 90 -4.220 1.418 5.030 1.00 0.00 C ATOM 1436 O TYR A 90 -3.859 2.473 5.552 1.00 0.00 O ATOM 1437 CB TYR A 90 -5.380 1.448 2.814 1.00 0.00 C ATOM 1438 CG TYR A 90 -6.561 0.952 2.010 1.00 0.00 C ATOM 1439 CD1 TYR A 90 -7.830 1.485 2.201 1.00 0.00 C ATOM 1440 CD2 TYR A 90 -6.407 -0.048 1.058 1.00 0.00 C ATOM 1441 CE1 TYR A 90 -8.911 1.034 1.469 1.00 0.00 C ATOM 1442 CE2 TYR A 90 -7.482 -0.504 0.321 1.00 0.00 C ATOM 1443 CZ TYR A 90 -8.732 0.040 0.530 1.00 0.00 C ATOM 1444 OH TYR A 90 -9.806 -0.411 -0.203 1.00 0.00 O ATOM 0 H TYR A 90 -6.363 3.254 4.392 1.00 0.00 H new ATOM 0 HA TYR A 90 -5.999 0.337 4.546 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -5.199 2.495 2.570 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.490 0.893 2.517 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -7.973 2.265 2.934 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -5.430 -0.476 0.891 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -9.891 1.458 1.631 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -7.345 -1.282 -0.415 1.00 0.00 H new ATOM 0 HH TYR A 90 -10.479 0.299 -0.268 1.00 0.00 H new ATOM 1454 N ARG A 91 -3.479 0.315 5.039 1.00 0.00 N ATOM 1455 CA ARG A 91 -2.169 0.280 5.679 1.00 0.00 C ATOM 1456 C ARG A 91 -1.263 -0.747 5.007 1.00 0.00 C ATOM 1457 O ARG A 91 -1.634 -1.912 4.855 1.00 0.00 O ATOM 1458 CB ARG A 91 -2.313 -0.047 7.166 1.00 0.00 C ATOM 1459 CG ARG A 91 -1.093 0.328 7.993 1.00 0.00 C ATOM 1460 CD ARG A 91 -1.419 0.372 9.478 1.00 0.00 C ATOM 1461 NE ARG A 91 -2.501 1.307 9.773 1.00 0.00 N ATOM 1462 CZ ARG A 91 -2.980 1.515 10.995 1.00 0.00 C ATOM 1463 NH1 ARG A 91 -2.474 0.857 12.029 1.00 0.00 N ATOM 1464 NH2 ARG A 91 -3.966 2.382 11.184 1.00 0.00 N ATOM 0 H ARG A 91 -3.763 -0.566 4.611 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.714 1.265 5.573 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.184 0.475 7.562 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.503 -1.114 7.278 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -0.296 -0.394 7.816 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.720 1.301 7.672 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.699 -0.625 9.817 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.528 0.660 10.036 1.00 0.00 H new ATOM 0 HE ARG A 91 -2.912 1.829 8.999 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -1.716 0.190 11.887 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -2.843 1.018 12.966 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -4.357 2.890 10.391 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -4.333 2.541 12.122 1.00 0.00 H new ATOM 1478 N CYS A 92 -0.075 -0.308 4.606 1.00 0.00 N ATOM 1479 CA CYS A 92 0.884 -1.189 3.948 1.00 0.00 C ATOM 1480 C CYS A 92 2.103 -1.424 4.835 1.00 0.00 C ATOM 1481 O CYS A 92 2.513 -0.542 5.589 1.00 0.00 O ATOM 1482 CB CYS A 92 1.320 -0.594 2.609 1.00 0.00 C ATOM 1483 SG CYS A 92 2.516 0.754 2.754 1.00 0.00 S ATOM 0 H CYS A 92 0.247 0.652 4.725 1.00 0.00 H new ATOM 0 HA CYS A 92 0.396 -2.147 3.769 1.00 0.00 H new ATOM 0 HB2 CYS A 92 1.753 -1.385 1.996 1.00 0.00 H new ATOM 0 HB3 CYS A 92 0.439 -0.228 2.082 1.00 0.00 H new ATOM 0 HG CYS A 92 2.825 1.190 1.569 1.00 0.00 H new ATOM 1489 N GLU A 93 2.676 -2.620 4.739 1.00 0.00 N ATOM 1490 CA GLU A 93 3.846 -2.971 5.535 1.00 0.00 C ATOM 1491 C GLU A 93 4.964 -3.514 4.648 1.00 0.00 C ATOM 1492 O GLU A 93 4.792 -4.519 3.959 1.00 0.00 O ATOM 1493 CB GLU A 93 3.476 -4.006 6.598 1.00 0.00 C ATOM 1494 CG GLU A 93 2.709 -3.424 7.774 1.00 0.00 C ATOM 1495 CD GLU A 93 2.588 -4.397 8.931 1.00 0.00 C ATOM 1496 OE1 GLU A 93 3.631 -4.751 9.520 1.00 0.00 O ATOM 1497 OE2 GLU A 93 1.450 -4.804 9.247 1.00 0.00 O ATOM 0 H GLU A 93 2.349 -3.361 4.119 1.00 0.00 H new ATOM 0 HA GLU A 93 4.203 -2.067 6.028 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.876 -4.790 6.136 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.387 -4.477 6.967 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.209 -2.518 8.117 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.712 -3.132 7.444 1.00 0.00 H new ATOM 1504 N VAL A 94 6.109 -2.840 4.671 1.00 0.00 N ATOM 1505 CA VAL A 94 7.256 -3.254 3.871 1.00 0.00 C ATOM 1506 C VAL A 94 8.433 -3.643 4.758 1.00 0.00 C ATOM 1507 O VAL A 94 9.079 -2.788 5.364 1.00 0.00 O ATOM 1508 CB VAL A 94 7.700 -2.137 2.908 1.00 0.00 C ATOM 1509 CG1 VAL A 94 8.110 -0.894 3.684 1.00 0.00 C ATOM 1510 CG2 VAL A 94 8.837 -2.621 2.020 1.00 0.00 C ATOM 0 H VAL A 94 6.267 -2.005 5.235 1.00 0.00 H new ATOM 0 HA VAL A 94 6.941 -4.121 3.290 1.00 0.00 H new ATOM 0 HB VAL A 94 6.857 -1.875 2.269 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.421 -0.116 2.987 1.00 0.00 H new ATOM 0 HG12 VAL A 94 7.265 -0.537 4.273 1.00 0.00 H new ATOM 0 HG13 VAL A 94 8.939 -1.137 4.349 1.00 0.00 H new ATOM 0 HG21 VAL A 94 9.139 -1.819 1.346 1.00 0.00 H new ATOM 0 HG22 VAL A 94 9.685 -2.911 2.640 1.00 0.00 H new ATOM 0 HG23 VAL A 94 8.503 -3.479 1.437 1.00 0.00 H new ATOM 1520 N THR A 95 8.709 -4.942 4.829 1.00 0.00 N ATOM 1521 CA THR A 95 9.808 -5.446 5.642 1.00 0.00 C ATOM 1522 C THR A 95 11.052 -5.688 4.796 1.00 0.00 C ATOM 1523 O THR A 95 10.963 -5.870 3.581 1.00 0.00 O ATOM 1524 CB THR A 95 9.424 -6.757 6.356 1.00 0.00 C ATOM 1525 OG1 THR A 95 8.830 -7.666 5.423 1.00 0.00 O ATOM 1526 CG2 THR A 95 8.455 -6.488 7.497 1.00 0.00 C ATOM 0 H THR A 95 8.186 -5.664 4.333 1.00 0.00 H new ATOM 0 HA THR A 95 10.023 -4.683 6.390 1.00 0.00 H new ATOM 0 HB THR A 95 10.331 -7.200 6.768 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.590 -8.497 5.883 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.198 -7.428 7.986 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.921 -5.818 8.220 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.550 -6.025 7.104 1.00 0.00 H new ATOM 1534 N TYR A 96 12.212 -5.688 5.444 1.00 0.00 N ATOM 1535 CA TYR A 96 13.475 -5.905 4.749 1.00 0.00 C ATOM 1536 C TYR A 96 14.549 -6.401 5.713 1.00 0.00 C ATOM 1537 O TYR A 96 14.308 -6.537 6.913 1.00 0.00 O ATOM 1538 CB TYR A 96 13.939 -4.613 4.073 1.00 0.00 C ATOM 1539 CG TYR A 96 14.977 -4.832 2.996 1.00 0.00 C ATOM 1540 CD1 TYR A 96 14.830 -5.848 2.059 1.00 0.00 C ATOM 1541 CD2 TYR A 96 16.103 -4.023 2.914 1.00 0.00 C ATOM 1542 CE1 TYR A 96 15.776 -6.052 1.073 1.00 0.00 C ATOM 1543 CE2 TYR A 96 17.054 -4.219 1.931 1.00 0.00 C ATOM 1544 CZ TYR A 96 16.886 -5.235 1.013 1.00 0.00 C ATOM 1545 OH TYR A 96 17.830 -5.434 0.032 1.00 0.00 O ATOM 0 H TYR A 96 12.303 -5.540 6.449 1.00 0.00 H new ATOM 0 HA TYR A 96 13.314 -6.668 3.988 1.00 0.00 H new ATOM 0 HB2 TYR A 96 13.076 -4.111 3.637 1.00 0.00 H new ATOM 0 HB3 TYR A 96 14.348 -3.944 4.830 1.00 0.00 H new ATOM 0 HD1 TYR A 96 13.962 -6.489 2.102 1.00 0.00 H new ATOM 0 HD2 TYR A 96 16.238 -3.227 3.631 1.00 0.00 H new ATOM 0 HE1 TYR A 96 15.647 -6.847 0.353 1.00 0.00 H new ATOM 0 HE2 TYR A 96 17.924 -3.581 1.882 1.00 0.00 H new ATOM 0 HH TYR A 96 17.399 -5.805 -0.766 1.00 0.00 H new ATOM 1611 N PHE A 100 12.498 -1.724 8.006 1.00 0.00 N ATOM 1612 CA PHE A 100 11.069 -1.920 7.787 1.00 0.00 C ATOM 1613 C PHE A 100 10.316 -0.597 7.895 1.00 0.00 C ATOM 1614 O PHE A 100 10.606 0.226 8.764 1.00 0.00 O ATOM 1615 CB PHE A 100 10.510 -2.923 8.798 1.00 0.00 C ATOM 1616 CG PHE A 100 9.049 -2.730 9.088 1.00 0.00 C ATOM 1617 CD1 PHE A 100 8.087 -3.179 8.197 1.00 0.00 C ATOM 1618 CD2 PHE A 100 8.637 -2.100 10.251 1.00 0.00 C ATOM 1619 CE1 PHE A 100 6.742 -3.004 8.460 1.00 0.00 C ATOM 1620 CE2 PHE A 100 7.293 -1.923 10.520 1.00 0.00 C ATOM 1621 CZ PHE A 100 6.344 -2.374 9.623 1.00 0.00 C ATOM 0 HA PHE A 100 10.931 -2.315 6.780 1.00 0.00 H new ATOM 0 HB2 PHE A 100 10.667 -3.933 8.420 1.00 0.00 H new ATOM 0 HB3 PHE A 100 11.071 -2.840 9.729 1.00 0.00 H new ATOM 0 HD1 PHE A 100 8.393 -3.672 7.286 1.00 0.00 H new ATOM 0 HD2 PHE A 100 9.374 -1.743 10.955 1.00 0.00 H new ATOM 0 HE1 PHE A 100 6.003 -3.359 7.757 1.00 0.00 H new ATOM 0 HE2 PHE A 100 6.985 -1.432 11.431 1.00 0.00 H new ATOM 0 HZ PHE A 100 5.293 -2.234 9.831 1.00 0.00 H new ATOM 1631 N ASP A 101 9.348 -0.400 7.007 1.00 0.00 N ATOM 1632 CA ASP A 101 8.551 0.821 7.002 1.00 0.00 C ATOM 1633 C ASP A 101 7.061 0.499 6.962 1.00 0.00 C ATOM 1634 O ASP A 101 6.662 -0.583 6.532 1.00 0.00 O ATOM 1635 CB ASP A 101 8.929 1.696 5.806 1.00 0.00 C ATOM 1636 CG ASP A 101 10.355 2.204 5.887 1.00 0.00 C ATOM 1637 OD1 ASP A 101 10.621 3.095 6.720 1.00 0.00 O ATOM 1638 OD2 ASP A 101 11.205 1.711 5.116 1.00 0.00 O ATOM 0 H ASP A 101 9.096 -1.071 6.281 1.00 0.00 H new ATOM 0 HA ASP A 101 8.761 1.366 7.922 1.00 0.00 H new ATOM 0 HB2 ASP A 101 8.802 1.124 4.887 1.00 0.00 H new ATOM 0 HB3 ASP A 101 8.247 2.544 5.750 1.00 0.00 H new ATOM 1643 N SER A 102 6.244 1.444 7.415 1.00 0.00 N ATOM 1644 CA SER A 102 4.797 1.258 7.435 1.00 0.00 C ATOM 1645 C SER A 102 4.077 2.565 7.118 1.00 0.00 C ATOM 1646 O SER A 102 4.274 3.575 7.796 1.00 0.00 O ATOM 1647 CB SER A 102 4.349 0.734 8.800 1.00 0.00 C ATOM 1648 OG SER A 102 4.788 1.586 9.844 1.00 0.00 O ATOM 0 H SER A 102 6.559 2.346 7.773 1.00 0.00 H new ATOM 0 HA SER A 102 4.538 0.526 6.670 1.00 0.00 H new ATOM 0 HB2 SER A 102 3.262 0.655 8.824 1.00 0.00 H new ATOM 0 HB3 SER A 102 4.745 -0.270 8.955 1.00 0.00 H new ATOM 0 HG SER A 102 4.895 2.497 9.500 1.00 0.00 H new ATOM 1654 N CYS A 103 3.244 2.538 6.084 1.00 0.00 N ATOM 1655 CA CYS A 103 2.494 3.721 5.675 1.00 0.00 C ATOM 1656 C CYS A 103 0.996 3.434 5.653 1.00 0.00 C ATOM 1657 O CYS A 103 0.576 2.277 5.636 1.00 0.00 O ATOM 1658 CB CYS A 103 2.956 4.192 4.296 1.00 0.00 C ATOM 1659 SG CYS A 103 4.726 4.546 4.192 1.00 0.00 S ATOM 0 H CYS A 103 3.071 1.711 5.513 1.00 0.00 H new ATOM 0 HA CYS A 103 2.684 4.511 6.402 1.00 0.00 H new ATOM 0 HB2 CYS A 103 2.705 3.428 3.560 1.00 0.00 H new ATOM 0 HB3 CYS A 103 2.400 5.090 4.025 1.00 0.00 H new ATOM 0 HG CYS A 103 5.145 4.313 2.984 1.00 0.00 H new ATOM 1665 N SER A 104 0.196 4.495 5.654 1.00 0.00 N ATOM 1666 CA SER A 104 -1.256 4.358 5.639 1.00 0.00 C ATOM 1667 C SER A 104 -1.891 5.397 4.720 1.00 0.00 C ATOM 1668 O SER A 104 -1.473 6.555 4.692 1.00 0.00 O ATOM 1669 CB SER A 104 -1.817 4.501 7.055 1.00 0.00 C ATOM 1670 OG SER A 104 -1.548 5.789 7.583 1.00 0.00 O ATOM 0 H SER A 104 0.528 5.459 5.665 1.00 0.00 H new ATOM 0 HA SER A 104 -1.499 3.366 5.258 1.00 0.00 H new ATOM 0 HB2 SER A 104 -2.893 4.327 7.042 1.00 0.00 H new ATOM 0 HB3 SER A 104 -1.379 3.741 7.702 1.00 0.00 H new ATOM 0 HG SER A 104 -1.918 5.855 8.488 1.00 0.00 H new ATOM 1676 N PHE A 105 -2.903 4.975 3.970 1.00 0.00 N ATOM 1677 CA PHE A 105 -3.596 5.868 3.049 1.00 0.00 C ATOM 1678 C PHE A 105 -5.109 5.729 3.192 1.00 0.00 C ATOM 1679 O PHE A 105 -5.604 4.746 3.743 1.00 0.00 O ATOM 1680 CB PHE A 105 -3.180 5.571 1.607 1.00 0.00 C ATOM 1681 CG PHE A 105 -2.801 4.136 1.376 1.00 0.00 C ATOM 1682 CD1 PHE A 105 -1.685 3.592 1.990 1.00 0.00 C ATOM 1683 CD2 PHE A 105 -3.562 3.330 0.544 1.00 0.00 C ATOM 1684 CE1 PHE A 105 -1.334 2.272 1.780 1.00 0.00 C ATOM 1685 CE2 PHE A 105 -3.217 2.009 0.330 1.00 0.00 C ATOM 1686 CZ PHE A 105 -2.101 1.480 0.948 1.00 0.00 C ATOM 0 H PHE A 105 -3.262 4.020 3.982 1.00 0.00 H new ATOM 0 HA PHE A 105 -3.317 6.892 3.297 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -4.000 5.834 0.939 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.336 6.208 1.342 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -1.082 4.207 2.641 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.435 3.739 0.057 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.462 1.860 2.266 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -3.819 1.391 -0.320 1.00 0.00 H new ATOM 0 HZ PHE A 105 -1.828 0.448 0.781 1.00 0.00 H new ATOM 1696 N ASP A 106 -5.838 6.721 2.691 1.00 0.00 N ATOM 1697 CA ASP A 106 -7.294 6.710 2.762 1.00 0.00 C ATOM 1698 C ASP A 106 -7.905 6.543 1.374 1.00 0.00 C ATOM 1699 O ASP A 106 -7.615 7.317 0.460 1.00 0.00 O ATOM 1700 CB ASP A 106 -7.804 8.001 3.405 1.00 0.00 C ATOM 1701 CG ASP A 106 -7.963 9.125 2.400 1.00 0.00 C ATOM 1702 OD1 ASP A 106 -7.019 9.357 1.617 1.00 0.00 O ATOM 1703 OD2 ASP A 106 -9.031 9.772 2.398 1.00 0.00 O ATOM 0 H ASP A 106 -5.444 7.542 2.232 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.597 5.862 3.377 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -8.763 7.809 3.886 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -7.111 8.312 4.187 1.00 0.00 H new ATOM 1708 N LEU A 107 -8.749 5.529 1.223 1.00 0.00 N ATOM 1709 CA LEU A 107 -9.400 5.260 -0.055 1.00 0.00 C ATOM 1710 C LEU A 107 -10.893 5.565 0.020 1.00 0.00 C ATOM 1711 O LEU A 107 -11.585 5.105 0.927 1.00 0.00 O ATOM 1712 CB LEU A 107 -9.186 3.801 -0.461 1.00 0.00 C ATOM 1713 CG LEU A 107 -9.787 3.382 -1.803 1.00 0.00 C ATOM 1714 CD1 LEU A 107 -11.302 3.289 -1.704 1.00 0.00 C ATOM 1715 CD2 LEU A 107 -9.382 4.360 -2.897 1.00 0.00 C ATOM 0 H LEU A 107 -8.999 4.880 1.969 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.952 5.910 -0.807 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.114 3.606 -0.489 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.605 3.163 0.317 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.399 2.397 -2.061 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -11.712 2.990 -2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -11.573 2.550 -0.950 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -11.709 4.260 -1.423 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -9.819 4.046 -3.845 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.741 5.358 -2.644 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -8.296 4.377 -2.986 1.00 0.00 H new ATOM 1727 N GLU A 108 -11.382 6.341 -0.942 1.00 0.00 N ATOM 1728 CA GLU A 108 -12.793 6.706 -0.986 1.00 0.00 C ATOM 1729 C GLU A 108 -13.501 6.004 -2.140 1.00 0.00 C ATOM 1730 O GLU A 108 -12.890 5.695 -3.163 1.00 0.00 O ATOM 1731 CB GLU A 108 -12.947 8.222 -1.125 1.00 0.00 C ATOM 1732 CG GLU A 108 -12.873 8.966 0.198 1.00 0.00 C ATOM 1733 CD GLU A 108 -13.056 10.462 0.037 1.00 0.00 C ATOM 1734 OE1 GLU A 108 -14.161 10.884 -0.365 1.00 0.00 O ATOM 1735 OE2 GLU A 108 -12.096 11.211 0.312 1.00 0.00 O ATOM 0 H GLU A 108 -10.822 6.729 -1.701 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.254 6.386 -0.051 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.168 8.598 -1.788 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.903 8.439 -1.601 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.639 8.580 0.871 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.909 8.770 0.667 1.00 0.00 H new ATOM 1742 N VAL A 109 -14.795 5.753 -1.968 1.00 0.00 N ATOM 1743 CA VAL A 109 -15.588 5.088 -2.995 1.00 0.00 C ATOM 1744 C VAL A 109 -16.872 5.857 -3.283 1.00 0.00 C ATOM 1745 O VAL A 109 -17.719 6.025 -2.404 1.00 0.00 O ATOM 1746 CB VAL A 109 -15.947 3.648 -2.582 1.00 0.00 C ATOM 1747 CG1 VAL A 109 -16.666 2.931 -3.714 1.00 0.00 C ATOM 1748 CG2 VAL A 109 -14.698 2.886 -2.165 1.00 0.00 C ATOM 0 H VAL A 109 -15.316 6.000 -1.127 1.00 0.00 H new ATOM 0 HA VAL A 109 -14.976 5.058 -3.897 1.00 0.00 H new ATOM 0 HB VAL A 109 -16.621 3.692 -1.726 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -16.911 1.915 -3.404 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -17.583 3.467 -3.960 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -16.020 2.896 -4.591 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -14.970 1.871 -1.876 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -13.998 2.850 -3.000 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -14.230 3.390 -1.320 1.00 0.00 H new ATOM 1758 N HIS A 110 -17.011 6.324 -4.520 1.00 0.00 N ATOM 1759 CA HIS A 110 -18.194 7.076 -4.924 1.00 0.00 C ATOM 1760 C HIS A 110 -19.134 6.205 -5.752 1.00 0.00 C ATOM 1761 O HIS A 110 -18.690 5.359 -6.527 1.00 0.00 O ATOM 1762 CB HIS A 110 -17.788 8.313 -5.726 1.00 0.00 C ATOM 1763 CG HIS A 110 -17.066 9.343 -4.912 1.00 0.00 C ATOM 1764 ND1 HIS A 110 -16.978 10.669 -5.282 1.00 0.00 N ATOM 1765 CD2 HIS A 110 -16.397 9.236 -3.740 1.00 0.00 C ATOM 1766 CE1 HIS A 110 -16.285 11.332 -4.374 1.00 0.00 C ATOM 1767 NE2 HIS A 110 -15.921 10.486 -3.428 1.00 0.00 N ATOM 0 H HIS A 110 -16.320 6.195 -5.259 1.00 0.00 H new ATOM 0 HA HIS A 110 -18.719 7.392 -4.023 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -17.151 8.005 -6.556 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -18.681 8.764 -6.159 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -16.263 8.336 -3.159 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -16.055 12.387 -4.401 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -15.375 10.722 -2.600 1.00 0.00 H new ATOM 1776 N GLU A 111 -20.435 6.420 -5.582 1.00 0.00 N ATOM 1777 CA GLU A 111 -21.437 5.653 -6.313 1.00 0.00 C ATOM 1778 C GLU A 111 -21.333 5.913 -7.813 1.00 0.00 C ATOM 1779 O GLU A 111 -21.290 7.061 -8.254 1.00 0.00 O ATOM 1780 CB GLU A 111 -22.842 6.006 -5.819 1.00 0.00 C ATOM 1781 CG GLU A 111 -23.068 5.690 -4.350 1.00 0.00 C ATOM 1782 CD GLU A 111 -24.527 5.434 -4.026 1.00 0.00 C ATOM 1783 OE1 GLU A 111 -25.362 6.314 -4.320 1.00 0.00 O ATOM 1784 OE2 GLU A 111 -24.833 4.354 -3.479 1.00 0.00 O ATOM 0 H GLU A 111 -20.819 7.118 -4.945 1.00 0.00 H new ATOM 0 HA GLU A 111 -21.251 4.594 -6.131 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -23.020 7.068 -5.985 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -23.575 5.463 -6.416 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -22.480 4.814 -4.076 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -22.705 6.520 -3.744 1.00 0.00 H new ATOM 1791 N SER A 112 -21.293 4.837 -8.593 1.00 0.00 N ATOM 1792 CA SER A 112 -21.190 4.947 -10.043 1.00 0.00 C ATOM 1793 C SER A 112 -22.559 5.202 -10.667 1.00 0.00 C ATOM 1794 O SER A 112 -22.749 5.024 -11.871 1.00 0.00 O ATOM 1795 CB SER A 112 -20.578 3.673 -10.630 1.00 0.00 C ATOM 1796 OG SER A 112 -20.247 3.850 -11.996 1.00 0.00 O ATOM 0 H SER A 112 -21.330 3.879 -8.245 1.00 0.00 H new ATOM 0 HA SER A 112 -20.542 5.792 -10.274 1.00 0.00 H new ATOM 0 HB2 SER A 112 -19.684 3.403 -10.068 1.00 0.00 H new ATOM 0 HB3 SER A 112 -21.281 2.847 -10.527 1.00 0.00 H new ATOM 0 HG SER A 112 -20.980 4.314 -12.453 1.00 0.00 H new