USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 738 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 79 LYS NZ :NH3+ 143:sc= 1.03 (180deg=0) USER MOD Set 1.2: A 80 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 81 HIS : no HE2:sc= 1.58 K(o=2.6,f=-6.1!) USER MOD Set 2.1: A 57 THR OG1 : rot -157:sc= 0.228 USER MOD Set 2.2: A 94 THR OG1 : rot 180:sc= 0.218 USER MOD Set 3.1: A 27 ASN : amide:sc= 0.739 K(o=1.2,f=-6.9!) USER MOD Set 3.2: A 29 THR OG1 : rot -5:sc= 0.508 USER MOD Single : A 15 MET CE :methyl 146:sc= -0.818 (180deg=-1.18) USER MOD Single : A 20 ASN : amide:sc= -0.95 K(o=-0.95,f=-3.9!) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0.113 USER MOD Single : A 34 HIS : no HD1:sc= -0.94 K(o=-0.94,f=-0.14) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -9:sc= 0.35 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= -0.0604 X(o=-0.06,f=-0.016) USER MOD Single : A 50 TYR OH : rot 165:sc= 0 USER MOD Single : A 53 TYR OH : rot 31:sc= 0.00184 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 78 SER OG : rot 180:sc= 0.00484 USER MOD Single : A 83 MET CE :methyl -127:sc= -4.55! (180deg=-6.78!) USER MOD Single : A 91 SER OG : rot 54:sc= 1.24 USER MOD Single : A 92 HIS : no HD1:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 93 TYR OH : rot 180:sc= 0.0173 USER MOD Single : A 96 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 101 ASN : amide:sc= -1.72 K(o=-1.7,f=-5!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 73:sc= 1.61 USER MOD Single : A 115 ASN : amide:sc= -0.0211 X(o=-0.021,f=0.00092) USER MOD Single : A 116 THR OG1 : rot -169:sc= 1.71 USER MOD ----------------------------------------------------------------- ATOM 128 N LEU A 13 4.819 -16.341 9.341 1.00 0.00 N ATOM 129 CA LEU A 13 4.611 -15.679 8.054 1.00 0.00 C ATOM 130 C LEU A 13 3.183 -15.923 7.546 1.00 0.00 C ATOM 131 O LEU A 13 2.641 -17.003 7.794 1.00 0.00 O ATOM 132 CB LEU A 13 5.603 -16.221 7.014 1.00 0.00 C ATOM 133 CG LEU A 13 7.057 -15.766 7.229 1.00 0.00 C ATOM 134 CD1 LEU A 13 7.952 -16.530 6.257 1.00 0.00 C ATOM 135 CD2 LEU A 13 7.204 -14.258 6.991 1.00 0.00 C ATOM 0 HA LEU A 13 4.769 -14.610 8.196 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.569 -17.310 7.030 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.279 -15.907 6.022 1.00 0.00 H new ATOM 0 HG LEU A 13 7.347 -15.973 8.259 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.988 -16.220 6.395 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.865 -17.600 6.447 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.643 -16.317 5.234 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.242 -13.964 7.150 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.912 -14.021 5.968 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.563 -13.716 7.686 1.00 0.00 H new ATOM 147 N PRO A 14 2.588 -14.992 6.776 1.00 0.00 N ATOM 148 CA PRO A 14 1.246 -15.160 6.230 1.00 0.00 C ATOM 149 C PRO A 14 1.128 -16.269 5.177 1.00 0.00 C ATOM 150 O PRO A 14 2.115 -16.785 4.649 1.00 0.00 O ATOM 151 CB PRO A 14 0.857 -13.821 5.602 1.00 0.00 C ATOM 152 CG PRO A 14 1.930 -12.835 6.046 1.00 0.00 C ATOM 153 CD PRO A 14 3.138 -13.706 6.377 1.00 0.00 C ATOM 0 HA PRO A 14 0.584 -15.461 7.042 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.817 -13.894 4.515 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.130 -13.503 5.936 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.161 -12.119 5.257 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.606 -12.260 6.913 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.796 -13.810 5.514 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.732 -13.267 7.179 1.00 0.00 H new ATOM 161 N MET A 15 -0.116 -16.568 4.812 1.00 0.00 N ATOM 162 CA MET A 15 -0.529 -17.580 3.850 1.00 0.00 C ATOM 163 C MET A 15 -1.351 -16.961 2.722 1.00 0.00 C ATOM 164 O MET A 15 -1.163 -17.337 1.567 1.00 0.00 O ATOM 165 CB MET A 15 -1.346 -18.668 4.565 1.00 0.00 C ATOM 166 CG MET A 15 -0.504 -19.380 5.638 1.00 0.00 C ATOM 167 SD MET A 15 -0.919 -21.102 6.032 1.00 0.00 S ATOM 168 CE MET A 15 -2.697 -21.014 6.326 1.00 0.00 C ATOM 0 H MET A 15 -0.915 -16.074 5.209 1.00 0.00 H new ATOM 0 HA MET A 15 0.363 -18.026 3.411 1.00 0.00 H new ATOM 0 HB2 MET A 15 -2.226 -18.221 5.027 1.00 0.00 H new ATOM 0 HB3 MET A 15 -1.703 -19.396 3.837 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.538 -19.351 5.320 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.573 -18.800 6.558 1.00 0.00 H new ATOM 0 HE1 MET A 15 -3.168 -21.937 5.988 1.00 0.00 H new ATOM 0 HE2 MET A 15 -2.883 -20.881 7.392 1.00 0.00 H new ATOM 0 HE3 MET A 15 -3.115 -20.171 5.777 1.00 0.00 H new ATOM 178 N VAL A 16 -2.244 -16.006 3.014 1.00 0.00 N ATOM 179 CA VAL A 16 -3.139 -15.444 2.003 1.00 0.00 C ATOM 180 C VAL A 16 -3.236 -13.922 2.115 1.00 0.00 C ATOM 181 O VAL A 16 -3.070 -13.345 3.197 1.00 0.00 O ATOM 182 CB VAL A 16 -4.522 -16.139 1.994 1.00 0.00 C ATOM 183 CG1 VAL A 16 -4.420 -17.649 1.758 1.00 0.00 C ATOM 184 CG2 VAL A 16 -5.411 -15.915 3.217 1.00 0.00 C ATOM 0 H VAL A 16 -2.363 -15.608 3.946 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.696 -15.652 1.029 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.008 -15.638 1.157 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.419 -18.086 1.761 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.945 -17.835 0.795 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.823 -18.102 2.550 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.350 -16.454 3.088 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.902 -16.281 4.109 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.616 -14.850 3.328 1.00 0.00 H new ATOM 194 N ALA A 17 -3.477 -13.301 0.965 1.00 0.00 N ATOM 195 CA ALA A 17 -3.744 -11.897 0.740 1.00 0.00 C ATOM 196 C ALA A 17 -5.230 -11.590 0.995 1.00 0.00 C ATOM 197 O ALA A 17 -6.030 -12.518 1.114 1.00 0.00 O ATOM 198 CB ALA A 17 -3.396 -11.621 -0.725 1.00 0.00 C ATOM 0 H ALA A 17 -3.490 -13.823 0.089 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.158 -11.272 1.413 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.580 -10.571 -0.951 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.345 -11.851 -0.899 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.015 -12.244 -1.370 1.00 0.00 H new ATOM 204 N PRO A 18 -5.622 -10.303 1.065 1.00 0.00 N ATOM 205 CA PRO A 18 -7.027 -9.936 1.168 1.00 0.00 C ATOM 206 C PRO A 18 -7.868 -10.320 -0.064 1.00 0.00 C ATOM 207 O PRO A 18 -7.349 -10.599 -1.147 1.00 0.00 O ATOM 208 CB PRO A 18 -7.058 -8.431 1.436 1.00 0.00 C ATOM 209 CG PRO A 18 -5.613 -7.944 1.494 1.00 0.00 C ATOM 210 CD PRO A 18 -4.752 -9.136 1.095 1.00 0.00 C ATOM 0 HA PRO A 18 -7.492 -10.498 1.978 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.606 -7.913 0.649 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.572 -8.219 2.374 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.456 -7.105 0.816 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.358 -7.596 2.495 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.295 -8.971 0.119 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.940 -9.280 1.807 1.00 0.00 H new ATOM 218 N GLY A 19 -9.194 -10.251 0.118 1.00 0.00 N ATOM 219 CA GLY A 19 -10.224 -10.430 -0.902 1.00 0.00 C ATOM 220 C GLY A 19 -10.212 -9.319 -1.960 1.00 0.00 C ATOM 221 O GLY A 19 -9.236 -8.588 -2.113 1.00 0.00 O ATOM 0 H GLY A 19 -9.594 -10.057 1.036 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -10.081 -11.393 -1.392 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.203 -10.459 -0.423 1.00 0.00 H new ATOM 225 N ASN A 20 -11.304 -9.191 -2.720 1.00 0.00 N ATOM 226 CA ASN A 20 -11.485 -8.169 -3.747 1.00 0.00 C ATOM 227 C ASN A 20 -11.348 -6.795 -3.114 1.00 0.00 C ATOM 228 O ASN A 20 -12.250 -6.305 -2.430 1.00 0.00 O ATOM 229 CB ASN A 20 -12.832 -8.267 -4.481 1.00 0.00 C ATOM 230 CG ASN A 20 -13.094 -6.993 -5.290 1.00 0.00 C ATOM 231 OD1 ASN A 20 -12.589 -6.823 -6.396 1.00 0.00 O ATOM 232 ND2 ASN A 20 -13.830 -6.052 -4.717 1.00 0.00 N ATOM 0 H ASN A 20 -12.107 -9.814 -2.633 1.00 0.00 H new ATOM 0 HA ASN A 20 -10.712 -8.333 -4.497 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -12.830 -9.132 -5.144 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -13.636 -8.419 -3.761 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -13.987 -5.165 -5.196 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -14.240 -6.215 -3.797 1.00 0.00 H new ATOM 239 N VAL A 21 -10.222 -6.167 -3.398 1.00 0.00 N ATOM 240 CA VAL A 21 -9.924 -4.813 -3.008 1.00 0.00 C ATOM 241 C VAL A 21 -10.838 -3.875 -3.800 1.00 0.00 C ATOM 242 O VAL A 21 -11.122 -4.099 -4.986 1.00 0.00 O ATOM 243 CB VAL A 21 -8.417 -4.599 -3.228 1.00 0.00 C ATOM 244 CG1 VAL A 21 -7.982 -3.150 -2.981 1.00 0.00 C ATOM 245 CG2 VAL A 21 -7.643 -5.578 -2.325 1.00 0.00 C ATOM 0 H VAL A 21 -9.467 -6.606 -3.925 1.00 0.00 H new ATOM 0 HA VAL A 21 -10.122 -4.601 -1.957 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.189 -4.800 -4.275 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.909 -3.058 -3.151 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.516 -2.489 -3.664 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.211 -2.872 -1.952 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.572 -5.438 -2.470 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.896 -5.388 -1.282 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.913 -6.602 -2.583 1.00 0.00 H new ATOM 255 N ARG A 22 -11.306 -2.824 -3.135 1.00 0.00 N ATOM 256 CA ARG A 22 -12.120 -1.744 -3.681 1.00 0.00 C ATOM 257 C ARG A 22 -11.363 -0.467 -3.367 1.00 0.00 C ATOM 258 O ARG A 22 -10.611 -0.435 -2.401 1.00 0.00 O ATOM 259 CB ARG A 22 -13.534 -1.752 -3.049 1.00 0.00 C ATOM 260 CG ARG A 22 -14.071 -3.181 -2.874 1.00 0.00 C ATOM 261 CD ARG A 22 -15.554 -3.295 -2.541 1.00 0.00 C ATOM 262 NE ARG A 22 -16.028 -4.684 -2.725 1.00 0.00 N ATOM 263 CZ ARG A 22 -17.048 -5.285 -2.097 1.00 0.00 C ATOM 264 NH1 ARG A 22 -17.846 -4.614 -1.275 1.00 0.00 N ATOM 265 NH2 ARG A 22 -17.292 -6.571 -2.319 1.00 0.00 N ATOM 0 H ARG A 22 -11.116 -2.696 -2.141 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.276 -1.848 -4.755 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -13.502 -1.254 -2.080 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.217 -1.181 -3.678 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.880 -3.736 -3.793 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.502 -3.669 -2.083 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -15.725 -2.981 -1.511 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -16.127 -2.623 -3.179 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.521 -5.248 -3.407 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -17.689 -3.620 -1.110 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -18.616 -5.093 -0.808 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.704 -7.097 -2.965 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -18.067 -7.033 -1.843 1.00 0.00 H new ATOM 279 N VAL A 23 -11.503 0.584 -4.151 1.00 0.00 N ATOM 280 CA VAL A 23 -10.966 1.882 -3.807 1.00 0.00 C ATOM 281 C VAL A 23 -11.952 2.903 -4.365 1.00 0.00 C ATOM 282 O VAL A 23 -12.464 2.747 -5.473 1.00 0.00 O ATOM 283 CB VAL A 23 -9.476 1.988 -4.221 1.00 0.00 C ATOM 284 CG1 VAL A 23 -9.122 1.116 -5.423 1.00 0.00 C ATOM 285 CG2 VAL A 23 -8.958 3.422 -4.338 1.00 0.00 C ATOM 0 H VAL A 23 -11.993 0.560 -5.045 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.896 2.078 -2.737 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.925 1.568 -3.380 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.065 1.236 -5.661 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.324 0.071 -5.187 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -9.724 1.417 -6.281 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.908 3.407 -4.631 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.537 3.958 -5.090 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.059 3.925 -3.376 1.00 0.00 H new ATOM 295 N ASN A 24 -12.318 3.882 -3.548 1.00 0.00 N ATOM 296 CA ASN A 24 -13.178 5.000 -3.915 1.00 0.00 C ATOM 297 C ASN A 24 -12.480 6.302 -3.630 1.00 0.00 C ATOM 298 O ASN A 24 -12.019 6.523 -2.515 1.00 0.00 O ATOM 299 CB ASN A 24 -14.488 4.993 -3.139 1.00 0.00 C ATOM 300 CG ASN A 24 -15.214 6.329 -3.283 1.00 0.00 C ATOM 301 OD1 ASN A 24 -15.709 6.655 -4.363 1.00 0.00 O ATOM 302 ND2 ASN A 24 -15.222 7.128 -2.228 1.00 0.00 N ATOM 0 H ASN A 24 -12.013 3.921 -2.575 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.394 4.895 -4.978 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -15.126 4.187 -3.502 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -14.290 4.794 -2.086 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -15.649 8.052 -2.291 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -14.801 6.820 -1.352 1.00 0.00 H new ATOM 309 N VAL A 25 -12.436 7.186 -4.607 1.00 0.00 N ATOM 310 CA VAL A 25 -11.733 8.419 -4.495 1.00 0.00 C ATOM 311 C VAL A 25 -12.632 9.491 -3.908 1.00 0.00 C ATOM 312 O VAL A 25 -13.683 9.834 -4.452 1.00 0.00 O ATOM 313 CB VAL A 25 -10.973 8.720 -5.771 1.00 0.00 C ATOM 314 CG1 VAL A 25 -10.648 7.469 -6.583 1.00 0.00 C ATOM 315 CG2 VAL A 25 -11.509 9.859 -6.603 1.00 0.00 C ATOM 0 H VAL A 25 -12.898 7.053 -5.507 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.929 8.365 -3.761 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.020 9.110 -5.414 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.104 7.751 -7.484 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.034 6.796 -5.984 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -11.574 6.965 -6.861 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.889 9.985 -7.490 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.533 9.639 -6.904 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.493 10.777 -6.016 1.00 0.00 H new ATOM 325 N VAL A 26 -12.225 9.939 -2.731 1.00 0.00 N ATOM 326 CA VAL A 26 -13.014 10.787 -1.866 1.00 0.00 C ATOM 327 C VAL A 26 -12.944 12.222 -2.365 1.00 0.00 C ATOM 328 O VAL A 26 -13.906 12.976 -2.203 1.00 0.00 O ATOM 329 CB VAL A 26 -12.451 10.678 -0.431 1.00 0.00 C ATOM 330 CG1 VAL A 26 -13.215 11.592 0.534 1.00 0.00 C ATOM 331 CG2 VAL A 26 -12.410 9.205 0.054 1.00 0.00 C ATOM 0 H VAL A 26 -11.309 9.713 -2.344 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.058 10.474 -1.868 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.419 11.027 -0.448 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.797 11.494 1.536 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -13.126 12.627 0.203 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -14.267 11.306 0.550 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -12.009 9.166 1.067 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -13.419 8.792 0.047 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.774 8.621 -0.611 1.00 0.00 H new ATOM 341 N ASN A 27 -11.787 12.617 -2.897 1.00 0.00 N ATOM 342 CA ASN A 27 -11.555 13.949 -3.430 1.00 0.00 C ATOM 343 C ASN A 27 -10.418 13.898 -4.444 1.00 0.00 C ATOM 344 O ASN A 27 -9.969 12.824 -4.834 1.00 0.00 O ATOM 345 CB ASN A 27 -11.348 14.966 -2.292 1.00 0.00 C ATOM 346 CG ASN A 27 -10.038 14.822 -1.529 1.00 0.00 C ATOM 347 OD1 ASN A 27 -8.942 14.899 -2.078 1.00 0.00 O ATOM 348 ND2 ASN A 27 -10.164 14.590 -0.236 1.00 0.00 N ATOM 0 H ASN A 27 -10.974 12.005 -2.968 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.435 14.303 -3.968 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -11.399 15.971 -2.710 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -12.174 14.872 -1.587 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -9.334 14.468 0.344 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.092 14.533 0.184 1.00 0.00 H new ATOM 355 N SER A 28 -9.984 15.054 -4.927 1.00 0.00 N ATOM 356 CA SER A 28 -9.033 15.154 -6.027 1.00 0.00 C ATOM 357 C SER A 28 -7.630 14.652 -5.675 1.00 0.00 C ATOM 358 O SER A 28 -6.848 14.383 -6.583 1.00 0.00 O ATOM 359 CB SER A 28 -8.964 16.596 -6.543 1.00 0.00 C ATOM 360 OG SER A 28 -9.555 17.545 -5.672 1.00 0.00 O ATOM 0 H SER A 28 -10.285 15.958 -4.563 1.00 0.00 H new ATOM 0 HA SER A 28 -9.407 14.496 -6.811 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.920 16.865 -6.703 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.459 16.649 -7.513 1.00 0.00 H new ATOM 0 HG SER A 28 -9.474 18.441 -6.061 1.00 0.00 H new ATOM 366 N THR A 29 -7.317 14.537 -4.388 1.00 0.00 N ATOM 367 CA THR A 29 -5.985 14.249 -3.863 1.00 0.00 C ATOM 368 C THR A 29 -6.022 13.077 -2.875 1.00 0.00 C ATOM 369 O THR A 29 -5.010 12.787 -2.229 1.00 0.00 O ATOM 370 CB THR A 29 -5.410 15.537 -3.236 1.00 0.00 C ATOM 371 OG1 THR A 29 -6.258 16.133 -2.256 1.00 0.00 O ATOM 372 CG2 THR A 29 -5.178 16.593 -4.322 1.00 0.00 C ATOM 0 H THR A 29 -8.013 14.646 -3.651 1.00 0.00 H new ATOM 0 HA THR A 29 -5.325 13.936 -4.672 1.00 0.00 H new ATOM 0 HB THR A 29 -4.484 15.228 -2.750 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.108 15.647 -2.220 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.772 17.498 -3.869 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.473 16.208 -5.059 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.124 16.825 -4.812 1.00 0.00 H new ATOM 380 N LEU A 30 -7.186 12.427 -2.739 1.00 0.00 N ATOM 381 CA LEU A 30 -7.463 11.446 -1.703 1.00 0.00 C ATOM 382 C LEU A 30 -8.317 10.325 -2.262 1.00 0.00 C ATOM 383 O LEU A 30 -9.294 10.575 -2.971 1.00 0.00 O ATOM 384 CB LEU A 30 -8.186 12.131 -0.533 1.00 0.00 C ATOM 385 CG LEU A 30 -8.211 11.415 0.824 1.00 0.00 C ATOM 386 CD1 LEU A 30 -9.302 10.353 0.917 1.00 0.00 C ATOM 387 CD2 LEU A 30 -6.823 10.887 1.199 1.00 0.00 C ATOM 0 H LEU A 30 -7.975 12.579 -3.367 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.524 11.022 -1.347 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.727 13.109 -0.385 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.218 12.306 -0.836 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.480 12.159 1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.269 9.882 1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.277 10.819 0.771 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.141 9.598 0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.874 10.385 2.165 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.485 10.181 0.440 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.121 11.719 1.259 1.00 0.00 H new ATOM 399 N ALA A 31 -8.046 9.101 -1.825 1.00 0.00 N ATOM 400 CA ALA A 31 -8.929 7.971 -2.054 1.00 0.00 C ATOM 401 C ALA A 31 -9.007 7.155 -0.776 1.00 0.00 C ATOM 402 O ALA A 31 -8.139 7.292 0.085 1.00 0.00 O ATOM 403 CB ALA A 31 -8.468 7.158 -3.267 1.00 0.00 C ATOM 0 H ALA A 31 -7.203 8.867 -1.300 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.935 8.312 -2.297 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.144 6.317 -3.419 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.473 7.792 -4.153 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.459 6.785 -3.093 1.00 0.00 H new ATOM 409 N GLU A 32 -10.018 6.304 -0.657 1.00 0.00 N ATOM 410 CA GLU A 32 -10.178 5.357 0.406 1.00 0.00 C ATOM 411 C GLU A 32 -10.133 3.991 -0.262 1.00 0.00 C ATOM 412 O GLU A 32 -10.863 3.724 -1.211 1.00 0.00 O ATOM 413 CB GLU A 32 -11.476 5.645 1.178 1.00 0.00 C ATOM 414 CG GLU A 32 -11.290 4.988 2.537 1.00 0.00 C ATOM 415 CD GLU A 32 -12.377 5.169 3.606 1.00 0.00 C ATOM 416 OE1 GLU A 32 -13.582 5.354 3.316 1.00 0.00 O ATOM 417 OE2 GLU A 32 -12.008 5.067 4.803 1.00 0.00 O ATOM 0 H GLU A 32 -10.777 6.264 -1.338 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.395 5.412 1.162 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.643 6.717 1.279 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.342 5.235 0.658 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.167 3.918 2.371 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.353 5.356 2.955 1.00 0.00 H new ATOM 424 N VAL A 33 -9.186 3.168 0.148 1.00 0.00 N ATOM 425 CA VAL A 33 -8.996 1.803 -0.313 1.00 0.00 C ATOM 426 C VAL A 33 -9.650 0.906 0.727 1.00 0.00 C ATOM 427 O VAL A 33 -9.550 1.193 1.916 1.00 0.00 O ATOM 428 CB VAL A 33 -7.498 1.483 -0.444 1.00 0.00 C ATOM 429 CG1 VAL A 33 -7.324 0.098 -1.063 1.00 0.00 C ATOM 430 CG2 VAL A 33 -6.750 2.477 -1.337 1.00 0.00 C ATOM 0 H VAL A 33 -8.495 3.445 0.845 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.440 1.651 -1.297 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.084 1.538 0.563 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.262 -0.128 -1.156 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.800 -0.648 -0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.786 0.080 -2.050 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.698 2.198 -1.390 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.180 2.462 -2.338 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.839 3.480 -0.919 1.00 0.00 H new ATOM 440 N HIS A 34 -10.259 -0.192 0.291 1.00 0.00 N ATOM 441 CA HIS A 34 -11.007 -1.136 1.109 1.00 0.00 C ATOM 442 C HIS A 34 -10.554 -2.537 0.725 1.00 0.00 C ATOM 443 O HIS A 34 -10.293 -2.805 -0.449 1.00 0.00 O ATOM 444 CB HIS A 34 -12.523 -1.009 0.870 1.00 0.00 C ATOM 445 CG HIS A 34 -13.068 0.402 0.912 1.00 0.00 C ATOM 446 ND1 HIS A 34 -14.020 0.907 1.774 1.00 0.00 N ATOM 447 CD2 HIS A 34 -12.774 1.390 0.013 1.00 0.00 C ATOM 448 CE1 HIS A 34 -14.281 2.171 1.398 1.00 0.00 C ATOM 449 NE2 HIS A 34 -13.566 2.498 0.308 1.00 0.00 N ATOM 0 H HIS A 34 -10.242 -0.460 -0.693 1.00 0.00 H new ATOM 0 HA HIS A 34 -10.819 -0.930 2.163 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -12.759 -1.443 -0.102 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -13.044 -1.605 1.620 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -12.052 1.323 -0.788 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -14.970 2.832 1.902 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -13.597 3.381 -0.202 1.00 0.00 H new ATOM 457 N TRP A 35 -10.500 -3.446 1.687 1.00 0.00 N ATOM 458 CA TRP A 35 -10.148 -4.842 1.496 1.00 0.00 C ATOM 459 C TRP A 35 -10.914 -5.678 2.524 1.00 0.00 C ATOM 460 O TRP A 35 -11.591 -5.133 3.399 1.00 0.00 O ATOM 461 CB TRP A 35 -8.625 -4.985 1.627 1.00 0.00 C ATOM 462 CG TRP A 35 -8.047 -4.499 2.919 1.00 0.00 C ATOM 463 CD1 TRP A 35 -8.033 -5.197 4.076 1.00 0.00 C ATOM 464 CD2 TRP A 35 -7.463 -3.196 3.228 1.00 0.00 C ATOM 465 NE1 TRP A 35 -7.501 -4.414 5.074 1.00 0.00 N ATOM 466 CE2 TRP A 35 -7.104 -3.186 4.607 1.00 0.00 C ATOM 467 CE3 TRP A 35 -7.230 -2.008 2.501 1.00 0.00 C ATOM 468 CZ2 TRP A 35 -6.525 -2.077 5.233 1.00 0.00 C ATOM 469 CZ3 TRP A 35 -6.650 -0.884 3.118 1.00 0.00 C ATOM 470 CH2 TRP A 35 -6.273 -0.924 4.474 1.00 0.00 C ATOM 0 H TRP A 35 -10.709 -3.221 2.660 1.00 0.00 H new ATOM 0 HA TRP A 35 -10.426 -5.201 0.505 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.363 -6.036 1.503 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -8.154 -4.440 0.809 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -8.384 -6.211 4.198 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -7.412 -4.711 6.046 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -7.501 -1.961 1.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -6.276 -2.108 6.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -6.492 0.018 2.546 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -5.792 -0.071 4.928 1.00 0.00 H new ATOM 481 N ASP A 36 -10.836 -7.003 2.422 1.00 0.00 N ATOM 482 CA ASP A 36 -11.539 -7.896 3.344 1.00 0.00 C ATOM 483 C ASP A 36 -10.645 -8.213 4.542 1.00 0.00 C ATOM 484 O ASP A 36 -9.434 -8.369 4.360 1.00 0.00 O ATOM 485 CB ASP A 36 -11.926 -9.207 2.648 1.00 0.00 C ATOM 486 CG ASP A 36 -13.223 -9.122 1.845 1.00 0.00 C ATOM 487 OD1 ASP A 36 -13.901 -8.070 1.846 1.00 0.00 O ATOM 488 OD2 ASP A 36 -13.582 -10.156 1.239 1.00 0.00 O ATOM 0 H ASP A 36 -10.291 -7.485 1.707 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.446 -7.392 3.678 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.117 -9.506 1.982 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.026 -9.990 3.400 1.00 0.00 H new ATOM 493 N PRO A 37 -11.210 -8.354 5.752 1.00 0.00 N ATOM 494 CA PRO A 37 -10.491 -8.833 6.919 1.00 0.00 C ATOM 495 C PRO A 37 -10.178 -10.316 6.739 1.00 0.00 C ATOM 496 O PRO A 37 -11.093 -11.143 6.725 1.00 0.00 O ATOM 497 CB PRO A 37 -11.414 -8.588 8.114 1.00 0.00 C ATOM 498 CG PRO A 37 -12.820 -8.583 7.509 1.00 0.00 C ATOM 499 CD PRO A 37 -12.614 -8.139 6.065 1.00 0.00 C ATOM 0 HA PRO A 37 -9.541 -8.321 7.068 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.307 -9.369 8.866 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -11.188 -7.641 8.604 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -13.277 -9.571 7.559 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -13.480 -7.900 8.044 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -13.252 -8.711 5.391 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -12.880 -7.089 5.942 1.00 0.00 H new ATOM 507 N VAL A 38 -8.900 -10.656 6.585 1.00 0.00 N ATOM 508 CA VAL A 38 -8.483 -12.049 6.472 1.00 0.00 C ATOM 509 C VAL A 38 -8.338 -12.684 7.874 1.00 0.00 C ATOM 510 O VAL A 38 -8.192 -11.961 8.873 1.00 0.00 O ATOM 511 CB VAL A 38 -7.217 -12.147 5.601 1.00 0.00 C ATOM 512 CG1 VAL A 38 -7.453 -11.547 4.211 1.00 0.00 C ATOM 513 CG2 VAL A 38 -6.003 -11.484 6.239 1.00 0.00 C ATOM 0 H VAL A 38 -8.135 -9.983 6.536 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.249 -12.634 5.963 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.003 -13.212 5.509 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.542 -11.631 3.619 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.259 -12.086 3.714 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.726 -10.496 4.310 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.143 -11.586 5.577 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.210 -10.427 6.403 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.786 -11.964 7.193 1.00 0.00 H new ATOM 523 N PRO A 39 -8.382 -14.022 7.979 1.00 0.00 N ATOM 524 CA PRO A 39 -8.384 -14.729 9.251 1.00 0.00 C ATOM 525 C PRO A 39 -6.979 -14.856 9.840 1.00 0.00 C ATOM 526 O PRO A 39 -5.993 -15.002 9.123 1.00 0.00 O ATOM 527 CB PRO A 39 -8.970 -16.104 8.935 1.00 0.00 C ATOM 528 CG PRO A 39 -8.686 -16.338 7.458 1.00 0.00 C ATOM 529 CD PRO A 39 -8.576 -14.938 6.868 1.00 0.00 C ATOM 0 HA PRO A 39 -8.964 -14.192 10.002 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.510 -16.877 9.550 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.041 -16.130 9.138 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.765 -16.903 7.315 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.486 -16.907 6.985 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.742 -14.879 6.169 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -9.477 -14.683 6.311 1.00 0.00 H new ATOM 537 N LEU A 40 -6.885 -14.909 11.168 1.00 0.00 N ATOM 538 CA LEU A 40 -5.655 -15.111 11.904 1.00 0.00 C ATOM 539 C LEU A 40 -5.011 -16.432 11.482 1.00 0.00 C ATOM 540 O LEU A 40 -3.799 -16.479 11.294 1.00 0.00 O ATOM 541 CB LEU A 40 -6.060 -15.023 13.376 1.00 0.00 C ATOM 542 CG LEU A 40 -4.995 -15.093 14.482 1.00 0.00 C ATOM 543 CD1 LEU A 40 -3.521 -15.187 14.075 1.00 0.00 C ATOM 544 CD2 LEU A 40 -5.165 -13.896 15.427 1.00 0.00 C ATOM 0 H LEU A 40 -7.698 -14.808 11.776 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.883 -14.368 11.706 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.598 -14.084 13.506 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.772 -15.827 13.563 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.195 -16.058 14.948 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.899 -15.228 14.969 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.364 -16.088 13.482 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.250 -14.312 13.484 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.411 -13.943 16.213 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.047 -12.969 14.865 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.158 -13.924 15.875 1.00 0.00 H new ATOM 556 N LYS A 41 -5.797 -17.468 11.188 1.00 0.00 N ATOM 557 CA LYS A 41 -5.258 -18.734 10.707 1.00 0.00 C ATOM 558 C LYS A 41 -4.476 -18.626 9.404 1.00 0.00 C ATOM 559 O LYS A 41 -3.597 -19.462 9.206 1.00 0.00 O ATOM 560 CB LYS A 41 -6.371 -19.782 10.601 1.00 0.00 C ATOM 561 CG LYS A 41 -6.624 -20.328 12.015 1.00 0.00 C ATOM 562 CD LYS A 41 -7.701 -21.417 12.053 1.00 0.00 C ATOM 563 CE LYS A 41 -7.176 -22.569 12.916 1.00 0.00 C ATOM 564 NZ LYS A 41 -8.207 -23.577 13.214 1.00 0.00 N ATOM 0 H LYS A 41 -6.813 -17.452 11.276 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.529 -19.054 11.451 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.279 -19.338 10.193 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.078 -20.586 9.926 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.693 -20.731 12.415 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.922 -19.507 12.667 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.629 -21.022 12.467 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.926 -21.767 11.045 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.342 -23.050 12.404 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.786 -22.167 13.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.796 -24.331 13.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.992 -23.129 13.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.562 -23.984 12.325 1.00 0.00 H new ATOM 578 N SER A 42 -4.727 -17.639 8.535 1.00 0.00 N ATOM 579 CA SER A 42 -3.875 -17.409 7.370 1.00 0.00 C ATOM 580 C SER A 42 -2.782 -16.382 7.664 1.00 0.00 C ATOM 581 O SER A 42 -1.766 -16.390 6.978 1.00 0.00 O ATOM 582 CB SER A 42 -4.718 -17.025 6.160 1.00 0.00 C ATOM 583 OG SER A 42 -5.483 -15.873 6.404 1.00 0.00 O ATOM 0 H SER A 42 -5.511 -16.991 8.619 1.00 0.00 H new ATOM 0 HA SER A 42 -3.363 -18.341 7.132 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.067 -16.855 5.302 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.379 -17.852 5.900 1.00 0.00 H new ATOM 0 HG SER A 42 -5.424 -15.636 7.353 1.00 0.00 H new ATOM 589 N ILE A 43 -2.931 -15.529 8.681 1.00 0.00 N ATOM 590 CA ILE A 43 -1.823 -14.725 9.192 1.00 0.00 C ATOM 591 C ILE A 43 -0.759 -15.690 9.753 1.00 0.00 C ATOM 592 O ILE A 43 0.423 -15.455 9.539 1.00 0.00 O ATOM 593 CB ILE A 43 -2.319 -13.691 10.237 1.00 0.00 C ATOM 594 CG1 ILE A 43 -3.431 -12.780 9.662 1.00 0.00 C ATOM 595 CG2 ILE A 43 -1.193 -12.770 10.741 1.00 0.00 C ATOM 596 CD1 ILE A 43 -4.172 -11.964 10.730 1.00 0.00 C ATOM 0 H ILE A 43 -3.815 -15.379 9.168 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.373 -14.134 8.394 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.702 -14.290 11.063 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.990 -12.097 8.936 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.151 -13.396 9.123 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.597 -12.067 11.470 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.414 -13.371 11.210 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.770 -12.219 9.901 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.936 -11.350 10.253 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.643 -12.641 11.443 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.464 -11.321 11.253 1.00 0.00 H new ATOM 608 N ARG A 44 -1.160 -16.768 10.445 1.00 0.00 N ATOM 609 CA ARG A 44 -0.342 -17.729 11.206 1.00 0.00 C ATOM 610 C ARG A 44 0.532 -17.116 12.301 1.00 0.00 C ATOM 611 O ARG A 44 1.165 -17.870 13.039 1.00 0.00 O ATOM 612 CB ARG A 44 0.483 -18.641 10.276 1.00 0.00 C ATOM 613 CG ARG A 44 -0.399 -19.713 9.621 1.00 0.00 C ATOM 614 CD ARG A 44 0.314 -21.065 9.543 1.00 0.00 C ATOM 615 NE ARG A 44 0.448 -21.661 10.888 1.00 0.00 N ATOM 616 CZ ARG A 44 0.643 -22.950 11.186 1.00 0.00 C ATOM 617 NH1 ARG A 44 0.833 -23.858 10.228 1.00 0.00 N ATOM 618 NH2 ARG A 44 0.619 -23.319 12.461 1.00 0.00 N ATOM 0 H ARG A 44 -2.149 -17.012 10.491 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.071 -18.339 11.739 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.962 -18.039 9.504 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.279 -19.120 10.846 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.323 -19.821 10.190 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.678 -19.391 8.618 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.245 -21.740 8.894 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.300 -20.937 9.096 1.00 0.00 H new ATOM 0 HE ARG A 44 0.385 -21.018 11.677 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.831 -23.574 9.248 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.980 -24.837 10.475 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.454 -22.625 13.190 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.765 -24.297 12.712 1.00 0.00 H new ATOM 632 N GLY A 45 0.548 -15.799 12.446 1.00 0.00 N ATOM 633 CA GLY A 45 1.381 -15.068 13.372 1.00 0.00 C ATOM 634 C GLY A 45 0.648 -13.825 13.835 1.00 0.00 C ATOM 635 O GLY A 45 -0.563 -13.694 13.628 1.00 0.00 O ATOM 0 H GLY A 45 -0.051 -15.187 11.891 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.631 -15.696 14.227 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.321 -14.792 12.893 1.00 0.00 H new ATOM 639 N HIS A 46 1.366 -12.903 14.469 1.00 0.00 N ATOM 640 CA HIS A 46 0.791 -11.637 14.899 1.00 0.00 C ATOM 641 C HIS A 46 0.889 -10.616 13.777 1.00 0.00 C ATOM 642 O HIS A 46 1.981 -10.140 13.461 1.00 0.00 O ATOM 643 CB HIS A 46 1.404 -11.170 16.224 1.00 0.00 C ATOM 644 CG HIS A 46 0.504 -11.618 17.348 1.00 0.00 C ATOM 645 ND1 HIS A 46 -0.569 -10.896 17.814 1.00 0.00 N ATOM 646 CD2 HIS A 46 0.409 -12.886 17.858 1.00 0.00 C ATOM 647 CE1 HIS A 46 -1.295 -11.700 18.605 1.00 0.00 C ATOM 648 NE2 HIS A 46 -0.742 -12.926 18.661 1.00 0.00 N ATOM 0 H HIS A 46 2.354 -13.012 14.697 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.271 -11.769 15.108 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.403 -11.588 16.348 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.509 -10.085 16.232 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.092 -13.703 17.676 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.196 -11.405 19.123 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -1.091 -13.728 19.185 1.00 0.00 H new ATOM 656 N LEU A 47 -0.269 -10.311 13.175 1.00 0.00 N ATOM 657 CA LEU A 47 -0.446 -9.251 12.191 1.00 0.00 C ATOM 658 C LEU A 47 0.190 -7.988 12.744 1.00 0.00 C ATOM 659 O LEU A 47 -0.073 -7.608 13.884 1.00 0.00 O ATOM 660 CB LEU A 47 -1.941 -8.997 11.941 1.00 0.00 C ATOM 661 CG LEU A 47 -2.224 -7.924 10.866 1.00 0.00 C ATOM 662 CD1 LEU A 47 -2.104 -8.486 9.447 1.00 0.00 C ATOM 663 CD2 LEU A 47 -3.618 -7.325 11.050 1.00 0.00 C ATOM 0 H LEU A 47 -1.133 -10.816 13.371 1.00 0.00 H new ATOM 0 HA LEU A 47 0.019 -9.541 11.249 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.413 -9.932 11.639 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.409 -8.691 12.877 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.470 -7.148 10.994 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.311 -7.697 8.724 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.094 -8.866 9.290 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.821 -9.296 9.315 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.795 -6.572 10.282 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.367 -8.113 10.965 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.688 -6.862 12.034 1.00 0.00 H new ATOM 675 N GLN A 48 1.012 -7.356 11.929 1.00 0.00 N ATOM 676 CA GLN A 48 1.494 -6.010 12.127 1.00 0.00 C ATOM 677 C GLN A 48 0.422 -5.089 11.550 1.00 0.00 C ATOM 678 O GLN A 48 -0.238 -4.340 12.275 1.00 0.00 O ATOM 679 CB GLN A 48 2.845 -5.896 11.404 1.00 0.00 C ATOM 680 CG GLN A 48 3.957 -6.688 12.090 1.00 0.00 C ATOM 681 CD GLN A 48 4.464 -6.041 13.364 1.00 0.00 C ATOM 682 OE1 GLN A 48 5.412 -5.266 13.322 1.00 0.00 O ATOM 683 NE2 GLN A 48 3.870 -6.390 14.489 1.00 0.00 N ATOM 0 H GLN A 48 1.374 -7.786 11.078 1.00 0.00 H new ATOM 0 HA GLN A 48 1.660 -5.740 13.170 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.733 -6.250 10.379 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.134 -4.847 11.349 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.590 -7.688 12.321 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.789 -6.806 11.396 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.084 -7.039 14.470 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.197 -6.010 15.377 1.00 0.00 H new ATOM 692 N GLY A 49 0.185 -5.216 10.245 1.00 0.00 N ATOM 693 CA GLY A 49 -0.773 -4.417 9.520 1.00 0.00 C ATOM 694 C GLY A 49 -0.889 -4.918 8.098 1.00 0.00 C ATOM 695 O GLY A 49 -0.398 -5.993 7.744 1.00 0.00 O ATOM 0 H GLY A 49 0.670 -5.896 9.659 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.745 -4.463 10.012 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.464 -3.372 9.523 1.00 0.00 H new ATOM 699 N TYR A 50 -1.495 -4.085 7.266 1.00 0.00 N ATOM 700 CA TYR A 50 -1.516 -4.277 5.833 1.00 0.00 C ATOM 701 C TYR A 50 -0.430 -3.370 5.244 1.00 0.00 C ATOM 702 O TYR A 50 0.040 -2.428 5.899 1.00 0.00 O ATOM 703 CB TYR A 50 -2.935 -3.986 5.316 1.00 0.00 C ATOM 704 CG TYR A 50 -3.973 -4.976 5.824 1.00 0.00 C ATOM 705 CD1 TYR A 50 -4.548 -4.813 7.100 1.00 0.00 C ATOM 706 CD2 TYR A 50 -4.351 -6.076 5.029 1.00 0.00 C ATOM 707 CE1 TYR A 50 -5.503 -5.728 7.570 1.00 0.00 C ATOM 708 CE2 TYR A 50 -5.324 -6.986 5.484 1.00 0.00 C ATOM 709 CZ TYR A 50 -5.918 -6.800 6.750 1.00 0.00 C ATOM 710 OH TYR A 50 -6.899 -7.644 7.168 1.00 0.00 O ATOM 0 H TYR A 50 -1.990 -3.249 7.575 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.293 -5.300 5.530 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.225 -2.979 5.617 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.928 -4.004 4.226 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.252 -3.979 7.720 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.891 -6.222 4.063 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.921 -5.612 8.559 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -5.615 -7.823 4.866 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.228 -8.166 6.407 1.00 0.00 H new ATOM 720 N ARG A 51 0.009 -3.656 4.016 1.00 0.00 N ATOM 721 CA ARG A 51 1.002 -2.839 3.325 1.00 0.00 C ATOM 722 C ARG A 51 0.552 -2.613 1.887 1.00 0.00 C ATOM 723 O ARG A 51 0.691 -3.491 1.040 1.00 0.00 O ATOM 724 CB ARG A 51 2.422 -3.423 3.470 1.00 0.00 C ATOM 725 CG ARG A 51 3.495 -2.396 3.069 1.00 0.00 C ATOM 726 CD ARG A 51 4.935 -2.904 3.194 1.00 0.00 C ATOM 727 NE ARG A 51 5.375 -3.041 4.595 1.00 0.00 N ATOM 728 CZ ARG A 51 6.257 -3.919 5.095 1.00 0.00 C ATOM 729 NH1 ARG A 51 6.803 -4.863 4.346 1.00 0.00 N ATOM 730 NH2 ARG A 51 6.607 -3.851 6.369 1.00 0.00 N ATOM 0 H ARG A 51 -0.315 -4.459 3.476 1.00 0.00 H new ATOM 0 HA ARG A 51 1.070 -1.857 3.793 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.584 -3.737 4.501 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.517 -4.312 2.847 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.319 -2.089 2.038 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.381 -1.508 3.690 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.019 -3.870 2.696 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.604 -2.218 2.674 1.00 0.00 H new ATOM 0 HE ARG A 51 4.959 -2.391 5.263 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.556 -4.938 3.359 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.471 -5.516 4.755 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.206 -3.131 6.970 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.278 -4.518 6.750 1.00 0.00 H new ATOM 744 N ILE A 52 -0.031 -1.445 1.633 1.00 0.00 N ATOM 745 CA ILE A 52 -0.363 -0.936 0.315 1.00 0.00 C ATOM 746 C ILE A 52 0.937 -0.409 -0.303 1.00 0.00 C ATOM 747 O ILE A 52 1.538 0.529 0.235 1.00 0.00 O ATOM 748 CB ILE A 52 -1.435 0.179 0.408 1.00 0.00 C ATOM 749 CG1 ILE A 52 -2.677 -0.276 1.209 1.00 0.00 C ATOM 750 CG2 ILE A 52 -1.835 0.606 -1.015 1.00 0.00 C ATOM 751 CD1 ILE A 52 -3.774 0.792 1.306 1.00 0.00 C ATOM 0 H ILE A 52 -0.295 -0.801 2.379 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.788 -1.723 -0.309 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.008 1.026 0.945 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.092 -1.169 0.742 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.366 -0.557 2.215 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.589 1.391 -0.961 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.958 0.982 -1.542 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.241 -0.251 -1.551 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.613 0.401 1.882 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.376 1.678 1.801 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.113 1.057 0.305 1.00 0.00 H new ATOM 763 N TYR A 53 1.345 -0.988 -1.429 1.00 0.00 N ATOM 764 CA TYR A 53 2.286 -0.419 -2.395 1.00 0.00 C ATOM 765 C TYR A 53 1.421 0.327 -3.419 1.00 0.00 C ATOM 766 O TYR A 53 0.288 -0.092 -3.643 1.00 0.00 O ATOM 767 CB TYR A 53 3.032 -1.558 -3.127 1.00 0.00 C ATOM 768 CG TYR A 53 4.080 -2.303 -2.311 1.00 0.00 C ATOM 769 CD1 TYR A 53 3.704 -3.024 -1.158 1.00 0.00 C ATOM 770 CD2 TYR A 53 5.442 -2.252 -2.684 1.00 0.00 C ATOM 771 CE1 TYR A 53 4.683 -3.560 -0.307 1.00 0.00 C ATOM 772 CE2 TYR A 53 6.427 -2.778 -1.823 1.00 0.00 C ATOM 773 CZ TYR A 53 6.052 -3.384 -0.601 1.00 0.00 C ATOM 774 OH TYR A 53 6.982 -3.725 0.334 1.00 0.00 O ATOM 0 H TYR A 53 1.014 -1.911 -1.708 1.00 0.00 H new ATOM 0 HA TYR A 53 3.017 0.227 -1.909 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.295 -2.279 -3.480 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.517 -1.140 -4.009 1.00 0.00 H new ATOM 0 HD1 TYR A 53 2.658 -3.164 -0.929 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.728 -1.811 -3.627 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.388 -4.109 0.575 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.470 -2.718 -2.097 1.00 0.00 H new ATOM 0 HH TYR A 53 6.647 -4.473 0.871 1.00 0.00 H new ATOM 784 N TYR A 54 1.893 1.407 -4.047 1.00 0.00 N ATOM 785 CA TYR A 54 1.235 2.064 -5.175 1.00 0.00 C ATOM 786 C TYR A 54 2.244 2.818 -6.056 1.00 0.00 C ATOM 787 O TYR A 54 3.375 3.035 -5.624 1.00 0.00 O ATOM 788 CB TYR A 54 0.123 2.984 -4.628 1.00 0.00 C ATOM 789 CG TYR A 54 0.594 4.209 -3.889 1.00 0.00 C ATOM 790 CD1 TYR A 54 0.911 4.097 -2.529 1.00 0.00 C ATOM 791 CD2 TYR A 54 0.672 5.450 -4.542 1.00 0.00 C ATOM 792 CE1 TYR A 54 1.284 5.244 -1.806 1.00 0.00 C ATOM 793 CE2 TYR A 54 1.055 6.600 -3.827 1.00 0.00 C ATOM 794 CZ TYR A 54 1.328 6.508 -2.444 1.00 0.00 C ATOM 795 OH TYR A 54 1.705 7.620 -1.751 1.00 0.00 O ATOM 0 H TYR A 54 2.766 1.859 -3.776 1.00 0.00 H new ATOM 0 HA TYR A 54 0.781 1.315 -5.825 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.502 3.303 -5.462 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.510 2.400 -3.960 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.869 3.136 -2.039 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.438 5.522 -5.594 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.538 5.161 -0.760 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.140 7.550 -4.334 1.00 0.00 H new ATOM 0 HH TYR A 54 1.679 8.400 -2.344 1.00 0.00 H new ATOM 805 N TRP A 55 1.875 3.213 -7.279 1.00 0.00 N ATOM 806 CA TRP A 55 2.666 4.089 -8.152 1.00 0.00 C ATOM 807 C TRP A 55 1.762 4.946 -9.042 1.00 0.00 C ATOM 808 O TRP A 55 0.608 4.588 -9.300 1.00 0.00 O ATOM 809 CB TRP A 55 3.663 3.283 -9.004 1.00 0.00 C ATOM 810 CG TRP A 55 3.128 2.146 -9.818 1.00 0.00 C ATOM 811 CD1 TRP A 55 2.788 2.188 -11.126 1.00 0.00 C ATOM 812 CD2 TRP A 55 2.890 0.775 -9.388 1.00 0.00 C ATOM 813 NE1 TRP A 55 2.340 0.945 -11.527 1.00 0.00 N ATOM 814 CE2 TRP A 55 2.380 0.032 -10.492 1.00 0.00 C ATOM 815 CE3 TRP A 55 3.043 0.097 -8.162 1.00 0.00 C ATOM 816 CZ2 TRP A 55 2.000 -1.315 -10.369 1.00 0.00 C ATOM 817 CZ3 TRP A 55 2.640 -1.241 -8.021 1.00 0.00 C ATOM 818 CH2 TRP A 55 2.103 -1.942 -9.114 1.00 0.00 C ATOM 0 H TRP A 55 0.993 2.924 -7.702 1.00 0.00 H new ATOM 0 HA TRP A 55 3.239 4.756 -7.509 1.00 0.00 H new ATOM 0 HB2 TRP A 55 4.160 3.976 -9.683 1.00 0.00 H new ATOM 0 HB3 TRP A 55 4.429 2.886 -8.337 1.00 0.00 H new ATOM 0 HD1 TRP A 55 2.856 3.060 -11.760 1.00 0.00 H new ATOM 0 HE1 TRP A 55 2.019 0.728 -12.471 1.00 0.00 H new ATOM 0 HE3 TRP A 55 3.476 0.614 -7.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 1.634 -1.861 -11.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 2.744 -1.734 -7.066 1.00 0.00 H new ATOM 0 HH2 TRP A 55 1.769 -2.962 -8.991 1.00 0.00 H new ATOM 829 N LYS A 56 2.309 6.058 -9.552 1.00 0.00 N ATOM 830 CA LYS A 56 1.666 6.906 -10.553 1.00 0.00 C ATOM 831 C LYS A 56 1.623 6.104 -11.843 1.00 0.00 C ATOM 832 O LYS A 56 2.597 5.426 -12.165 1.00 0.00 O ATOM 833 CB LYS A 56 2.498 8.192 -10.735 1.00 0.00 C ATOM 834 CG LYS A 56 1.915 9.214 -11.727 1.00 0.00 C ATOM 835 CD LYS A 56 0.779 10.045 -11.130 1.00 0.00 C ATOM 836 CE LYS A 56 0.202 11.045 -12.135 1.00 0.00 C ATOM 837 NZ LYS A 56 1.110 12.165 -12.457 1.00 0.00 N ATOM 0 H LYS A 56 3.230 6.396 -9.271 1.00 0.00 H new ATOM 0 HA LYS A 56 0.659 7.197 -10.255 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.609 8.675 -9.764 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.498 7.915 -11.069 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.709 9.882 -12.061 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.549 8.688 -12.609 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.013 9.380 -10.787 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.145 10.582 -10.255 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.047 10.517 -13.055 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.729 11.448 -11.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.651 12.798 -13.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.330 12.694 -11.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.990 11.792 -12.867 1.00 0.00 H new ATOM 851 N THR A 57 0.514 6.161 -12.566 1.00 0.00 N ATOM 852 CA THR A 57 0.345 5.486 -13.841 1.00 0.00 C ATOM 853 C THR A 57 0.086 6.581 -14.883 1.00 0.00 C ATOM 854 O THR A 57 -0.585 7.568 -14.581 1.00 0.00 O ATOM 855 CB THR A 57 -0.801 4.473 -13.679 1.00 0.00 C ATOM 856 OG1 THR A 57 -0.538 3.613 -12.574 1.00 0.00 O ATOM 857 CG2 THR A 57 -0.981 3.601 -14.915 1.00 0.00 C ATOM 0 H THR A 57 -0.309 6.689 -12.275 1.00 0.00 H new ATOM 0 HA THR A 57 1.215 4.919 -14.172 1.00 0.00 H new ATOM 0 HB THR A 57 -1.710 5.053 -13.521 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.043 2.780 -12.680 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.802 2.903 -14.751 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.207 4.231 -15.775 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.063 3.044 -15.104 1.00 0.00 H new ATOM 1096 N LYS A 71 5.710 3.975 -4.538 1.00 0.00 N ATOM 1097 CA LYS A 71 5.432 4.527 -3.222 1.00 0.00 C ATOM 1098 C LYS A 71 4.801 3.442 -2.344 1.00 0.00 C ATOM 1099 O LYS A 71 4.464 2.361 -2.837 1.00 0.00 O ATOM 1100 CB LYS A 71 4.478 5.708 -3.414 1.00 0.00 C ATOM 1101 CG LYS A 71 5.073 7.055 -2.976 1.00 0.00 C ATOM 1102 CD LYS A 71 4.482 8.146 -3.850 1.00 0.00 C ATOM 1103 CE LYS A 71 4.893 9.571 -3.462 1.00 0.00 C ATOM 1104 NZ LYS A 71 6.140 10.021 -4.119 1.00 0.00 N ATOM 0 HA LYS A 71 6.342 4.868 -2.729 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.196 5.769 -4.465 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.565 5.522 -2.849 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.848 7.246 -1.927 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.159 7.039 -3.071 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.779 7.966 -4.883 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.395 8.073 -3.813 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.087 10.257 -3.721 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.021 9.623 -2.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.362 10.990 -3.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.921 9.387 -3.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.015 10.002 -5.151 1.00 0.00 H new ATOM 1118 N ILE A 72 4.626 3.733 -1.056 1.00 0.00 N ATOM 1119 CA ILE A 72 3.992 2.874 -0.044 1.00 0.00 C ATOM 1120 C ILE A 72 3.168 3.788 0.876 1.00 0.00 C ATOM 1121 O ILE A 72 3.401 5.000 0.896 1.00 0.00 O ATOM 1122 CB ILE A 72 5.056 2.093 0.772 1.00 0.00 C ATOM 1123 CG1 ILE A 72 6.172 1.423 -0.023 1.00 0.00 C ATOM 1124 CG2 ILE A 72 4.487 1.062 1.769 1.00 0.00 C ATOM 1125 CD1 ILE A 72 5.736 0.208 -0.779 1.00 0.00 C ATOM 0 H ILE A 72 4.938 4.622 -0.664 1.00 0.00 H new ATOM 0 HA ILE A 72 3.354 2.132 -0.524 1.00 0.00 H new ATOM 0 HB ILE A 72 5.499 2.923 1.323 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.588 2.145 -0.725 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.974 1.145 0.660 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.307 0.569 2.290 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.850 1.570 2.493 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.901 0.318 1.229 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.586 -0.210 -1.318 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.348 -0.535 -0.082 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.956 0.482 -1.489 1.00 0.00 H new ATOM 1137 N LEU A 73 2.213 3.235 1.627 1.00 0.00 N ATOM 1138 CA LEU A 73 1.372 3.967 2.586 1.00 0.00 C ATOM 1139 C LEU A 73 0.864 3.017 3.667 1.00 0.00 C ATOM 1140 O LEU A 73 0.102 2.097 3.370 1.00 0.00 O ATOM 1141 CB LEU A 73 0.200 4.626 1.842 1.00 0.00 C ATOM 1142 CG LEU A 73 0.204 6.150 1.979 1.00 0.00 C ATOM 1143 CD1 LEU A 73 -0.532 6.814 0.832 1.00 0.00 C ATOM 1144 CD2 LEU A 73 -0.544 6.621 3.209 1.00 0.00 C ATOM 0 H LEU A 73 1.995 2.239 1.586 1.00 0.00 H new ATOM 0 HA LEU A 73 1.962 4.746 3.068 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.247 4.359 0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.740 4.232 2.229 1.00 0.00 H new ATOM 0 HG LEU A 73 1.260 6.416 2.016 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.509 7.896 0.963 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.050 6.552 -0.110 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.567 6.472 0.817 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.512 7.709 3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.581 6.291 3.153 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.078 6.202 4.101 1.00 0.00 H new ATOM 1156 N THR A 74 1.380 3.156 4.879 1.00 0.00 N ATOM 1157 CA THR A 74 1.299 2.163 5.951 1.00 0.00 C ATOM 1158 C THR A 74 -0.046 2.246 6.686 1.00 0.00 C ATOM 1159 O THR A 74 -0.484 3.343 7.039 1.00 0.00 O ATOM 1160 CB THR A 74 2.478 2.396 6.915 1.00 0.00 C ATOM 1161 OG1 THR A 74 3.669 2.605 6.176 1.00 0.00 O ATOM 1162 CG2 THR A 74 2.735 1.188 7.821 1.00 0.00 C ATOM 0 H THR A 74 1.888 3.995 5.158 1.00 0.00 H new ATOM 0 HA THR A 74 1.362 1.160 5.529 1.00 0.00 H new ATOM 0 HB THR A 74 2.213 3.262 7.522 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.415 2.754 6.794 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.575 1.401 8.482 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.846 0.985 8.418 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.967 0.317 7.209 1.00 0.00 H new ATOM 1170 N PHE A 75 -0.676 1.092 6.955 1.00 0.00 N ATOM 1171 CA PHE A 75 -1.902 0.986 7.744 1.00 0.00 C ATOM 1172 C PHE A 75 -1.752 -0.205 8.685 1.00 0.00 C ATOM 1173 O PHE A 75 -1.880 -1.358 8.263 1.00 0.00 O ATOM 1174 CB PHE A 75 -3.134 0.877 6.829 1.00 0.00 C ATOM 1175 CG PHE A 75 -3.307 2.110 5.963 1.00 0.00 C ATOM 1176 CD1 PHE A 75 -3.836 3.291 6.522 1.00 0.00 C ATOM 1177 CD2 PHE A 75 -2.803 2.121 4.649 1.00 0.00 C ATOM 1178 CE1 PHE A 75 -3.813 4.491 5.789 1.00 0.00 C ATOM 1179 CE2 PHE A 75 -2.776 3.323 3.924 1.00 0.00 C ATOM 1180 CZ PHE A 75 -3.255 4.505 4.500 1.00 0.00 C ATOM 0 H PHE A 75 -0.336 0.190 6.621 1.00 0.00 H new ATOM 0 HA PHE A 75 -2.059 1.884 8.341 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.037 -0.003 6.193 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.027 0.733 7.438 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.260 3.274 7.515 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.439 1.209 4.200 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.222 5.396 6.214 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.384 3.335 2.918 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.195 5.433 3.951 1.00 0.00 H new ATOM 1190 N GLN A 76 -1.368 0.065 9.934 1.00 0.00 N ATOM 1191 CA GLN A 76 -1.271 -0.934 10.982 1.00 0.00 C ATOM 1192 C GLN A 76 -2.662 -1.302 11.517 1.00 0.00 C ATOM 1193 O GLN A 76 -3.663 -0.661 11.178 1.00 0.00 O ATOM 1194 CB GLN A 76 -0.344 -0.412 12.085 1.00 0.00 C ATOM 1195 CG GLN A 76 1.039 0.002 11.546 1.00 0.00 C ATOM 1196 CD GLN A 76 1.301 1.506 11.601 1.00 0.00 C ATOM 1197 OE1 GLN A 76 1.133 2.226 10.618 1.00 0.00 O ATOM 1198 NE2 GLN A 76 1.726 2.035 12.735 1.00 0.00 N ATOM 0 H GLN A 76 -1.113 1.003 10.244 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.843 -1.852 10.580 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.811 0.443 12.573 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -0.218 -1.183 12.845 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.810 -0.512 12.120 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.131 -0.335 10.514 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.867 1.442 13.553 1.00 0.00 H new ATOM 0 HE22 GLN A 76 1.913 3.036 12.792 1.00 0.00 H new ATOM 1207 N GLY A 77 -2.712 -2.312 12.385 1.00 0.00 N ATOM 1208 CA GLY A 77 -3.946 -2.788 12.993 1.00 0.00 C ATOM 1209 C GLY A 77 -4.740 -3.678 12.037 1.00 0.00 C ATOM 1210 O GLY A 77 -4.394 -3.850 10.866 1.00 0.00 O ATOM 0 H GLY A 77 -1.885 -2.826 12.687 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.713 -3.345 13.900 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.558 -1.936 13.290 1.00 0.00 H new ATOM 1214 N SER A 78 -5.838 -4.237 12.539 1.00 0.00 N ATOM 1215 CA SER A 78 -6.719 -5.170 11.839 1.00 0.00 C ATOM 1216 C SER A 78 -7.750 -4.460 10.951 1.00 0.00 C ATOM 1217 O SER A 78 -8.865 -4.954 10.754 1.00 0.00 O ATOM 1218 CB SER A 78 -7.365 -6.071 12.891 1.00 0.00 C ATOM 1219 OG SER A 78 -8.067 -5.336 13.885 1.00 0.00 O ATOM 0 H SER A 78 -6.153 -4.043 13.490 1.00 0.00 H new ATOM 0 HA SER A 78 -6.138 -5.775 11.143 1.00 0.00 H new ATOM 0 HB2 SER A 78 -8.053 -6.760 12.401 1.00 0.00 H new ATOM 0 HB3 SER A 78 -6.594 -6.676 13.369 1.00 0.00 H new ATOM 0 HG SER A 78 -8.463 -5.956 14.532 1.00 0.00 H new ATOM 1225 N LYS A 79 -7.421 -3.257 10.477 1.00 0.00 N ATOM 1226 CA LYS A 79 -8.288 -2.466 9.623 1.00 0.00 C ATOM 1227 C LYS A 79 -8.620 -3.178 8.319 1.00 0.00 C ATOM 1228 O LYS A 79 -7.967 -4.128 7.891 1.00 0.00 O ATOM 1229 CB LYS A 79 -7.638 -1.092 9.374 1.00 0.00 C ATOM 1230 CG LYS A 79 -8.447 0.008 10.063 1.00 0.00 C ATOM 1231 CD LYS A 79 -9.603 0.564 9.208 1.00 0.00 C ATOM 1232 CE LYS A 79 -10.872 0.798 10.031 1.00 0.00 C ATOM 1233 NZ LYS A 79 -11.901 -0.255 9.875 1.00 0.00 N ATOM 0 H LYS A 79 -6.530 -2.804 10.683 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.240 -2.323 10.134 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.615 -1.092 9.751 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -7.583 -0.896 8.303 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -8.854 -0.384 10.995 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -7.777 0.827 10.327 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.293 1.502 8.747 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.821 -0.132 8.398 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.600 0.871 11.084 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.304 1.757 9.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.372 -0.418 10.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.604 0.049 9.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.450 -1.136 9.556 1.00 0.00 H new ATOM 1247 N THR A 80 -9.637 -2.644 7.668 1.00 0.00 N ATOM 1248 CA THR A 80 -10.264 -3.158 6.469 1.00 0.00 C ATOM 1249 C THR A 80 -10.333 -2.076 5.385 1.00 0.00 C ATOM 1250 O THR A 80 -10.841 -2.317 4.292 1.00 0.00 O ATOM 1251 CB THR A 80 -11.643 -3.682 6.874 1.00 0.00 C ATOM 1252 OG1 THR A 80 -12.300 -2.729 7.707 1.00 0.00 O ATOM 1253 CG2 THR A 80 -11.509 -4.987 7.659 1.00 0.00 C ATOM 0 H THR A 80 -10.075 -1.780 7.987 1.00 0.00 H new ATOM 0 HA THR A 80 -9.683 -3.971 6.032 1.00 0.00 H new ATOM 0 HB THR A 80 -12.220 -3.854 5.965 1.00 0.00 H new ATOM 0 HG1 THR A 80 -13.183 -3.070 7.961 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.499 -5.346 7.939 1.00 0.00 H new ATOM 0 HG22 THR A 80 -11.014 -5.735 7.040 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.919 -4.812 8.558 1.00 0.00 H new ATOM 1261 N HIS A 81 -9.852 -0.867 5.680 1.00 0.00 N ATOM 1262 CA HIS A 81 -9.717 0.227 4.740 1.00 0.00 C ATOM 1263 C HIS A 81 -8.567 1.121 5.200 1.00 0.00 C ATOM 1264 O HIS A 81 -8.103 1.016 6.342 1.00 0.00 O ATOM 1265 CB HIS A 81 -11.043 1.001 4.546 1.00 0.00 C ATOM 1266 CG HIS A 81 -11.782 1.388 5.799 1.00 0.00 C ATOM 1267 ND1 HIS A 81 -12.013 2.669 6.245 1.00 0.00 N ATOM 1268 CD2 HIS A 81 -12.442 0.534 6.636 1.00 0.00 C ATOM 1269 CE1 HIS A 81 -12.740 2.586 7.369 1.00 0.00 C ATOM 1270 NE2 HIS A 81 -13.006 1.297 7.660 1.00 0.00 N ATOM 0 H HIS A 81 -9.536 -0.622 6.618 1.00 0.00 H new ATOM 0 HA HIS A 81 -9.481 -0.169 3.752 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -10.829 1.909 3.981 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -11.707 0.393 3.932 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -11.689 3.528 5.800 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -12.514 -0.538 6.526 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -13.066 3.431 7.957 1.00 0.00 H new ATOM 1278 N GLY A 82 -8.086 1.964 4.294 1.00 0.00 N ATOM 1279 CA GLY A 82 -6.947 2.858 4.431 1.00 0.00 C ATOM 1280 C GLY A 82 -7.108 3.982 3.414 1.00 0.00 C ATOM 1281 O GLY A 82 -8.003 3.925 2.573 1.00 0.00 O ATOM 0 H GLY A 82 -8.517 2.045 3.373 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.899 3.262 5.442 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.016 2.318 4.259 1.00 0.00 H new ATOM 1285 N MET A 83 -6.256 5.002 3.453 1.00 0.00 N ATOM 1286 CA MET A 83 -6.407 6.193 2.633 1.00 0.00 C ATOM 1287 C MET A 83 -5.249 6.297 1.648 1.00 0.00 C ATOM 1288 O MET A 83 -4.165 5.786 1.907 1.00 0.00 O ATOM 1289 CB MET A 83 -6.444 7.424 3.541 1.00 0.00 C ATOM 1290 CG MET A 83 -7.588 7.370 4.558 1.00 0.00 C ATOM 1291 SD MET A 83 -7.821 8.924 5.455 1.00 0.00 S ATOM 1292 CE MET A 83 -8.642 9.841 4.130 1.00 0.00 C ATOM 0 H MET A 83 -5.436 5.023 4.060 1.00 0.00 H new ATOM 0 HA MET A 83 -7.337 6.134 2.067 1.00 0.00 H new ATOM 0 HB2 MET A 83 -5.495 7.509 4.071 1.00 0.00 H new ATOM 0 HB3 MET A 83 -6.549 8.320 2.929 1.00 0.00 H new ATOM 0 HG2 MET A 83 -8.513 7.115 4.041 1.00 0.00 H new ATOM 0 HG3 MET A 83 -7.392 6.571 5.273 1.00 0.00 H new ATOM 0 HE1 MET A 83 -8.122 10.784 3.964 1.00 0.00 H new ATOM 0 HE2 MET A 83 -8.625 9.250 3.214 1.00 0.00 H new ATOM 0 HE3 MET A 83 -9.675 10.042 4.413 1.00 0.00 H new ATOM 1302 N LEU A 84 -5.424 7.047 0.565 1.00 0.00 N ATOM 1303 CA LEU A 84 -4.355 7.434 -0.339 1.00 0.00 C ATOM 1304 C LEU A 84 -4.287 8.960 -0.400 1.00 0.00 C ATOM 1305 O LEU A 84 -4.809 9.525 -1.354 1.00 0.00 O ATOM 1306 CB LEU A 84 -4.539 6.748 -1.718 1.00 0.00 C ATOM 1307 CG LEU A 84 -3.656 5.510 -1.954 1.00 0.00 C ATOM 1308 CD1 LEU A 84 -2.171 5.856 -1.994 1.00 0.00 C ATOM 1309 CD2 LEU A 84 -3.849 4.406 -0.924 1.00 0.00 C ATOM 0 H LEU A 84 -6.336 7.410 0.288 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.388 7.088 0.027 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.584 6.456 -1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.331 7.478 -2.500 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.986 5.140 -2.925 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.591 4.949 -2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.984 6.562 -2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.876 6.304 -1.045 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.192 3.569 -1.160 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.608 4.788 0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.886 4.069 -0.941 1.00 0.00 H new ATOM 1321 N PRO A 85 -3.717 9.643 0.612 1.00 0.00 N ATOM 1322 CA PRO A 85 -3.401 11.066 0.546 1.00 0.00 C ATOM 1323 C PRO A 85 -2.026 11.291 -0.088 1.00 0.00 C ATOM 1324 O PRO A 85 -1.097 10.505 0.117 1.00 0.00 O ATOM 1325 CB PRO A 85 -3.393 11.530 2.007 1.00 0.00 C ATOM 1326 CG PRO A 85 -2.912 10.296 2.772 1.00 0.00 C ATOM 1327 CD PRO A 85 -3.431 9.124 1.943 1.00 0.00 C ATOM 0 HA PRO A 85 -4.118 11.615 -0.064 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -2.726 12.379 2.155 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -4.384 11.843 2.334 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.825 10.276 2.855 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -3.310 10.275 3.787 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -2.690 8.326 1.896 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -4.328 8.699 2.393 1.00 0.00 H new ATOM 1335 N GLY A 86 -1.855 12.417 -0.778 1.00 0.00 N ATOM 1336 CA GLY A 86 -0.599 12.791 -1.421 1.00 0.00 C ATOM 1337 C GLY A 86 -0.597 12.459 -2.910 1.00 0.00 C ATOM 1338 O GLY A 86 0.465 12.166 -3.469 1.00 0.00 O ATOM 0 H GLY A 86 -2.597 13.105 -0.907 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -0.428 13.859 -1.288 1.00 0.00 H new ATOM 0 HA3 GLY A 86 0.226 12.273 -0.933 1.00 0.00 H new ATOM 1342 N LEU A 87 -1.777 12.423 -3.530 1.00 0.00 N ATOM 1343 CA LEU A 87 -2.016 12.001 -4.904 1.00 0.00 C ATOM 1344 C LEU A 87 -2.384 13.238 -5.721 1.00 0.00 C ATOM 1345 O LEU A 87 -2.622 14.309 -5.163 1.00 0.00 O ATOM 1346 CB LEU A 87 -3.157 10.963 -4.937 1.00 0.00 C ATOM 1347 CG LEU A 87 -2.836 9.550 -4.413 1.00 0.00 C ATOM 1348 CD1 LEU A 87 -1.945 8.758 -5.349 1.00 0.00 C ATOM 1349 CD2 LEU A 87 -2.172 9.501 -3.036 1.00 0.00 C ATOM 0 H LEU A 87 -2.637 12.704 -3.058 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.125 11.535 -5.326 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.990 11.358 -4.356 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.501 10.872 -5.967 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.830 9.107 -4.343 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.756 7.772 -4.924 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.438 8.648 -6.315 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.999 9.283 -5.483 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.987 8.463 -2.758 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.226 10.042 -3.069 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.829 9.963 -2.299 1.00 0.00 H new ATOM 1361 N GLU A 88 -2.459 13.077 -7.038 1.00 0.00 N ATOM 1362 CA GLU A 88 -2.750 14.159 -7.976 1.00 0.00 C ATOM 1363 C GLU A 88 -4.087 13.906 -8.682 1.00 0.00 C ATOM 1364 O GLU A 88 -4.414 12.750 -8.974 1.00 0.00 O ATOM 1365 CB GLU A 88 -1.618 14.300 -9.002 1.00 0.00 C ATOM 1366 CG GLU A 88 -0.400 15.075 -8.468 1.00 0.00 C ATOM 1367 CD GLU A 88 -0.399 16.585 -8.759 1.00 0.00 C ATOM 1368 OE1 GLU A 88 -1.469 17.188 -8.992 1.00 0.00 O ATOM 1369 OE2 GLU A 88 0.689 17.211 -8.747 1.00 0.00 O ATOM 0 H GLU A 88 -2.317 12.175 -7.493 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.824 15.092 -7.417 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.298 13.307 -9.317 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.002 14.807 -9.888 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.343 14.930 -7.389 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.503 14.639 -8.896 1.00 0.00 H new ATOM 1376 N PRO A 89 -4.859 14.966 -8.977 1.00 0.00 N ATOM 1377 CA PRO A 89 -6.103 14.875 -9.718 1.00 0.00 C ATOM 1378 C PRO A 89 -5.896 14.536 -11.202 1.00 0.00 C ATOM 1379 O PRO A 89 -4.771 14.589 -11.709 1.00 0.00 O ATOM 1380 CB PRO A 89 -6.814 16.212 -9.535 1.00 0.00 C ATOM 1381 CG PRO A 89 -5.819 17.150 -8.860 1.00 0.00 C ATOM 1382 CD PRO A 89 -4.575 16.331 -8.589 1.00 0.00 C ATOM 0 HA PRO A 89 -6.706 14.052 -9.334 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -7.134 16.614 -10.496 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.709 16.094 -8.925 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -5.591 18.001 -9.502 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -6.230 17.550 -7.933 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.728 16.722 -9.154 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -4.305 16.381 -7.534 1.00 0.00 H new ATOM 1390 N PHE A 90 -7.012 14.218 -11.881 1.00 0.00 N ATOM 1391 CA PHE A 90 -7.124 13.802 -13.284 1.00 0.00 C ATOM 1392 C PHE A 90 -5.925 12.934 -13.700 1.00 0.00 C ATOM 1393 O PHE A 90 -5.232 13.216 -14.678 1.00 0.00 O ATOM 1394 CB PHE A 90 -7.374 15.024 -14.190 1.00 0.00 C ATOM 1395 CG PHE A 90 -8.091 14.704 -15.503 1.00 0.00 C ATOM 1396 CD1 PHE A 90 -9.498 14.706 -15.568 1.00 0.00 C ATOM 1397 CD2 PHE A 90 -7.368 14.406 -16.677 1.00 0.00 C ATOM 1398 CE1 PHE A 90 -10.168 14.456 -16.776 1.00 0.00 C ATOM 1399 CE2 PHE A 90 -8.035 14.147 -17.888 1.00 0.00 C ATOM 1400 CZ PHE A 90 -9.438 14.189 -17.943 1.00 0.00 C ATOM 0 H PHE A 90 -7.925 14.248 -11.427 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.996 13.159 -13.407 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -7.964 15.755 -13.638 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -6.417 15.493 -14.418 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -10.071 14.903 -14.674 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.289 14.376 -16.646 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -11.247 14.469 -16.807 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -7.467 13.915 -18.777 1.00 0.00 H new ATOM 0 HZ PHE A 90 -9.951 14.017 -18.878 1.00 0.00 H new ATOM 1410 N SER A 91 -5.640 11.903 -12.907 1.00 0.00 N ATOM 1411 CA SER A 91 -4.529 10.983 -13.087 1.00 0.00 C ATOM 1412 C SER A 91 -5.065 9.552 -13.008 1.00 0.00 C ATOM 1413 O SER A 91 -6.269 9.338 -12.827 1.00 0.00 O ATOM 1414 CB SER A 91 -3.455 11.261 -12.022 1.00 0.00 C ATOM 1415 OG SER A 91 -2.960 12.587 -12.119 1.00 0.00 O ATOM 0 H SER A 91 -6.204 11.680 -12.087 1.00 0.00 H new ATOM 0 HA SER A 91 -4.061 11.120 -14.062 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.875 11.100 -11.029 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.633 10.555 -12.139 1.00 0.00 H new ATOM 0 HG SER A 91 -3.708 13.219 -12.084 1.00 0.00 H new ATOM 1421 N HIS A 92 -4.166 8.580 -13.148 1.00 0.00 N ATOM 1422 CA HIS A 92 -4.400 7.160 -12.985 1.00 0.00 C ATOM 1423 C HIS A 92 -3.283 6.696 -12.047 1.00 0.00 C ATOM 1424 O HIS A 92 -2.159 7.201 -12.130 1.00 0.00 O ATOM 1425 CB HIS A 92 -4.315 6.524 -14.385 1.00 0.00 C ATOM 1426 CG HIS A 92 -5.001 5.192 -14.569 1.00 0.00 C ATOM 1427 ND1 HIS A 92 -4.391 4.005 -14.919 1.00 0.00 N ATOM 1428 CD2 HIS A 92 -6.350 4.955 -14.506 1.00 0.00 C ATOM 1429 CE1 HIS A 92 -5.342 3.061 -15.003 1.00 0.00 C ATOM 1430 NE2 HIS A 92 -6.544 3.587 -14.727 1.00 0.00 N ATOM 0 H HIS A 92 -3.197 8.783 -13.394 1.00 0.00 H new ATOM 0 HA HIS A 92 -5.369 6.889 -12.566 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -4.738 7.226 -15.104 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -3.262 6.402 -14.640 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -7.120 5.689 -14.320 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -5.164 2.026 -15.257 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -7.431 3.085 -14.686 1.00 0.00 H new ATOM 1438 N TYR A 93 -3.559 5.751 -11.156 1.00 0.00 N ATOM 1439 CA TYR A 93 -2.557 5.164 -10.269 1.00 0.00 C ATOM 1440 C TYR A 93 -2.765 3.648 -10.236 1.00 0.00 C ATOM 1441 O TYR A 93 -3.772 3.128 -10.718 1.00 0.00 O ATOM 1442 CB TYR A 93 -2.631 5.810 -8.869 1.00 0.00 C ATOM 1443 CG TYR A 93 -1.978 7.187 -8.731 1.00 0.00 C ATOM 1444 CD1 TYR A 93 -2.651 8.350 -9.152 1.00 0.00 C ATOM 1445 CD2 TYR A 93 -0.722 7.321 -8.103 1.00 0.00 C ATOM 1446 CE1 TYR A 93 -2.112 9.625 -8.902 1.00 0.00 C ATOM 1447 CE2 TYR A 93 -0.141 8.591 -7.906 1.00 0.00 C ATOM 1448 CZ TYR A 93 -0.855 9.755 -8.275 1.00 0.00 C ATOM 1449 OH TYR A 93 -0.372 11.003 -8.015 1.00 0.00 O ATOM 0 H TYR A 93 -4.494 5.365 -11.026 1.00 0.00 H new ATOM 0 HA TYR A 93 -1.551 5.361 -10.641 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -3.680 5.897 -8.586 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -2.163 5.134 -8.153 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.593 8.262 -9.673 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -0.198 6.438 -7.768 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.663 10.508 -9.191 1.00 0.00 H new ATOM 0 HE2 TYR A 93 0.846 8.674 -7.475 1.00 0.00 H new ATOM 0 HH TYR A 93 0.503 10.931 -7.580 1.00 0.00 H new ATOM 1459 N THR A 94 -1.815 2.908 -9.681 1.00 0.00 N ATOM 1460 CA THR A 94 -1.988 1.498 -9.360 1.00 0.00 C ATOM 1461 C THR A 94 -1.633 1.346 -7.888 1.00 0.00 C ATOM 1462 O THR A 94 -0.696 2.008 -7.454 1.00 0.00 O ATOM 1463 CB THR A 94 -1.075 0.655 -10.260 1.00 0.00 C ATOM 1464 OG1 THR A 94 -1.329 0.938 -11.634 1.00 0.00 O ATOM 1465 CG2 THR A 94 -1.250 -0.843 -9.966 1.00 0.00 C ATOM 0 H THR A 94 -0.894 3.273 -9.439 1.00 0.00 H new ATOM 0 HA THR A 94 -3.008 1.155 -9.533 1.00 0.00 H new ATOM 0 HB THR A 94 -0.040 0.920 -10.043 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.738 0.394 -12.195 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.593 -1.421 -10.616 1.00 0.00 H new ATOM 0 HG22 THR A 94 -0.996 -1.041 -8.925 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.285 -1.131 -10.148 1.00 0.00 H new ATOM 1473 N LEU A 95 -2.331 0.498 -7.130 1.00 0.00 N ATOM 1474 CA LEU A 95 -1.981 0.091 -5.770 1.00 0.00 C ATOM 1475 C LEU A 95 -2.203 -1.415 -5.601 1.00 0.00 C ATOM 1476 O LEU A 95 -3.066 -2.005 -6.261 1.00 0.00 O ATOM 1477 CB LEU A 95 -2.711 0.917 -4.691 1.00 0.00 C ATOM 1478 CG LEU A 95 -4.260 0.926 -4.579 1.00 0.00 C ATOM 1479 CD1 LEU A 95 -4.999 0.843 -5.913 1.00 0.00 C ATOM 1480 CD2 LEU A 95 -4.761 -0.202 -3.670 1.00 0.00 C ATOM 0 H LEU A 95 -3.190 0.059 -7.461 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.922 0.300 -5.621 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.327 0.586 -3.726 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.398 1.953 -4.821 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.489 1.900 -4.147 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.074 0.856 -5.735 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.724 1.695 -6.535 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.727 -0.081 -6.423 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.849 -0.167 -3.613 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.449 -1.164 -4.078 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.341 -0.078 -2.672 1.00 0.00 H new ATOM 1492 N ASN A 96 -1.470 -2.033 -4.675 1.00 0.00 N ATOM 1493 CA ASN A 96 -1.623 -3.441 -4.294 1.00 0.00 C ATOM 1494 C ASN A 96 -1.419 -3.580 -2.796 1.00 0.00 C ATOM 1495 O ASN A 96 -0.414 -3.124 -2.252 1.00 0.00 O ATOM 1496 CB ASN A 96 -0.716 -4.424 -5.068 1.00 0.00 C ATOM 1497 CG ASN A 96 0.735 -3.993 -5.257 1.00 0.00 C ATOM 1498 OD1 ASN A 96 1.007 -3.050 -5.986 1.00 0.00 O ATOM 1499 ND2 ASN A 96 1.690 -4.687 -4.659 1.00 0.00 N ATOM 0 H ASN A 96 -0.733 -1.557 -4.154 1.00 0.00 H new ATOM 0 HA ASN A 96 -2.638 -3.727 -4.572 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -0.724 -5.381 -4.547 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -1.154 -4.593 -6.052 1.00 0.00 H new ATOM 0 HD21 ASN A 96 2.668 -4.438 -4.804 1.00 0.00 H new ATOM 0 HD22 ASN A 96 1.448 -5.471 -4.054 1.00 0.00 H new ATOM 1506 N VAL A 97 -2.357 -4.255 -2.135 1.00 0.00 N ATOM 1507 CA VAL A 97 -2.391 -4.469 -0.695 1.00 0.00 C ATOM 1508 C VAL A 97 -1.593 -5.752 -0.429 1.00 0.00 C ATOM 1509 O VAL A 97 -1.284 -6.529 -1.337 1.00 0.00 O ATOM 1510 CB VAL A 97 -3.868 -4.565 -0.208 1.00 0.00 C ATOM 1511 CG1 VAL A 97 -3.996 -4.481 1.324 1.00 0.00 C ATOM 1512 CG2 VAL A 97 -4.754 -3.448 -0.796 1.00 0.00 C ATOM 0 H VAL A 97 -3.148 -4.686 -2.613 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.946 -3.642 -0.141 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.205 -5.541 -0.558 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.046 -4.553 1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.441 -5.300 1.781 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.592 -3.530 1.671 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.773 -3.559 -0.426 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -4.363 -2.476 -0.494 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.753 -3.518 -1.884 1.00 0.00 H new ATOM 1522 N ARG A 98 -1.177 -5.957 0.811 1.00 0.00 N ATOM 1523 CA ARG A 98 -0.443 -7.118 1.296 1.00 0.00 C ATOM 1524 C ARG A 98 -0.795 -7.237 2.766 1.00 0.00 C ATOM 1525 O ARG A 98 -1.204 -6.229 3.351 1.00 0.00 O ATOM 1526 CB ARG A 98 1.063 -6.855 1.134 1.00 0.00 C ATOM 1527 CG ARG A 98 1.898 -8.118 0.925 1.00 0.00 C ATOM 1528 CD ARG A 98 3.365 -7.730 0.703 1.00 0.00 C ATOM 1529 NE ARG A 98 4.010 -8.619 -0.276 1.00 0.00 N ATOM 1530 CZ ARG A 98 4.308 -8.298 -1.540 1.00 0.00 C ATOM 1531 NH1 ARG A 98 3.889 -7.160 -2.092 1.00 0.00 N ATOM 1532 NH2 ARG A 98 5.024 -9.122 -2.289 1.00 0.00 N ATOM 0 H ARG A 98 -1.353 -5.277 1.551 1.00 0.00 H new ATOM 0 HA ARG A 98 -0.692 -8.029 0.752 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.215 -6.187 0.286 1.00 0.00 H new ATOM 0 HB3 ARG A 98 1.427 -6.334 2.019 1.00 0.00 H new ATOM 0 HG2 ARG A 98 1.811 -8.772 1.793 1.00 0.00 H new ATOM 0 HG3 ARG A 98 1.524 -8.676 0.066 1.00 0.00 H new ATOM 0 HD2 ARG A 98 3.422 -6.699 0.354 1.00 0.00 H new ATOM 0 HD3 ARG A 98 3.903 -7.776 1.650 1.00 0.00 H new ATOM 0 HE ARG A 98 4.250 -9.560 0.036 1.00 0.00 H new ATOM 0 HH11 ARG A 98 3.325 -6.507 -1.548 1.00 0.00 H new ATOM 0 HH12 ARG A 98 4.132 -6.942 -3.058 1.00 0.00 H new ATOM 0 HH21 ARG A 98 5.352 -10.007 -1.903 1.00 0.00 H new ATOM 0 HH22 ARG A 98 5.248 -8.871 -3.252 1.00 0.00 H new ATOM 1546 N VAL A 99 -0.580 -8.398 3.369 1.00 0.00 N ATOM 1547 CA VAL A 99 -0.636 -8.539 4.818 1.00 0.00 C ATOM 1548 C VAL A 99 0.812 -8.693 5.311 1.00 0.00 C ATOM 1549 O VAL A 99 1.656 -9.241 4.591 1.00 0.00 O ATOM 1550 CB VAL A 99 -1.621 -9.668 5.211 1.00 0.00 C ATOM 1551 CG1 VAL A 99 -2.886 -9.722 4.328 1.00 0.00 C ATOM 1552 CG2 VAL A 99 -0.986 -11.055 5.176 1.00 0.00 C ATOM 0 H VAL A 99 -0.364 -9.262 2.873 1.00 0.00 H new ATOM 0 HA VAL A 99 -1.048 -7.664 5.320 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.901 -9.409 6.232 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.528 -10.537 4.662 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.426 -8.778 4.407 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.598 -9.889 3.290 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.727 -11.802 5.461 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.628 -11.266 4.168 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -0.149 -11.090 5.873 1.00 0.00 H new ATOM 1562 N VAL A 100 1.112 -8.184 6.505 1.00 0.00 N ATOM 1563 CA VAL A 100 2.453 -8.133 7.078 1.00 0.00 C ATOM 1564 C VAL A 100 2.335 -8.509 8.545 1.00 0.00 C ATOM 1565 O VAL A 100 1.417 -8.043 9.227 1.00 0.00 O ATOM 1566 CB VAL A 100 3.040 -6.714 6.922 1.00 0.00 C ATOM 1567 CG1 VAL A 100 4.425 -6.592 7.582 1.00 0.00 C ATOM 1568 CG2 VAL A 100 3.125 -6.310 5.443 1.00 0.00 C ATOM 0 H VAL A 100 0.403 -7.783 7.119 1.00 0.00 H new ATOM 0 HA VAL A 100 3.122 -8.824 6.566 1.00 0.00 H new ATOM 0 HB VAL A 100 2.361 -6.032 7.434 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.803 -5.578 7.450 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.342 -6.812 8.646 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.113 -7.299 7.118 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.542 -5.306 5.363 1.00 0.00 H new ATOM 0 HG22 VAL A 100 3.766 -7.012 4.910 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.127 -6.324 5.004 1.00 0.00 H new ATOM 1578 N ASN A 101 3.288 -9.296 9.050 1.00 0.00 N ATOM 1579 CA ASN A 101 3.286 -9.772 10.424 1.00 0.00 C ATOM 1580 C ASN A 101 4.664 -9.604 11.042 1.00 0.00 C ATOM 1581 O ASN A 101 5.600 -9.133 10.391 1.00 0.00 O ATOM 1582 CB ASN A 101 2.902 -11.269 10.532 1.00 0.00 C ATOM 1583 CG ASN A 101 1.840 -11.806 9.598 1.00 0.00 C ATOM 1584 OD1 ASN A 101 1.002 -11.098 9.056 1.00 0.00 O ATOM 1585 ND2 ASN A 101 1.865 -13.110 9.416 1.00 0.00 N ATOM 0 H ASN A 101 4.088 -9.621 8.507 1.00 0.00 H new ATOM 0 HA ASN A 101 2.542 -9.176 10.952 1.00 0.00 H new ATOM 0 HB2 ASN A 101 3.807 -11.856 10.379 1.00 0.00 H new ATOM 0 HB3 ASN A 101 2.571 -11.454 11.554 1.00 0.00 H new ATOM 0 HD21 ASN A 101 1.174 -13.554 8.811 1.00 0.00 H new ATOM 0 HD22 ASN A 101 2.575 -13.676 9.880 1.00 0.00 H new ATOM 1592 N GLY A 102 4.762 -9.992 12.317 1.00 0.00 N ATOM 1593 CA GLY A 102 5.958 -9.832 13.136 1.00 0.00 C ATOM 1594 C GLY A 102 7.199 -10.405 12.455 1.00 0.00 C ATOM 1595 O GLY A 102 8.262 -9.787 12.504 1.00 0.00 O ATOM 0 H GLY A 102 3.991 -10.436 12.816 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.115 -8.774 13.345 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.809 -10.328 14.095 1.00 0.00 H new ATOM 1599 N LYS A 103 7.073 -11.562 11.790 1.00 0.00 N ATOM 1600 CA LYS A 103 8.189 -12.120 11.038 1.00 0.00 C ATOM 1601 C LYS A 103 8.455 -11.340 9.752 1.00 0.00 C ATOM 1602 O LYS A 103 9.605 -11.015 9.468 1.00 0.00 O ATOM 1603 CB LYS A 103 7.970 -13.616 10.747 1.00 0.00 C ATOM 1604 CG LYS A 103 9.155 -14.255 9.995 1.00 0.00 C ATOM 1605 CD LYS A 103 10.466 -14.059 10.761 1.00 0.00 C ATOM 1606 CE LYS A 103 11.620 -14.851 10.157 1.00 0.00 C ATOM 1607 NZ LYS A 103 12.822 -14.695 11.001 1.00 0.00 N ATOM 0 H LYS A 103 6.219 -12.118 11.761 1.00 0.00 H new ATOM 0 HA LYS A 103 9.078 -12.026 11.661 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.813 -14.146 11.687 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.062 -13.738 10.157 1.00 0.00 H new ATOM 0 HG2 LYS A 103 8.968 -15.320 9.854 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.241 -13.812 9.003 1.00 0.00 H new ATOM 0 HD2 LYS A 103 10.722 -13.000 10.770 1.00 0.00 H new ATOM 0 HD3 LYS A 103 10.325 -14.362 11.799 1.00 0.00 H new ATOM 0 HE2 LYS A 103 11.351 -15.905 10.081 1.00 0.00 H new ATOM 0 HE3 LYS A 103 11.825 -14.500 9.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 13.609 -15.236 10.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 13.082 -13.689 11.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 12.623 -15.050 11.958 1.00 0.00 H new ATOM 1621 N GLY A 104 7.436 -11.103 8.930 1.00 0.00 N ATOM 1622 CA GLY A 104 7.629 -10.693 7.552 1.00 0.00 C ATOM 1623 C GLY A 104 6.306 -10.650 6.804 1.00 0.00 C ATOM 1624 O GLY A 104 5.230 -10.651 7.409 1.00 0.00 O ATOM 0 H GLY A 104 6.458 -11.191 9.205 1.00 0.00 H new ATOM 0 HA2 GLY A 104 8.098 -9.710 7.524 1.00 0.00 H new ATOM 0 HA3 GLY A 104 8.309 -11.385 7.055 1.00 0.00 H new ATOM 1628 N GLU A 105 6.399 -10.543 5.484 1.00 0.00 N ATOM 1629 CA GLU A 105 5.279 -10.387 4.571 1.00 0.00 C ATOM 1630 C GLU A 105 4.832 -11.741 4.011 1.00 0.00 C ATOM 1631 O GLU A 105 5.524 -12.753 4.128 1.00 0.00 O ATOM 1632 CB GLU A 105 5.710 -9.524 3.385 1.00 0.00 C ATOM 1633 CG GLU A 105 6.327 -8.168 3.702 1.00 0.00 C ATOM 1634 CD GLU A 105 6.627 -7.400 2.423 1.00 0.00 C ATOM 1635 OE1 GLU A 105 7.519 -7.879 1.684 1.00 0.00 O ATOM 1636 OE2 GLU A 105 6.024 -6.315 2.231 1.00 0.00 O ATOM 0 H GLU A 105 7.298 -10.564 5.002 1.00 0.00 H new ATOM 0 HA GLU A 105 4.460 -9.927 5.124 1.00 0.00 H new ATOM 0 HB2 GLU A 105 6.429 -10.093 2.796 1.00 0.00 H new ATOM 0 HB3 GLU A 105 4.838 -9.359 2.752 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.646 -7.591 4.327 1.00 0.00 H new ATOM 0 HG3 GLU A 105 7.245 -8.305 4.273 1.00 0.00 H new ATOM 1643 N GLY A 106 3.693 -11.744 3.324 1.00 0.00 N ATOM 1644 CA GLY A 106 3.220 -12.839 2.496 1.00 0.00 C ATOM 1645 C GLY A 106 2.695 -12.279 1.172 1.00 0.00 C ATOM 1646 O GLY A 106 3.147 -11.209 0.745 1.00 0.00 O ATOM 0 H GLY A 106 3.052 -10.950 3.332 1.00 0.00 H new ATOM 0 HA2 GLY A 106 4.029 -13.546 2.310 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.431 -13.386 3.012 1.00 0.00 H new ATOM 1650 N PRO A 107 1.769 -12.982 0.501 1.00 0.00 N ATOM 1651 CA PRO A 107 1.315 -12.607 -0.830 1.00 0.00 C ATOM 1652 C PRO A 107 0.601 -11.257 -0.851 1.00 0.00 C ATOM 1653 O PRO A 107 -0.019 -10.811 0.123 1.00 0.00 O ATOM 1654 CB PRO A 107 0.393 -13.739 -1.285 1.00 0.00 C ATOM 1655 CG PRO A 107 -0.086 -14.380 0.012 1.00 0.00 C ATOM 1656 CD PRO A 107 1.074 -14.172 0.975 1.00 0.00 C ATOM 0 HA PRO A 107 2.162 -12.480 -1.504 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -0.442 -13.359 -1.873 1.00 0.00 H new ATOM 0 HB3 PRO A 107 0.923 -14.457 -1.911 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -0.998 -13.908 0.378 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -0.307 -15.439 -0.124 1.00 0.00 H new ATOM 0 HD2 PRO A 107 0.716 -14.036 1.996 1.00 0.00 H new ATOM 0 HD3 PRO A 107 1.738 -15.037 0.982 1.00 0.00 H new ATOM 1664 N ALA A 108 0.687 -10.629 -2.021 1.00 0.00 N ATOM 1665 CA ALA A 108 -0.032 -9.424 -2.367 1.00 0.00 C ATOM 1666 C ALA A 108 -1.444 -9.783 -2.821 1.00 0.00 C ATOM 1667 O ALA A 108 -1.695 -10.895 -3.297 1.00 0.00 O ATOM 1668 CB ALA A 108 0.730 -8.716 -3.485 1.00 0.00 C ATOM 0 H ALA A 108 1.284 -10.965 -2.777 1.00 0.00 H new ATOM 0 HA ALA A 108 -0.110 -8.763 -1.504 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.204 -7.802 -3.762 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.733 -8.467 -3.140 1.00 0.00 H new ATOM 0 HB3 ALA A 108 0.797 -9.373 -4.352 1.00 0.00 H new ATOM 1674 N SER A 109 -2.347 -8.813 -2.684 1.00 0.00 N ATOM 1675 CA SER A 109 -3.687 -8.853 -3.248 1.00 0.00 C ATOM 1676 C SER A 109 -3.606 -8.777 -4.778 1.00 0.00 C ATOM 1677 O SER A 109 -2.533 -8.488 -5.320 1.00 0.00 O ATOM 1678 CB SER A 109 -4.477 -7.669 -2.658 1.00 0.00 C ATOM 1679 OG SER A 109 -4.019 -6.412 -3.130 1.00 0.00 O ATOM 0 H SER A 109 -2.157 -7.957 -2.163 1.00 0.00 H new ATOM 0 HA SER A 109 -4.195 -9.784 -2.998 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.532 -7.783 -2.906 1.00 0.00 H new ATOM 0 HB3 SER A 109 -4.401 -7.693 -1.571 1.00 0.00 H new ATOM 0 HG SER A 109 -4.300 -6.290 -4.061 1.00 0.00 H new ATOM 1685 N PRO A 110 -4.741 -8.887 -5.490 1.00 0.00 N ATOM 1686 CA PRO A 110 -4.839 -8.312 -6.822 1.00 0.00 C ATOM 1687 C PRO A 110 -4.452 -6.831 -6.779 1.00 0.00 C ATOM 1688 O PRO A 110 -4.755 -6.126 -5.805 1.00 0.00 O ATOM 1689 CB PRO A 110 -6.291 -8.534 -7.257 1.00 0.00 C ATOM 1690 CG PRO A 110 -7.048 -8.671 -5.938 1.00 0.00 C ATOM 1691 CD PRO A 110 -6.034 -9.416 -5.074 1.00 0.00 C ATOM 0 HA PRO A 110 -4.159 -8.774 -7.537 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.664 -7.697 -7.848 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -6.392 -9.429 -7.872 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.312 -7.702 -5.515 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -7.976 -9.231 -6.055 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.212 -9.241 -4.013 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.092 -10.493 -5.233 1.00 0.00 H new ATOM 1699 N ASP A 111 -3.779 -6.355 -7.824 1.00 0.00 N ATOM 1700 CA ASP A 111 -3.524 -4.944 -8.061 1.00 0.00 C ATOM 1701 C ASP A 111 -4.884 -4.291 -8.344 1.00 0.00 C ATOM 1702 O ASP A 111 -5.843 -4.957 -8.752 1.00 0.00 O ATOM 1703 CB ASP A 111 -2.544 -4.734 -9.240 1.00 0.00 C ATOM 1704 CG ASP A 111 -1.285 -5.616 -9.229 1.00 0.00 C ATOM 1705 OD1 ASP A 111 -1.409 -6.866 -9.318 1.00 0.00 O ATOM 1706 OD2 ASP A 111 -0.147 -5.093 -9.226 1.00 0.00 O ATOM 0 H ASP A 111 -3.387 -6.960 -8.546 1.00 0.00 H new ATOM 0 HA ASP A 111 -3.049 -4.489 -7.192 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -3.082 -4.913 -10.171 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -2.233 -3.689 -9.247 1.00 0.00 H new ATOM 1711 N ARG A 112 -5.007 -2.989 -8.106 1.00 0.00 N ATOM 1712 CA ARG A 112 -6.215 -2.229 -8.399 1.00 0.00 C ATOM 1713 C ARG A 112 -5.823 -0.917 -9.039 1.00 0.00 C ATOM 1714 O ARG A 112 -4.668 -0.490 -8.974 1.00 0.00 O ATOM 1715 CB ARG A 112 -7.052 -2.002 -7.122 1.00 0.00 C ATOM 1716 CG ARG A 112 -7.835 -3.244 -6.691 1.00 0.00 C ATOM 1717 CD ARG A 112 -9.087 -3.471 -7.536 1.00 0.00 C ATOM 1718 NE ARG A 112 -9.687 -4.807 -7.368 1.00 0.00 N ATOM 1719 CZ ARG A 112 -9.517 -5.854 -8.191 1.00 0.00 C ATOM 1720 NH1 ARG A 112 -8.463 -5.938 -9.001 1.00 0.00 N ATOM 1721 NH2 ARG A 112 -10.417 -6.831 -8.205 1.00 0.00 N ATOM 0 H ARG A 112 -4.260 -2.426 -7.699 1.00 0.00 H new ATOM 0 HA ARG A 112 -6.840 -2.793 -9.091 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -6.391 -1.696 -6.311 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -7.749 -1.181 -7.292 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -7.189 -4.119 -6.763 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -8.121 -3.144 -5.644 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -9.829 -2.715 -7.279 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -8.836 -3.326 -8.587 1.00 0.00 H new ATOM 0 HE ARG A 112 -10.285 -4.949 -6.554 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -7.763 -5.197 -9.005 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -8.356 -6.744 -9.617 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -11.231 -6.783 -7.593 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -10.294 -7.629 -8.828 1.00 0.00 H new ATOM 1735 N VAL A 113 -6.826 -0.281 -9.622 1.00 0.00 N ATOM 1736 CA VAL A 113 -6.725 0.993 -10.311 1.00 0.00 C ATOM 1737 C VAL A 113 -7.791 1.908 -9.706 1.00 0.00 C ATOM 1738 O VAL A 113 -8.816 1.407 -9.225 1.00 0.00 O ATOM 1739 CB VAL A 113 -6.825 0.786 -11.841 1.00 0.00 C ATOM 1740 CG1 VAL A 113 -5.934 -0.364 -12.337 1.00 0.00 C ATOM 1741 CG2 VAL A 113 -8.258 0.549 -12.310 1.00 0.00 C ATOM 0 H VAL A 113 -7.774 -0.656 -9.627 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.757 1.474 -10.173 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.468 1.719 -12.276 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.041 -0.467 -13.417 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -4.893 -0.149 -12.094 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.235 -1.293 -11.852 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -8.269 0.410 -13.391 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -8.657 -0.342 -11.826 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -8.873 1.410 -12.049 1.00 0.00 H new ATOM 1751 N PHE A 114 -7.557 3.219 -9.721 1.00 0.00 N ATOM 1752 CA PHE A 114 -8.516 4.258 -9.387 1.00 0.00 C ATOM 1753 C PHE A 114 -8.072 5.537 -10.094 1.00 0.00 C ATOM 1754 O PHE A 114 -6.919 5.948 -9.945 1.00 0.00 O ATOM 1755 CB PHE A 114 -8.626 4.460 -7.867 1.00 0.00 C ATOM 1756 CG PHE A 114 -7.392 4.943 -7.110 1.00 0.00 C ATOM 1757 CD1 PHE A 114 -6.390 4.035 -6.725 1.00 0.00 C ATOM 1758 CD2 PHE A 114 -7.284 6.287 -6.704 1.00 0.00 C ATOM 1759 CE1 PHE A 114 -5.327 4.458 -5.905 1.00 0.00 C ATOM 1760 CE2 PHE A 114 -6.233 6.714 -5.876 1.00 0.00 C ATOM 1761 CZ PHE A 114 -5.261 5.788 -5.457 1.00 0.00 C ATOM 0 H PHE A 114 -6.647 3.599 -9.980 1.00 0.00 H new ATOM 0 HA PHE A 114 -9.512 3.971 -9.722 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -9.429 5.174 -7.684 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -8.936 3.512 -7.427 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -6.436 3.009 -7.060 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -8.022 7.002 -7.035 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -4.558 3.756 -5.619 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -6.172 7.746 -5.563 1.00 0.00 H new ATOM 0 HZ PHE A 114 -4.467 6.098 -4.794 1.00 0.00 H new ATOM 1771 N ASN A 115 -8.951 6.165 -10.875 1.00 0.00 N ATOM 1772 CA ASN A 115 -8.686 7.472 -11.469 1.00 0.00 C ATOM 1773 C ASN A 115 -9.146 8.547 -10.493 1.00 0.00 C ATOM 1774 O ASN A 115 -10.142 8.341 -9.796 1.00 0.00 O ATOM 1775 CB ASN A 115 -9.416 7.640 -12.810 1.00 0.00 C ATOM 1776 CG ASN A 115 -10.906 7.920 -12.652 1.00 0.00 C ATOM 1777 OD1 ASN A 115 -11.332 9.066 -12.574 1.00 0.00 O ATOM 1778 ND2 ASN A 115 -11.735 6.891 -12.564 1.00 0.00 N ATOM 0 H ASN A 115 -9.866 5.781 -11.113 1.00 0.00 H new ATOM 0 HA ASN A 115 -7.617 7.561 -11.664 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -8.956 8.457 -13.367 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -9.284 6.736 -13.404 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -12.734 7.051 -12.431 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -11.375 5.939 -12.630 1.00 0.00 H new ATOM 1785 N THR A 116 -8.457 9.684 -10.467 1.00 0.00 N ATOM 1786 CA THR A 116 -8.902 10.851 -9.714 1.00 0.00 C ATOM 1787 C THR A 116 -9.842 11.716 -10.578 1.00 0.00 C ATOM 1788 O THR A 116 -9.751 11.664 -11.808 1.00 0.00 O ATOM 1789 CB THR A 116 -7.693 11.633 -9.174 1.00 0.00 C ATOM 1790 OG1 THR A 116 -6.602 11.609 -10.081 1.00 0.00 O ATOM 1791 CG2 THR A 116 -7.243 11.108 -7.809 1.00 0.00 C ATOM 0 H THR A 116 -7.578 9.822 -10.965 1.00 0.00 H new ATOM 0 HA THR A 116 -9.478 10.529 -8.847 1.00 0.00 H new ATOM 0 HB THR A 116 -8.022 12.666 -9.057 1.00 0.00 H new ATOM 0 HG1 THR A 116 -5.800 11.954 -9.637 1.00 0.00 H new ATOM 0 HG21 THR A 116 -6.387 11.686 -7.461 1.00 0.00 H new ATOM 0 HG22 THR A 116 -8.060 11.205 -7.095 1.00 0.00 H new ATOM 0 HG23 THR A 116 -6.961 10.059 -7.898 1.00 0.00 H new ATOM 1799 N PRO A 117 -10.722 12.537 -9.961 1.00 0.00 N ATOM 1800 CA PRO A 117 -11.838 13.187 -10.642 1.00 0.00 C ATOM 1801 C PRO A 117 -11.376 14.171 -11.720 1.00 0.00 C ATOM 1802 O PRO A 117 -11.367 13.817 -12.898 1.00 0.00 O ATOM 1803 CB PRO A 117 -12.711 13.813 -9.541 1.00 0.00 C ATOM 1804 CG PRO A 117 -11.805 13.884 -8.314 1.00 0.00 C ATOM 1805 CD PRO A 117 -10.856 12.719 -8.524 1.00 0.00 C ATOM 0 HA PRO A 117 -12.430 12.469 -11.210 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -13.062 14.803 -9.831 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -13.595 13.206 -9.345 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -11.273 14.834 -8.260 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -12.371 13.782 -7.388 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -9.887 12.923 -8.069 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -11.244 11.815 -8.055 1.00 0.00 H new ATOM 1813 N GLU A 118 -10.991 15.394 -11.335 1.00 0.00 N ATOM 1814 CA GLU A 118 -10.448 16.392 -12.261 1.00 0.00 C ATOM 1815 C GLU A 118 -9.573 17.437 -11.566 1.00 0.00 C ATOM 1816 O GLU A 118 -8.637 17.983 -12.155 1.00 0.00 O ATOM 1817 CB GLU A 118 -11.580 17.065 -13.058 1.00 0.00 C ATOM 1818 CG GLU A 118 -10.981 18.001 -14.120 1.00 0.00 C ATOM 1819 CD GLU A 118 -11.936 18.505 -15.199 1.00 0.00 C ATOM 1820 OE1 GLU A 118 -13.158 18.226 -15.166 1.00 0.00 O ATOM 1821 OE2 GLU A 118 -11.427 19.221 -16.091 1.00 0.00 O ATOM 0 H GLU A 118 -11.048 15.719 -10.370 1.00 0.00 H new ATOM 0 HA GLU A 118 -9.798 15.857 -12.953 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -12.201 16.308 -13.536 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -12.226 17.629 -12.385 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -10.554 18.865 -13.611 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -10.158 17.480 -14.609 1.00 0.00 H new ATOM 1828 N GLY A 119 -9.862 17.682 -10.295 1.00 0.00 N ATOM 1829 CA GLY A 119 -9.199 18.691 -9.477 1.00 0.00 C ATOM 1830 C GLY A 119 -9.759 20.077 -9.738 1.00 0.00 C ATOM 1831 O GLY A 119 -10.585 20.264 -10.636 1.00 0.00 O ATOM 0 H GLY A 119 -10.585 17.170 -9.789 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -9.319 18.442 -8.423 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -8.129 18.685 -9.686 1.00 0.00 H new