USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 814 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 14 SER OG : rot 65:sc= 1.39 USER MOD Set 1.2: A 16 HIS : no HD1:sc= -4.38! C(o=-0.79!,f=-0.83!) USER MOD Set 1.3: A 90 THR OG1 : rot -92:sc= -0.617! USER MOD Set 1.4: A 108 CYS SG : rot -6:sc= 1.85 USER MOD Set 1.5: A 110 ASN : amide:sc= 0.964 K(o=-0.79,f=-2.6) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.0383 X(o=-0.038,f=-0.038) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 CYS SG : rot -78:sc= -2.24 USER MOD Single : A 32 THR OG1 : rot 82:sc= 0.5 USER MOD Single : A 35 TYR OH : rot -114:sc= 1.24 USER MOD Single : A 36 GLN : amide:sc= -0.618 K(o=-0.62,f=-1.6!) USER MOD Single : A 38 GLN : amide:sc= -0.0144 X(o=-0.014,f=-0.0053) USER MOD Single : A 43 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0112) USER MOD Single : A 44 ASN : amide:sc= 0.598 K(o=0.6,f=-13!) USER MOD Single : A 49 CYS SG : rot 64:sc= -3.45! USER MOD Single : A 50 HIS : no HE2:sc= 0.479 K(o=0.48,f=-5.6!) USER MOD Single : A 54 GLN : amide:sc= -0.484 X(o=-0.48,f=-0.97) USER MOD Single : A 55 GLN : amide:sc= -0.56 K(o=-0.56,f=-0.019) USER MOD Single : A 60 SER OG : rot -46:sc= 0.738 USER MOD Single : A 62 GLN : amide:sc= -0.0851 X(o=-0.085,f=-0.15) USER MOD Single : A 63 GLN : amide:sc= -0.0851 X(o=-0.085,f=-0.085) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.112 K(o=-0.11,f=-2.4) USER MOD Single : A 73 SER OG : rot 39:sc= 0.23 USER MOD Single : A 75 MET CE :methyl 146:sc= -0.171 (180deg=-1.04) USER MOD Single : A 80 SER OG : rot 172:sc= -0.205 USER MOD Single : A 81 LYS NZ :NH3+ -178:sc= 1.09 (180deg=0.948) USER MOD Single : A 82 ASN : amide:sc= 1.12 K(o=1.1,f=-0.34) USER MOD Single : A 83 GLN : amide:sc= -0.697 X(o=-0.7,f=-0.53) USER MOD Single : A 88 MET CE :methyl 169:sc= -1.27 (180deg=-1.52) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -135:sc= 0.171 USER MOD Single : A 96 GLN : amide:sc= -2.14! C(o=-2.1!,f=-3.2!) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot -69:sc= 1.27 USER MOD Single : A 112 ASN : amide:sc= -0.17 K(o=-0.17,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 107 N PRO A 9 -2.111 11.055 -10.918 1.00 0.00 N ATOM 108 CA PRO A 9 -2.137 9.651 -11.357 1.00 0.00 C ATOM 109 C PRO A 9 -2.865 8.721 -10.382 1.00 0.00 C ATOM 110 O PRO A 9 -2.914 8.976 -9.177 1.00 0.00 O ATOM 111 CB PRO A 9 -0.656 9.285 -11.422 1.00 0.00 C ATOM 112 CG PRO A 9 0.037 10.565 -11.726 1.00 0.00 C ATOM 113 CD PRO A 9 -0.764 11.647 -11.057 1.00 0.00 C ATOM 0 HA PRO A 9 -2.677 9.538 -12.297 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.311 8.862 -10.478 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.466 8.539 -12.194 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.061 10.551 -11.352 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.093 10.731 -12.802 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.343 11.915 -10.088 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.787 12.557 -11.657 1.00 0.00 H new ATOM 121 N THR A 10 -3.403 7.629 -10.915 1.00 0.00 N ATOM 122 CA THR A 10 -4.168 6.674 -10.120 1.00 0.00 C ATOM 123 C THR A 10 -3.242 5.618 -9.507 1.00 0.00 C ATOM 124 O THR A 10 -3.661 4.507 -9.173 1.00 0.00 O ATOM 125 CB THR A 10 -5.247 5.988 -10.984 1.00 0.00 C ATOM 126 OG1 THR A 10 -5.719 6.899 -11.989 1.00 0.00 O ATOM 127 CG2 THR A 10 -6.423 5.541 -10.130 1.00 0.00 C ATOM 0 H THR A 10 -3.323 7.382 -11.901 1.00 0.00 H new ATOM 0 HA THR A 10 -4.658 7.221 -9.315 1.00 0.00 H new ATOM 0 HB THR A 10 -4.798 5.113 -11.454 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.402 6.458 -12.536 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.170 5.061 -10.762 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.077 4.834 -9.376 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.866 6.407 -9.639 1.00 0.00 H new ATOM 135 N GLU A 11 -1.974 5.972 -9.391 1.00 0.00 N ATOM 136 CA GLU A 11 -0.983 5.120 -8.763 1.00 0.00 C ATOM 137 C GLU A 11 -0.144 5.948 -7.798 1.00 0.00 C ATOM 138 O GLU A 11 0.317 7.042 -8.143 1.00 0.00 O ATOM 139 CB GLU A 11 -0.096 4.485 -9.839 1.00 0.00 C ATOM 140 CG GLU A 11 1.060 3.666 -9.294 1.00 0.00 C ATOM 141 CD GLU A 11 1.923 3.084 -10.391 1.00 0.00 C ATOM 142 OE1 GLU A 11 2.596 3.867 -11.100 1.00 0.00 O ATOM 143 OE2 GLU A 11 1.942 1.848 -10.549 1.00 0.00 O ATOM 0 H GLU A 11 -1.603 6.860 -9.730 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.478 4.325 -8.206 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.713 3.846 -10.470 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.302 5.274 -10.477 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.673 4.294 -8.648 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.669 2.858 -8.676 1.00 0.00 H new ATOM 150 N PHE A 12 0.068 5.432 -6.598 1.00 0.00 N ATOM 151 CA PHE A 12 0.835 6.160 -5.602 1.00 0.00 C ATOM 152 C PHE A 12 1.857 5.261 -4.932 1.00 0.00 C ATOM 153 O PHE A 12 1.598 4.084 -4.668 1.00 0.00 O ATOM 154 CB PHE A 12 -0.080 6.811 -4.549 1.00 0.00 C ATOM 155 CG PHE A 12 -0.704 5.866 -3.550 1.00 0.00 C ATOM 156 CD1 PHE A 12 -1.851 5.155 -3.860 1.00 0.00 C ATOM 157 CD2 PHE A 12 -0.149 5.711 -2.286 1.00 0.00 C ATOM 158 CE1 PHE A 12 -2.434 4.308 -2.933 1.00 0.00 C ATOM 159 CE2 PHE A 12 -0.724 4.863 -1.357 1.00 0.00 C ATOM 160 CZ PHE A 12 -1.870 4.161 -1.680 1.00 0.00 C ATOM 0 H PHE A 12 -0.276 4.522 -6.293 1.00 0.00 H new ATOM 0 HA PHE A 12 1.367 6.955 -6.124 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.498 7.557 -4.004 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.879 7.342 -5.067 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.297 5.263 -4.838 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.744 6.260 -2.025 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.330 3.762 -3.189 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.278 4.749 -0.380 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.323 3.500 -0.956 1.00 0.00 H new ATOM 170 N ILE A 13 3.026 5.818 -4.677 1.00 0.00 N ATOM 171 CA ILE A 13 4.064 5.112 -3.960 1.00 0.00 C ATOM 172 C ILE A 13 4.075 5.564 -2.507 1.00 0.00 C ATOM 173 O ILE A 13 4.020 6.759 -2.214 1.00 0.00 O ATOM 174 CB ILE A 13 5.456 5.343 -4.592 1.00 0.00 C ATOM 175 CG1 ILE A 13 5.446 4.920 -6.065 1.00 0.00 C ATOM 176 CG2 ILE A 13 6.525 4.571 -3.825 1.00 0.00 C ATOM 177 CD1 ILE A 13 6.767 5.144 -6.771 1.00 0.00 C ATOM 0 H ILE A 13 3.279 6.765 -4.960 1.00 0.00 H new ATOM 0 HA ILE A 13 3.848 4.045 -4.017 1.00 0.00 H new ATOM 0 HB ILE A 13 5.691 6.406 -4.535 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.184 3.864 -6.129 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.666 5.474 -6.588 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.499 4.745 -4.283 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.546 4.910 -2.789 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.296 3.506 -3.854 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.684 4.822 -7.809 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.021 6.203 -6.739 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.548 4.568 -6.274 1.00 0.00 H new ATOM 189 N SER A 14 4.122 4.609 -1.606 1.00 0.00 N ATOM 190 CA SER A 14 4.132 4.910 -0.191 1.00 0.00 C ATOM 191 C SER A 14 5.152 4.044 0.522 1.00 0.00 C ATOM 192 O SER A 14 5.429 2.921 0.101 1.00 0.00 O ATOM 193 CB SER A 14 2.735 4.711 0.401 1.00 0.00 C ATOM 194 OG SER A 14 2.182 3.468 -0.001 1.00 0.00 O ATOM 0 H SER A 14 4.154 3.614 -1.828 1.00 0.00 H new ATOM 0 HA SER A 14 4.415 5.953 -0.052 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.788 4.754 1.489 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.082 5.523 0.081 1.00 0.00 H new ATOM 0 HG SER A 14 2.718 2.736 0.370 1.00 0.00 H new ATOM 200 N ARG A 15 5.726 4.568 1.588 1.00 0.00 N ATOM 201 CA ARG A 15 6.667 3.814 2.386 1.00 0.00 C ATOM 202 C ARG A 15 6.014 3.491 3.714 1.00 0.00 C ATOM 203 O ARG A 15 5.365 4.349 4.316 1.00 0.00 O ATOM 204 CB ARG A 15 7.973 4.591 2.610 1.00 0.00 C ATOM 205 CG ARG A 15 8.732 4.916 1.329 1.00 0.00 C ATOM 206 CD ARG A 15 8.232 6.203 0.685 1.00 0.00 C ATOM 207 NE ARG A 15 8.798 6.414 -0.651 1.00 0.00 N ATOM 208 CZ ARG A 15 9.193 7.601 -1.119 1.00 0.00 C ATOM 209 NH1 ARG A 15 9.210 8.663 -0.325 1.00 0.00 N ATOM 210 NH2 ARG A 15 9.607 7.714 -2.371 1.00 0.00 N ATOM 0 H ARG A 15 5.555 5.517 1.920 1.00 0.00 H new ATOM 0 HA ARG A 15 6.928 2.898 1.856 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.745 5.521 3.130 1.00 0.00 H new ATOM 0 HB3 ARG A 15 8.621 4.010 3.266 1.00 0.00 H new ATOM 0 HG2 ARG A 15 9.795 5.010 1.551 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.625 4.092 0.624 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.145 6.173 0.616 1.00 0.00 H new ATOM 0 HD3 ARG A 15 8.488 7.049 1.323 1.00 0.00 H new ATOM 0 HE ARG A 15 8.896 5.603 -1.262 1.00 0.00 H new ATOM 0 HH11 ARG A 15 8.920 8.576 0.649 1.00 0.00 H new ATOM 0 HH12 ARG A 15 9.513 9.567 -0.688 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.624 6.895 -2.978 1.00 0.00 H new ATOM 0 HH22 ARG A 15 9.909 8.620 -2.729 1.00 0.00 H new ATOM 224 N HIS A 16 6.147 2.257 4.156 1.00 0.00 N ATOM 225 CA HIS A 16 5.528 1.849 5.400 1.00 0.00 C ATOM 226 C HIS A 16 6.425 0.893 6.161 1.00 0.00 C ATOM 227 O HIS A 16 7.290 0.240 5.580 1.00 0.00 O ATOM 228 CB HIS A 16 4.136 1.225 5.158 1.00 0.00 C ATOM 229 CG HIS A 16 4.095 -0.060 4.377 1.00 0.00 C ATOM 230 ND1 HIS A 16 3.123 -0.325 3.436 1.00 0.00 N ATOM 231 CD2 HIS A 16 4.848 -1.184 4.453 1.00 0.00 C ATOM 232 CE1 HIS A 16 3.276 -1.551 2.978 1.00 0.00 C ATOM 233 NE2 HIS A 16 4.316 -2.094 3.576 1.00 0.00 N ATOM 0 H HIS A 16 6.673 1.526 3.678 1.00 0.00 H new ATOM 0 HA HIS A 16 5.388 2.742 6.009 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.670 1.048 6.127 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.521 1.959 4.637 1.00 0.00 H new ATOM 0 HD2 HIS A 16 5.709 -1.335 5.088 1.00 0.00 H new ATOM 0 HE1 HIS A 16 2.653 -2.030 2.237 1.00 0.00 H new ATOM 0 HE2 HIS A 16 4.668 -3.037 3.413 1.00 0.00 H new ATOM 242 N ASN A 17 6.198 0.797 7.456 1.00 0.00 N ATOM 243 CA ASN A 17 6.955 -0.113 8.289 1.00 0.00 C ATOM 244 C ASN A 17 6.463 -1.524 8.012 1.00 0.00 C ATOM 245 O ASN A 17 5.295 -1.703 7.654 1.00 0.00 O ATOM 246 CB ASN A 17 6.811 0.255 9.771 1.00 0.00 C ATOM 247 CG ASN A 17 7.771 -0.520 10.652 1.00 0.00 C ATOM 248 OD1 ASN A 17 8.943 -0.166 10.764 1.00 0.00 O ATOM 249 ND2 ASN A 17 7.282 -1.558 11.311 1.00 0.00 N ATOM 0 H ASN A 17 5.493 1.340 7.954 1.00 0.00 H new ATOM 0 HA ASN A 17 8.017 -0.045 8.054 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.988 1.323 9.897 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.788 0.061 10.094 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.883 -2.094 11.937 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.304 -1.822 11.193 1.00 0.00 H new ATOM 256 N ILE A 18 7.345 -2.506 8.196 1.00 0.00 N ATOM 257 CA ILE A 18 7.135 -3.881 7.718 1.00 0.00 C ATOM 258 C ILE A 18 5.778 -4.478 8.099 1.00 0.00 C ATOM 259 O ILE A 18 5.266 -5.347 7.399 1.00 0.00 O ATOM 260 CB ILE A 18 8.260 -4.816 8.209 1.00 0.00 C ATOM 261 CG1 ILE A 18 8.408 -4.741 9.732 1.00 0.00 C ATOM 262 CG2 ILE A 18 9.572 -4.465 7.522 1.00 0.00 C ATOM 263 CD1 ILE A 18 9.503 -5.633 10.281 1.00 0.00 C ATOM 0 H ILE A 18 8.231 -2.374 8.683 1.00 0.00 H new ATOM 0 HA ILE A 18 7.153 -3.807 6.631 1.00 0.00 H new ATOM 0 HB ILE A 18 7.994 -5.841 7.949 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.614 -3.710 10.018 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.460 -5.017 10.195 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.358 -5.132 7.877 1.00 0.00 H new ATOM 0 HG22 ILE A 18 9.460 -4.578 6.444 1.00 0.00 H new ATOM 0 HG23 ILE A 18 9.839 -3.434 7.753 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.549 -5.527 11.365 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.289 -6.671 10.026 1.00 0.00 H new ATOM 0 HD13 ILE A 18 10.460 -5.343 9.847 1.00 0.00 H new ATOM 275 N GLU A 19 5.197 -4.005 9.190 1.00 0.00 N ATOM 276 CA GLU A 19 3.906 -4.506 9.653 1.00 0.00 C ATOM 277 C GLU A 19 2.754 -3.999 8.787 1.00 0.00 C ATOM 278 O GLU A 19 1.625 -4.474 8.904 1.00 0.00 O ATOM 279 CB GLU A 19 3.698 -4.100 11.107 1.00 0.00 C ATOM 280 CG GLU A 19 4.741 -4.702 12.024 1.00 0.00 C ATOM 281 CD GLU A 19 4.677 -4.170 13.436 1.00 0.00 C ATOM 282 OE1 GLU A 19 3.782 -4.588 14.195 1.00 0.00 O ATOM 283 OE2 GLU A 19 5.537 -3.340 13.797 1.00 0.00 O ATOM 0 H GLU A 19 5.598 -3.272 9.775 1.00 0.00 H new ATOM 0 HA GLU A 19 3.913 -5.593 9.572 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.730 -3.013 11.187 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.706 -4.414 11.432 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.614 -5.784 12.045 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.732 -4.505 11.614 1.00 0.00 H new ATOM 290 N GLY A 20 3.054 -3.049 7.910 1.00 0.00 N ATOM 291 CA GLY A 20 2.040 -2.477 7.046 1.00 0.00 C ATOM 292 C GLY A 20 1.651 -1.070 7.457 1.00 0.00 C ATOM 293 O GLY A 20 0.726 -0.486 6.893 1.00 0.00 O ATOM 0 H GLY A 20 3.989 -2.662 7.782 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.407 -2.463 6.020 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.155 -3.113 7.059 1.00 0.00 H new ATOM 297 N ILE A 21 2.378 -0.514 8.417 1.00 0.00 N ATOM 298 CA ILE A 21 2.026 0.783 8.995 1.00 0.00 C ATOM 299 C ILE A 21 2.598 1.915 8.156 1.00 0.00 C ATOM 300 O ILE A 21 3.813 2.024 8.008 1.00 0.00 O ATOM 301 CB ILE A 21 2.553 0.910 10.443 1.00 0.00 C ATOM 302 CG1 ILE A 21 1.921 -0.155 11.347 1.00 0.00 C ATOM 303 CG2 ILE A 21 2.289 2.308 10.992 1.00 0.00 C ATOM 304 CD1 ILE A 21 0.442 0.052 11.601 1.00 0.00 C ATOM 0 H ILE A 21 3.216 -0.938 8.814 1.00 0.00 H new ATOM 0 HA ILE A 21 0.938 0.851 9.007 1.00 0.00 H new ATOM 0 HB ILE A 21 3.631 0.747 10.428 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.068 -1.135 10.894 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.446 -0.164 12.302 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.668 2.376 12.012 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.794 3.045 10.368 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.217 2.503 10.989 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.069 -0.742 12.248 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.287 1.017 12.084 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.096 0.030 10.654 1.00 0.00 H new ATOM 316 N PHE A 22 1.727 2.758 7.611 1.00 0.00 N ATOM 317 CA PHE A 22 2.161 3.839 6.730 1.00 0.00 C ATOM 318 C PHE A 22 2.968 4.884 7.488 1.00 0.00 C ATOM 319 O PHE A 22 2.500 5.450 8.476 1.00 0.00 O ATOM 320 CB PHE A 22 0.968 4.510 6.054 1.00 0.00 C ATOM 321 CG PHE A 22 0.262 3.639 5.057 1.00 0.00 C ATOM 322 CD1 PHE A 22 0.792 3.441 3.791 1.00 0.00 C ATOM 323 CD2 PHE A 22 -0.937 3.025 5.382 1.00 0.00 C ATOM 324 CE1 PHE A 22 0.140 2.647 2.869 1.00 0.00 C ATOM 325 CE2 PHE A 22 -1.594 2.232 4.463 1.00 0.00 C ATOM 326 CZ PHE A 22 -1.055 2.042 3.205 1.00 0.00 C ATOM 0 H PHE A 22 0.719 2.715 7.763 1.00 0.00 H new ATOM 0 HA PHE A 22 2.797 3.392 5.966 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.256 4.819 6.820 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.310 5.415 5.552 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.726 3.913 3.523 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.362 3.168 6.365 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.564 2.499 1.887 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.529 1.760 4.727 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.568 1.421 2.485 1.00 0.00 H new ATOM 336 N THR A 23 4.180 5.131 7.014 1.00 0.00 N ATOM 337 CA THR A 23 5.056 6.112 7.623 1.00 0.00 C ATOM 338 C THR A 23 5.171 7.357 6.744 1.00 0.00 C ATOM 339 O THR A 23 5.318 8.472 7.247 1.00 0.00 O ATOM 340 CB THR A 23 6.450 5.515 7.888 1.00 0.00 C ATOM 341 OG1 THR A 23 6.925 4.835 6.719 1.00 0.00 O ATOM 342 CG2 THR A 23 6.405 4.544 9.058 1.00 0.00 C ATOM 0 H THR A 23 4.579 4.659 6.202 1.00 0.00 H new ATOM 0 HA THR A 23 4.619 6.402 8.579 1.00 0.00 H new ATOM 0 HB THR A 23 7.130 6.331 8.134 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.813 4.460 6.897 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.400 4.133 9.229 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.070 5.068 9.953 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.712 3.734 8.832 1.00 0.00 H new ATOM 350 N PHE A 24 5.091 7.161 5.429 1.00 0.00 N ATOM 351 CA PHE A 24 5.063 8.275 4.487 1.00 0.00 C ATOM 352 C PHE A 24 4.278 7.899 3.233 1.00 0.00 C ATOM 353 O PHE A 24 4.484 6.830 2.658 1.00 0.00 O ATOM 354 CB PHE A 24 6.480 8.711 4.101 1.00 0.00 C ATOM 355 CG PHE A 24 6.493 9.823 3.091 1.00 0.00 C ATOM 356 CD1 PHE A 24 6.201 11.123 3.470 1.00 0.00 C ATOM 357 CD2 PHE A 24 6.775 9.566 1.757 1.00 0.00 C ATOM 358 CE1 PHE A 24 6.193 12.144 2.541 1.00 0.00 C ATOM 359 CE2 PHE A 24 6.766 10.583 0.824 1.00 0.00 C ATOM 360 CZ PHE A 24 6.474 11.874 1.217 1.00 0.00 C ATOM 0 H PHE A 24 5.044 6.240 4.993 1.00 0.00 H new ATOM 0 HA PHE A 24 4.567 9.111 4.980 1.00 0.00 H new ATOM 0 HB2 PHE A 24 7.012 9.033 4.996 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.022 7.855 3.699 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.977 11.340 4.504 1.00 0.00 H new ATOM 0 HD2 PHE A 24 7.004 8.558 1.445 1.00 0.00 H new ATOM 0 HE1 PHE A 24 5.967 13.154 2.850 1.00 0.00 H new ATOM 0 HE2 PHE A 24 6.987 10.369 -0.211 1.00 0.00 H new ATOM 0 HZ PHE A 24 6.465 12.672 0.489 1.00 0.00 H new ATOM 370 N VAL A 25 3.387 8.785 2.813 1.00 0.00 N ATOM 371 CA VAL A 25 2.557 8.547 1.638 1.00 0.00 C ATOM 372 C VAL A 25 2.619 9.736 0.686 1.00 0.00 C ATOM 373 O VAL A 25 2.603 10.889 1.117 1.00 0.00 O ATOM 374 CB VAL A 25 1.084 8.296 2.032 1.00 0.00 C ATOM 375 CG1 VAL A 25 0.212 8.120 0.797 1.00 0.00 C ATOM 376 CG2 VAL A 25 0.969 7.081 2.940 1.00 0.00 C ATOM 0 H VAL A 25 3.219 9.681 3.271 1.00 0.00 H new ATOM 0 HA VAL A 25 2.948 7.659 1.142 1.00 0.00 H new ATOM 0 HB VAL A 25 0.730 9.170 2.578 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.820 7.945 1.102 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.261 9.021 0.185 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.569 7.268 0.218 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.076 6.923 3.205 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.349 6.201 2.421 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.552 7.247 3.846 1.00 0.00 H new ATOM 386 N ASP A 26 2.703 9.449 -0.607 1.00 0.00 N ATOM 387 CA ASP A 26 2.677 10.479 -1.637 1.00 0.00 C ATOM 388 C ASP A 26 1.242 10.950 -1.880 1.00 0.00 C ATOM 389 O ASP A 26 0.290 10.185 -1.729 1.00 0.00 O ATOM 390 CB ASP A 26 3.275 9.917 -2.928 1.00 0.00 C ATOM 391 CG ASP A 26 3.461 10.972 -3.996 1.00 0.00 C ATOM 392 OD1 ASP A 26 2.476 11.308 -4.688 1.00 0.00 O ATOM 393 OD2 ASP A 26 4.594 11.473 -4.149 1.00 0.00 O ATOM 0 H ASP A 26 2.791 8.500 -0.970 1.00 0.00 H new ATOM 0 HA ASP A 26 3.267 11.334 -1.307 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.238 9.457 -2.707 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.626 9.129 -3.311 1.00 0.00 H new ATOM 398 N HIS A 27 1.111 12.224 -2.254 1.00 0.00 N ATOM 399 CA HIS A 27 -0.190 12.891 -2.398 1.00 0.00 C ATOM 400 C HIS A 27 -1.117 12.173 -3.370 1.00 0.00 C ATOM 401 O HIS A 27 -2.333 12.361 -3.312 1.00 0.00 O ATOM 402 CB HIS A 27 0.002 14.326 -2.881 1.00 0.00 C ATOM 403 CG HIS A 27 0.773 15.210 -1.948 1.00 0.00 C ATOM 404 ND1 HIS A 27 2.100 15.513 -2.133 1.00 0.00 N ATOM 405 CD2 HIS A 27 0.387 15.884 -0.843 1.00 0.00 C ATOM 406 CE1 HIS A 27 2.498 16.336 -1.185 1.00 0.00 C ATOM 407 NE2 HIS A 27 1.477 16.583 -0.385 1.00 0.00 N ATOM 0 H HIS A 27 1.906 12.827 -2.467 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.654 12.874 -1.412 1.00 0.00 H new ATOM 0 HB2 HIS A 27 0.514 14.304 -3.843 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -0.979 14.770 -3.052 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -0.598 15.875 -0.401 1.00 0.00 H new ATOM 0 HE1 HIS A 27 3.493 16.741 -1.080 1.00 0.00 H new ATOM 0 HE2 HIS A 27 1.495 17.190 0.434 1.00 0.00 H new ATOM 416 N ARG A 28 -0.546 11.352 -4.248 1.00 0.00 N ATOM 417 CA ARG A 28 -1.322 10.607 -5.244 1.00 0.00 C ATOM 418 C ARG A 28 -2.298 9.624 -4.583 1.00 0.00 C ATOM 419 O ARG A 28 -3.126 9.004 -5.256 1.00 0.00 O ATOM 420 CB ARG A 28 -0.376 9.859 -6.182 1.00 0.00 C ATOM 421 CG ARG A 28 0.460 10.770 -7.068 1.00 0.00 C ATOM 422 CD ARG A 28 1.677 10.036 -7.605 1.00 0.00 C ATOM 423 NE ARG A 28 2.437 10.828 -8.575 1.00 0.00 N ATOM 424 CZ ARG A 28 3.363 11.734 -8.254 1.00 0.00 C ATOM 425 NH1 ARG A 28 3.592 12.050 -6.989 1.00 0.00 N ATOM 426 NH2 ARG A 28 4.052 12.327 -9.215 1.00 0.00 N ATOM 0 H ARG A 28 0.459 11.183 -4.292 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.912 11.323 -5.815 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.291 9.235 -5.588 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.960 9.190 -6.814 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.146 11.133 -7.898 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.779 11.644 -6.500 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.328 9.766 -6.774 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.357 9.106 -8.074 1.00 0.00 H new ATOM 0 HE ARG A 28 2.245 10.676 -9.565 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.058 11.599 -6.246 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.303 12.744 -6.757 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.873 12.090 -10.191 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.762 13.021 -8.980 1.00 0.00 H new ATOM 440 N CYS A 29 -2.192 9.488 -3.265 1.00 0.00 N ATOM 441 CA CYS A 29 -3.095 8.644 -2.494 1.00 0.00 C ATOM 442 C CYS A 29 -4.545 9.087 -2.664 1.00 0.00 C ATOM 443 O CYS A 29 -5.457 8.258 -2.750 1.00 0.00 O ATOM 444 CB CYS A 29 -2.705 8.677 -1.017 1.00 0.00 C ATOM 445 SG CYS A 29 -3.664 7.555 0.019 1.00 0.00 S ATOM 0 H CYS A 29 -1.481 9.958 -2.705 1.00 0.00 H new ATOM 0 HA CYS A 29 -3.009 7.624 -2.867 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.648 8.426 -0.925 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.825 9.694 -0.642 1.00 0.00 H new ATOM 0 HG CYS A 29 -4.833 8.073 0.254 1.00 0.00 H new ATOM 451 N VAL A 30 -4.749 10.394 -2.746 1.00 0.00 N ATOM 452 CA VAL A 30 -6.091 10.946 -2.833 1.00 0.00 C ATOM 453 C VAL A 30 -6.754 10.560 -4.148 1.00 0.00 C ATOM 454 O VAL A 30 -7.951 10.292 -4.190 1.00 0.00 O ATOM 455 CB VAL A 30 -6.088 12.480 -2.679 1.00 0.00 C ATOM 456 CG1 VAL A 30 -5.432 12.864 -1.367 1.00 0.00 C ATOM 457 CG2 VAL A 30 -5.389 13.165 -3.846 1.00 0.00 C ATOM 0 H VAL A 30 -4.003 11.090 -2.754 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.664 10.522 -2.008 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.124 12.820 -2.678 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.433 13.949 -1.264 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.986 12.420 -0.540 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.405 12.499 -1.353 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.409 14.245 -3.699 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.355 12.825 -3.901 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.903 12.916 -4.775 1.00 0.00 H new ATOM 467 N ALA A 31 -5.961 10.494 -5.208 1.00 0.00 N ATOM 468 CA ALA A 31 -6.489 10.179 -6.526 1.00 0.00 C ATOM 469 C ALA A 31 -6.814 8.696 -6.628 1.00 0.00 C ATOM 470 O ALA A 31 -7.911 8.316 -7.039 1.00 0.00 O ATOM 471 CB ALA A 31 -5.497 10.585 -7.605 1.00 0.00 C ATOM 0 H ALA A 31 -4.954 10.654 -5.181 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.410 10.743 -6.675 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.907 10.343 -8.586 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.312 11.657 -7.544 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.561 10.046 -7.460 1.00 0.00 H new ATOM 477 N THR A 32 -5.846 7.870 -6.262 1.00 0.00 N ATOM 478 CA THR A 32 -6.000 6.420 -6.264 1.00 0.00 C ATOM 479 C THR A 32 -7.209 5.947 -5.450 1.00 0.00 C ATOM 480 O THR A 32 -8.006 5.147 -5.938 1.00 0.00 O ATOM 481 CB THR A 32 -4.726 5.761 -5.708 1.00 0.00 C ATOM 482 OG1 THR A 32 -3.570 6.396 -6.275 1.00 0.00 O ATOM 483 CG2 THR A 32 -4.695 4.279 -6.035 1.00 0.00 C ATOM 0 H THR A 32 -4.927 8.186 -5.954 1.00 0.00 H new ATOM 0 HA THR A 32 -6.168 6.122 -7.299 1.00 0.00 H new ATOM 0 HB THR A 32 -4.723 5.879 -4.624 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.373 7.219 -5.780 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.785 3.836 -5.631 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.563 3.791 -5.593 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.715 4.145 -7.116 1.00 0.00 H new ATOM 491 N VAL A 33 -7.360 6.434 -4.220 1.00 0.00 N ATOM 492 CA VAL A 33 -8.416 5.919 -3.352 1.00 0.00 C ATOM 493 C VAL A 33 -9.232 7.019 -2.676 1.00 0.00 C ATOM 494 O VAL A 33 -10.401 6.816 -2.365 1.00 0.00 O ATOM 495 CB VAL A 33 -7.861 4.960 -2.276 1.00 0.00 C ATOM 496 CG1 VAL A 33 -7.430 3.650 -2.910 1.00 0.00 C ATOM 497 CG2 VAL A 33 -6.704 5.597 -1.518 1.00 0.00 C ATOM 0 H VAL A 33 -6.780 7.166 -3.810 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.083 5.369 -4.016 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.656 4.755 -1.559 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.041 2.984 -2.140 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.286 3.182 -3.396 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.653 3.842 -3.650 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.333 4.899 -0.767 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.902 5.840 -2.215 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.048 6.508 -1.029 1.00 0.00 H new ATOM 507 N GLY A 34 -8.637 8.177 -2.446 1.00 0.00 N ATOM 508 CA GLY A 34 -9.361 9.228 -1.758 1.00 0.00 C ATOM 509 C GLY A 34 -8.741 9.594 -0.429 1.00 0.00 C ATOM 510 O GLY A 34 -8.990 10.680 0.097 1.00 0.00 O ATOM 0 H GLY A 34 -7.681 8.409 -2.717 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.397 10.113 -2.393 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.391 8.908 -1.598 1.00 0.00 H new ATOM 514 N TYR A 35 -7.946 8.689 0.126 1.00 0.00 N ATOM 515 CA TYR A 35 -7.275 8.954 1.389 1.00 0.00 C ATOM 516 C TYR A 35 -6.180 9.973 1.189 1.00 0.00 C ATOM 517 O TYR A 35 -5.453 9.930 0.200 1.00 0.00 O ATOM 518 CB TYR A 35 -6.653 7.688 1.991 1.00 0.00 C ATOM 519 CG TYR A 35 -7.643 6.671 2.503 1.00 0.00 C ATOM 520 CD1 TYR A 35 -8.809 7.067 3.138 1.00 0.00 C ATOM 521 CD2 TYR A 35 -7.397 5.312 2.368 1.00 0.00 C ATOM 522 CE1 TYR A 35 -9.708 6.141 3.623 1.00 0.00 C ATOM 523 CE2 TYR A 35 -8.288 4.377 2.850 1.00 0.00 C ATOM 524 CZ TYR A 35 -9.445 4.797 3.478 1.00 0.00 C ATOM 525 OH TYR A 35 -10.344 3.874 3.955 1.00 0.00 O ATOM 0 H TYR A 35 -7.752 7.772 -0.276 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.032 9.330 2.077 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.027 7.214 1.235 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.997 7.979 2.811 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -9.017 8.120 3.255 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.493 4.982 1.878 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -10.613 6.468 4.114 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.083 3.323 2.737 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.940 3.376 4.696 1.00 0.00 H new ATOM 535 N GLN A 36 -6.068 10.881 2.124 1.00 0.00 N ATOM 536 CA GLN A 36 -4.951 11.794 2.141 1.00 0.00 C ATOM 537 C GLN A 36 -3.744 11.066 2.702 1.00 0.00 C ATOM 538 O GLN A 36 -3.911 10.175 3.536 1.00 0.00 O ATOM 539 CB GLN A 36 -5.261 13.024 3.006 1.00 0.00 C ATOM 540 CG GLN A 36 -6.366 13.913 2.461 1.00 0.00 C ATOM 541 CD GLN A 36 -5.888 14.806 1.332 1.00 0.00 C ATOM 542 OE1 GLN A 36 -4.711 15.173 1.273 1.00 0.00 O ATOM 543 NE2 GLN A 36 -6.791 15.168 0.435 1.00 0.00 N ATOM 0 H GLN A 36 -6.736 11.009 2.884 1.00 0.00 H new ATOM 0 HA GLN A 36 -4.752 12.137 1.126 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.540 12.689 4.005 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.353 13.617 3.111 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.187 13.290 2.105 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.761 14.531 3.267 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.754 14.842 0.520 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.524 15.773 -0.342 1.00 0.00 H new ATOM 552 N PRO A 37 -2.525 11.404 2.258 1.00 0.00 N ATOM 553 CA PRO A 37 -1.304 10.790 2.787 1.00 0.00 C ATOM 554 C PRO A 37 -1.324 10.743 4.312 1.00 0.00 C ATOM 555 O PRO A 37 -1.044 9.714 4.930 1.00 0.00 O ATOM 556 CB PRO A 37 -0.207 11.735 2.299 1.00 0.00 C ATOM 557 CG PRO A 37 -0.744 12.320 1.039 1.00 0.00 C ATOM 558 CD PRO A 37 -2.239 12.397 1.208 1.00 0.00 C ATOM 0 HA PRO A 37 -1.173 9.759 2.460 1.00 0.00 H new ATOM 0 HB2 PRO A 37 0.005 12.509 3.036 1.00 0.00 H new ATOM 0 HB3 PRO A 37 0.726 11.200 2.121 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.322 13.309 0.860 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.482 11.701 0.181 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.557 13.396 1.505 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.759 12.159 0.280 1.00 0.00 H new ATOM 566 N GLN A 38 -1.728 11.865 4.891 1.00 0.00 N ATOM 567 CA GLN A 38 -1.788 12.033 6.334 1.00 0.00 C ATOM 568 C GLN A 38 -2.714 11.002 6.981 1.00 0.00 C ATOM 569 O GLN A 38 -2.407 10.466 8.042 1.00 0.00 O ATOM 570 CB GLN A 38 -2.280 13.444 6.663 1.00 0.00 C ATOM 571 CG GLN A 38 -1.464 14.549 6.008 1.00 0.00 C ATOM 572 CD GLN A 38 -0.022 14.571 6.471 1.00 0.00 C ATOM 573 OE1 GLN A 38 0.308 15.207 7.467 1.00 0.00 O ATOM 574 NE2 GLN A 38 0.853 13.899 5.738 1.00 0.00 N ATOM 0 H GLN A 38 -2.025 12.689 4.368 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.786 11.883 6.735 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.320 13.538 6.349 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.260 13.583 7.744 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.491 14.421 4.926 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.925 15.512 6.226 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.540 13.382 4.917 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.840 13.899 5.995 1.00 0.00 H new ATOM 583 N GLU A 39 -3.828 10.703 6.314 1.00 0.00 N ATOM 584 CA GLU A 39 -4.855 9.841 6.887 1.00 0.00 C ATOM 585 C GLU A 39 -4.348 8.415 7.033 1.00 0.00 C ATOM 586 O GLU A 39 -4.804 7.667 7.898 1.00 0.00 O ATOM 587 CB GLU A 39 -6.122 9.857 6.029 1.00 0.00 C ATOM 588 CG GLU A 39 -6.709 11.244 5.845 1.00 0.00 C ATOM 589 CD GLU A 39 -8.061 11.222 5.169 1.00 0.00 C ATOM 590 OE1 GLU A 39 -8.123 10.993 3.944 1.00 0.00 O ATOM 591 OE2 GLU A 39 -9.075 11.444 5.868 1.00 0.00 O ATOM 0 H GLU A 39 -4.040 11.046 5.377 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.097 10.229 7.876 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.894 9.434 5.050 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.871 9.212 6.488 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.802 11.726 6.818 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.022 11.849 5.254 1.00 0.00 H new ATOM 598 N LEU A 40 -3.400 8.047 6.187 1.00 0.00 N ATOM 599 CA LEU A 40 -2.810 6.723 6.246 1.00 0.00 C ATOM 600 C LEU A 40 -1.767 6.645 7.349 1.00 0.00 C ATOM 601 O LEU A 40 -1.587 5.597 7.971 1.00 0.00 O ATOM 602 CB LEU A 40 -2.176 6.363 4.904 1.00 0.00 C ATOM 603 CG LEU A 40 -3.157 6.145 3.753 1.00 0.00 C ATOM 604 CD1 LEU A 40 -2.415 5.690 2.509 1.00 0.00 C ATOM 605 CD2 LEU A 40 -4.219 5.128 4.137 1.00 0.00 C ATOM 0 H LEU A 40 -3.024 8.647 5.453 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.603 6.009 6.467 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.484 7.157 4.624 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.585 5.456 5.032 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.652 7.092 3.539 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.126 5.538 1.697 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.690 6.450 2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.896 4.754 2.717 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.907 4.988 3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.743 4.178 4.378 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.770 5.488 5.006 1.00 0.00 H new ATOM 617 N LEU A 41 -1.088 7.762 7.592 1.00 0.00 N ATOM 618 CA LEU A 41 -0.016 7.806 8.580 1.00 0.00 C ATOM 619 C LEU A 41 -0.568 7.558 9.978 1.00 0.00 C ATOM 620 O LEU A 41 -1.263 8.402 10.548 1.00 0.00 O ATOM 621 CB LEU A 41 0.712 9.152 8.533 1.00 0.00 C ATOM 622 CG LEU A 41 1.140 9.619 7.140 1.00 0.00 C ATOM 623 CD1 LEU A 41 1.918 10.922 7.227 1.00 0.00 C ATOM 624 CD2 LEU A 41 1.964 8.548 6.442 1.00 0.00 C ATOM 0 H LEU A 41 -1.261 8.648 7.118 1.00 0.00 H new ATOM 0 HA LEU A 41 0.698 7.018 8.339 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.063 9.912 8.969 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.598 9.089 9.165 1.00 0.00 H new ATOM 0 HG LEU A 41 0.241 9.796 6.549 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.213 11.237 6.226 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.291 11.691 7.679 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.808 10.774 7.838 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.257 8.901 5.453 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.856 8.334 7.031 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.370 7.640 6.341 1.00 0.00 H new ATOM 636 N GLY A 42 -0.263 6.390 10.514 1.00 0.00 N ATOM 637 CA GLY A 42 -0.768 6.018 11.817 1.00 0.00 C ATOM 638 C GLY A 42 -1.566 4.735 11.761 1.00 0.00 C ATOM 639 O GLY A 42 -1.725 4.048 12.770 1.00 0.00 O ATOM 0 H GLY A 42 0.328 5.689 10.068 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.065 5.899 12.510 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.395 6.820 12.207 1.00 0.00 H new ATOM 643 N LYS A 43 -2.080 4.413 10.583 1.00 0.00 N ATOM 644 CA LYS A 43 -2.829 3.191 10.389 1.00 0.00 C ATOM 645 C LYS A 43 -2.053 2.188 9.557 1.00 0.00 C ATOM 646 O LYS A 43 -0.945 2.455 9.088 1.00 0.00 O ATOM 647 CB LYS A 43 -4.157 3.488 9.712 1.00 0.00 C ATOM 648 CG LYS A 43 -5.100 4.281 10.583 1.00 0.00 C ATOM 649 CD LYS A 43 -6.498 4.300 10.003 1.00 0.00 C ATOM 650 CE LYS A 43 -7.483 4.920 10.966 1.00 0.00 C ATOM 651 NZ LYS A 43 -7.848 3.997 12.072 1.00 0.00 N ATOM 0 H LYS A 43 -1.988 4.988 9.746 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.007 2.757 11.373 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.973 4.039 8.790 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.634 2.549 9.432 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.125 3.849 11.583 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.732 5.302 10.686 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.499 4.860 9.068 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.809 3.283 9.765 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.055 5.832 11.383 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.384 5.209 10.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.600 4.426 12.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.186 3.097 11.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.013 3.821 12.667 1.00 0.00 H new ATOM 665 N ASN A 44 -2.665 1.033 9.380 1.00 0.00 N ATOM 666 CA ASN A 44 -2.066 -0.058 8.629 1.00 0.00 C ATOM 667 C ASN A 44 -2.826 -0.256 7.324 1.00 0.00 C ATOM 668 O ASN A 44 -4.038 -0.053 7.268 1.00 0.00 O ATOM 669 CB ASN A 44 -2.112 -1.343 9.473 1.00 0.00 C ATOM 670 CG ASN A 44 -1.198 -2.443 8.955 1.00 0.00 C ATOM 671 OD1 ASN A 44 -1.087 -2.664 7.751 1.00 0.00 O ATOM 672 ND2 ASN A 44 -0.511 -3.126 9.860 1.00 0.00 N ATOM 0 H ASN A 44 -3.591 0.823 9.752 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.027 0.179 8.399 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -1.834 -1.104 10.499 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.136 -1.715 9.499 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.133 -3.860 9.564 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.626 -2.918 10.852 1.00 0.00 H new ATOM 679 N ILE A 45 -2.106 -0.640 6.278 1.00 0.00 N ATOM 680 CA ILE A 45 -2.714 -0.948 4.987 1.00 0.00 C ATOM 681 C ILE A 45 -3.683 -2.124 5.124 1.00 0.00 C ATOM 682 O ILE A 45 -4.626 -2.257 4.348 1.00 0.00 O ATOM 683 CB ILE A 45 -1.632 -1.270 3.924 1.00 0.00 C ATOM 684 CG1 ILE A 45 -2.274 -1.524 2.554 1.00 0.00 C ATOM 685 CG2 ILE A 45 -0.789 -2.465 4.349 1.00 0.00 C ATOM 686 CD1 ILE A 45 -1.270 -1.755 1.442 1.00 0.00 C ATOM 0 H ILE A 45 -1.092 -0.747 6.298 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.266 -0.069 4.656 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.976 -0.404 3.840 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.929 -2.392 2.625 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.901 -0.672 2.293 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.038 -2.670 3.586 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.295 -2.244 5.295 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.430 -3.338 4.470 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.799 -1.927 0.505 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.630 -0.878 1.342 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.658 -2.626 1.679 1.00 0.00 H new ATOM 698 N VAL A 46 -3.457 -2.953 6.141 1.00 0.00 N ATOM 699 CA VAL A 46 -4.326 -4.086 6.420 1.00 0.00 C ATOM 700 C VAL A 46 -5.669 -3.606 6.982 1.00 0.00 C ATOM 701 O VAL A 46 -6.696 -4.267 6.820 1.00 0.00 O ATOM 702 CB VAL A 46 -3.655 -5.067 7.409 1.00 0.00 C ATOM 703 CG1 VAL A 46 -4.570 -6.240 7.739 1.00 0.00 C ATOM 704 CG2 VAL A 46 -2.335 -5.570 6.842 1.00 0.00 C ATOM 0 H VAL A 46 -2.674 -2.857 6.787 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.505 -4.613 5.482 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.460 -4.525 8.335 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.066 -6.909 8.436 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.489 -5.868 8.192 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.810 -6.783 6.825 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.874 -6.260 7.549 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.517 -6.085 5.899 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.667 -4.726 6.671 1.00 0.00 H new ATOM 714 N GLU A 47 -5.660 -2.430 7.610 1.00 0.00 N ATOM 715 CA GLU A 47 -6.883 -1.829 8.138 1.00 0.00 C ATOM 716 C GLU A 47 -7.854 -1.528 7.005 1.00 0.00 C ATOM 717 O GLU A 47 -9.072 -1.634 7.160 1.00 0.00 O ATOM 718 CB GLU A 47 -6.570 -0.530 8.883 1.00 0.00 C ATOM 719 CG GLU A 47 -5.770 -0.729 10.155 1.00 0.00 C ATOM 720 CD GLU A 47 -6.538 -1.493 11.205 1.00 0.00 C ATOM 721 OE1 GLU A 47 -7.630 -1.030 11.602 1.00 0.00 O ATOM 722 OE2 GLU A 47 -6.060 -2.563 11.634 1.00 0.00 O ATOM 0 H GLU A 47 -4.818 -1.875 7.765 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.334 -2.540 8.830 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.018 0.135 8.218 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.506 -0.029 9.129 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.849 -1.264 9.922 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.482 0.243 10.555 1.00 0.00 H new ATOM 729 N PHE A 48 -7.296 -1.145 5.868 1.00 0.00 N ATOM 730 CA PHE A 48 -8.092 -0.806 4.700 1.00 0.00 C ATOM 731 C PHE A 48 -8.005 -1.909 3.665 1.00 0.00 C ATOM 732 O PHE A 48 -8.417 -1.738 2.517 1.00 0.00 O ATOM 733 CB PHE A 48 -7.628 0.517 4.104 1.00 0.00 C ATOM 734 CG PHE A 48 -7.636 1.641 5.094 1.00 0.00 C ATOM 735 CD1 PHE A 48 -8.797 1.978 5.771 1.00 0.00 C ATOM 736 CD2 PHE A 48 -6.480 2.355 5.353 1.00 0.00 C ATOM 737 CE1 PHE A 48 -8.803 3.007 6.689 1.00 0.00 C ATOM 738 CE2 PHE A 48 -6.481 3.388 6.271 1.00 0.00 C ATOM 739 CZ PHE A 48 -7.644 3.713 6.936 1.00 0.00 C ATOM 0 H PHE A 48 -6.289 -1.061 5.729 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.132 -0.700 5.010 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.620 0.397 3.708 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.272 0.776 3.264 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -9.707 1.429 5.578 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.568 2.103 4.833 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -9.713 3.259 7.213 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.573 3.939 6.467 1.00 0.00 H new ATOM 0 HZ PHE A 48 -7.648 4.522 7.652 1.00 0.00 H new ATOM 749 N CYS A 49 -7.455 -3.037 4.079 1.00 0.00 N ATOM 750 CA CYS A 49 -7.380 -4.203 3.223 1.00 0.00 C ATOM 751 C CYS A 49 -8.650 -5.021 3.356 1.00 0.00 C ATOM 752 O CYS A 49 -9.134 -5.253 4.467 1.00 0.00 O ATOM 753 CB CYS A 49 -6.169 -5.058 3.594 1.00 0.00 C ATOM 754 SG CYS A 49 -6.012 -6.575 2.623 1.00 0.00 S ATOM 0 H CYS A 49 -7.053 -3.168 5.007 1.00 0.00 H new ATOM 0 HA CYS A 49 -7.271 -3.873 2.190 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.265 -4.463 3.467 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.232 -5.320 4.650 1.00 0.00 H new ATOM 0 HG CYS A 49 -5.823 -6.272 1.373 1.00 0.00 H new ATOM 760 N HIS A 50 -9.209 -5.403 2.213 1.00 0.00 N ATOM 761 CA HIS A 50 -10.363 -6.292 2.163 1.00 0.00 C ATOM 762 C HIS A 50 -10.153 -7.464 3.119 1.00 0.00 C ATOM 763 O HIS A 50 -9.135 -8.139 3.059 1.00 0.00 O ATOM 764 CB HIS A 50 -10.551 -6.784 0.723 1.00 0.00 C ATOM 765 CG HIS A 50 -11.787 -7.596 0.497 1.00 0.00 C ATOM 766 ND1 HIS A 50 -11.756 -8.917 0.114 1.00 0.00 N ATOM 767 CD2 HIS A 50 -13.095 -7.263 0.583 1.00 0.00 C ATOM 768 CE1 HIS A 50 -12.989 -9.364 -0.024 1.00 0.00 C ATOM 769 NE2 HIS A 50 -13.821 -8.379 0.253 1.00 0.00 N ATOM 0 H HIS A 50 -8.875 -5.105 1.296 1.00 0.00 H new ATOM 0 HA HIS A 50 -11.262 -5.759 2.474 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -10.573 -5.920 0.058 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -9.684 -7.381 0.441 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -10.910 -9.466 -0.040 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -13.494 -6.298 0.860 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -13.270 -10.366 -0.314 1.00 0.00 H new ATOM 778 N PRO A 51 -11.117 -7.686 4.034 1.00 0.00 N ATOM 779 CA PRO A 51 -10.992 -8.649 5.144 1.00 0.00 C ATOM 780 C PRO A 51 -10.522 -10.038 4.721 1.00 0.00 C ATOM 781 O PRO A 51 -9.864 -10.733 5.492 1.00 0.00 O ATOM 782 CB PRO A 51 -12.411 -8.723 5.705 1.00 0.00 C ATOM 783 CG PRO A 51 -13.002 -7.396 5.393 1.00 0.00 C ATOM 784 CD PRO A 51 -12.414 -6.982 4.073 1.00 0.00 C ATOM 0 HA PRO A 51 -10.234 -8.321 5.855 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.980 -9.530 5.242 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -12.404 -8.913 6.778 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -14.089 -7.457 5.334 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -12.765 -6.670 6.171 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.054 -7.274 3.240 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.285 -5.901 4.013 1.00 0.00 H new ATOM 792 N GLU A 52 -10.849 -10.438 3.504 1.00 0.00 N ATOM 793 CA GLU A 52 -10.473 -11.756 3.008 1.00 0.00 C ATOM 794 C GLU A 52 -9.115 -11.719 2.315 1.00 0.00 C ATOM 795 O GLU A 52 -8.572 -12.752 1.930 1.00 0.00 O ATOM 796 CB GLU A 52 -11.537 -12.282 2.051 1.00 0.00 C ATOM 797 CG GLU A 52 -12.904 -12.441 2.692 1.00 0.00 C ATOM 798 CD GLU A 52 -12.864 -13.316 3.927 1.00 0.00 C ATOM 799 OE1 GLU A 52 -12.814 -14.553 3.782 1.00 0.00 O ATOM 800 OE2 GLU A 52 -12.873 -12.771 5.050 1.00 0.00 O ATOM 0 H GLU A 52 -11.374 -9.870 2.839 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.398 -12.428 3.863 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.619 -11.602 1.203 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -11.215 -13.246 1.657 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.294 -11.459 2.959 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -13.594 -12.872 1.967 1.00 0.00 H new ATOM 807 N ASP A 53 -8.564 -10.521 2.175 1.00 0.00 N ATOM 808 CA ASP A 53 -7.320 -10.317 1.444 1.00 0.00 C ATOM 809 C ASP A 53 -6.207 -10.015 2.435 1.00 0.00 C ATOM 810 O ASP A 53 -5.037 -9.910 2.067 1.00 0.00 O ATOM 811 CB ASP A 53 -7.441 -9.135 0.468 1.00 0.00 C ATOM 812 CG ASP A 53 -8.566 -9.264 -0.549 1.00 0.00 C ATOM 813 OD1 ASP A 53 -9.461 -10.122 -0.372 1.00 0.00 O ATOM 814 OD2 ASP A 53 -8.586 -8.473 -1.512 1.00 0.00 O ATOM 0 H ASP A 53 -8.964 -9.667 2.563 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.101 -11.222 0.877 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.592 -8.221 1.042 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.497 -9.024 -0.066 1.00 0.00 H new ATOM 819 N GLN A 54 -6.590 -9.879 3.701 1.00 0.00 N ATOM 820 CA GLN A 54 -5.660 -9.494 4.759 1.00 0.00 C ATOM 821 C GLN A 54 -4.540 -10.513 4.911 1.00 0.00 C ATOM 822 O GLN A 54 -3.377 -10.147 5.062 1.00 0.00 O ATOM 823 CB GLN A 54 -6.401 -9.324 6.088 1.00 0.00 C ATOM 824 CG GLN A 54 -7.391 -8.170 6.087 1.00 0.00 C ATOM 825 CD GLN A 54 -8.117 -8.013 7.409 1.00 0.00 C ATOM 826 OE1 GLN A 54 -8.358 -8.989 8.124 1.00 0.00 O ATOM 827 NE2 GLN A 54 -8.461 -6.781 7.745 1.00 0.00 N ATOM 0 H GLN A 54 -7.546 -10.031 4.022 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.214 -8.540 4.477 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.932 -10.247 6.320 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.673 -9.167 6.884 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.862 -7.245 5.857 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.122 -8.326 5.293 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.242 -6.003 7.123 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.946 -6.609 8.626 1.00 0.00 H new ATOM 836 N GLN A 55 -4.888 -11.794 4.862 1.00 0.00 N ATOM 837 CA GLN A 55 -3.892 -12.854 4.949 1.00 0.00 C ATOM 838 C GLN A 55 -3.019 -12.838 3.699 1.00 0.00 C ATOM 839 O GLN A 55 -1.821 -13.086 3.768 1.00 0.00 O ATOM 840 CB GLN A 55 -4.570 -14.216 5.089 1.00 0.00 C ATOM 841 CG GLN A 55 -3.860 -15.189 6.028 1.00 0.00 C ATOM 842 CD GLN A 55 -2.443 -15.529 5.600 1.00 0.00 C ATOM 843 OE1 GLN A 55 -2.227 -16.456 4.821 1.00 0.00 O ATOM 844 NE2 GLN A 55 -1.468 -14.811 6.137 1.00 0.00 N ATOM 0 H GLN A 55 -5.849 -12.122 4.763 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.272 -12.683 5.829 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.588 -14.065 5.447 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.644 -14.673 4.102 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.834 -14.760 7.029 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.441 -16.109 6.091 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.689 -14.050 6.779 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.496 -15.019 5.908 1.00 0.00 H new ATOM 853 N LEU A 56 -3.633 -12.527 2.563 1.00 0.00 N ATOM 854 CA LEU A 56 -2.915 -12.439 1.301 1.00 0.00 C ATOM 855 C LEU A 56 -1.826 -11.377 1.389 1.00 0.00 C ATOM 856 O LEU A 56 -0.664 -11.645 1.097 1.00 0.00 O ATOM 857 CB LEU A 56 -3.888 -12.129 0.158 1.00 0.00 C ATOM 858 CG LEU A 56 -3.254 -11.983 -1.227 1.00 0.00 C ATOM 859 CD1 LEU A 56 -2.549 -13.267 -1.636 1.00 0.00 C ATOM 860 CD2 LEU A 56 -4.312 -11.607 -2.251 1.00 0.00 C ATOM 0 H LEU A 56 -4.632 -12.331 2.492 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.442 -13.399 1.095 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.634 -12.922 0.115 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.417 -11.206 0.395 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.510 -11.187 -1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.106 -13.140 -2.624 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.766 -13.498 -0.914 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.269 -14.085 -1.664 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.849 -11.506 -3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.075 -12.385 -2.288 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.772 -10.660 -1.968 1.00 0.00 H new ATOM 872 N LEU A 57 -2.204 -10.182 1.821 1.00 0.00 N ATOM 873 CA LEU A 57 -1.236 -9.112 2.033 1.00 0.00 C ATOM 874 C LEU A 57 -0.231 -9.494 3.106 1.00 0.00 C ATOM 875 O LEU A 57 0.966 -9.294 2.930 1.00 0.00 O ATOM 876 CB LEU A 57 -1.922 -7.802 2.421 1.00 0.00 C ATOM 877 CG LEU A 57 -2.443 -6.960 1.259 1.00 0.00 C ATOM 878 CD1 LEU A 57 -2.948 -5.624 1.769 1.00 0.00 C ATOM 879 CD2 LEU A 57 -1.352 -6.745 0.227 1.00 0.00 C ATOM 0 H LEU A 57 -3.169 -9.928 2.031 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.713 -8.963 1.088 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.757 -8.032 3.082 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.218 -7.200 2.995 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.267 -7.494 0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.317 -5.031 0.932 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.756 -5.789 2.482 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.134 -5.091 2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.741 -6.143 -0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.511 -6.228 0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.019 -7.709 -0.157 1.00 0.00 H new ATOM 891 N ARG A 58 -0.717 -10.060 4.203 1.00 0.00 N ATOM 892 CA ARG A 58 0.148 -10.443 5.311 1.00 0.00 C ATOM 893 C ARG A 58 1.237 -11.391 4.830 1.00 0.00 C ATOM 894 O ARG A 58 2.418 -11.172 5.083 1.00 0.00 O ATOM 895 CB ARG A 58 -0.674 -11.100 6.419 1.00 0.00 C ATOM 896 CG ARG A 58 0.145 -11.489 7.638 1.00 0.00 C ATOM 897 CD ARG A 58 -0.727 -12.125 8.705 1.00 0.00 C ATOM 898 NE ARG A 58 0.041 -12.492 9.890 1.00 0.00 N ATOM 899 CZ ARG A 58 -0.499 -12.811 11.063 1.00 0.00 C ATOM 900 NH1 ARG A 58 -1.818 -12.851 11.207 1.00 0.00 N ATOM 901 NH2 ARG A 58 0.286 -13.096 12.091 1.00 0.00 N ATOM 0 H ARG A 58 -1.706 -10.264 4.349 1.00 0.00 H new ATOM 0 HA ARG A 58 0.621 -9.546 5.710 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.465 -10.416 6.727 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.160 -11.990 6.020 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.931 -12.185 7.344 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.637 -10.606 8.046 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.519 -11.432 8.987 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.210 -13.013 8.297 1.00 0.00 H new ATOM 0 HE ARG A 58 1.058 -12.505 9.814 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.424 -12.636 10.415 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.225 -13.096 12.109 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.300 -13.070 11.981 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.123 -13.341 12.993 1.00 0.00 H new ATOM 915 N ASP A 59 0.832 -12.424 4.107 1.00 0.00 N ATOM 916 CA ASP A 59 1.765 -13.420 3.604 1.00 0.00 C ATOM 917 C ASP A 59 2.679 -12.817 2.546 1.00 0.00 C ATOM 918 O ASP A 59 3.871 -13.102 2.522 1.00 0.00 O ATOM 919 CB ASP A 59 1.010 -14.613 3.018 1.00 0.00 C ATOM 920 CG ASP A 59 1.930 -15.755 2.639 1.00 0.00 C ATOM 921 OD1 ASP A 59 2.258 -16.568 3.530 1.00 0.00 O ATOM 922 OD2 ASP A 59 2.314 -15.855 1.459 1.00 0.00 O ATOM 0 H ASP A 59 -0.141 -12.595 3.855 1.00 0.00 H new ATOM 0 HA ASP A 59 2.375 -13.763 4.439 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.278 -14.967 3.744 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.456 -14.290 2.137 1.00 0.00 H new ATOM 927 N SER A 60 2.120 -11.958 1.702 1.00 0.00 N ATOM 928 CA SER A 60 2.868 -11.354 0.603 1.00 0.00 C ATOM 929 C SER A 60 3.957 -10.444 1.144 1.00 0.00 C ATOM 930 O SER A 60 5.079 -10.403 0.635 1.00 0.00 O ATOM 931 CB SER A 60 1.925 -10.565 -0.301 1.00 0.00 C ATOM 932 OG SER A 60 1.551 -9.326 0.279 1.00 0.00 O ATOM 0 H SER A 60 1.145 -11.662 1.757 1.00 0.00 H new ATOM 0 HA SER A 60 3.335 -12.148 0.020 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.408 -10.385 -1.261 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.032 -11.157 -0.500 1.00 0.00 H new ATOM 0 HG SER A 60 1.305 -9.465 1.217 1.00 0.00 H new ATOM 938 N PHE A 61 3.608 -9.717 2.189 1.00 0.00 N ATOM 939 CA PHE A 61 4.560 -8.863 2.876 1.00 0.00 C ATOM 940 C PHE A 61 5.648 -9.714 3.516 1.00 0.00 C ATOM 941 O PHE A 61 6.819 -9.349 3.514 1.00 0.00 O ATOM 942 CB PHE A 61 3.862 -7.995 3.931 1.00 0.00 C ATOM 943 CG PHE A 61 3.027 -6.882 3.352 1.00 0.00 C ATOM 944 CD1 PHE A 61 3.425 -6.225 2.198 1.00 0.00 C ATOM 945 CD2 PHE A 61 1.844 -6.489 3.966 1.00 0.00 C ATOM 946 CE1 PHE A 61 2.663 -5.203 1.666 1.00 0.00 C ATOM 947 CE2 PHE A 61 1.078 -5.468 3.437 1.00 0.00 C ATOM 948 CZ PHE A 61 1.488 -4.824 2.286 1.00 0.00 C ATOM 0 H PHE A 61 2.667 -9.701 2.583 1.00 0.00 H new ATOM 0 HA PHE A 61 5.016 -8.194 2.146 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.226 -8.631 4.547 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.616 -7.565 4.590 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.343 -6.516 1.709 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.519 -6.988 4.867 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.986 -4.701 0.766 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.160 -5.174 3.923 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.891 -4.025 1.871 1.00 0.00 H new ATOM 958 N GLN A 62 5.254 -10.876 4.019 1.00 0.00 N ATOM 959 CA GLN A 62 6.201 -11.823 4.582 1.00 0.00 C ATOM 960 C GLN A 62 7.122 -12.333 3.484 1.00 0.00 C ATOM 961 O GLN A 62 8.309 -12.577 3.708 1.00 0.00 O ATOM 962 CB GLN A 62 5.464 -12.998 5.229 1.00 0.00 C ATOM 963 CG GLN A 62 4.637 -12.620 6.449 1.00 0.00 C ATOM 964 CD GLN A 62 5.476 -12.090 7.593 1.00 0.00 C ATOM 965 OE1 GLN A 62 5.709 -10.887 7.703 1.00 0.00 O ATOM 966 NE2 GLN A 62 5.931 -12.984 8.456 1.00 0.00 N ATOM 0 H GLN A 62 4.282 -11.184 4.048 1.00 0.00 H new ATOM 0 HA GLN A 62 6.790 -11.319 5.348 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.809 -13.454 4.487 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.193 -13.755 5.519 1.00 0.00 H new ATOM 0 HG2 GLN A 62 3.904 -11.866 6.164 1.00 0.00 H new ATOM 0 HG3 GLN A 62 4.080 -13.494 6.788 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.715 -13.973 8.328 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.498 -12.685 9.249 1.00 0.00 H new ATOM 975 N GLN A 63 6.557 -12.479 2.288 1.00 0.00 N ATOM 976 CA GLN A 63 7.310 -12.927 1.133 1.00 0.00 C ATOM 977 C GLN A 63 8.418 -11.940 0.806 1.00 0.00 C ATOM 978 O GLN A 63 9.569 -12.322 0.684 1.00 0.00 O ATOM 979 CB GLN A 63 6.417 -13.099 -0.091 1.00 0.00 C ATOM 980 CG GLN A 63 5.272 -14.065 0.116 1.00 0.00 C ATOM 981 CD GLN A 63 5.705 -15.449 0.549 1.00 0.00 C ATOM 982 OE1 GLN A 63 6.014 -16.308 -0.279 1.00 0.00 O ATOM 983 NE2 GLN A 63 5.696 -15.684 1.851 1.00 0.00 N ATOM 0 H GLN A 63 5.573 -12.290 2.099 1.00 0.00 H new ATOM 0 HA GLN A 63 7.740 -13.896 1.386 1.00 0.00 H new ATOM 0 HB2 GLN A 63 6.013 -12.127 -0.373 1.00 0.00 H new ATOM 0 HB3 GLN A 63 7.025 -13.446 -0.926 1.00 0.00 H new ATOM 0 HG2 GLN A 63 4.596 -13.656 0.867 1.00 0.00 H new ATOM 0 HG3 GLN A 63 4.706 -14.146 -0.812 1.00 0.00 H new ATOM 0 HE21 GLN A 63 5.433 -14.943 2.501 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.952 -16.606 2.205 1.00 0.00 H new ATOM 992 N VAL A 64 8.068 -10.664 0.688 1.00 0.00 N ATOM 993 CA VAL A 64 9.043 -9.652 0.297 1.00 0.00 C ATOM 994 C VAL A 64 10.114 -9.455 1.376 1.00 0.00 C ATOM 995 O VAL A 64 11.211 -8.971 1.092 1.00 0.00 O ATOM 996 CB VAL A 64 8.379 -8.298 -0.052 1.00 0.00 C ATOM 997 CG1 VAL A 64 7.844 -7.594 1.182 1.00 0.00 C ATOM 998 CG2 VAL A 64 9.353 -7.404 -0.804 1.00 0.00 C ATOM 0 H VAL A 64 7.127 -10.308 0.855 1.00 0.00 H new ATOM 0 HA VAL A 64 9.525 -10.026 -0.606 1.00 0.00 H new ATOM 0 HB VAL A 64 7.527 -8.508 -0.698 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.386 -6.648 0.892 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.098 -8.225 1.666 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.663 -7.403 1.876 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.869 -6.457 -1.041 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.230 -7.218 -0.184 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.660 -7.896 -1.727 1.00 0.00 H new ATOM 1008 N VAL A 65 9.803 -9.845 2.611 1.00 0.00 N ATOM 1009 CA VAL A 65 10.781 -9.776 3.690 1.00 0.00 C ATOM 1010 C VAL A 65 11.867 -10.816 3.470 1.00 0.00 C ATOM 1011 O VAL A 65 13.049 -10.547 3.647 1.00 0.00 O ATOM 1012 CB VAL A 65 10.128 -10.001 5.073 1.00 0.00 C ATOM 1013 CG1 VAL A 65 11.181 -10.078 6.168 1.00 0.00 C ATOM 1014 CG2 VAL A 65 9.137 -8.893 5.380 1.00 0.00 C ATOM 0 H VAL A 65 8.890 -10.208 2.886 1.00 0.00 H new ATOM 0 HA VAL A 65 11.213 -8.775 3.679 1.00 0.00 H new ATOM 0 HB VAL A 65 9.596 -10.952 5.041 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.694 -10.237 7.130 1.00 0.00 H new ATOM 0 HG12 VAL A 65 11.859 -10.907 5.963 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.745 -9.146 6.196 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.687 -9.068 6.357 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.654 -7.933 5.385 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.357 -8.881 4.618 1.00 0.00 H new ATOM 1024 N LYS A 66 11.454 -12.007 3.076 1.00 0.00 N ATOM 1025 CA LYS A 66 12.386 -13.078 2.807 1.00 0.00 C ATOM 1026 C LYS A 66 12.920 -13.013 1.372 1.00 0.00 C ATOM 1027 O LYS A 66 13.955 -13.596 1.056 1.00 0.00 O ATOM 1028 CB LYS A 66 11.717 -14.396 3.110 1.00 0.00 C ATOM 1029 CG LYS A 66 10.536 -14.643 2.243 1.00 0.00 C ATOM 1030 CD LYS A 66 9.704 -15.816 2.729 1.00 0.00 C ATOM 1031 CE LYS A 66 10.490 -17.123 2.746 1.00 0.00 C ATOM 1032 NZ LYS A 66 10.762 -17.641 1.378 1.00 0.00 N ATOM 0 H LYS A 66 10.474 -12.254 2.936 1.00 0.00 H new ATOM 0 HA LYS A 66 13.257 -12.972 3.454 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.436 -15.204 2.979 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.407 -14.412 4.155 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.916 -13.747 2.213 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.870 -14.834 1.223 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.335 -15.605 3.733 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.831 -15.929 2.086 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.435 -16.969 3.267 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.933 -17.871 3.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.298 -18.530 1.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.862 -17.815 0.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.317 -16.941 0.846 1.00 0.00 H new ATOM 1046 N LEU A 67 12.208 -12.287 0.518 1.00 0.00 N ATOM 1047 CA LEU A 67 12.631 -12.046 -0.864 1.00 0.00 C ATOM 1048 C LEU A 67 13.383 -10.725 -0.989 1.00 0.00 C ATOM 1049 O LEU A 67 13.307 -10.067 -2.025 1.00 0.00 O ATOM 1050 CB LEU A 67 11.435 -12.049 -1.826 1.00 0.00 C ATOM 1051 CG LEU A 67 10.682 -13.378 -1.933 1.00 0.00 C ATOM 1052 CD1 LEU A 67 9.644 -13.301 -3.037 1.00 0.00 C ATOM 1053 CD2 LEU A 67 11.646 -14.531 -2.182 1.00 0.00 C ATOM 0 H LEU A 67 11.320 -11.847 0.760 1.00 0.00 H new ATOM 0 HA LEU A 67 13.301 -12.861 -1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.733 -11.278 -1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.788 -11.770 -2.819 1.00 0.00 H new ATOM 0 HG LEU A 67 10.174 -13.564 -0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.114 -14.251 -3.105 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.934 -12.505 -2.814 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.137 -13.092 -3.986 1.00 0.00 H new ATOM 0 HD21 LEU A 67 11.087 -15.464 -2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 67 12.186 -14.359 -3.113 1.00 0.00 H new ATOM 0 HD23 LEU A 67 12.356 -14.596 -1.357 1.00 0.00 H new ATOM 1065 N LYS A 68 14.059 -10.338 0.092 1.00 0.00 N ATOM 1066 CA LYS A 68 14.843 -9.096 0.169 1.00 0.00 C ATOM 1067 C LYS A 68 15.420 -8.649 -1.169 1.00 0.00 C ATOM 1068 O LYS A 68 16.334 -9.274 -1.714 1.00 0.00 O ATOM 1069 CB LYS A 68 15.985 -9.276 1.160 1.00 0.00 C ATOM 1070 CG LYS A 68 15.518 -9.375 2.591 1.00 0.00 C ATOM 1071 CD LYS A 68 16.595 -9.944 3.489 1.00 0.00 C ATOM 1072 CE LYS A 68 16.076 -10.111 4.902 1.00 0.00 C ATOM 1073 NZ LYS A 68 16.976 -10.956 5.725 1.00 0.00 N ATOM 0 H LYS A 68 14.081 -10.883 0.954 1.00 0.00 H new ATOM 0 HA LYS A 68 14.151 -8.319 0.494 1.00 0.00 H new ATOM 0 HB2 LYS A 68 16.542 -10.177 0.903 1.00 0.00 H new ATOM 0 HB3 LYS A 68 16.675 -8.437 1.067 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.229 -8.387 2.949 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.630 -10.005 2.642 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.928 -10.907 3.102 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.462 -9.284 3.490 1.00 0.00 H new ATOM 0 HE2 LYS A 68 15.971 -9.131 5.368 1.00 0.00 H new ATOM 0 HE3 LYS A 68 15.083 -10.559 4.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.586 -11.046 6.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.057 -11.899 5.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.917 -10.516 5.774 1.00 0.00 H new ATOM 1087 N GLY A 69 14.868 -7.562 -1.684 1.00 0.00 N ATOM 1088 CA GLY A 69 15.378 -6.965 -2.902 1.00 0.00 C ATOM 1089 C GLY A 69 14.468 -7.194 -4.089 1.00 0.00 C ATOM 1090 O GLY A 69 14.549 -6.477 -5.088 1.00 0.00 O ATOM 0 H GLY A 69 14.068 -7.078 -1.276 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.508 -5.893 -2.750 1.00 0.00 H new ATOM 0 HA3 GLY A 69 16.363 -7.378 -3.119 1.00 0.00 H new ATOM 1094 N GLN A 70 13.595 -8.182 -3.982 1.00 0.00 N ATOM 1095 CA GLN A 70 12.712 -8.540 -5.078 1.00 0.00 C ATOM 1096 C GLN A 70 11.361 -7.860 -4.927 1.00 0.00 C ATOM 1097 O GLN A 70 10.828 -7.755 -3.822 1.00 0.00 O ATOM 1098 CB GLN A 70 12.530 -10.056 -5.135 1.00 0.00 C ATOM 1099 CG GLN A 70 13.831 -10.810 -5.316 1.00 0.00 C ATOM 1100 CD GLN A 70 13.629 -12.299 -5.518 1.00 0.00 C ATOM 1101 OE1 GLN A 70 12.669 -12.883 -5.020 1.00 0.00 O ATOM 1102 NE2 GLN A 70 14.540 -12.924 -6.251 1.00 0.00 N ATOM 0 H GLN A 70 13.479 -8.752 -3.144 1.00 0.00 H new ATOM 0 HA GLN A 70 13.167 -8.200 -6.008 1.00 0.00 H new ATOM 0 HB2 GLN A 70 12.048 -10.392 -4.217 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.858 -10.303 -5.956 1.00 0.00 H new ATOM 0 HG2 GLN A 70 14.365 -10.402 -6.174 1.00 0.00 H new ATOM 0 HG3 GLN A 70 14.462 -10.650 -4.442 1.00 0.00 H new ATOM 0 HE21 GLN A 70 15.322 -12.402 -6.647 1.00 0.00 H new ATOM 0 HE22 GLN A 70 14.459 -13.927 -6.419 1.00 0.00 H new ATOM 1111 N VAL A 71 10.819 -7.388 -6.043 1.00 0.00 N ATOM 1112 CA VAL A 71 9.510 -6.756 -6.049 1.00 0.00 C ATOM 1113 C VAL A 71 8.415 -7.815 -6.002 1.00 0.00 C ATOM 1114 O VAL A 71 8.288 -8.636 -6.914 1.00 0.00 O ATOM 1115 CB VAL A 71 9.318 -5.862 -7.293 1.00 0.00 C ATOM 1116 CG1 VAL A 71 7.934 -5.235 -7.302 1.00 0.00 C ATOM 1117 CG2 VAL A 71 10.389 -4.783 -7.341 1.00 0.00 C ATOM 0 H VAL A 71 11.269 -7.432 -6.957 1.00 0.00 H new ATOM 0 HA VAL A 71 9.444 -6.124 -5.164 1.00 0.00 H new ATOM 0 HB VAL A 71 9.413 -6.489 -8.180 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.823 -4.610 -8.188 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.179 -6.021 -7.316 1.00 0.00 H new ATOM 0 HG13 VAL A 71 7.806 -4.624 -6.409 1.00 0.00 H new ATOM 0 HG21 VAL A 71 10.240 -4.161 -8.224 1.00 0.00 H new ATOM 0 HG22 VAL A 71 10.323 -4.164 -6.446 1.00 0.00 H new ATOM 0 HG23 VAL A 71 11.373 -5.249 -7.388 1.00 0.00 H new ATOM 1127 N LEU A 72 7.632 -7.791 -4.939 1.00 0.00 N ATOM 1128 CA LEU A 72 6.590 -8.786 -4.736 1.00 0.00 C ATOM 1129 C LEU A 72 5.237 -8.190 -5.112 1.00 0.00 C ATOM 1130 O LEU A 72 4.774 -7.249 -4.475 1.00 0.00 O ATOM 1131 CB LEU A 72 6.595 -9.247 -3.268 1.00 0.00 C ATOM 1132 CG LEU A 72 5.992 -10.632 -2.988 1.00 0.00 C ATOM 1133 CD1 LEU A 72 4.483 -10.641 -3.185 1.00 0.00 C ATOM 1134 CD2 LEU A 72 6.653 -11.672 -3.878 1.00 0.00 C ATOM 0 H LEU A 72 7.697 -7.092 -4.199 1.00 0.00 H new ATOM 0 HA LEU A 72 6.777 -9.652 -5.371 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.625 -9.244 -2.912 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.051 -8.511 -2.676 1.00 0.00 H new ATOM 0 HG LEU A 72 6.183 -10.878 -1.944 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.095 -11.638 -2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.023 -9.924 -2.505 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.249 -10.367 -4.214 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.221 -12.652 -3.675 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.489 -11.413 -4.924 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.723 -11.698 -3.674 1.00 0.00 H new ATOM 1146 N SER A 73 4.605 -8.731 -6.139 1.00 0.00 N ATOM 1147 CA SER A 73 3.337 -8.197 -6.608 1.00 0.00 C ATOM 1148 C SER A 73 2.171 -8.922 -5.951 1.00 0.00 C ATOM 1149 O SER A 73 2.033 -10.138 -6.082 1.00 0.00 O ATOM 1150 CB SER A 73 3.257 -8.334 -8.128 1.00 0.00 C ATOM 1151 OG SER A 73 3.505 -9.674 -8.528 1.00 0.00 O ATOM 0 H SER A 73 4.947 -9.537 -6.663 1.00 0.00 H new ATOM 0 HA SER A 73 3.276 -7.143 -6.337 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.271 -8.023 -8.474 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.983 -7.670 -8.596 1.00 0.00 H new ATOM 0 HG SER A 73 3.087 -10.289 -7.889 1.00 0.00 H new ATOM 1157 N VAL A 74 1.339 -8.169 -5.254 1.00 0.00 N ATOM 1158 CA VAL A 74 0.163 -8.722 -4.606 1.00 0.00 C ATOM 1159 C VAL A 74 -1.057 -7.900 -4.944 1.00 0.00 C ATOM 1160 O VAL A 74 -1.028 -6.672 -4.953 1.00 0.00 O ATOM 1161 CB VAL A 74 0.353 -8.820 -3.072 1.00 0.00 C ATOM 1162 CG1 VAL A 74 0.709 -7.462 -2.484 1.00 0.00 C ATOM 1163 CG2 VAL A 74 -0.889 -9.388 -2.401 1.00 0.00 C ATOM 0 H VAL A 74 1.458 -7.165 -5.122 1.00 0.00 H new ATOM 0 HA VAL A 74 0.017 -9.735 -4.982 1.00 0.00 H new ATOM 0 HB VAL A 74 1.180 -9.503 -2.881 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.838 -7.555 -1.406 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.637 -7.104 -2.931 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.092 -6.753 -2.694 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.727 -9.445 -1.325 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.742 -8.740 -2.606 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.089 -10.386 -2.791 1.00 0.00 H new ATOM 1173 N MET A 75 -2.122 -8.598 -5.254 1.00 0.00 N ATOM 1174 CA MET A 75 -3.325 -7.967 -5.721 1.00 0.00 C ATOM 1175 C MET A 75 -4.447 -8.163 -4.708 1.00 0.00 C ATOM 1176 O MET A 75 -4.773 -9.289 -4.345 1.00 0.00 O ATOM 1177 CB MET A 75 -3.703 -8.555 -7.073 1.00 0.00 C ATOM 1178 CG MET A 75 -4.743 -7.741 -7.788 1.00 0.00 C ATOM 1179 SD MET A 75 -5.303 -8.509 -9.320 1.00 0.00 S ATOM 1180 CE MET A 75 -6.484 -7.293 -9.902 1.00 0.00 C ATOM 0 H MET A 75 -2.176 -9.614 -5.189 1.00 0.00 H new ATOM 0 HA MET A 75 -3.160 -6.896 -5.835 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.811 -8.626 -7.696 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.075 -9.570 -6.932 1.00 0.00 H new ATOM 0 HG2 MET A 75 -5.598 -7.592 -7.128 1.00 0.00 H new ATOM 0 HG3 MET A 75 -4.336 -6.754 -8.010 1.00 0.00 H new ATOM 0 HE1 MET A 75 -6.465 -7.260 -10.991 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.484 -7.566 -9.564 1.00 0.00 H new ATOM 0 HE3 MET A 75 -6.222 -6.312 -9.505 1.00 0.00 H new ATOM 1190 N PHE A 76 -5.030 -7.060 -4.266 1.00 0.00 N ATOM 1191 CA PHE A 76 -6.060 -7.086 -3.233 1.00 0.00 C ATOM 1192 C PHE A 76 -7.040 -5.941 -3.467 1.00 0.00 C ATOM 1193 O PHE A 76 -6.867 -5.155 -4.402 1.00 0.00 O ATOM 1194 CB PHE A 76 -5.427 -6.969 -1.839 1.00 0.00 C ATOM 1195 CG PHE A 76 -4.859 -5.613 -1.535 1.00 0.00 C ATOM 1196 CD1 PHE A 76 -3.670 -5.198 -2.109 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -5.516 -4.755 -0.670 1.00 0.00 C ATOM 1198 CE1 PHE A 76 -3.150 -3.953 -1.827 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -4.999 -3.507 -0.383 1.00 0.00 C ATOM 1200 CZ PHE A 76 -3.814 -3.106 -0.964 1.00 0.00 C ATOM 0 H PHE A 76 -4.806 -6.126 -4.609 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.594 -8.035 -3.285 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -6.179 -7.212 -1.089 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.634 -7.712 -1.748 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.144 -5.856 -2.785 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -6.444 -5.065 -0.214 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.222 -3.640 -2.282 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.521 -2.847 0.294 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.407 -2.130 -0.744 1.00 0.00 H new ATOM 1210 N ARG A 77 -8.063 -5.841 -2.630 1.00 0.00 N ATOM 1211 CA ARG A 77 -9.017 -4.743 -2.729 1.00 0.00 C ATOM 1212 C ARG A 77 -8.758 -3.702 -1.647 1.00 0.00 C ATOM 1213 O ARG A 77 -8.837 -3.998 -0.451 1.00 0.00 O ATOM 1214 CB ARG A 77 -10.458 -5.251 -2.637 1.00 0.00 C ATOM 1215 CG ARG A 77 -10.911 -6.032 -3.857 1.00 0.00 C ATOM 1216 CD ARG A 77 -12.381 -6.409 -3.759 1.00 0.00 C ATOM 1217 NE ARG A 77 -12.834 -7.166 -4.924 1.00 0.00 N ATOM 1218 CZ ARG A 77 -14.114 -7.320 -5.267 1.00 0.00 C ATOM 1219 NH1 ARG A 77 -15.075 -6.769 -4.530 1.00 0.00 N ATOM 1220 NH2 ARG A 77 -14.436 -8.022 -6.346 1.00 0.00 N ATOM 0 H ARG A 77 -8.254 -6.503 -1.878 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.881 -4.276 -3.704 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -10.555 -5.884 -1.755 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -11.125 -4.401 -2.493 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -10.746 -5.436 -4.755 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -10.308 -6.934 -3.958 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -12.544 -7.000 -2.858 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -12.981 -5.504 -3.660 1.00 0.00 H new ATOM 0 HE ARG A 77 -12.126 -7.605 -5.513 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -14.834 -6.227 -3.700 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -16.053 -6.889 -4.795 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -13.704 -8.446 -6.916 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -15.416 -8.138 -6.605 1.00 0.00 H new ATOM 1234 N PHE A 78 -8.445 -2.489 -2.081 1.00 0.00 N ATOM 1235 CA PHE A 78 -8.167 -1.379 -1.179 1.00 0.00 C ATOM 1236 C PHE A 78 -9.451 -0.611 -0.908 1.00 0.00 C ATOM 1237 O PHE A 78 -10.238 -0.371 -1.826 1.00 0.00 O ATOM 1238 CB PHE A 78 -7.147 -0.435 -1.823 1.00 0.00 C ATOM 1239 CG PHE A 78 -6.349 0.406 -0.856 1.00 0.00 C ATOM 1240 CD1 PHE A 78 -6.864 1.584 -0.334 1.00 0.00 C ATOM 1241 CD2 PHE A 78 -5.066 0.027 -0.498 1.00 0.00 C ATOM 1242 CE1 PHE A 78 -6.114 2.361 0.529 1.00 0.00 C ATOM 1243 CE2 PHE A 78 -4.310 0.805 0.358 1.00 0.00 C ATOM 1244 CZ PHE A 78 -4.836 1.973 0.873 1.00 0.00 C ATOM 0 H PHE A 78 -8.376 -2.246 -3.069 1.00 0.00 H new ATOM 0 HA PHE A 78 -7.766 -1.769 -0.244 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.455 -1.028 -2.421 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.673 0.229 -2.509 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -7.861 1.897 -0.605 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.651 -0.888 -0.893 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.529 3.272 0.934 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.309 0.500 0.624 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.248 2.582 1.544 1.00 0.00 H new ATOM 1254 N ARG A 79 -9.670 -0.241 0.341 1.00 0.00 N ATOM 1255 CA ARG A 79 -10.832 0.557 0.688 1.00 0.00 C ATOM 1256 C ARG A 79 -10.570 2.026 0.389 1.00 0.00 C ATOM 1257 O ARG A 79 -9.764 2.665 1.054 1.00 0.00 O ATOM 1258 CB ARG A 79 -11.182 0.403 2.162 1.00 0.00 C ATOM 1259 CG ARG A 79 -12.577 0.897 2.495 1.00 0.00 C ATOM 1260 CD ARG A 79 -12.652 1.410 3.919 1.00 0.00 C ATOM 1261 NE ARG A 79 -12.040 0.481 4.875 1.00 0.00 N ATOM 1262 CZ ARG A 79 -12.237 0.526 6.193 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -13.012 1.459 6.727 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -11.639 -0.360 6.983 1.00 0.00 N ATOM 0 H ARG A 79 -9.064 -0.478 1.126 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.670 0.202 0.087 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -11.098 -0.647 2.442 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -10.456 0.952 2.761 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -12.859 1.692 1.804 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.294 0.088 2.359 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.151 2.376 3.982 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -13.695 1.573 4.190 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.425 -0.245 4.508 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -13.464 2.151 6.129 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -13.157 1.485 7.736 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.030 -1.073 6.581 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -11.789 -0.327 7.991 1.00 0.00 H new ATOM 1278 N SER A 80 -11.221 2.533 -0.641 1.00 0.00 N ATOM 1279 CA SER A 80 -11.160 3.949 -0.979 1.00 0.00 C ATOM 1280 C SER A 80 -11.761 4.830 0.119 1.00 0.00 C ATOM 1281 O SER A 80 -12.253 4.346 1.142 1.00 0.00 O ATOM 1282 CB SER A 80 -11.915 4.203 -2.278 1.00 0.00 C ATOM 1283 OG SER A 80 -13.306 3.987 -2.116 1.00 0.00 O ATOM 0 H SER A 80 -11.806 1.980 -1.267 1.00 0.00 H new ATOM 0 HA SER A 80 -10.107 4.209 -1.089 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.740 5.227 -2.609 1.00 0.00 H new ATOM 0 HB3 SER A 80 -11.531 3.546 -3.059 1.00 0.00 H new ATOM 0 HG SER A 80 -13.779 4.284 -2.921 1.00 0.00 H new ATOM 1289 N LYS A 81 -11.766 6.137 -0.138 1.00 0.00 N ATOM 1290 CA LYS A 81 -12.319 7.117 0.791 1.00 0.00 C ATOM 1291 C LYS A 81 -13.837 7.092 0.708 1.00 0.00 C ATOM 1292 O LYS A 81 -14.538 7.719 1.505 1.00 0.00 O ATOM 1293 CB LYS A 81 -11.805 8.517 0.442 1.00 0.00 C ATOM 1294 CG LYS A 81 -12.076 9.574 1.503 1.00 0.00 C ATOM 1295 CD LYS A 81 -11.404 9.226 2.819 1.00 0.00 C ATOM 1296 CE LYS A 81 -11.498 10.364 3.826 1.00 0.00 C ATOM 1297 NZ LYS A 81 -10.723 11.557 3.394 1.00 0.00 N ATOM 0 H LYS A 81 -11.388 6.544 -0.993 1.00 0.00 H new ATOM 0 HA LYS A 81 -12.006 6.868 1.805 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.730 8.462 0.268 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.263 8.835 -0.494 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.716 10.542 1.154 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.151 9.670 1.656 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.867 8.332 3.237 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.356 8.987 2.639 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.543 10.641 3.963 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -11.129 10.023 4.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -10.786 12.295 4.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -9.727 11.292 3.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -11.113 11.919 2.500 1.00 0.00 H new ATOM 1311 N ASN A 82 -14.330 6.338 -0.258 1.00 0.00 N ATOM 1312 CA ASN A 82 -15.755 6.198 -0.486 1.00 0.00 C ATOM 1313 C ASN A 82 -16.233 4.928 0.194 1.00 0.00 C ATOM 1314 O ASN A 82 -17.409 4.566 0.120 1.00 0.00 O ATOM 1315 CB ASN A 82 -16.032 6.127 -1.992 1.00 0.00 C ATOM 1316 CG ASN A 82 -15.447 7.310 -2.741 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -15.480 8.445 -2.264 1.00 0.00 O ATOM 1318 ND2 ASN A 82 -14.865 7.047 -3.902 1.00 0.00 N ATOM 0 H ASN A 82 -13.751 5.805 -0.907 1.00 0.00 H new ATOM 0 HA ASN A 82 -16.287 7.056 -0.074 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -15.614 5.203 -2.393 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -17.108 6.090 -2.160 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -14.424 7.798 -4.433 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -14.858 6.094 -4.265 1.00 0.00 H new ATOM 1325 N GLN A 83 -15.286 4.263 0.857 1.00 0.00 N ATOM 1326 CA GLN A 83 -15.531 3.013 1.566 1.00 0.00 C ATOM 1327 C GLN A 83 -15.885 1.906 0.590 1.00 0.00 C ATOM 1328 O GLN A 83 -16.603 0.963 0.925 1.00 0.00 O ATOM 1329 CB GLN A 83 -16.622 3.170 2.629 1.00 0.00 C ATOM 1330 CG GLN A 83 -16.153 3.887 3.890 1.00 0.00 C ATOM 1331 CD GLN A 83 -15.703 5.313 3.636 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -16.506 6.242 3.672 1.00 0.00 O ATOM 1333 NE2 GLN A 83 -14.411 5.501 3.394 1.00 0.00 N ATOM 0 H GLN A 83 -14.319 4.583 0.916 1.00 0.00 H new ATOM 0 HA GLN A 83 -14.610 2.740 2.081 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -17.459 3.721 2.199 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -16.996 2.183 2.901 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -16.963 3.893 4.619 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -15.330 3.327 4.333 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -13.775 4.704 3.372 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -14.055 6.443 3.230 1.00 0.00 H new ATOM 1342 N GLU A 84 -15.380 2.037 -0.625 1.00 0.00 N ATOM 1343 CA GLU A 84 -15.564 1.030 -1.635 1.00 0.00 C ATOM 1344 C GLU A 84 -14.244 0.303 -1.847 1.00 0.00 C ATOM 1345 O GLU A 84 -13.180 0.872 -1.610 1.00 0.00 O ATOM 1346 CB GLU A 84 -16.070 1.690 -2.917 1.00 0.00 C ATOM 1347 CG GLU A 84 -14.982 2.165 -3.861 1.00 0.00 C ATOM 1348 CD GLU A 84 -15.375 3.428 -4.596 1.00 0.00 C ATOM 1349 OE1 GLU A 84 -16.389 3.414 -5.324 1.00 0.00 O ATOM 1350 OE2 GLU A 84 -14.674 4.449 -4.430 1.00 0.00 O ATOM 0 H GLU A 84 -14.835 2.843 -0.930 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.309 0.296 -1.326 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -16.707 0.981 -3.447 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -16.695 2.541 -2.648 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.067 2.345 -3.297 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.762 1.379 -4.584 1.00 0.00 H new ATOM 1357 N TRP A 85 -14.297 -0.943 -2.271 1.00 0.00 N ATOM 1358 CA TRP A 85 -13.107 -1.762 -2.321 1.00 0.00 C ATOM 1359 C TRP A 85 -12.706 -2.045 -3.765 1.00 0.00 C ATOM 1360 O TRP A 85 -13.288 -2.905 -4.429 1.00 0.00 O ATOM 1361 CB TRP A 85 -13.365 -3.060 -1.551 1.00 0.00 C ATOM 1362 CG TRP A 85 -13.826 -2.818 -0.141 1.00 0.00 C ATOM 1363 CD1 TRP A 85 -15.091 -2.490 0.261 1.00 0.00 C ATOM 1364 CD2 TRP A 85 -13.036 -2.876 1.052 1.00 0.00 C ATOM 1365 NE1 TRP A 85 -15.130 -2.333 1.624 1.00 0.00 N ATOM 1366 CE2 TRP A 85 -13.886 -2.572 2.133 1.00 0.00 C ATOM 1367 CE3 TRP A 85 -11.697 -3.159 1.316 1.00 0.00 C ATOM 1368 CZ2 TRP A 85 -13.439 -2.538 3.450 1.00 0.00 C ATOM 1369 CZ3 TRP A 85 -11.255 -3.123 2.625 1.00 0.00 C ATOM 1370 CH2 TRP A 85 -12.123 -2.821 3.676 1.00 0.00 C ATOM 0 H TRP A 85 -15.149 -1.408 -2.585 1.00 0.00 H new ATOM 0 HA TRP A 85 -12.277 -1.231 -1.855 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -14.117 -3.647 -2.079 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -12.451 -3.654 -1.533 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -15.938 -2.372 -0.399 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -15.954 -2.079 2.168 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -11.017 -3.402 0.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -14.108 -2.297 4.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -10.217 -3.333 2.839 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -11.746 -2.811 4.688 1.00 0.00 H new ATOM 1381 N LEU A 86 -11.710 -1.310 -4.243 1.00 0.00 N ATOM 1382 CA LEU A 86 -11.258 -1.436 -5.622 1.00 0.00 C ATOM 1383 C LEU A 86 -10.001 -2.292 -5.707 1.00 0.00 C ATOM 1384 O LEU A 86 -9.290 -2.468 -4.720 1.00 0.00 O ATOM 1385 CB LEU A 86 -11.033 -0.054 -6.300 1.00 0.00 C ATOM 1386 CG LEU A 86 -10.307 1.069 -5.519 1.00 0.00 C ATOM 1387 CD1 LEU A 86 -11.246 1.763 -4.556 1.00 0.00 C ATOM 1388 CD2 LEU A 86 -9.067 0.571 -4.786 1.00 0.00 C ATOM 0 H LEU A 86 -11.199 -0.619 -3.694 1.00 0.00 H new ATOM 0 HA LEU A 86 -12.056 -1.935 -6.172 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.472 -0.228 -7.218 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -12.011 0.330 -6.591 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.972 1.790 -6.264 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.707 2.546 -4.023 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -12.074 2.205 -5.110 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -11.634 1.038 -3.841 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.599 1.401 -4.256 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -9.352 -0.201 -4.071 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.361 0.156 -5.505 1.00 0.00 H new ATOM 1400 N TRP A 87 -9.737 -2.831 -6.888 1.00 0.00 N ATOM 1401 CA TRP A 87 -8.549 -3.642 -7.096 1.00 0.00 C ATOM 1402 C TRP A 87 -7.314 -2.777 -7.090 1.00 0.00 C ATOM 1403 O TRP A 87 -7.222 -1.807 -7.838 1.00 0.00 O ATOM 1404 CB TRP A 87 -8.613 -4.402 -8.415 1.00 0.00 C ATOM 1405 CG TRP A 87 -9.658 -5.459 -8.430 1.00 0.00 C ATOM 1406 CD1 TRP A 87 -10.811 -5.442 -9.141 1.00 0.00 C ATOM 1407 CD2 TRP A 87 -9.645 -6.686 -7.694 1.00 0.00 C ATOM 1408 NE1 TRP A 87 -11.530 -6.590 -8.897 1.00 0.00 N ATOM 1409 CE2 TRP A 87 -10.832 -7.369 -8.008 1.00 0.00 C ATOM 1410 CE3 TRP A 87 -8.743 -7.270 -6.798 1.00 0.00 C ATOM 1411 CZ2 TRP A 87 -11.140 -8.611 -7.460 1.00 0.00 C ATOM 1412 CZ3 TRP A 87 -9.049 -8.502 -6.254 1.00 0.00 C ATOM 1413 CH2 TRP A 87 -10.240 -9.163 -6.586 1.00 0.00 C ATOM 0 H TRP A 87 -10.327 -2.722 -7.713 1.00 0.00 H new ATOM 0 HA TRP A 87 -8.503 -4.362 -6.279 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -8.806 -3.698 -9.224 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -7.642 -4.857 -8.613 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -11.120 -4.645 -9.802 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -12.433 -6.824 -9.309 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -7.824 -6.766 -6.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -12.057 -9.122 -7.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -8.360 -8.963 -5.562 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -10.452 -10.126 -6.145 1.00 0.00 H new ATOM 1424 N MET A 88 -6.385 -3.110 -6.230 1.00 0.00 N ATOM 1425 CA MET A 88 -5.105 -2.447 -6.204 1.00 0.00 C ATOM 1426 C MET A 88 -3.995 -3.479 -6.117 1.00 0.00 C ATOM 1427 O MET A 88 -4.000 -4.339 -5.236 1.00 0.00 O ATOM 1428 CB MET A 88 -5.037 -1.484 -5.024 1.00 0.00 C ATOM 1429 CG MET A 88 -3.671 -0.857 -4.818 1.00 0.00 C ATOM 1430 SD MET A 88 -3.659 0.896 -5.210 1.00 0.00 S ATOM 1431 CE MET A 88 -4.726 1.523 -3.920 1.00 0.00 C ATOM 0 H MET A 88 -6.493 -3.845 -5.531 1.00 0.00 H new ATOM 0 HA MET A 88 -4.978 -1.873 -7.122 1.00 0.00 H new ATOM 0 HB2 MET A 88 -5.771 -0.692 -5.172 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.322 -2.017 -4.117 1.00 0.00 H new ATOM 0 HG2 MET A 88 -3.362 -0.997 -3.782 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.940 -1.371 -5.442 1.00 0.00 H new ATOM 0 HE1 MET A 88 -4.670 2.611 -3.898 1.00 0.00 H new ATOM 0 HE2 MET A 88 -5.753 1.216 -4.116 1.00 0.00 H new ATOM 0 HE3 MET A 88 -4.406 1.124 -2.957 1.00 0.00 H new ATOM 1441 N ARG A 89 -3.073 -3.421 -7.058 1.00 0.00 N ATOM 1442 CA ARG A 89 -1.933 -4.310 -7.045 1.00 0.00 C ATOM 1443 C ARG A 89 -0.745 -3.589 -6.434 1.00 0.00 C ATOM 1444 O ARG A 89 -0.223 -2.634 -7.014 1.00 0.00 O ATOM 1445 CB ARG A 89 -1.581 -4.775 -8.458 1.00 0.00 C ATOM 1446 CG ARG A 89 -0.683 -5.998 -8.474 1.00 0.00 C ATOM 1447 CD ARG A 89 0.090 -6.105 -9.777 1.00 0.00 C ATOM 1448 NE ARG A 89 1.068 -5.026 -9.921 1.00 0.00 N ATOM 1449 CZ ARG A 89 1.922 -4.925 -10.935 1.00 0.00 C ATOM 1450 NH1 ARG A 89 1.928 -5.841 -11.898 1.00 0.00 N ATOM 1451 NH2 ARG A 89 2.778 -3.912 -10.980 1.00 0.00 N ATOM 0 H ARG A 89 -3.093 -2.767 -7.840 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.184 -5.189 -6.451 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.500 -4.999 -9.000 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.087 -3.962 -8.990 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.015 -5.949 -7.639 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -1.286 -6.895 -8.333 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.602 -7.067 -9.818 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -0.606 -6.078 -10.615 1.00 0.00 H new ATOM 0 HE ARG A 89 1.096 -4.307 -9.198 1.00 0.00 H new ATOM 0 HH11 ARG A 89 1.276 -6.625 -11.861 1.00 0.00 H new ATOM 0 HH12 ARG A 89 2.585 -5.760 -12.674 1.00 0.00 H new ATOM 0 HH21 ARG A 89 2.780 -3.213 -10.238 1.00 0.00 H new ATOM 0 HH22 ARG A 89 3.434 -3.833 -11.757 1.00 0.00 H new ATOM 1465 N THR A 90 -0.337 -4.027 -5.265 1.00 0.00 N ATOM 1466 CA THR A 90 0.777 -3.422 -4.574 1.00 0.00 C ATOM 1467 C THR A 90 2.073 -4.164 -4.880 1.00 0.00 C ATOM 1468 O THR A 90 2.149 -5.390 -4.768 1.00 0.00 O ATOM 1469 CB THR A 90 0.527 -3.394 -3.054 1.00 0.00 C ATOM 1470 OG1 THR A 90 -0.642 -2.615 -2.778 1.00 0.00 O ATOM 1471 CG2 THR A 90 1.713 -2.807 -2.307 1.00 0.00 C ATOM 0 H THR A 90 -0.766 -4.808 -4.769 1.00 0.00 H new ATOM 0 HA THR A 90 0.874 -2.396 -4.929 1.00 0.00 H new ATOM 0 HB THR A 90 0.385 -4.420 -2.714 1.00 0.00 H new ATOM 0 HG1 THR A 90 -0.383 -1.685 -2.609 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.503 -2.802 -1.237 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.600 -3.411 -2.500 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.888 -1.786 -2.647 1.00 0.00 H new ATOM 1479 N SER A 91 3.070 -3.411 -5.307 1.00 0.00 N ATOM 1480 CA SER A 91 4.394 -3.942 -5.538 1.00 0.00 C ATOM 1481 C SER A 91 5.246 -3.715 -4.297 1.00 0.00 C ATOM 1482 O SER A 91 5.511 -2.574 -3.916 1.00 0.00 O ATOM 1483 CB SER A 91 5.024 -3.270 -6.757 1.00 0.00 C ATOM 1484 OG SER A 91 4.235 -3.483 -7.919 1.00 0.00 O ATOM 0 H SER A 91 2.981 -2.414 -5.503 1.00 0.00 H new ATOM 0 HA SER A 91 4.332 -5.012 -5.736 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.128 -2.200 -6.574 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.027 -3.665 -6.917 1.00 0.00 H new ATOM 0 HG SER A 91 4.657 -3.042 -8.686 1.00 0.00 H new ATOM 1490 N SER A 92 5.654 -4.800 -3.668 1.00 0.00 N ATOM 1491 CA SER A 92 6.373 -4.733 -2.412 1.00 0.00 C ATOM 1492 C SER A 92 7.872 -4.756 -2.654 1.00 0.00 C ATOM 1493 O SER A 92 8.383 -5.641 -3.338 1.00 0.00 O ATOM 1494 CB SER A 92 5.979 -5.908 -1.517 1.00 0.00 C ATOM 1495 OG SER A 92 4.569 -6.042 -1.449 1.00 0.00 O ATOM 0 H SER A 92 5.497 -5.748 -4.011 1.00 0.00 H new ATOM 0 HA SER A 92 6.111 -3.799 -1.916 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.417 -6.828 -1.904 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.383 -5.759 -0.516 1.00 0.00 H new ATOM 0 HG SER A 92 4.340 -6.801 -0.872 1.00 0.00 H new ATOM 1501 N PHE A 93 8.557 -3.765 -2.121 1.00 0.00 N ATOM 1502 CA PHE A 93 10.006 -3.748 -2.124 1.00 0.00 C ATOM 1503 C PHE A 93 10.507 -3.592 -0.698 1.00 0.00 C ATOM 1504 O PHE A 93 9.984 -2.783 0.062 1.00 0.00 O ATOM 1505 CB PHE A 93 10.515 -2.597 -2.999 1.00 0.00 C ATOM 1506 CG PHE A 93 12.003 -2.363 -2.909 1.00 0.00 C ATOM 1507 CD1 PHE A 93 12.879 -3.060 -3.725 1.00 0.00 C ATOM 1508 CD2 PHE A 93 12.523 -1.445 -2.004 1.00 0.00 C ATOM 1509 CE1 PHE A 93 14.244 -2.847 -3.641 1.00 0.00 C ATOM 1510 CE2 PHE A 93 13.884 -1.230 -1.915 1.00 0.00 C ATOM 1511 CZ PHE A 93 14.746 -1.933 -2.734 1.00 0.00 C ATOM 0 H PHE A 93 8.129 -2.953 -1.676 1.00 0.00 H new ATOM 0 HA PHE A 93 10.382 -4.685 -2.535 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.253 -2.801 -4.037 1.00 0.00 H new ATOM 0 HB3 PHE A 93 9.997 -1.682 -2.713 1.00 0.00 H new ATOM 0 HD1 PHE A 93 12.493 -3.777 -4.434 1.00 0.00 H new ATOM 0 HD2 PHE A 93 11.853 -0.892 -1.362 1.00 0.00 H new ATOM 0 HE1 PHE A 93 14.917 -3.395 -4.284 1.00 0.00 H new ATOM 0 HE2 PHE A 93 14.274 -0.514 -1.207 1.00 0.00 H new ATOM 0 HZ PHE A 93 15.811 -1.769 -2.666 1.00 0.00 H new ATOM 1521 N THR A 94 11.497 -4.375 -0.325 1.00 0.00 N ATOM 1522 CA THR A 94 12.096 -4.239 0.984 1.00 0.00 C ATOM 1523 C THR A 94 13.391 -3.444 0.897 1.00 0.00 C ATOM 1524 O THR A 94 14.388 -3.909 0.340 1.00 0.00 O ATOM 1525 CB THR A 94 12.341 -5.609 1.627 1.00 0.00 C ATOM 1526 OG1 THR A 94 12.690 -6.575 0.623 1.00 0.00 O ATOM 1527 CG2 THR A 94 11.108 -6.067 2.391 1.00 0.00 C ATOM 0 H THR A 94 11.902 -5.109 -0.907 1.00 0.00 H new ATOM 0 HA THR A 94 11.398 -3.694 1.620 1.00 0.00 H new ATOM 0 HB THR A 94 13.170 -5.518 2.329 1.00 0.00 H new ATOM 0 HG1 THR A 94 12.188 -7.402 0.777 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.300 -7.041 2.841 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.876 -5.345 3.174 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.263 -6.143 1.706 1.00 0.00 H new ATOM 1535 N PHE A 95 13.355 -2.231 1.432 1.00 0.00 N ATOM 1536 CA PHE A 95 14.476 -1.311 1.326 1.00 0.00 C ATOM 1537 C PHE A 95 15.551 -1.658 2.342 1.00 0.00 C ATOM 1538 O PHE A 95 15.370 -1.459 3.543 1.00 0.00 O ATOM 1539 CB PHE A 95 13.986 0.128 1.523 1.00 0.00 C ATOM 1540 CG PHE A 95 15.000 1.178 1.170 1.00 0.00 C ATOM 1541 CD1 PHE A 95 15.569 1.215 -0.093 1.00 0.00 C ATOM 1542 CD2 PHE A 95 15.377 2.135 2.098 1.00 0.00 C ATOM 1543 CE1 PHE A 95 16.496 2.185 -0.423 1.00 0.00 C ATOM 1544 CE2 PHE A 95 16.301 3.107 1.774 1.00 0.00 C ATOM 1545 CZ PHE A 95 16.862 3.132 0.512 1.00 0.00 C ATOM 0 H PHE A 95 12.556 -1.861 1.947 1.00 0.00 H new ATOM 0 HA PHE A 95 14.914 -1.400 0.332 1.00 0.00 H new ATOM 0 HB2 PHE A 95 13.094 0.282 0.916 1.00 0.00 H new ATOM 0 HB3 PHE A 95 13.690 0.260 2.564 1.00 0.00 H new ATOM 0 HD1 PHE A 95 15.284 0.477 -0.828 1.00 0.00 H new ATOM 0 HD2 PHE A 95 14.943 2.120 3.087 1.00 0.00 H new ATOM 0 HE1 PHE A 95 16.933 2.202 -1.410 1.00 0.00 H new ATOM 0 HE2 PHE A 95 16.585 3.848 2.507 1.00 0.00 H new ATOM 0 HZ PHE A 95 17.586 3.892 0.257 1.00 0.00 H new ATOM 1555 N GLN A 96 16.656 -2.197 1.855 1.00 0.00 N ATOM 1556 CA GLN A 96 17.763 -2.578 2.714 1.00 0.00 C ATOM 1557 C GLN A 96 18.848 -1.519 2.693 1.00 0.00 C ATOM 1558 O GLN A 96 19.103 -0.890 1.664 1.00 0.00 O ATOM 1559 CB GLN A 96 18.358 -3.911 2.268 1.00 0.00 C ATOM 1560 CG GLN A 96 17.414 -5.088 2.416 1.00 0.00 C ATOM 1561 CD GLN A 96 18.060 -6.392 2.005 1.00 0.00 C ATOM 1562 OE1 GLN A 96 17.974 -6.808 0.848 1.00 0.00 O ATOM 1563 NE2 GLN A 96 18.729 -7.038 2.945 1.00 0.00 N ATOM 0 H GLN A 96 16.810 -2.381 0.864 1.00 0.00 H new ATOM 0 HA GLN A 96 17.376 -2.677 3.728 1.00 0.00 H new ATOM 0 HB2 GLN A 96 18.661 -3.831 1.224 1.00 0.00 H new ATOM 0 HB3 GLN A 96 19.260 -4.107 2.848 1.00 0.00 H new ATOM 0 HG2 GLN A 96 17.084 -5.159 3.452 1.00 0.00 H new ATOM 0 HG3 GLN A 96 16.525 -4.917 1.809 1.00 0.00 H new ATOM 0 HE21 GLN A 96 18.775 -6.658 3.891 1.00 0.00 H new ATOM 0 HE22 GLN A 96 19.199 -7.916 2.725 1.00 0.00 H new ATOM 1659 N ILE A 103 16.658 -4.063 6.981 1.00 0.00 N ATOM 1660 CA ILE A 103 15.624 -3.409 6.207 1.00 0.00 C ATOM 1661 C ILE A 103 15.088 -2.206 6.955 1.00 0.00 C ATOM 1662 O ILE A 103 14.667 -2.306 8.109 1.00 0.00 O ATOM 1663 CB ILE A 103 14.468 -4.373 5.882 1.00 0.00 C ATOM 1664 CG1 ILE A 103 14.981 -5.505 5.003 1.00 0.00 C ATOM 1665 CG2 ILE A 103 13.318 -3.641 5.199 1.00 0.00 C ATOM 1666 CD1 ILE A 103 13.926 -6.525 4.654 1.00 0.00 C ATOM 0 HA ILE A 103 16.072 -3.083 5.268 1.00 0.00 H new ATOM 0 HB ILE A 103 14.086 -4.788 6.815 1.00 0.00 H new ATOM 0 HG12 ILE A 103 15.386 -5.084 4.083 1.00 0.00 H new ATOM 0 HG13 ILE A 103 15.804 -6.006 5.513 1.00 0.00 H new ATOM 0 HG21 ILE A 103 12.516 -4.346 4.981 1.00 0.00 H new ATOM 0 HG22 ILE A 103 12.943 -2.857 5.858 1.00 0.00 H new ATOM 0 HG23 ILE A 103 13.672 -3.195 4.269 1.00 0.00 H new ATOM 0 HD11 ILE A 103 14.364 -7.301 4.026 1.00 0.00 H new ATOM 0 HD12 ILE A 103 13.537 -6.974 5.568 1.00 0.00 H new ATOM 0 HD13 ILE A 103 13.113 -6.038 4.115 1.00 0.00 H new ATOM 1678 N GLU A 104 15.131 -1.076 6.279 1.00 0.00 N ATOM 1679 CA GLU A 104 14.655 0.178 6.826 1.00 0.00 C ATOM 1680 C GLU A 104 13.147 0.105 6.994 1.00 0.00 C ATOM 1681 O GLU A 104 12.602 0.426 8.052 1.00 0.00 O ATOM 1682 CB GLU A 104 15.013 1.320 5.869 1.00 0.00 C ATOM 1683 CG GLU A 104 16.343 1.125 5.155 1.00 0.00 C ATOM 1684 CD GLU A 104 17.539 1.199 6.091 1.00 0.00 C ATOM 1685 OE1 GLU A 104 17.858 0.189 6.744 1.00 0.00 O ATOM 1686 OE2 GLU A 104 18.168 2.278 6.163 1.00 0.00 O ATOM 0 H GLU A 104 15.499 -1.001 5.331 1.00 0.00 H new ATOM 0 HA GLU A 104 15.122 0.361 7.794 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.223 1.420 5.125 1.00 0.00 H new ATOM 0 HB3 GLU A 104 15.045 2.255 6.429 1.00 0.00 H new ATOM 0 HG2 GLU A 104 16.341 0.157 4.654 1.00 0.00 H new ATOM 0 HG3 GLU A 104 16.448 1.885 4.381 1.00 0.00 H new ATOM 1693 N TYR A 105 12.494 -0.331 5.920 1.00 0.00 N ATOM 1694 CA TYR A 105 11.044 -0.470 5.861 1.00 0.00 C ATOM 1695 C TYR A 105 10.640 -1.015 4.497 1.00 0.00 C ATOM 1696 O TYR A 105 11.496 -1.351 3.676 1.00 0.00 O ATOM 1697 CB TYR A 105 10.333 0.872 6.120 1.00 0.00 C ATOM 1698 CG TYR A 105 10.923 2.059 5.385 1.00 0.00 C ATOM 1699 CD1 TYR A 105 10.879 2.151 3.997 1.00 0.00 C ATOM 1700 CD2 TYR A 105 11.529 3.091 6.090 1.00 0.00 C ATOM 1701 CE1 TYR A 105 11.424 3.237 3.337 1.00 0.00 C ATOM 1702 CE2 TYR A 105 12.074 4.177 5.438 1.00 0.00 C ATOM 1703 CZ TYR A 105 12.021 4.246 4.063 1.00 0.00 C ATOM 1704 OH TYR A 105 12.569 5.330 3.412 1.00 0.00 O ATOM 0 H TYR A 105 12.964 -0.601 5.056 1.00 0.00 H new ATOM 0 HA TYR A 105 10.739 -1.164 6.644 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.285 0.772 5.837 1.00 0.00 H new ATOM 0 HB3 TYR A 105 10.356 1.078 7.190 1.00 0.00 H new ATOM 0 HD1 TYR A 105 10.412 1.362 3.426 1.00 0.00 H new ATOM 0 HD2 TYR A 105 11.574 3.042 7.168 1.00 0.00 H new ATOM 0 HE1 TYR A 105 11.382 3.295 2.259 1.00 0.00 H new ATOM 0 HE2 TYR A 105 12.541 4.970 6.003 1.00 0.00 H new ATOM 0 HH TYR A 105 12.948 5.949 4.070 1.00 0.00 H new ATOM 1714 N ILE A 106 9.346 -1.091 4.255 1.00 0.00 N ATOM 1715 CA ILE A 106 8.841 -1.573 2.985 1.00 0.00 C ATOM 1716 C ILE A 106 8.420 -0.396 2.115 1.00 0.00 C ATOM 1717 O ILE A 106 7.816 0.562 2.601 1.00 0.00 O ATOM 1718 CB ILE A 106 7.634 -2.522 3.173 1.00 0.00 C ATOM 1719 CG1 ILE A 106 8.016 -3.703 4.070 1.00 0.00 C ATOM 1720 CG2 ILE A 106 7.129 -3.023 1.825 1.00 0.00 C ATOM 1721 CD1 ILE A 106 6.863 -4.646 4.347 1.00 0.00 C ATOM 0 H ILE A 106 8.623 -0.824 4.924 1.00 0.00 H new ATOM 0 HA ILE A 106 9.643 -2.130 2.502 1.00 0.00 H new ATOM 0 HB ILE A 106 6.832 -1.963 3.656 1.00 0.00 H new ATOM 0 HG12 ILE A 106 8.826 -4.260 3.599 1.00 0.00 H new ATOM 0 HG13 ILE A 106 8.399 -3.322 5.016 1.00 0.00 H new ATOM 0 HG21 ILE A 106 6.280 -3.689 1.979 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.819 -2.175 1.215 1.00 0.00 H new ATOM 0 HG23 ILE A 106 7.927 -3.564 1.316 1.00 0.00 H new ATOM 0 HD11 ILE A 106 7.204 -5.459 4.988 1.00 0.00 H new ATOM 0 HD12 ILE A 106 6.060 -4.103 4.846 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.494 -5.056 3.407 1.00 0.00 H new ATOM 1733 N ILE A 107 8.717 -0.485 0.834 1.00 0.00 N ATOM 1734 CA ILE A 107 8.335 0.545 -0.113 1.00 0.00 C ATOM 1735 C ILE A 107 7.311 -0.050 -1.062 1.00 0.00 C ATOM 1736 O ILE A 107 7.622 -0.959 -1.832 1.00 0.00 O ATOM 1737 CB ILE A 107 9.542 1.080 -0.915 1.00 0.00 C ATOM 1738 CG1 ILE A 107 10.601 1.655 0.030 1.00 0.00 C ATOM 1739 CG2 ILE A 107 9.088 2.139 -1.911 1.00 0.00 C ATOM 1740 CD1 ILE A 107 11.813 2.220 -0.682 1.00 0.00 C ATOM 0 H ILE A 107 9.226 -1.267 0.422 1.00 0.00 H new ATOM 0 HA ILE A 107 7.921 1.390 0.437 1.00 0.00 H new ATOM 0 HB ILE A 107 9.986 0.251 -1.467 1.00 0.00 H new ATOM 0 HG12 ILE A 107 10.147 2.440 0.634 1.00 0.00 H new ATOM 0 HG13 ILE A 107 10.926 0.873 0.716 1.00 0.00 H new ATOM 0 HG21 ILE A 107 9.949 2.507 -2.469 1.00 0.00 H new ATOM 0 HG22 ILE A 107 8.367 1.703 -2.602 1.00 0.00 H new ATOM 0 HG23 ILE A 107 8.622 2.966 -1.375 1.00 0.00 H new ATOM 0 HD11 ILE A 107 12.518 2.608 0.053 1.00 0.00 H new ATOM 0 HD12 ILE A 107 12.292 1.433 -1.265 1.00 0.00 H new ATOM 0 HD13 ILE A 107 11.502 3.025 -1.347 1.00 0.00 H new ATOM 1752 N CYS A 108 6.084 0.422 -0.974 1.00 0.00 N ATOM 1753 CA CYS A 108 5.003 -0.171 -1.731 1.00 0.00 C ATOM 1754 C CYS A 108 4.477 0.765 -2.811 1.00 0.00 C ATOM 1755 O CYS A 108 4.023 1.879 -2.529 1.00 0.00 O ATOM 1756 CB CYS A 108 3.875 -0.594 -0.786 1.00 0.00 C ATOM 1757 SG CYS A 108 3.383 0.672 0.409 1.00 0.00 S ATOM 0 H CYS A 108 5.812 1.211 -0.388 1.00 0.00 H new ATOM 0 HA CYS A 108 5.397 -1.051 -2.238 1.00 0.00 H new ATOM 0 HB2 CYS A 108 3.005 -0.872 -1.381 1.00 0.00 H new ATOM 0 HB3 CYS A 108 4.188 -1.486 -0.243 1.00 0.00 H new ATOM 0 HG CYS A 108 4.184 1.692 0.316 1.00 0.00 H new ATOM 1763 N THR A 109 4.576 0.314 -4.049 1.00 0.00 N ATOM 1764 CA THR A 109 3.945 0.990 -5.165 1.00 0.00 C ATOM 1765 C THR A 109 2.528 0.451 -5.318 1.00 0.00 C ATOM 1766 O THR A 109 2.325 -0.763 -5.355 1.00 0.00 O ATOM 1767 CB THR A 109 4.733 0.768 -6.472 1.00 0.00 C ATOM 1768 OG1 THR A 109 6.112 1.109 -6.274 1.00 0.00 O ATOM 1769 CG2 THR A 109 4.161 1.608 -7.605 1.00 0.00 C ATOM 0 H THR A 109 5.093 -0.526 -4.307 1.00 0.00 H new ATOM 0 HA THR A 109 3.927 2.062 -4.967 1.00 0.00 H new ATOM 0 HB THR A 109 4.649 -0.284 -6.744 1.00 0.00 H new ATOM 0 HG1 THR A 109 6.608 0.964 -7.107 1.00 0.00 H new ATOM 0 HG21 THR A 109 4.736 1.432 -8.514 1.00 0.00 H new ATOM 0 HG22 THR A 109 3.120 1.331 -7.774 1.00 0.00 H new ATOM 0 HG23 THR A 109 4.217 2.664 -7.339 1.00 0.00 H new ATOM 1777 N ASN A 110 1.555 1.336 -5.409 1.00 0.00 N ATOM 1778 CA ASN A 110 0.161 0.922 -5.374 1.00 0.00 C ATOM 1779 C ASN A 110 -0.535 1.310 -6.666 1.00 0.00 C ATOM 1780 O ASN A 110 -0.693 2.495 -6.962 1.00 0.00 O ATOM 1781 CB ASN A 110 -0.558 1.542 -4.173 1.00 0.00 C ATOM 1782 CG ASN A 110 0.085 1.165 -2.850 1.00 0.00 C ATOM 1783 OD1 ASN A 110 -0.256 0.150 -2.243 1.00 0.00 O ATOM 1784 ND2 ASN A 110 1.017 1.985 -2.393 1.00 0.00 N ATOM 0 H ASN A 110 1.699 2.341 -5.507 1.00 0.00 H new ATOM 0 HA ASN A 110 0.126 -0.162 -5.270 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -0.560 2.627 -4.276 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -1.599 1.220 -4.172 1.00 0.00 H new ATOM 0 HD21 ASN A 110 1.482 1.786 -1.507 1.00 0.00 H new ATOM 0 HD22 ASN A 110 1.271 2.816 -2.927 1.00 0.00 H new ATOM 1791 N THR A 111 -0.938 0.310 -7.433 1.00 0.00 N ATOM 1792 CA THR A 111 -1.553 0.526 -8.719 1.00 0.00 C ATOM 1793 C THR A 111 -3.012 0.098 -8.671 1.00 0.00 C ATOM 1794 O THR A 111 -3.324 -1.083 -8.508 1.00 0.00 O ATOM 1795 CB THR A 111 -0.825 -0.275 -9.818 1.00 0.00 C ATOM 1796 OG1 THR A 111 0.597 -0.187 -9.633 1.00 0.00 O ATOM 1797 CG2 THR A 111 -1.191 0.244 -11.203 1.00 0.00 C ATOM 0 H THR A 111 -0.845 -0.673 -7.175 1.00 0.00 H new ATOM 0 HA THR A 111 -1.485 1.588 -8.955 1.00 0.00 H new ATOM 0 HB THR A 111 -1.139 -1.316 -9.741 1.00 0.00 H new ATOM 0 HG1 THR A 111 0.895 0.728 -9.820 1.00 0.00 H new ATOM 0 HG21 THR A 111 -0.665 -0.337 -11.960 1.00 0.00 H new ATOM 0 HG22 THR A 111 -2.266 0.149 -11.355 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.904 1.292 -11.286 1.00 0.00 H new ATOM 1805 N ASN A 112 -3.894 1.061 -8.814 1.00 0.00 N ATOM 1806 CA ASN A 112 -5.324 0.815 -8.762 1.00 0.00 C ATOM 1807 C ASN A 112 -5.804 0.317 -10.125 1.00 0.00 C ATOM 1808 O ASN A 112 -5.643 0.999 -11.139 1.00 0.00 O ATOM 1809 CB ASN A 112 -6.019 2.116 -8.384 1.00 0.00 C ATOM 1810 CG ASN A 112 -7.535 2.057 -8.480 1.00 0.00 C ATOM 1811 OD1 ASN A 112 -8.181 3.019 -8.884 1.00 0.00 O ATOM 1812 ND2 ASN A 112 -8.116 0.941 -8.072 1.00 0.00 N ATOM 0 H ASN A 112 -3.644 2.038 -8.970 1.00 0.00 H new ATOM 0 HA ASN A 112 -5.558 0.052 -8.020 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -5.740 2.382 -7.365 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -5.655 2.913 -9.033 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -9.133 0.860 -8.087 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -7.547 0.161 -7.742 1.00 0.00 H new ATOM 1819 N VAL A 113 -6.378 -0.877 -10.142 1.00 0.00 N ATOM 1820 CA VAL A 113 -6.762 -1.527 -11.384 1.00 0.00 C ATOM 1821 C VAL A 113 -8.222 -1.199 -11.739 1.00 0.00 C ATOM 1822 O VAL A 113 -8.682 -0.077 -11.534 1.00 0.00 O ATOM 1823 CB VAL A 113 -6.555 -3.063 -11.297 1.00 0.00 C ATOM 1824 CG1 VAL A 113 -6.386 -3.675 -12.682 1.00 0.00 C ATOM 1825 CG2 VAL A 113 -5.355 -3.398 -10.419 1.00 0.00 C ATOM 0 H VAL A 113 -6.589 -1.418 -9.303 1.00 0.00 H new ATOM 0 HA VAL A 113 -6.119 -1.144 -12.176 1.00 0.00 H new ATOM 0 HB VAL A 113 -7.448 -3.493 -10.843 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.243 -4.752 -12.589 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -7.277 -3.478 -13.278 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.517 -3.234 -13.171 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -5.229 -4.480 -10.372 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.458 -2.946 -10.841 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.519 -3.008 -9.414 1.00 0.00 H new