USER MOD reduce.3.24.130724 H: found=0, std=0, add=994, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 995 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 17 SER OG : rot -123:sc= 1.25 USER MOD Set 1.2: A 98 MET CE :methyl -170:sc= -0.191 (180deg=-0.293) USER MOD Set 2.1: A 74 MET CE :methyl -170:sc= -0.524 (180deg=-0.651) USER MOD Set 2.2: A 77 SER OG : rot 41:sc= 0.0344 USER MOD Set 2.3: A 92 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.024) USER MOD Set 3.1: A 76 LYS NZ :NH3+ -153:sc= 0.399 (180deg=0.114) USER MOD Set 3.2: A 93 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 59 THR OG1 : rot 180:sc= -0.127 USER MOD Set 4.2: A 107 GLN : amide:sc= 0.326 K(o=0.99,f=-2.8) USER MOD Set 4.3: A 109 LYS NZ :NH3+ -107:sc= 0.787 (180deg=-0.279) USER MOD Set 5.1: A 28 THR OG1 : rot 180:sc= 0.174 USER MOD Set 5.2: A 31 GLN : amide:sc= -1.33 K(o=-1.2,f=0.17) USER MOD Set 6.1: A 11 GLN : amide:sc= -0.193 K(o=-0.19,f=-1) USER MOD Set 6.2: A 121 GLN : amide:sc=-0.00219 K(o=-0.19,f=-1.4) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 76:sc= 0.776 USER MOD Single : A 16 THR OG1 : rot 94:sc= 0.693 USER MOD Single : A 20 ASN : amide:sc= -0.342 K(o=-0.34,f=-6.7!) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0.00485 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0.563 K(o=0.56,f=-0.41) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= 0.402 K(o=0.4,f=-6.7!) USER MOD Single : A 42 LYS NZ :NH3+ -179:sc= 0.895 (180deg=0.893) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 161:sc= -1.05 (180deg=-2.68) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 62:sc= 0.944 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot -140:sc= 0.0172 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -2.18 X(o=-2.2,f=-2.2) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.0251 X(o=-0.025,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.0026 X(o=-0.0026,f=-0.26) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 105 SER OG : rot -170:sc= 0 USER MOD Single : A 112 SER OG : rot 145:sc= 1.28 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 154:sc= 1.26 (180deg=1.02) USER MOD ----------------------------------------------------------------- ATOM 33 N ALA A 4 -20.513 10.295 -0.705 1.00 0.00 N ATOM 34 CA ALA A 4 -19.670 9.145 -0.384 1.00 0.00 C ATOM 35 C ALA A 4 -19.601 8.173 -1.570 1.00 0.00 C ATOM 36 O ALA A 4 -20.160 7.071 -1.498 1.00 0.00 O ATOM 37 CB ALA A 4 -20.215 8.487 0.894 1.00 0.00 C ATOM 0 HA ALA A 4 -18.644 9.463 -0.198 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -19.599 7.625 1.151 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -20.192 9.207 1.712 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -21.242 8.162 0.726 1.00 0.00 H new ATOM 43 N LEU A 5 -18.963 8.550 -2.685 1.00 0.00 N ATOM 44 CA LEU A 5 -18.753 7.689 -3.818 1.00 0.00 C ATOM 45 C LEU A 5 -17.944 6.470 -3.407 1.00 0.00 C ATOM 46 O LEU A 5 -17.149 6.563 -2.469 1.00 0.00 O ATOM 47 CB LEU A 5 -17.983 8.471 -4.882 1.00 0.00 C ATOM 48 CG LEU A 5 -18.297 9.964 -4.947 1.00 0.00 C ATOM 49 CD1 LEU A 5 -19.783 10.291 -4.975 1.00 0.00 C ATOM 50 CD2 LEU A 5 -17.407 10.808 -4.050 1.00 0.00 C ATOM 0 H LEU A 5 -18.576 9.485 -2.811 1.00 0.00 H new ATOM 0 HA LEU A 5 -19.714 7.356 -4.209 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -16.916 8.348 -4.699 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -18.192 8.029 -5.856 1.00 0.00 H new ATOM 0 HG LEU A 5 -17.998 10.299 -5.940 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -19.917 11.372 -5.021 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -20.240 9.831 -5.851 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -20.258 9.905 -4.073 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -17.685 11.858 -4.146 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -17.531 10.493 -3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -16.366 10.680 -4.346 1.00 0.00 H new ATOM 62 N PRO A 6 -18.083 5.362 -4.137 1.00 0.00 N ATOM 63 CA PRO A 6 -17.207 4.228 -3.994 1.00 0.00 C ATOM 64 C PRO A 6 -15.850 4.533 -4.627 1.00 0.00 C ATOM 65 O PRO A 6 -15.716 5.354 -5.534 1.00 0.00 O ATOM 66 CB PRO A 6 -17.917 3.082 -4.701 1.00 0.00 C ATOM 67 CG PRO A 6 -18.668 3.794 -5.821 1.00 0.00 C ATOM 68 CD PRO A 6 -18.897 5.226 -5.325 1.00 0.00 C ATOM 0 HA PRO A 6 -17.008 3.978 -2.952 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -17.212 2.347 -5.089 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -18.595 2.551 -4.032 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -18.090 3.788 -6.745 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -19.615 3.298 -6.034 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -18.608 5.954 -6.083 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -19.950 5.399 -5.101 1.00 0.00 H new ATOM 76 N LEU A 7 -14.872 3.778 -4.156 1.00 0.00 N ATOM 77 CA LEU A 7 -13.439 3.829 -4.408 1.00 0.00 C ATOM 78 C LEU A 7 -13.050 4.008 -5.888 1.00 0.00 C ATOM 79 O LEU A 7 -12.877 3.036 -6.634 1.00 0.00 O ATOM 80 CB LEU A 7 -12.884 2.543 -3.806 1.00 0.00 C ATOM 81 CG LEU A 7 -11.385 2.312 -3.983 1.00 0.00 C ATOM 82 CD1 LEU A 7 -10.616 3.381 -3.215 1.00 0.00 C ATOM 83 CD2 LEU A 7 -11.089 0.911 -3.442 1.00 0.00 C ATOM 0 H LEU A 7 -15.090 3.021 -3.508 1.00 0.00 H new ATOM 0 HA LEU A 7 -13.009 4.720 -3.949 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -13.108 2.538 -2.739 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -13.416 1.700 -4.247 1.00 0.00 H new ATOM 0 HG LEU A 7 -11.080 2.379 -5.027 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.545 3.219 -3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.881 4.366 -3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.871 3.323 -2.157 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -10.025 0.698 -3.547 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.367 0.861 -2.389 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -11.664 0.175 -4.004 1.00 0.00 H new ATOM 95 N TYR A 8 -12.862 5.251 -6.309 1.00 0.00 N ATOM 96 CA TYR A 8 -12.643 5.622 -7.699 1.00 0.00 C ATOM 97 C TYR A 8 -11.163 5.638 -8.101 1.00 0.00 C ATOM 98 O TYR A 8 -10.858 6.004 -9.236 1.00 0.00 O ATOM 99 CB TYR A 8 -13.372 6.942 -7.998 1.00 0.00 C ATOM 100 CG TYR A 8 -13.164 8.087 -7.018 1.00 0.00 C ATOM 101 CD1 TYR A 8 -12.044 8.925 -7.135 1.00 0.00 C ATOM 102 CD2 TYR A 8 -14.149 8.372 -6.052 1.00 0.00 C ATOM 103 CE1 TYR A 8 -11.916 10.047 -6.297 1.00 0.00 C ATOM 104 CE2 TYR A 8 -14.034 9.492 -5.208 1.00 0.00 C ATOM 105 CZ TYR A 8 -12.899 10.336 -5.323 1.00 0.00 C ATOM 106 OH TYR A 8 -12.741 11.452 -4.553 1.00 0.00 O ATOM 0 H TYR A 8 -12.858 6.050 -5.675 1.00 0.00 H new ATOM 0 HA TYR A 8 -13.074 4.845 -8.330 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -13.063 7.283 -8.986 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -14.440 6.733 -8.052 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -11.281 8.708 -7.868 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -15.005 7.721 -5.958 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -11.058 10.695 -6.399 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -14.802 9.707 -4.480 1.00 0.00 H new ATOM 0 HH TYR A 8 -13.492 11.527 -3.927 1.00 0.00 H new ATOM 116 N TYR A 9 -10.240 5.258 -7.215 1.00 0.00 N ATOM 117 CA TYR A 9 -8.800 5.263 -7.461 1.00 0.00 C ATOM 118 C TYR A 9 -8.119 4.363 -6.459 1.00 0.00 C ATOM 119 O TYR A 9 -8.541 4.353 -5.302 1.00 0.00 O ATOM 120 CB TYR A 9 -8.294 6.676 -7.197 1.00 0.00 C ATOM 121 CG TYR A 9 -6.792 6.886 -7.218 1.00 0.00 C ATOM 122 CD1 TYR A 9 -6.130 7.174 -8.423 1.00 0.00 C ATOM 123 CD2 TYR A 9 -6.066 6.853 -6.013 1.00 0.00 C ATOM 124 CE1 TYR A 9 -4.765 7.500 -8.422 1.00 0.00 C ATOM 125 CE2 TYR A 9 -4.710 7.212 -5.995 1.00 0.00 C ATOM 126 CZ TYR A 9 -4.059 7.560 -7.200 1.00 0.00 C ATOM 127 OH TYR A 9 -2.748 7.929 -7.188 1.00 0.00 O ATOM 0 H TYR A 9 -10.483 4.929 -6.280 1.00 0.00 H new ATOM 0 HA TYR A 9 -8.595 4.931 -8.479 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -8.739 7.339 -7.939 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -8.666 6.992 -6.223 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -6.674 7.144 -9.355 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.555 6.550 -5.099 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -4.256 7.704 -9.352 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -4.165 7.222 -5.063 1.00 0.00 H new ATOM 0 HH TYR A 9 -2.414 7.919 -6.267 1.00 0.00 H new ATOM 137 N LEU A 10 -7.022 3.703 -6.847 1.00 0.00 N ATOM 138 CA LEU A 10 -6.226 2.945 -5.917 1.00 0.00 C ATOM 139 C LEU A 10 -4.767 3.108 -6.309 1.00 0.00 C ATOM 140 O LEU A 10 -4.411 3.050 -7.488 1.00 0.00 O ATOM 141 CB LEU A 10 -6.750 1.516 -6.010 1.00 0.00 C ATOM 142 CG LEU A 10 -6.330 0.418 -5.037 1.00 0.00 C ATOM 143 CD1 LEU A 10 -4.905 0.498 -4.543 1.00 0.00 C ATOM 144 CD2 LEU A 10 -7.165 0.172 -3.795 1.00 0.00 C ATOM 0 H LEU A 10 -6.677 3.688 -7.807 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.295 3.271 -4.879 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.837 1.580 -5.956 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.501 1.158 -7.009 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.490 -0.410 -5.727 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.710 -0.328 -3.858 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.222 0.436 -5.390 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.753 1.444 -4.023 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.726 -0.641 -3.216 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.190 1.077 -3.188 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.180 -0.098 -4.087 1.00 0.00 H new ATOM 156 N GLN A 11 -3.910 3.293 -5.309 1.00 0.00 N ATOM 157 CA GLN A 11 -2.475 3.421 -5.522 1.00 0.00 C ATOM 158 C GLN A 11 -1.746 3.073 -4.225 1.00 0.00 C ATOM 159 O GLN A 11 -2.166 3.504 -3.145 1.00 0.00 O ATOM 160 CB GLN A 11 -2.197 4.875 -5.927 1.00 0.00 C ATOM 161 CG GLN A 11 -0.798 5.100 -6.508 1.00 0.00 C ATOM 162 CD GLN A 11 -0.714 5.063 -8.033 1.00 0.00 C ATOM 163 OE1 GLN A 11 0.183 5.684 -8.594 1.00 0.00 O ATOM 164 NE2 GLN A 11 -1.577 4.315 -8.711 1.00 0.00 N ATOM 0 H GLN A 11 -4.192 3.358 -4.331 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.126 2.746 -6.303 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.939 5.185 -6.662 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.325 5.516 -5.055 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.430 6.066 -6.163 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.128 4.341 -6.105 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.313 3.810 -8.217 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.504 4.246 -9.726 1.00 0.00 H new ATOM 173 N ILE A 12 -0.627 2.345 -4.329 1.00 0.00 N ATOM 174 CA ILE A 12 0.228 2.085 -3.174 1.00 0.00 C ATOM 175 C ILE A 12 0.676 3.398 -2.514 1.00 0.00 C ATOM 176 O ILE A 12 0.692 3.434 -1.296 1.00 0.00 O ATOM 177 CB ILE A 12 1.427 1.156 -3.491 1.00 0.00 C ATOM 178 CG1 ILE A 12 1.042 -0.227 -4.089 1.00 0.00 C ATOM 179 CG2 ILE A 12 2.217 0.962 -2.188 1.00 0.00 C ATOM 180 CD1 ILE A 12 0.465 -1.255 -3.111 1.00 0.00 C ATOM 0 H ILE A 12 -0.297 1.929 -5.200 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.381 1.535 -2.456 1.00 0.00 H new ATOM 0 HB ILE A 12 2.017 1.640 -4.269 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.314 -0.065 -4.883 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.929 -0.658 -4.553 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.071 0.311 -2.374 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.569 1.929 -1.829 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.572 0.508 -1.436 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.236 -2.177 -3.645 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.194 -1.461 -2.328 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.447 -0.859 -2.663 1.00 0.00 H new ATOM 192 N THR A 13 0.926 4.475 -3.267 1.00 0.00 N ATOM 193 CA THR A 13 1.204 5.824 -2.761 1.00 0.00 C ATOM 194 C THR A 13 2.540 5.936 -2.004 1.00 0.00 C ATOM 195 O THR A 13 3.432 6.616 -2.511 1.00 0.00 O ATOM 196 CB THR A 13 -0.021 6.375 -2.007 1.00 0.00 C ATOM 197 OG1 THR A 13 -1.169 6.182 -2.820 1.00 0.00 O ATOM 198 CG2 THR A 13 0.093 7.868 -1.692 1.00 0.00 C ATOM 0 H THR A 13 0.941 4.429 -4.286 1.00 0.00 H new ATOM 0 HA THR A 13 1.361 6.481 -3.616 1.00 0.00 H new ATOM 0 HB THR A 13 -0.089 5.841 -1.059 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.434 5.239 -2.793 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.800 8.197 -1.161 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.971 8.043 -1.070 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.190 8.430 -2.621 1.00 0.00 H new ATOM 206 N GLY A 14 2.735 5.293 -0.848 1.00 0.00 N ATOM 207 CA GLY A 14 4.051 5.193 -0.220 1.00 0.00 C ATOM 208 C GLY A 14 4.253 3.829 0.425 1.00 0.00 C ATOM 209 O GLY A 14 3.293 3.114 0.730 1.00 0.00 O ATOM 0 H GLY A 14 1.990 4.831 -0.327 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.827 5.363 -0.967 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.157 5.973 0.533 1.00 0.00 H new ATOM 213 N ILE A 15 5.516 3.474 0.638 1.00 0.00 N ATOM 214 CA ILE A 15 5.963 2.151 1.040 1.00 0.00 C ATOM 215 C ILE A 15 7.240 2.321 1.852 1.00 0.00 C ATOM 216 O ILE A 15 8.049 3.196 1.558 1.00 0.00 O ATOM 217 CB ILE A 15 6.193 1.281 -0.218 1.00 0.00 C ATOM 218 CG1 ILE A 15 6.596 -0.159 0.152 1.00 0.00 C ATOM 219 CG2 ILE A 15 7.248 1.888 -1.168 1.00 0.00 C ATOM 220 CD1 ILE A 15 6.394 -1.141 -1.007 1.00 0.00 C ATOM 0 H ILE A 15 6.288 4.132 0.529 1.00 0.00 H new ATOM 0 HA ILE A 15 5.216 1.646 1.652 1.00 0.00 H new ATOM 0 HB ILE A 15 5.238 1.256 -0.743 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.642 -0.173 0.458 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.009 -0.488 1.009 1.00 0.00 H new ATOM 0 HG21 ILE A 15 7.373 1.240 -2.035 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.918 2.874 -1.496 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.199 1.980 -0.644 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.693 -2.141 -0.693 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.343 -1.151 -1.297 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.002 -0.831 -1.857 1.00 0.00 H new ATOM 232 N THR A 16 7.451 1.463 2.839 1.00 0.00 N ATOM 233 CA THR A 16 8.704 1.356 3.550 1.00 0.00 C ATOM 234 C THR A 16 8.746 -0.014 4.234 1.00 0.00 C ATOM 235 O THR A 16 7.899 -0.873 3.985 1.00 0.00 O ATOM 236 CB THR A 16 8.855 2.563 4.490 1.00 0.00 C ATOM 237 OG1 THR A 16 10.189 2.630 4.925 1.00 0.00 O ATOM 238 CG2 THR A 16 7.911 2.557 5.694 1.00 0.00 C ATOM 0 H THR A 16 6.739 0.812 3.170 1.00 0.00 H new ATOM 0 HA THR A 16 9.570 1.397 2.889 1.00 0.00 H new ATOM 0 HB THR A 16 8.576 3.445 3.913 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.692 3.238 4.344 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.089 3.445 6.300 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.878 2.556 5.346 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.093 1.666 6.294 1.00 0.00 H new ATOM 246 N SER A 17 9.733 -0.243 5.089 1.00 0.00 N ATOM 247 CA SER A 17 9.861 -1.439 5.893 1.00 0.00 C ATOM 248 C SER A 17 10.532 -1.063 7.214 1.00 0.00 C ATOM 249 O SER A 17 11.107 0.024 7.351 1.00 0.00 O ATOM 250 CB SER A 17 10.656 -2.478 5.100 1.00 0.00 C ATOM 251 OG SER A 17 10.679 -3.721 5.764 1.00 0.00 O ATOM 0 H SER A 17 10.489 0.424 5.243 1.00 0.00 H new ATOM 0 HA SER A 17 8.891 -1.878 6.127 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.214 -2.600 4.111 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.676 -2.123 4.952 1.00 0.00 H new ATOM 0 HG SER A 17 11.608 -3.992 5.919 1.00 0.00 H new ATOM 257 N ASP A 18 10.492 -1.985 8.170 1.00 0.00 N ATOM 258 CA ASP A 18 11.156 -1.879 9.467 1.00 0.00 C ATOM 259 C ASP A 18 12.667 -1.708 9.303 1.00 0.00 C ATOM 260 O ASP A 18 13.273 -0.888 9.991 1.00 0.00 O ATOM 261 CB ASP A 18 10.798 -3.114 10.296 1.00 0.00 C ATOM 262 CG ASP A 18 11.404 -3.120 11.704 1.00 0.00 C ATOM 263 OD1 ASP A 18 11.165 -2.169 12.475 1.00 0.00 O ATOM 264 OD2 ASP A 18 12.021 -4.151 12.070 1.00 0.00 O ATOM 0 H ASP A 18 9.978 -2.859 8.060 1.00 0.00 H new ATOM 0 HA ASP A 18 10.809 -0.989 9.992 1.00 0.00 H new ATOM 0 HB2 ASP A 18 9.713 -3.181 10.379 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.133 -4.005 9.764 1.00 0.00 H new ATOM 269 N GLY A 19 13.272 -2.382 8.316 1.00 0.00 N ATOM 270 CA GLY A 19 14.677 -2.209 7.960 1.00 0.00 C ATOM 271 C GLY A 19 15.001 -0.958 7.121 1.00 0.00 C ATOM 272 O GLY A 19 16.162 -0.783 6.749 1.00 0.00 O ATOM 0 H GLY A 19 12.789 -3.070 7.738 1.00 0.00 H new ATOM 0 HA2 GLY A 19 15.264 -2.171 8.878 1.00 0.00 H new ATOM 0 HA3 GLY A 19 15.005 -3.090 7.408 1.00 0.00 H new ATOM 276 N ASN A 20 14.030 -0.088 6.803 1.00 0.00 N ATOM 277 CA ASN A 20 14.220 1.008 5.838 1.00 0.00 C ATOM 278 C ASN A 20 14.313 2.381 6.497 1.00 0.00 C ATOM 279 O ASN A 20 14.180 3.395 5.813 1.00 0.00 O ATOM 280 CB ASN A 20 13.156 0.970 4.720 1.00 0.00 C ATOM 281 CG ASN A 20 13.639 0.084 3.587 1.00 0.00 C ATOM 282 OD1 ASN A 20 14.125 -1.011 3.836 1.00 0.00 O ATOM 283 ND2 ASN A 20 13.543 0.503 2.339 1.00 0.00 N ATOM 0 H ASN A 20 13.094 -0.123 7.206 1.00 0.00 H new ATOM 0 HA ASN A 20 15.191 0.840 5.372 1.00 0.00 H new ATOM 0 HB2 ASN A 20 12.213 0.591 5.114 1.00 0.00 H new ATOM 0 HB3 ASN A 20 12.966 1.978 4.351 1.00 0.00 H new ATOM 0 HD21 ASN A 20 13.875 -0.087 1.576 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.137 1.417 2.138 1.00 0.00 H new ATOM 290 N ASP A 21 14.517 2.454 7.816 1.00 0.00 N ATOM 291 CA ASP A 21 14.442 3.706 8.589 1.00 0.00 C ATOM 292 C ASP A 21 13.022 4.291 8.522 1.00 0.00 C ATOM 293 O ASP A 21 12.793 5.475 8.761 1.00 0.00 O ATOM 294 CB ASP A 21 15.529 4.701 8.137 1.00 0.00 C ATOM 295 CG ASP A 21 15.950 5.682 9.227 1.00 0.00 C ATOM 296 OD1 ASP A 21 15.263 6.691 9.485 1.00 0.00 O ATOM 297 OD2 ASP A 21 17.054 5.499 9.784 1.00 0.00 O ATOM 0 H ASP A 21 14.741 1.639 8.387 1.00 0.00 H new ATOM 0 HA ASP A 21 14.646 3.491 9.638 1.00 0.00 H new ATOM 0 HB2 ASP A 21 16.404 4.143 7.804 1.00 0.00 H new ATOM 0 HB3 ASP A 21 15.162 5.262 7.277 1.00 0.00 H new ATOM 302 N PHE A 22 12.044 3.449 8.161 1.00 0.00 N ATOM 303 CA PHE A 22 10.654 3.802 7.935 1.00 0.00 C ATOM 304 C PHE A 22 10.508 4.913 6.866 1.00 0.00 C ATOM 305 O PHE A 22 9.465 5.564 6.824 1.00 0.00 O ATOM 306 CB PHE A 22 9.950 4.094 9.283 1.00 0.00 C ATOM 307 CG PHE A 22 9.754 2.911 10.236 1.00 0.00 C ATOM 308 CD1 PHE A 22 10.839 2.126 10.685 1.00 0.00 C ATOM 309 CD2 PHE A 22 8.465 2.618 10.725 1.00 0.00 C ATOM 310 CE1 PHE A 22 10.631 1.043 11.558 1.00 0.00 C ATOM 311 CE2 PHE A 22 8.253 1.534 11.596 1.00 0.00 C ATOM 312 CZ PHE A 22 9.335 0.731 11.994 1.00 0.00 C ATOM 0 H PHE A 22 12.220 2.455 8.014 1.00 0.00 H new ATOM 0 HA PHE A 22 10.129 2.950 7.503 1.00 0.00 H new ATOM 0 HB2 PHE A 22 10.524 4.859 9.806 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.971 4.522 9.068 1.00 0.00 H new ATOM 0 HD1 PHE A 22 11.840 2.360 10.354 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.629 3.234 10.427 1.00 0.00 H new ATOM 0 HE1 PHE A 22 11.470 0.451 11.893 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.259 1.319 11.959 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.169 -0.123 12.633 1.00 0.00 H new ATOM 322 N ALA A 23 11.523 5.109 6.003 1.00 0.00 N ATOM 323 CA ALA A 23 11.546 6.036 4.875 1.00 0.00 C ATOM 324 C ALA A 23 10.434 5.692 3.877 1.00 0.00 C ATOM 325 O ALA A 23 10.575 4.705 3.150 1.00 0.00 O ATOM 326 CB ALA A 23 12.931 6.006 4.211 1.00 0.00 C ATOM 0 H ALA A 23 12.397 4.590 6.087 1.00 0.00 H new ATOM 0 HA ALA A 23 11.361 7.049 5.233 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.946 6.698 3.369 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.689 6.300 4.937 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.142 4.998 3.855 1.00 0.00 H new ATOM 332 N TRP A 24 9.333 6.452 3.908 1.00 0.00 N ATOM 333 CA TRP A 24 8.038 6.203 3.263 1.00 0.00 C ATOM 334 C TRP A 24 7.962 6.371 1.745 1.00 0.00 C ATOM 335 O TRP A 24 6.940 5.986 1.177 1.00 0.00 O ATOM 336 CB TRP A 24 7.003 7.146 3.903 1.00 0.00 C ATOM 337 CG TRP A 24 6.336 6.581 5.105 1.00 0.00 C ATOM 338 CD1 TRP A 24 6.449 7.013 6.377 1.00 0.00 C ATOM 339 CD2 TRP A 24 5.487 5.410 5.146 1.00 0.00 C ATOM 340 NE1 TRP A 24 5.687 6.205 7.200 1.00 0.00 N ATOM 341 CE2 TRP A 24 5.065 5.200 6.488 1.00 0.00 C ATOM 342 CE3 TRP A 24 5.060 4.493 4.168 1.00 0.00 C ATOM 343 CZ2 TRP A 24 4.231 4.128 6.837 1.00 0.00 C ATOM 344 CZ3 TRP A 24 4.257 3.400 4.511 1.00 0.00 C ATOM 345 CH2 TRP A 24 3.844 3.216 5.840 1.00 0.00 C ATOM 0 H TRP A 24 9.324 7.330 4.428 1.00 0.00 H new ATOM 0 HA TRP A 24 7.848 5.142 3.427 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.496 8.078 4.178 1.00 0.00 H new ATOM 0 HB3 TRP A 24 6.244 7.394 3.161 1.00 0.00 H new ATOM 0 HD1 TRP A 24 7.041 7.856 6.701 1.00 0.00 H new ATOM 0 HE1 TRP A 24 5.596 6.335 8.208 1.00 0.00 H new ATOM 0 HE3 TRP A 24 5.356 4.635 3.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 3.892 4.005 7.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 3.954 2.695 3.751 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.225 2.369 6.098 1.00 0.00 H new ATOM 356 N ASP A 25 8.956 7.018 1.138 1.00 0.00 N ATOM 357 CA ASP A 25 9.206 7.076 -0.311 1.00 0.00 C ATOM 358 C ASP A 25 7.928 7.281 -1.151 1.00 0.00 C ATOM 359 O ASP A 25 7.344 6.312 -1.635 1.00 0.00 O ATOM 360 CB ASP A 25 10.002 5.858 -0.805 1.00 0.00 C ATOM 361 CG ASP A 25 11.518 5.978 -0.669 1.00 0.00 C ATOM 362 OD1 ASP A 25 12.141 6.762 -1.418 1.00 0.00 O ATOM 363 OD2 ASP A 25 12.129 5.208 0.097 1.00 0.00 O ATOM 0 H ASP A 25 9.649 7.546 1.668 1.00 0.00 H new ATOM 0 HA ASP A 25 9.817 7.966 -0.462 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.671 4.979 -0.252 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.759 5.685 -1.853 1.00 0.00 H new ATOM 368 N ASN A 26 7.477 8.532 -1.347 1.00 0.00 N ATOM 369 CA ASN A 26 6.321 8.832 -2.199 1.00 0.00 C ATOM 370 C ASN A 26 6.533 8.310 -3.618 1.00 0.00 C ATOM 371 O ASN A 26 7.383 8.825 -4.353 1.00 0.00 O ATOM 372 CB ASN A 26 6.024 10.338 -2.252 1.00 0.00 C ATOM 373 CG ASN A 26 5.116 10.735 -1.108 1.00 0.00 C ATOM 374 OD1 ASN A 26 5.563 11.179 -0.052 1.00 0.00 O ATOM 375 ND2 ASN A 26 3.823 10.526 -1.248 1.00 0.00 N ATOM 0 H ASN A 26 7.902 9.356 -0.921 1.00 0.00 H new ATOM 0 HA ASN A 26 5.465 8.326 -1.752 1.00 0.00 H new ATOM 0 HB2 ASN A 26 6.956 10.901 -2.198 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.554 10.590 -3.203 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.187 10.733 -0.478 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.458 10.158 -2.126 1.00 0.00 H new ATOM 382 N LEU A 27 5.759 7.298 -4.000 1.00 0.00 N ATOM 383 CA LEU A 27 5.905 6.583 -5.255 1.00 0.00 C ATOM 384 C LEU A 27 5.260 7.374 -6.383 1.00 0.00 C ATOM 385 O LEU A 27 4.172 7.935 -6.229 1.00 0.00 O ATOM 386 CB LEU A 27 5.235 5.203 -5.161 1.00 0.00 C ATOM 387 CG LEU A 27 5.760 4.288 -4.044 1.00 0.00 C ATOM 388 CD1 LEU A 27 4.971 2.976 -4.076 1.00 0.00 C ATOM 389 CD2 LEU A 27 7.256 4.004 -4.191 1.00 0.00 C ATOM 0 H LEU A 27 4.993 6.946 -3.426 1.00 0.00 H new ATOM 0 HA LEU A 27 6.968 6.456 -5.459 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.164 5.347 -5.016 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.361 4.691 -6.115 1.00 0.00 H new ATOM 0 HG LEU A 27 5.623 4.794 -3.088 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.332 2.315 -3.288 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.913 3.184 -3.918 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.106 2.494 -5.044 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.584 3.354 -3.380 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.441 3.514 -5.147 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.810 4.942 -4.151 1.00 0.00 H new ATOM 401 N THR A 28 5.899 7.358 -7.544 1.00 0.00 N ATOM 402 CA THR A 28 5.429 8.017 -8.748 1.00 0.00 C ATOM 403 C THR A 28 4.100 7.427 -9.249 1.00 0.00 C ATOM 404 O THR A 28 3.789 6.255 -9.018 1.00 0.00 O ATOM 405 CB THR A 28 6.538 7.947 -9.821 1.00 0.00 C ATOM 406 OG1 THR A 28 7.581 7.027 -9.530 1.00 0.00 O ATOM 407 CG2 THR A 28 7.175 9.331 -9.958 1.00 0.00 C ATOM 0 H THR A 28 6.785 6.871 -7.675 1.00 0.00 H new ATOM 0 HA THR A 28 5.219 9.062 -8.523 1.00 0.00 H new ATOM 0 HB THR A 28 6.050 7.606 -10.734 1.00 0.00 H new ATOM 0 HG1 THR A 28 8.240 7.040 -10.255 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.961 9.297 -10.713 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.415 10.053 -10.257 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.604 9.631 -9.002 1.00 0.00 H new ATOM 415 N SER A 29 3.343 8.238 -9.992 1.00 0.00 N ATOM 416 CA SER A 29 2.020 7.915 -10.527 1.00 0.00 C ATOM 417 C SER A 29 2.017 6.740 -11.520 1.00 0.00 C ATOM 418 O SER A 29 0.950 6.251 -11.887 1.00 0.00 O ATOM 419 CB SER A 29 1.443 9.164 -11.203 1.00 0.00 C ATOM 420 OG SER A 29 1.635 10.323 -10.400 1.00 0.00 O ATOM 0 H SER A 29 3.649 9.177 -10.247 1.00 0.00 H new ATOM 0 HA SER A 29 1.405 7.597 -9.685 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.920 9.308 -12.173 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.379 9.020 -11.389 1.00 0.00 H new ATOM 0 HG SER A 29 1.259 11.104 -10.857 1.00 0.00 H new ATOM 426 N SER A 30 3.190 6.286 -11.968 1.00 0.00 N ATOM 427 CA SER A 30 3.355 5.094 -12.787 1.00 0.00 C ATOM 428 C SER A 30 4.608 4.321 -12.355 1.00 0.00 C ATOM 429 O SER A 30 5.295 3.733 -13.189 1.00 0.00 O ATOM 430 CB SER A 30 3.364 5.496 -14.266 1.00 0.00 C ATOM 431 OG SER A 30 4.463 6.327 -14.596 1.00 0.00 O ATOM 0 H SER A 30 4.073 6.754 -11.762 1.00 0.00 H new ATOM 0 HA SER A 30 2.517 4.412 -12.644 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.394 4.598 -14.883 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.436 6.015 -14.504 1.00 0.00 H new ATOM 0 HG SER A 30 4.426 6.555 -15.548 1.00 0.00 H new ATOM 437 N GLN A 31 4.953 4.371 -11.062 1.00 0.00 N ATOM 438 CA GLN A 31 6.010 3.535 -10.504 1.00 0.00 C ATOM 439 C GLN A 31 5.654 2.069 -10.788 1.00 0.00 C ATOM 440 O GLN A 31 4.486 1.686 -10.681 1.00 0.00 O ATOM 441 CB GLN A 31 6.121 3.789 -8.990 1.00 0.00 C ATOM 442 CG GLN A 31 7.395 3.250 -8.343 1.00 0.00 C ATOM 443 CD GLN A 31 8.522 4.265 -8.176 1.00 0.00 C ATOM 444 OE1 GLN A 31 9.421 4.383 -9.006 1.00 0.00 O ATOM 445 NE2 GLN A 31 8.501 4.993 -7.070 1.00 0.00 N ATOM 0 H GLN A 31 4.508 4.988 -10.383 1.00 0.00 H new ATOM 0 HA GLN A 31 6.973 3.771 -10.957 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.065 4.863 -8.811 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.260 3.338 -8.496 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.142 2.848 -7.362 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.764 2.418 -8.943 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.744 4.876 -6.397 1.00 0.00 H new ATOM 0 HE22 GLN A 31 9.242 5.671 -6.891 1.00 0.00 H new ATOM 454 N THR A 32 6.650 1.244 -11.101 1.00 0.00 N ATOM 455 CA THR A 32 6.471 -0.181 -11.386 1.00 0.00 C ATOM 456 C THR A 32 7.513 -1.052 -10.671 1.00 0.00 C ATOM 457 O THR A 32 7.528 -2.279 -10.835 1.00 0.00 O ATOM 458 CB THR A 32 6.440 -0.391 -12.908 1.00 0.00 C ATOM 459 OG1 THR A 32 7.530 0.249 -13.557 1.00 0.00 O ATOM 460 CG2 THR A 32 5.150 0.143 -13.514 1.00 0.00 C ATOM 0 H THR A 32 7.621 1.550 -11.165 1.00 0.00 H new ATOM 0 HA THR A 32 5.514 -0.511 -10.982 1.00 0.00 H new ATOM 0 HB THR A 32 6.509 -1.468 -13.064 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.475 0.090 -14.522 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.159 -0.021 -14.592 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.299 -0.378 -13.075 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.067 1.210 -13.310 1.00 0.00 H new ATOM 468 N LYS A 33 8.382 -0.433 -9.863 1.00 0.00 N ATOM 469 CA LYS A 33 9.370 -1.101 -9.021 1.00 0.00 C ATOM 470 C LYS A 33 9.694 -0.214 -7.823 1.00 0.00 C ATOM 471 O LYS A 33 9.395 0.978 -7.828 1.00 0.00 O ATOM 472 CB LYS A 33 10.629 -1.441 -9.851 1.00 0.00 C ATOM 473 CG LYS A 33 11.264 -2.778 -9.443 1.00 0.00 C ATOM 474 CD LYS A 33 12.470 -2.668 -8.499 1.00 0.00 C ATOM 475 CE LYS A 33 13.756 -2.400 -9.289 1.00 0.00 C ATOM 476 NZ LYS A 33 14.971 -2.600 -8.471 1.00 0.00 N ATOM 0 H LYS A 33 8.414 0.583 -9.778 1.00 0.00 H new ATOM 0 HA LYS A 33 8.968 -2.041 -8.644 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.364 -1.477 -10.908 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.363 -0.644 -9.733 1.00 0.00 H new ATOM 0 HG2 LYS A 33 10.502 -3.392 -8.963 1.00 0.00 H new ATOM 0 HG3 LYS A 33 11.576 -3.304 -10.345 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.304 -1.864 -7.782 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.575 -3.590 -7.926 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.792 -3.061 -10.155 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.740 -1.378 -9.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 15.814 -2.407 -9.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 14.953 -1.952 -7.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 15.002 -3.582 -8.130 1.00 0.00 H new ATOM 490 N ALA A 34 10.213 -0.810 -6.756 1.00 0.00 N ATOM 491 CA ALA A 34 10.439 -0.132 -5.496 1.00 0.00 C ATOM 492 C ALA A 34 11.528 0.934 -5.634 1.00 0.00 C ATOM 493 O ALA A 34 12.430 0.791 -6.457 1.00 0.00 O ATOM 494 CB ALA A 34 10.837 -1.159 -4.430 1.00 0.00 C ATOM 0 H ALA A 34 10.491 -1.791 -6.747 1.00 0.00 H new ATOM 0 HA ALA A 34 9.517 0.367 -5.197 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.008 -0.651 -3.481 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.037 -1.889 -4.312 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.750 -1.668 -4.738 1.00 0.00 H new ATOM 500 N PRO A 35 11.490 1.963 -4.776 1.00 0.00 N ATOM 501 CA PRO A 35 12.452 3.053 -4.781 1.00 0.00 C ATOM 502 C PRO A 35 13.852 2.613 -4.345 1.00 0.00 C ATOM 503 O PRO A 35 14.824 3.192 -4.814 1.00 0.00 O ATOM 504 CB PRO A 35 11.871 4.095 -3.813 1.00 0.00 C ATOM 505 CG PRO A 35 11.002 3.260 -2.876 1.00 0.00 C ATOM 506 CD PRO A 35 10.440 2.216 -3.812 1.00 0.00 C ATOM 0 HA PRO A 35 12.590 3.447 -5.788 1.00 0.00 H new ATOM 0 HB2 PRO A 35 12.656 4.622 -3.270 1.00 0.00 H new ATOM 0 HB3 PRO A 35 11.286 4.850 -4.338 1.00 0.00 H new ATOM 0 HG2 PRO A 35 11.584 2.814 -2.070 1.00 0.00 H new ATOM 0 HG3 PRO A 35 10.216 3.855 -2.410 1.00 0.00 H new ATOM 0 HD2 PRO A 35 10.173 1.307 -3.273 1.00 0.00 H new ATOM 0 HD3 PRO A 35 9.534 2.573 -4.302 1.00 0.00 H new ATOM 514 N ASN A 36 13.973 1.638 -3.434 1.00 0.00 N ATOM 515 CA ASN A 36 15.238 1.165 -2.887 1.00 0.00 C ATOM 516 C ASN A 36 14.994 -0.272 -2.405 1.00 0.00 C ATOM 517 O ASN A 36 13.848 -0.737 -2.395 1.00 0.00 O ATOM 518 CB ASN A 36 15.753 2.042 -1.715 1.00 0.00 C ATOM 519 CG ASN A 36 15.162 3.443 -1.582 1.00 0.00 C ATOM 520 OD1 ASN A 36 15.689 4.432 -2.088 1.00 0.00 O ATOM 521 ND2 ASN A 36 14.046 3.549 -0.885 1.00 0.00 N ATOM 0 H ASN A 36 13.166 1.147 -3.050 1.00 0.00 H new ATOM 0 HA ASN A 36 16.009 1.216 -3.656 1.00 0.00 H new ATOM 0 HB2 ASN A 36 15.566 1.506 -0.784 1.00 0.00 H new ATOM 0 HB3 ASN A 36 16.834 2.139 -1.815 1.00 0.00 H new ATOM 0 HD21 ASN A 36 13.608 4.461 -0.760 1.00 0.00 H new ATOM 0 HD22 ASN A 36 13.622 2.718 -0.472 1.00 0.00 H new ATOM 528 N VAL A 37 16.039 -0.963 -1.953 1.00 0.00 N ATOM 529 CA VAL A 37 15.931 -2.281 -1.341 1.00 0.00 C ATOM 530 C VAL A 37 15.138 -2.127 -0.029 1.00 0.00 C ATOM 531 O VAL A 37 15.554 -1.410 0.887 1.00 0.00 O ATOM 532 CB VAL A 37 17.332 -2.905 -1.142 1.00 0.00 C ATOM 533 CG1 VAL A 37 17.207 -4.397 -0.805 1.00 0.00 C ATOM 534 CG2 VAL A 37 18.214 -2.784 -2.400 1.00 0.00 C ATOM 0 H VAL A 37 16.997 -0.616 -2.004 1.00 0.00 H new ATOM 0 HA VAL A 37 15.394 -2.975 -1.988 1.00 0.00 H new ATOM 0 HB VAL A 37 17.799 -2.354 -0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 37 18.201 -4.823 -0.668 1.00 0.00 H new ATOM 0 HG12 VAL A 37 16.631 -4.516 0.113 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.700 -4.913 -1.621 1.00 0.00 H new ATOM 0 HG21 VAL A 37 19.186 -3.237 -2.208 1.00 0.00 H new ATOM 0 HG22 VAL A 37 17.733 -3.297 -3.233 1.00 0.00 H new ATOM 0 HG23 VAL A 37 18.347 -1.732 -2.651 1.00 0.00 H new ATOM 544 N LEU A 38 13.952 -2.734 0.027 1.00 0.00 N ATOM 545 CA LEU A 38 13.149 -2.891 1.235 1.00 0.00 C ATOM 546 C LEU A 38 13.745 -4.018 2.085 1.00 0.00 C ATOM 547 O LEU A 38 13.502 -5.199 1.843 1.00 0.00 O ATOM 548 CB LEU A 38 11.666 -3.146 0.918 1.00 0.00 C ATOM 549 CG LEU A 38 11.019 -2.157 -0.069 1.00 0.00 C ATOM 550 CD1 LEU A 38 9.539 -2.498 -0.226 1.00 0.00 C ATOM 551 CD2 LEU A 38 11.145 -0.687 0.345 1.00 0.00 C ATOM 0 H LEU A 38 13.511 -3.143 -0.797 1.00 0.00 H new ATOM 0 HA LEU A 38 13.178 -1.958 1.798 1.00 0.00 H new ATOM 0 HB2 LEU A 38 11.567 -4.153 0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.104 -3.121 1.851 1.00 0.00 H new ATOM 0 HG LEU A 38 11.561 -2.266 -1.008 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.077 -1.800 -0.924 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.438 -3.514 -0.608 1.00 0.00 H new ATOM 0 HD13 LEU A 38 9.044 -2.424 0.742 1.00 0.00 H new ATOM 0 HD21 LEU A 38 10.664 -0.056 -0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.662 -0.538 1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.199 -0.420 0.422 1.00 0.00 H new ATOM 563 N LYS A 39 14.566 -3.650 3.065 1.00 0.00 N ATOM 564 CA LYS A 39 15.163 -4.568 4.025 1.00 0.00 C ATOM 565 C LYS A 39 14.112 -5.069 5.011 1.00 0.00 C ATOM 566 O LYS A 39 13.006 -4.528 5.058 1.00 0.00 O ATOM 567 CB LYS A 39 16.314 -3.862 4.756 1.00 0.00 C ATOM 568 CG LYS A 39 17.319 -3.235 3.784 1.00 0.00 C ATOM 569 CD LYS A 39 18.583 -2.782 4.516 1.00 0.00 C ATOM 570 CE LYS A 39 19.262 -1.734 3.639 1.00 0.00 C ATOM 571 NZ LYS A 39 20.521 -1.221 4.208 1.00 0.00 N ATOM 0 H LYS A 39 14.840 -2.679 3.215 1.00 0.00 H new ATOM 0 HA LYS A 39 15.561 -5.435 3.498 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.908 -3.087 5.406 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.829 -4.578 5.396 1.00 0.00 H new ATOM 0 HG2 LYS A 39 17.582 -3.957 3.011 1.00 0.00 H new ATOM 0 HG3 LYS A 39 16.861 -2.383 3.281 1.00 0.00 H new ATOM 0 HD2 LYS A 39 18.334 -2.364 5.491 1.00 0.00 H new ATOM 0 HD3 LYS A 39 19.249 -3.627 4.692 1.00 0.00 H new ATOM 0 HE2 LYS A 39 19.465 -2.167 2.659 1.00 0.00 H new ATOM 0 HE3 LYS A 39 18.576 -0.901 3.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 20.930 -0.514 3.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 20.331 -0.780 5.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 21.192 -2.006 4.331 1.00 0.00 H new ATOM 585 N GLY A 40 14.445 -6.017 5.888 1.00 0.00 N ATOM 586 CA GLY A 40 13.456 -6.520 6.838 1.00 0.00 C ATOM 587 C GLY A 40 12.426 -7.420 6.144 1.00 0.00 C ATOM 588 O GLY A 40 12.594 -7.824 4.989 1.00 0.00 O ATOM 0 H GLY A 40 15.369 -6.443 5.960 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.958 -7.079 7.627 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.948 -5.682 7.315 1.00 0.00 H new ATOM 592 N ASN A 41 11.330 -7.723 6.843 1.00 0.00 N ATOM 593 CA ASN A 41 10.173 -8.440 6.300 1.00 0.00 C ATOM 594 C ASN A 41 8.852 -7.712 6.536 1.00 0.00 C ATOM 595 O ASN A 41 7.885 -7.973 5.820 1.00 0.00 O ATOM 596 CB ASN A 41 10.086 -9.844 6.905 1.00 0.00 C ATOM 597 CG ASN A 41 9.081 -10.714 6.153 1.00 0.00 C ATOM 598 OD1 ASN A 41 9.226 -10.915 4.949 1.00 0.00 O ATOM 599 ND2 ASN A 41 8.066 -11.256 6.806 1.00 0.00 N ATOM 0 H ASN A 41 11.219 -7.471 7.825 1.00 0.00 H new ATOM 0 HA ASN A 41 10.328 -8.498 5.223 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.069 -10.315 6.878 1.00 0.00 H new ATOM 0 HB3 ASN A 41 9.795 -9.773 7.953 1.00 0.00 H new ATOM 0 HD21 ASN A 41 7.397 -11.845 6.310 1.00 0.00 H new ATOM 0 HD22 ASN A 41 7.952 -11.085 7.805 1.00 0.00 H new ATOM 606 N LYS A 42 8.781 -6.829 7.537 1.00 0.00 N ATOM 607 CA LYS A 42 7.558 -6.111 7.875 1.00 0.00 C ATOM 608 C LYS A 42 7.397 -4.934 6.934 1.00 0.00 C ATOM 609 O LYS A 42 7.895 -3.836 7.172 1.00 0.00 O ATOM 610 CB LYS A 42 7.541 -5.694 9.350 1.00 0.00 C ATOM 611 CG LYS A 42 7.527 -6.886 10.321 1.00 0.00 C ATOM 612 CD LYS A 42 6.326 -7.806 10.071 1.00 0.00 C ATOM 613 CE LYS A 42 6.115 -8.790 11.222 1.00 0.00 C ATOM 614 NZ LYS A 42 4.786 -9.419 11.120 1.00 0.00 N ATOM 0 H LYS A 42 9.574 -6.595 8.134 1.00 0.00 H new ATOM 0 HA LYS A 42 6.701 -6.772 7.745 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.416 -5.077 9.556 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.664 -5.074 9.535 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.450 -7.455 10.212 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.497 -6.519 11.347 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.428 -7.203 9.939 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.478 -8.358 9.144 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.890 -9.556 11.201 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.207 -8.270 12.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.649 -10.072 11.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.051 -8.684 11.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.719 -9.946 10.226 1.00 0.00 H new ATOM 628 N LEU A 43 6.700 -5.221 5.847 1.00 0.00 N ATOM 629 CA LEU A 43 6.367 -4.314 4.778 1.00 0.00 C ATOM 630 C LEU A 43 5.309 -3.358 5.307 1.00 0.00 C ATOM 631 O LEU A 43 4.219 -3.788 5.707 1.00 0.00 O ATOM 632 CB LEU A 43 5.830 -5.124 3.584 1.00 0.00 C ATOM 633 CG LEU A 43 6.337 -4.633 2.228 1.00 0.00 C ATOM 634 CD1 LEU A 43 5.633 -5.388 1.100 1.00 0.00 C ATOM 635 CD2 LEU A 43 6.104 -3.148 2.025 1.00 0.00 C ATOM 0 H LEU A 43 6.331 -6.158 5.684 1.00 0.00 H new ATOM 0 HA LEU A 43 7.237 -3.750 4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.112 -6.169 3.710 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.741 -5.084 3.590 1.00 0.00 H new ATOM 0 HG LEU A 43 7.411 -4.819 2.210 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.001 -5.031 0.138 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.837 -6.455 1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.558 -5.217 1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.482 -2.851 1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.036 -2.936 2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.626 -2.588 2.801 1.00 0.00 H new ATOM 647 N TYR A 44 5.595 -2.062 5.281 1.00 0.00 N ATOM 648 CA TYR A 44 4.657 -1.031 5.683 1.00 0.00 C ATOM 649 C TYR A 44 4.244 -0.265 4.443 1.00 0.00 C ATOM 650 O TYR A 44 5.082 0.221 3.690 1.00 0.00 O ATOM 651 CB TYR A 44 5.297 -0.130 6.739 1.00 0.00 C ATOM 652 CG TYR A 44 5.755 -0.873 7.975 1.00 0.00 C ATOM 653 CD1 TYR A 44 4.903 -1.806 8.599 1.00 0.00 C ATOM 654 CD2 TYR A 44 7.047 -0.653 8.485 1.00 0.00 C ATOM 655 CE1 TYR A 44 5.350 -2.533 9.709 1.00 0.00 C ATOM 656 CE2 TYR A 44 7.481 -1.351 9.622 1.00 0.00 C ATOM 657 CZ TYR A 44 6.636 -2.297 10.237 1.00 0.00 C ATOM 658 OH TYR A 44 7.041 -2.971 11.342 1.00 0.00 O ATOM 0 H TYR A 44 6.497 -1.697 4.976 1.00 0.00 H new ATOM 0 HA TYR A 44 3.766 -1.463 6.138 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.151 0.383 6.297 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.581 0.638 7.032 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.903 -1.961 8.220 1.00 0.00 H new ATOM 0 HD2 TYR A 44 7.705 0.053 8.001 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.709 -3.275 10.161 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.464 -1.163 10.027 1.00 0.00 H new ATOM 0 HH TYR A 44 7.951 -2.695 11.578 1.00 0.00 H new ATOM 668 N VAL A 45 2.942 -0.170 4.216 1.00 0.00 N ATOM 669 CA VAL A 45 2.361 0.519 3.077 1.00 0.00 C ATOM 670 C VAL A 45 1.426 1.603 3.621 1.00 0.00 C ATOM 671 O VAL A 45 0.847 1.417 4.697 1.00 0.00 O ATOM 672 CB VAL A 45 1.679 -0.522 2.174 1.00 0.00 C ATOM 673 CG1 VAL A 45 1.242 0.155 0.898 1.00 0.00 C ATOM 674 CG2 VAL A 45 2.647 -1.646 1.776 1.00 0.00 C ATOM 0 H VAL A 45 2.244 -0.581 4.836 1.00 0.00 H new ATOM 0 HA VAL A 45 3.101 1.020 2.453 1.00 0.00 H new ATOM 0 HB VAL A 45 0.840 -0.943 2.728 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.756 -0.573 0.248 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.541 0.956 1.133 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.112 0.571 0.390 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.130 -2.363 1.138 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.493 -1.223 1.235 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.006 -2.151 2.673 1.00 0.00 H new ATOM 684 N LYS A 46 1.287 2.715 2.891 1.00 0.00 N ATOM 685 CA LYS A 46 0.431 3.861 3.186 1.00 0.00 C ATOM 686 C LYS A 46 -0.380 4.102 1.924 1.00 0.00 C ATOM 687 O LYS A 46 0.102 4.806 1.041 1.00 0.00 O ATOM 688 CB LYS A 46 1.309 5.077 3.549 1.00 0.00 C ATOM 689 CG LYS A 46 0.491 6.344 3.863 1.00 0.00 C ATOM 690 CD LYS A 46 0.601 7.507 2.866 1.00 0.00 C ATOM 691 CE LYS A 46 2.013 8.090 2.836 1.00 0.00 C ATOM 692 NZ LYS A 46 2.079 9.343 2.052 1.00 0.00 N ATOM 0 H LYS A 46 1.805 2.843 2.022 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.231 3.689 4.035 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.925 4.827 4.413 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.988 5.286 2.722 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.559 6.060 3.938 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.794 6.709 4.844 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.329 7.160 1.869 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.110 8.288 3.137 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.348 8.282 3.855 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.698 7.358 2.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.054 9.705 2.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.785 9.155 1.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.445 10.051 2.475 1.00 0.00 H new ATOM 706 N ALA A 47 -1.518 3.418 1.786 1.00 0.00 N ATOM 707 CA ALA A 47 -2.185 3.267 0.504 1.00 0.00 C ATOM 708 C ALA A 47 -3.394 4.195 0.436 1.00 0.00 C ATOM 709 O ALA A 47 -4.283 4.118 1.285 1.00 0.00 O ATOM 710 CB ALA A 47 -2.522 1.787 0.284 1.00 0.00 C ATOM 0 H ALA A 47 -1.996 2.957 2.560 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.532 3.565 -0.316 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.023 1.667 -0.677 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.604 1.200 0.290 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.179 1.441 1.082 1.00 0.00 H new ATOM 716 N ARG A 48 -3.487 5.019 -0.613 1.00 0.00 N ATOM 717 CA ARG A 48 -4.521 6.055 -0.692 1.00 0.00 C ATOM 718 C ARG A 48 -5.766 5.485 -1.331 1.00 0.00 C ATOM 719 O ARG A 48 -5.665 4.960 -2.437 1.00 0.00 O ATOM 720 CB ARG A 48 -4.031 7.274 -1.484 1.00 0.00 C ATOM 721 CG ARG A 48 -5.157 8.320 -1.592 1.00 0.00 C ATOM 722 CD ARG A 48 -4.622 9.724 -1.862 1.00 0.00 C ATOM 723 NE ARG A 48 -3.883 9.812 -3.128 1.00 0.00 N ATOM 724 CZ ARG A 48 -3.839 10.841 -3.982 1.00 0.00 C ATOM 725 NH1 ARG A 48 -4.671 11.868 -3.855 1.00 0.00 N ATOM 726 NH2 ARG A 48 -2.938 10.830 -4.956 1.00 0.00 N ATOM 0 H ARG A 48 -2.860 4.989 -1.417 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.751 6.386 0.321 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -3.162 7.712 -0.992 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.712 6.967 -2.480 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -5.840 8.034 -2.392 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.734 8.325 -0.667 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.454 10.428 -1.881 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.969 10.024 -1.043 1.00 0.00 H new ATOM 0 HE ARG A 48 -3.338 8.990 -3.387 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.355 11.879 -3.099 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.626 12.645 -4.514 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -2.293 10.045 -5.045 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -2.891 11.606 -5.616 1.00 0.00 H new ATOM 740 N PHE A 49 -6.917 5.640 -0.682 1.00 0.00 N ATOM 741 CA PHE A 49 -8.224 5.177 -1.143 1.00 0.00 C ATOM 742 C PHE A 49 -9.067 6.415 -1.380 1.00 0.00 C ATOM 743 O PHE A 49 -9.358 7.117 -0.413 1.00 0.00 O ATOM 744 CB PHE A 49 -8.847 4.195 -0.124 1.00 0.00 C ATOM 745 CG PHE A 49 -8.126 2.861 0.075 1.00 0.00 C ATOM 746 CD1 PHE A 49 -7.045 2.796 0.969 1.00 0.00 C ATOM 747 CD2 PHE A 49 -8.504 1.686 -0.614 1.00 0.00 C ATOM 748 CE1 PHE A 49 -6.348 1.590 1.174 1.00 0.00 C ATOM 749 CE2 PHE A 49 -7.875 0.459 -0.339 1.00 0.00 C ATOM 750 CZ PHE A 49 -6.790 0.408 0.552 1.00 0.00 C ATOM 0 H PHE A 49 -6.967 6.113 0.220 1.00 0.00 H new ATOM 0 HA PHE A 49 -8.151 4.611 -2.072 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -8.904 4.698 0.841 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -9.870 3.985 -0.436 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.744 3.683 1.507 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -9.284 1.731 -1.359 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.474 1.572 1.809 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -8.226 -0.445 -0.813 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.299 -0.532 0.758 1.00 0.00 H new ATOM 760 N MET A 50 -9.347 6.749 -2.648 1.00 0.00 N ATOM 761 CA MET A 50 -10.158 7.913 -2.982 1.00 0.00 C ATOM 762 C MET A 50 -11.583 7.406 -3.125 1.00 0.00 C ATOM 763 O MET A 50 -11.873 6.672 -4.068 1.00 0.00 O ATOM 764 CB MET A 50 -9.726 8.627 -4.276 1.00 0.00 C ATOM 765 CG MET A 50 -8.219 8.833 -4.437 1.00 0.00 C ATOM 766 SD MET A 50 -7.549 10.428 -3.910 1.00 0.00 S ATOM 767 CE MET A 50 -8.186 10.487 -2.222 1.00 0.00 C ATOM 0 H MET A 50 -9.019 6.222 -3.458 1.00 0.00 H new ATOM 0 HA MET A 50 -10.045 8.659 -2.195 1.00 0.00 H new ATOM 0 HB2 MET A 50 -10.091 8.052 -5.128 1.00 0.00 H new ATOM 0 HB3 MET A 50 -10.215 9.600 -4.315 1.00 0.00 H new ATOM 0 HG2 MET A 50 -7.708 8.049 -3.878 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.968 8.690 -5.488 1.00 0.00 H new ATOM 0 HE1 MET A 50 -7.613 11.210 -1.642 1.00 0.00 H new ATOM 0 HE2 MET A 50 -9.235 10.784 -2.239 1.00 0.00 H new ATOM 0 HE3 MET A 50 -8.096 9.502 -1.764 1.00 0.00 H new ATOM 777 N GLY A 51 -12.443 7.738 -2.172 1.00 0.00 N ATOM 778 CA GLY A 51 -13.804 7.208 -2.090 1.00 0.00 C ATOM 779 C GLY A 51 -13.902 6.061 -1.090 1.00 0.00 C ATOM 780 O GLY A 51 -12.895 5.490 -0.660 1.00 0.00 O ATOM 0 H GLY A 51 -12.215 8.391 -1.423 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -14.488 8.005 -1.798 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -14.120 6.861 -3.074 1.00 0.00 H new ATOM 784 N TYR A 52 -15.131 5.740 -0.689 1.00 0.00 N ATOM 785 CA TYR A 52 -15.420 4.764 0.352 1.00 0.00 C ATOM 786 C TYR A 52 -15.088 3.362 -0.131 1.00 0.00 C ATOM 787 O TYR A 52 -15.444 3.005 -1.255 1.00 0.00 O ATOM 788 CB TYR A 52 -16.898 4.839 0.770 1.00 0.00 C ATOM 789 CG TYR A 52 -17.080 5.362 2.178 1.00 0.00 C ATOM 790 CD1 TYR A 52 -16.988 4.489 3.279 1.00 0.00 C ATOM 791 CD2 TYR A 52 -17.301 6.733 2.392 1.00 0.00 C ATOM 792 CE1 TYR A 52 -17.153 4.980 4.584 1.00 0.00 C ATOM 793 CE2 TYR A 52 -17.446 7.237 3.694 1.00 0.00 C ATOM 794 CZ TYR A 52 -17.385 6.357 4.797 1.00 0.00 C ATOM 795 OH TYR A 52 -17.545 6.843 6.056 1.00 0.00 O ATOM 0 H TYR A 52 -15.969 6.162 -1.089 1.00 0.00 H new ATOM 0 HA TYR A 52 -14.801 4.996 1.218 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -17.436 5.484 0.075 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -17.344 3.847 0.695 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -16.790 3.439 3.119 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -17.360 7.404 1.548 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -17.103 4.305 5.425 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -17.604 8.294 3.852 1.00 0.00 H new ATOM 0 HH TYR A 52 -17.694 7.811 6.017 1.00 0.00 H new ATOM 805 N THR A 53 -14.470 2.562 0.745 1.00 0.00 N ATOM 806 CA THR A 53 -14.261 1.120 0.714 1.00 0.00 C ATOM 807 C THR A 53 -13.519 0.715 1.989 1.00 0.00 C ATOM 808 O THR A 53 -12.353 1.072 2.181 1.00 0.00 O ATOM 809 CB THR A 53 -13.498 0.698 -0.553 1.00 0.00 C ATOM 810 OG1 THR A 53 -14.371 0.716 -1.655 1.00 0.00 O ATOM 811 CG2 THR A 53 -12.880 -0.692 -0.498 1.00 0.00 C ATOM 0 H THR A 53 -14.059 2.962 1.588 1.00 0.00 H new ATOM 0 HA THR A 53 -15.221 0.604 0.679 1.00 0.00 H new ATOM 0 HB THR A 53 -12.683 1.416 -0.640 1.00 0.00 H new ATOM 0 HG1 THR A 53 -14.700 1.628 -1.797 1.00 0.00 H new ATOM 0 HG21 THR A 53 -12.364 -0.898 -1.436 1.00 0.00 H new ATOM 0 HG22 THR A 53 -12.168 -0.741 0.326 1.00 0.00 H new ATOM 0 HG23 THR A 53 -13.664 -1.433 -0.345 1.00 0.00 H new ATOM 819 N LYS A 54 -14.171 -0.097 2.824 1.00 0.00 N ATOM 820 CA LYS A 54 -13.550 -0.854 3.915 1.00 0.00 C ATOM 821 C LYS A 54 -13.450 -2.348 3.547 1.00 0.00 C ATOM 822 O LYS A 54 -13.642 -3.223 4.389 1.00 0.00 O ATOM 823 CB LYS A 54 -14.323 -0.591 5.227 1.00 0.00 C ATOM 824 CG LYS A 54 -14.155 0.851 5.750 1.00 0.00 C ATOM 825 CD LYS A 54 -15.378 1.747 5.502 1.00 0.00 C ATOM 826 CE LYS A 54 -16.566 1.428 6.425 1.00 0.00 C ATOM 827 NZ LYS A 54 -16.375 1.882 7.821 1.00 0.00 N ATOM 0 H LYS A 54 -15.177 -0.251 2.758 1.00 0.00 H new ATOM 0 HA LYS A 54 -12.526 -0.517 4.075 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -15.382 -0.791 5.064 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -13.980 -1.290 5.990 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.952 0.818 6.820 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -13.284 1.301 5.274 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -15.090 2.789 5.640 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -15.694 1.639 4.465 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -17.464 1.895 6.020 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -16.737 0.352 6.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -17.213 1.634 8.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -15.536 1.418 8.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -16.241 2.913 7.835 1.00 0.00 H new ATOM 841 N LEU A 55 -13.227 -2.663 2.263 1.00 0.00 N ATOM 842 CA LEU A 55 -13.266 -4.018 1.703 1.00 0.00 C ATOM 843 C LEU A 55 -12.014 -4.258 0.847 1.00 0.00 C ATOM 844 O LEU A 55 -12.088 -4.523 -0.352 1.00 0.00 O ATOM 845 CB LEU A 55 -14.572 -4.263 0.915 1.00 0.00 C ATOM 846 CG LEU A 55 -15.838 -4.286 1.798 1.00 0.00 C ATOM 847 CD1 LEU A 55 -16.546 -2.926 1.850 1.00 0.00 C ATOM 848 CD2 LEU A 55 -16.835 -5.323 1.290 1.00 0.00 C ATOM 0 H LEU A 55 -13.007 -1.955 1.563 1.00 0.00 H new ATOM 0 HA LEU A 55 -13.262 -4.742 2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -14.681 -3.484 0.160 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -14.493 -5.212 0.385 1.00 0.00 H new ATOM 0 HG LEU A 55 -15.498 -4.541 2.802 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -17.429 -3.000 2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -15.867 -2.178 2.259 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -16.846 -2.633 0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -17.719 -5.321 1.928 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -17.125 -5.079 0.268 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.375 -6.311 1.311 1.00 0.00 H new ATOM 860 N THR A 56 -10.842 -4.111 1.461 1.00 0.00 N ATOM 861 CA THR A 56 -9.551 -4.438 0.861 1.00 0.00 C ATOM 862 C THR A 56 -9.382 -5.968 0.775 1.00 0.00 C ATOM 863 O THR A 56 -9.971 -6.692 1.582 1.00 0.00 O ATOM 864 CB THR A 56 -8.437 -3.798 1.723 1.00 0.00 C ATOM 865 OG1 THR A 56 -8.862 -2.556 2.277 1.00 0.00 O ATOM 866 CG2 THR A 56 -7.187 -3.533 0.891 1.00 0.00 C ATOM 0 H THR A 56 -10.762 -3.752 2.413 1.00 0.00 H new ATOM 0 HA THR A 56 -9.491 -4.043 -0.153 1.00 0.00 H new ATOM 0 HB THR A 56 -8.215 -4.505 2.522 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.123 -1.913 2.243 1.00 0.00 H new ATOM 0 HG21 THR A 56 -6.419 -3.083 1.521 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.816 -4.473 0.482 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.431 -2.853 0.074 1.00 0.00 H new ATOM 874 N VAL A 57 -8.537 -6.453 -0.140 1.00 0.00 N ATOM 875 CA VAL A 57 -8.112 -7.843 -0.306 1.00 0.00 C ATOM 876 C VAL A 57 -6.625 -7.819 -0.704 1.00 0.00 C ATOM 877 O VAL A 57 -6.145 -6.843 -1.291 1.00 0.00 O ATOM 878 CB VAL A 57 -8.984 -8.525 -1.393 1.00 0.00 C ATOM 879 CG1 VAL A 57 -8.591 -9.992 -1.651 1.00 0.00 C ATOM 880 CG2 VAL A 57 -10.480 -8.464 -1.045 1.00 0.00 C ATOM 0 H VAL A 57 -8.103 -5.841 -0.831 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.235 -8.415 0.614 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.797 -7.957 -2.304 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.238 -10.412 -2.421 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.554 -10.038 -1.984 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.703 -10.566 -0.731 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.057 -8.952 -1.831 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.654 -8.973 -0.097 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.792 -7.423 -0.960 1.00 0.00 H new ATOM 890 N ILE A 58 -5.888 -8.893 -0.407 1.00 0.00 N ATOM 891 CA ILE A 58 -4.527 -9.151 -0.874 1.00 0.00 C ATOM 892 C ILE A 58 -4.465 -10.672 -1.067 1.00 0.00 C ATOM 893 O ILE A 58 -4.698 -11.389 -0.097 1.00 0.00 O ATOM 894 CB ILE A 58 -3.457 -8.662 0.143 1.00 0.00 C ATOM 895 CG1 ILE A 58 -3.700 -7.231 0.683 1.00 0.00 C ATOM 896 CG2 ILE A 58 -2.063 -8.745 -0.509 1.00 0.00 C ATOM 897 CD1 ILE A 58 -2.693 -6.781 1.749 1.00 0.00 C ATOM 0 H ILE A 58 -6.242 -9.639 0.193 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.307 -8.608 -1.793 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.528 -9.322 1.008 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.667 -6.530 -0.151 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.704 -7.179 1.103 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.309 -8.403 0.200 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.854 -9.777 -0.791 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.039 -8.114 -1.397 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.934 -5.769 2.073 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.741 -7.457 2.603 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.687 -6.797 1.329 1.00 0.00 H new ATOM 909 N THR A 59 -4.242 -11.166 -2.286 1.00 0.00 N ATOM 910 CA THR A 59 -4.346 -12.583 -2.637 1.00 0.00 C ATOM 911 C THR A 59 -3.128 -13.411 -2.171 1.00 0.00 C ATOM 912 O THR A 59 -3.233 -14.628 -2.004 1.00 0.00 O ATOM 913 CB THR A 59 -4.532 -12.699 -4.167 1.00 0.00 C ATOM 914 OG1 THR A 59 -5.046 -11.509 -4.754 1.00 0.00 O ATOM 915 CG2 THR A 59 -5.516 -13.794 -4.557 1.00 0.00 C ATOM 0 H THR A 59 -3.978 -10.577 -3.076 1.00 0.00 H new ATOM 0 HA THR A 59 -5.207 -12.999 -2.115 1.00 0.00 H new ATOM 0 HB THR A 59 -3.528 -12.917 -4.531 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.142 -11.636 -5.721 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.608 -13.831 -5.642 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.155 -14.755 -4.191 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.490 -13.581 -4.117 1.00 0.00 H new ATOM 923 N GLY A 60 -1.978 -12.768 -1.932 1.00 0.00 N ATOM 924 CA GLY A 60 -0.775 -13.456 -1.473 1.00 0.00 C ATOM 925 C GLY A 60 -0.237 -14.426 -2.514 1.00 0.00 C ATOM 926 O GLY A 60 -0.319 -14.145 -3.710 1.00 0.00 O ATOM 0 H GLY A 60 -1.860 -11.762 -2.052 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.007 -12.721 -1.232 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.997 -13.998 -0.554 1.00 0.00 H new ATOM 930 N LYS A 61 0.384 -15.509 -2.044 1.00 0.00 N ATOM 931 CA LYS A 61 0.853 -16.646 -2.835 1.00 0.00 C ATOM 932 C LYS A 61 -0.043 -17.863 -2.667 1.00 0.00 C ATOM 933 O LYS A 61 -0.136 -18.675 -3.582 1.00 0.00 O ATOM 934 CB LYS A 61 2.301 -16.986 -2.460 1.00 0.00 C ATOM 935 CG LYS A 61 2.535 -17.477 -1.019 1.00 0.00 C ATOM 936 CD LYS A 61 3.994 -17.262 -0.586 1.00 0.00 C ATOM 937 CE LYS A 61 5.011 -18.144 -1.304 1.00 0.00 C ATOM 938 NZ LYS A 61 4.904 -19.558 -0.891 1.00 0.00 N ATOM 0 H LYS A 61 0.583 -15.622 -1.050 1.00 0.00 H new ATOM 0 HA LYS A 61 0.813 -16.359 -3.886 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.661 -17.753 -3.146 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.914 -16.100 -2.623 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.869 -16.946 -0.339 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.284 -18.535 -0.948 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.258 -16.218 -0.753 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.070 -17.442 0.486 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.861 -18.068 -2.381 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.017 -17.780 -1.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.612 -20.123 -1.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.073 -19.634 0.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.952 -19.913 -1.113 1.00 0.00 H new ATOM 952 N ASP A 62 -0.736 -17.979 -1.537 1.00 0.00 N ATOM 953 CA ASP A 62 -1.693 -19.056 -1.274 1.00 0.00 C ATOM 954 C ASP A 62 -2.961 -18.894 -2.123 1.00 0.00 C ATOM 955 O ASP A 62 -3.681 -19.856 -2.390 1.00 0.00 O ATOM 956 CB ASP A 62 -2.034 -19.035 0.217 1.00 0.00 C ATOM 957 CG ASP A 62 -2.734 -20.309 0.680 1.00 0.00 C ATOM 958 OD1 ASP A 62 -2.022 -21.289 0.997 1.00 0.00 O ATOM 959 OD2 ASP A 62 -3.968 -20.281 0.893 1.00 0.00 O ATOM 0 H ASP A 62 -0.649 -17.318 -0.765 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.249 -20.014 -1.545 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -1.119 -18.899 0.793 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -2.673 -18.177 0.427 1.00 0.00 H new ATOM 964 N GLY A 63 -3.220 -17.674 -2.605 1.00 0.00 N ATOM 965 CA GLY A 63 -4.359 -17.354 -3.447 1.00 0.00 C ATOM 966 C GLY A 63 -5.608 -17.028 -2.633 1.00 0.00 C ATOM 967 O GLY A 63 -6.723 -17.260 -3.111 1.00 0.00 O ATOM 0 H GLY A 63 -2.625 -16.869 -2.411 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.111 -16.504 -4.083 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.568 -18.196 -4.107 1.00 0.00 H new ATOM 971 N LYS A 64 -5.448 -16.547 -1.395 1.00 0.00 N ATOM 972 CA LYS A 64 -6.520 -16.252 -0.456 1.00 0.00 C ATOM 973 C LYS A 64 -6.172 -14.983 0.314 1.00 0.00 C ATOM 974 O LYS A 64 -5.000 -14.624 0.422 1.00 0.00 O ATOM 975 CB LYS A 64 -6.703 -17.427 0.513 1.00 0.00 C ATOM 976 CG LYS A 64 -6.893 -18.776 -0.195 1.00 0.00 C ATOM 977 CD LYS A 64 -7.318 -19.855 0.803 1.00 0.00 C ATOM 978 CE LYS A 64 -7.034 -21.257 0.264 1.00 0.00 C ATOM 979 NZ LYS A 64 -7.935 -21.697 -0.818 1.00 0.00 N ATOM 0 H LYS A 64 -4.525 -16.346 -1.010 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.453 -16.102 -0.999 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.833 -17.488 1.167 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.567 -17.233 1.148 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.647 -18.679 -0.977 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -5.964 -19.070 -0.683 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.788 -19.711 1.744 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.382 -19.755 1.018 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.007 -21.290 -0.101 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.103 -21.968 1.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.670 -22.656 -1.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.916 -21.702 -0.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.855 -21.044 -1.624 1.00 0.00 H new ATOM 993 N ASN A 65 -7.192 -14.335 0.869 1.00 0.00 N ATOM 994 CA ASN A 65 -7.152 -13.014 1.484 1.00 0.00 C ATOM 995 C ASN A 65 -6.214 -12.966 2.695 1.00 0.00 C ATOM 996 O ASN A 65 -6.643 -13.241 3.813 1.00 0.00 O ATOM 997 CB ASN A 65 -8.589 -12.630 1.890 1.00 0.00 C ATOM 998 CG ASN A 65 -8.824 -11.147 2.060 1.00 0.00 C ATOM 999 OD1 ASN A 65 -9.692 -10.580 1.420 1.00 0.00 O ATOM 1000 ND2 ASN A 65 -8.096 -10.486 2.927 1.00 0.00 N ATOM 0 H ASN A 65 -8.126 -14.744 0.903 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.755 -12.299 0.763 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -9.278 -13.009 1.135 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -8.834 -13.132 2.826 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.254 -9.489 3.070 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.372 -10.969 3.458 1.00 0.00 H new ATOM 1007 N LEU A 66 -4.972 -12.513 2.513 1.00 0.00 N ATOM 1008 CA LEU A 66 -3.948 -12.448 3.559 1.00 0.00 C ATOM 1009 C LEU A 66 -4.419 -11.688 4.801 1.00 0.00 C ATOM 1010 O LEU A 66 -4.093 -12.068 5.925 1.00 0.00 O ATOM 1011 CB LEU A 66 -2.691 -11.738 3.034 1.00 0.00 C ATOM 1012 CG LEU A 66 -1.922 -12.468 1.923 1.00 0.00 C ATOM 1013 CD1 LEU A 66 -0.676 -11.647 1.566 1.00 0.00 C ATOM 1014 CD2 LEU A 66 -1.509 -13.877 2.354 1.00 0.00 C ATOM 0 H LEU A 66 -4.641 -12.172 1.610 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.735 -13.481 3.835 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.981 -10.755 2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.013 -11.575 3.872 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.575 -12.569 1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.120 -12.154 0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.978 -10.659 1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.043 -11.544 2.448 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.967 -14.362 1.542 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.867 -13.815 3.232 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.398 -14.459 2.595 1.00 0.00 H new ATOM 1026 N LEU A 67 -5.190 -10.613 4.609 1.00 0.00 N ATOM 1027 CA LEU A 67 -5.705 -9.786 5.694 1.00 0.00 C ATOM 1028 C LEU A 67 -6.776 -10.504 6.534 1.00 0.00 C ATOM 1029 O LEU A 67 -7.150 -9.989 7.591 1.00 0.00 O ATOM 1030 CB LEU A 67 -6.324 -8.504 5.113 1.00 0.00 C ATOM 1031 CG LEU A 67 -5.412 -7.556 4.316 1.00 0.00 C ATOM 1032 CD1 LEU A 67 -6.262 -6.604 3.464 1.00 0.00 C ATOM 1033 CD2 LEU A 67 -4.547 -6.720 5.251 1.00 0.00 C ATOM 0 H LEU A 67 -5.475 -10.293 3.683 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.861 -9.560 6.346 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.149 -8.797 4.464 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.754 -7.937 5.939 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.772 -8.167 3.679 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.608 -5.936 2.903 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.872 -7.183 2.770 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.911 -6.016 4.113 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.911 -6.058 4.663 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.186 -6.125 5.903 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.924 -7.378 5.856 1.00 0.00 H new ATOM 1045 N TYR A 68 -7.311 -11.638 6.067 1.00 0.00 N ATOM 1046 CA TYR A 68 -8.212 -12.525 6.796 1.00 0.00 C ATOM 1047 C TYR A 68 -7.483 -13.831 7.150 1.00 0.00 C ATOM 1048 O TYR A 68 -8.104 -14.773 7.637 1.00 0.00 O ATOM 1049 CB TYR A 68 -9.446 -12.757 5.907 1.00 0.00 C ATOM 1050 CG TYR A 68 -10.710 -13.266 6.583 1.00 0.00 C ATOM 1051 CD1 TYR A 68 -11.616 -12.359 7.163 1.00 0.00 C ATOM 1052 CD2 TYR A 68 -11.029 -14.635 6.567 1.00 0.00 C ATOM 1053 CE1 TYR A 68 -12.822 -12.798 7.728 1.00 0.00 C ATOM 1054 CE2 TYR A 68 -12.233 -15.087 7.127 1.00 0.00 C ATOM 1055 CZ TYR A 68 -13.140 -14.169 7.710 1.00 0.00 C ATOM 1056 OH TYR A 68 -14.313 -14.584 8.267 1.00 0.00 O ATOM 0 H TYR A 68 -7.115 -11.974 5.124 1.00 0.00 H new ATOM 0 HA TYR A 68 -8.535 -12.087 7.740 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.685 -11.817 5.410 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.171 -13.468 5.128 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -11.378 -11.306 7.173 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -10.344 -15.342 6.122 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -13.503 -12.088 8.174 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -12.470 -16.141 7.113 1.00 0.00 H new ATOM 0 HH TYR A 68 -14.392 -15.557 8.176 1.00 0.00 H new ATOM 1066 N ASN A 69 -6.178 -13.921 6.871 1.00 0.00 N ATOM 1067 CA ASN A 69 -5.334 -15.072 7.143 1.00 0.00 C ATOM 1068 C ASN A 69 -4.643 -14.831 8.476 1.00 0.00 C ATOM 1069 O ASN A 69 -5.135 -15.320 9.495 1.00 0.00 O ATOM 1070 CB ASN A 69 -4.374 -15.301 5.975 1.00 0.00 C ATOM 1071 CG ASN A 69 -3.610 -16.602 6.102 1.00 0.00 C ATOM 1072 OD1 ASN A 69 -2.391 -16.597 6.212 1.00 0.00 O ATOM 1073 ND2 ASN A 69 -4.292 -17.732 6.054 1.00 0.00 N ATOM 0 H ASN A 69 -5.667 -13.156 6.430 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.911 -15.993 7.229 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.936 -15.303 5.041 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.668 -14.472 5.921 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -3.803 -18.625 6.109 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.308 -17.711 5.962 1.00 0.00 H new ATOM 1080 N GLY A 70 -3.637 -13.948 8.518 1.00 0.00 N ATOM 1081 CA GLY A 70 -3.068 -13.501 9.787 1.00 0.00 C ATOM 1082 C GLY A 70 -1.809 -12.647 9.679 1.00 0.00 C ATOM 1083 O GLY A 70 -1.556 -11.854 10.582 1.00 0.00 O ATOM 0 H GLY A 70 -3.206 -13.534 7.692 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.827 -12.932 10.325 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.840 -14.379 10.392 1.00 0.00 H new ATOM 1087 N THR A 71 -1.015 -12.776 8.617 1.00 0.00 N ATOM 1088 CA THR A 71 0.322 -12.170 8.592 1.00 0.00 C ATOM 1089 C THR A 71 0.307 -10.741 8.011 1.00 0.00 C ATOM 1090 O THR A 71 1.271 -9.998 8.172 1.00 0.00 O ATOM 1091 CB THR A 71 1.267 -13.133 7.856 1.00 0.00 C ATOM 1092 OG1 THR A 71 1.314 -14.379 8.513 1.00 0.00 O ATOM 1093 CG2 THR A 71 2.715 -12.662 7.764 1.00 0.00 C ATOM 0 H THR A 71 -1.267 -13.287 7.771 1.00 0.00 H new ATOM 0 HA THR A 71 0.692 -12.033 9.608 1.00 0.00 H new ATOM 0 HB THR A 71 0.849 -13.191 6.851 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.919 -14.981 8.030 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.306 -13.405 7.229 1.00 0.00 H new ATOM 0 HG22 THR A 71 2.756 -11.713 7.230 1.00 0.00 H new ATOM 0 HG23 THR A 71 3.119 -12.531 8.768 1.00 0.00 H new ATOM 1101 N ALA A 72 -0.786 -10.321 7.369 1.00 0.00 N ATOM 1102 CA ALA A 72 -1.024 -8.932 6.992 1.00 0.00 C ATOM 1103 C ALA A 72 -2.232 -8.442 7.783 1.00 0.00 C ATOM 1104 O ALA A 72 -3.167 -9.213 8.014 1.00 0.00 O ATOM 1105 CB ALA A 72 -1.282 -8.854 5.479 1.00 0.00 C ATOM 0 H ALA A 72 -1.541 -10.950 7.094 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.162 -8.304 7.216 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.460 -7.817 5.193 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.413 -9.234 4.942 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.156 -9.455 5.227 1.00 0.00 H new ATOM 1111 N LYS A 73 -2.238 -7.170 8.182 1.00 0.00 N ATOM 1112 CA LYS A 73 -3.305 -6.586 8.993 1.00 0.00 C ATOM 1113 C LYS A 73 -3.221 -5.071 8.896 1.00 0.00 C ATOM 1114 O LYS A 73 -2.129 -4.524 8.737 1.00 0.00 O ATOM 1115 CB LYS A 73 -3.126 -7.095 10.437 1.00 0.00 C ATOM 1116 CG LYS A 73 -4.030 -6.444 11.489 1.00 0.00 C ATOM 1117 CD LYS A 73 -3.971 -7.162 12.848 1.00 0.00 C ATOM 1118 CE LYS A 73 -4.578 -8.569 12.795 1.00 0.00 C ATOM 1119 NZ LYS A 73 -4.502 -9.274 14.092 1.00 0.00 N ATOM 0 H LYS A 73 -1.495 -6.511 7.949 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.295 -6.879 8.643 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.303 -8.170 10.448 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.088 -6.940 10.731 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -3.737 -5.402 11.620 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.058 -6.443 11.128 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.933 -7.229 13.175 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.502 -6.568 13.592 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.621 -8.499 12.485 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.059 -9.155 12.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -4.926 -10.219 13.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.507 -9.368 14.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -5.020 -8.732 14.813 1.00 0.00 H new ATOM 1133 N MET A 74 -4.353 -4.375 9.002 1.00 0.00 N ATOM 1134 CA MET A 74 -4.346 -2.942 9.213 1.00 0.00 C ATOM 1135 C MET A 74 -4.346 -2.635 10.709 1.00 0.00 C ATOM 1136 O MET A 74 -5.017 -3.309 11.495 1.00 0.00 O ATOM 1137 CB MET A 74 -5.533 -2.326 8.484 1.00 0.00 C ATOM 1138 CG MET A 74 -6.864 -2.378 9.243 1.00 0.00 C ATOM 1139 SD MET A 74 -8.314 -1.794 8.321 1.00 0.00 S ATOM 1140 CE MET A 74 -7.520 -0.629 7.189 1.00 0.00 C ATOM 0 H MET A 74 -5.284 -4.788 8.944 1.00 0.00 H new ATOM 0 HA MET A 74 -3.439 -2.498 8.802 1.00 0.00 H new ATOM 0 HB2 MET A 74 -5.301 -1.285 8.261 1.00 0.00 H new ATOM 0 HB3 MET A 74 -5.657 -2.837 7.529 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.044 -3.407 9.555 1.00 0.00 H new ATOM 0 HG3 MET A 74 -6.768 -1.782 10.150 1.00 0.00 H new ATOM 0 HE1 MET A 74 -8.283 -0.048 6.670 1.00 0.00 H new ATOM 0 HE2 MET A 74 -6.873 0.043 7.753 1.00 0.00 H new ATOM 0 HE3 MET A 74 -6.924 -1.179 6.460 1.00 0.00 H new ATOM 1150 N PHE A 75 -3.633 -1.585 11.092 1.00 0.00 N ATOM 1151 CA PHE A 75 -3.456 -1.128 12.455 1.00 0.00 C ATOM 1152 C PHE A 75 -3.505 0.402 12.583 1.00 0.00 C ATOM 1153 O PHE A 75 -3.409 0.889 13.703 1.00 0.00 O ATOM 1154 CB PHE A 75 -2.144 -1.714 12.992 1.00 0.00 C ATOM 1155 CG PHE A 75 -0.881 -1.211 12.317 1.00 0.00 C ATOM 1156 CD1 PHE A 75 -0.450 -1.762 11.091 1.00 0.00 C ATOM 1157 CD2 PHE A 75 -0.111 -0.209 12.940 1.00 0.00 C ATOM 1158 CE1 PHE A 75 0.745 -1.318 10.497 1.00 0.00 C ATOM 1159 CE2 PHE A 75 1.089 0.222 12.350 1.00 0.00 C ATOM 1160 CZ PHE A 75 1.521 -0.338 11.136 1.00 0.00 C ATOM 0 H PHE A 75 -3.137 -1.000 10.420 1.00 0.00 H new ATOM 0 HA PHE A 75 -4.291 -1.483 13.059 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.078 -1.495 14.058 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.182 -2.799 12.891 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.040 -2.527 10.608 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.443 0.227 13.870 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.065 -1.730 9.551 1.00 0.00 H new ATOM 0 HE2 PHE A 75 1.681 0.986 12.831 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.451 -0.014 10.694 1.00 0.00 H new ATOM 1170 N LYS A 76 -3.659 1.165 11.490 1.00 0.00 N ATOM 1171 CA LYS A 76 -3.571 2.623 11.443 1.00 0.00 C ATOM 1172 C LYS A 76 -4.327 3.132 10.208 1.00 0.00 C ATOM 1173 O LYS A 76 -4.188 2.565 9.117 1.00 0.00 O ATOM 1174 CB LYS A 76 -2.074 2.982 11.390 1.00 0.00 C ATOM 1175 CG LYS A 76 -1.788 4.485 11.333 1.00 0.00 C ATOM 1176 CD LYS A 76 -0.283 4.715 11.164 1.00 0.00 C ATOM 1177 CE LYS A 76 -0.024 6.209 10.958 1.00 0.00 C ATOM 1178 NZ LYS A 76 1.342 6.464 10.471 1.00 0.00 N ATOM 0 H LYS A 76 -3.857 0.759 10.576 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.025 3.092 12.316 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.581 2.563 12.267 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.629 2.506 10.516 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.331 4.938 10.503 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.140 4.967 12.245 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.253 4.358 12.044 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.091 4.148 10.312 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.745 6.608 10.244 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.180 6.738 11.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.643 7.415 10.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.991 5.756 10.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.358 6.401 9.433 1.00 0.00 H new ATOM 1192 N SER A 77 -5.098 4.208 10.322 1.00 0.00 N ATOM 1193 CA SER A 77 -5.801 4.836 9.212 1.00 0.00 C ATOM 1194 C SER A 77 -6.059 6.306 9.547 1.00 0.00 C ATOM 1195 O SER A 77 -6.842 6.580 10.457 1.00 0.00 O ATOM 1196 CB SER A 77 -7.114 4.084 8.946 1.00 0.00 C ATOM 1197 OG SER A 77 -7.894 3.780 10.093 1.00 0.00 O ATOM 0 H SER A 77 -5.255 4.679 11.213 1.00 0.00 H new ATOM 0 HA SER A 77 -5.195 4.791 8.307 1.00 0.00 H new ATOM 0 HB2 SER A 77 -7.721 4.680 8.265 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.879 3.152 8.432 1.00 0.00 H new ATOM 0 HG SER A 77 -7.891 4.547 10.704 1.00 0.00 H new ATOM 1203 N ASP A 78 -5.474 7.248 8.812 1.00 0.00 N ATOM 1204 CA ASP A 78 -5.627 8.689 9.027 1.00 0.00 C ATOM 1205 C ASP A 78 -6.629 9.238 8.011 1.00 0.00 C ATOM 1206 O ASP A 78 -7.386 8.477 7.396 1.00 0.00 O ATOM 1207 CB ASP A 78 -4.258 9.376 8.892 1.00 0.00 C ATOM 1208 CG ASP A 78 -4.084 10.474 9.927 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -4.602 11.577 9.656 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -3.399 10.250 10.951 1.00 0.00 O ATOM 0 H ASP A 78 -4.862 7.026 8.027 1.00 0.00 H new ATOM 0 HA ASP A 78 -6.006 8.887 10.030 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.465 8.637 9.007 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -4.158 9.798 7.892 1.00 0.00 H new ATOM 1215 N ALA A 79 -6.676 10.558 7.857 1.00 0.00 N ATOM 1216 CA ALA A 79 -7.484 11.259 6.882 1.00 0.00 C ATOM 1217 C ALA A 79 -6.600 11.889 5.797 1.00 0.00 C ATOM 1218 O ALA A 79 -5.396 12.107 5.984 1.00 0.00 O ATOM 1219 CB ALA A 79 -8.302 12.301 7.645 1.00 0.00 C ATOM 0 H ALA A 79 -6.125 11.190 8.438 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.156 10.578 6.360 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -8.928 12.855 6.946 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.933 11.801 8.380 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.629 12.991 8.154 1.00 0.00 H new ATOM 1225 N ILE A 80 -7.232 12.209 4.670 1.00 0.00 N ATOM 1226 CA ILE A 80 -6.698 12.940 3.527 1.00 0.00 C ATOM 1227 C ILE A 80 -7.740 13.996 3.187 1.00 0.00 C ATOM 1228 O ILE A 80 -8.785 13.665 2.611 1.00 0.00 O ATOM 1229 CB ILE A 80 -6.456 12.010 2.319 1.00 0.00 C ATOM 1230 CG1 ILE A 80 -5.632 10.776 2.717 1.00 0.00 C ATOM 1231 CG2 ILE A 80 -5.795 12.805 1.177 1.00 0.00 C ATOM 1232 CD1 ILE A 80 -5.393 9.856 1.522 1.00 0.00 C ATOM 0 H ILE A 80 -8.206 11.943 4.523 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.732 13.383 3.767 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.416 11.636 1.963 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.675 11.094 3.130 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.152 10.227 3.502 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.625 12.146 0.326 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.449 13.624 0.877 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.842 13.209 1.519 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.807 8.993 1.839 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.351 9.519 1.125 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.850 10.399 0.748 1.00 0.00 H new ATOM 1244 N LEU A 81 -7.511 15.242 3.590 1.00 0.00 N ATOM 1245 CA LEU A 81 -8.399 16.320 3.171 1.00 0.00 C ATOM 1246 C LEU A 81 -7.989 16.756 1.767 1.00 0.00 C ATOM 1247 O LEU A 81 -6.818 16.660 1.393 1.00 0.00 O ATOM 1248 CB LEU A 81 -8.417 17.482 4.172 1.00 0.00 C ATOM 1249 CG LEU A 81 -8.921 17.108 5.582 1.00 0.00 C ATOM 1250 CD1 LEU A 81 -9.013 18.378 6.432 1.00 0.00 C ATOM 1251 CD2 LEU A 81 -10.307 16.443 5.568 1.00 0.00 C ATOM 0 H LEU A 81 -6.738 15.526 4.192 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.427 15.959 3.147 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.409 17.887 4.257 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.048 18.277 3.774 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.210 16.392 5.994 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.369 18.123 7.430 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.028 18.839 6.505 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.708 19.077 5.967 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.606 16.204 6.589 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.034 17.126 5.127 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.265 15.527 4.978 1.00 0.00 H new ATOM 1263 N GLY A 82 -8.960 17.201 0.970 1.00 0.00 N ATOM 1264 CA GLY A 82 -8.738 17.562 -0.422 1.00 0.00 C ATOM 1265 C GLY A 82 -8.054 18.915 -0.514 1.00 0.00 C ATOM 1266 O GLY A 82 -6.829 18.982 -0.623 1.00 0.00 O ATOM 0 H GLY A 82 -9.925 17.320 1.277 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.125 16.803 -0.908 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.689 17.591 -0.953 1.00 0.00 H new ATOM 1270 N GLN A 83 -8.863 19.976 -0.485 1.00 0.00 N ATOM 1271 CA GLN A 83 -8.460 21.381 -0.445 1.00 0.00 C ATOM 1272 C GLN A 83 -9.503 22.155 0.379 1.00 0.00 C ATOM 1273 O GLN A 83 -9.165 22.920 1.275 1.00 0.00 O ATOM 1274 CB GLN A 83 -8.375 21.980 -1.866 1.00 0.00 C ATOM 1275 CG GLN A 83 -7.493 21.259 -2.903 1.00 0.00 C ATOM 1276 CD GLN A 83 -5.997 21.220 -2.578 1.00 0.00 C ATOM 1277 OE1 GLN A 83 -5.475 21.976 -1.764 1.00 0.00 O ATOM 1278 NE2 GLN A 83 -5.254 20.340 -3.229 1.00 0.00 N ATOM 0 H GLN A 83 -9.877 19.870 -0.489 1.00 0.00 H new ATOM 0 HA GLN A 83 -7.472 21.458 0.008 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -9.387 22.033 -2.267 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.014 23.005 -1.775 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -7.851 20.235 -3.011 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -7.625 21.746 -3.869 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -5.685 19.710 -3.906 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -4.250 20.291 -3.054 1.00 0.00 H new ATOM 1287 N ASN A 84 -10.798 21.919 0.113 1.00 0.00 N ATOM 1288 CA ASN A 84 -11.918 22.573 0.802 1.00 0.00 C ATOM 1289 C ASN A 84 -12.465 21.674 1.918 1.00 0.00 C ATOM 1290 O ASN A 84 -13.670 21.423 1.968 1.00 0.00 O ATOM 1291 CB ASN A 84 -13.039 22.940 -0.194 1.00 0.00 C ATOM 1292 CG ASN A 84 -12.596 23.903 -1.277 1.00 0.00 C ATOM 1293 OD1 ASN A 84 -12.606 25.116 -1.085 1.00 0.00 O ATOM 1294 ND2 ASN A 84 -12.208 23.385 -2.429 1.00 0.00 N ATOM 0 H ASN A 84 -11.099 21.256 -0.601 1.00 0.00 H new ATOM 0 HA ASN A 84 -11.546 23.494 1.251 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -13.412 22.028 -0.660 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -13.871 23.381 0.355 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -11.906 23.997 -3.187 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -12.210 22.373 -2.560 1.00 0.00 H new ATOM 1301 N LYS A 85 -11.608 21.110 2.780 1.00 0.00 N ATOM 1302 CA LYS A 85 -11.989 20.197 3.869 1.00 0.00 C ATOM 1303 C LYS A 85 -12.765 18.949 3.417 1.00 0.00 C ATOM 1304 O LYS A 85 -13.362 18.252 4.233 1.00 0.00 O ATOM 1305 CB LYS A 85 -12.719 20.981 4.983 1.00 0.00 C ATOM 1306 CG LYS A 85 -11.783 21.906 5.768 1.00 0.00 C ATOM 1307 CD LYS A 85 -12.537 22.788 6.778 1.00 0.00 C ATOM 1308 CE LYS A 85 -12.680 24.231 6.272 1.00 0.00 C ATOM 1309 NZ LYS A 85 -11.471 25.033 6.560 1.00 0.00 N ATOM 0 H LYS A 85 -10.603 21.280 2.739 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.063 19.789 4.273 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -13.520 21.573 4.540 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -13.187 20.276 5.670 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -11.043 21.305 6.297 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -11.238 22.542 5.071 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -13.525 22.367 6.963 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -12.007 22.787 7.730 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -12.865 24.224 5.198 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -13.546 24.697 6.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -11.604 26.001 6.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -11.309 25.061 7.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.649 24.602 6.092 1.00 0.00 H new ATOM 1323 N VAL A 86 -12.766 18.641 2.125 1.00 0.00 N ATOM 1324 CA VAL A 86 -13.458 17.485 1.571 1.00 0.00 C ATOM 1325 C VAL A 86 -12.698 16.237 2.029 1.00 0.00 C ATOM 1326 O VAL A 86 -11.478 16.191 1.857 1.00 0.00 O ATOM 1327 CB VAL A 86 -13.531 17.617 0.035 1.00 0.00 C ATOM 1328 CG1 VAL A 86 -14.367 16.482 -0.577 1.00 0.00 C ATOM 1329 CG2 VAL A 86 -14.127 18.966 -0.385 1.00 0.00 C ATOM 0 H VAL A 86 -12.278 19.197 1.423 1.00 0.00 H new ATOM 0 HA VAL A 86 -14.487 17.414 1.923 1.00 0.00 H new ATOM 0 HB VAL A 86 -12.509 17.553 -0.338 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -14.402 16.599 -1.660 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -13.913 15.522 -0.330 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -15.380 16.518 -0.175 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -14.163 19.025 -1.473 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -15.136 19.059 0.017 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -13.506 19.774 0.001 1.00 0.00 H new ATOM 1339 N VAL A 87 -13.390 15.242 2.592 1.00 0.00 N ATOM 1340 CA VAL A 87 -12.820 13.946 2.966 1.00 0.00 C ATOM 1341 C VAL A 87 -12.619 13.151 1.666 1.00 0.00 C ATOM 1342 O VAL A 87 -13.413 12.275 1.328 1.00 0.00 O ATOM 1343 CB VAL A 87 -13.748 13.224 3.981 1.00 0.00 C ATOM 1344 CG1 VAL A 87 -13.100 11.965 4.587 1.00 0.00 C ATOM 1345 CG2 VAL A 87 -14.138 14.136 5.160 1.00 0.00 C ATOM 0 H VAL A 87 -14.385 15.318 2.805 1.00 0.00 H new ATOM 0 HA VAL A 87 -11.859 14.055 3.469 1.00 0.00 H new ATOM 0 HB VAL A 87 -14.628 12.949 3.400 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -13.793 11.501 5.289 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -12.863 11.259 3.791 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -12.185 12.243 5.110 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -14.787 13.589 5.844 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -13.239 14.452 5.688 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -14.665 15.013 4.783 1.00 0.00 H new ATOM 1355 N ILE A 88 -11.593 13.486 0.876 1.00 0.00 N ATOM 1356 CA ILE A 88 -11.401 12.843 -0.425 1.00 0.00 C ATOM 1357 C ILE A 88 -11.061 11.364 -0.252 1.00 0.00 C ATOM 1358 O ILE A 88 -11.442 10.548 -1.093 1.00 0.00 O ATOM 1359 CB ILE A 88 -10.372 13.584 -1.304 1.00 0.00 C ATOM 1360 CG1 ILE A 88 -8.970 13.752 -0.682 1.00 0.00 C ATOM 1361 CG2 ILE A 88 -10.982 14.943 -1.680 1.00 0.00 C ATOM 1362 CD1 ILE A 88 -7.911 14.132 -1.730 1.00 0.00 C ATOM 0 H ILE A 88 -10.892 14.189 1.112 1.00 0.00 H new ATOM 0 HA ILE A 88 -12.346 12.904 -0.964 1.00 0.00 H new ATOM 0 HB ILE A 88 -10.185 12.965 -2.182 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -9.007 14.521 0.090 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -8.678 12.823 -0.193 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -10.280 15.497 -2.304 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -11.910 14.786 -2.230 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -11.189 15.512 -0.774 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.941 14.239 -1.245 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.853 13.351 -2.488 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -8.187 15.075 -2.201 1.00 0.00 H new ATOM 1374 N GLY A 89 -10.415 10.998 0.850 1.00 0.00 N ATOM 1375 CA GLY A 89 -10.013 9.632 1.085 1.00 0.00 C ATOM 1376 C GLY A 89 -9.374 9.478 2.446 1.00 0.00 C ATOM 1377 O GLY A 89 -9.368 10.405 3.261 1.00 0.00 O ATOM 0 H GLY A 89 -10.160 11.643 1.598 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -10.881 8.977 1.011 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.311 9.319 0.313 1.00 0.00 H new ATOM 1381 N TRP A 90 -8.813 8.300 2.676 1.00 0.00 N ATOM 1382 CA TRP A 90 -8.082 7.952 3.882 1.00 0.00 C ATOM 1383 C TRP A 90 -6.870 7.154 3.421 1.00 0.00 C ATOM 1384 O TRP A 90 -6.962 6.393 2.452 1.00 0.00 O ATOM 1385 CB TRP A 90 -8.983 7.147 4.823 1.00 0.00 C ATOM 1386 CG TRP A 90 -10.292 7.776 5.148 1.00 0.00 C ATOM 1387 CD1 TRP A 90 -10.548 8.649 6.144 1.00 0.00 C ATOM 1388 CD2 TRP A 90 -11.523 7.648 4.384 1.00 0.00 C ATOM 1389 NE1 TRP A 90 -11.878 9.023 6.075 1.00 0.00 N ATOM 1390 CE2 TRP A 90 -12.512 8.479 4.975 1.00 0.00 C ATOM 1391 CE3 TRP A 90 -11.864 6.958 3.203 1.00 0.00 C ATOM 1392 CZ2 TRP A 90 -13.792 8.620 4.413 1.00 0.00 C ATOM 1393 CZ3 TRP A 90 -13.125 7.131 2.606 1.00 0.00 C ATOM 1394 CH2 TRP A 90 -14.083 7.968 3.202 1.00 0.00 C ATOM 0 H TRP A 90 -8.857 7.534 2.003 1.00 0.00 H new ATOM 0 HA TRP A 90 -7.762 8.830 4.444 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -9.170 6.172 4.373 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -8.443 6.971 5.753 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -9.833 8.998 6.874 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -12.336 9.629 6.756 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -11.148 6.288 2.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -14.542 9.221 4.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -13.358 6.618 1.685 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -15.044 8.111 2.730 1.00 0.00 H new ATOM 1405 N ASP A 91 -5.735 7.324 4.095 1.00 0.00 N ATOM 1406 CA ASP A 91 -4.464 6.745 3.647 1.00 0.00 C ATOM 1407 C ASP A 91 -4.211 5.483 4.466 1.00 0.00 C ATOM 1408 O ASP A 91 -3.354 5.422 5.346 1.00 0.00 O ATOM 1409 CB ASP A 91 -3.347 7.799 3.717 1.00 0.00 C ATOM 1410 CG ASP A 91 -2.632 8.015 2.381 1.00 0.00 C ATOM 1411 OD1 ASP A 91 -2.408 7.022 1.662 1.00 0.00 O ATOM 1412 OD2 ASP A 91 -2.307 9.188 2.076 1.00 0.00 O ATOM 0 H ASP A 91 -5.666 7.861 4.959 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.495 6.446 2.599 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.771 8.746 4.051 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.617 7.495 4.467 1.00 0.00 H new ATOM 1417 N LYS A 92 -5.102 4.514 4.289 1.00 0.00 N ATOM 1418 CA LYS A 92 -5.162 3.297 5.096 1.00 0.00 C ATOM 1419 C LYS A 92 -3.808 2.602 5.003 1.00 0.00 C ATOM 1420 O LYS A 92 -3.369 2.225 3.910 1.00 0.00 O ATOM 1421 CB LYS A 92 -6.312 2.383 4.641 1.00 0.00 C ATOM 1422 CG LYS A 92 -7.561 2.442 5.529 1.00 0.00 C ATOM 1423 CD LYS A 92 -8.253 3.813 5.576 1.00 0.00 C ATOM 1424 CE LYS A 92 -9.580 3.896 6.368 1.00 0.00 C ATOM 1425 NZ LYS A 92 -9.870 2.739 7.253 1.00 0.00 N ATOM 0 H LYS A 92 -5.819 4.552 3.565 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.369 3.546 6.137 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.593 2.653 3.623 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.952 1.355 4.610 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -8.277 1.701 5.174 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -7.283 2.156 6.543 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -7.555 4.532 6.006 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.448 4.131 4.552 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -9.564 4.801 6.976 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -10.400 4.003 5.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -10.715 2.942 7.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -10.040 1.893 6.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -9.059 2.571 7.882 1.00 0.00 H new ATOM 1439 N TYR A 93 -3.140 2.474 6.149 1.00 0.00 N ATOM 1440 CA TYR A 93 -1.863 1.801 6.203 1.00 0.00 C ATOM 1441 C TYR A 93 -2.136 0.294 6.160 1.00 0.00 C ATOM 1442 O TYR A 93 -3.276 -0.127 6.387 1.00 0.00 O ATOM 1443 CB TYR A 93 -1.112 2.253 7.468 1.00 0.00 C ATOM 1444 CG TYR A 93 -0.713 3.722 7.475 1.00 0.00 C ATOM 1445 CD1 TYR A 93 -1.645 4.721 7.823 1.00 0.00 C ATOM 1446 CD2 TYR A 93 0.595 4.095 7.120 1.00 0.00 C ATOM 1447 CE1 TYR A 93 -1.289 6.080 7.781 1.00 0.00 C ATOM 1448 CE2 TYR A 93 0.966 5.450 7.080 1.00 0.00 C ATOM 1449 CZ TYR A 93 0.014 6.448 7.379 1.00 0.00 C ATOM 1450 OH TYR A 93 0.360 7.756 7.265 1.00 0.00 O ATOM 0 H TYR A 93 -3.470 2.830 7.046 1.00 0.00 H new ATOM 0 HA TYR A 93 -1.222 2.051 5.358 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -1.739 2.056 8.337 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.214 1.645 7.579 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.643 4.439 8.125 1.00 0.00 H new ATOM 0 HD2 TYR A 93 1.321 3.334 6.876 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.008 6.838 8.055 1.00 0.00 H new ATOM 0 HE2 TYR A 93 1.977 5.727 6.821 1.00 0.00 H new ATOM 0 HH TYR A 93 1.295 7.823 6.979 1.00 0.00 H new ATOM 1460 N PHE A 94 -1.120 -0.536 5.950 1.00 0.00 N ATOM 1461 CA PHE A 94 -1.195 -1.984 6.142 1.00 0.00 C ATOM 1462 C PHE A 94 0.181 -2.488 6.558 1.00 0.00 C ATOM 1463 O PHE A 94 1.181 -1.953 6.074 1.00 0.00 O ATOM 1464 CB PHE A 94 -1.641 -2.672 4.840 1.00 0.00 C ATOM 1465 CG PHE A 94 -3.108 -2.473 4.502 1.00 0.00 C ATOM 1466 CD1 PHE A 94 -4.082 -3.289 5.105 1.00 0.00 C ATOM 1467 CD2 PHE A 94 -3.508 -1.433 3.641 1.00 0.00 C ATOM 1468 CE1 PHE A 94 -5.449 -3.082 4.837 1.00 0.00 C ATOM 1469 CE2 PHE A 94 -4.874 -1.206 3.406 1.00 0.00 C ATOM 1470 CZ PHE A 94 -5.845 -2.027 4.000 1.00 0.00 C ATOM 0 H PHE A 94 -0.203 -0.218 5.636 1.00 0.00 H new ATOM 0 HA PHE A 94 -1.926 -2.217 6.916 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -1.035 -2.294 4.016 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -1.440 -3.740 4.919 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -3.780 -4.079 5.777 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.766 -0.811 3.162 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -6.191 -3.734 5.274 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -5.179 -0.394 2.763 1.00 0.00 H new ATOM 0 HZ PHE A 94 -6.894 -1.848 3.814 1.00 0.00 H new ATOM 1480 N GLU A 95 0.233 -3.505 7.422 1.00 0.00 N ATOM 1481 CA GLU A 95 1.368 -4.417 7.533 1.00 0.00 C ATOM 1482 C GLU A 95 1.133 -5.529 6.515 1.00 0.00 C ATOM 1483 O GLU A 95 0.014 -6.048 6.453 1.00 0.00 O ATOM 1484 CB GLU A 95 1.428 -5.012 8.954 1.00 0.00 C ATOM 1485 CG GLU A 95 2.753 -5.742 9.237 1.00 0.00 C ATOM 1486 CD GLU A 95 3.017 -5.920 10.737 1.00 0.00 C ATOM 1487 OE1 GLU A 95 3.220 -4.898 11.433 1.00 0.00 O ATOM 1488 OE2 GLU A 95 3.100 -7.069 11.241 1.00 0.00 O ATOM 0 H GLU A 95 -0.524 -3.719 8.072 1.00 0.00 H new ATOM 0 HA GLU A 95 2.309 -3.900 7.345 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.295 -4.213 9.684 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.599 -5.707 9.088 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.735 -6.720 8.756 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.575 -5.182 8.791 1.00 0.00 H new ATOM 1495 N ILE A 96 2.154 -5.902 5.743 1.00 0.00 N ATOM 1496 CA ILE A 96 2.196 -7.096 4.899 1.00 0.00 C ATOM 1497 C ILE A 96 3.578 -7.747 5.153 1.00 0.00 C ATOM 1498 O ILE A 96 4.505 -7.049 5.562 1.00 0.00 O ATOM 1499 CB ILE A 96 1.950 -6.721 3.402 1.00 0.00 C ATOM 1500 CG1 ILE A 96 0.723 -5.800 3.171 1.00 0.00 C ATOM 1501 CG2 ILE A 96 1.732 -7.924 2.464 1.00 0.00 C ATOM 1502 CD1 ILE A 96 1.094 -4.324 3.098 1.00 0.00 C ATOM 0 H ILE A 96 3.013 -5.355 5.687 1.00 0.00 H new ATOM 0 HA ILE A 96 1.406 -7.807 5.142 1.00 0.00 H new ATOM 0 HB ILE A 96 2.881 -6.208 3.161 1.00 0.00 H new ATOM 0 HG12 ILE A 96 0.226 -6.091 2.245 1.00 0.00 H new ATOM 0 HG13 ILE A 96 0.006 -5.950 3.978 1.00 0.00 H new ATOM 0 HG21 ILE A 96 1.569 -7.568 1.447 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.612 -8.567 2.487 1.00 0.00 H new ATOM 0 HG23 ILE A 96 0.860 -8.489 2.794 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.194 -3.730 2.935 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.565 -4.021 4.033 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.789 -4.164 2.273 1.00 0.00 H new ATOM 1514 N PRO A 97 3.753 -9.060 4.932 1.00 0.00 N ATOM 1515 CA PRO A 97 5.064 -9.683 4.748 1.00 0.00 C ATOM 1516 C PRO A 97 5.714 -9.206 3.449 1.00 0.00 C ATOM 1517 O PRO A 97 5.083 -8.534 2.637 1.00 0.00 O ATOM 1518 CB PRO A 97 4.800 -11.194 4.667 1.00 0.00 C ATOM 1519 CG PRO A 97 3.341 -11.280 4.253 1.00 0.00 C ATOM 1520 CD PRO A 97 2.699 -10.044 4.853 1.00 0.00 C ATOM 0 HA PRO A 97 5.739 -9.425 5.564 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.452 -11.677 3.939 1.00 0.00 H new ATOM 0 HB3 PRO A 97 4.974 -11.683 5.625 1.00 0.00 H new ATOM 0 HG2 PRO A 97 3.237 -11.294 3.168 1.00 0.00 H new ATOM 0 HG3 PRO A 97 2.875 -12.191 4.629 1.00 0.00 H new ATOM 0 HD2 PRO A 97 1.876 -9.689 4.232 1.00 0.00 H new ATOM 0 HD3 PRO A 97 2.286 -10.256 5.839 1.00 0.00 H new ATOM 1528 N MET A 98 6.932 -9.676 3.186 1.00 0.00 N ATOM 1529 CA MET A 98 7.612 -9.575 1.891 1.00 0.00 C ATOM 1530 C MET A 98 7.944 -10.943 1.302 1.00 0.00 C ATOM 1531 O MET A 98 8.723 -11.052 0.361 1.00 0.00 O ATOM 1532 CB MET A 98 8.860 -8.704 2.061 1.00 0.00 C ATOM 1533 CG MET A 98 8.463 -7.241 1.946 1.00 0.00 C ATOM 1534 SD MET A 98 9.826 -6.084 1.728 1.00 0.00 S ATOM 1535 CE MET A 98 10.229 -5.843 3.460 1.00 0.00 C ATOM 0 H MET A 98 7.494 -10.154 3.891 1.00 0.00 H new ATOM 0 HA MET A 98 6.940 -9.106 1.172 1.00 0.00 H new ATOM 0 HB2 MET A 98 9.322 -8.894 3.030 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.600 -8.954 1.301 1.00 0.00 H new ATOM 0 HG2 MET A 98 7.779 -7.133 1.104 1.00 0.00 H new ATOM 0 HG3 MET A 98 7.911 -6.961 2.843 1.00 0.00 H new ATOM 0 HE1 MET A 98 10.937 -5.020 3.558 1.00 0.00 H new ATOM 0 HE2 MET A 98 9.321 -5.608 4.016 1.00 0.00 H new ATOM 0 HE3 MET A 98 10.674 -6.754 3.860 1.00 0.00 H new ATOM 1545 N ASP A 99 7.342 -11.990 1.857 1.00 0.00 N ATOM 1546 CA ASP A 99 7.615 -13.380 1.502 1.00 0.00 C ATOM 1547 C ASP A 99 6.320 -14.202 1.501 1.00 0.00 C ATOM 1548 O ASP A 99 6.358 -15.431 1.614 1.00 0.00 O ATOM 1549 CB ASP A 99 8.636 -13.907 2.511 1.00 0.00 C ATOM 1550 CG ASP A 99 9.491 -15.090 2.048 1.00 0.00 C ATOM 1551 OD1 ASP A 99 9.290 -15.671 0.963 1.00 0.00 O ATOM 1552 OD2 ASP A 99 10.413 -15.439 2.827 1.00 0.00 O ATOM 0 H ASP A 99 6.633 -11.894 2.584 1.00 0.00 H new ATOM 0 HA ASP A 99 8.021 -13.460 0.494 1.00 0.00 H new ATOM 0 HB2 ASP A 99 9.302 -13.089 2.785 1.00 0.00 H new ATOM 0 HB3 ASP A 99 8.104 -14.201 3.416 1.00 0.00 H new ATOM 1557 N ALA A 100 5.147 -13.540 1.426 1.00 0.00 N ATOM 1558 CA ALA A 100 3.872 -14.275 1.347 1.00 0.00 C ATOM 1559 C ALA A 100 3.074 -13.919 0.095 1.00 0.00 C ATOM 1560 O ALA A 100 1.892 -14.252 -0.019 1.00 0.00 O ATOM 1561 CB ALA A 100 3.034 -14.128 2.613 1.00 0.00 C ATOM 0 H ALA A 100 5.057 -12.524 1.419 1.00 0.00 H new ATOM 0 HA ALA A 100 4.136 -15.330 1.266 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.106 -14.689 2.502 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.592 -14.515 3.466 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.805 -13.075 2.777 1.00 0.00 H new ATOM 1567 N LEU A 101 3.695 -13.191 -0.823 1.00 0.00 N ATOM 1568 CA LEU A 101 3.151 -12.759 -2.079 1.00 0.00 C ATOM 1569 C LEU A 101 3.607 -13.737 -3.146 1.00 0.00 C ATOM 1570 O LEU A 101 4.630 -14.403 -2.990 1.00 0.00 O ATOM 1571 CB LEU A 101 3.712 -11.371 -2.377 1.00 0.00 C ATOM 1572 CG LEU A 101 3.587 -10.354 -1.240 1.00 0.00 C ATOM 1573 CD1 LEU A 101 2.119 -10.099 -0.873 1.00 0.00 C ATOM 1574 CD2 LEU A 101 4.488 -10.545 -0.035 1.00 0.00 C ATOM 0 H LEU A 101 4.655 -12.872 -0.690 1.00 0.00 H new ATOM 0 HA LEU A 101 2.062 -12.721 -2.055 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.766 -11.472 -2.637 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.203 -10.973 -3.255 1.00 0.00 H new ATOM 0 HG LEU A 101 3.999 -9.439 -1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.068 -9.372 -0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.589 -9.711 -1.743 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.657 -11.033 -0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.295 -9.756 0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.287 -11.515 0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.531 -10.501 -0.350 1.00 0.00 H new ATOM 1586 N GLN A 102 2.852 -13.812 -4.235 1.00 0.00 N ATOM 1587 CA GLN A 102 3.096 -14.720 -5.334 1.00 0.00 C ATOM 1588 C GLN A 102 4.439 -14.464 -6.047 1.00 0.00 C ATOM 1589 O GLN A 102 4.871 -15.308 -6.827 1.00 0.00 O ATOM 1590 CB GLN A 102 1.872 -14.607 -6.257 1.00 0.00 C ATOM 1591 CG GLN A 102 1.928 -15.606 -7.395 1.00 0.00 C ATOM 1592 CD GLN A 102 0.587 -15.786 -8.122 1.00 0.00 C ATOM 1593 OE1 GLN A 102 0.186 -16.902 -8.447 1.00 0.00 O ATOM 1594 NE2 GLN A 102 -0.157 -14.724 -8.379 1.00 0.00 N ATOM 0 H GLN A 102 2.031 -13.223 -4.376 1.00 0.00 H new ATOM 0 HA GLN A 102 3.207 -15.744 -4.976 1.00 0.00 H new ATOM 0 HB2 GLN A 102 0.964 -14.768 -5.677 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.816 -13.597 -6.663 1.00 0.00 H new ATOM 0 HG2 GLN A 102 2.681 -15.283 -8.114 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.253 -16.571 -7.005 1.00 0.00 H new ATOM 0 HE21 GLN A 102 0.170 -13.795 -8.112 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.058 -14.833 -8.844 1.00 0.00 H new ATOM 1603 N ASP A 103 5.096 -13.337 -5.783 1.00 0.00 N ATOM 1604 CA ASP A 103 6.378 -12.938 -6.366 1.00 0.00 C ATOM 1605 C ASP A 103 7.040 -11.966 -5.374 1.00 0.00 C ATOM 1606 O ASP A 103 6.455 -11.664 -4.327 1.00 0.00 O ATOM 1607 CB ASP A 103 6.112 -12.295 -7.738 1.00 0.00 C ATOM 1608 CG ASP A 103 7.305 -12.276 -8.697 1.00 0.00 C ATOM 1609 OD1 ASP A 103 8.283 -11.556 -8.422 1.00 0.00 O ATOM 1610 OD2 ASP A 103 7.228 -12.894 -9.786 1.00 0.00 O ATOM 0 H ASP A 103 4.734 -12.645 -5.127 1.00 0.00 H new ATOM 0 HA ASP A 103 7.049 -13.781 -6.530 1.00 0.00 H new ATOM 0 HB2 ASP A 103 5.291 -12.828 -8.217 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.777 -11.270 -7.581 1.00 0.00 H new ATOM 1615 N ASN A 104 8.216 -11.417 -5.676 1.00 0.00 N ATOM 1616 CA ASN A 104 8.884 -10.384 -4.881 1.00 0.00 C ATOM 1617 C ASN A 104 8.260 -9.015 -5.162 1.00 0.00 C ATOM 1618 O ASN A 104 8.964 -8.018 -5.316 1.00 0.00 O ATOM 1619 CB ASN A 104 10.402 -10.376 -5.119 1.00 0.00 C ATOM 1620 CG ASN A 104 11.055 -11.652 -4.621 1.00 0.00 C ATOM 1621 OD1 ASN A 104 10.826 -12.742 -5.132 1.00 0.00 O ATOM 1622 ND2 ASN A 104 11.840 -11.546 -3.567 1.00 0.00 N ATOM 0 H ASN A 104 8.747 -11.686 -6.505 1.00 0.00 H new ATOM 0 HA ASN A 104 8.735 -10.617 -3.827 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.603 -10.256 -6.184 1.00 0.00 H new ATOM 0 HB3 ASN A 104 10.845 -9.519 -4.612 1.00 0.00 H new ATOM 0 HD21 ASN A 104 12.268 -12.380 -3.164 1.00 0.00 H new ATOM 0 HD22 ASN A 104 12.019 -10.630 -3.155 1.00 0.00 H new ATOM 1629 N SER A 105 6.932 -8.938 -5.240 1.00 0.00 N ATOM 1630 CA SER A 105 6.207 -7.688 -5.366 1.00 0.00 C ATOM 1631 C SER A 105 5.006 -7.740 -4.437 1.00 0.00 C ATOM 1632 O SER A 105 4.493 -8.823 -4.141 1.00 0.00 O ATOM 1633 CB SER A 105 5.828 -7.448 -6.837 1.00 0.00 C ATOM 1634 OG SER A 105 4.916 -8.416 -7.327 1.00 0.00 O ATOM 0 H SER A 105 6.326 -9.758 -5.216 1.00 0.00 H new ATOM 0 HA SER A 105 6.823 -6.839 -5.070 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.389 -6.456 -6.938 1.00 0.00 H new ATOM 0 HB3 SER A 105 6.730 -7.461 -7.448 1.00 0.00 H new ATOM 0 HG SER A 105 4.827 -8.319 -8.298 1.00 0.00 H new ATOM 1640 N ILE A 106 4.526 -6.574 -4.012 1.00 0.00 N ATOM 1641 CA ILE A 106 3.303 -6.443 -3.229 1.00 0.00 C ATOM 1642 C ILE A 106 2.256 -5.799 -4.145 1.00 0.00 C ATOM 1643 O ILE A 106 2.624 -5.024 -5.033 1.00 0.00 O ATOM 1644 CB ILE A 106 3.615 -5.678 -1.925 1.00 0.00 C ATOM 1645 CG1 ILE A 106 2.432 -5.739 -0.933 1.00 0.00 C ATOM 1646 CG2 ILE A 106 4.183 -4.259 -2.138 1.00 0.00 C ATOM 1647 CD1 ILE A 106 1.414 -4.594 -1.010 1.00 0.00 C ATOM 0 H ILE A 106 4.983 -5.683 -4.205 1.00 0.00 H new ATOM 0 HA ILE A 106 2.890 -7.395 -2.895 1.00 0.00 H new ATOM 0 HB ILE A 106 4.443 -6.209 -1.455 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.902 -6.678 -1.092 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.836 -5.768 0.079 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.373 -3.794 -1.171 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.115 -4.321 -2.700 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.463 -3.658 -2.694 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.634 -4.750 -0.265 1.00 0.00 H new ATOM 0 HD12 ILE A 106 1.917 -3.647 -0.815 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.967 -4.570 -2.004 1.00 0.00 H new ATOM 1659 N GLN A 107 0.968 -6.116 -3.969 1.00 0.00 N ATOM 1660 CA GLN A 107 -0.132 -5.398 -4.605 1.00 0.00 C ATOM 1661 C GLN A 107 -1.398 -5.517 -3.750 1.00 0.00 C ATOM 1662 O GLN A 107 -1.767 -6.606 -3.311 1.00 0.00 O ATOM 1663 CB GLN A 107 -0.361 -5.991 -6.011 1.00 0.00 C ATOM 1664 CG GLN A 107 -1.515 -5.348 -6.796 1.00 0.00 C ATOM 1665 CD GLN A 107 -1.971 -6.190 -7.985 1.00 0.00 C ATOM 1666 OE1 GLN A 107 -2.061 -7.414 -7.903 1.00 0.00 O ATOM 1667 NE2 GLN A 107 -2.368 -5.542 -9.057 1.00 0.00 N ATOM 0 H GLN A 107 0.662 -6.886 -3.375 1.00 0.00 H new ATOM 0 HA GLN A 107 0.113 -4.340 -4.697 1.00 0.00 H new ATOM 0 HB2 GLN A 107 0.557 -5.886 -6.589 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -0.556 -7.059 -5.913 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -2.359 -5.190 -6.125 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -1.202 -4.366 -7.152 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -2.283 -4.526 -9.100 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -2.762 -6.055 -9.846 1.00 0.00 H new ATOM 1676 N ILE A 108 -2.133 -4.416 -3.594 1.00 0.00 N ATOM 1677 CA ILE A 108 -3.395 -4.360 -2.858 1.00 0.00 C ATOM 1678 C ILE A 108 -4.501 -4.364 -3.916 1.00 0.00 C ATOM 1679 O ILE A 108 -4.261 -3.933 -5.048 1.00 0.00 O ATOM 1680 CB ILE A 108 -3.431 -3.093 -1.962 1.00 0.00 C ATOM 1681 CG1 ILE A 108 -2.271 -3.085 -0.936 1.00 0.00 C ATOM 1682 CG2 ILE A 108 -4.768 -2.977 -1.213 1.00 0.00 C ATOM 1683 CD1 ILE A 108 -2.145 -1.777 -0.139 1.00 0.00 C ATOM 0 H ILE A 108 -1.860 -3.515 -3.986 1.00 0.00 H new ATOM 0 HA ILE A 108 -3.523 -5.207 -2.184 1.00 0.00 H new ATOM 0 HB ILE A 108 -3.317 -2.238 -2.628 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -2.412 -3.910 -0.238 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -1.334 -3.269 -1.462 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -4.762 -2.080 -0.594 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -5.584 -2.916 -1.933 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -4.908 -3.853 -0.580 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -1.309 -1.854 0.557 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -1.971 -0.948 -0.825 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -3.065 -1.600 0.418 1.00 0.00 H new ATOM 1695 N LYS A 109 -5.700 -4.841 -3.574 1.00 0.00 N ATOM 1696 CA LYS A 109 -6.867 -4.758 -4.448 1.00 0.00 C ATOM 1697 C LYS A 109 -8.150 -4.599 -3.643 1.00 0.00 C ATOM 1698 O LYS A 109 -8.108 -4.851 -2.437 1.00 0.00 O ATOM 1699 CB LYS A 109 -6.861 -5.927 -5.451 1.00 0.00 C ATOM 1700 CG LYS A 109 -6.614 -7.315 -4.815 1.00 0.00 C ATOM 1701 CD LYS A 109 -5.777 -8.237 -5.706 1.00 0.00 C ATOM 1702 CE LYS A 109 -4.369 -7.714 -6.073 1.00 0.00 C ATOM 1703 NZ LYS A 109 -3.290 -8.149 -5.157 1.00 0.00 N ATOM 0 H LYS A 109 -5.887 -5.296 -2.681 1.00 0.00 H new ATOM 0 HA LYS A 109 -6.817 -3.853 -5.053 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -7.817 -5.946 -5.974 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -6.091 -5.742 -6.201 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -6.109 -7.186 -3.858 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -7.573 -7.790 -4.608 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -5.668 -9.198 -5.203 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -6.329 -8.420 -6.628 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -4.125 -8.044 -7.083 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -4.394 -6.624 -6.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -2.990 -7.346 -4.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -3.641 -8.914 -4.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -2.481 -8.493 -5.712 1.00 0.00 H new ATOM 1717 N ALA A 110 -9.261 -4.123 -4.228 1.00 0.00 N ATOM 1718 CA ALA A 110 -10.500 -4.027 -3.460 1.00 0.00 C ATOM 1719 C ALA A 110 -11.727 -4.051 -4.364 1.00 0.00 C ATOM 1720 O ALA A 110 -11.646 -3.621 -5.514 1.00 0.00 O ATOM 1721 CB ALA A 110 -10.493 -2.716 -2.668 1.00 0.00 C ATOM 0 H ALA A 110 -9.323 -3.810 -5.197 1.00 0.00 H new ATOM 0 HA ALA A 110 -10.553 -4.887 -2.792 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -11.414 -2.635 -2.091 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -9.639 -2.704 -1.991 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.421 -1.875 -3.357 1.00 0.00 H new ATOM 1727 N LEU A 111 -12.869 -4.442 -3.789 1.00 0.00 N ATOM 1728 CA LEU A 111 -14.196 -4.163 -4.327 1.00 0.00 C ATOM 1729 C LEU A 111 -14.418 -2.665 -4.210 1.00 0.00 C ATOM 1730 O LEU A 111 -14.435 -2.153 -3.091 1.00 0.00 O ATOM 1731 CB LEU A 111 -15.267 -4.906 -3.506 1.00 0.00 C ATOM 1732 CG LEU A 111 -16.704 -4.611 -3.992 1.00 0.00 C ATOM 1733 CD1 LEU A 111 -17.081 -5.488 -5.185 1.00 0.00 C ATOM 1734 CD2 LEU A 111 -17.717 -4.837 -2.868 1.00 0.00 C ATOM 0 H LEU A 111 -12.892 -4.972 -2.918 1.00 0.00 H new ATOM 0 HA LEU A 111 -14.268 -4.494 -5.363 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -15.082 -5.979 -3.562 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -15.177 -4.622 -2.458 1.00 0.00 H new ATOM 0 HG LEU A 111 -16.728 -3.566 -4.299 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -18.098 -5.255 -5.501 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -16.392 -5.298 -6.008 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -17.022 -6.538 -4.898 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -18.721 -4.623 -3.235 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -17.666 -5.874 -2.535 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -17.487 -4.176 -2.033 1.00 0.00 H new ATOM 1746 N SER A 112 -14.627 -1.986 -5.331 1.00 0.00 N ATOM 1747 CA SER A 112 -15.041 -0.594 -5.330 1.00 0.00 C ATOM 1748 C SER A 112 -16.563 -0.543 -5.444 1.00 0.00 C ATOM 1749 O SER A 112 -17.271 -0.419 -4.444 1.00 0.00 O ATOM 1750 CB SER A 112 -14.310 0.153 -6.453 1.00 0.00 C ATOM 1751 OG SER A 112 -14.899 1.418 -6.636 1.00 0.00 O ATOM 0 H SER A 112 -14.514 -2.386 -6.262 1.00 0.00 H new ATOM 0 HA SER A 112 -14.771 -0.090 -4.402 1.00 0.00 H new ATOM 0 HB2 SER A 112 -13.255 0.264 -6.204 1.00 0.00 H new ATOM 0 HB3 SER A 112 -14.360 -0.421 -7.378 1.00 0.00 H new ATOM 0 HG SER A 112 -14.206 2.071 -6.869 1.00 0.00 H new ATOM 1757 N SER A 113 -17.057 -0.646 -6.671 1.00 0.00 N ATOM 1758 CA SER A 113 -18.459 -0.582 -7.023 1.00 0.00 C ATOM 1759 C SER A 113 -18.959 -2.024 -7.133 1.00 0.00 C ATOM 1760 O SER A 113 -18.161 -2.962 -7.022 1.00 0.00 O ATOM 1761 CB SER A 113 -18.588 0.239 -8.318 1.00 0.00 C ATOM 1762 OG SER A 113 -19.933 0.557 -8.625 1.00 0.00 O ATOM 0 H SER A 113 -16.456 -0.783 -7.484 1.00 0.00 H new ATOM 0 HA SER A 113 -19.078 -0.080 -6.280 1.00 0.00 H new ATOM 0 HB2 SER A 113 -18.013 1.160 -8.220 1.00 0.00 H new ATOM 0 HB3 SER A 113 -18.152 -0.322 -9.145 1.00 0.00 H new ATOM 0 HG SER A 113 -19.965 1.080 -9.453 1.00 0.00 H new ATOM 1768 N GLY A 114 -20.254 -2.205 -7.367 1.00 0.00 N ATOM 1769 CA GLY A 114 -20.914 -3.484 -7.568 1.00 0.00 C ATOM 1770 C GLY A 114 -20.123 -4.399 -8.506 1.00 0.00 C ATOM 1771 O GLY A 114 -20.247 -4.301 -9.723 1.00 0.00 O ATOM 0 H GLY A 114 -20.903 -1.420 -7.424 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -21.046 -3.979 -6.606 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -21.909 -3.317 -7.979 1.00 0.00 H new ATOM 1775 N THR A 115 -19.341 -5.290 -7.896 1.00 0.00 N ATOM 1776 CA THR A 115 -18.513 -6.386 -8.394 1.00 0.00 C ATOM 1777 C THR A 115 -17.292 -5.902 -9.212 1.00 0.00 C ATOM 1778 O THR A 115 -16.443 -6.725 -9.568 1.00 0.00 O ATOM 1779 CB THR A 115 -19.390 -7.533 -8.928 1.00 0.00 C ATOM 1780 OG1 THR A 115 -18.754 -8.795 -8.825 1.00 0.00 O ATOM 1781 CG2 THR A 115 -19.648 -7.397 -10.408 1.00 0.00 C ATOM 0 H THR A 115 -19.265 -5.249 -6.880 1.00 0.00 H new ATOM 0 HA THR A 115 -17.982 -6.872 -7.576 1.00 0.00 H new ATOM 0 HB THR A 115 -20.297 -7.474 -8.327 1.00 0.00 H new ATOM 0 HG1 THR A 115 -19.349 -9.491 -9.174 1.00 0.00 H new ATOM 0 HG21 THR A 115 -20.270 -8.225 -10.746 1.00 0.00 H new ATOM 0 HG22 THR A 115 -20.160 -6.455 -10.603 1.00 0.00 H new ATOM 0 HG23 THR A 115 -18.700 -7.412 -10.946 1.00 0.00 H new ATOM 1789 N THR A 116 -17.132 -4.587 -9.394 1.00 0.00 N ATOM 1790 CA THR A 116 -15.906 -3.956 -9.833 1.00 0.00 C ATOM 1791 C THR A 116 -14.854 -4.224 -8.784 1.00 0.00 C ATOM 1792 O THR A 116 -15.041 -3.960 -7.592 1.00 0.00 O ATOM 1793 CB THR A 116 -16.076 -2.437 -9.943 1.00 0.00 C ATOM 1794 OG1 THR A 116 -16.961 -2.120 -11.005 1.00 0.00 O ATOM 1795 CG2 THR A 116 -14.756 -1.646 -10.076 1.00 0.00 C ATOM 0 H THR A 116 -17.885 -3.919 -9.231 1.00 0.00 H new ATOM 0 HA THR A 116 -15.631 -4.354 -10.810 1.00 0.00 H new ATOM 0 HB THR A 116 -16.502 -2.118 -8.992 1.00 0.00 H new ATOM 0 HG1 THR A 116 -17.064 -1.147 -11.066 1.00 0.00 H new ATOM 0 HG21 THR A 116 -14.976 -0.581 -10.148 1.00 0.00 H new ATOM 0 HG22 THR A 116 -14.132 -1.830 -9.201 1.00 0.00 H new ATOM 0 HG23 THR A 116 -14.227 -1.969 -10.973 1.00 0.00 H new ATOM 1803 N PHE A 117 -13.696 -4.612 -9.268 1.00 0.00 N ATOM 1804 CA PHE A 117 -12.512 -4.796 -8.479 1.00 0.00 C ATOM 1805 C PHE A 117 -11.426 -3.954 -9.132 1.00 0.00 C ATOM 1806 O PHE A 117 -11.122 -4.095 -10.317 1.00 0.00 O ATOM 1807 CB PHE A 117 -12.214 -6.290 -8.385 1.00 0.00 C ATOM 1808 CG PHE A 117 -12.220 -6.822 -6.973 1.00 0.00 C ATOM 1809 CD1 PHE A 117 -13.444 -7.160 -6.371 1.00 0.00 C ATOM 1810 CD2 PHE A 117 -11.016 -6.972 -6.258 1.00 0.00 C ATOM 1811 CE1 PHE A 117 -13.467 -7.689 -5.071 1.00 0.00 C ATOM 1812 CE2 PHE A 117 -11.044 -7.471 -4.942 1.00 0.00 C ATOM 1813 CZ PHE A 117 -12.268 -7.837 -4.355 1.00 0.00 C ATOM 0 H PHE A 117 -13.554 -4.814 -10.258 1.00 0.00 H new ATOM 0 HA PHE A 117 -12.606 -4.461 -7.446 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -12.952 -6.836 -8.973 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -11.240 -6.486 -8.834 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -14.369 -7.013 -6.909 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -10.076 -6.705 -6.717 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -14.405 -7.982 -4.622 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -10.125 -7.573 -4.383 1.00 0.00 H new ATOM 0 HZ PHE A 117 -12.286 -8.233 -3.350 1.00 0.00 H new ATOM 1823 N VAL A 118 -10.892 -3.015 -8.363 1.00 0.00 N ATOM 1824 CA VAL A 118 -9.677 -2.314 -8.738 1.00 0.00 C ATOM 1825 C VAL A 118 -8.539 -3.296 -8.531 1.00 0.00 C ATOM 1826 O VAL A 118 -8.564 -4.062 -7.556 1.00 0.00 O ATOM 1827 CB VAL A 118 -9.541 -1.021 -7.890 1.00 0.00 C ATOM 1828 CG1 VAL A 118 -9.816 -1.183 -6.396 1.00 0.00 C ATOM 1829 CG2 VAL A 118 -8.435 -0.052 -8.338 1.00 0.00 C ATOM 0 H VAL A 118 -11.287 -2.721 -7.469 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.678 -1.986 -9.777 1.00 0.00 H new ATOM 0 HB VAL A 118 -10.413 -0.425 -8.160 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -9.694 -0.222 -5.897 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -10.835 -1.540 -6.250 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -9.115 -1.903 -5.973 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -8.425 0.817 -7.680 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -7.469 -0.555 -8.290 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -8.626 0.270 -9.362 1.00 0.00 H new ATOM 1839 N TYR A 119 -7.453 -3.138 -9.286 1.00 0.00 N ATOM 1840 CA TYR A 119 -6.151 -3.714 -8.953 1.00 0.00 C ATOM 1841 C TYR A 119 -5.082 -2.635 -9.053 1.00 0.00 C ATOM 1842 O TYR A 119 -5.012 -1.932 -10.059 1.00 0.00 O ATOM 1843 CB TYR A 119 -5.890 -4.901 -9.880 1.00 0.00 C ATOM 1844 CG TYR A 119 -7.010 -5.921 -9.904 1.00 0.00 C ATOM 1845 CD1 TYR A 119 -8.111 -5.720 -10.751 1.00 0.00 C ATOM 1846 CD2 TYR A 119 -6.986 -7.031 -9.047 1.00 0.00 C ATOM 1847 CE1 TYR A 119 -9.188 -6.615 -10.749 1.00 0.00 C ATOM 1848 CE2 TYR A 119 -8.047 -7.957 -9.059 1.00 0.00 C ATOM 1849 CZ TYR A 119 -9.156 -7.754 -9.915 1.00 0.00 C ATOM 1850 OH TYR A 119 -10.198 -8.632 -9.890 1.00 0.00 O ATOM 0 H TYR A 119 -7.452 -2.602 -10.154 1.00 0.00 H new ATOM 0 HA TYR A 119 -6.131 -4.085 -7.928 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -5.728 -4.530 -10.892 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -4.969 -5.395 -9.571 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -8.128 -4.866 -11.412 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -6.152 -7.176 -8.376 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -10.042 -6.434 -11.385 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -8.015 -8.823 -8.414 1.00 0.00 H new ATOM 0 HH TYR A 119 -10.001 -9.356 -9.259 1.00 0.00 H new ATOM 1860 N SER A 120 -4.301 -2.435 -7.984 1.00 0.00 N ATOM 1861 CA SER A 120 -3.312 -1.368 -7.931 1.00 0.00 C ATOM 1862 C SER A 120 -2.121 -1.707 -8.857 1.00 0.00 C ATOM 1863 O SER A 120 -2.122 -2.759 -9.503 1.00 0.00 O ATOM 1864 CB SER A 120 -2.927 -1.113 -6.478 1.00 0.00 C ATOM 1865 OG SER A 120 -1.817 -1.767 -5.916 1.00 0.00 O ATOM 0 H SER A 120 -4.341 -3.007 -7.141 1.00 0.00 H new ATOM 0 HA SER A 120 -3.722 -0.432 -8.310 1.00 0.00 H new ATOM 0 HB2 SER A 120 -2.759 -0.041 -6.371 1.00 0.00 H new ATOM 0 HB3 SER A 120 -3.793 -1.362 -5.865 1.00 0.00 H new ATOM 0 HG SER A 120 -1.712 -1.489 -4.982 1.00 0.00 H new ATOM 1871 N GLN A 121 -1.072 -0.878 -8.899 1.00 0.00 N ATOM 1872 CA GLN A 121 0.053 -1.080 -9.826 1.00 0.00 C ATOM 1873 C GLN A 121 1.151 -1.871 -9.139 1.00 0.00 C ATOM 1874 O GLN A 121 1.586 -1.472 -8.060 1.00 0.00 O ATOM 1875 CB GLN A 121 0.608 0.233 -10.377 1.00 0.00 C ATOM 1876 CG GLN A 121 1.087 1.198 -9.287 1.00 0.00 C ATOM 1877 CD GLN A 121 1.494 2.590 -9.726 1.00 0.00 C ATOM 1878 OE1 GLN A 121 1.329 2.971 -10.882 1.00 0.00 O ATOM 1879 NE2 GLN A 121 1.979 3.367 -8.765 1.00 0.00 N ATOM 0 H GLN A 121 -0.976 -0.058 -8.301 1.00 0.00 H new ATOM 0 HA GLN A 121 -0.328 -1.641 -10.679 1.00 0.00 H new ATOM 0 HB2 GLN A 121 1.438 0.014 -11.048 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -0.163 0.723 -10.972 1.00 0.00 H new ATOM 0 HG2 GLN A 121 0.291 1.296 -8.548 1.00 0.00 H new ATOM 0 HG3 GLN A 121 1.937 0.741 -8.781 1.00 0.00 H new ATOM 0 HE21 GLN A 121 2.095 2.998 -7.821 1.00 0.00 H new ATOM 0 HE22 GLN A 121 2.235 4.333 -8.971 1.00 0.00 H new ATOM 1888 N LYS A 122 1.574 -2.982 -9.734 1.00 0.00 N ATOM 1889 CA LYS A 122 2.559 -3.906 -9.154 1.00 0.00 C ATOM 1890 C LYS A 122 3.853 -3.163 -8.842 1.00 0.00 C ATOM 1891 O LYS A 122 4.404 -2.522 -9.734 1.00 0.00 O ATOM 1892 CB LYS A 122 2.857 -5.050 -10.140 1.00 0.00 C ATOM 1893 CG LYS A 122 3.845 -6.105 -9.602 1.00 0.00 C ATOM 1894 CD LYS A 122 4.937 -6.526 -10.601 1.00 0.00 C ATOM 1895 CE LYS A 122 6.068 -5.486 -10.715 1.00 0.00 C ATOM 1896 NZ LYS A 122 7.165 -5.966 -11.585 1.00 0.00 N ATOM 0 H LYS A 122 1.239 -3.276 -10.651 1.00 0.00 H new ATOM 0 HA LYS A 122 2.146 -4.319 -8.234 1.00 0.00 H new ATOM 0 HB2 LYS A 122 1.921 -5.544 -10.400 1.00 0.00 H new ATOM 0 HB3 LYS A 122 3.260 -4.626 -11.060 1.00 0.00 H new ATOM 0 HG2 LYS A 122 4.323 -5.712 -8.705 1.00 0.00 H new ATOM 0 HG3 LYS A 122 3.284 -6.990 -9.302 1.00 0.00 H new ATOM 0 HD2 LYS A 122 5.358 -7.483 -10.292 1.00 0.00 H new ATOM 0 HD3 LYS A 122 4.488 -6.678 -11.582 1.00 0.00 H new ATOM 0 HE2 LYS A 122 5.667 -4.554 -11.115 1.00 0.00 H new ATOM 0 HE3 LYS A 122 6.461 -5.264 -9.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 7.665 -5.151 -11.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 7.831 -6.533 -11.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 6.771 -6.551 -12.349 1.00 0.00 H new ATOM 1910 N ILE A 123 4.376 -3.319 -7.624 1.00 0.00 N ATOM 1911 CA ILE A 123 5.685 -2.804 -7.248 1.00 0.00 C ATOM 1912 C ILE A 123 6.508 -3.974 -6.728 1.00 0.00 C ATOM 1913 O ILE A 123 6.259 -4.491 -5.636 1.00 0.00 O ATOM 1914 CB ILE A 123 5.555 -1.632 -6.245 1.00 0.00 C ATOM 1915 CG1 ILE A 123 4.587 -0.498 -6.666 1.00 0.00 C ATOM 1916 CG2 ILE A 123 6.912 -1.001 -5.904 1.00 0.00 C ATOM 1917 CD1 ILE A 123 4.987 0.318 -7.900 1.00 0.00 C ATOM 0 H ILE A 123 3.896 -3.810 -6.869 1.00 0.00 H new ATOM 0 HA ILE A 123 6.204 -2.376 -8.106 1.00 0.00 H new ATOM 0 HB ILE A 123 5.124 -2.117 -5.369 1.00 0.00 H new ATOM 0 HG12 ILE A 123 3.606 -0.937 -6.850 1.00 0.00 H new ATOM 0 HG13 ILE A 123 4.477 0.187 -5.825 1.00 0.00 H new ATOM 0 HG21 ILE A 123 6.766 -0.184 -5.197 1.00 0.00 H new ATOM 0 HG22 ILE A 123 7.562 -1.754 -5.459 1.00 0.00 H new ATOM 0 HG23 ILE A 123 7.373 -0.616 -6.814 1.00 0.00 H new ATOM 0 HD11 ILE A 123 4.231 1.080 -8.093 1.00 0.00 H new ATOM 0 HD12 ILE A 123 5.949 0.798 -7.722 1.00 0.00 H new ATOM 0 HD13 ILE A 123 5.065 -0.343 -8.763 1.00 0.00 H new ATOM 1929 N ASP A 124 7.435 -4.424 -7.575 1.00 0.00 N ATOM 1930 CA ASP A 124 8.519 -5.350 -7.246 1.00 0.00 C ATOM 1931 C ASP A 124 9.472 -4.657 -6.280 1.00 0.00 C ATOM 1932 O ASP A 124 9.634 -3.440 -6.367 1.00 0.00 O ATOM 1933 CB ASP A 124 9.252 -5.740 -8.540 1.00 0.00 C ATOM 1934 CG ASP A 124 9.100 -7.209 -8.906 1.00 0.00 C ATOM 1935 OD1 ASP A 124 8.114 -7.558 -9.600 1.00 0.00 O ATOM 1936 OD2 ASP A 124 10.020 -7.979 -8.579 1.00 0.00 O ATOM 0 H ASP A 124 7.451 -4.139 -8.554 1.00 0.00 H new ATOM 0 HA ASP A 124 8.128 -6.253 -6.778 1.00 0.00 H new ATOM 0 HB2 ASP A 124 8.875 -5.129 -9.360 1.00 0.00 H new ATOM 0 HB3 ASP A 124 10.312 -5.509 -8.431 1.00 0.00 H new ATOM 1941 N PHE A 125 10.118 -5.393 -5.383 1.00 0.00 N ATOM 1942 CA PHE A 125 11.101 -4.882 -4.436 1.00 0.00 C ATOM 1943 C PHE A 125 12.231 -5.907 -4.280 1.00 0.00 C ATOM 1944 O PHE A 125 12.104 -7.053 -4.709 1.00 0.00 O ATOM 1945 CB PHE A 125 10.405 -4.555 -3.100 1.00 0.00 C ATOM 1946 CG PHE A 125 9.732 -5.738 -2.431 1.00 0.00 C ATOM 1947 CD1 PHE A 125 10.525 -6.698 -1.778 1.00 0.00 C ATOM 1948 CD2 PHE A 125 8.328 -5.888 -2.455 1.00 0.00 C ATOM 1949 CE1 PHE A 125 9.934 -7.848 -1.242 1.00 0.00 C ATOM 1950 CE2 PHE A 125 7.736 -7.029 -1.887 1.00 0.00 C ATOM 1951 CZ PHE A 125 8.544 -8.034 -1.328 1.00 0.00 C ATOM 0 H PHE A 125 9.966 -6.398 -5.292 1.00 0.00 H new ATOM 0 HA PHE A 125 11.547 -3.957 -4.801 1.00 0.00 H new ATOM 0 HB2 PHE A 125 11.142 -4.138 -2.414 1.00 0.00 H new ATOM 0 HB3 PHE A 125 9.658 -3.780 -3.275 1.00 0.00 H new ATOM 0 HD1 PHE A 125 11.591 -6.548 -1.690 1.00 0.00 H new ATOM 0 HD2 PHE A 125 7.710 -5.127 -2.909 1.00 0.00 H new ATOM 0 HE1 PHE A 125 10.548 -8.595 -0.761 1.00 0.00 H new ATOM 0 HE2 PHE A 125 6.661 -7.134 -1.880 1.00 0.00 H new ATOM 0 HZ PHE A 125 8.097 -8.948 -0.965 1.00 0.00 H new ATOM 1961 N GLU A 126 13.331 -5.509 -3.635 1.00 0.00 N ATOM 1962 CA GLU A 126 14.499 -6.364 -3.461 1.00 0.00 C ATOM 1963 C GLU A 126 14.691 -6.639 -1.974 1.00 0.00 C ATOM 1964 O GLU A 126 14.383 -5.779 -1.145 1.00 0.00 O ATOM 1965 CB GLU A 126 15.706 -5.756 -4.192 1.00 0.00 C ATOM 1966 CG GLU A 126 15.412 -5.714 -5.703 1.00 0.00 C ATOM 1967 CD GLU A 126 16.608 -5.300 -6.545 1.00 0.00 C ATOM 1968 OE1 GLU A 126 17.009 -4.114 -6.507 1.00 0.00 O ATOM 1969 OE2 GLU A 126 17.095 -6.138 -7.336 1.00 0.00 O ATOM 0 H GLU A 126 13.433 -4.583 -3.220 1.00 0.00 H new ATOM 0 HA GLU A 126 14.364 -7.341 -3.925 1.00 0.00 H new ATOM 0 HB2 GLU A 126 15.904 -4.751 -3.819 1.00 0.00 H new ATOM 0 HB3 GLU A 126 16.600 -6.349 -3.999 1.00 0.00 H new ATOM 0 HG2 GLU A 126 15.074 -6.699 -6.026 1.00 0.00 H new ATOM 0 HG3 GLU A 126 14.592 -5.020 -5.886 1.00 0.00 H new ATOM 1976 N ARG A 127 15.132 -7.862 -1.661 1.00 0.00 N ATOM 1977 CA ARG A 127 15.185 -8.438 -0.321 1.00 0.00 C ATOM 1978 C ARG A 127 16.626 -8.384 0.176 1.00 0.00 C ATOM 1979 O ARG A 127 17.361 -9.366 0.056 1.00 0.00 O ATOM 1980 CB ARG A 127 14.675 -9.891 -0.353 1.00 0.00 C ATOM 1981 CG ARG A 127 13.169 -10.068 -0.555 1.00 0.00 C ATOM 1982 CD ARG A 127 12.389 -10.025 0.757 1.00 0.00 C ATOM 1983 NE ARG A 127 12.602 -11.226 1.583 1.00 0.00 N ATOM 1984 CZ ARG A 127 12.054 -11.422 2.786 1.00 0.00 C ATOM 1985 NH1 ARG A 127 11.628 -10.399 3.520 1.00 0.00 N ATOM 1986 NH2 ARG A 127 11.910 -12.657 3.242 1.00 0.00 N ATOM 0 H ARG A 127 15.478 -8.505 -2.373 1.00 0.00 H new ATOM 0 HA ARG A 127 14.547 -7.871 0.357 1.00 0.00 H new ATOM 0 HB2 ARG A 127 15.194 -10.420 -1.153 1.00 0.00 H new ATOM 0 HB3 ARG A 127 14.955 -10.374 0.583 1.00 0.00 H new ATOM 0 HG2 ARG A 127 12.801 -9.285 -1.217 1.00 0.00 H new ATOM 0 HG3 ARG A 127 12.983 -11.020 -1.053 1.00 0.00 H new ATOM 0 HD2 ARG A 127 12.686 -9.142 1.323 1.00 0.00 H new ATOM 0 HD3 ARG A 127 11.326 -9.922 0.540 1.00 0.00 H new ATOM 0 HE ARG A 127 13.209 -11.957 1.212 1.00 0.00 H new ATOM 0 HH11 ARG A 127 11.717 -9.446 3.167 1.00 0.00 H new ATOM 0 HH12 ARG A 127 11.212 -10.567 4.436 1.00 0.00 H new ATOM 0 HH21 ARG A 127 12.216 -13.449 2.676 1.00 0.00 H new ATOM 0 HH22 ARG A 127 11.493 -12.817 4.159 1.00 0.00 H new ATOM 2000 N GLU A 128 16.969 -7.234 0.749 1.00 0.00 N ATOM 2001 CA GLU A 128 18.262 -6.886 1.347 1.00 0.00 C ATOM 2002 C GLU A 128 19.441 -7.047 0.384 1.00 0.00 C ATOM 2003 O GLU A 128 20.577 -6.685 0.763 1.00 0.00 O ATOM 2004 CB GLU A 128 18.453 -7.617 2.691 1.00 0.00 C ATOM 2005 CG GLU A 128 17.392 -7.214 3.719 1.00 0.00 C ATOM 2006 CD GLU A 128 17.464 -7.890 5.095 1.00 0.00 C ATOM 2007 OE1 GLU A 128 17.489 -9.140 5.206 1.00 0.00 O ATOM 2008 OE2 GLU A 128 17.342 -7.153 6.099 1.00 0.00 O ATOM 0 H GLU A 128 16.305 -6.462 0.814 1.00 0.00 H new ATOM 0 HA GLU A 128 18.246 -5.818 1.563 1.00 0.00 H new ATOM 0 HB2 GLU A 128 18.409 -8.694 2.528 1.00 0.00 H new ATOM 0 HB3 GLU A 128 19.444 -7.395 3.087 1.00 0.00 H new ATOM 0 HG2 GLU A 128 17.456 -6.136 3.867 1.00 0.00 H new ATOM 0 HG3 GLU A 128 16.411 -7.419 3.291 1.00 0.00 H new