USER MOD reduce.3.24.130724 H: found=0, std=0, add=922, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 922 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 104 SER OG : rot -41:sc= 0.43 USER MOD Set 1.2: A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -0.0415 X(o=-0.042,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= -0.137 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.312 K(o=-0.31,f=-5.9!) USER MOD Single : A 30 ASN : amide:sc= -0.0458 X(o=-0.046,f=-0.41) USER MOD Single : A 31 MET CE :methyl -117:sc= -4.24! (180deg=-11.4!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -2.35! C(o=-2.3!,f=-7.1!) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.149 USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 10:sc= 0.939 USER MOD Single : A 42 GLN : amide:sc= -3.8 K(o=-3.8,f=-3.1!) USER MOD Single : A 44 GLN : amide:sc= -0.35 X(o=-0.35,f=-0.33) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 97:sc= -0.0425 USER MOD Single : A 47 ASN : amide:sc= -0.0795 X(o=-0.08,f=-0.19) USER MOD Single : A 52 MET CE :methyl 167:sc=-0.00993 (180deg=-0.0426) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.137 USER MOD Single : A 55 THR OG1 : rot 54:sc=0.000617 USER MOD Single : A 59 ASN : amide:sc= -1.51! C(o=-1.5!,f=-1.4!) USER MOD Single : A 61 THR OG1 : rot 13:sc= 0.0193 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -161:sc= -1.23 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -121:sc= 0.00461 (180deg=-0.0233) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= -0.0686 USER MOD Single : A 111 ASN : amide:sc= -0.129! C(o=-0.13!,f=-8.3!) USER MOD Single : A 114 LYS NZ :NH3+ 161:sc= 0.00714 (180deg=0) USER MOD Single : A 118 TYR OH : rot -176:sc= 0.957 USER MOD Single : A 119 LYS NZ :NH3+ -135:sc= -0.0403 (180deg=-0.811) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -9.411 19.979 -1.517 1.00 0.00 N ATOM 60 CA GLY A 7 -8.449 18.890 -1.537 1.00 0.00 C ATOM 61 C GLY A 7 -7.267 19.219 -2.451 1.00 0.00 C ATOM 62 O GLY A 7 -7.291 20.220 -3.167 1.00 0.00 O ATOM 0 HA2 GLY A 7 -8.089 18.699 -0.526 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.935 17.977 -1.880 1.00 0.00 H new ATOM 66 N PRO A 8 -6.235 18.336 -2.397 1.00 0.00 N ATOM 67 CA PRO A 8 -5.046 18.522 -3.212 1.00 0.00 C ATOM 68 C PRO A 8 -5.321 18.164 -4.673 1.00 0.00 C ATOM 69 O PRO A 8 -6.475 18.020 -5.074 1.00 0.00 O ATOM 70 CB PRO A 8 -3.988 17.638 -2.572 1.00 0.00 C ATOM 71 CG PRO A 8 -4.745 16.639 -1.711 1.00 0.00 C ATOM 72 CD PRO A 8 -6.172 17.140 -1.562 1.00 0.00 C ATOM 0 HA PRO A 8 -4.714 19.560 -3.241 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.394 17.129 -3.330 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.298 18.229 -1.970 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -4.733 15.651 -2.172 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.271 16.540 -0.734 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.891 16.390 -1.890 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.404 17.370 -0.522 1.00 0.00 H new ATOM 80 N HIS A 9 -4.242 18.030 -5.430 1.00 0.00 N ATOM 81 CA HIS A 9 -4.352 17.691 -6.839 1.00 0.00 C ATOM 82 C HIS A 9 -2.958 17.441 -7.417 1.00 0.00 C ATOM 83 O HIS A 9 -2.060 18.266 -7.260 1.00 0.00 O ATOM 84 CB HIS A 9 -5.124 18.772 -7.598 1.00 0.00 C ATOM 85 CG HIS A 9 -4.620 20.174 -7.353 1.00 0.00 C ATOM 86 ND1 HIS A 9 -5.238 21.050 -6.477 1.00 0.00 N ATOM 87 CD2 HIS A 9 -3.552 20.842 -7.876 1.00 0.00 C ATOM 88 CE1 HIS A 9 -4.564 22.191 -6.482 1.00 0.00 C ATOM 89 NE2 HIS A 9 -3.519 22.060 -7.350 1.00 0.00 N ATOM 0 H HIS A 9 -3.286 18.150 -5.094 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.924 16.770 -6.952 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -5.071 18.560 -8.666 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -6.175 18.720 -7.314 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -2.851 20.446 -8.597 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -4.800 23.070 -5.901 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -2.827 22.779 -7.560 1.00 0.00 H new ATOM 97 N GLY A 10 -2.822 16.298 -8.074 1.00 0.00 N ATOM 98 CA GLY A 10 -1.552 15.929 -8.676 1.00 0.00 C ATOM 99 C GLY A 10 -1.442 14.411 -8.834 1.00 0.00 C ATOM 100 O GLY A 10 -2.454 13.713 -8.890 1.00 0.00 O ATOM 0 H GLY A 10 -3.570 15.616 -8.202 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.454 16.408 -9.650 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.732 16.294 -8.058 1.00 0.00 H new ATOM 104 N THR A 11 -0.204 13.944 -8.902 1.00 0.00 N ATOM 105 CA THR A 11 0.052 12.521 -9.052 1.00 0.00 C ATOM 106 C THR A 11 0.551 11.927 -7.734 1.00 0.00 C ATOM 107 O THR A 11 1.137 12.631 -6.914 1.00 0.00 O ATOM 108 CB THR A 11 1.034 12.337 -10.212 1.00 0.00 C ATOM 109 OG1 THR A 11 0.232 12.513 -11.377 1.00 0.00 O ATOM 110 CG2 THR A 11 1.544 10.899 -10.324 1.00 0.00 C ATOM 0 H THR A 11 0.633 14.525 -8.856 1.00 0.00 H new ATOM 0 HA THR A 11 -0.862 11.978 -9.291 1.00 0.00 H new ATOM 0 HB THR A 11 1.879 13.013 -10.083 1.00 0.00 H new ATOM 0 HG1 THR A 11 0.790 12.412 -12.176 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.237 10.823 -11.162 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.057 10.622 -9.403 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.702 10.226 -10.487 1.00 0.00 H new ATOM 118 N LEU A 12 0.300 10.636 -7.571 1.00 0.00 N ATOM 119 CA LEU A 12 0.716 9.939 -6.366 1.00 0.00 C ATOM 120 C LEU A 12 1.782 8.902 -6.725 1.00 0.00 C ATOM 121 O LEU A 12 1.727 8.293 -7.792 1.00 0.00 O ATOM 122 CB LEU A 12 -0.497 9.350 -5.642 1.00 0.00 C ATOM 123 CG LEU A 12 -0.194 8.295 -4.576 1.00 0.00 C ATOM 124 CD1 LEU A 12 0.290 6.992 -5.215 1.00 0.00 C ATOM 125 CD2 LEU A 12 0.800 8.830 -3.543 1.00 0.00 C ATOM 0 H LEU A 12 -0.186 10.055 -8.254 1.00 0.00 H new ATOM 0 HA LEU A 12 1.172 10.634 -5.661 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.046 10.166 -5.172 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.159 8.907 -6.386 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.120 8.069 -4.047 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.498 6.260 -4.435 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.482 6.604 -5.880 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.199 7.182 -5.786 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.998 8.061 -2.797 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.731 9.102 -4.041 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.380 9.709 -3.055 1.00 0.00 H new ATOM 137 N GLU A 13 2.728 8.733 -5.812 1.00 0.00 N ATOM 138 CA GLU A 13 3.805 7.780 -6.019 1.00 0.00 C ATOM 139 C GLU A 13 3.902 6.822 -4.829 1.00 0.00 C ATOM 140 O GLU A 13 4.350 7.210 -3.751 1.00 0.00 O ATOM 141 CB GLU A 13 5.135 8.498 -6.255 1.00 0.00 C ATOM 142 CG GLU A 13 6.108 7.609 -7.031 1.00 0.00 C ATOM 143 CD GLU A 13 7.543 7.805 -6.536 1.00 0.00 C ATOM 144 OE1 GLU A 13 7.887 7.160 -5.523 1.00 0.00 O ATOM 145 OE2 GLU A 13 8.263 8.595 -7.183 1.00 0.00 O ATOM 0 H GLU A 13 2.771 9.240 -4.928 1.00 0.00 H new ATOM 0 HA GLU A 13 3.581 7.197 -6.913 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.961 9.421 -6.808 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.576 8.777 -5.298 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.820 6.564 -6.918 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.051 7.843 -8.094 1.00 0.00 H new ATOM 152 N VAL A 14 3.477 5.590 -5.066 1.00 0.00 N ATOM 153 CA VAL A 14 3.510 4.575 -4.027 1.00 0.00 C ATOM 154 C VAL A 14 4.770 3.723 -4.193 1.00 0.00 C ATOM 155 O VAL A 14 4.997 3.145 -5.255 1.00 0.00 O ATOM 156 CB VAL A 14 2.222 3.750 -4.060 1.00 0.00 C ATOM 157 CG1 VAL A 14 2.392 2.437 -3.292 1.00 0.00 C ATOM 158 CG2 VAL A 14 1.041 4.555 -3.515 1.00 0.00 C ATOM 0 H VAL A 14 3.108 5.272 -5.962 1.00 0.00 H new ATOM 0 HA VAL A 14 3.558 5.038 -3.042 1.00 0.00 H new ATOM 0 HB VAL A 14 2.008 3.504 -5.100 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.462 1.870 -3.331 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.193 1.852 -3.744 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.642 2.653 -2.253 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.138 3.945 -3.550 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.243 4.845 -2.484 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.899 5.449 -4.122 1.00 0.00 H new ATOM 168 N VAL A 15 5.557 3.672 -3.128 1.00 0.00 N ATOM 169 CA VAL A 15 6.788 2.901 -3.143 1.00 0.00 C ATOM 170 C VAL A 15 6.674 1.749 -2.143 1.00 0.00 C ATOM 171 O VAL A 15 7.033 1.897 -0.976 1.00 0.00 O ATOM 172 CB VAL A 15 7.982 3.816 -2.867 1.00 0.00 C ATOM 173 CG1 VAL A 15 9.296 3.034 -2.920 1.00 0.00 C ATOM 174 CG2 VAL A 15 8.006 4.995 -3.843 1.00 0.00 C ATOM 0 H VAL A 15 5.366 4.152 -2.249 1.00 0.00 H new ATOM 0 HA VAL A 15 6.953 2.463 -4.127 1.00 0.00 H new ATOM 0 HB VAL A 15 7.871 4.217 -1.859 1.00 0.00 H new ATOM 0 HG11 VAL A 15 10.129 3.708 -2.720 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.280 2.244 -2.169 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.416 2.591 -3.909 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.865 5.630 -3.625 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.081 4.621 -4.864 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.089 5.575 -3.736 1.00 0.00 H new ATOM 184 N LEU A 16 6.174 0.625 -2.637 1.00 0.00 N ATOM 185 CA LEU A 16 6.009 -0.552 -1.801 1.00 0.00 C ATOM 186 C LEU A 16 7.385 -1.065 -1.373 1.00 0.00 C ATOM 187 O LEU A 16 8.002 -1.861 -2.080 1.00 0.00 O ATOM 188 CB LEU A 16 5.156 -1.601 -2.516 1.00 0.00 C ATOM 189 CG LEU A 16 5.058 -2.966 -1.831 1.00 0.00 C ATOM 190 CD1 LEU A 16 4.199 -2.885 -0.568 1.00 0.00 C ATOM 191 CD2 LEU A 16 4.550 -4.032 -2.803 1.00 0.00 C ATOM 0 H LEU A 16 5.878 0.505 -3.606 1.00 0.00 H new ATOM 0 HA LEU A 16 5.466 -0.300 -0.890 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.148 -1.202 -2.634 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.560 -1.747 -3.518 1.00 0.00 H new ATOM 0 HG LEU A 16 6.059 -3.265 -1.520 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.146 -3.868 -0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.644 -2.175 0.130 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.195 -2.554 -0.832 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.490 -4.992 -2.291 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.561 -3.752 -3.166 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.237 -4.113 -3.646 1.00 0.00 H new ATOM 203 N VAL A 17 7.826 -0.590 -0.218 1.00 0.00 N ATOM 204 CA VAL A 17 9.118 -0.991 0.312 1.00 0.00 C ATOM 205 C VAL A 17 9.068 -2.470 0.701 1.00 0.00 C ATOM 206 O VAL A 17 9.400 -3.339 -0.104 1.00 0.00 O ATOM 207 CB VAL A 17 9.512 -0.080 1.477 1.00 0.00 C ATOM 208 CG1 VAL A 17 10.646 -0.698 2.297 1.00 0.00 C ATOM 209 CG2 VAL A 17 9.894 1.315 0.976 1.00 0.00 C ATOM 0 H VAL A 17 7.311 0.069 0.366 1.00 0.00 H new ATOM 0 HA VAL A 17 9.893 -0.880 -0.447 1.00 0.00 H new ATOM 0 HB VAL A 17 8.645 0.024 2.130 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.907 -0.031 3.118 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.323 -1.659 2.699 1.00 0.00 H new ATOM 0 HG13 VAL A 17 11.517 -0.846 1.659 1.00 0.00 H new ATOM 0 HG21 VAL A 17 10.170 1.943 1.823 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.739 1.237 0.292 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.046 1.760 0.456 1.00 0.00 H new ATOM 219 N SER A 18 8.651 -2.711 1.935 1.00 0.00 N ATOM 220 CA SER A 18 8.553 -4.069 2.441 1.00 0.00 C ATOM 221 C SER A 18 7.469 -4.150 3.517 1.00 0.00 C ATOM 222 O SER A 18 6.746 -3.183 3.749 1.00 0.00 O ATOM 223 CB SER A 18 9.894 -4.547 3.001 1.00 0.00 C ATOM 224 OG SER A 18 10.316 -3.765 4.115 1.00 0.00 O ATOM 0 H SER A 18 8.377 -1.988 2.600 1.00 0.00 H new ATOM 0 HA SER A 18 8.283 -4.723 1.612 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.810 -5.591 3.302 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.651 -4.501 2.218 1.00 0.00 H new ATOM 0 HG SER A 18 11.175 -4.102 4.445 1.00 0.00 H new ATOM 230 N ALA A 19 7.391 -5.314 4.147 1.00 0.00 N ATOM 231 CA ALA A 19 6.407 -5.534 5.193 1.00 0.00 C ATOM 232 C ALA A 19 6.956 -6.551 6.197 1.00 0.00 C ATOM 233 O ALA A 19 7.712 -7.447 5.827 1.00 0.00 O ATOM 234 CB ALA A 19 5.087 -5.987 4.567 1.00 0.00 C ATOM 0 H ALA A 19 7.993 -6.114 3.953 1.00 0.00 H new ATOM 0 HA ALA A 19 6.209 -4.609 5.734 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.349 -6.152 5.352 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.725 -5.218 3.885 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.245 -6.915 4.017 1.00 0.00 H new ATOM 240 N LYS A 20 6.553 -6.377 7.447 1.00 0.00 N ATOM 241 CA LYS A 20 6.994 -7.268 8.506 1.00 0.00 C ATOM 242 C LYS A 20 5.798 -7.643 9.383 1.00 0.00 C ATOM 243 O LYS A 20 4.837 -6.881 9.488 1.00 0.00 O ATOM 244 CB LYS A 20 8.154 -6.643 9.283 1.00 0.00 C ATOM 245 CG LYS A 20 9.425 -6.601 8.432 1.00 0.00 C ATOM 246 CD LYS A 20 10.008 -5.187 8.386 1.00 0.00 C ATOM 247 CE LYS A 20 10.697 -4.922 7.046 1.00 0.00 C ATOM 248 NZ LYS A 20 12.135 -4.637 7.250 1.00 0.00 N ATOM 0 H LYS A 20 5.926 -5.632 7.750 1.00 0.00 H new ATOM 0 HA LYS A 20 7.384 -8.195 8.086 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.886 -5.633 9.593 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.339 -7.217 10.191 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.164 -7.290 8.842 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.201 -6.939 7.420 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.214 -4.457 8.541 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.723 -5.058 9.199 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.581 -5.787 6.393 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.220 -4.079 6.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.588 -4.459 6.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.240 -3.798 7.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.589 -5.453 7.707 1.00 0.00 H new ATOM 262 N GLY A 21 5.895 -8.816 9.991 1.00 0.00 N ATOM 263 CA GLY A 21 4.832 -9.301 10.855 1.00 0.00 C ATOM 264 C GLY A 21 5.243 -9.221 12.327 1.00 0.00 C ATOM 265 O GLY A 21 6.316 -8.712 12.649 1.00 0.00 O ATOM 0 H GLY A 21 6.693 -9.445 9.903 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.929 -8.712 10.693 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.590 -10.332 10.597 1.00 0.00 H new ATOM 269 N LEU A 22 4.368 -9.730 13.181 1.00 0.00 N ATOM 270 CA LEU A 22 4.626 -9.722 14.611 1.00 0.00 C ATOM 271 C LEU A 22 5.701 -10.761 14.937 1.00 0.00 C ATOM 272 O LEU A 22 6.385 -11.253 14.041 1.00 0.00 O ATOM 273 CB LEU A 22 3.325 -9.918 15.392 1.00 0.00 C ATOM 274 CG LEU A 22 2.310 -8.776 15.300 1.00 0.00 C ATOM 275 CD1 LEU A 22 2.941 -7.446 15.718 1.00 0.00 C ATOM 276 CD2 LEU A 22 1.691 -8.703 13.903 1.00 0.00 C ATOM 0 H LEU A 22 3.479 -10.151 12.910 1.00 0.00 H new ATOM 0 HA LEU A 22 5.014 -8.752 14.922 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.847 -10.832 15.040 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.574 -10.073 16.442 1.00 0.00 H new ATOM 0 HG LEU A 22 1.500 -8.982 16.000 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.198 -6.652 15.643 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.293 -7.518 16.747 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.781 -7.220 15.062 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.974 -7.883 13.865 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.476 -8.533 13.166 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.182 -9.641 13.681 1.00 0.00 H new ATOM 288 N GLU A 23 5.815 -11.064 16.222 1.00 0.00 N ATOM 289 CA GLU A 23 6.795 -12.036 16.677 1.00 0.00 C ATOM 290 C GLU A 23 6.206 -13.447 16.625 1.00 0.00 C ATOM 291 O GLU A 23 6.886 -14.393 16.228 1.00 0.00 O ATOM 292 CB GLU A 23 7.288 -11.699 18.085 1.00 0.00 C ATOM 293 CG GLU A 23 6.159 -11.115 18.936 1.00 0.00 C ATOM 294 CD GLU A 23 6.423 -11.340 20.427 1.00 0.00 C ATOM 295 OE1 GLU A 23 6.182 -12.480 20.880 1.00 0.00 O ATOM 296 OE2 GLU A 23 6.859 -10.367 21.079 1.00 0.00 O ATOM 0 H GLU A 23 5.245 -10.654 16.962 1.00 0.00 H new ATOM 0 HA GLU A 23 7.655 -11.997 16.008 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.680 -12.597 18.562 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.110 -10.985 18.025 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.064 -10.048 18.737 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.212 -11.577 18.657 1.00 0.00 H new ATOM 303 N ASP A 24 4.949 -13.545 17.031 1.00 0.00 N ATOM 304 CA ASP A 24 4.261 -14.825 17.036 1.00 0.00 C ATOM 305 C ASP A 24 2.921 -14.682 16.312 1.00 0.00 C ATOM 306 O ASP A 24 1.868 -14.942 16.890 1.00 0.00 O ATOM 307 CB ASP A 24 3.979 -15.293 18.465 1.00 0.00 C ATOM 308 CG ASP A 24 3.949 -16.811 18.655 1.00 0.00 C ATOM 309 OD1 ASP A 24 4.216 -17.513 17.655 1.00 0.00 O ATOM 310 OD2 ASP A 24 3.659 -17.235 19.794 1.00 0.00 O ATOM 0 H ASP A 24 4.388 -12.758 17.359 1.00 0.00 H new ATOM 0 HA ASP A 24 4.901 -15.553 16.538 1.00 0.00 H new ATOM 0 HB2 ASP A 24 4.739 -14.874 19.125 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.020 -14.883 18.783 1.00 0.00 H new ATOM 315 N ALA A 25 3.005 -14.269 15.056 1.00 0.00 N ATOM 316 CA ALA A 25 1.813 -14.088 14.246 1.00 0.00 C ATOM 317 C ALA A 25 2.026 -14.741 12.879 1.00 0.00 C ATOM 318 O ALA A 25 2.843 -14.276 12.086 1.00 0.00 O ATOM 319 CB ALA A 25 1.491 -12.596 14.136 1.00 0.00 C ATOM 0 H ALA A 25 3.881 -14.054 14.579 1.00 0.00 H new ATOM 0 HA ALA A 25 0.955 -14.573 14.713 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.596 -12.461 13.528 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.319 -12.187 15.131 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.328 -12.076 13.670 1.00 0.00 H new ATOM 325 N ASP A 26 1.276 -15.807 12.645 1.00 0.00 N ATOM 326 CA ASP A 26 1.373 -16.529 11.387 1.00 0.00 C ATOM 327 C ASP A 26 0.902 -15.623 10.247 1.00 0.00 C ATOM 328 O ASP A 26 -0.262 -15.668 9.854 1.00 0.00 O ATOM 329 CB ASP A 26 0.485 -17.775 11.397 1.00 0.00 C ATOM 330 CG ASP A 26 0.751 -18.748 12.547 1.00 0.00 C ATOM 331 OD1 ASP A 26 0.173 -18.517 13.631 1.00 0.00 O ATOM 332 OD2 ASP A 26 1.526 -19.702 12.316 1.00 0.00 O ATOM 0 H ASP A 26 0.598 -16.189 13.305 1.00 0.00 H new ATOM 0 HA ASP A 26 2.412 -16.828 11.249 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -0.557 -17.460 11.441 1.00 0.00 H new ATOM 0 HB3 ASP A 26 0.618 -18.305 10.454 1.00 0.00 H new ATOM 337 N PHE A 27 1.832 -14.821 9.749 1.00 0.00 N ATOM 338 CA PHE A 27 1.527 -13.906 8.662 1.00 0.00 C ATOM 339 C PHE A 27 2.765 -13.647 7.800 1.00 0.00 C ATOM 340 O PHE A 27 3.814 -13.263 8.314 1.00 0.00 O ATOM 341 CB PHE A 27 1.079 -12.589 9.298 1.00 0.00 C ATOM 342 CG PHE A 27 0.750 -11.490 8.287 1.00 0.00 C ATOM 343 CD1 PHE A 27 -0.065 -11.758 7.232 1.00 0.00 C ATOM 344 CD2 PHE A 27 1.272 -10.244 8.443 1.00 0.00 C ATOM 345 CE1 PHE A 27 -0.371 -10.737 6.293 1.00 0.00 C ATOM 346 CE2 PHE A 27 0.967 -9.223 7.504 1.00 0.00 C ATOM 347 CZ PHE A 27 0.152 -9.491 6.449 1.00 0.00 C ATOM 0 H PHE A 27 2.797 -14.786 10.078 1.00 0.00 H new ATOM 0 HA PHE A 27 0.754 -14.333 8.023 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.200 -12.776 9.915 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.865 -12.233 9.963 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.480 -12.747 7.108 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.919 -10.031 9.281 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -1.019 -10.950 5.455 1.00 0.00 H new ATOM 0 HE2 PHE A 27 1.382 -8.234 7.628 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.080 -8.715 5.735 1.00 0.00 H new ATOM 357 N LEU A 28 2.600 -13.868 6.504 1.00 0.00 N ATOM 358 CA LEU A 28 3.691 -13.663 5.566 1.00 0.00 C ATOM 359 C LEU A 28 4.781 -14.706 5.822 1.00 0.00 C ATOM 360 O LEU A 28 5.929 -14.520 5.421 1.00 0.00 O ATOM 361 CB LEU A 28 4.193 -12.219 5.634 1.00 0.00 C ATOM 362 CG LEU A 28 3.436 -11.204 4.775 1.00 0.00 C ATOM 363 CD1 LEU A 28 1.944 -11.539 4.718 1.00 0.00 C ATOM 364 CD2 LEU A 28 3.685 -9.777 5.266 1.00 0.00 C ATOM 0 H LEU A 28 1.728 -14.187 6.082 1.00 0.00 H new ATOM 0 HA LEU A 28 3.345 -13.807 4.542 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.151 -11.889 6.672 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.242 -12.206 5.337 1.00 0.00 H new ATOM 0 HG LEU A 28 3.819 -11.265 3.756 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.429 -10.802 4.101 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.810 -12.531 4.286 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.529 -11.523 5.726 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.136 -9.075 4.638 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.346 -9.683 6.298 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.751 -9.554 5.212 1.00 0.00 H new ATOM 376 N ASN A 29 4.383 -15.780 6.488 1.00 0.00 N ATOM 377 CA ASN A 29 5.312 -16.852 6.802 1.00 0.00 C ATOM 378 C ASN A 29 5.888 -17.419 5.503 1.00 0.00 C ATOM 379 O ASN A 29 6.083 -16.686 4.535 1.00 0.00 O ATOM 380 CB ASN A 29 4.608 -17.990 7.544 1.00 0.00 C ATOM 381 CG ASN A 29 5.566 -18.689 8.512 1.00 0.00 C ATOM 382 OD1 ASN A 29 6.624 -19.168 8.141 1.00 0.00 O ATOM 383 ND2 ASN A 29 5.136 -18.718 9.770 1.00 0.00 N ATOM 0 H ASN A 29 3.430 -15.931 6.819 1.00 0.00 H new ATOM 0 HA ASN A 29 6.100 -16.442 7.434 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.753 -17.596 8.094 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.220 -18.712 6.826 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.703 -19.161 10.493 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.239 -18.297 10.012 1.00 0.00 H new ATOM 390 N ASN A 30 6.145 -18.719 5.525 1.00 0.00 N ATOM 391 CA ASN A 30 6.695 -19.392 4.361 1.00 0.00 C ATOM 392 C ASN A 30 5.717 -19.261 3.192 1.00 0.00 C ATOM 393 O ASN A 30 4.940 -20.176 2.922 1.00 0.00 O ATOM 394 CB ASN A 30 6.906 -20.882 4.636 1.00 0.00 C ATOM 395 CG ASN A 30 8.271 -21.134 5.279 1.00 0.00 C ATOM 396 OD1 ASN A 30 9.295 -20.642 4.836 1.00 0.00 O ATOM 397 ND2 ASN A 30 8.228 -21.924 6.348 1.00 0.00 N ATOM 0 H ASN A 30 5.982 -19.323 6.330 1.00 0.00 H new ATOM 0 HA ASN A 30 7.653 -18.929 4.125 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.117 -21.249 5.293 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.831 -21.442 3.704 1.00 0.00 H new ATOM 0 HD21 ASN A 30 9.087 -22.151 6.849 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.336 -22.303 6.666 1.00 0.00 H new ATOM 404 N MET A 31 5.787 -18.116 2.529 1.00 0.00 N ATOM 405 CA MET A 31 4.917 -17.853 1.395 1.00 0.00 C ATOM 406 C MET A 31 5.453 -16.695 0.550 1.00 0.00 C ATOM 407 O MET A 31 6.473 -16.096 0.887 1.00 0.00 O ATOM 408 CB MET A 31 3.513 -17.512 1.897 1.00 0.00 C ATOM 409 CG MET A 31 3.568 -16.851 3.276 1.00 0.00 C ATOM 410 SD MET A 31 1.915 -16.583 3.891 1.00 0.00 S ATOM 411 CE MET A 31 1.345 -15.358 2.725 1.00 0.00 C ATOM 0 H MET A 31 6.433 -17.360 2.755 1.00 0.00 H new ATOM 0 HA MET A 31 4.882 -18.747 0.772 1.00 0.00 H new ATOM 0 HB2 MET A 31 3.022 -16.844 1.189 1.00 0.00 H new ATOM 0 HB3 MET A 31 2.911 -18.419 1.949 1.00 0.00 H new ATOM 0 HG2 MET A 31 4.125 -17.482 3.969 1.00 0.00 H new ATOM 0 HG3 MET A 31 4.099 -15.901 3.212 1.00 0.00 H new ATOM 0 HE1 MET A 31 1.127 -14.428 3.251 1.00 0.00 H new ATOM 0 HE2 MET A 31 2.118 -15.180 1.978 1.00 0.00 H new ATOM 0 HE3 MET A 31 0.441 -15.717 2.233 1.00 0.00 H new ATOM 421 N ASP A 32 4.741 -16.415 -0.531 1.00 0.00 N ATOM 422 CA ASP A 32 5.132 -15.339 -1.427 1.00 0.00 C ATOM 423 C ASP A 32 3.923 -14.441 -1.696 1.00 0.00 C ATOM 424 O ASP A 32 3.399 -14.415 -2.809 1.00 0.00 O ATOM 425 CB ASP A 32 5.620 -15.890 -2.768 1.00 0.00 C ATOM 426 CG ASP A 32 6.794 -16.866 -2.678 1.00 0.00 C ATOM 427 OD1 ASP A 32 7.384 -16.944 -1.579 1.00 0.00 O ATOM 428 OD2 ASP A 32 7.075 -17.513 -3.710 1.00 0.00 O ATOM 0 H ASP A 32 3.895 -16.914 -0.807 1.00 0.00 H new ATOM 0 HA ASP A 32 5.938 -14.780 -0.952 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.788 -16.391 -3.262 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.911 -15.053 -3.403 1.00 0.00 H new ATOM 433 N PRO A 33 3.505 -13.706 -0.631 1.00 0.00 N ATOM 434 CA PRO A 33 2.368 -12.808 -0.741 1.00 0.00 C ATOM 435 C PRO A 33 2.742 -11.541 -1.512 1.00 0.00 C ATOM 436 O PRO A 33 3.895 -11.112 -1.486 1.00 0.00 O ATOM 437 CB PRO A 33 1.946 -12.529 0.692 1.00 0.00 C ATOM 438 CG PRO A 33 3.139 -12.902 1.558 1.00 0.00 C ATOM 439 CD PRO A 33 4.101 -13.711 0.702 1.00 0.00 C ATOM 0 HA PRO A 33 1.544 -13.241 -1.307 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.680 -11.480 0.824 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.068 -13.116 0.962 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.629 -12.006 1.940 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.817 -13.482 2.423 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.095 -13.264 0.693 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.212 -14.726 1.083 1.00 0.00 H new ATOM 447 N TYR A 34 1.747 -10.977 -2.180 1.00 0.00 N ATOM 448 CA TYR A 34 1.958 -9.767 -2.957 1.00 0.00 C ATOM 449 C TYR A 34 0.966 -8.675 -2.550 1.00 0.00 C ATOM 450 O TYR A 34 -0.147 -8.971 -2.118 1.00 0.00 O ATOM 451 CB TYR A 34 1.703 -10.153 -4.415 1.00 0.00 C ATOM 452 CG TYR A 34 0.235 -10.440 -4.736 1.00 0.00 C ATOM 453 CD1 TYR A 34 -0.632 -9.397 -4.992 1.00 0.00 C ATOM 454 CD2 TYR A 34 -0.222 -11.742 -4.768 1.00 0.00 C ATOM 455 CE1 TYR A 34 -2.014 -9.668 -5.294 1.00 0.00 C ATOM 456 CE2 TYR A 34 -1.604 -12.012 -5.070 1.00 0.00 C ATOM 457 CZ TYR A 34 -2.432 -10.962 -5.318 1.00 0.00 C ATOM 458 OH TYR A 34 -3.737 -11.217 -5.603 1.00 0.00 O ATOM 0 H TYR A 34 0.792 -11.335 -2.200 1.00 0.00 H new ATOM 0 HA TYR A 34 2.964 -9.378 -2.797 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.054 -9.348 -5.060 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.296 -11.035 -4.655 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.274 -8.378 -4.966 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.456 -12.558 -4.567 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -2.703 -8.862 -5.497 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.975 -13.026 -5.099 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.893 -12.184 -5.586 1.00 0.00 H new ATOM 468 N VAL A 35 1.406 -7.434 -2.703 1.00 0.00 N ATOM 469 CA VAL A 35 0.572 -6.296 -2.357 1.00 0.00 C ATOM 470 C VAL A 35 -0.234 -5.869 -3.585 1.00 0.00 C ATOM 471 O VAL A 35 0.242 -5.979 -4.714 1.00 0.00 O ATOM 472 CB VAL A 35 1.435 -5.169 -1.786 1.00 0.00 C ATOM 473 CG1 VAL A 35 0.574 -3.969 -1.386 1.00 0.00 C ATOM 474 CG2 VAL A 35 2.269 -5.663 -0.603 1.00 0.00 C ATOM 0 H VAL A 35 2.330 -7.192 -3.062 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.141 -6.567 -1.578 1.00 0.00 H new ATOM 0 HB VAL A 35 2.122 -4.844 -2.568 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.211 -3.182 -0.983 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.044 -3.594 -2.261 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.147 -4.275 -0.628 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.873 -4.842 -0.216 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.607 -6.028 0.182 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.922 -6.471 -0.931 1.00 0.00 H new ATOM 484 N GLN A 36 -1.441 -5.389 -3.323 1.00 0.00 N ATOM 485 CA GLN A 36 -2.318 -4.944 -4.393 1.00 0.00 C ATOM 486 C GLN A 36 -2.722 -3.484 -4.175 1.00 0.00 C ATOM 487 O GLN A 36 -3.667 -3.201 -3.440 1.00 0.00 O ATOM 488 CB GLN A 36 -3.550 -5.844 -4.502 1.00 0.00 C ATOM 489 CG GLN A 36 -4.679 -5.139 -5.257 1.00 0.00 C ATOM 490 CD GLN A 36 -5.915 -6.035 -5.356 1.00 0.00 C ATOM 491 OE1 GLN A 36 -6.012 -7.076 -4.727 1.00 0.00 O ATOM 492 NE2 GLN A 36 -6.852 -5.574 -6.180 1.00 0.00 N ATOM 0 H GLN A 36 -1.832 -5.299 -2.385 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.774 -5.013 -5.335 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -3.285 -6.768 -5.016 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -3.892 -6.121 -3.505 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.938 -4.211 -4.747 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -4.340 -4.869 -6.257 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.707 -4.695 -6.676 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.715 -6.100 -6.316 1.00 0.00 H new ATOM 501 N LEU A 37 -1.988 -2.596 -4.829 1.00 0.00 N ATOM 502 CA LEU A 37 -2.258 -1.173 -4.716 1.00 0.00 C ATOM 503 C LEU A 37 -3.564 -0.847 -5.444 1.00 0.00 C ATOM 504 O LEU A 37 -3.759 -1.255 -6.588 1.00 0.00 O ATOM 505 CB LEU A 37 -1.060 -0.359 -5.209 1.00 0.00 C ATOM 506 CG LEU A 37 0.053 -0.119 -4.187 1.00 0.00 C ATOM 507 CD1 LEU A 37 -0.110 -1.036 -2.973 1.00 0.00 C ATOM 508 CD2 LEU A 37 1.432 -0.264 -4.834 1.00 0.00 C ATOM 0 H LEU A 37 -1.206 -2.835 -5.439 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.396 -0.893 -3.672 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.630 -0.868 -6.072 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.422 0.609 -5.557 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.028 0.907 -3.828 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.694 -0.845 -2.262 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.070 -0.841 -2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.070 -2.077 -3.295 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.205 -0.088 -4.086 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.540 -1.270 -5.238 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.534 0.463 -5.639 1.00 0.00 H new ATOM 520 N THR A 38 -4.424 -0.116 -4.751 1.00 0.00 N ATOM 521 CA THR A 38 -5.706 0.269 -5.317 1.00 0.00 C ATOM 522 C THR A 38 -5.978 1.753 -5.061 1.00 0.00 C ATOM 523 O THR A 38 -5.768 2.244 -3.953 1.00 0.00 O ATOM 524 CB THR A 38 -6.777 -0.654 -4.734 1.00 0.00 C ATOM 525 OG1 THR A 38 -6.174 -1.945 -4.758 1.00 0.00 O ATOM 526 CG2 THR A 38 -7.993 -0.794 -5.652 1.00 0.00 C ATOM 0 H THR A 38 -4.258 0.220 -3.802 1.00 0.00 H new ATOM 0 HA THR A 38 -5.711 0.152 -6.401 1.00 0.00 H new ATOM 0 HB THR A 38 -7.096 -0.271 -3.765 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.800 -2.605 -4.395 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.722 -1.460 -5.191 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.444 0.185 -5.810 1.00 0.00 H new ATOM 0 HG23 THR A 38 -7.680 -1.208 -6.610 1.00 0.00 H new ATOM 534 N CYS A 39 -6.440 2.425 -6.105 1.00 0.00 N ATOM 535 CA CYS A 39 -6.743 3.843 -6.007 1.00 0.00 C ATOM 536 C CYS A 39 -7.997 4.125 -6.837 1.00 0.00 C ATOM 537 O CYS A 39 -7.947 4.116 -8.066 1.00 0.00 O ATOM 538 CB CYS A 39 -5.560 4.706 -6.450 1.00 0.00 C ATOM 539 SG CYS A 39 -4.842 5.572 -5.006 1.00 0.00 S ATOM 0 H CYS A 39 -6.612 2.014 -7.023 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.931 4.106 -4.966 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.802 4.083 -6.925 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.887 5.432 -7.194 1.00 0.00 H new ATOM 0 HG CYS A 39 -3.837 6.300 -5.392 1.00 0.00 H new ATOM 545 N ARG A 40 -9.092 4.369 -6.132 1.00 0.00 N ATOM 546 CA ARG A 40 -10.357 4.653 -6.789 1.00 0.00 C ATOM 547 C ARG A 40 -10.903 3.390 -7.457 1.00 0.00 C ATOM 548 O ARG A 40 -11.729 2.685 -6.879 1.00 0.00 O ATOM 549 CB ARG A 40 -10.196 5.751 -7.842 1.00 0.00 C ATOM 550 CG ARG A 40 -10.916 7.031 -7.414 1.00 0.00 C ATOM 551 CD ARG A 40 -10.083 8.269 -7.755 1.00 0.00 C ATOM 552 NE ARG A 40 -10.844 9.158 -8.659 1.00 0.00 N ATOM 553 CZ ARG A 40 -11.971 9.795 -8.313 1.00 0.00 C ATOM 554 NH1 ARG A 40 -12.475 9.644 -7.081 1.00 0.00 N ATOM 555 NH2 ARG A 40 -12.595 10.583 -9.200 1.00 0.00 N ATOM 0 H ARG A 40 -9.130 4.376 -5.113 1.00 0.00 H new ATOM 0 HA ARG A 40 -11.057 4.996 -6.027 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.137 5.959 -7.996 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.595 5.406 -8.796 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.884 7.091 -7.911 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.109 7.002 -6.342 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.821 8.804 -6.842 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.148 7.969 -8.229 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.489 9.295 -9.605 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.001 9.044 -6.406 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -13.333 10.129 -6.818 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.212 10.698 -10.138 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.453 11.068 -8.937 1.00 0.00 H new ATOM 569 N THR A 41 -10.420 3.143 -8.666 1.00 0.00 N ATOM 570 CA THR A 41 -10.850 1.977 -9.419 1.00 0.00 C ATOM 571 C THR A 41 -9.670 1.368 -10.179 1.00 0.00 C ATOM 572 O THR A 41 -9.860 0.531 -11.060 1.00 0.00 O ATOM 573 CB THR A 41 -12.005 2.401 -10.329 1.00 0.00 C ATOM 574 OG1 THR A 41 -12.124 1.329 -11.261 1.00 0.00 O ATOM 575 CG2 THR A 41 -11.652 3.611 -11.197 1.00 0.00 C ATOM 0 H THR A 41 -9.735 3.730 -9.142 1.00 0.00 H new ATOM 0 HA THR A 41 -11.211 1.190 -8.757 1.00 0.00 H new ATOM 0 HB THR A 41 -12.880 2.632 -9.721 1.00 0.00 H new ATOM 0 HG1 THR A 41 -11.564 0.579 -10.971 1.00 0.00 H new ATOM 0 HG21 THR A 41 -12.505 3.871 -11.824 1.00 0.00 H new ATOM 0 HG22 THR A 41 -11.401 4.457 -10.557 1.00 0.00 H new ATOM 0 HG23 THR A 41 -10.798 3.368 -11.829 1.00 0.00 H new ATOM 583 N GLN A 42 -8.477 1.811 -9.809 1.00 0.00 N ATOM 584 CA GLN A 42 -7.266 1.320 -10.444 1.00 0.00 C ATOM 585 C GLN A 42 -6.496 0.409 -9.486 1.00 0.00 C ATOM 586 O GLN A 42 -6.048 0.851 -8.429 1.00 0.00 O ATOM 587 CB GLN A 42 -6.390 2.479 -10.923 1.00 0.00 C ATOM 588 CG GLN A 42 -5.746 3.204 -9.740 1.00 0.00 C ATOM 589 CD GLN A 42 -5.724 4.717 -9.969 1.00 0.00 C ATOM 590 OE1 GLN A 42 -6.437 5.477 -9.337 1.00 0.00 O ATOM 591 NE2 GLN A 42 -4.866 5.109 -10.908 1.00 0.00 N ATOM 0 H GLN A 42 -8.324 2.505 -9.077 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.549 0.736 -11.320 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.614 2.102 -11.589 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.992 3.181 -11.500 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.298 2.979 -8.827 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.729 2.840 -9.596 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.298 4.419 -11.400 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.776 6.099 -11.136 1.00 0.00 H new ATOM 600 N ASP A 43 -6.366 -0.846 -9.890 1.00 0.00 N ATOM 601 CA ASP A 43 -5.657 -1.823 -9.081 1.00 0.00 C ATOM 602 C ASP A 43 -4.271 -2.066 -9.680 1.00 0.00 C ATOM 603 O ASP A 43 -4.079 -1.926 -10.887 1.00 0.00 O ATOM 604 CB ASP A 43 -6.402 -3.159 -9.054 1.00 0.00 C ATOM 605 CG ASP A 43 -6.889 -3.656 -10.417 1.00 0.00 C ATOM 606 OD1 ASP A 43 -7.910 -3.110 -10.888 1.00 0.00 O ATOM 607 OD2 ASP A 43 -6.229 -4.570 -10.957 1.00 0.00 O ATOM 0 H ASP A 43 -6.740 -1.209 -10.767 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.582 -1.431 -8.067 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.746 -3.915 -8.622 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.261 -3.065 -8.390 1.00 0.00 H new ATOM 612 N GLN A 44 -3.340 -2.426 -8.809 1.00 0.00 N ATOM 613 CA GLN A 44 -1.976 -2.690 -9.237 1.00 0.00 C ATOM 614 C GLN A 44 -1.260 -3.573 -8.213 1.00 0.00 C ATOM 615 O GLN A 44 -1.169 -3.219 -7.039 1.00 0.00 O ATOM 616 CB GLN A 44 -1.211 -1.385 -9.466 1.00 0.00 C ATOM 617 CG GLN A 44 -1.776 -0.621 -10.666 1.00 0.00 C ATOM 618 CD GLN A 44 -0.856 0.535 -11.063 1.00 0.00 C ATOM 619 OE1 GLN A 44 0.346 0.383 -11.209 1.00 0.00 O ATOM 620 NE2 GLN A 44 -1.485 1.695 -11.228 1.00 0.00 N ATOM 0 H GLN A 44 -3.503 -2.541 -7.809 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.011 -3.224 -10.187 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -1.271 -0.763 -8.573 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.156 -1.602 -9.633 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.897 -1.300 -11.510 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.766 -0.235 -10.423 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.494 1.752 -11.090 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.958 2.527 -11.493 1.00 0.00 H new ATOM 629 N LYS A 45 -0.769 -4.705 -8.696 1.00 0.00 N ATOM 630 CA LYS A 45 -0.064 -5.641 -7.838 1.00 0.00 C ATOM 631 C LYS A 45 1.438 -5.546 -8.112 1.00 0.00 C ATOM 632 O LYS A 45 1.851 -5.049 -9.159 1.00 0.00 O ATOM 633 CB LYS A 45 -0.631 -7.053 -8.004 1.00 0.00 C ATOM 634 CG LYS A 45 -2.021 -7.163 -7.373 1.00 0.00 C ATOM 635 CD LYS A 45 -2.770 -8.386 -7.906 1.00 0.00 C ATOM 636 CE LYS A 45 -3.202 -8.175 -9.358 1.00 0.00 C ATOM 637 NZ LYS A 45 -3.295 -9.472 -10.065 1.00 0.00 N ATOM 0 H LYS A 45 -0.846 -4.995 -9.671 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.214 -5.383 -6.790 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.688 -7.304 -9.063 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.041 -7.775 -7.541 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.928 -7.233 -6.289 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.593 -6.260 -7.586 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.131 -9.266 -7.837 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.646 -8.579 -7.287 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.167 -7.669 -9.387 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.487 -7.528 -9.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.589 -9.311 -11.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.367 -9.941 -10.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.994 -10.077 -9.589 1.00 0.00 H new ATOM 651 N SER A 46 2.214 -6.031 -7.154 1.00 0.00 N ATOM 652 CA SER A 46 3.662 -6.007 -7.280 1.00 0.00 C ATOM 653 C SER A 46 4.197 -7.432 -7.432 1.00 0.00 C ATOM 654 O SER A 46 3.457 -8.399 -7.261 1.00 0.00 O ATOM 655 CB SER A 46 4.308 -5.323 -6.073 1.00 0.00 C ATOM 656 OG SER A 46 5.502 -4.631 -6.428 1.00 0.00 O ATOM 0 H SER A 46 1.868 -6.443 -6.287 1.00 0.00 H new ATOM 0 HA SER A 46 3.919 -5.432 -8.170 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.600 -4.622 -5.632 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.534 -6.069 -5.311 1.00 0.00 H new ATOM 0 HG SER A 46 5.299 -3.684 -6.575 1.00 0.00 H new ATOM 662 N ASN A 47 5.481 -7.517 -7.751 1.00 0.00 N ATOM 663 CA ASN A 47 6.124 -8.807 -7.928 1.00 0.00 C ATOM 664 C ASN A 47 5.783 -9.710 -6.740 1.00 0.00 C ATOM 665 O ASN A 47 5.453 -9.222 -5.660 1.00 0.00 O ATOM 666 CB ASN A 47 7.646 -8.661 -7.988 1.00 0.00 C ATOM 667 CG ASN A 47 8.064 -7.750 -9.144 1.00 0.00 C ATOM 668 OD1 ASN A 47 8.241 -6.553 -8.993 1.00 0.00 O ATOM 669 ND2 ASN A 47 8.211 -8.384 -10.305 1.00 0.00 N ATOM 0 H ASN A 47 6.093 -6.713 -7.891 1.00 0.00 H new ATOM 0 HA ASN A 47 5.765 -9.236 -8.864 1.00 0.00 H new ATOM 0 HB2 ASN A 47 8.013 -8.252 -7.047 1.00 0.00 H new ATOM 0 HB3 ASN A 47 8.105 -9.642 -8.109 1.00 0.00 H new ATOM 0 HD21 ASN A 47 8.488 -7.865 -11.138 1.00 0.00 H new ATOM 0 HD22 ASN A 47 8.047 -9.389 -10.362 1.00 0.00 H new ATOM 676 N VAL A 48 5.873 -11.010 -6.981 1.00 0.00 N ATOM 677 CA VAL A 48 5.578 -11.985 -5.945 1.00 0.00 C ATOM 678 C VAL A 48 6.804 -12.155 -5.046 1.00 0.00 C ATOM 679 O VAL A 48 7.888 -12.485 -5.525 1.00 0.00 O ATOM 680 CB VAL A 48 5.114 -13.298 -6.579 1.00 0.00 C ATOM 681 CG1 VAL A 48 5.315 -14.471 -5.618 1.00 0.00 C ATOM 682 CG2 VAL A 48 3.656 -13.203 -7.032 1.00 0.00 C ATOM 0 H VAL A 48 6.146 -11.410 -7.878 1.00 0.00 H new ATOM 0 HA VAL A 48 4.759 -11.637 -5.315 1.00 0.00 H new ATOM 0 HB VAL A 48 5.727 -13.479 -7.462 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.977 -15.392 -6.093 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.372 -14.559 -5.367 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.739 -14.299 -4.709 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.351 -14.149 -7.479 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.021 -12.987 -6.173 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.555 -12.405 -7.768 1.00 0.00 H new ATOM 692 N ALA A 49 6.592 -11.922 -3.759 1.00 0.00 N ATOM 693 CA ALA A 49 7.667 -12.045 -2.789 1.00 0.00 C ATOM 694 C ALA A 49 8.160 -13.493 -2.763 1.00 0.00 C ATOM 695 O ALA A 49 7.776 -14.267 -1.888 1.00 0.00 O ATOM 696 CB ALA A 49 7.176 -11.571 -1.420 1.00 0.00 C ATOM 0 H ALA A 49 5.692 -11.649 -3.365 1.00 0.00 H new ATOM 0 HA ALA A 49 8.511 -11.414 -3.068 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.982 -11.663 -0.692 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.864 -10.529 -1.486 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.331 -12.183 -1.105 1.00 0.00 H new ATOM 702 N GLU A 50 9.005 -13.814 -3.731 1.00 0.00 N ATOM 703 CA GLU A 50 9.555 -15.156 -3.830 1.00 0.00 C ATOM 704 C GLU A 50 10.618 -15.374 -2.751 1.00 0.00 C ATOM 705 O GLU A 50 11.529 -14.561 -2.599 1.00 0.00 O ATOM 706 CB GLU A 50 10.129 -15.412 -5.225 1.00 0.00 C ATOM 707 CG GLU A 50 9.012 -15.520 -6.265 1.00 0.00 C ATOM 708 CD GLU A 50 9.555 -15.291 -7.678 1.00 0.00 C ATOM 709 OE1 GLU A 50 10.242 -16.208 -8.177 1.00 0.00 O ATOM 710 OE2 GLU A 50 9.270 -14.205 -8.226 1.00 0.00 O ATOM 0 H GLU A 50 9.323 -13.168 -4.454 1.00 0.00 H new ATOM 0 HA GLU A 50 8.749 -15.871 -3.668 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.807 -14.603 -5.497 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.715 -16.331 -5.218 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.548 -16.504 -6.205 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.235 -14.787 -6.047 1.00 0.00 H new ATOM 717 N GLY A 51 10.467 -16.475 -2.031 1.00 0.00 N ATOM 718 CA GLY A 51 11.402 -16.811 -0.971 1.00 0.00 C ATOM 719 C GLY A 51 11.894 -15.551 -0.254 1.00 0.00 C ATOM 720 O GLY A 51 13.041 -15.143 -0.426 1.00 0.00 O ATOM 0 H GLY A 51 9.710 -17.147 -2.161 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.921 -17.477 -0.255 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.252 -17.352 -1.388 1.00 0.00 H new ATOM 724 N MET A 52 11.001 -14.970 0.533 1.00 0.00 N ATOM 725 CA MET A 52 11.329 -13.766 1.276 1.00 0.00 C ATOM 726 C MET A 52 11.259 -14.015 2.784 1.00 0.00 C ATOM 727 O MET A 52 11.995 -13.400 3.554 1.00 0.00 O ATOM 728 CB MET A 52 10.353 -12.650 0.897 1.00 0.00 C ATOM 729 CG MET A 52 10.546 -12.224 -0.560 1.00 0.00 C ATOM 730 SD MET A 52 12.170 -11.516 -0.779 1.00 0.00 S ATOM 731 CE MET A 52 11.818 -10.325 -2.061 1.00 0.00 C ATOM 0 H MET A 52 10.050 -15.311 0.672 1.00 0.00 H new ATOM 0 HA MET A 52 12.348 -13.472 1.022 1.00 0.00 H new ATOM 0 HB2 MET A 52 9.329 -12.991 1.047 1.00 0.00 H new ATOM 0 HB3 MET A 52 10.503 -11.793 1.553 1.00 0.00 H new ATOM 0 HG2 MET A 52 10.423 -13.084 -1.218 1.00 0.00 H new ATOM 0 HG3 MET A 52 9.783 -11.498 -0.839 1.00 0.00 H new ATOM 0 HE1 MET A 52 12.658 -9.638 -2.160 1.00 0.00 H new ATOM 0 HE2 MET A 52 11.661 -10.844 -3.007 1.00 0.00 H new ATOM 0 HE3 MET A 52 10.920 -9.765 -1.801 1.00 0.00 H new ATOM 741 N GLY A 53 10.367 -14.919 3.161 1.00 0.00 N ATOM 742 CA GLY A 53 10.191 -15.258 4.563 1.00 0.00 C ATOM 743 C GLY A 53 9.062 -14.436 5.188 1.00 0.00 C ATOM 744 O GLY A 53 8.080 -14.114 4.521 1.00 0.00 O ATOM 0 H GLY A 53 9.758 -15.427 2.520 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.968 -16.321 4.659 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.120 -15.077 5.104 1.00 0.00 H new ATOM 748 N THR A 54 9.239 -14.119 6.463 1.00 0.00 N ATOM 749 CA THR A 54 8.248 -13.341 7.185 1.00 0.00 C ATOM 750 C THR A 54 8.468 -11.846 6.949 1.00 0.00 C ATOM 751 O THR A 54 7.925 -11.012 7.673 1.00 0.00 O ATOM 752 CB THR A 54 8.318 -13.739 8.661 1.00 0.00 C ATOM 753 OG1 THR A 54 9.685 -14.086 8.862 1.00 0.00 O ATOM 754 CG2 THR A 54 7.558 -15.034 8.955 1.00 0.00 C ATOM 0 H THR A 54 10.054 -14.387 7.014 1.00 0.00 H new ATOM 0 HA THR A 54 7.241 -13.551 6.824 1.00 0.00 H new ATOM 0 HB THR A 54 7.913 -12.934 9.274 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.820 -14.355 9.794 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.640 -15.271 10.016 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.508 -14.908 8.691 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.984 -15.847 8.368 1.00 0.00 H new ATOM 762 N THR A 55 9.264 -11.551 5.932 1.00 0.00 N ATOM 763 CA THR A 55 9.563 -10.170 5.591 1.00 0.00 C ATOM 764 C THR A 55 9.677 -10.009 4.074 1.00 0.00 C ATOM 765 O THR A 55 10.781 -9.948 3.534 1.00 0.00 O ATOM 766 CB THR A 55 10.830 -9.761 6.343 1.00 0.00 C ATOM 767 OG1 THR A 55 11.669 -10.910 6.262 1.00 0.00 O ATOM 768 CG2 THR A 55 10.589 -9.580 7.843 1.00 0.00 C ATOM 0 H THR A 55 9.711 -12.245 5.333 1.00 0.00 H new ATOM 0 HA THR A 55 8.757 -9.503 5.897 1.00 0.00 H new ATOM 0 HB THR A 55 11.216 -8.832 5.923 1.00 0.00 H new ATOM 0 HG1 THR A 55 11.776 -11.171 5.324 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.521 -9.290 8.329 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.841 -8.803 8.000 1.00 0.00 H new ATOM 0 HG23 THR A 55 10.234 -10.518 8.270 1.00 0.00 H new ATOM 776 N PRO A 56 8.491 -9.942 3.411 1.00 0.00 N ATOM 777 CA PRO A 56 8.448 -9.789 1.967 1.00 0.00 C ATOM 778 C PRO A 56 8.796 -8.357 1.557 1.00 0.00 C ATOM 779 O PRO A 56 8.398 -7.402 2.223 1.00 0.00 O ATOM 780 CB PRO A 56 7.037 -10.194 1.571 1.00 0.00 C ATOM 781 CG PRO A 56 6.207 -10.112 2.842 1.00 0.00 C ATOM 782 CD PRO A 56 7.165 -10.011 4.018 1.00 0.00 C ATOM 0 HA PRO A 56 9.185 -10.409 1.456 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.641 -9.530 0.803 1.00 0.00 H new ATOM 0 HB3 PRO A 56 7.021 -11.203 1.159 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.547 -9.245 2.812 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.572 -10.993 2.941 1.00 0.00 H new ATOM 0 HD2 PRO A 56 6.959 -9.127 4.622 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.076 -10.875 4.677 1.00 0.00 H new ATOM 790 N GLU A 57 9.537 -8.252 0.463 1.00 0.00 N ATOM 791 CA GLU A 57 9.943 -6.952 -0.043 1.00 0.00 C ATOM 792 C GLU A 57 9.427 -6.754 -1.470 1.00 0.00 C ATOM 793 O GLU A 57 8.889 -7.680 -2.074 1.00 0.00 O ATOM 794 CB GLU A 57 11.464 -6.792 0.017 1.00 0.00 C ATOM 795 CG GLU A 57 11.959 -6.796 1.465 1.00 0.00 C ATOM 796 CD GLU A 57 12.360 -8.206 1.903 1.00 0.00 C ATOM 797 OE1 GLU A 57 12.462 -9.071 1.007 1.00 0.00 O ATOM 798 OE2 GLU A 57 12.557 -8.386 3.124 1.00 0.00 O ATOM 0 H GLU A 57 9.866 -9.046 -0.086 1.00 0.00 H new ATOM 0 HA GLU A 57 9.504 -6.182 0.592 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.940 -7.601 -0.536 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.755 -5.860 -0.468 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.812 -6.124 1.563 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.176 -6.416 2.122 1.00 0.00 H new ATOM 805 N TRP A 58 9.609 -5.539 -1.967 1.00 0.00 N ATOM 806 CA TRP A 58 9.169 -5.207 -3.311 1.00 0.00 C ATOM 807 C TRP A 58 9.969 -3.992 -3.784 1.00 0.00 C ATOM 808 O TRP A 58 10.469 -3.972 -4.908 1.00 0.00 O ATOM 809 CB TRP A 58 7.656 -4.979 -3.352 1.00 0.00 C ATOM 810 CG TRP A 58 6.833 -6.191 -2.911 1.00 0.00 C ATOM 811 CD1 TRP A 58 6.410 -7.218 -3.660 1.00 0.00 C ATOM 812 CD2 TRP A 58 6.347 -6.462 -1.579 1.00 0.00 C ATOM 813 NE1 TRP A 58 5.690 -8.127 -2.913 1.00 0.00 N ATOM 814 CE2 TRP A 58 5.650 -7.653 -1.607 1.00 0.00 C ATOM 815 CE3 TRP A 58 6.491 -5.725 -0.391 1.00 0.00 C ATOM 816 CZ2 TRP A 58 5.043 -8.212 -0.476 1.00 0.00 C ATOM 817 CZ3 TRP A 58 5.878 -6.297 0.731 1.00 0.00 C ATOM 818 CH2 TRP A 58 5.174 -7.495 0.719 1.00 0.00 C ATOM 0 H TRP A 58 10.055 -4.773 -1.463 1.00 0.00 H new ATOM 0 HA TRP A 58 9.357 -6.035 -3.994 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.409 -4.132 -2.712 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.367 -4.706 -4.367 1.00 0.00 H new ATOM 0 HD1 TRP A 58 6.608 -7.321 -4.717 1.00 0.00 H new ATOM 0 HE1 TRP A 58 5.265 -8.989 -3.256 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.032 -4.791 -0.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.503 -9.146 -0.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 5.958 -5.770 1.671 1.00 0.00 H new ATOM 0 HH2 TRP A 58 4.730 -7.872 1.628 1.00 0.00 H new ATOM 829 N ASN A 59 10.065 -3.007 -2.903 1.00 0.00 N ATOM 830 CA ASN A 59 10.796 -1.791 -3.217 1.00 0.00 C ATOM 831 C ASN A 59 10.374 -1.289 -4.599 1.00 0.00 C ATOM 832 O ASN A 59 11.154 -0.639 -5.293 1.00 0.00 O ATOM 833 CB ASN A 59 12.304 -2.046 -3.247 1.00 0.00 C ATOM 834 CG ASN A 59 12.637 -3.428 -2.680 1.00 0.00 C ATOM 835 OD1 ASN A 59 12.858 -4.387 -3.402 1.00 0.00 O ATOM 836 ND2 ASN A 59 12.660 -3.477 -1.352 1.00 0.00 N ATOM 0 H ASN A 59 9.649 -3.026 -1.972 1.00 0.00 H new ATOM 0 HA ASN A 59 10.570 -1.054 -2.446 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.669 -1.972 -4.271 1.00 0.00 H new ATOM 0 HB3 ASN A 59 12.818 -1.278 -2.669 1.00 0.00 H new ATOM 0 HD21 ASN A 59 12.872 -4.355 -0.878 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.466 -2.637 -0.807 1.00 0.00 H new ATOM 843 N GLU A 60 9.140 -1.611 -4.959 1.00 0.00 N ATOM 844 CA GLU A 60 8.604 -1.201 -6.246 1.00 0.00 C ATOM 845 C GLU A 60 8.079 0.234 -6.170 1.00 0.00 C ATOM 846 O GLU A 60 8.176 0.880 -5.128 1.00 0.00 O ATOM 847 CB GLU A 60 7.510 -2.161 -6.715 1.00 0.00 C ATOM 848 CG GLU A 60 8.096 -3.281 -7.577 1.00 0.00 C ATOM 849 CD GLU A 60 8.824 -2.712 -8.797 1.00 0.00 C ATOM 850 OE1 GLU A 60 8.116 -2.206 -9.695 1.00 0.00 O ATOM 851 OE2 GLU A 60 10.071 -2.794 -8.803 1.00 0.00 O ATOM 0 H GLU A 60 8.496 -2.151 -4.382 1.00 0.00 H new ATOM 0 HA GLU A 60 9.409 -1.234 -6.980 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.003 -2.590 -5.851 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.760 -1.613 -7.285 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.787 -3.878 -6.982 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.298 -3.948 -7.904 1.00 0.00 H new ATOM 858 N THR A 61 7.534 0.691 -7.288 1.00 0.00 N ATOM 859 CA THR A 61 6.994 2.038 -7.361 1.00 0.00 C ATOM 860 C THR A 61 5.740 2.062 -8.238 1.00 0.00 C ATOM 861 O THR A 61 5.765 1.596 -9.376 1.00 0.00 O ATOM 862 CB THR A 61 8.103 2.966 -7.861 1.00 0.00 C ATOM 863 OG1 THR A 61 8.907 3.197 -6.708 1.00 0.00 O ATOM 864 CG2 THR A 61 7.580 4.354 -8.235 1.00 0.00 C ATOM 0 H THR A 61 7.455 0.152 -8.151 1.00 0.00 H new ATOM 0 HA THR A 61 6.674 2.390 -6.380 1.00 0.00 H new ATOM 0 HB THR A 61 8.590 2.517 -8.726 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.661 2.561 -6.005 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.407 4.973 -8.583 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.837 4.262 -9.027 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.123 4.818 -7.361 1.00 0.00 H new ATOM 872 N PHE A 62 4.673 2.610 -7.674 1.00 0.00 N ATOM 873 CA PHE A 62 3.412 2.701 -8.390 1.00 0.00 C ATOM 874 C PHE A 62 2.888 4.139 -8.396 1.00 0.00 C ATOM 875 O PHE A 62 2.901 4.812 -7.367 1.00 0.00 O ATOM 876 CB PHE A 62 2.413 1.809 -7.651 1.00 0.00 C ATOM 877 CG PHE A 62 2.832 0.340 -7.569 1.00 0.00 C ATOM 878 CD1 PHE A 62 2.467 -0.527 -8.550 1.00 0.00 C ATOM 879 CD2 PHE A 62 3.570 -0.098 -6.513 1.00 0.00 C ATOM 880 CE1 PHE A 62 2.857 -1.891 -8.473 1.00 0.00 C ATOM 881 CE2 PHE A 62 3.959 -1.461 -6.437 1.00 0.00 C ATOM 882 CZ PHE A 62 3.595 -2.329 -7.418 1.00 0.00 C ATOM 0 H PHE A 62 4.656 2.995 -6.730 1.00 0.00 H new ATOM 0 HA PHE A 62 3.548 2.388 -9.425 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.276 2.194 -6.640 1.00 0.00 H new ATOM 0 HB3 PHE A 62 1.446 1.873 -8.150 1.00 0.00 H new ATOM 0 HD1 PHE A 62 1.881 -0.179 -9.388 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.860 0.591 -5.733 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.567 -2.580 -9.252 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.545 -1.809 -5.599 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.892 -3.366 -7.360 1.00 0.00 H new ATOM 892 N ILE A 63 2.439 4.566 -9.567 1.00 0.00 N ATOM 893 CA ILE A 63 1.911 5.911 -9.720 1.00 0.00 C ATOM 894 C ILE A 63 0.385 5.847 -9.819 1.00 0.00 C ATOM 895 O ILE A 63 -0.165 4.903 -10.383 1.00 0.00 O ATOM 896 CB ILE A 63 2.575 6.616 -10.905 1.00 0.00 C ATOM 897 CG1 ILE A 63 4.054 6.237 -11.009 1.00 0.00 C ATOM 898 CG2 ILE A 63 2.376 8.130 -10.824 1.00 0.00 C ATOM 899 CD1 ILE A 63 4.875 6.925 -9.916 1.00 0.00 C ATOM 0 H ILE A 63 2.430 4.005 -10.419 1.00 0.00 H new ATOM 0 HA ILE A 63 2.149 6.516 -8.845 1.00 0.00 H new ATOM 0 HB ILE A 63 2.090 6.276 -11.820 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.163 5.156 -10.924 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.437 6.520 -11.989 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.858 8.606 -11.678 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.310 8.358 -10.835 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.818 8.506 -9.902 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.922 6.639 -10.013 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.784 8.006 -10.019 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.505 6.621 -8.937 1.00 0.00 H new ATOM 911 N PHE A 64 -0.255 6.865 -9.262 1.00 0.00 N ATOM 912 CA PHE A 64 -1.706 6.936 -9.281 1.00 0.00 C ATOM 913 C PHE A 64 -2.182 8.387 -9.377 1.00 0.00 C ATOM 914 O PHE A 64 -1.792 9.227 -8.568 1.00 0.00 O ATOM 915 CB PHE A 64 -2.201 6.336 -7.964 1.00 0.00 C ATOM 916 CG PHE A 64 -1.956 4.831 -7.835 1.00 0.00 C ATOM 917 CD1 PHE A 64 -2.740 3.954 -8.517 1.00 0.00 C ATOM 918 CD2 PHE A 64 -0.954 4.370 -7.040 1.00 0.00 C ATOM 919 CE1 PHE A 64 -2.513 2.557 -8.398 1.00 0.00 C ATOM 920 CE2 PHE A 64 -0.726 2.974 -6.921 1.00 0.00 C ATOM 921 CZ PHE A 64 -1.511 2.096 -7.602 1.00 0.00 C ATOM 0 H PHE A 64 0.205 7.647 -8.795 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.094 6.396 -10.145 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.708 6.846 -7.136 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.269 6.529 -7.867 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.535 4.320 -9.149 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.331 5.067 -6.499 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -3.136 1.861 -8.940 1.00 0.00 H new ATOM 0 HE2 PHE A 64 0.071 2.609 -6.290 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.339 1.034 -7.511 1.00 0.00 H new ATOM 931 N THR A 65 -3.020 8.637 -10.373 1.00 0.00 N ATOM 932 CA THR A 65 -3.553 9.972 -10.585 1.00 0.00 C ATOM 933 C THR A 65 -4.378 10.415 -9.375 1.00 0.00 C ATOM 934 O THR A 65 -5.131 9.624 -8.809 1.00 0.00 O ATOM 935 CB THR A 65 -4.349 9.961 -11.891 1.00 0.00 C ATOM 936 OG1 THR A 65 -3.365 10.175 -12.899 1.00 0.00 O ATOM 937 CG2 THR A 65 -5.282 11.167 -12.019 1.00 0.00 C ATOM 0 H THR A 65 -3.343 7.938 -11.042 1.00 0.00 H new ATOM 0 HA THR A 65 -2.753 10.707 -10.681 1.00 0.00 H new ATOM 0 HB THR A 65 -4.933 9.043 -11.952 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.795 10.181 -13.780 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.823 11.110 -12.964 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.993 11.166 -11.193 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.695 12.085 -11.992 1.00 0.00 H new ATOM 945 N VAL A 66 -4.208 11.678 -9.014 1.00 0.00 N ATOM 946 CA VAL A 66 -4.928 12.236 -7.881 1.00 0.00 C ATOM 947 C VAL A 66 -5.637 13.520 -8.315 1.00 0.00 C ATOM 948 O VAL A 66 -5.061 14.342 -9.027 1.00 0.00 O ATOM 949 CB VAL A 66 -3.970 12.449 -6.707 1.00 0.00 C ATOM 950 CG1 VAL A 66 -4.741 12.715 -5.412 1.00 0.00 C ATOM 951 CG2 VAL A 66 -3.024 11.258 -6.547 1.00 0.00 C ATOM 0 H VAL A 66 -3.582 12.331 -9.486 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.695 11.543 -7.536 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.365 13.329 -6.924 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.037 12.863 -4.593 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.353 13.609 -5.530 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.383 11.863 -5.189 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.354 11.436 -5.706 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.605 10.354 -6.364 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.438 11.134 -7.458 1.00 0.00 H new ATOM 961 N SER A 67 -6.877 13.654 -7.868 1.00 0.00 N ATOM 962 CA SER A 67 -7.671 14.824 -8.201 1.00 0.00 C ATOM 963 C SER A 67 -8.491 15.264 -6.987 1.00 0.00 C ATOM 964 O SER A 67 -8.333 16.382 -6.499 1.00 0.00 O ATOM 965 CB SER A 67 -8.592 14.545 -9.390 1.00 0.00 C ATOM 966 OG SER A 67 -7.913 13.869 -10.445 1.00 0.00 O ATOM 0 H SER A 67 -7.351 12.971 -7.278 1.00 0.00 H new ATOM 0 HA SER A 67 -6.991 15.628 -8.483 1.00 0.00 H new ATOM 0 HB2 SER A 67 -9.438 13.943 -9.059 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.997 15.486 -9.764 1.00 0.00 H new ATOM 0 HG SER A 67 -8.536 13.708 -11.184 1.00 0.00 H new ATOM 972 N GLU A 68 -9.348 14.361 -6.533 1.00 0.00 N ATOM 973 CA GLU A 68 -10.192 14.642 -5.385 1.00 0.00 C ATOM 974 C GLU A 68 -10.807 13.347 -4.849 1.00 0.00 C ATOM 975 O GLU A 68 -11.014 12.396 -5.601 1.00 0.00 O ATOM 976 CB GLU A 68 -11.278 15.660 -5.739 1.00 0.00 C ATOM 977 CG GLU A 68 -12.486 14.972 -6.379 1.00 0.00 C ATOM 978 CD GLU A 68 -13.580 15.988 -6.717 1.00 0.00 C ATOM 979 OE1 GLU A 68 -13.228 17.015 -7.336 1.00 0.00 O ATOM 980 OE2 GLU A 68 -14.742 15.714 -6.348 1.00 0.00 O ATOM 0 H GLU A 68 -9.476 13.434 -6.940 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.573 15.079 -4.601 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.591 16.191 -4.840 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.874 16.405 -6.424 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.175 14.452 -7.285 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.882 14.218 -5.699 1.00 0.00 H new ATOM 987 N GLY A 69 -11.083 13.353 -3.553 1.00 0.00 N ATOM 988 CA GLY A 69 -11.671 12.191 -2.908 1.00 0.00 C ATOM 989 C GLY A 69 -10.589 11.202 -2.470 1.00 0.00 C ATOM 990 O GLY A 69 -10.486 10.872 -1.289 1.00 0.00 O ATOM 0 H GLY A 69 -10.910 14.144 -2.932 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.253 12.507 -2.042 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.361 11.700 -3.594 1.00 0.00 H new ATOM 994 N THR A 70 -9.809 10.756 -3.444 1.00 0.00 N ATOM 995 CA THR A 70 -8.739 9.812 -3.173 1.00 0.00 C ATOM 996 C THR A 70 -7.660 10.462 -2.305 1.00 0.00 C ATOM 997 O THR A 70 -6.917 11.324 -2.773 1.00 0.00 O ATOM 998 CB THR A 70 -8.211 9.298 -4.515 1.00 0.00 C ATOM 999 OG1 THR A 70 -9.099 8.237 -4.854 1.00 0.00 O ATOM 1000 CG2 THR A 70 -6.847 8.616 -4.385 1.00 0.00 C ATOM 0 H THR A 70 -9.897 11.031 -4.422 1.00 0.00 H new ATOM 0 HA THR A 70 -9.101 8.958 -2.600 1.00 0.00 H new ATOM 0 HB THR A 70 -8.136 10.128 -5.218 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.679 7.661 -5.526 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.518 8.270 -5.365 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.121 9.326 -3.989 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.929 7.765 -3.709 1.00 0.00 H new ATOM 1008 N THR A 71 -7.609 10.025 -1.055 1.00 0.00 N ATOM 1009 CA THR A 71 -6.633 10.553 -0.117 1.00 0.00 C ATOM 1010 C THR A 71 -5.998 9.418 0.688 1.00 0.00 C ATOM 1011 O THR A 71 -5.437 9.650 1.758 1.00 0.00 O ATOM 1012 CB THR A 71 -7.333 11.598 0.754 1.00 0.00 C ATOM 1013 OG1 THR A 71 -8.509 10.936 1.214 1.00 0.00 O ATOM 1014 CG2 THR A 71 -7.866 12.779 -0.061 1.00 0.00 C ATOM 0 H THR A 71 -8.228 9.311 -0.670 1.00 0.00 H new ATOM 0 HA THR A 71 -5.808 11.041 -0.637 1.00 0.00 H new ATOM 0 HB THR A 71 -6.638 11.963 1.511 1.00 0.00 H new ATOM 0 HG1 THR A 71 -9.022 11.542 1.788 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.353 13.491 0.606 1.00 0.00 H new ATOM 0 HG22 THR A 71 -7.039 13.270 -0.574 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.586 12.419 -0.796 1.00 0.00 H new ATOM 1022 N GLU A 72 -6.108 8.216 0.143 1.00 0.00 N ATOM 1023 CA GLU A 72 -5.551 7.044 0.798 1.00 0.00 C ATOM 1024 C GLU A 72 -5.474 5.874 -0.185 1.00 0.00 C ATOM 1025 O GLU A 72 -6.331 5.731 -1.055 1.00 0.00 O ATOM 1026 CB GLU A 72 -6.368 6.667 2.036 1.00 0.00 C ATOM 1027 CG GLU A 72 -7.526 5.738 1.667 1.00 0.00 C ATOM 1028 CD GLU A 72 -8.774 6.065 2.489 1.00 0.00 C ATOM 1029 OE1 GLU A 72 -9.244 7.217 2.373 1.00 0.00 O ATOM 1030 OE2 GLU A 72 -9.230 5.155 3.215 1.00 0.00 O ATOM 0 H GLU A 72 -6.574 8.028 -0.744 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.540 7.283 1.129 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.723 6.178 2.766 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.757 7.569 2.508 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.750 5.835 0.605 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.234 4.702 1.838 1.00 0.00 H new ATOM 1037 N LEU A 73 -4.438 5.065 -0.012 1.00 0.00 N ATOM 1038 CA LEU A 73 -4.238 3.912 -0.873 1.00 0.00 C ATOM 1039 C LEU A 73 -4.535 2.635 -0.085 1.00 0.00 C ATOM 1040 O LEU A 73 -4.204 2.538 1.096 1.00 0.00 O ATOM 1041 CB LEU A 73 -2.838 3.941 -1.491 1.00 0.00 C ATOM 1042 CG LEU A 73 -2.428 2.697 -2.281 1.00 0.00 C ATOM 1043 CD1 LEU A 73 -2.863 2.807 -3.743 1.00 0.00 C ATOM 1044 CD2 LEU A 73 -0.926 2.434 -2.148 1.00 0.00 C ATOM 0 H LEU A 73 -3.729 5.186 0.711 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.933 3.939 -1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.772 4.805 -2.152 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.113 4.095 -0.692 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.945 1.837 -1.856 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.559 1.909 -4.282 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.947 2.911 -3.793 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.394 3.679 -4.198 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.660 1.544 -2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.371 3.290 -2.532 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.675 2.280 -1.099 1.00 0.00 H new ATOM 1056 N LYS A 74 -5.157 1.686 -0.770 1.00 0.00 N ATOM 1057 CA LYS A 74 -5.503 0.419 -0.148 1.00 0.00 C ATOM 1058 C LYS A 74 -4.524 -0.658 -0.618 1.00 0.00 C ATOM 1059 O LYS A 74 -4.450 -0.959 -1.808 1.00 0.00 O ATOM 1060 CB LYS A 74 -6.970 0.075 -0.414 1.00 0.00 C ATOM 1061 CG LYS A 74 -7.860 0.535 0.743 1.00 0.00 C ATOM 1062 CD LYS A 74 -7.743 2.045 0.958 1.00 0.00 C ATOM 1063 CE LYS A 74 -9.116 2.716 0.888 1.00 0.00 C ATOM 1064 NZ LYS A 74 -9.965 2.277 2.018 1.00 0.00 N ATOM 0 H LYS A 74 -5.430 1.769 -1.749 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.407 0.487 0.936 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.296 0.550 -1.339 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.075 -1.001 -0.553 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.897 0.273 0.535 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.576 0.011 1.656 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.286 2.244 1.927 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.086 2.474 0.202 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.000 3.799 0.912 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.601 2.469 -0.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.828 1.828 1.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.441 1.594 2.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.224 3.100 2.598 1.00 0.00 H new ATOM 1078 N ALA A 75 -3.797 -1.211 0.342 1.00 0.00 N ATOM 1079 CA ALA A 75 -2.825 -2.248 0.042 1.00 0.00 C ATOM 1080 C ALA A 75 -3.270 -3.561 0.690 1.00 0.00 C ATOM 1081 O ALA A 75 -3.152 -3.730 1.903 1.00 0.00 O ATOM 1082 CB ALA A 75 -1.440 -1.804 0.517 1.00 0.00 C ATOM 0 H ALA A 75 -3.862 -0.960 1.329 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.762 -2.415 -1.033 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.711 -2.583 0.292 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.158 -0.884 0.006 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.463 -1.629 1.593 1.00 0.00 H new ATOM 1088 N LYS A 76 -3.773 -4.456 -0.147 1.00 0.00 N ATOM 1089 CA LYS A 76 -4.236 -5.748 0.329 1.00 0.00 C ATOM 1090 C LYS A 76 -3.193 -6.816 -0.008 1.00 0.00 C ATOM 1091 O LYS A 76 -2.820 -6.979 -1.169 1.00 0.00 O ATOM 1092 CB LYS A 76 -5.630 -6.055 -0.223 1.00 0.00 C ATOM 1093 CG LYS A 76 -6.715 -5.384 0.622 1.00 0.00 C ATOM 1094 CD LYS A 76 -8.106 -5.881 0.225 1.00 0.00 C ATOM 1095 CE LYS A 76 -9.153 -5.464 1.259 1.00 0.00 C ATOM 1096 NZ LYS A 76 -9.670 -4.111 0.958 1.00 0.00 N ATOM 0 H LYS A 76 -3.870 -4.312 -1.152 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.343 -5.737 1.414 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.701 -5.709 -1.254 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.790 -7.133 -0.237 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.539 -5.591 1.678 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.662 -4.303 0.496 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.374 -5.479 -0.752 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.095 -6.967 0.131 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.974 -6.181 1.263 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.713 -5.478 2.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.380 -3.844 1.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.886 -3.428 0.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.108 -4.109 0.015 1.00 0.00 H new ATOM 1110 N ILE A 77 -2.752 -7.515 1.027 1.00 0.00 N ATOM 1111 CA ILE A 77 -1.760 -8.562 0.855 1.00 0.00 C ATOM 1112 C ILE A 77 -2.460 -9.863 0.461 1.00 0.00 C ATOM 1113 O ILE A 77 -3.436 -10.264 1.095 1.00 0.00 O ATOM 1114 CB ILE A 77 -0.890 -8.686 2.107 1.00 0.00 C ATOM 1115 CG1 ILE A 77 -0.156 -7.375 2.398 1.00 0.00 C ATOM 1116 CG2 ILE A 77 0.074 -9.869 1.990 1.00 0.00 C ATOM 1117 CD1 ILE A 77 -0.997 -6.464 3.294 1.00 0.00 C ATOM 0 H ILE A 77 -3.064 -7.377 1.988 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.077 -8.310 0.044 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.542 -8.885 2.957 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.797 -7.587 2.882 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.068 -6.864 1.462 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.681 -9.935 2.893 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.495 -10.791 1.867 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.723 -9.725 1.126 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.453 -5.539 3.486 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.939 -6.234 2.797 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.199 -6.969 4.239 1.00 0.00 H new ATOM 1129 N PHE A 78 -1.936 -10.488 -0.583 1.00 0.00 N ATOM 1130 CA PHE A 78 -2.499 -11.736 -1.068 1.00 0.00 C ATOM 1131 C PHE A 78 -1.395 -12.736 -1.420 1.00 0.00 C ATOM 1132 O PHE A 78 -0.292 -12.341 -1.795 1.00 0.00 O ATOM 1133 CB PHE A 78 -3.293 -11.406 -2.334 1.00 0.00 C ATOM 1134 CG PHE A 78 -4.567 -10.599 -2.075 1.00 0.00 C ATOM 1135 CD1 PHE A 78 -5.683 -11.220 -1.608 1.00 0.00 C ATOM 1136 CD2 PHE A 78 -4.583 -9.260 -2.313 1.00 0.00 C ATOM 1137 CE1 PHE A 78 -6.865 -10.471 -1.369 1.00 0.00 C ATOM 1138 CE2 PHE A 78 -5.766 -8.511 -2.074 1.00 0.00 C ATOM 1139 CZ PHE A 78 -6.881 -9.132 -1.606 1.00 0.00 C ATOM 0 H PHE A 78 -1.127 -10.153 -1.107 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.127 -12.185 -0.298 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -2.653 -10.847 -3.017 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.560 -12.336 -2.836 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.670 -12.283 -1.419 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.697 -8.766 -2.684 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -7.752 -10.965 -0.999 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -5.780 -7.448 -2.264 1.00 0.00 H new ATOM 0 HZ PHE A 78 -7.780 -8.562 -1.422 1.00 0.00 H new ATOM 1149 N ASP A 79 -1.731 -14.011 -1.287 1.00 0.00 N ATOM 1150 CA ASP A 79 -0.782 -15.070 -1.586 1.00 0.00 C ATOM 1151 C ASP A 79 -0.601 -15.173 -3.102 1.00 0.00 C ATOM 1152 O ASP A 79 -1.450 -14.716 -3.865 1.00 0.00 O ATOM 1153 CB ASP A 79 -1.286 -16.421 -1.077 1.00 0.00 C ATOM 1154 CG ASP A 79 -2.269 -16.346 0.093 1.00 0.00 C ATOM 1155 OD1 ASP A 79 -2.251 -15.303 0.783 1.00 0.00 O ATOM 1156 OD2 ASP A 79 -3.016 -17.332 0.272 1.00 0.00 O ATOM 0 H ASP A 79 -2.647 -14.334 -0.976 1.00 0.00 H new ATOM 0 HA ASP A 79 0.160 -14.828 -1.093 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.766 -16.947 -1.902 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -0.428 -17.021 -0.773 1.00 0.00 H new ATOM 1161 N LYS A 80 0.512 -15.777 -3.493 1.00 0.00 N ATOM 1162 CA LYS A 80 0.815 -15.947 -4.904 1.00 0.00 C ATOM 1163 C LYS A 80 -0.167 -16.947 -5.516 1.00 0.00 C ATOM 1164 O LYS A 80 -0.186 -17.141 -6.730 1.00 0.00 O ATOM 1165 CB LYS A 80 2.284 -16.332 -5.093 1.00 0.00 C ATOM 1166 CG LYS A 80 2.483 -17.839 -4.914 1.00 0.00 C ATOM 1167 CD LYS A 80 3.928 -18.241 -5.217 1.00 0.00 C ATOM 1168 CE LYS A 80 3.986 -19.262 -6.354 1.00 0.00 C ATOM 1169 NZ LYS A 80 5.062 -18.914 -7.309 1.00 0.00 N ATOM 0 H LYS A 80 1.215 -16.155 -2.857 1.00 0.00 H new ATOM 0 HA LYS A 80 0.685 -15.006 -5.438 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.617 -16.033 -6.087 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.901 -15.792 -4.374 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.229 -18.124 -3.893 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.805 -18.380 -5.574 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.506 -17.357 -5.487 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.388 -18.661 -4.322 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.161 -20.258 -5.948 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.028 -19.293 -6.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.088 -19.617 -8.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.879 -17.972 -7.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.977 -18.908 -6.814 1.00 0.00 H new ATOM 1183 N ASP A 81 -0.960 -17.557 -4.646 1.00 0.00 N ATOM 1184 CA ASP A 81 -1.943 -18.532 -5.086 1.00 0.00 C ATOM 1185 C ASP A 81 -3.330 -18.107 -4.600 1.00 0.00 C ATOM 1186 O ASP A 81 -3.982 -18.839 -3.856 1.00 0.00 O ATOM 1187 CB ASP A 81 -1.642 -19.916 -4.507 1.00 0.00 C ATOM 1188 CG ASP A 81 -2.183 -21.091 -5.325 1.00 0.00 C ATOM 1189 OD1 ASP A 81 -1.729 -21.234 -6.480 1.00 0.00 O ATOM 1190 OD2 ASP A 81 -3.038 -21.819 -4.775 1.00 0.00 O ATOM 0 H ASP A 81 -0.941 -17.395 -3.639 1.00 0.00 H new ATOM 0 HA ASP A 81 -1.907 -18.580 -6.174 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -0.562 -20.026 -4.411 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.058 -19.971 -3.501 1.00 0.00 H new ATOM 1195 N VAL A 82 -3.740 -16.927 -5.040 1.00 0.00 N ATOM 1196 CA VAL A 82 -5.038 -16.396 -4.659 1.00 0.00 C ATOM 1197 C VAL A 82 -5.435 -15.285 -5.633 1.00 0.00 C ATOM 1198 O VAL A 82 -4.615 -14.828 -6.428 1.00 0.00 O ATOM 1199 CB VAL A 82 -5.005 -15.930 -3.202 1.00 0.00 C ATOM 1200 CG1 VAL A 82 -3.892 -14.904 -2.979 1.00 0.00 C ATOM 1201 CG2 VAL A 82 -6.363 -15.368 -2.776 1.00 0.00 C ATOM 0 H VAL A 82 -3.196 -16.323 -5.657 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.802 -17.171 -4.721 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.790 -16.797 -2.577 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.891 -14.590 -1.935 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.929 -15.353 -3.224 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.062 -14.038 -3.619 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.313 -15.044 -1.737 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -6.620 -14.519 -3.409 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -7.125 -16.141 -2.879 1.00 0.00 H new ATOM 1211 N GLY A 83 -6.694 -14.882 -5.540 1.00 0.00 N ATOM 1212 CA GLY A 83 -7.210 -13.833 -6.403 1.00 0.00 C ATOM 1213 C GLY A 83 -7.657 -12.620 -5.584 1.00 0.00 C ATOM 1214 O GLY A 83 -8.291 -12.770 -4.541 1.00 0.00 O ATOM 0 H GLY A 83 -7.372 -15.263 -4.880 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.442 -13.532 -7.115 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.050 -14.215 -6.983 1.00 0.00 H new ATOM 1218 N THR A 84 -7.309 -11.446 -6.089 1.00 0.00 N ATOM 1219 CA THR A 84 -7.667 -10.207 -5.418 1.00 0.00 C ATOM 1220 C THR A 84 -9.050 -10.329 -4.776 1.00 0.00 C ATOM 1221 O THR A 84 -9.311 -9.728 -3.735 1.00 0.00 O ATOM 1222 CB THR A 84 -7.567 -9.071 -6.438 1.00 0.00 C ATOM 1223 OG1 THR A 84 -8.272 -9.562 -7.575 1.00 0.00 O ATOM 1224 CG2 THR A 84 -6.139 -8.864 -6.945 1.00 0.00 C ATOM 0 H THR A 84 -6.783 -11.326 -6.955 1.00 0.00 H new ATOM 0 HA THR A 84 -6.982 -9.988 -4.599 1.00 0.00 H new ATOM 0 HB THR A 84 -7.930 -8.147 -5.989 1.00 0.00 H new ATOM 0 HG1 THR A 84 -8.258 -8.887 -8.285 1.00 0.00 H new ATOM 0 HG21 THR A 84 -6.124 -8.047 -7.666 1.00 0.00 H new ATOM 0 HG22 THR A 84 -5.487 -8.620 -6.106 1.00 0.00 H new ATOM 0 HG23 THR A 84 -5.787 -9.777 -7.425 1.00 0.00 H new ATOM 1232 N GLU A 85 -9.902 -11.109 -5.425 1.00 0.00 N ATOM 1233 CA GLU A 85 -11.252 -11.317 -4.931 1.00 0.00 C ATOM 1234 C GLU A 85 -11.399 -12.731 -4.364 1.00 0.00 C ATOM 1235 O GLU A 85 -12.152 -13.543 -4.899 1.00 0.00 O ATOM 1236 CB GLU A 85 -12.284 -11.058 -6.031 1.00 0.00 C ATOM 1237 CG GLU A 85 -12.158 -9.634 -6.577 1.00 0.00 C ATOM 1238 CD GLU A 85 -13.309 -9.308 -7.530 1.00 0.00 C ATOM 1239 OE1 GLU A 85 -14.395 -9.893 -7.329 1.00 0.00 O ATOM 1240 OE2 GLU A 85 -13.076 -8.482 -8.439 1.00 0.00 O ATOM 0 H GLU A 85 -9.683 -11.605 -6.289 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.438 -10.604 -4.128 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.146 -11.775 -6.840 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -13.288 -11.212 -5.636 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -12.153 -8.923 -5.751 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.207 -9.523 -7.098 1.00 0.00 H new ATOM 1247 N ASP A 86 -10.666 -12.982 -3.289 1.00 0.00 N ATOM 1248 CA ASP A 86 -10.705 -14.283 -2.644 1.00 0.00 C ATOM 1249 C ASP A 86 -10.486 -14.109 -1.140 1.00 0.00 C ATOM 1250 O ASP A 86 -11.399 -14.328 -0.346 1.00 0.00 O ATOM 1251 CB ASP A 86 -9.601 -15.197 -3.180 1.00 0.00 C ATOM 1252 CG ASP A 86 -9.604 -16.617 -2.612 1.00 0.00 C ATOM 1253 OD1 ASP A 86 -10.266 -16.809 -1.569 1.00 0.00 O ATOM 1254 OD2 ASP A 86 -8.945 -17.478 -3.233 1.00 0.00 O ATOM 0 H ASP A 86 -10.042 -12.306 -2.849 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.677 -14.732 -2.850 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.693 -15.256 -4.264 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.635 -14.739 -2.967 1.00 0.00 H new ATOM 1259 N ASP A 87 -9.269 -13.716 -0.794 1.00 0.00 N ATOM 1260 CA ASP A 87 -8.918 -13.509 0.601 1.00 0.00 C ATOM 1261 C ASP A 87 -7.500 -12.941 0.687 1.00 0.00 C ATOM 1262 O ASP A 87 -6.546 -13.570 0.229 1.00 0.00 O ATOM 1263 CB ASP A 87 -8.946 -14.827 1.377 1.00 0.00 C ATOM 1264 CG ASP A 87 -9.952 -14.878 2.529 1.00 0.00 C ATOM 1265 OD1 ASP A 87 -10.491 -13.799 2.859 1.00 0.00 O ATOM 1266 OD2 ASP A 87 -10.159 -15.993 3.053 1.00 0.00 O ATOM 0 H ASP A 87 -8.514 -13.535 -1.455 1.00 0.00 H new ATOM 0 HA ASP A 87 -9.644 -12.820 1.033 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.171 -15.636 0.682 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.950 -15.018 1.776 1.00 0.00 H new ATOM 1271 N ALA A 88 -7.405 -11.758 1.277 1.00 0.00 N ATOM 1272 CA ALA A 88 -6.119 -11.099 1.428 1.00 0.00 C ATOM 1273 C ALA A 88 -5.552 -11.408 2.815 1.00 0.00 C ATOM 1274 O ALA A 88 -6.143 -11.036 3.828 1.00 0.00 O ATOM 1275 CB ALA A 88 -6.285 -9.597 1.188 1.00 0.00 C ATOM 0 H ALA A 88 -8.197 -11.239 1.656 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.408 -11.471 0.691 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.321 -9.102 1.301 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.663 -9.429 0.180 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.990 -9.189 1.912 1.00 0.00 H new ATOM 1281 N VAL A 89 -4.414 -12.087 2.816 1.00 0.00 N ATOM 1282 CA VAL A 89 -3.761 -12.451 4.062 1.00 0.00 C ATOM 1283 C VAL A 89 -3.881 -11.292 5.054 1.00 0.00 C ATOM 1284 O VAL A 89 -3.928 -11.508 6.264 1.00 0.00 O ATOM 1285 CB VAL A 89 -2.312 -12.860 3.793 1.00 0.00 C ATOM 1286 CG1 VAL A 89 -2.206 -14.363 3.530 1.00 0.00 C ATOM 1287 CG2 VAL A 89 -1.722 -12.057 2.632 1.00 0.00 C ATOM 0 H VAL A 89 -3.928 -12.395 1.974 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.251 -13.315 4.511 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.729 -12.635 4.686 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.165 -14.627 3.342 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.568 -14.911 4.400 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.809 -14.624 2.661 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.691 -12.367 2.462 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.308 -12.236 1.731 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.746 -10.995 2.875 1.00 0.00 H new ATOM 1297 N GLY A 90 -3.929 -10.087 4.504 1.00 0.00 N ATOM 1298 CA GLY A 90 -4.042 -8.894 5.325 1.00 0.00 C ATOM 1299 C GLY A 90 -4.151 -7.639 4.456 1.00 0.00 C ATOM 1300 O GLY A 90 -3.992 -7.707 3.238 1.00 0.00 O ATOM 0 H GLY A 90 -3.892 -9.912 3.500 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.918 -8.973 5.968 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -3.173 -8.814 5.978 1.00 0.00 H new ATOM 1304 N GLU A 91 -4.421 -6.522 5.116 1.00 0.00 N ATOM 1305 CA GLU A 91 -4.553 -5.254 4.420 1.00 0.00 C ATOM 1306 C GLU A 91 -4.069 -4.107 5.309 1.00 0.00 C ATOM 1307 O GLU A 91 -3.917 -4.276 6.518 1.00 0.00 O ATOM 1308 CB GLU A 91 -5.997 -5.025 3.967 1.00 0.00 C ATOM 1309 CG GLU A 91 -6.841 -4.441 5.101 1.00 0.00 C ATOM 1310 CD GLU A 91 -6.755 -2.914 5.119 1.00 0.00 C ATOM 1311 OE1 GLU A 91 -7.223 -2.308 4.131 1.00 0.00 O ATOM 1312 OE2 GLU A 91 -6.223 -2.386 6.120 1.00 0.00 O ATOM 0 H GLU A 91 -4.552 -6.469 6.126 1.00 0.00 H new ATOM 0 HA GLU A 91 -3.927 -5.285 3.528 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.011 -4.348 3.113 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.431 -5.968 3.634 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.880 -4.749 4.981 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.499 -4.839 6.056 1.00 0.00 H new ATOM 1319 N ALA A 92 -3.839 -2.966 4.676 1.00 0.00 N ATOM 1320 CA ALA A 92 -3.375 -1.792 5.394 1.00 0.00 C ATOM 1321 C ALA A 92 -3.900 -0.534 4.699 1.00 0.00 C ATOM 1322 O ALA A 92 -4.201 -0.559 3.507 1.00 0.00 O ATOM 1323 CB ALA A 92 -1.848 -1.816 5.480 1.00 0.00 C ATOM 0 H ALA A 92 -3.966 -2.830 3.673 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.759 -1.790 6.414 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.500 -0.935 6.019 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.527 -2.714 6.008 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.427 -1.816 4.475 1.00 0.00 H new ATOM 1329 N THR A 93 -3.994 0.536 5.475 1.00 0.00 N ATOM 1330 CA THR A 93 -4.477 1.802 4.949 1.00 0.00 C ATOM 1331 C THR A 93 -3.329 2.808 4.841 1.00 0.00 C ATOM 1332 O THR A 93 -2.764 3.221 5.852 1.00 0.00 O ATOM 1333 CB THR A 93 -5.621 2.280 5.844 1.00 0.00 C ATOM 1334 OG1 THR A 93 -6.668 1.344 5.600 1.00 0.00 O ATOM 1335 CG2 THR A 93 -6.204 3.618 5.386 1.00 0.00 C ATOM 0 H THR A 93 -3.744 0.552 6.464 1.00 0.00 H new ATOM 0 HA THR A 93 -4.863 1.688 3.936 1.00 0.00 H new ATOM 0 HB THR A 93 -5.264 2.372 6.870 1.00 0.00 H new ATOM 0 HG1 THR A 93 -7.450 1.579 6.143 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.012 3.911 6.056 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.424 4.380 5.403 1.00 0.00 H new ATOM 0 HG23 THR A 93 -6.591 3.518 4.372 1.00 0.00 H new ATOM 1343 N ILE A 94 -3.019 3.173 3.606 1.00 0.00 N ATOM 1344 CA ILE A 94 -1.949 4.122 3.353 1.00 0.00 C ATOM 1345 C ILE A 94 -2.550 5.450 2.889 1.00 0.00 C ATOM 1346 O ILE A 94 -2.917 5.597 1.724 1.00 0.00 O ATOM 1347 CB ILE A 94 -0.930 3.534 2.374 1.00 0.00 C ATOM 1348 CG1 ILE A 94 -0.349 2.223 2.910 1.00 0.00 C ATOM 1349 CG2 ILE A 94 0.163 4.552 2.042 1.00 0.00 C ATOM 1350 CD1 ILE A 94 -0.619 1.068 1.944 1.00 0.00 C ATOM 0 H ILE A 94 -3.490 2.828 2.770 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.396 4.324 4.270 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.446 3.301 1.443 1.00 0.00 H new ATOM 0 HG12 ILE A 94 0.725 2.332 3.061 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -0.786 1.998 3.883 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.874 4.108 1.345 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.288 5.435 1.588 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.683 4.839 2.956 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.196 0.149 2.349 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.694 0.946 1.814 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.159 1.285 0.980 1.00 0.00 H new ATOM 1362 N PRO A 95 -2.635 6.410 3.849 1.00 0.00 N ATOM 1363 CA PRO A 95 -3.186 7.721 3.551 1.00 0.00 C ATOM 1364 C PRO A 95 -2.192 8.563 2.749 1.00 0.00 C ATOM 1365 O PRO A 95 -1.011 8.625 3.086 1.00 0.00 O ATOM 1366 CB PRO A 95 -3.519 8.325 4.905 1.00 0.00 C ATOM 1367 CG PRO A 95 -2.719 7.530 5.925 1.00 0.00 C ATOM 1368 CD PRO A 95 -2.211 6.272 5.239 1.00 0.00 C ATOM 0 HA PRO A 95 -4.075 7.671 2.923 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.253 9.381 4.937 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -4.588 8.259 5.110 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -1.885 8.122 6.302 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -3.341 7.273 6.782 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -1.127 6.190 5.316 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -2.632 5.375 5.694 1.00 0.00 H new ATOM 1376 N LEU A 96 -2.708 9.191 1.702 1.00 0.00 N ATOM 1377 CA LEU A 96 -1.880 10.027 0.849 1.00 0.00 C ATOM 1378 C LEU A 96 -2.060 11.493 1.251 1.00 0.00 C ATOM 1379 O LEU A 96 -1.657 12.395 0.517 1.00 0.00 O ATOM 1380 CB LEU A 96 -2.182 9.753 -0.626 1.00 0.00 C ATOM 1381 CG LEU A 96 -2.536 8.307 -0.980 1.00 0.00 C ATOM 1382 CD1 LEU A 96 -3.391 8.246 -2.247 1.00 0.00 C ATOM 1383 CD2 LEU A 96 -1.277 7.446 -1.096 1.00 0.00 C ATOM 0 H LEU A 96 -3.688 9.138 1.425 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.826 9.785 0.985 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.009 10.394 -0.932 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.314 10.049 -1.215 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.134 7.894 -0.168 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.628 7.207 -2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.315 8.803 -2.090 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.840 8.684 -3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.558 6.423 -1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.632 7.848 -1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.743 7.452 -0.146 1.00 0.00 H new ATOM 1395 N GLU A 97 -2.664 11.685 2.414 1.00 0.00 N ATOM 1396 CA GLU A 97 -2.901 13.025 2.922 1.00 0.00 C ATOM 1397 C GLU A 97 -1.606 13.620 3.477 1.00 0.00 C ATOM 1398 O GLU A 97 -1.402 14.832 3.426 1.00 0.00 O ATOM 1399 CB GLU A 97 -4.003 13.022 3.984 1.00 0.00 C ATOM 1400 CG GLU A 97 -5.047 14.103 3.694 1.00 0.00 C ATOM 1401 CD GLU A 97 -5.881 14.407 4.940 1.00 0.00 C ATOM 1402 OE1 GLU A 97 -5.258 14.716 5.978 1.00 0.00 O ATOM 1403 OE2 GLU A 97 -7.123 14.324 4.825 1.00 0.00 O ATOM 0 H GLU A 97 -2.997 10.934 3.019 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.240 13.650 2.096 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.484 12.044 4.011 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.565 13.189 4.968 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.550 15.012 3.354 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -5.700 13.775 2.886 1.00 0.00 H new ATOM 1410 N PRO A 98 -0.740 12.715 4.009 1.00 0.00 N ATOM 1411 CA PRO A 98 0.530 13.138 4.573 1.00 0.00 C ATOM 1412 C PRO A 98 1.528 13.496 3.470 1.00 0.00 C ATOM 1413 O PRO A 98 2.422 14.315 3.679 1.00 0.00 O ATOM 1414 CB PRO A 98 0.987 11.969 5.431 1.00 0.00 C ATOM 1415 CG PRO A 98 0.195 10.764 4.951 1.00 0.00 C ATOM 1416 CD PRO A 98 -0.947 11.272 4.086 1.00 0.00 C ATOM 0 HA PRO A 98 0.444 14.045 5.171 1.00 0.00 H new ATOM 0 HB2 PRO A 98 2.058 11.800 5.322 1.00 0.00 H new ATOM 0 HB3 PRO A 98 0.800 12.163 6.487 1.00 0.00 H new ATOM 0 HG2 PRO A 98 0.834 10.089 4.382 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -0.191 10.198 5.799 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -0.927 10.816 3.096 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -1.915 11.034 4.528 1.00 0.00 H new ATOM 1424 N VAL A 99 1.343 12.865 2.320 1.00 0.00 N ATOM 1425 CA VAL A 99 2.215 13.107 1.184 1.00 0.00 C ATOM 1426 C VAL A 99 1.717 14.332 0.416 1.00 0.00 C ATOM 1427 O VAL A 99 2.514 15.154 -0.034 1.00 0.00 O ATOM 1428 CB VAL A 99 2.303 11.851 0.315 1.00 0.00 C ATOM 1429 CG1 VAL A 99 3.695 11.220 0.403 1.00 0.00 C ATOM 1430 CG2 VAL A 99 1.219 10.842 0.698 1.00 0.00 C ATOM 0 H VAL A 99 0.601 12.186 2.151 1.00 0.00 H new ATOM 0 HA VAL A 99 3.229 13.325 1.520 1.00 0.00 H new ATOM 0 HB VAL A 99 2.134 12.147 -0.720 1.00 0.00 H new ATOM 0 HG11 VAL A 99 3.731 10.329 -0.224 1.00 0.00 H new ATOM 0 HG12 VAL A 99 4.441 11.936 0.059 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.905 10.945 1.437 1.00 0.00 H new ATOM 0 HG21 VAL A 99 1.304 9.959 0.065 1.00 0.00 H new ATOM 0 HG22 VAL A 99 1.343 10.554 1.742 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.237 11.294 0.560 1.00 0.00 H new ATOM 1440 N PHE A 100 0.401 14.416 0.289 1.00 0.00 N ATOM 1441 CA PHE A 100 -0.214 15.527 -0.418 1.00 0.00 C ATOM 1442 C PHE A 100 0.127 16.859 0.253 1.00 0.00 C ATOM 1443 O PHE A 100 0.077 17.910 -0.384 1.00 0.00 O ATOM 1444 CB PHE A 100 -1.727 15.312 -0.359 1.00 0.00 C ATOM 1445 CG PHE A 100 -2.220 14.122 -1.185 1.00 0.00 C ATOM 1446 CD1 PHE A 100 -1.345 13.419 -1.952 1.00 0.00 C ATOM 1447 CD2 PHE A 100 -3.532 13.768 -1.152 1.00 0.00 C ATOM 1448 CE1 PHE A 100 -1.802 12.314 -2.719 1.00 0.00 C ATOM 1449 CE2 PHE A 100 -3.989 12.664 -1.919 1.00 0.00 C ATOM 1450 CZ PHE A 100 -3.114 11.960 -2.686 1.00 0.00 C ATOM 0 H PHE A 100 -0.257 13.733 0.664 1.00 0.00 H new ATOM 0 HA PHE A 100 0.152 15.564 -1.444 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.023 15.167 0.680 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.226 16.216 -0.709 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -0.303 13.701 -1.978 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -4.227 14.327 -0.542 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.107 11.755 -3.328 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.032 12.383 -1.893 1.00 0.00 H new ATOM 0 HZ PHE A 100 -3.461 11.120 -3.269 1.00 0.00 H new ATOM 1460 N VAL A 101 0.467 16.772 1.531 1.00 0.00 N ATOM 1461 CA VAL A 101 0.816 17.957 2.295 1.00 0.00 C ATOM 1462 C VAL A 101 2.329 18.172 2.231 1.00 0.00 C ATOM 1463 O VAL A 101 2.793 19.214 1.770 1.00 0.00 O ATOM 1464 CB VAL A 101 0.290 17.831 3.726 1.00 0.00 C ATOM 1465 CG1 VAL A 101 0.923 18.884 4.638 1.00 0.00 C ATOM 1466 CG2 VAL A 101 -1.237 17.923 3.759 1.00 0.00 C ATOM 0 H VAL A 101 0.508 15.899 2.056 1.00 0.00 H new ATOM 0 HA VAL A 101 0.343 18.841 1.866 1.00 0.00 H new ATOM 0 HB VAL A 101 0.574 16.848 4.102 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.532 18.772 5.649 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.005 18.751 4.651 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.684 19.880 4.265 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.585 17.830 4.788 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.552 18.885 3.354 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.663 17.119 3.158 1.00 0.00 H new ATOM 1476 N GLU A 102 3.058 17.170 2.701 1.00 0.00 N ATOM 1477 CA GLU A 102 4.509 17.237 2.703 1.00 0.00 C ATOM 1478 C GLU A 102 5.044 17.210 1.270 1.00 0.00 C ATOM 1479 O GLU A 102 5.813 18.085 0.874 1.00 0.00 O ATOM 1480 CB GLU A 102 5.109 16.100 3.534 1.00 0.00 C ATOM 1481 CG GLU A 102 4.539 16.098 4.953 1.00 0.00 C ATOM 1482 CD GLU A 102 5.659 16.119 5.995 1.00 0.00 C ATOM 1483 OE1 GLU A 102 6.597 16.923 5.804 1.00 0.00 O ATOM 1484 OE2 GLU A 102 5.553 15.329 6.958 1.00 0.00 O ATOM 0 H GLU A 102 2.670 16.307 3.083 1.00 0.00 H new ATOM 0 HA GLU A 102 4.809 18.178 3.164 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.900 15.144 3.053 1.00 0.00 H new ATOM 0 HB3 GLU A 102 6.193 16.207 3.574 1.00 0.00 H new ATOM 0 HG2 GLU A 102 3.894 16.966 5.090 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.919 15.213 5.098 1.00 0.00 H new ATOM 1491 N GLY A 103 4.616 16.197 0.532 1.00 0.00 N ATOM 1492 CA GLY A 103 5.043 16.044 -0.849 1.00 0.00 C ATOM 1493 C GLY A 103 5.841 14.753 -1.037 1.00 0.00 C ATOM 1494 O GLY A 103 6.024 14.290 -2.162 1.00 0.00 O ATOM 0 H GLY A 103 3.978 15.474 0.864 1.00 0.00 H new ATOM 0 HA2 GLY A 103 4.172 16.036 -1.504 1.00 0.00 H new ATOM 0 HA3 GLY A 103 5.653 16.899 -1.141 1.00 0.00 H new ATOM 1498 N SER A 104 6.295 14.207 0.082 1.00 0.00 N ATOM 1499 CA SER A 104 7.070 12.978 0.054 1.00 0.00 C ATOM 1500 C SER A 104 7.153 12.381 1.460 1.00 0.00 C ATOM 1501 O SER A 104 7.708 12.997 2.369 1.00 0.00 O ATOM 1502 CB SER A 104 8.474 13.225 -0.501 1.00 0.00 C ATOM 1503 OG SER A 104 8.450 14.035 -1.673 1.00 0.00 O ATOM 0 H SER A 104 6.141 14.593 1.013 1.00 0.00 H new ATOM 0 HA SER A 104 6.567 12.271 -0.606 1.00 0.00 H new ATOM 0 HB2 SER A 104 9.085 13.708 0.261 1.00 0.00 H new ATOM 0 HB3 SER A 104 8.946 12.270 -0.730 1.00 0.00 H new ATOM 0 HG SER A 104 7.704 13.760 -2.246 1.00 0.00 H new ATOM 1509 N ILE A 105 6.593 11.187 1.595 1.00 0.00 N ATOM 1510 CA ILE A 105 6.596 10.499 2.875 1.00 0.00 C ATOM 1511 C ILE A 105 7.438 9.227 2.763 1.00 0.00 C ATOM 1512 O ILE A 105 7.393 8.536 1.746 1.00 0.00 O ATOM 1513 CB ILE A 105 5.164 10.250 3.353 1.00 0.00 C ATOM 1514 CG1 ILE A 105 4.344 11.541 3.323 1.00 0.00 C ATOM 1515 CG2 ILE A 105 5.154 9.596 4.736 1.00 0.00 C ATOM 1516 CD1 ILE A 105 4.585 12.374 4.583 1.00 0.00 C ATOM 0 H ILE A 105 6.134 10.679 0.839 1.00 0.00 H new ATOM 0 HA ILE A 105 7.059 11.121 3.641 1.00 0.00 H new ATOM 0 HB ILE A 105 4.690 9.552 2.663 1.00 0.00 H new ATOM 0 HG12 ILE A 105 4.610 12.124 2.441 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.284 11.301 3.239 1.00 0.00 H new ATOM 0 HG21 ILE A 105 4.124 9.430 5.052 1.00 0.00 H new ATOM 0 HG22 ILE A 105 5.678 8.641 4.691 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.652 10.250 5.451 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.990 13.286 4.536 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.296 11.797 5.461 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.642 12.633 4.651 1.00 0.00 H new ATOM 1528 N PRO A 106 8.205 8.947 3.850 1.00 0.00 N ATOM 1529 CA PRO A 106 9.056 7.770 3.883 1.00 0.00 C ATOM 1530 C PRO A 106 8.228 6.501 4.099 1.00 0.00 C ATOM 1531 O PRO A 106 7.022 6.575 4.332 1.00 0.00 O ATOM 1532 CB PRO A 106 10.046 8.031 5.006 1.00 0.00 C ATOM 1533 CG PRO A 106 9.428 9.126 5.860 1.00 0.00 C ATOM 1534 CD PRO A 106 8.284 9.742 5.072 1.00 0.00 C ATOM 0 HA PRO A 106 9.578 7.602 2.941 1.00 0.00 H new ATOM 0 HB2 PRO A 106 10.218 7.129 5.593 1.00 0.00 H new ATOM 0 HB3 PRO A 106 11.012 8.343 4.610 1.00 0.00 H new ATOM 0 HG2 PRO A 106 9.065 8.716 6.802 1.00 0.00 H new ATOM 0 HG3 PRO A 106 10.172 9.883 6.107 1.00 0.00 H new ATOM 0 HD2 PRO A 106 7.350 9.701 5.632 1.00 0.00 H new ATOM 0 HD3 PRO A 106 8.476 10.792 4.850 1.00 0.00 H new ATOM 1542 N PRO A 107 8.926 5.337 4.011 1.00 0.00 N ATOM 1543 CA PRO A 107 8.268 4.055 4.194 1.00 0.00 C ATOM 1544 C PRO A 107 7.963 3.801 5.672 1.00 0.00 C ATOM 1545 O PRO A 107 8.876 3.615 6.475 1.00 0.00 O ATOM 1546 CB PRO A 107 9.225 3.034 3.602 1.00 0.00 C ATOM 1547 CG PRO A 107 10.578 3.723 3.530 1.00 0.00 C ATOM 1548 CD PRO A 107 10.354 5.212 3.737 1.00 0.00 C ATOM 0 HA PRO A 107 7.298 4.006 3.700 1.00 0.00 H new ATOM 0 HB2 PRO A 107 9.275 2.140 4.223 1.00 0.00 H new ATOM 0 HB3 PRO A 107 8.895 2.717 2.613 1.00 0.00 H new ATOM 0 HG2 PRO A 107 11.249 3.328 4.293 1.00 0.00 H new ATOM 0 HG3 PRO A 107 11.050 3.538 2.565 1.00 0.00 H new ATOM 0 HD2 PRO A 107 10.951 5.591 4.567 1.00 0.00 H new ATOM 0 HD3 PRO A 107 10.639 5.782 2.853 1.00 0.00 H new ATOM 1556 N THR A 108 6.676 3.801 5.986 1.00 0.00 N ATOM 1557 CA THR A 108 6.239 3.573 7.353 1.00 0.00 C ATOM 1558 C THR A 108 5.433 2.276 7.446 1.00 0.00 C ATOM 1559 O THR A 108 4.679 1.943 6.533 1.00 0.00 O ATOM 1560 CB THR A 108 5.460 4.807 7.813 1.00 0.00 C ATOM 1561 OG1 THR A 108 6.430 5.595 8.498 1.00 0.00 O ATOM 1562 CG2 THR A 108 4.421 4.478 8.887 1.00 0.00 C ATOM 0 H THR A 108 5.921 3.955 5.317 1.00 0.00 H new ATOM 0 HA THR A 108 7.089 3.439 8.022 1.00 0.00 H new ATOM 0 HB THR A 108 4.964 5.262 6.956 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.010 6.416 8.828 1.00 0.00 H new ATOM 0 HG21 THR A 108 3.897 5.389 9.178 1.00 0.00 H new ATOM 0 HG22 THR A 108 3.705 3.758 8.492 1.00 0.00 H new ATOM 0 HG23 THR A 108 4.920 4.053 9.758 1.00 0.00 H new ATOM 1570 N ALA A 109 5.619 1.580 8.558 1.00 0.00 N ATOM 1571 CA ALA A 109 4.919 0.327 8.782 1.00 0.00 C ATOM 1572 C ALA A 109 3.457 0.619 9.128 1.00 0.00 C ATOM 1573 O ALA A 109 3.130 0.882 10.284 1.00 0.00 O ATOM 1574 CB ALA A 109 5.630 -0.467 9.880 1.00 0.00 C ATOM 0 H ALA A 109 6.244 1.860 9.313 1.00 0.00 H new ATOM 0 HA ALA A 109 4.929 -0.284 7.879 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.104 -1.407 10.048 1.00 0.00 H new ATOM 0 HB2 ALA A 109 6.655 -0.674 9.573 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.638 0.114 10.802 1.00 0.00 H new ATOM 1580 N TYR A 110 2.618 0.564 8.104 1.00 0.00 N ATOM 1581 CA TYR A 110 1.199 0.820 8.285 1.00 0.00 C ATOM 1582 C TYR A 110 0.502 -0.383 8.925 1.00 0.00 C ATOM 1583 O TYR A 110 0.711 -1.520 8.506 1.00 0.00 O ATOM 1584 CB TYR A 110 0.628 1.039 6.883 1.00 0.00 C ATOM 1585 CG TYR A 110 1.042 2.365 6.242 1.00 0.00 C ATOM 1586 CD1 TYR A 110 0.605 3.558 6.779 1.00 0.00 C ATOM 1587 CD2 TYR A 110 1.855 2.367 5.126 1.00 0.00 C ATOM 1588 CE1 TYR A 110 0.995 4.806 6.176 1.00 0.00 C ATOM 1589 CE2 TYR A 110 2.245 3.615 4.523 1.00 0.00 C ATOM 1590 CZ TYR A 110 1.796 4.773 5.078 1.00 0.00 C ATOM 1591 OH TYR A 110 2.165 5.951 4.508 1.00 0.00 O ATOM 0 H TYR A 110 2.893 0.346 7.146 1.00 0.00 H new ATOM 0 HA TYR A 110 1.044 1.679 8.938 1.00 0.00 H new ATOM 0 HB2 TYR A 110 0.949 0.220 6.239 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -0.460 0.996 6.934 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -0.030 3.556 7.652 1.00 0.00 H new ATOM 0 HD2 TYR A 110 2.198 1.433 4.706 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.659 5.747 6.587 1.00 0.00 H new ATOM 0 HE2 TYR A 110 2.880 3.631 3.649 1.00 0.00 H new ATOM 0 HH TYR A 110 2.738 5.774 3.733 1.00 0.00 H new ATOM 1601 N ASN A 111 -0.311 -0.090 9.929 1.00 0.00 N ATOM 1602 CA ASN A 111 -1.040 -1.133 10.630 1.00 0.00 C ATOM 1603 C ASN A 111 -1.696 -2.066 9.610 1.00 0.00 C ATOM 1604 O ASN A 111 -2.530 -1.634 8.815 1.00 0.00 O ATOM 1605 CB ASN A 111 -2.145 -0.539 11.506 1.00 0.00 C ATOM 1606 CG ASN A 111 -1.634 0.675 12.285 1.00 0.00 C ATOM 1607 OD1 ASN A 111 -0.587 1.232 11.999 1.00 0.00 O ATOM 1608 ND2 ASN A 111 -2.429 1.052 13.282 1.00 0.00 N ATOM 0 H ASN A 111 -0.481 0.855 10.274 1.00 0.00 H new ATOM 0 HA ASN A 111 -0.333 -1.674 11.258 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -2.990 -0.246 10.883 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -2.509 -1.295 12.202 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -2.176 1.852 13.862 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -3.292 0.541 13.467 1.00 0.00 H new ATOM 1615 N VAL A 112 -1.294 -3.327 9.664 1.00 0.00 N ATOM 1616 CA VAL A 112 -1.832 -4.324 8.755 1.00 0.00 C ATOM 1617 C VAL A 112 -2.793 -5.238 9.518 1.00 0.00 C ATOM 1618 O VAL A 112 -2.370 -6.009 10.378 1.00 0.00 O ATOM 1619 CB VAL A 112 -0.691 -5.086 8.079 1.00 0.00 C ATOM 1620 CG1 VAL A 112 -1.196 -6.387 7.452 1.00 0.00 C ATOM 1621 CG2 VAL A 112 0.012 -4.212 7.038 1.00 0.00 C ATOM 0 H VAL A 112 -0.601 -3.681 10.324 1.00 0.00 H new ATOM 0 HA VAL A 112 -2.402 -3.846 7.958 1.00 0.00 H new ATOM 0 HB VAL A 112 0.039 -5.345 8.846 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -0.365 -6.909 6.978 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -1.628 -7.020 8.227 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -1.955 -6.160 6.704 1.00 0.00 H new ATOM 0 HG21 VAL A 112 0.819 -4.778 6.573 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -0.704 -3.907 6.275 1.00 0.00 H new ATOM 0 HG23 VAL A 112 0.423 -3.327 7.524 1.00 0.00 H new ATOM 1631 N VAL A 113 -4.067 -5.123 9.175 1.00 0.00 N ATOM 1632 CA VAL A 113 -5.091 -5.930 9.817 1.00 0.00 C ATOM 1633 C VAL A 113 -5.710 -6.876 8.786 1.00 0.00 C ATOM 1634 O VAL A 113 -5.465 -6.740 7.588 1.00 0.00 O ATOM 1635 CB VAL A 113 -6.123 -5.025 10.492 1.00 0.00 C ATOM 1636 CG1 VAL A 113 -5.780 -4.807 11.967 1.00 0.00 C ATOM 1637 CG2 VAL A 113 -6.248 -3.689 9.755 1.00 0.00 C ATOM 0 H VAL A 113 -4.414 -4.483 8.461 1.00 0.00 H new ATOM 0 HA VAL A 113 -4.654 -6.546 10.603 1.00 0.00 H new ATOM 0 HB VAL A 113 -7.090 -5.526 10.443 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.529 -4.160 12.423 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -5.767 -5.767 12.483 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -4.799 -4.338 12.047 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.988 -3.065 10.256 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.284 -3.181 9.757 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -6.561 -3.869 8.727 1.00 0.00 H new ATOM 1647 N LYS A 114 -6.499 -7.813 9.289 1.00 0.00 N ATOM 1648 CA LYS A 114 -7.154 -8.782 8.427 1.00 0.00 C ATOM 1649 C LYS A 114 -8.561 -9.063 8.958 1.00 0.00 C ATOM 1650 O LYS A 114 -8.756 -9.978 9.757 1.00 0.00 O ATOM 1651 CB LYS A 114 -6.292 -10.037 8.278 1.00 0.00 C ATOM 1652 CG LYS A 114 -7.062 -11.150 7.565 1.00 0.00 C ATOM 1653 CD LYS A 114 -7.811 -10.606 6.347 1.00 0.00 C ATOM 1654 CE LYS A 114 -8.648 -11.702 5.684 1.00 0.00 C ATOM 1655 NZ LYS A 114 -9.588 -11.114 4.704 1.00 0.00 N ATOM 0 H LYS A 114 -6.700 -7.922 10.283 1.00 0.00 H new ATOM 0 HA LYS A 114 -7.267 -8.379 7.420 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.389 -9.798 7.717 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.974 -10.383 9.262 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.371 -11.932 7.252 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.769 -11.608 8.256 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -8.458 -9.783 6.651 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.098 -10.202 5.628 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -7.993 -12.417 5.185 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -9.203 -12.254 6.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -9.910 -11.852 4.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -10.408 -10.716 5.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -9.108 -10.360 4.172 1.00 0.00 H new ATOM 1669 N ASP A 115 -9.506 -8.258 8.494 1.00 0.00 N ATOM 1670 CA ASP A 115 -10.889 -8.408 8.913 1.00 0.00 C ATOM 1671 C ASP A 115 -11.116 -7.616 10.203 1.00 0.00 C ATOM 1672 O ASP A 115 -12.247 -7.257 10.524 1.00 0.00 O ATOM 1673 CB ASP A 115 -11.224 -9.874 9.194 1.00 0.00 C ATOM 1674 CG ASP A 115 -12.668 -10.277 8.893 1.00 0.00 C ATOM 1675 OD1 ASP A 115 -13.364 -9.459 8.254 1.00 0.00 O ATOM 1676 OD2 ASP A 115 -13.044 -11.395 9.308 1.00 0.00 O ATOM 0 H ASP A 115 -9.341 -7.500 7.832 1.00 0.00 H new ATOM 0 HA ASP A 115 -11.526 -8.040 8.109 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -10.557 -10.503 8.604 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -11.015 -10.084 10.243 1.00 0.00 H new ATOM 1681 N GLU A 116 -10.021 -7.366 10.906 1.00 0.00 N ATOM 1682 CA GLU A 116 -10.086 -6.623 12.153 1.00 0.00 C ATOM 1683 C GLU A 116 -8.893 -6.975 13.044 1.00 0.00 C ATOM 1684 O GLU A 116 -8.546 -6.219 13.950 1.00 0.00 O ATOM 1685 CB GLU A 116 -11.408 -6.884 12.879 1.00 0.00 C ATOM 1686 CG GLU A 116 -11.778 -8.368 12.827 1.00 0.00 C ATOM 1687 CD GLU A 116 -11.963 -8.936 14.235 1.00 0.00 C ATOM 1688 OE1 GLU A 116 -12.526 -8.200 15.074 1.00 0.00 O ATOM 1689 OE2 GLU A 116 -11.539 -10.094 14.440 1.00 0.00 O ATOM 0 H GLU A 116 -9.084 -7.665 10.636 1.00 0.00 H new ATOM 0 HA GLU A 116 -10.040 -5.559 11.921 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -11.327 -6.562 13.917 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -12.201 -6.292 12.423 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.697 -8.498 12.255 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.998 -8.923 12.307 1.00 0.00 H new ATOM 1696 N GLU A 117 -8.298 -8.123 12.755 1.00 0.00 N ATOM 1697 CA GLU A 117 -7.151 -8.585 13.518 1.00 0.00 C ATOM 1698 C GLU A 117 -5.856 -8.044 12.909 1.00 0.00 C ATOM 1699 O GLU A 117 -5.687 -8.054 11.691 1.00 0.00 O ATOM 1700 CB GLU A 117 -7.124 -10.113 13.597 1.00 0.00 C ATOM 1701 CG GLU A 117 -8.021 -10.619 14.729 1.00 0.00 C ATOM 1702 CD GLU A 117 -8.935 -11.745 14.241 1.00 0.00 C ATOM 1703 OE1 GLU A 117 -8.542 -12.410 13.259 1.00 0.00 O ATOM 1704 OE2 GLU A 117 -10.007 -11.915 14.862 1.00 0.00 O ATOM 0 H GLU A 117 -8.589 -8.747 12.003 1.00 0.00 H new ATOM 0 HA GLU A 117 -7.238 -8.203 14.535 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -7.456 -10.536 12.649 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -6.101 -10.454 13.758 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -7.405 -10.977 15.554 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -8.624 -9.797 15.115 1.00 0.00 H new ATOM 1711 N TYR A 118 -4.974 -7.585 13.785 1.00 0.00 N ATOM 1712 CA TYR A 118 -3.699 -7.042 13.349 1.00 0.00 C ATOM 1713 C TYR A 118 -2.747 -8.158 12.915 1.00 0.00 C ATOM 1714 O TYR A 118 -2.309 -8.960 13.739 1.00 0.00 O ATOM 1715 CB TYR A 118 -3.107 -6.327 14.565 1.00 0.00 C ATOM 1716 CG TYR A 118 -1.889 -5.459 14.245 1.00 0.00 C ATOM 1717 CD1 TYR A 118 -2.057 -4.223 13.654 1.00 0.00 C ATOM 1718 CD2 TYR A 118 -0.621 -5.912 14.548 1.00 0.00 C ATOM 1719 CE1 TYR A 118 -0.910 -3.407 13.352 1.00 0.00 C ATOM 1720 CE2 TYR A 118 0.526 -5.095 14.246 1.00 0.00 C ATOM 1721 CZ TYR A 118 0.325 -3.883 13.663 1.00 0.00 C ATOM 1722 OH TYR A 118 1.408 -3.112 13.379 1.00 0.00 O ATOM 0 H TYR A 118 -5.118 -7.578 14.795 1.00 0.00 H new ATOM 0 HA TYR A 118 -3.837 -6.375 12.498 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.877 -5.702 15.016 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -2.824 -7.072 15.309 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -3.049 -3.868 13.418 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -0.489 -6.879 15.011 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -1.028 -2.439 12.889 1.00 0.00 H new ATOM 0 HE2 TYR A 118 1.524 -5.437 14.477 1.00 0.00 H new ATOM 0 HH TYR A 118 2.227 -3.606 13.594 1.00 0.00 H new ATOM 1732 N LYS A 119 -2.454 -8.173 11.623 1.00 0.00 N ATOM 1733 CA LYS A 119 -1.561 -9.177 11.070 1.00 0.00 C ATOM 1734 C LYS A 119 -0.113 -8.715 11.240 1.00 0.00 C ATOM 1735 O LYS A 119 0.786 -9.534 11.424 1.00 0.00 O ATOM 1736 CB LYS A 119 -1.941 -9.492 9.622 1.00 0.00 C ATOM 1737 CG LYS A 119 -3.373 -10.024 9.534 1.00 0.00 C ATOM 1738 CD LYS A 119 -3.551 -11.268 10.405 1.00 0.00 C ATOM 1739 CE LYS A 119 -4.417 -10.962 11.629 1.00 0.00 C ATOM 1740 NZ LYS A 119 -4.326 -12.060 12.617 1.00 0.00 N ATOM 0 H LYS A 119 -2.819 -7.506 10.943 1.00 0.00 H new ATOM 0 HA LYS A 119 -1.661 -10.117 11.613 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -1.845 -8.593 9.013 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.250 -10.229 9.213 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -4.072 -9.250 9.852 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.612 -10.264 8.498 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.012 -12.063 9.819 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.576 -11.633 10.727 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.094 -10.027 12.086 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -5.454 -10.826 11.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -5.278 -12.293 12.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.907 -12.899 12.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.729 -11.761 13.414 1.00 0.00 H new ATOM 1754 N GLY A 120 0.068 -7.404 11.171 1.00 0.00 N ATOM 1755 CA GLY A 120 1.392 -6.823 11.315 1.00 0.00 C ATOM 1756 C GLY A 120 1.413 -5.377 10.817 1.00 0.00 C ATOM 1757 O GLY A 120 0.548 -4.580 11.176 1.00 0.00 O ATOM 0 H GLY A 120 -0.680 -6.728 11.017 1.00 0.00 H new ATOM 0 HA2 GLY A 120 1.695 -6.855 12.361 1.00 0.00 H new ATOM 0 HA3 GLY A 120 2.116 -7.415 10.755 1.00 0.00 H new ATOM 1761 N GLU A 121 2.411 -5.081 9.996 1.00 0.00 N ATOM 1762 CA GLU A 121 2.556 -3.745 9.445 1.00 0.00 C ATOM 1763 C GLU A 121 3.191 -3.810 8.055 1.00 0.00 C ATOM 1764 O GLU A 121 3.935 -4.741 7.751 1.00 0.00 O ATOM 1765 CB GLU A 121 3.374 -2.852 10.380 1.00 0.00 C ATOM 1766 CG GLU A 121 4.505 -3.642 11.042 1.00 0.00 C ATOM 1767 CD GLU A 121 3.960 -4.580 12.121 1.00 0.00 C ATOM 1768 OE1 GLU A 121 3.599 -4.058 13.198 1.00 0.00 O ATOM 1769 OE2 GLU A 121 3.916 -5.798 11.845 1.00 0.00 O ATOM 0 H GLU A 121 3.127 -5.744 9.700 1.00 0.00 H new ATOM 0 HA GLU A 121 1.564 -3.303 9.350 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.790 -2.016 9.818 1.00 0.00 H new ATOM 0 HB3 GLU A 121 2.724 -2.429 11.146 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.039 -4.220 10.288 1.00 0.00 H new ATOM 0 HG3 GLU A 121 5.225 -2.953 11.484 1.00 0.00 H new ATOM 1776 N ILE A 122 2.874 -2.808 7.247 1.00 0.00 N ATOM 1777 CA ILE A 122 3.404 -2.740 5.896 1.00 0.00 C ATOM 1778 C ILE A 122 4.175 -1.430 5.721 1.00 0.00 C ATOM 1779 O ILE A 122 3.671 -0.360 6.057 1.00 0.00 O ATOM 1780 CB ILE A 122 2.285 -2.937 4.871 1.00 0.00 C ATOM 1781 CG1 ILE A 122 2.842 -2.947 3.446 1.00 0.00 C ATOM 1782 CG2 ILE A 122 1.186 -1.888 5.050 1.00 0.00 C ATOM 1783 CD1 ILE A 122 1.712 -2.960 2.415 1.00 0.00 C ATOM 0 H ILE A 122 2.257 -2.037 7.502 1.00 0.00 H new ATOM 0 HA ILE A 122 4.110 -3.552 5.722 1.00 0.00 H new ATOM 0 HB ILE A 122 1.830 -3.912 5.045 1.00 0.00 H new ATOM 0 HG12 ILE A 122 3.470 -2.070 3.291 1.00 0.00 H new ATOM 0 HG13 ILE A 122 3.477 -3.822 3.306 1.00 0.00 H new ATOM 0 HG21 ILE A 122 0.403 -2.051 4.309 1.00 0.00 H new ATOM 0 HG22 ILE A 122 0.762 -1.973 6.051 1.00 0.00 H new ATOM 0 HG23 ILE A 122 1.609 -0.892 4.918 1.00 0.00 H new ATOM 0 HD11 ILE A 122 2.136 -2.967 1.411 1.00 0.00 H new ATOM 0 HD12 ILE A 122 1.100 -3.851 2.557 1.00 0.00 H new ATOM 0 HD13 ILE A 122 1.094 -2.071 2.542 1.00 0.00 H new ATOM 1795 N TRP A 123 5.384 -1.558 5.195 1.00 0.00 N ATOM 1796 CA TRP A 123 6.229 -0.398 4.971 1.00 0.00 C ATOM 1797 C TRP A 123 5.986 0.096 3.544 1.00 0.00 C ATOM 1798 O TRP A 123 6.293 -0.603 2.580 1.00 0.00 O ATOM 1799 CB TRP A 123 7.698 -0.728 5.247 1.00 0.00 C ATOM 1800 CG TRP A 123 8.005 -1.016 6.718 1.00 0.00 C ATOM 1801 CD1 TRP A 123 7.599 -2.057 7.457 1.00 0.00 C ATOM 1802 CD2 TRP A 123 8.806 -0.205 7.603 1.00 0.00 C ATOM 1803 NE1 TRP A 123 8.078 -1.978 8.749 1.00 0.00 N ATOM 1804 CE2 TRP A 123 8.835 -0.816 8.841 1.00 0.00 C ATOM 1805 CE3 TRP A 123 9.483 1.004 7.367 1.00 0.00 C ATOM 1806 CZ2 TRP A 123 9.527 -0.291 9.939 1.00 0.00 C ATOM 1807 CZ3 TRP A 123 10.171 1.516 8.474 1.00 0.00 C ATOM 1808 CH2 TRP A 123 10.209 0.913 9.726 1.00 0.00 C ATOM 0 H TRP A 123 5.799 -2.448 4.917 1.00 0.00 H new ATOM 0 HA TRP A 123 5.975 0.403 5.665 1.00 0.00 H new ATOM 0 HB2 TRP A 123 7.983 -1.594 4.650 1.00 0.00 H new ATOM 0 HB3 TRP A 123 8.316 0.106 4.914 1.00 0.00 H new ATOM 0 HD1 TRP A 123 6.975 -2.858 7.088 1.00 0.00 H new ATOM 0 HE1 TRP A 123 7.908 -2.649 9.498 1.00 0.00 H new ATOM 0 HE3 TRP A 123 9.473 1.499 6.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 9.534 -0.788 10.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 10.709 2.444 8.346 1.00 0.00 H new ATOM 0 HH2 TRP A 123 10.763 1.372 10.532 1.00 0.00 H new ATOM 1819 N VAL A 124 5.436 1.298 3.454 1.00 0.00 N ATOM 1820 CA VAL A 124 5.147 1.894 2.161 1.00 0.00 C ATOM 1821 C VAL A 124 5.405 3.401 2.229 1.00 0.00 C ATOM 1822 O VAL A 124 4.927 4.076 3.139 1.00 0.00 O ATOM 1823 CB VAL A 124 3.718 1.552 1.734 1.00 0.00 C ATOM 1824 CG1 VAL A 124 3.482 1.919 0.267 1.00 0.00 C ATOM 1825 CG2 VAL A 124 3.410 0.075 1.986 1.00 0.00 C ATOM 0 H VAL A 124 5.183 1.875 4.256 1.00 0.00 H new ATOM 0 HA VAL A 124 5.808 1.485 1.397 1.00 0.00 H new ATOM 0 HB VAL A 124 3.035 2.145 2.342 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.459 1.666 -0.011 1.00 0.00 H new ATOM 0 HG12 VAL A 124 3.641 2.988 0.129 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.177 1.364 -0.363 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.388 -0.142 1.674 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.103 -0.544 1.416 1.00 0.00 H new ATOM 0 HG23 VAL A 124 3.519 -0.143 3.048 1.00 0.00 H new ATOM 1835 N ALA A 125 6.161 3.884 1.254 1.00 0.00 N ATOM 1836 CA ALA A 125 6.489 5.298 1.192 1.00 0.00 C ATOM 1837 C ALA A 125 5.785 5.928 -0.011 1.00 0.00 C ATOM 1838 O ALA A 125 5.808 5.374 -1.109 1.00 0.00 O ATOM 1839 CB ALA A 125 8.009 5.468 1.134 1.00 0.00 C ATOM 0 H ALA A 125 6.556 3.321 0.501 1.00 0.00 H new ATOM 0 HA ALA A 125 6.138 5.813 2.086 1.00 0.00 H new ATOM 0 HB1 ALA A 125 8.255 6.529 1.087 1.00 0.00 H new ATOM 0 HB2 ALA A 125 8.458 5.030 2.025 1.00 0.00 H new ATOM 0 HB3 ALA A 125 8.398 4.966 0.248 1.00 0.00 H new ATOM 1845 N LEU A 126 5.176 7.079 0.235 1.00 0.00 N ATOM 1846 CA LEU A 126 4.467 7.790 -0.814 1.00 0.00 C ATOM 1847 C LEU A 126 5.286 9.010 -1.241 1.00 0.00 C ATOM 1848 O LEU A 126 6.097 9.519 -0.469 1.00 0.00 O ATOM 1849 CB LEU A 126 3.045 8.132 -0.364 1.00 0.00 C ATOM 1850 CG LEU A 126 2.245 6.985 0.256 1.00 0.00 C ATOM 1851 CD1 LEU A 126 1.229 7.511 1.272 1.00 0.00 C ATOM 1852 CD2 LEU A 126 1.581 6.131 -0.827 1.00 0.00 C ATOM 0 H LEU A 126 5.159 7.537 1.146 1.00 0.00 H new ATOM 0 HA LEU A 126 4.355 7.156 -1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 126 3.100 8.944 0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.493 8.510 -1.225 1.00 0.00 H new ATOM 0 HG LEU A 126 2.937 6.340 0.797 1.00 0.00 H new ATOM 0 HD11 LEU A 126 0.674 6.675 1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 126 1.752 8.042 2.068 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.537 8.191 0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 126 1.019 5.323 -0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.904 6.751 -1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 126 2.347 5.710 -1.479 1.00 0.00 H new ATOM 1864 N SER A 127 5.046 9.444 -2.470 1.00 0.00 N ATOM 1865 CA SER A 127 5.751 10.594 -3.009 1.00 0.00 C ATOM 1866 C SER A 127 4.825 11.393 -3.927 1.00 0.00 C ATOM 1867 O SER A 127 4.902 11.273 -5.149 1.00 0.00 O ATOM 1868 CB SER A 127 7.008 10.164 -3.767 1.00 0.00 C ATOM 1869 OG SER A 127 8.192 10.711 -3.192 1.00 0.00 O ATOM 0 H SER A 127 4.373 9.019 -3.108 1.00 0.00 H new ATOM 0 HA SER A 127 6.060 11.226 -2.177 1.00 0.00 H new ATOM 0 HB2 SER A 127 7.075 9.076 -3.769 1.00 0.00 H new ATOM 0 HB3 SER A 127 6.930 10.481 -4.807 1.00 0.00 H new ATOM 0 HG SER A 127 8.973 10.412 -3.703 1.00 0.00 H new ATOM 1875 N PHE A 128 3.969 12.190 -3.304 1.00 0.00 N ATOM 1876 CA PHE A 128 3.029 13.009 -4.051 1.00 0.00 C ATOM 1877 C PHE A 128 3.758 13.906 -5.053 1.00 0.00 C ATOM 1878 O PHE A 128 4.937 14.211 -4.876 1.00 0.00 O ATOM 1879 CB PHE A 128 2.297 13.888 -3.035 1.00 0.00 C ATOM 1880 CG PHE A 128 1.127 14.679 -3.625 1.00 0.00 C ATOM 1881 CD1 PHE A 128 0.108 14.025 -4.245 1.00 0.00 C ATOM 1882 CD2 PHE A 128 1.106 16.035 -3.530 1.00 0.00 C ATOM 1883 CE1 PHE A 128 -0.977 14.758 -4.792 1.00 0.00 C ATOM 1884 CE2 PHE A 128 0.021 16.769 -4.078 1.00 0.00 C ATOM 1885 CZ PHE A 128 -0.998 16.115 -4.697 1.00 0.00 C ATOM 0 H PHE A 128 3.907 12.286 -2.290 1.00 0.00 H new ATOM 0 HA PHE A 128 2.342 12.372 -4.608 1.00 0.00 H new ATOM 0 HB2 PHE A 128 1.926 13.259 -2.226 1.00 0.00 H new ATOM 0 HB3 PHE A 128 3.009 14.586 -2.594 1.00 0.00 H new ATOM 0 HD1 PHE A 128 0.125 12.948 -4.321 1.00 0.00 H new ATOM 0 HD2 PHE A 128 1.915 16.554 -3.038 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -1.786 14.239 -5.284 1.00 0.00 H new ATOM 0 HE2 PHE A 128 0.005 17.846 -4.003 1.00 0.00 H new ATOM 0 HZ PHE A 128 -1.824 16.673 -5.113 1.00 0.00 H new ATOM 1895 N LYS A 129 3.027 14.305 -6.083 1.00 0.00 N ATOM 1896 CA LYS A 129 3.589 15.161 -7.113 1.00 0.00 C ATOM 1897 C LYS A 129 2.550 16.206 -7.525 1.00 0.00 C ATOM 1898 O LYS A 129 1.753 15.970 -8.432 1.00 0.00 O ATOM 1899 CB LYS A 129 4.113 14.322 -8.280 1.00 0.00 C ATOM 1900 CG LYS A 129 5.494 13.745 -7.964 1.00 0.00 C ATOM 1901 CD LYS A 129 5.649 12.340 -8.550 1.00 0.00 C ATOM 1902 CE LYS A 129 6.738 12.311 -9.624 1.00 0.00 C ATOM 1903 NZ LYS A 129 6.441 11.273 -10.636 1.00 0.00 N ATOM 0 H LYS A 129 2.050 14.051 -6.226 1.00 0.00 H new ATOM 0 HA LYS A 129 4.452 15.704 -6.728 1.00 0.00 H new ATOM 0 HB2 LYS A 129 3.416 13.511 -8.491 1.00 0.00 H new ATOM 0 HB3 LYS A 129 4.169 14.937 -9.178 1.00 0.00 H new ATOM 0 HG2 LYS A 129 6.266 14.399 -8.369 1.00 0.00 H new ATOM 0 HG3 LYS A 129 5.639 13.711 -6.884 1.00 0.00 H new ATOM 0 HD2 LYS A 129 5.898 11.636 -7.756 1.00 0.00 H new ATOM 0 HD3 LYS A 129 4.701 12.014 -8.979 1.00 0.00 H new ATOM 0 HE2 LYS A 129 6.808 13.287 -10.105 1.00 0.00 H new ATOM 0 HE3 LYS A 129 7.706 12.112 -9.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 7.190 11.267 -11.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 6.397 10.342 -10.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 5.527 11.480 -11.088 1.00 0.00 H new ATOM 1917 N PRO A 130 2.593 17.368 -6.820 1.00 0.00 N ATOM 1918 CA PRO A 130 1.665 18.450 -7.103 1.00 0.00 C ATOM 1919 C PRO A 130 2.048 19.178 -8.394 1.00 0.00 C ATOM 1920 O PRO A 130 3.206 19.550 -8.581 1.00 0.00 O ATOM 1921 CB PRO A 130 1.721 19.347 -5.877 1.00 0.00 C ATOM 1922 CG PRO A 130 3.012 18.990 -5.158 1.00 0.00 C ATOM 1923 CD PRO A 130 3.523 17.683 -5.740 1.00 0.00 C ATOM 0 HA PRO A 130 0.648 18.097 -7.276 1.00 0.00 H new ATOM 0 HB2 PRO A 130 1.711 20.399 -6.162 1.00 0.00 H new ATOM 0 HB3 PRO A 130 0.857 19.183 -5.233 1.00 0.00 H new ATOM 0 HG2 PRO A 130 3.752 19.780 -5.287 1.00 0.00 H new ATOM 0 HG3 PRO A 130 2.837 18.888 -4.087 1.00 0.00 H new ATOM 0 HD2 PRO A 130 4.542 17.787 -6.113 1.00 0.00 H new ATOM 0 HD3 PRO A 130 3.538 16.894 -4.988 1.00 0.00 H new ATOM 1931 N SER A 131 1.054 19.358 -9.251 1.00 0.00 N ATOM 1932 CA SER A 131 1.272 20.035 -10.518 1.00 0.00 C ATOM 1933 C SER A 131 1.846 21.432 -10.274 1.00 0.00 C ATOM 1934 O SER A 131 1.098 22.403 -10.163 1.00 0.00 O ATOM 1935 CB SER A 131 -0.025 20.127 -11.324 1.00 0.00 C ATOM 1936 OG SER A 131 0.204 20.581 -12.655 1.00 0.00 O ATOM 0 H SER A 131 0.096 19.047 -9.093 1.00 0.00 H new ATOM 0 HA SER A 131 1.988 19.452 -11.098 1.00 0.00 H new ATOM 0 HB2 SER A 131 -0.504 19.148 -11.352 1.00 0.00 H new ATOM 0 HB3 SER A 131 -0.715 20.806 -10.823 1.00 0.00 H new ATOM 0 HG SER A 131 -0.648 20.625 -13.137 1.00 0.00 H new