USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 879 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 21 TYR OH : rot 180:sc= 0.0203 USER MOD Set 1.2: A 94 LYS NZ :NH3+ 146:sc= 0.855 (180deg=0.406) USER MOD Set 2.1: A 78 CYS SG : rot -52:sc= -0.195 USER MOD Set 2.2: A 82 ASN : amide:sc= -0.157 K(o=-0.35,f=0.52) USER MOD Set 3.1: A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 55 LYS NZ :NH3+ -119:sc=-0.00488 (180deg=0) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 CYS SG : rot -151:sc= 0.72 USER MOD Single : A 6 CYS SG : rot 84:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0.0107 USER MOD Single : A 11 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0363) USER MOD Single : A 13 MET CE :methyl -128:sc= -2.78! (180deg=-8.24!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -2.96! C(o=-3!,f=-3.9!) USER MOD Single : A 26 TYR OH : rot 30:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.205 X(o=-0.21,f=-0.014) USER MOD Single : A 39 TYR OH : rot 176:sc= -1.93! USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.299 X(o=-0.3,f=-0.082) USER MOD Single : A 49 MET CE :methyl -115:sc= -0.656 (180deg=-1.88) USER MOD Single : A 50 SER OG : rot 140:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0323 USER MOD Single : A 53 LYS NZ :NH3+ 135:sc=-0.000154 (180deg=-0.018) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 122:sc= -2.16! USER MOD Single : A 65 GLN : amide:sc= -0.095 K(o=-0.095,f=-0.83) USER MOD Single : A 74 MET CE :methyl -173:sc= -0.724 (180deg=-0.974) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc=-0.00173 K(o=-0.0017,f=-1.2) USER MOD Single : A 79 TYR OH : rot 180:sc= 0.241 USER MOD Single : A 80 LYS NZ :NH3+ -169:sc= -0.724 (180deg=-1.01) USER MOD Single : A 81 TYR OH : rot -64:sc= 0.238 USER MOD Single : A 86 HIS : no HD1:sc= -1.26 X(o=-1.3,f=-1.3) USER MOD Single : A 91 MET CE :methyl 168:sc= -0.114 (180deg=-0.381) USER MOD Single : A 96 GLN : amide:sc= -0.0929 X(o=-0.093,f=-0.00062) USER MOD Single : A 101 MET CE :methyl 163:sc= -0.212 (180deg=-0.877) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl -150:sc= -0.704 (180deg=-1.59) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 170.692 -17.555 12.145 1.00 0.00 N ATOM 2 CA GLU A 1 171.256 -17.737 10.779 1.00 0.00 C ATOM 3 C GLU A 1 172.023 -16.498 10.327 1.00 0.00 C ATOM 4 O GLU A 1 171.771 -15.390 10.806 1.00 0.00 O ATOM 5 CB GLU A 1 170.109 -18.025 9.804 1.00 0.00 C ATOM 6 CG GLU A 1 170.530 -18.842 8.590 1.00 0.00 C ATOM 7 CD GLU A 1 170.002 -20.262 8.631 1.00 0.00 C ATOM 8 OE1 GLU A 1 170.462 -21.042 9.491 1.00 0.00 O ATOM 9 OE2 GLU A 1 169.127 -20.594 7.804 1.00 0.00 O ATOM 0 H1 GLU A 1 170.176 -18.414 12.425 1.00 0.00 H new ATOM 0 H2 GLU A 1 171.464 -17.380 12.819 1.00 0.00 H new ATOM 0 H3 GLU A 1 170.041 -16.744 12.147 1.00 0.00 H new ATOM 0 HA GLU A 1 171.955 -18.573 10.796 1.00 0.00 H new ATOM 0 HB2 GLU A 1 169.319 -18.557 10.333 1.00 0.00 H new ATOM 0 HB3 GLU A 1 169.685 -17.080 9.466 1.00 0.00 H new ATOM 0 HG2 GLU A 1 170.172 -18.351 7.685 1.00 0.00 H new ATOM 0 HG3 GLU A 1 171.618 -18.865 8.532 1.00 0.00 H new ATOM 18 N GLN A 2 172.955 -16.694 9.396 1.00 0.00 N ATOM 19 CA GLN A 2 173.759 -15.595 8.866 1.00 0.00 C ATOM 20 C GLN A 2 172.872 -14.548 8.191 1.00 0.00 C ATOM 21 O GLN A 2 173.134 -13.348 8.287 1.00 0.00 O ATOM 22 CB GLN A 2 174.796 -16.123 7.872 1.00 0.00 C ATOM 23 CG GLN A 2 175.740 -17.158 8.465 1.00 0.00 C ATOM 24 CD GLN A 2 176.054 -18.284 7.498 1.00 0.00 C ATOM 25 OE1 GLN A 2 177.056 -18.244 6.786 1.00 0.00 O ATOM 26 NE2 GLN A 2 175.194 -19.298 7.468 1.00 0.00 N ATOM 0 H GLN A 2 173.172 -17.605 8.993 1.00 0.00 H new ATOM 0 HA GLN A 2 174.278 -15.122 9.700 1.00 0.00 H new ATOM 0 HB2 GLN A 2 174.278 -16.563 7.020 1.00 0.00 H new ATOM 0 HB3 GLN A 2 175.381 -15.286 7.492 1.00 0.00 H new ATOM 0 HG2 GLN A 2 176.668 -16.670 8.762 1.00 0.00 H new ATOM 0 HG3 GLN A 2 175.295 -17.574 9.369 1.00 0.00 H new ATOM 0 HE21 GLN A 2 174.375 -19.290 8.076 1.00 0.00 H new ATOM 0 HE22 GLN A 2 175.353 -20.083 6.837 1.00 0.00 H new ATOM 35 N LEU A 3 171.818 -15.011 7.516 1.00 0.00 N ATOM 36 CA LEU A 3 170.888 -14.115 6.834 1.00 0.00 C ATOM 37 C LEU A 3 170.145 -13.231 7.838 1.00 0.00 C ATOM 38 O LEU A 3 169.990 -12.029 7.620 1.00 0.00 O ATOM 39 CB LEU A 3 169.883 -14.917 6.001 1.00 0.00 C ATOM 40 CG LEU A 3 170.398 -15.397 4.640 1.00 0.00 C ATOM 41 CD1 LEU A 3 169.552 -16.554 4.129 1.00 0.00 C ATOM 42 CD2 LEU A 3 170.400 -14.250 3.638 1.00 0.00 C ATOM 0 H LEU A 3 171.589 -16.001 7.428 1.00 0.00 H new ATOM 0 HA LEU A 3 171.467 -13.474 6.170 1.00 0.00 H new ATOM 0 HB2 LEU A 3 169.568 -15.786 6.579 1.00 0.00 H new ATOM 0 HB3 LEU A 3 168.997 -14.303 5.840 1.00 0.00 H new ATOM 0 HG LEU A 3 171.422 -15.749 4.761 1.00 0.00 H new ATOM 0 HD11 LEU A 3 169.931 -16.883 3.161 1.00 0.00 H new ATOM 0 HD12 LEU A 3 169.600 -17.381 4.838 1.00 0.00 H new ATOM 0 HD13 LEU A 3 168.517 -16.228 4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 3 170.768 -14.607 2.676 1.00 0.00 H new ATOM 0 HD22 LEU A 3 169.386 -13.869 3.519 1.00 0.00 H new ATOM 0 HD23 LEU A 3 171.047 -13.451 4.000 1.00 0.00 H new ATOM 54 N LYS A 4 169.690 -13.834 8.939 1.00 0.00 N ATOM 55 CA LYS A 4 168.967 -13.097 9.976 1.00 0.00 C ATOM 56 C LYS A 4 169.886 -12.107 10.691 1.00 0.00 C ATOM 57 O LYS A 4 169.482 -10.982 10.988 1.00 0.00 O ATOM 58 CB LYS A 4 168.349 -14.058 10.997 1.00 0.00 C ATOM 59 CG LYS A 4 167.083 -14.743 10.504 1.00 0.00 C ATOM 60 CD LYS A 4 165.835 -13.974 10.913 1.00 0.00 C ATOM 61 CE LYS A 4 165.225 -14.531 12.193 1.00 0.00 C ATOM 62 NZ LYS A 4 163.825 -14.060 12.400 1.00 0.00 N ATOM 0 H LYS A 4 169.809 -14.828 9.134 1.00 0.00 H new ATOM 0 HA LYS A 4 168.169 -12.540 9.485 1.00 0.00 H new ATOM 0 HB2 LYS A 4 169.085 -14.819 11.258 1.00 0.00 H new ATOM 0 HB3 LYS A 4 168.122 -13.507 11.910 1.00 0.00 H new ATOM 0 HG2 LYS A 4 167.116 -14.833 9.418 1.00 0.00 H new ATOM 0 HG3 LYS A 4 167.036 -15.755 10.906 1.00 0.00 H new ATOM 0 HD2 LYS A 4 166.086 -12.923 11.057 1.00 0.00 H new ATOM 0 HD3 LYS A 4 165.100 -14.019 10.110 1.00 0.00 H new ATOM 0 HE2 LYS A 4 165.239 -15.620 12.156 1.00 0.00 H new ATOM 0 HE3 LYS A 4 165.837 -14.233 13.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 163.450 -14.463 13.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 163.814 -13.022 12.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 163.234 -14.366 11.601 1.00 0.00 H new ATOM 76 N CYS A 5 171.122 -12.532 10.965 1.00 0.00 N ATOM 77 CA CYS A 5 172.094 -11.676 11.645 1.00 0.00 C ATOM 78 C CYS A 5 172.409 -10.433 10.813 1.00 0.00 C ATOM 79 O CYS A 5 172.573 -9.340 11.358 1.00 0.00 O ATOM 80 CB CYS A 5 173.385 -12.446 11.933 1.00 0.00 C ATOM 81 SG CYS A 5 174.091 -12.114 13.564 1.00 0.00 S ATOM 0 H CYS A 5 171.471 -13.460 10.727 1.00 0.00 H new ATOM 0 HA CYS A 5 171.651 -11.360 12.589 1.00 0.00 H new ATOM 0 HB2 CYS A 5 173.186 -13.514 11.845 1.00 0.00 H new ATOM 0 HB3 CYS A 5 174.123 -12.195 11.171 1.00 0.00 H new ATOM 0 HG CYS A 5 175.382 -12.259 13.516 1.00 0.00 H new ATOM 87 N CYS A 6 172.488 -10.608 9.491 1.00 0.00 N ATOM 88 CA CYS A 6 172.778 -9.499 8.582 1.00 0.00 C ATOM 89 C CYS A 6 171.711 -8.409 8.692 1.00 0.00 C ATOM 90 O CYS A 6 172.022 -7.218 8.648 1.00 0.00 O ATOM 91 CB CYS A 6 172.862 -9.998 7.136 1.00 0.00 C ATOM 92 SG CYS A 6 174.516 -10.524 6.629 1.00 0.00 S ATOM 0 H CYS A 6 172.355 -11.507 9.028 1.00 0.00 H new ATOM 0 HA CYS A 6 173.740 -9.075 8.869 1.00 0.00 H new ATOM 0 HB2 CYS A 6 172.173 -10.833 7.011 1.00 0.00 H new ATOM 0 HB3 CYS A 6 172.525 -9.204 6.469 1.00 0.00 H new ATOM 0 HG CYS A 6 174.717 -11.751 7.010 1.00 0.00 H new ATOM 98 N SER A 7 170.452 -8.830 8.840 1.00 0.00 N ATOM 99 CA SER A 7 169.333 -7.896 8.964 1.00 0.00 C ATOM 100 C SER A 7 169.497 -7.004 10.195 1.00 0.00 C ATOM 101 O SER A 7 169.155 -5.821 10.160 1.00 0.00 O ATOM 102 CB SER A 7 168.002 -8.653 9.045 1.00 0.00 C ATOM 103 OG SER A 7 168.011 -9.800 8.211 1.00 0.00 O ATOM 0 H SER A 7 170.183 -9.813 8.877 1.00 0.00 H new ATOM 0 HA SER A 7 169.328 -7.265 8.075 1.00 0.00 H new ATOM 0 HB2 SER A 7 167.813 -8.952 10.076 1.00 0.00 H new ATOM 0 HB3 SER A 7 167.187 -7.992 8.750 1.00 0.00 H new ATOM 0 HG SER A 7 167.151 -10.264 8.284 1.00 0.00 H new ATOM 109 N GLY A 8 170.025 -7.579 11.280 1.00 0.00 N ATOM 110 CA GLY A 8 170.230 -6.824 12.506 1.00 0.00 C ATOM 111 C GLY A 8 171.146 -5.631 12.308 1.00 0.00 C ATOM 112 O GLY A 8 170.927 -4.571 12.897 1.00 0.00 O ATOM 0 H GLY A 8 170.314 -8.556 11.328 1.00 0.00 H new ATOM 0 HA2 GLY A 8 169.267 -6.480 12.882 1.00 0.00 H new ATOM 0 HA3 GLY A 8 170.653 -7.480 13.267 1.00 0.00 H new ATOM 116 N ILE A 9 172.166 -5.797 11.465 1.00 0.00 N ATOM 117 CA ILE A 9 173.108 -4.718 11.180 1.00 0.00 C ATOM 118 C ILE A 9 172.394 -3.560 10.489 1.00 0.00 C ATOM 119 O ILE A 9 172.569 -2.398 10.860 1.00 0.00 O ATOM 120 CB ILE A 9 174.278 -5.199 10.290 1.00 0.00 C ATOM 121 CG1 ILE A 9 174.943 -6.438 10.900 1.00 0.00 C ATOM 122 CG2 ILE A 9 175.298 -4.083 10.101 1.00 0.00 C ATOM 123 CD1 ILE A 9 175.947 -7.101 9.981 1.00 0.00 C ATOM 0 H ILE A 9 172.359 -6.667 10.969 1.00 0.00 H new ATOM 0 HA ILE A 9 173.516 -4.385 12.134 1.00 0.00 H new ATOM 0 HB ILE A 9 173.879 -5.470 9.312 1.00 0.00 H new ATOM 0 HG12 ILE A 9 175.443 -6.153 11.826 1.00 0.00 H new ATOM 0 HG13 ILE A 9 174.172 -7.161 11.164 1.00 0.00 H new ATOM 0 HG21 ILE A 9 176.114 -4.439 9.472 1.00 0.00 H new ATOM 0 HG22 ILE A 9 174.818 -3.229 9.624 1.00 0.00 H new ATOM 0 HG23 ILE A 9 175.692 -3.782 11.072 1.00 0.00 H new ATOM 0 HD11 ILE A 9 176.377 -7.970 10.479 1.00 0.00 H new ATOM 0 HD12 ILE A 9 175.448 -7.417 9.065 1.00 0.00 H new ATOM 0 HD13 ILE A 9 176.739 -6.393 9.737 1.00 0.00 H new ATOM 135 N LEU A 10 171.574 -3.890 9.492 1.00 0.00 N ATOM 136 CA LEU A 10 170.813 -2.887 8.753 1.00 0.00 C ATOM 137 C LEU A 10 169.835 -2.158 9.675 1.00 0.00 C ATOM 138 O LEU A 10 169.584 -0.965 9.504 1.00 0.00 O ATOM 139 CB LEU A 10 170.053 -3.530 7.592 1.00 0.00 C ATOM 140 CG LEU A 10 169.372 -2.543 6.638 1.00 0.00 C ATOM 141 CD1 LEU A 10 170.120 -2.476 5.315 1.00 0.00 C ATOM 142 CD2 LEU A 10 167.916 -2.932 6.418 1.00 0.00 C ATOM 0 H LEU A 10 171.420 -4.848 9.178 1.00 0.00 H new ATOM 0 HA LEU A 10 171.520 -2.162 8.351 1.00 0.00 H new ATOM 0 HB2 LEU A 10 170.747 -4.145 7.019 1.00 0.00 H new ATOM 0 HB3 LEU A 10 169.296 -4.199 8.000 1.00 0.00 H new ATOM 0 HG LEU A 10 169.395 -1.552 7.092 1.00 0.00 H new ATOM 0 HD11 LEU A 10 169.622 -1.770 4.651 1.00 0.00 H new ATOM 0 HD12 LEU A 10 171.144 -2.147 5.492 1.00 0.00 H new ATOM 0 HD13 LEU A 10 170.131 -3.463 4.853 1.00 0.00 H new ATOM 0 HD21 LEU A 10 167.448 -2.220 5.738 1.00 0.00 H new ATOM 0 HD22 LEU A 10 167.868 -3.932 5.986 1.00 0.00 H new ATOM 0 HD23 LEU A 10 167.389 -2.923 7.372 1.00 0.00 H new ATOM 154 N LYS A 11 169.276 -2.889 10.645 1.00 0.00 N ATOM 155 CA LYS A 11 168.315 -2.313 11.585 1.00 0.00 C ATOM 156 C LYS A 11 168.911 -1.125 12.337 1.00 0.00 C ATOM 157 O LYS A 11 168.197 -0.182 12.666 1.00 0.00 O ATOM 158 CB LYS A 11 167.838 -3.373 12.583 1.00 0.00 C ATOM 159 CG LYS A 11 166.481 -3.061 13.200 1.00 0.00 C ATOM 160 CD LYS A 11 166.496 -3.234 14.712 1.00 0.00 C ATOM 161 CE LYS A 11 166.561 -4.703 15.112 1.00 0.00 C ATOM 162 NZ LYS A 11 165.265 -5.405 14.884 1.00 0.00 N ATOM 0 H LYS A 11 169.473 -3.878 10.798 1.00 0.00 H new ATOM 0 HA LYS A 11 167.463 -1.957 11.005 1.00 0.00 H new ATOM 0 HB2 LYS A 11 167.785 -4.338 12.078 1.00 0.00 H new ATOM 0 HB3 LYS A 11 168.576 -3.469 13.379 1.00 0.00 H new ATOM 0 HG2 LYS A 11 166.196 -2.038 12.954 1.00 0.00 H new ATOM 0 HG3 LYS A 11 165.725 -3.716 12.766 1.00 0.00 H new ATOM 0 HD2 LYS A 11 167.352 -2.705 15.130 1.00 0.00 H new ATOM 0 HD3 LYS A 11 165.602 -2.780 15.139 1.00 0.00 H new ATOM 0 HE2 LYS A 11 167.347 -5.199 14.542 1.00 0.00 H new ATOM 0 HE3 LYS A 11 166.834 -4.780 16.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 165.311 -6.360 15.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 164.496 -4.871 15.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 165.083 -5.474 13.862 1.00 0.00 H new ATOM 176 N GLU A 12 170.220 -1.165 12.595 1.00 0.00 N ATOM 177 CA GLU A 12 170.897 -0.071 13.295 1.00 0.00 C ATOM 178 C GLU A 12 170.768 1.237 12.518 1.00 0.00 C ATOM 179 O GLU A 12 170.611 2.304 13.115 1.00 0.00 O ATOM 180 CB GLU A 12 172.374 -0.408 13.516 1.00 0.00 C ATOM 181 CG GLU A 12 172.906 0.030 14.872 1.00 0.00 C ATOM 182 CD GLU A 12 174.381 -0.279 15.050 1.00 0.00 C ATOM 183 OE1 GLU A 12 175.216 0.558 14.651 1.00 0.00 O ATOM 184 OE2 GLU A 12 174.700 -1.358 15.590 1.00 0.00 O ATOM 0 H GLU A 12 170.830 -1.939 12.331 1.00 0.00 H new ATOM 0 HA GLU A 12 170.416 0.056 14.265 1.00 0.00 H new ATOM 0 HB2 GLU A 12 172.511 -1.484 13.412 1.00 0.00 H new ATOM 0 HB3 GLU A 12 172.966 0.066 12.733 1.00 0.00 H new ATOM 0 HG2 GLU A 12 172.747 1.102 14.991 1.00 0.00 H new ATOM 0 HG3 GLU A 12 172.337 -0.466 15.658 1.00 0.00 H new ATOM 191 N MET A 13 170.815 1.150 11.186 1.00 0.00 N ATOM 192 CA MET A 13 170.679 2.333 10.343 1.00 0.00 C ATOM 193 C MET A 13 169.336 3.015 10.604 1.00 0.00 C ATOM 194 O MET A 13 169.244 4.240 10.603 1.00 0.00 O ATOM 195 CB MET A 13 170.799 1.966 8.861 1.00 0.00 C ATOM 196 CG MET A 13 172.233 1.796 8.382 1.00 0.00 C ATOM 197 SD MET A 13 172.472 2.379 6.692 1.00 0.00 S ATOM 198 CE MET A 13 174.259 2.356 6.570 1.00 0.00 C ATOM 0 H MET A 13 170.945 0.277 10.674 1.00 0.00 H new ATOM 0 HA MET A 13 171.485 3.022 10.593 1.00 0.00 H new ATOM 0 HB2 MET A 13 170.254 1.039 8.681 1.00 0.00 H new ATOM 0 HB3 MET A 13 170.317 2.741 8.265 1.00 0.00 H new ATOM 0 HG2 MET A 13 172.902 2.340 9.048 1.00 0.00 H new ATOM 0 HG3 MET A 13 172.510 0.744 8.442 1.00 0.00 H new ATOM 0 HE1 MET A 13 174.612 3.325 6.217 1.00 0.00 H new ATOM 0 HE2 MET A 13 174.688 2.148 7.550 1.00 0.00 H new ATOM 0 HE3 MET A 13 174.566 1.581 5.868 1.00 0.00 H new ATOM 208 N PHE A 14 168.297 2.209 10.839 1.00 0.00 N ATOM 209 CA PHE A 14 166.960 2.735 11.116 1.00 0.00 C ATOM 210 C PHE A 14 166.621 2.663 12.613 1.00 0.00 C ATOM 211 O PHE A 14 165.503 2.990 13.015 1.00 0.00 O ATOM 212 CB PHE A 14 165.910 1.966 10.309 1.00 0.00 C ATOM 213 CG PHE A 14 165.270 2.785 9.225 1.00 0.00 C ATOM 214 CD1 PHE A 14 165.832 2.842 7.960 1.00 0.00 C ATOM 215 CD2 PHE A 14 164.104 3.494 9.470 1.00 0.00 C ATOM 216 CE1 PHE A 14 165.244 3.591 6.959 1.00 0.00 C ATOM 217 CE2 PHE A 14 163.512 4.245 8.473 1.00 0.00 C ATOM 218 CZ PHE A 14 164.082 4.293 7.216 1.00 0.00 C ATOM 0 H PHE A 14 168.357 1.191 10.843 1.00 0.00 H new ATOM 0 HA PHE A 14 166.951 3.784 10.818 1.00 0.00 H new ATOM 0 HB2 PHE A 14 166.377 1.088 9.862 1.00 0.00 H new ATOM 0 HB3 PHE A 14 165.136 1.605 10.986 1.00 0.00 H new ATOM 0 HD1 PHE A 14 166.740 2.295 7.754 1.00 0.00 H new ATOM 0 HD2 PHE A 14 163.654 3.459 10.451 1.00 0.00 H new ATOM 0 HE1 PHE A 14 165.692 3.628 5.977 1.00 0.00 H new ATOM 0 HE2 PHE A 14 162.604 4.794 8.676 1.00 0.00 H new ATOM 0 HZ PHE A 14 163.620 4.879 6.435 1.00 0.00 H new ATOM 228 N ALA A 15 167.588 2.244 13.438 1.00 0.00 N ATOM 229 CA ALA A 15 167.380 2.144 14.883 1.00 0.00 C ATOM 230 C ALA A 15 167.748 3.449 15.596 1.00 0.00 C ATOM 231 O ALA A 15 167.872 3.478 16.823 1.00 0.00 O ATOM 232 CB ALA A 15 168.188 0.987 15.456 1.00 0.00 C ATOM 0 H ALA A 15 168.520 1.970 13.128 1.00 0.00 H new ATOM 0 HA ALA A 15 166.320 1.957 15.052 1.00 0.00 H new ATOM 0 HB1 ALA A 15 168.023 0.925 16.532 1.00 0.00 H new ATOM 0 HB2 ALA A 15 167.873 0.055 14.987 1.00 0.00 H new ATOM 0 HB3 ALA A 15 169.248 1.151 15.260 1.00 0.00 H new ATOM 238 N LYS A 16 167.928 4.519 14.816 1.00 0.00 N ATOM 239 CA LYS A 16 168.287 5.839 15.346 1.00 0.00 C ATOM 240 C LYS A 16 169.775 5.914 15.700 1.00 0.00 C ATOM 241 O LYS A 16 170.185 6.733 16.525 1.00 0.00 O ATOM 242 CB LYS A 16 167.432 6.200 16.570 1.00 0.00 C ATOM 243 CG LYS A 16 165.936 6.014 16.356 1.00 0.00 C ATOM 244 CD LYS A 16 165.345 7.134 15.512 1.00 0.00 C ATOM 245 CE LYS A 16 164.732 8.224 16.380 1.00 0.00 C ATOM 246 NZ LYS A 16 165.350 9.556 16.127 1.00 0.00 N ATOM 0 H LYS A 16 167.829 4.495 13.801 1.00 0.00 H new ATOM 0 HA LYS A 16 168.086 6.566 14.559 1.00 0.00 H new ATOM 0 HB2 LYS A 16 167.747 5.587 17.414 1.00 0.00 H new ATOM 0 HB3 LYS A 16 167.624 7.238 16.841 1.00 0.00 H new ATOM 0 HG2 LYS A 16 165.754 5.056 15.868 1.00 0.00 H new ATOM 0 HG3 LYS A 16 165.432 5.981 17.322 1.00 0.00 H new ATOM 0 HD2 LYS A 16 166.123 7.564 14.881 1.00 0.00 H new ATOM 0 HD3 LYS A 16 164.584 6.727 14.847 1.00 0.00 H new ATOM 0 HE2 LYS A 16 163.660 8.280 16.188 1.00 0.00 H new ATOM 0 HE3 LYS A 16 164.855 7.962 17.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 164.903 10.268 16.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 166.368 9.511 16.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 165.211 9.820 15.131 1.00 0.00 H new ATOM 260 N LYS A 17 170.581 5.065 15.062 1.00 0.00 N ATOM 261 CA LYS A 17 172.022 5.046 15.300 1.00 0.00 C ATOM 262 C LYS A 17 172.786 5.490 14.050 1.00 0.00 C ATOM 263 O LYS A 17 173.842 6.117 14.151 1.00 0.00 O ATOM 264 CB LYS A 17 172.473 3.650 15.737 1.00 0.00 C ATOM 265 CG LYS A 17 171.932 3.239 17.099 1.00 0.00 C ATOM 266 CD LYS A 17 172.331 1.816 17.456 1.00 0.00 C ATOM 267 CE LYS A 17 171.877 1.445 18.860 1.00 0.00 C ATOM 268 NZ LYS A 17 170.441 1.044 18.895 1.00 0.00 N ATOM 0 H LYS A 17 170.259 4.382 14.376 1.00 0.00 H new ATOM 0 HA LYS A 17 172.245 5.750 16.102 1.00 0.00 H new ATOM 0 HB2 LYS A 17 172.151 2.922 14.992 1.00 0.00 H new ATOM 0 HB3 LYS A 17 173.562 3.620 15.763 1.00 0.00 H new ATOM 0 HG2 LYS A 17 172.305 3.924 17.861 1.00 0.00 H new ATOM 0 HG3 LYS A 17 170.845 3.323 17.100 1.00 0.00 H new ATOM 0 HD2 LYS A 17 171.895 1.123 16.736 1.00 0.00 H new ATOM 0 HD3 LYS A 17 173.414 1.711 17.383 1.00 0.00 H new ATOM 0 HE2 LYS A 17 172.491 0.626 19.235 1.00 0.00 H new ATOM 0 HE3 LYS A 17 172.033 2.293 19.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 170.173 0.799 19.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 169.852 1.833 18.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 170.296 0.219 18.278 1.00 0.00 H new ATOM 282 N HIS A 18 172.236 5.174 12.875 1.00 0.00 N ATOM 283 CA HIS A 18 172.849 5.550 11.606 1.00 0.00 C ATOM 284 C HIS A 18 171.793 6.050 10.617 1.00 0.00 C ATOM 285 O HIS A 18 171.981 5.970 9.402 1.00 0.00 O ATOM 286 CB HIS A 18 173.599 4.358 11.008 1.00 0.00 C ATOM 287 CG HIS A 18 175.086 4.477 11.106 1.00 0.00 C ATOM 288 ND1 HIS A 18 175.764 5.663 10.914 1.00 0.00 N ATOM 289 CD2 HIS A 18 176.027 3.548 11.383 1.00 0.00 C ATOM 290 CE1 HIS A 18 177.059 5.457 11.070 1.00 0.00 C ATOM 291 NE2 HIS A 18 177.246 4.181 11.356 1.00 0.00 N ATOM 0 H HIS A 18 171.363 4.656 12.780 1.00 0.00 H new ATOM 0 HA HIS A 18 173.555 6.359 11.796 1.00 0.00 H new ATOM 0 HB2 HIS A 18 173.281 3.447 11.516 1.00 0.00 H new ATOM 0 HB3 HIS A 18 173.320 4.252 9.960 1.00 0.00 H new ATOM 0 HD2 HIS A 18 175.853 2.502 11.588 1.00 0.00 H new ATOM 0 HE1 HIS A 18 177.833 6.204 10.979 1.00 0.00 H new ATOM 0 HE2 HIS A 18 178.148 3.738 11.529 1.00 0.00 H new ATOM 300 N ALA A 19 170.683 6.566 11.145 1.00 0.00 N ATOM 301 CA ALA A 19 169.599 7.074 10.309 1.00 0.00 C ATOM 302 C ALA A 19 169.890 8.487 9.830 1.00 0.00 C ATOM 303 O ALA A 19 169.619 8.824 8.683 1.00 0.00 O ATOM 304 CB ALA A 19 168.280 7.039 11.065 1.00 0.00 C ATOM 0 H ALA A 19 170.512 6.643 12.148 1.00 0.00 H new ATOM 0 HA ALA A 19 169.522 6.427 9.435 1.00 0.00 H new ATOM 0 HB1 ALA A 19 167.484 7.421 10.426 1.00 0.00 H new ATOM 0 HB2 ALA A 19 168.053 6.013 11.353 1.00 0.00 H new ATOM 0 HB3 ALA A 19 168.356 7.658 11.959 1.00 0.00 H new ATOM 310 N ALA A 20 170.446 9.311 10.715 1.00 0.00 N ATOM 311 CA ALA A 20 170.771 10.695 10.371 1.00 0.00 C ATOM 312 C ALA A 20 171.889 10.759 9.333 1.00 0.00 C ATOM 313 O ALA A 20 171.885 11.626 8.458 1.00 0.00 O ATOM 314 CB ALA A 20 171.161 11.478 11.616 1.00 0.00 C ATOM 0 H ALA A 20 170.680 9.047 11.672 1.00 0.00 H new ATOM 0 HA ALA A 20 169.880 11.148 9.937 1.00 0.00 H new ATOM 0 HB1 ALA A 20 171.399 12.505 11.340 1.00 0.00 H new ATOM 0 HB2 ALA A 20 170.331 11.475 12.322 1.00 0.00 H new ATOM 0 HB3 ALA A 20 172.033 11.015 12.079 1.00 0.00 H new ATOM 320 N TYR A 21 172.845 9.838 9.437 1.00 0.00 N ATOM 321 CA TYR A 21 173.967 9.790 8.510 1.00 0.00 C ATOM 322 C TYR A 21 173.561 9.166 7.175 1.00 0.00 C ATOM 323 O TYR A 21 174.076 9.551 6.125 1.00 0.00 O ATOM 324 CB TYR A 21 175.123 9.006 9.130 1.00 0.00 C ATOM 325 CG TYR A 21 175.902 9.797 10.158 1.00 0.00 C ATOM 326 CD1 TYR A 21 175.435 9.931 11.460 1.00 0.00 C ATOM 327 CD2 TYR A 21 177.101 10.414 9.824 1.00 0.00 C ATOM 328 CE1 TYR A 21 176.141 10.656 12.400 1.00 0.00 C ATOM 329 CE2 TYR A 21 177.813 11.141 10.759 1.00 0.00 C ATOM 330 CZ TYR A 21 177.330 11.259 12.045 1.00 0.00 C ATOM 331 OH TYR A 21 178.041 11.983 12.978 1.00 0.00 O ATOM 0 H TYR A 21 172.862 9.115 10.156 1.00 0.00 H new ATOM 0 HA TYR A 21 174.289 10.813 8.315 1.00 0.00 H new ATOM 0 HB2 TYR A 21 174.730 8.103 9.598 1.00 0.00 H new ATOM 0 HB3 TYR A 21 175.801 8.686 8.339 1.00 0.00 H new ATOM 0 HD1 TYR A 21 174.505 9.460 11.742 1.00 0.00 H new ATOM 0 HD2 TYR A 21 177.483 10.324 8.818 1.00 0.00 H new ATOM 0 HE1 TYR A 21 175.764 10.750 13.408 1.00 0.00 H new ATOM 0 HE2 TYR A 21 178.744 11.615 10.484 1.00 0.00 H new ATOM 0 HH TYR A 21 178.855 12.340 12.564 1.00 0.00 H new ATOM 341 N ALA A 22 172.637 8.204 7.219 1.00 0.00 N ATOM 342 CA ALA A 22 172.170 7.535 6.004 1.00 0.00 C ATOM 343 C ALA A 22 170.710 7.877 5.689 1.00 0.00 C ATOM 344 O ALA A 22 170.013 7.098 5.037 1.00 0.00 O ATOM 345 CB ALA A 22 172.341 6.026 6.135 1.00 0.00 C ATOM 0 H ALA A 22 172.199 7.872 8.079 1.00 0.00 H new ATOM 0 HA ALA A 22 172.779 7.896 5.175 1.00 0.00 H new ATOM 0 HB1 ALA A 22 171.990 5.540 5.225 1.00 0.00 H new ATOM 0 HB2 ALA A 22 173.394 5.791 6.289 1.00 0.00 H new ATOM 0 HB3 ALA A 22 171.761 5.667 6.985 1.00 0.00 H new ATOM 351 N TRP A 23 170.250 9.041 6.148 1.00 0.00 N ATOM 352 CA TRP A 23 168.872 9.467 5.905 1.00 0.00 C ATOM 353 C TRP A 23 168.655 9.799 4.428 1.00 0.00 C ATOM 354 O TRP A 23 167.774 9.226 3.785 1.00 0.00 O ATOM 355 CB TRP A 23 168.514 10.677 6.776 1.00 0.00 C ATOM 356 CG TRP A 23 167.197 10.538 7.480 1.00 0.00 C ATOM 357 CD1 TRP A 23 167.001 10.270 8.804 1.00 0.00 C ATOM 358 CD2 TRP A 23 165.892 10.662 6.899 1.00 0.00 C ATOM 359 NE1 TRP A 23 165.657 10.223 9.083 1.00 0.00 N ATOM 360 CE2 TRP A 23 164.956 10.461 7.930 1.00 0.00 C ATOM 361 CE3 TRP A 23 165.424 10.926 5.607 1.00 0.00 C ATOM 362 CZ2 TRP A 23 163.582 10.515 7.711 1.00 0.00 C ATOM 363 CZ3 TRP A 23 164.059 10.979 5.391 1.00 0.00 C ATOM 364 CH2 TRP A 23 163.152 10.776 6.439 1.00 0.00 C ATOM 0 H TRP A 23 170.808 9.703 6.687 1.00 0.00 H new ATOM 0 HA TRP A 23 168.216 8.639 6.173 1.00 0.00 H new ATOM 0 HB2 TRP A 23 169.299 10.826 7.517 1.00 0.00 H new ATOM 0 HB3 TRP A 23 168.491 11.570 6.152 1.00 0.00 H new ATOM 0 HD1 TRP A 23 167.788 10.117 9.527 1.00 0.00 H new ATOM 0 HE1 TRP A 23 165.247 10.041 9.999 1.00 0.00 H new ATOM 0 HE3 TRP A 23 166.116 11.085 4.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 162.881 10.356 8.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 163.686 11.180 4.398 1.00 0.00 H new ATOM 0 HH2 TRP A 23 162.092 10.827 6.239 1.00 0.00 H new ATOM 375 N PRO A 24 169.454 10.731 3.867 1.00 0.00 N ATOM 376 CA PRO A 24 169.334 11.127 2.462 1.00 0.00 C ATOM 377 C PRO A 24 170.043 10.164 1.507 1.00 0.00 C ATOM 378 O PRO A 24 169.707 10.099 0.323 1.00 0.00 O ATOM 379 CB PRO A 24 170.008 12.495 2.440 1.00 0.00 C ATOM 380 CG PRO A 24 171.059 12.414 3.495 1.00 0.00 C ATOM 381 CD PRO A 24 170.534 11.476 4.554 1.00 0.00 C ATOM 0 HA PRO A 24 168.297 11.130 2.125 1.00 0.00 H new ATOM 0 HB2 PRO A 24 170.443 12.707 1.463 1.00 0.00 H new ATOM 0 HB3 PRO A 24 169.295 13.292 2.651 1.00 0.00 H new ATOM 0 HG2 PRO A 24 171.997 12.044 3.080 1.00 0.00 H new ATOM 0 HG3 PRO A 24 171.263 13.399 3.916 1.00 0.00 H new ATOM 0 HD2 PRO A 24 171.314 10.806 4.916 1.00 0.00 H new ATOM 0 HD3 PRO A 24 170.156 12.021 5.419 1.00 0.00 H new ATOM 389 N PHE A 25 171.025 9.421 2.023 1.00 0.00 N ATOM 390 CA PHE A 25 171.778 8.470 1.208 1.00 0.00 C ATOM 391 C PHE A 25 171.246 7.041 1.373 1.00 0.00 C ATOM 392 O PHE A 25 172.014 6.077 1.341 1.00 0.00 O ATOM 393 CB PHE A 25 173.268 8.533 1.571 1.00 0.00 C ATOM 394 CG PHE A 25 174.153 8.960 0.430 1.00 0.00 C ATOM 395 CD1 PHE A 25 173.791 10.014 -0.396 1.00 0.00 C ATOM 396 CD2 PHE A 25 175.350 8.305 0.186 1.00 0.00 C ATOM 397 CE1 PHE A 25 174.604 10.404 -1.443 1.00 0.00 C ATOM 398 CE2 PHE A 25 176.166 8.692 -0.859 1.00 0.00 C ATOM 399 CZ PHE A 25 175.793 9.741 -1.675 1.00 0.00 C ATOM 0 H PHE A 25 171.316 9.461 3.000 1.00 0.00 H new ATOM 0 HA PHE A 25 171.652 8.748 0.162 1.00 0.00 H new ATOM 0 HB2 PHE A 25 173.401 9.226 2.401 1.00 0.00 H new ATOM 0 HB3 PHE A 25 173.589 7.552 1.920 1.00 0.00 H new ATOM 0 HD1 PHE A 25 172.862 10.536 -0.219 1.00 0.00 H new ATOM 0 HD2 PHE A 25 175.648 7.483 0.820 1.00 0.00 H new ATOM 0 HE1 PHE A 25 174.310 11.226 -2.079 1.00 0.00 H new ATOM 0 HE2 PHE A 25 177.096 8.174 -1.038 1.00 0.00 H new ATOM 0 HZ PHE A 25 176.430 10.043 -2.493 1.00 0.00 H new ATOM 409 N TYR A 26 169.927 6.909 1.535 1.00 0.00 N ATOM 410 CA TYR A 26 169.298 5.597 1.687 1.00 0.00 C ATOM 411 C TYR A 26 168.541 5.206 0.416 1.00 0.00 C ATOM 412 O TYR A 26 168.547 4.040 0.018 1.00 0.00 O ATOM 413 CB TYR A 26 168.342 5.590 2.885 1.00 0.00 C ATOM 414 CG TYR A 26 168.468 4.362 3.765 1.00 0.00 C ATOM 415 CD1 TYR A 26 168.559 3.088 3.213 1.00 0.00 C ATOM 416 CD2 TYR A 26 168.492 4.477 5.150 1.00 0.00 C ATOM 417 CE1 TYR A 26 168.670 1.968 4.015 1.00 0.00 C ATOM 418 CE2 TYR A 26 168.604 3.362 5.958 1.00 0.00 C ATOM 419 CZ TYR A 26 168.692 2.110 5.387 1.00 0.00 C ATOM 420 OH TYR A 26 168.801 0.997 6.189 1.00 0.00 O ATOM 0 H TYR A 26 169.276 7.694 1.564 1.00 0.00 H new ATOM 0 HA TYR A 26 170.088 4.867 1.862 1.00 0.00 H new ATOM 0 HB2 TYR A 26 168.526 6.478 3.489 1.00 0.00 H new ATOM 0 HB3 TYR A 26 167.317 5.660 2.520 1.00 0.00 H new ATOM 0 HD1 TYR A 26 168.543 2.972 2.139 1.00 0.00 H new ATOM 0 HD2 TYR A 26 168.422 5.455 5.602 1.00 0.00 H new ATOM 0 HE1 TYR A 26 168.739 0.986 3.570 1.00 0.00 H new ATOM 0 HE2 TYR A 26 168.623 3.471 7.032 1.00 0.00 H new ATOM 0 HH TYR A 26 169.308 0.303 5.718 1.00 0.00 H new ATOM 430 N LYS A 27 167.888 6.186 -0.213 1.00 0.00 N ATOM 431 CA LYS A 27 167.124 5.944 -1.437 1.00 0.00 C ATOM 432 C LYS A 27 168.048 5.756 -2.643 1.00 0.00 C ATOM 433 O LYS A 27 169.186 6.228 -2.643 1.00 0.00 O ATOM 434 CB LYS A 27 166.158 7.105 -1.699 1.00 0.00 C ATOM 435 CG LYS A 27 165.049 7.230 -0.663 1.00 0.00 C ATOM 436 CD LYS A 27 164.237 5.949 -0.551 1.00 0.00 C ATOM 437 CE LYS A 27 162.849 6.214 0.015 1.00 0.00 C ATOM 438 NZ LYS A 27 161.805 5.376 -0.641 1.00 0.00 N ATOM 0 H LYS A 27 167.874 7.155 0.106 1.00 0.00 H new ATOM 0 HA LYS A 27 166.555 5.025 -1.297 1.00 0.00 H new ATOM 0 HB2 LYS A 27 166.724 8.036 -1.726 1.00 0.00 H new ATOM 0 HB3 LYS A 27 165.709 6.976 -2.684 1.00 0.00 H new ATOM 0 HG2 LYS A 27 165.483 7.472 0.307 1.00 0.00 H new ATOM 0 HG3 LYS A 27 164.391 8.056 -0.932 1.00 0.00 H new ATOM 0 HD2 LYS A 27 164.148 5.487 -1.534 1.00 0.00 H new ATOM 0 HD3 LYS A 27 164.762 5.239 0.088 1.00 0.00 H new ATOM 0 HE2 LYS A 27 162.851 6.016 1.087 1.00 0.00 H new ATOM 0 HE3 LYS A 27 162.601 7.268 -0.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 160.876 5.589 -0.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 161.783 5.583 -1.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 162.026 4.370 -0.497 1.00 0.00 H new ATOM 452 N PRO A 28 167.561 5.060 -3.693 1.00 0.00 N ATOM 453 CA PRO A 28 168.340 4.807 -4.915 1.00 0.00 C ATOM 454 C PRO A 28 168.523 6.065 -5.770 1.00 0.00 C ATOM 455 O PRO A 28 168.169 7.168 -5.350 1.00 0.00 O ATOM 456 CB PRO A 28 167.496 3.770 -5.660 1.00 0.00 C ATOM 457 CG PRO A 28 166.102 4.015 -5.199 1.00 0.00 C ATOM 458 CD PRO A 28 166.210 4.465 -3.769 1.00 0.00 C ATOM 0 HA PRO A 28 169.353 4.474 -4.689 1.00 0.00 H new ATOM 0 HB2 PRO A 28 167.583 3.891 -6.740 1.00 0.00 H new ATOM 0 HB3 PRO A 28 167.818 2.755 -5.426 1.00 0.00 H new ATOM 0 HG2 PRO A 28 165.617 4.775 -5.811 1.00 0.00 H new ATOM 0 HG3 PRO A 28 165.500 3.110 -5.278 1.00 0.00 H new ATOM 0 HD2 PRO A 28 165.437 5.192 -3.518 1.00 0.00 H new ATOM 0 HD3 PRO A 28 166.100 3.630 -3.077 1.00 0.00 H new ATOM 466 N VAL A 29 169.080 5.889 -6.970 1.00 0.00 N ATOM 467 CA VAL A 29 169.311 7.008 -7.881 1.00 0.00 C ATOM 468 C VAL A 29 168.574 6.815 -9.210 1.00 0.00 C ATOM 469 O VAL A 29 169.192 6.611 -10.258 1.00 0.00 O ATOM 470 CB VAL A 29 170.818 7.215 -8.145 1.00 0.00 C ATOM 471 CG1 VAL A 29 171.528 7.636 -6.866 1.00 0.00 C ATOM 472 CG2 VAL A 29 171.450 5.956 -8.727 1.00 0.00 C ATOM 0 H VAL A 29 169.378 4.983 -7.332 1.00 0.00 H new ATOM 0 HA VAL A 29 168.915 7.899 -7.393 1.00 0.00 H new ATOM 0 HB VAL A 29 170.929 8.013 -8.880 1.00 0.00 H new ATOM 0 HG11 VAL A 29 172.590 7.778 -7.069 1.00 0.00 H new ATOM 0 HG12 VAL A 29 171.100 8.570 -6.503 1.00 0.00 H new ATOM 0 HG13 VAL A 29 171.404 6.862 -6.109 1.00 0.00 H new ATOM 0 HG21 VAL A 29 172.512 6.130 -8.903 1.00 0.00 H new ATOM 0 HG22 VAL A 29 171.329 5.131 -8.026 1.00 0.00 H new ATOM 0 HG23 VAL A 29 170.962 5.706 -9.669 1.00 0.00 H new ATOM 482 N ASP A 30 167.244 6.889 -9.154 1.00 0.00 N ATOM 483 CA ASP A 30 166.407 6.731 -10.344 1.00 0.00 C ATOM 484 C ASP A 30 166.688 7.836 -11.361 1.00 0.00 C ATOM 485 O ASP A 30 166.322 8.992 -11.148 1.00 0.00 O ATOM 486 CB ASP A 30 164.925 6.752 -9.956 1.00 0.00 C ATOM 487 CG ASP A 30 164.514 5.540 -9.143 1.00 0.00 C ATOM 488 OD1 ASP A 30 164.971 5.417 -7.988 1.00 0.00 O ATOM 489 OD2 ASP A 30 163.730 4.717 -9.660 1.00 0.00 O ATOM 0 H ASP A 30 166.722 7.058 -8.294 1.00 0.00 H new ATOM 0 HA ASP A 30 166.647 5.770 -10.800 1.00 0.00 H new ATOM 0 HB2 ASP A 30 164.717 7.656 -9.383 1.00 0.00 H new ATOM 0 HB3 ASP A 30 164.318 6.800 -10.860 1.00 0.00 H new ATOM 494 N VAL A 31 167.340 7.476 -12.466 1.00 0.00 N ATOM 495 CA VAL A 31 167.667 8.446 -13.510 1.00 0.00 C ATOM 496 C VAL A 31 166.405 9.082 -14.102 1.00 0.00 C ATOM 497 O VAL A 31 166.377 10.285 -14.360 1.00 0.00 O ATOM 498 CB VAL A 31 168.510 7.809 -14.640 1.00 0.00 C ATOM 499 CG1 VAL A 31 167.758 6.671 -15.317 1.00 0.00 C ATOM 500 CG2 VAL A 31 168.928 8.860 -15.659 1.00 0.00 C ATOM 0 H VAL A 31 167.651 6.524 -12.661 1.00 0.00 H new ATOM 0 HA VAL A 31 168.261 9.226 -13.034 1.00 0.00 H new ATOM 0 HB VAL A 31 169.410 7.391 -14.188 1.00 0.00 H new ATOM 0 HG11 VAL A 31 168.377 6.244 -16.106 1.00 0.00 H new ATOM 0 HG12 VAL A 31 167.525 5.901 -14.582 1.00 0.00 H new ATOM 0 HG13 VAL A 31 166.832 7.052 -15.748 1.00 0.00 H new ATOM 0 HG21 VAL A 31 169.520 8.390 -16.445 1.00 0.00 H new ATOM 0 HG22 VAL A 31 168.040 9.316 -16.097 1.00 0.00 H new ATOM 0 HG23 VAL A 31 169.524 9.628 -15.166 1.00 0.00 H new ATOM 510 N GLU A 32 165.365 8.272 -14.314 1.00 0.00 N ATOM 511 CA GLU A 32 164.106 8.769 -14.873 1.00 0.00 C ATOM 512 C GLU A 32 163.335 9.617 -13.859 1.00 0.00 C ATOM 513 O GLU A 32 162.818 10.682 -14.200 1.00 0.00 O ATOM 514 CB GLU A 32 163.235 7.603 -15.349 1.00 0.00 C ATOM 515 CG GLU A 32 163.535 7.168 -16.775 1.00 0.00 C ATOM 516 CD GLU A 32 163.547 5.660 -16.935 1.00 0.00 C ATOM 517 OE1 GLU A 32 162.457 5.070 -17.082 1.00 0.00 O ATOM 518 OE2 GLU A 32 164.648 5.071 -16.912 1.00 0.00 O ATOM 0 H GLU A 32 165.370 7.273 -14.108 1.00 0.00 H new ATOM 0 HA GLU A 32 164.353 9.403 -15.724 1.00 0.00 H new ATOM 0 HB2 GLU A 32 163.380 6.755 -14.680 1.00 0.00 H new ATOM 0 HB3 GLU A 32 162.186 7.890 -15.278 1.00 0.00 H new ATOM 0 HG2 GLU A 32 162.789 7.595 -17.446 1.00 0.00 H new ATOM 0 HG3 GLU A 32 164.502 7.569 -17.077 1.00 0.00 H new ATOM 525 N ALA A 33 163.250 9.134 -12.617 1.00 0.00 N ATOM 526 CA ALA A 33 162.527 9.846 -11.563 1.00 0.00 C ATOM 527 C ALA A 33 163.267 11.105 -11.110 1.00 0.00 C ATOM 528 O ALA A 33 162.671 12.178 -11.012 1.00 0.00 O ATOM 529 CB ALA A 33 162.278 8.927 -10.373 1.00 0.00 C ATOM 0 H ALA A 33 163.672 8.255 -12.318 1.00 0.00 H new ATOM 0 HA ALA A 33 161.570 10.159 -11.982 1.00 0.00 H new ATOM 0 HB1 ALA A 33 161.739 9.473 -9.598 1.00 0.00 H new ATOM 0 HB2 ALA A 33 161.685 8.070 -10.693 1.00 0.00 H new ATOM 0 HB3 ALA A 33 163.232 8.580 -9.976 1.00 0.00 H new ATOM 535 N LEU A 34 164.561 10.969 -10.826 1.00 0.00 N ATOM 536 CA LEU A 34 165.370 12.101 -10.372 1.00 0.00 C ATOM 537 C LEU A 34 165.835 12.978 -11.536 1.00 0.00 C ATOM 538 O LEU A 34 166.168 14.148 -11.339 1.00 0.00 O ATOM 539 CB LEU A 34 166.589 11.605 -9.593 1.00 0.00 C ATOM 540 CG LEU A 34 166.274 10.787 -8.339 1.00 0.00 C ATOM 541 CD1 LEU A 34 167.483 9.958 -7.930 1.00 0.00 C ATOM 542 CD2 LEU A 34 165.838 11.701 -7.203 1.00 0.00 C ATOM 0 H LEU A 34 165.072 10.089 -10.902 1.00 0.00 H new ATOM 0 HA LEU A 34 164.737 12.707 -9.723 1.00 0.00 H new ATOM 0 HB2 LEU A 34 167.203 10.998 -10.258 1.00 0.00 H new ATOM 0 HB3 LEU A 34 167.190 12.467 -9.303 1.00 0.00 H new ATOM 0 HG LEU A 34 165.452 10.107 -8.564 1.00 0.00 H new ATOM 0 HD11 LEU A 34 167.243 9.382 -7.036 1.00 0.00 H new ATOM 0 HD12 LEU A 34 167.749 9.278 -8.740 1.00 0.00 H new ATOM 0 HD13 LEU A 34 168.324 10.619 -7.721 1.00 0.00 H new ATOM 0 HD21 LEU A 34 165.618 11.103 -6.319 1.00 0.00 H new ATOM 0 HD22 LEU A 34 166.638 12.405 -6.975 1.00 0.00 H new ATOM 0 HD23 LEU A 34 164.945 12.251 -7.501 1.00 0.00 H new ATOM 554 N GLY A 35 165.858 12.413 -12.744 1.00 0.00 N ATOM 555 CA GLY A 35 166.288 13.167 -13.911 1.00 0.00 C ATOM 556 C GLY A 35 167.783 13.431 -13.912 1.00 0.00 C ATOM 557 O GLY A 35 168.211 14.584 -13.882 1.00 0.00 O ATOM 0 H GLY A 35 165.587 11.448 -12.934 1.00 0.00 H new ATOM 0 HA2 GLY A 35 166.018 12.619 -14.814 1.00 0.00 H new ATOM 0 HA3 GLY A 35 165.754 14.117 -13.943 1.00 0.00 H new ATOM 561 N LEU A 36 168.576 12.360 -13.945 1.00 0.00 N ATOM 562 CA LEU A 36 170.033 12.485 -13.947 1.00 0.00 C ATOM 563 C LEU A 36 170.665 11.585 -15.010 1.00 0.00 C ATOM 564 O LEU A 36 171.191 10.514 -14.702 1.00 0.00 O ATOM 565 CB LEU A 36 170.610 12.158 -12.559 1.00 0.00 C ATOM 566 CG LEU A 36 169.895 11.043 -11.783 1.00 0.00 C ATOM 567 CD1 LEU A 36 170.568 9.700 -12.025 1.00 0.00 C ATOM 568 CD2 LEU A 36 169.869 11.363 -10.293 1.00 0.00 C ATOM 0 H LEU A 36 168.235 11.399 -13.971 1.00 0.00 H new ATOM 0 HA LEU A 36 170.276 13.519 -14.190 1.00 0.00 H new ATOM 0 HB2 LEU A 36 171.657 11.878 -12.678 1.00 0.00 H new ATOM 0 HB3 LEU A 36 170.590 13.065 -11.955 1.00 0.00 H new ATOM 0 HG LEU A 36 168.868 10.981 -12.144 1.00 0.00 H new ATOM 0 HD11 LEU A 36 170.045 8.925 -11.465 1.00 0.00 H new ATOM 0 HD12 LEU A 36 170.537 9.464 -13.089 1.00 0.00 H new ATOM 0 HD13 LEU A 36 171.606 9.748 -11.695 1.00 0.00 H new ATOM 0 HD21 LEU A 36 169.359 10.562 -9.758 1.00 0.00 H new ATOM 0 HD22 LEU A 36 170.890 11.454 -9.922 1.00 0.00 H new ATOM 0 HD23 LEU A 36 169.340 12.302 -10.132 1.00 0.00 H new ATOM 580 N HIS A 37 170.620 12.032 -16.267 1.00 0.00 N ATOM 581 CA HIS A 37 171.197 11.265 -17.373 1.00 0.00 C ATOM 582 C HIS A 37 172.731 11.254 -17.322 1.00 0.00 C ATOM 583 O HIS A 37 173.372 10.535 -18.090 1.00 0.00 O ATOM 584 CB HIS A 37 170.728 11.821 -18.723 1.00 0.00 C ATOM 585 CG HIS A 37 170.334 10.757 -19.704 1.00 0.00 C ATOM 586 ND1 HIS A 37 170.717 10.776 -21.030 1.00 0.00 N ATOM 587 CD2 HIS A 37 169.588 9.638 -19.546 1.00 0.00 C ATOM 588 CE1 HIS A 37 170.220 9.715 -21.644 1.00 0.00 C ATOM 589 NE2 HIS A 37 169.534 9.009 -20.766 1.00 0.00 N ATOM 0 H HIS A 37 170.193 12.916 -16.543 1.00 0.00 H new ATOM 0 HA HIS A 37 170.847 10.238 -17.266 1.00 0.00 H new ATOM 0 HB2 HIS A 37 169.879 12.485 -18.558 1.00 0.00 H new ATOM 0 HB3 HIS A 37 171.526 12.425 -19.155 1.00 0.00 H new ATOM 0 HD2 HIS A 37 169.122 9.303 -18.631 1.00 0.00 H new ATOM 0 HE1 HIS A 37 170.353 9.469 -22.687 1.00 0.00 H new ATOM 0 HE2 HIS A 37 169.043 8.137 -20.961 1.00 0.00 H new ATOM 598 N ASP A 38 173.319 12.044 -16.414 1.00 0.00 N ATOM 599 CA ASP A 38 174.773 12.103 -16.279 1.00 0.00 C ATOM 600 C ASP A 38 175.314 10.869 -15.554 1.00 0.00 C ATOM 601 O ASP A 38 176.497 10.548 -15.667 1.00 0.00 O ATOM 602 CB ASP A 38 175.189 13.368 -15.521 1.00 0.00 C ATOM 603 CG ASP A 38 175.435 14.545 -16.445 1.00 0.00 C ATOM 604 OD1 ASP A 38 174.474 14.992 -17.107 1.00 0.00 O ATOM 605 OD2 ASP A 38 176.588 15.023 -16.504 1.00 0.00 O ATOM 0 H ASP A 38 172.810 12.646 -15.767 1.00 0.00 H new ATOM 0 HA ASP A 38 175.197 12.127 -17.283 1.00 0.00 H new ATOM 0 HB2 ASP A 38 174.411 13.630 -14.804 1.00 0.00 H new ATOM 0 HB3 ASP A 38 176.094 13.164 -14.949 1.00 0.00 H new ATOM 610 N TYR A 39 174.442 10.176 -14.818 1.00 0.00 N ATOM 611 CA TYR A 39 174.838 8.975 -14.087 1.00 0.00 C ATOM 612 C TYR A 39 175.374 7.910 -15.041 1.00 0.00 C ATOM 613 O TYR A 39 176.403 7.290 -14.772 1.00 0.00 O ATOM 614 CB TYR A 39 173.650 8.416 -13.300 1.00 0.00 C ATOM 615 CG TYR A 39 173.884 8.344 -11.808 1.00 0.00 C ATOM 616 CD1 TYR A 39 174.061 9.498 -11.055 1.00 0.00 C ATOM 617 CD2 TYR A 39 173.925 7.120 -11.152 1.00 0.00 C ATOM 618 CE1 TYR A 39 174.273 9.434 -9.691 1.00 0.00 C ATOM 619 CE2 TYR A 39 174.136 7.048 -9.789 1.00 0.00 C ATOM 620 CZ TYR A 39 174.309 8.207 -9.063 1.00 0.00 C ATOM 621 OH TYR A 39 174.521 8.140 -7.705 1.00 0.00 O ATOM 0 H TYR A 39 173.459 10.427 -14.714 1.00 0.00 H new ATOM 0 HA TYR A 39 175.631 9.249 -13.391 1.00 0.00 H new ATOM 0 HB2 TYR A 39 172.775 9.037 -13.491 1.00 0.00 H new ATOM 0 HB3 TYR A 39 173.419 7.417 -13.670 1.00 0.00 H new ATOM 0 HD1 TYR A 39 174.032 10.461 -11.544 1.00 0.00 H new ATOM 0 HD2 TYR A 39 173.790 6.210 -11.717 1.00 0.00 H new ATOM 0 HE1 TYR A 39 174.410 10.340 -9.120 1.00 0.00 H new ATOM 0 HE2 TYR A 39 174.165 6.088 -9.294 1.00 0.00 H new ATOM 0 HH TYR A 39 174.453 7.208 -7.409 1.00 0.00 H new ATOM 631 N CYS A 40 174.670 7.709 -16.159 1.00 0.00 N ATOM 632 CA CYS A 40 175.074 6.721 -17.162 1.00 0.00 C ATOM 633 C CYS A 40 176.448 7.057 -17.736 1.00 0.00 C ATOM 634 O CYS A 40 177.267 6.164 -17.965 1.00 0.00 O ATOM 635 CB CYS A 40 174.042 6.653 -18.293 1.00 0.00 C ATOM 636 SG CYS A 40 174.270 5.256 -19.418 1.00 0.00 S ATOM 0 H CYS A 40 173.817 8.218 -16.392 1.00 0.00 H new ATOM 0 HA CYS A 40 175.130 5.749 -16.671 1.00 0.00 H new ATOM 0 HB2 CYS A 40 173.045 6.596 -17.857 1.00 0.00 H new ATOM 0 HB3 CYS A 40 174.086 7.579 -18.867 1.00 0.00 H new ATOM 0 HG CYS A 40 173.350 5.284 -20.336 1.00 0.00 H new ATOM 642 N ASP A 41 176.697 8.350 -17.958 1.00 0.00 N ATOM 643 CA ASP A 41 177.976 8.804 -18.497 1.00 0.00 C ATOM 644 C ASP A 41 179.113 8.494 -17.525 1.00 0.00 C ATOM 645 O ASP A 41 180.226 8.173 -17.942 1.00 0.00 O ATOM 646 CB ASP A 41 177.938 10.310 -18.792 1.00 0.00 C ATOM 647 CG ASP A 41 178.392 10.648 -20.204 1.00 0.00 C ATOM 648 OD1 ASP A 41 179.212 9.892 -20.770 1.00 0.00 O ATOM 649 OD2 ASP A 41 177.931 11.677 -20.741 1.00 0.00 O ATOM 0 H ASP A 41 176.029 9.098 -17.772 1.00 0.00 H new ATOM 0 HA ASP A 41 178.155 8.268 -19.429 1.00 0.00 H new ATOM 0 HB2 ASP A 41 176.923 10.679 -18.644 1.00 0.00 H new ATOM 0 HB3 ASP A 41 178.574 10.831 -18.077 1.00 0.00 H new ATOM 654 N ILE A 42 178.820 8.590 -16.228 1.00 0.00 N ATOM 655 CA ILE A 42 179.812 8.317 -15.192 1.00 0.00 C ATOM 656 C ILE A 42 179.958 6.812 -14.949 1.00 0.00 C ATOM 657 O ILE A 42 181.073 6.287 -14.930 1.00 0.00 O ATOM 658 CB ILE A 42 179.449 9.013 -13.861 1.00 0.00 C ATOM 659 CG1 ILE A 42 179.189 10.504 -14.089 1.00 0.00 C ATOM 660 CG2 ILE A 42 180.561 8.819 -12.837 1.00 0.00 C ATOM 661 CD1 ILE A 42 178.283 11.126 -13.049 1.00 0.00 C ATOM 0 H ILE A 42 177.902 8.855 -15.871 1.00 0.00 H new ATOM 0 HA ILE A 42 180.760 8.717 -15.551 1.00 0.00 H new ATOM 0 HB ILE A 42 178.538 8.558 -13.473 1.00 0.00 H new ATOM 0 HG12 ILE A 42 180.141 11.034 -14.093 1.00 0.00 H new ATOM 0 HG13 ILE A 42 178.744 10.640 -15.075 1.00 0.00 H new ATOM 0 HG21 ILE A 42 180.289 9.316 -11.906 1.00 0.00 H new ATOM 0 HG22 ILE A 42 180.704 7.754 -12.652 1.00 0.00 H new ATOM 0 HG23 ILE A 42 181.487 9.248 -13.220 1.00 0.00 H new ATOM 0 HD11 ILE A 42 178.143 12.183 -13.274 1.00 0.00 H new ATOM 0 HD12 ILE A 42 177.317 10.622 -13.060 1.00 0.00 H new ATOM 0 HD13 ILE A 42 178.736 11.022 -12.063 1.00 0.00 H new ATOM 673 N ILE A 43 178.828 6.126 -14.761 1.00 0.00 N ATOM 674 CA ILE A 43 178.829 4.683 -14.517 1.00 0.00 C ATOM 675 C ILE A 43 177.577 4.025 -15.100 1.00 0.00 C ATOM 676 O ILE A 43 176.461 4.507 -14.898 1.00 0.00 O ATOM 677 CB ILE A 43 178.909 4.356 -13.006 1.00 0.00 C ATOM 678 CG1 ILE A 43 180.045 5.143 -12.342 1.00 0.00 C ATOM 679 CG2 ILE A 43 179.101 2.860 -12.793 1.00 0.00 C ATOM 680 CD1 ILE A 43 180.198 4.862 -10.862 1.00 0.00 C ATOM 0 H ILE A 43 177.900 6.548 -14.773 1.00 0.00 H new ATOM 0 HA ILE A 43 179.715 4.285 -15.011 1.00 0.00 H new ATOM 0 HB ILE A 43 177.969 4.653 -12.541 1.00 0.00 H new ATOM 0 HG12 ILE A 43 180.982 4.906 -12.846 1.00 0.00 H new ATOM 0 HG13 ILE A 43 179.867 6.209 -12.484 1.00 0.00 H new ATOM 0 HG21 ILE A 43 179.155 2.649 -11.725 1.00 0.00 H new ATOM 0 HG22 ILE A 43 178.260 2.320 -13.228 1.00 0.00 H new ATOM 0 HG23 ILE A 43 180.025 2.540 -13.274 1.00 0.00 H new ATOM 0 HD11 ILE A 43 181.021 5.455 -10.462 1.00 0.00 H new ATOM 0 HD12 ILE A 43 179.276 5.126 -10.344 1.00 0.00 H new ATOM 0 HD13 ILE A 43 180.408 3.803 -10.713 1.00 0.00 H new ATOM 692 N LYS A 44 177.772 2.918 -15.818 1.00 0.00 N ATOM 693 CA LYS A 44 176.659 2.187 -16.429 1.00 0.00 C ATOM 694 C LYS A 44 176.036 1.180 -15.453 1.00 0.00 C ATOM 695 O LYS A 44 174.899 0.749 -15.648 1.00 0.00 O ATOM 696 CB LYS A 44 177.126 1.462 -17.697 1.00 0.00 C ATOM 697 CG LYS A 44 178.165 0.380 -17.442 1.00 0.00 C ATOM 698 CD LYS A 44 178.661 -0.234 -18.741 1.00 0.00 C ATOM 699 CE LYS A 44 179.642 -1.367 -18.479 1.00 0.00 C ATOM 700 NZ LYS A 44 179.503 -2.472 -19.471 1.00 0.00 N ATOM 0 H LYS A 44 178.690 2.507 -15.991 1.00 0.00 H new ATOM 0 HA LYS A 44 175.895 2.919 -16.692 1.00 0.00 H new ATOM 0 HB2 LYS A 44 176.261 1.014 -18.186 1.00 0.00 H new ATOM 0 HB3 LYS A 44 177.541 2.194 -18.390 1.00 0.00 H new ATOM 0 HG2 LYS A 44 179.007 0.804 -16.894 1.00 0.00 H new ATOM 0 HG3 LYS A 44 177.734 -0.398 -16.812 1.00 0.00 H new ATOM 0 HD2 LYS A 44 177.814 -0.609 -19.315 1.00 0.00 H new ATOM 0 HD3 LYS A 44 179.142 0.533 -19.348 1.00 0.00 H new ATOM 0 HE2 LYS A 44 180.660 -0.979 -18.510 1.00 0.00 H new ATOM 0 HE3 LYS A 44 179.481 -1.760 -17.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 180.190 -3.222 -19.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 178.540 -2.861 -19.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 179.682 -2.105 -20.427 1.00 0.00 H new ATOM 714 N HIS A 45 176.785 0.803 -14.411 1.00 0.00 N ATOM 715 CA HIS A 45 176.297 -0.156 -13.419 1.00 0.00 C ATOM 716 C HIS A 45 175.972 0.541 -12.093 1.00 0.00 C ATOM 717 O HIS A 45 176.811 0.600 -11.191 1.00 0.00 O ATOM 718 CB HIS A 45 177.340 -1.256 -13.193 1.00 0.00 C ATOM 719 CG HIS A 45 176.958 -2.588 -13.768 1.00 0.00 C ATOM 720 ND1 HIS A 45 177.886 -3.497 -14.234 1.00 0.00 N ATOM 721 CD2 HIS A 45 175.746 -3.169 -13.943 1.00 0.00 C ATOM 722 CE1 HIS A 45 177.261 -4.577 -14.670 1.00 0.00 C ATOM 723 NE2 HIS A 45 175.964 -4.403 -14.503 1.00 0.00 N ATOM 0 H HIS A 45 177.729 1.147 -14.235 1.00 0.00 H new ATOM 0 HA HIS A 45 175.380 -0.604 -13.802 1.00 0.00 H new ATOM 0 HB2 HIS A 45 178.286 -0.940 -13.632 1.00 0.00 H new ATOM 0 HB3 HIS A 45 177.507 -1.369 -12.122 1.00 0.00 H new ATOM 0 HD2 HIS A 45 174.788 -2.741 -13.689 1.00 0.00 H new ATOM 0 HE1 HIS A 45 177.732 -5.453 -15.091 1.00 0.00 H new ATOM 0 HE2 HIS A 45 175.240 -5.077 -14.750 1.00 0.00 H new ATOM 732 N PRO A 46 174.745 1.082 -11.957 1.00 0.00 N ATOM 733 CA PRO A 46 174.313 1.778 -10.736 1.00 0.00 C ATOM 734 C PRO A 46 174.069 0.823 -9.568 1.00 0.00 C ATOM 735 O PRO A 46 173.575 -0.291 -9.759 1.00 0.00 O ATOM 736 CB PRO A 46 173.007 2.452 -11.161 1.00 0.00 C ATOM 737 CG PRO A 46 172.478 1.587 -12.252 1.00 0.00 C ATOM 738 CD PRO A 46 173.682 1.062 -12.983 1.00 0.00 C ATOM 0 HA PRO A 46 175.072 2.471 -10.373 1.00 0.00 H new ATOM 0 HB2 PRO A 46 172.305 2.516 -10.330 1.00 0.00 H new ATOM 0 HB3 PRO A 46 173.181 3.470 -11.511 1.00 0.00 H new ATOM 0 HG2 PRO A 46 171.880 0.770 -11.848 1.00 0.00 H new ATOM 0 HG3 PRO A 46 171.831 2.154 -12.921 1.00 0.00 H new ATOM 0 HD2 PRO A 46 173.512 0.055 -13.365 1.00 0.00 H new ATOM 0 HD3 PRO A 46 173.937 1.689 -13.838 1.00 0.00 H new ATOM 746 N MET A 47 174.415 1.269 -8.359 1.00 0.00 N ATOM 747 CA MET A 47 174.234 0.457 -7.157 1.00 0.00 C ATOM 748 C MET A 47 174.026 1.337 -5.924 1.00 0.00 C ATOM 749 O MET A 47 174.869 2.177 -5.603 1.00 0.00 O ATOM 750 CB MET A 47 175.441 -0.463 -6.947 1.00 0.00 C ATOM 751 CG MET A 47 175.283 -1.833 -7.587 1.00 0.00 C ATOM 752 SD MET A 47 173.881 -2.751 -6.924 1.00 0.00 S ATOM 753 CE MET A 47 173.948 -4.237 -7.920 1.00 0.00 C ATOM 0 H MET A 47 174.822 2.188 -8.188 1.00 0.00 H new ATOM 0 HA MET A 47 173.342 -0.153 -7.296 1.00 0.00 H new ATOM 0 HB2 MET A 47 176.329 0.019 -7.355 1.00 0.00 H new ATOM 0 HB3 MET A 47 175.609 -0.588 -5.877 1.00 0.00 H new ATOM 0 HG2 MET A 47 175.159 -1.715 -8.663 1.00 0.00 H new ATOM 0 HG3 MET A 47 176.195 -2.409 -7.433 1.00 0.00 H new ATOM 0 HE1 MET A 47 173.140 -4.908 -7.627 1.00 0.00 H new ATOM 0 HE2 MET A 47 173.839 -3.975 -8.972 1.00 0.00 H new ATOM 0 HE3 MET A 47 174.906 -4.734 -7.767 1.00 0.00 H new ATOM 763 N ASP A 48 172.902 1.134 -5.234 1.00 0.00 N ATOM 764 CA ASP A 48 172.582 1.905 -4.032 1.00 0.00 C ATOM 765 C ASP A 48 172.165 0.988 -2.884 1.00 0.00 C ATOM 766 O ASP A 48 171.817 -0.174 -3.102 1.00 0.00 O ATOM 767 CB ASP A 48 171.460 2.905 -4.323 1.00 0.00 C ATOM 768 CG ASP A 48 171.985 4.239 -4.811 1.00 0.00 C ATOM 769 OD1 ASP A 48 172.461 5.032 -3.972 1.00 0.00 O ATOM 770 OD2 ASP A 48 171.922 4.490 -6.032 1.00 0.00 O ATOM 0 H ASP A 48 172.198 0.441 -5.488 1.00 0.00 H new ATOM 0 HA ASP A 48 173.481 2.446 -3.735 1.00 0.00 H new ATOM 0 HB2 ASP A 48 170.789 2.486 -5.073 1.00 0.00 H new ATOM 0 HB3 ASP A 48 170.871 3.059 -3.419 1.00 0.00 H new ATOM 775 N MET A 49 172.195 1.522 -1.661 1.00 0.00 N ATOM 776 CA MET A 49 171.811 0.755 -0.474 1.00 0.00 C ATOM 777 C MET A 49 170.400 0.189 -0.621 1.00 0.00 C ATOM 778 O MET A 49 170.141 -0.956 -0.249 1.00 0.00 O ATOM 779 CB MET A 49 171.888 1.628 0.781 1.00 0.00 C ATOM 780 CG MET A 49 173.249 1.603 1.458 1.00 0.00 C ATOM 781 SD MET A 49 173.148 1.876 3.238 1.00 0.00 S ATOM 782 CE MET A 49 172.341 3.474 3.295 1.00 0.00 C ATOM 0 H MET A 49 172.481 2.482 -1.467 1.00 0.00 H new ATOM 0 HA MET A 49 172.512 -0.074 -0.374 1.00 0.00 H new ATOM 0 HB2 MET A 49 171.643 2.656 0.514 1.00 0.00 H new ATOM 0 HB3 MET A 49 171.132 1.295 1.492 1.00 0.00 H new ATOM 0 HG2 MET A 49 173.726 0.642 1.269 1.00 0.00 H new ATOM 0 HG3 MET A 49 173.885 2.368 1.013 1.00 0.00 H new ATOM 0 HE1 MET A 49 173.021 4.210 3.723 1.00 0.00 H new ATOM 0 HE2 MET A 49 172.065 3.779 2.285 1.00 0.00 H new ATOM 0 HE3 MET A 49 171.444 3.407 3.911 1.00 0.00 H new ATOM 792 N SER A 50 169.493 0.998 -1.173 1.00 0.00 N ATOM 793 CA SER A 50 168.110 0.574 -1.378 1.00 0.00 C ATOM 794 C SER A 50 168.042 -0.598 -2.355 1.00 0.00 C ATOM 795 O SER A 50 167.290 -1.548 -2.143 1.00 0.00 O ATOM 796 CB SER A 50 167.266 1.738 -1.904 1.00 0.00 C ATOM 797 OG SER A 50 165.926 1.642 -1.453 1.00 0.00 O ATOM 0 H SER A 50 169.693 1.948 -1.485 1.00 0.00 H new ATOM 0 HA SER A 50 167.710 0.251 -0.417 1.00 0.00 H new ATOM 0 HB2 SER A 50 167.697 2.683 -1.573 1.00 0.00 H new ATOM 0 HB3 SER A 50 167.287 1.743 -2.994 1.00 0.00 H new ATOM 0 HG SER A 50 165.597 2.533 -1.214 1.00 0.00 H new ATOM 803 N THR A 51 168.837 -0.523 -3.422 1.00 0.00 N ATOM 804 CA THR A 51 168.870 -1.578 -4.433 1.00 0.00 C ATOM 805 C THR A 51 169.385 -2.890 -3.839 1.00 0.00 C ATOM 806 O THR A 51 168.859 -3.963 -4.139 1.00 0.00 O ATOM 807 CB THR A 51 169.751 -1.159 -5.619 1.00 0.00 C ATOM 808 OG1 THR A 51 169.677 0.241 -5.839 1.00 0.00 O ATOM 809 CG2 THR A 51 169.378 -1.848 -6.917 1.00 0.00 C ATOM 0 H THR A 51 169.467 0.258 -3.608 1.00 0.00 H new ATOM 0 HA THR A 51 167.851 -1.735 -4.786 1.00 0.00 H new ATOM 0 HB THR A 51 170.762 -1.459 -5.342 1.00 0.00 H new ATOM 0 HG1 THR A 51 170.248 0.483 -6.598 1.00 0.00 H new ATOM 0 HG21 THR A 51 170.039 -1.507 -7.713 1.00 0.00 H new ATOM 0 HG22 THR A 51 169.479 -2.927 -6.799 1.00 0.00 H new ATOM 0 HG23 THR A 51 168.347 -1.607 -7.174 1.00 0.00 H new ATOM 817 N ILE A 52 170.412 -2.797 -2.993 1.00 0.00 N ATOM 818 CA ILE A 52 170.993 -3.978 -2.357 1.00 0.00 C ATOM 819 C ILE A 52 170.040 -4.567 -1.316 1.00 0.00 C ATOM 820 O ILE A 52 169.835 -5.780 -1.268 1.00 0.00 O ATOM 821 CB ILE A 52 172.343 -3.653 -1.678 1.00 0.00 C ATOM 822 CG1 ILE A 52 173.290 -2.958 -2.664 1.00 0.00 C ATOM 823 CG2 ILE A 52 172.983 -4.923 -1.133 1.00 0.00 C ATOM 824 CD1 ILE A 52 174.280 -2.024 -1.999 1.00 0.00 C ATOM 0 H ILE A 52 170.857 -1.917 -2.733 1.00 0.00 H new ATOM 0 HA ILE A 52 171.163 -4.709 -3.148 1.00 0.00 H new ATOM 0 HB ILE A 52 172.154 -2.974 -0.846 1.00 0.00 H new ATOM 0 HG12 ILE A 52 173.838 -3.716 -3.224 1.00 0.00 H new ATOM 0 HG13 ILE A 52 172.699 -2.394 -3.386 1.00 0.00 H new ATOM 0 HG21 ILE A 52 173.933 -4.677 -0.658 1.00 0.00 H new ATOM 0 HG22 ILE A 52 172.318 -5.380 -0.400 1.00 0.00 H new ATOM 0 HG23 ILE A 52 173.157 -5.623 -1.951 1.00 0.00 H new ATOM 0 HD11 ILE A 52 174.917 -1.569 -2.758 1.00 0.00 H new ATOM 0 HD12 ILE A 52 173.740 -1.244 -1.462 1.00 0.00 H new ATOM 0 HD13 ILE A 52 174.897 -2.587 -1.298 1.00 0.00 H new ATOM 836 N LYS A 53 169.455 -3.702 -0.487 1.00 0.00 N ATOM 837 CA LYS A 53 168.522 -4.145 0.547 1.00 0.00 C ATOM 838 C LYS A 53 167.251 -4.719 -0.072 1.00 0.00 C ATOM 839 O LYS A 53 166.704 -5.702 0.426 1.00 0.00 O ATOM 840 CB LYS A 53 168.163 -2.991 1.486 1.00 0.00 C ATOM 841 CG LYS A 53 168.070 -3.404 2.947 1.00 0.00 C ATOM 842 CD LYS A 53 166.674 -3.894 3.304 1.00 0.00 C ATOM 843 CE LYS A 53 166.725 -5.106 4.225 1.00 0.00 C ATOM 844 NZ LYS A 53 165.585 -5.133 5.187 1.00 0.00 N ATOM 0 H LYS A 53 169.610 -2.694 -0.512 1.00 0.00 H new ATOM 0 HA LYS A 53 169.016 -4.928 1.122 1.00 0.00 H new ATOM 0 HB2 LYS A 53 168.912 -2.205 1.386 1.00 0.00 H new ATOM 0 HB3 LYS A 53 167.209 -2.564 1.176 1.00 0.00 H new ATOM 0 HG2 LYS A 53 168.795 -4.192 3.150 1.00 0.00 H new ATOM 0 HG3 LYS A 53 168.333 -2.558 3.582 1.00 0.00 H new ATOM 0 HD2 LYS A 53 166.119 -3.091 3.788 1.00 0.00 H new ATOM 0 HD3 LYS A 53 166.134 -4.151 2.393 1.00 0.00 H new ATOM 0 HE2 LYS A 53 166.713 -6.016 3.625 1.00 0.00 H new ATOM 0 HE3 LYS A 53 167.664 -5.100 4.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 165.185 -6.092 5.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 165.922 -4.861 6.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 164.852 -4.465 4.875 1.00 0.00 H new ATOM 858 N SER A 54 166.788 -4.099 -1.159 1.00 0.00 N ATOM 859 CA SER A 54 165.577 -4.550 -1.846 1.00 0.00 C ATOM 860 C SER A 54 165.710 -6.008 -2.281 1.00 0.00 C ATOM 861 O SER A 54 164.767 -6.790 -2.144 1.00 0.00 O ATOM 862 CB SER A 54 165.285 -3.661 -3.060 1.00 0.00 C ATOM 863 OG SER A 54 163.996 -3.921 -3.589 1.00 0.00 O ATOM 0 H SER A 54 167.233 -3.284 -1.582 1.00 0.00 H new ATOM 0 HA SER A 54 164.744 -4.474 -1.147 1.00 0.00 H new ATOM 0 HB2 SER A 54 165.358 -2.612 -2.772 1.00 0.00 H new ATOM 0 HB3 SER A 54 166.038 -3.833 -3.829 1.00 0.00 H new ATOM 0 HG SER A 54 163.836 -3.339 -4.361 1.00 0.00 H new ATOM 869 N LYS A 55 166.890 -6.377 -2.788 1.00 0.00 N ATOM 870 CA LYS A 55 167.138 -7.750 -3.218 1.00 0.00 C ATOM 871 C LYS A 55 166.972 -8.705 -2.039 1.00 0.00 C ATOM 872 O LYS A 55 166.276 -9.715 -2.138 1.00 0.00 O ATOM 873 CB LYS A 55 168.544 -7.882 -3.813 1.00 0.00 C ATOM 874 CG LYS A 55 168.606 -7.593 -5.307 1.00 0.00 C ATOM 875 CD LYS A 55 169.694 -8.408 -5.992 1.00 0.00 C ATOM 876 CE LYS A 55 170.999 -7.629 -6.096 1.00 0.00 C ATOM 877 NZ LYS A 55 171.171 -6.992 -7.434 1.00 0.00 N ATOM 0 H LYS A 55 167.682 -5.746 -2.909 1.00 0.00 H new ATOM 0 HA LYS A 55 166.412 -8.010 -3.989 1.00 0.00 H new ATOM 0 HB2 LYS A 55 169.215 -7.199 -3.292 1.00 0.00 H new ATOM 0 HB3 LYS A 55 168.912 -8.892 -3.632 1.00 0.00 H new ATOM 0 HG2 LYS A 55 167.641 -7.818 -5.762 1.00 0.00 H new ATOM 0 HG3 LYS A 55 168.793 -6.531 -5.465 1.00 0.00 H new ATOM 0 HD2 LYS A 55 169.864 -9.330 -5.435 1.00 0.00 H new ATOM 0 HD3 LYS A 55 169.361 -8.695 -6.989 1.00 0.00 H new ATOM 0 HE2 LYS A 55 171.023 -6.860 -5.324 1.00 0.00 H new ATOM 0 HE3 LYS A 55 171.837 -8.300 -5.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 172.026 -7.369 -7.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 170.342 -7.200 -8.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 171.265 -5.963 -7.319 1.00 0.00 H new ATOM 891 N LEU A 56 167.600 -8.363 -0.914 1.00 0.00 N ATOM 892 CA LEU A 56 167.510 -9.172 0.298 1.00 0.00 C ATOM 893 C LEU A 56 166.070 -9.199 0.821 1.00 0.00 C ATOM 894 O LEU A 56 165.616 -10.211 1.358 1.00 0.00 O ATOM 895 CB LEU A 56 168.466 -8.619 1.367 1.00 0.00 C ATOM 896 CG LEU A 56 168.205 -9.080 2.807 1.00 0.00 C ATOM 897 CD1 LEU A 56 168.356 -10.590 2.927 1.00 0.00 C ATOM 898 CD2 LEU A 56 169.152 -8.374 3.769 1.00 0.00 C ATOM 0 H LEU A 56 168.178 -7.528 -0.818 1.00 0.00 H new ATOM 0 HA LEU A 56 167.802 -10.195 0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 56 169.484 -8.900 1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 56 168.418 -7.530 1.341 1.00 0.00 H new ATOM 0 HG LEU A 56 167.180 -8.818 3.069 1.00 0.00 H new ATOM 0 HD11 LEU A 56 168.166 -10.894 3.956 1.00 0.00 H new ATOM 0 HD12 LEU A 56 167.641 -11.081 2.266 1.00 0.00 H new ATOM 0 HD13 LEU A 56 169.369 -10.878 2.644 1.00 0.00 H new ATOM 0 HD21 LEU A 56 168.955 -8.711 4.787 1.00 0.00 H new ATOM 0 HD22 LEU A 56 170.183 -8.608 3.502 1.00 0.00 H new ATOM 0 HD23 LEU A 56 168.997 -7.297 3.707 1.00 0.00 H new ATOM 910 N GLU A 57 165.354 -8.082 0.651 1.00 0.00 N ATOM 911 CA GLU A 57 163.963 -7.975 1.098 1.00 0.00 C ATOM 912 C GLU A 57 163.062 -8.959 0.351 1.00 0.00 C ATOM 913 O GLU A 57 162.166 -9.561 0.943 1.00 0.00 O ATOM 914 CB GLU A 57 163.445 -6.548 0.903 1.00 0.00 C ATOM 915 CG GLU A 57 164.106 -5.536 1.823 1.00 0.00 C ATOM 916 CD GLU A 57 163.106 -4.688 2.583 1.00 0.00 C ATOM 917 OE1 GLU A 57 162.445 -5.225 3.497 1.00 0.00 O ATOM 918 OE2 GLU A 57 162.988 -3.486 2.269 1.00 0.00 O ATOM 0 H GLU A 57 165.717 -7.239 0.206 1.00 0.00 H new ATOM 0 HA GLU A 57 163.938 -8.224 2.159 1.00 0.00 H new ATOM 0 HB2 GLU A 57 163.608 -6.248 -0.132 1.00 0.00 H new ATOM 0 HB3 GLU A 57 162.368 -6.534 1.073 1.00 0.00 H new ATOM 0 HG2 GLU A 57 164.744 -6.061 2.534 1.00 0.00 H new ATOM 0 HG3 GLU A 57 164.753 -4.886 1.234 1.00 0.00 H new ATOM 925 N ALA A 58 163.307 -9.120 -0.952 1.00 0.00 N ATOM 926 CA ALA A 58 162.515 -10.035 -1.777 1.00 0.00 C ATOM 927 C ALA A 58 163.098 -11.456 -1.786 1.00 0.00 C ATOM 928 O ALA A 58 162.734 -12.273 -2.633 1.00 0.00 O ATOM 929 CB ALA A 58 162.404 -9.500 -3.199 1.00 0.00 C ATOM 0 H ALA A 58 164.045 -8.630 -1.457 1.00 0.00 H new ATOM 0 HA ALA A 58 161.520 -10.095 -1.336 1.00 0.00 H new ATOM 0 HB1 ALA A 58 161.813 -10.189 -3.802 1.00 0.00 H new ATOM 0 HB2 ALA A 58 161.919 -8.524 -3.184 1.00 0.00 H new ATOM 0 HB3 ALA A 58 163.400 -9.403 -3.630 1.00 0.00 H new ATOM 935 N ARG A 59 164.003 -11.747 -0.843 1.00 0.00 N ATOM 936 CA ARG A 59 164.634 -13.067 -0.749 1.00 0.00 C ATOM 937 C ARG A 59 165.414 -13.410 -2.022 1.00 0.00 C ATOM 938 O ARG A 59 165.598 -14.585 -2.346 1.00 0.00 O ATOM 939 CB ARG A 59 163.586 -14.152 -0.464 1.00 0.00 C ATOM 940 CG ARG A 59 163.906 -15.000 0.759 1.00 0.00 C ATOM 941 CD ARG A 59 164.526 -16.338 0.375 1.00 0.00 C ATOM 942 NE ARG A 59 163.539 -17.418 0.348 1.00 0.00 N ATOM 943 CZ ARG A 59 162.930 -17.905 1.433 1.00 0.00 C ATOM 944 NH1 ARG A 59 163.200 -17.411 2.639 1.00 0.00 N ATOM 945 NH2 ARG A 59 162.047 -18.890 1.313 1.00 0.00 N ATOM 0 H ARG A 59 164.314 -11.084 -0.133 1.00 0.00 H new ATOM 0 HA ARG A 59 165.340 -13.032 0.081 1.00 0.00 H new ATOM 0 HB2 ARG A 59 162.614 -13.679 -0.324 1.00 0.00 H new ATOM 0 HB3 ARG A 59 163.502 -14.802 -1.335 1.00 0.00 H new ATOM 0 HG2 ARG A 59 164.591 -14.456 1.409 1.00 0.00 H new ATOM 0 HG3 ARG A 59 162.994 -15.173 1.330 1.00 0.00 H new ATOM 0 HD2 ARG A 59 164.994 -16.251 -0.606 1.00 0.00 H new ATOM 0 HD3 ARG A 59 165.315 -16.587 1.084 1.00 0.00 H new ATOM 0 HE ARG A 59 163.301 -17.825 -0.557 1.00 0.00 H new ATOM 0 HH11 ARG A 59 163.877 -16.654 2.740 1.00 0.00 H new ATOM 0 HH12 ARG A 59 162.730 -17.789 3.462 1.00 0.00 H new ATOM 0 HH21 ARG A 59 161.834 -19.275 0.393 1.00 0.00 H new ATOM 0 HH22 ARG A 59 161.582 -19.262 2.141 1.00 0.00 H new ATOM 959 N GLU A 60 165.887 -12.383 -2.729 1.00 0.00 N ATOM 960 CA GLU A 60 166.659 -12.588 -3.952 1.00 0.00 C ATOM 961 C GLU A 60 168.078 -13.045 -3.618 1.00 0.00 C ATOM 962 O GLU A 60 168.672 -13.840 -4.349 1.00 0.00 O ATOM 963 CB GLU A 60 166.703 -11.305 -4.788 1.00 0.00 C ATOM 964 CG GLU A 60 165.354 -10.902 -5.365 1.00 0.00 C ATOM 965 CD GLU A 60 165.448 -10.451 -6.811 1.00 0.00 C ATOM 966 OE1 GLU A 60 165.920 -11.246 -7.652 1.00 0.00 O ATOM 967 OE2 GLU A 60 165.050 -9.304 -7.102 1.00 0.00 O ATOM 0 H GLU A 60 165.749 -11.405 -2.476 1.00 0.00 H new ATOM 0 HA GLU A 60 166.167 -13.366 -4.537 1.00 0.00 H new ATOM 0 HB2 GLU A 60 167.080 -10.491 -4.169 1.00 0.00 H new ATOM 0 HB3 GLU A 60 167.412 -11.439 -5.605 1.00 0.00 H new ATOM 0 HG2 GLU A 60 164.667 -11.745 -5.295 1.00 0.00 H new ATOM 0 HG3 GLU A 60 164.932 -10.097 -4.764 1.00 0.00 H new ATOM 974 N TYR A 61 168.612 -12.544 -2.502 1.00 0.00 N ATOM 975 CA TYR A 61 169.954 -12.911 -2.062 1.00 0.00 C ATOM 976 C TYR A 61 169.979 -14.351 -1.562 1.00 0.00 C ATOM 977 O TYR A 61 169.504 -14.645 -0.464 1.00 0.00 O ATOM 978 CB TYR A 61 170.437 -11.962 -0.963 1.00 0.00 C ATOM 979 CG TYR A 61 171.208 -10.772 -1.493 1.00 0.00 C ATOM 980 CD1 TYR A 61 172.341 -10.952 -2.278 1.00 0.00 C ATOM 981 CD2 TYR A 61 170.801 -9.473 -1.216 1.00 0.00 C ATOM 982 CE1 TYR A 61 173.047 -9.873 -2.770 1.00 0.00 C ATOM 983 CE2 TYR A 61 171.504 -8.389 -1.705 1.00 0.00 C ATOM 984 CZ TYR A 61 172.625 -8.595 -2.481 1.00 0.00 C ATOM 985 OH TYR A 61 173.330 -7.520 -2.966 1.00 0.00 O ATOM 0 H TYR A 61 168.134 -11.884 -1.889 1.00 0.00 H new ATOM 0 HA TYR A 61 170.627 -12.827 -2.915 1.00 0.00 H new ATOM 0 HB2 TYR A 61 169.576 -11.605 -0.397 1.00 0.00 H new ATOM 0 HB3 TYR A 61 171.069 -12.515 -0.268 1.00 0.00 H new ATOM 0 HD1 TYR A 61 172.675 -11.953 -2.507 1.00 0.00 H new ATOM 0 HD2 TYR A 61 169.923 -9.308 -0.610 1.00 0.00 H new ATOM 0 HE1 TYR A 61 173.925 -10.030 -3.378 1.00 0.00 H new ATOM 0 HE2 TYR A 61 171.177 -7.384 -1.480 1.00 0.00 H new ATOM 0 HH TYR A 61 172.739 -6.960 -3.511 1.00 0.00 H new ATOM 995 N ARG A 62 170.535 -15.244 -2.381 1.00 0.00 N ATOM 996 CA ARG A 62 170.624 -16.660 -2.030 1.00 0.00 C ATOM 997 C ARG A 62 171.412 -16.864 -0.735 1.00 0.00 C ATOM 998 O ARG A 62 171.173 -17.828 -0.005 1.00 0.00 O ATOM 999 CB ARG A 62 171.281 -17.453 -3.164 1.00 0.00 C ATOM 1000 CG ARG A 62 170.512 -17.395 -4.477 1.00 0.00 C ATOM 1001 CD ARG A 62 171.448 -17.266 -5.672 1.00 0.00 C ATOM 1002 NE ARG A 62 171.136 -18.233 -6.724 1.00 0.00 N ATOM 1003 CZ ARG A 62 171.447 -19.531 -6.663 1.00 0.00 C ATOM 1004 NH1 ARG A 62 172.074 -20.027 -5.599 1.00 0.00 N ATOM 1005 NH2 ARG A 62 171.128 -20.338 -7.670 1.00 0.00 N ATOM 0 H ARG A 62 170.930 -15.011 -3.292 1.00 0.00 H new ATOM 0 HA ARG A 62 169.609 -17.025 -1.876 1.00 0.00 H new ATOM 0 HB2 ARG A 62 172.289 -17.071 -3.326 1.00 0.00 H new ATOM 0 HB3 ARG A 62 171.381 -18.494 -2.857 1.00 0.00 H new ATOM 0 HG2 ARG A 62 169.906 -18.295 -4.584 1.00 0.00 H new ATOM 0 HG3 ARG A 62 169.825 -16.549 -4.460 1.00 0.00 H new ATOM 0 HD2 ARG A 62 171.380 -16.256 -6.077 1.00 0.00 H new ATOM 0 HD3 ARG A 62 172.477 -17.409 -5.343 1.00 0.00 H new ATOM 0 HE ARG A 62 170.651 -17.896 -7.556 1.00 0.00 H new ATOM 0 HH11 ARG A 62 172.321 -19.415 -4.821 1.00 0.00 H new ATOM 0 HH12 ARG A 62 172.307 -21.019 -5.561 1.00 0.00 H new ATOM 0 HH21 ARG A 62 170.646 -19.966 -8.489 1.00 0.00 H new ATOM 0 HH22 ARG A 62 171.365 -21.329 -7.624 1.00 0.00 H new ATOM 1019 N ASP A 63 172.348 -15.954 -0.453 1.00 0.00 N ATOM 1020 CA ASP A 63 173.163 -16.044 0.756 1.00 0.00 C ATOM 1021 C ASP A 63 173.779 -14.691 1.112 1.00 0.00 C ATOM 1022 O ASP A 63 173.757 -13.757 0.308 1.00 0.00 O ATOM 1023 CB ASP A 63 174.267 -17.092 0.575 1.00 0.00 C ATOM 1024 CG ASP A 63 174.710 -17.695 1.892 1.00 0.00 C ATOM 1025 OD1 ASP A 63 173.920 -18.454 2.493 1.00 0.00 O ATOM 1026 OD2 ASP A 63 175.843 -17.402 2.328 1.00 0.00 O ATOM 0 H ASP A 63 172.558 -15.150 -1.045 1.00 0.00 H new ATOM 0 HA ASP A 63 172.512 -16.347 1.576 1.00 0.00 H new ATOM 0 HB2 ASP A 63 173.908 -17.884 -0.082 1.00 0.00 H new ATOM 0 HB3 ASP A 63 175.124 -16.632 0.082 1.00 0.00 H new ATOM 1031 N ALA A 64 174.333 -14.599 2.324 1.00 0.00 N ATOM 1032 CA ALA A 64 174.967 -13.368 2.797 1.00 0.00 C ATOM 1033 C ALA A 64 176.271 -13.086 2.050 1.00 0.00 C ATOM 1034 O ALA A 64 176.734 -11.944 2.012 1.00 0.00 O ATOM 1035 CB ALA A 64 175.228 -13.447 4.296 1.00 0.00 C ATOM 0 H ALA A 64 174.355 -15.366 2.997 1.00 0.00 H new ATOM 0 HA ALA A 64 174.281 -12.545 2.597 1.00 0.00 H new ATOM 0 HB1 ALA A 64 175.700 -12.524 4.632 1.00 0.00 H new ATOM 0 HB2 ALA A 64 174.284 -13.585 4.823 1.00 0.00 H new ATOM 0 HB3 ALA A 64 175.887 -14.289 4.507 1.00 0.00 H new ATOM 1041 N GLN A 65 176.861 -14.127 1.454 1.00 0.00 N ATOM 1042 CA GLN A 65 178.110 -13.978 0.708 1.00 0.00 C ATOM 1043 C GLN A 65 177.912 -13.051 -0.490 1.00 0.00 C ATOM 1044 O GLN A 65 178.749 -12.188 -0.762 1.00 0.00 O ATOM 1045 CB GLN A 65 178.618 -15.346 0.240 1.00 0.00 C ATOM 1046 CG GLN A 65 180.125 -15.509 0.361 1.00 0.00 C ATOM 1047 CD GLN A 65 180.575 -15.763 1.789 1.00 0.00 C ATOM 1048 OE1 GLN A 65 179.897 -16.448 2.554 1.00 0.00 O ATOM 1049 NE2 GLN A 65 181.727 -15.211 2.155 1.00 0.00 N ATOM 0 H GLN A 65 176.493 -15.078 1.475 1.00 0.00 H new ATOM 0 HA GLN A 65 178.855 -13.535 1.370 1.00 0.00 H new ATOM 0 HB2 GLN A 65 178.128 -16.125 0.824 1.00 0.00 H new ATOM 0 HB3 GLN A 65 178.327 -15.496 -0.800 1.00 0.00 H new ATOM 0 HG2 GLN A 65 180.448 -16.337 -0.270 1.00 0.00 H new ATOM 0 HG3 GLN A 65 180.615 -14.611 -0.015 1.00 0.00 H new ATOM 0 HE21 GLN A 65 182.258 -14.650 1.489 1.00 0.00 H new ATOM 0 HE22 GLN A 65 182.080 -15.348 3.102 1.00 0.00 H new ATOM 1058 N GLU A 66 176.792 -13.226 -1.192 1.00 0.00 N ATOM 1059 CA GLU A 66 176.468 -12.397 -2.353 1.00 0.00 C ATOM 1060 C GLU A 66 176.106 -10.973 -1.921 1.00 0.00 C ATOM 1061 O GLU A 66 176.390 -10.009 -2.634 1.00 0.00 O ATOM 1062 CB GLU A 66 175.309 -13.018 -3.136 1.00 0.00 C ATOM 1063 CG GLU A 66 175.117 -12.424 -4.523 1.00 0.00 C ATOM 1064 CD GLU A 66 173.685 -12.531 -5.017 1.00 0.00 C ATOM 1065 OE1 GLU A 66 173.093 -13.626 -4.903 1.00 0.00 O ATOM 1066 OE2 GLU A 66 173.155 -11.517 -5.518 1.00 0.00 O ATOM 0 H GLU A 66 176.092 -13.936 -0.976 1.00 0.00 H new ATOM 0 HA GLU A 66 177.347 -12.348 -2.995 1.00 0.00 H new ATOM 0 HB2 GLU A 66 175.480 -14.090 -3.231 1.00 0.00 H new ATOM 0 HB3 GLU A 66 174.389 -12.891 -2.566 1.00 0.00 H new ATOM 0 HG2 GLU A 66 175.414 -11.375 -4.508 1.00 0.00 H new ATOM 0 HG3 GLU A 66 175.778 -12.932 -5.225 1.00 0.00 H new ATOM 1073 N PHE A 67 175.484 -10.852 -0.745 1.00 0.00 N ATOM 1074 CA PHE A 67 175.089 -9.550 -0.208 1.00 0.00 C ATOM 1075 C PHE A 67 176.316 -8.678 0.037 1.00 0.00 C ATOM 1076 O PHE A 67 176.354 -7.514 -0.366 1.00 0.00 O ATOM 1077 CB PHE A 67 174.304 -9.729 1.097 1.00 0.00 C ATOM 1078 CG PHE A 67 173.650 -8.468 1.595 1.00 0.00 C ATOM 1079 CD1 PHE A 67 174.405 -7.452 2.159 1.00 0.00 C ATOM 1080 CD2 PHE A 67 172.278 -8.303 1.499 1.00 0.00 C ATOM 1081 CE1 PHE A 67 173.803 -6.296 2.618 1.00 0.00 C ATOM 1082 CE2 PHE A 67 171.671 -7.149 1.957 1.00 0.00 C ATOM 1083 CZ PHE A 67 172.434 -6.145 2.517 1.00 0.00 C ATOM 0 H PHE A 67 175.243 -11.642 -0.147 1.00 0.00 H new ATOM 0 HA PHE A 67 174.450 -9.056 -0.940 1.00 0.00 H new ATOM 0 HB2 PHE A 67 173.537 -10.489 0.947 1.00 0.00 H new ATOM 0 HB3 PHE A 67 174.979 -10.105 1.866 1.00 0.00 H new ATOM 0 HD1 PHE A 67 175.476 -7.565 2.241 1.00 0.00 H new ATOM 0 HD2 PHE A 67 171.676 -9.085 1.061 1.00 0.00 H new ATOM 0 HE1 PHE A 67 174.403 -5.511 3.055 1.00 0.00 H new ATOM 0 HE2 PHE A 67 170.600 -7.033 1.877 1.00 0.00 H new ATOM 0 HZ PHE A 67 171.961 -5.243 2.876 1.00 0.00 H new ATOM 1093 N GLY A 68 177.319 -9.256 0.699 1.00 0.00 N ATOM 1094 CA GLY A 68 178.545 -8.533 0.991 1.00 0.00 C ATOM 1095 C GLY A 68 179.266 -8.074 -0.265 1.00 0.00 C ATOM 1096 O GLY A 68 179.901 -7.019 -0.267 1.00 0.00 O ATOM 0 H GLY A 68 177.302 -10.217 1.039 1.00 0.00 H new ATOM 0 HA2 GLY A 68 178.313 -7.666 1.609 1.00 0.00 H new ATOM 0 HA3 GLY A 68 179.209 -9.171 1.574 1.00 0.00 H new ATOM 1100 N ALA A 69 179.164 -8.865 -1.338 1.00 0.00 N ATOM 1101 CA ALA A 69 179.808 -8.529 -2.609 1.00 0.00 C ATOM 1102 C ALA A 69 179.283 -7.202 -3.160 1.00 0.00 C ATOM 1103 O ALA A 69 180.059 -6.362 -3.618 1.00 0.00 O ATOM 1104 CB ALA A 69 179.597 -9.646 -3.624 1.00 0.00 C ATOM 0 H ALA A 69 178.642 -9.741 -1.350 1.00 0.00 H new ATOM 0 HA ALA A 69 180.877 -8.419 -2.426 1.00 0.00 H new ATOM 0 HB1 ALA A 69 180.082 -9.380 -4.563 1.00 0.00 H new ATOM 0 HB2 ALA A 69 180.028 -10.571 -3.242 1.00 0.00 H new ATOM 0 HB3 ALA A 69 178.530 -9.786 -3.794 1.00 0.00 H new ATOM 1110 N ASP A 70 177.961 -7.020 -3.106 1.00 0.00 N ATOM 1111 CA ASP A 70 177.328 -5.794 -3.594 1.00 0.00 C ATOM 1112 C ASP A 70 177.773 -4.581 -2.780 1.00 0.00 C ATOM 1113 O ASP A 70 177.895 -3.479 -3.315 1.00 0.00 O ATOM 1114 CB ASP A 70 175.801 -5.921 -3.545 1.00 0.00 C ATOM 1115 CG ASP A 70 175.199 -6.283 -4.890 1.00 0.00 C ATOM 1116 OD1 ASP A 70 175.805 -7.098 -5.617 1.00 0.00 O ATOM 1117 OD2 ASP A 70 174.114 -5.756 -5.213 1.00 0.00 O ATOM 0 H ASP A 70 177.309 -7.707 -2.729 1.00 0.00 H new ATOM 0 HA ASP A 70 177.641 -5.649 -4.628 1.00 0.00 H new ATOM 0 HB2 ASP A 70 175.527 -6.681 -2.813 1.00 0.00 H new ATOM 0 HB3 ASP A 70 175.373 -4.979 -3.202 1.00 0.00 H new ATOM 1122 N VAL A 71 178.019 -4.789 -1.486 1.00 0.00 N ATOM 1123 CA VAL A 71 178.457 -3.708 -0.608 1.00 0.00 C ATOM 1124 C VAL A 71 179.826 -3.187 -1.040 1.00 0.00 C ATOM 1125 O VAL A 71 180.035 -1.977 -1.144 1.00 0.00 O ATOM 1126 CB VAL A 71 178.530 -4.159 0.867 1.00 0.00 C ATOM 1127 CG1 VAL A 71 178.861 -2.978 1.771 1.00 0.00 C ATOM 1128 CG2 VAL A 71 177.226 -4.820 1.299 1.00 0.00 C ATOM 0 H VAL A 71 177.922 -5.694 -1.025 1.00 0.00 H new ATOM 0 HA VAL A 71 177.716 -2.912 -0.690 1.00 0.00 H new ATOM 0 HB VAL A 71 179.328 -4.896 0.958 1.00 0.00 H new ATOM 0 HG11 VAL A 71 178.908 -3.315 2.807 1.00 0.00 H new ATOM 0 HG12 VAL A 71 179.824 -2.557 1.482 1.00 0.00 H new ATOM 0 HG13 VAL A 71 178.088 -2.216 1.672 1.00 0.00 H new ATOM 0 HG21 VAL A 71 177.303 -5.129 2.342 1.00 0.00 H new ATOM 0 HG22 VAL A 71 176.405 -4.111 1.190 1.00 0.00 H new ATOM 0 HG23 VAL A 71 177.037 -5.693 0.675 1.00 0.00 H new ATOM 1138 N ARG A 72 180.753 -4.110 -1.300 1.00 0.00 N ATOM 1139 CA ARG A 72 182.100 -3.747 -1.731 1.00 0.00 C ATOM 1140 C ARG A 72 182.061 -3.029 -3.082 1.00 0.00 C ATOM 1141 O ARG A 72 182.795 -2.063 -3.301 1.00 0.00 O ATOM 1142 CB ARG A 72 182.989 -4.993 -1.820 1.00 0.00 C ATOM 1143 CG ARG A 72 183.027 -5.811 -0.537 1.00 0.00 C ATOM 1144 CD ARG A 72 184.179 -6.807 -0.537 1.00 0.00 C ATOM 1145 NE ARG A 72 183.793 -8.090 0.049 1.00 0.00 N ATOM 1146 CZ ARG A 72 184.662 -9.009 0.478 1.00 0.00 C ATOM 1147 NH1 ARG A 72 185.974 -8.800 0.384 1.00 0.00 N ATOM 1148 NH2 ARG A 72 184.218 -10.146 1.003 1.00 0.00 N ATOM 0 H ARG A 72 180.594 -5.114 -1.219 1.00 0.00 H new ATOM 0 HA ARG A 72 182.522 -3.068 -0.990 1.00 0.00 H new ATOM 0 HB2 ARG A 72 182.632 -5.625 -2.633 1.00 0.00 H new ATOM 0 HB3 ARG A 72 184.004 -4.687 -2.075 1.00 0.00 H new ATOM 0 HG2 ARG A 72 183.124 -5.142 0.318 1.00 0.00 H new ATOM 0 HG3 ARG A 72 182.084 -6.345 -0.418 1.00 0.00 H new ATOM 0 HD2 ARG A 72 184.523 -6.964 -1.559 1.00 0.00 H new ATOM 0 HD3 ARG A 72 185.018 -6.391 0.021 1.00 0.00 H new ATOM 0 HE ARG A 72 182.798 -8.296 0.136 1.00 0.00 H new ATOM 0 HH11 ARG A 72 186.324 -7.931 -0.019 1.00 0.00 H new ATOM 0 HH12 ARG A 72 186.628 -9.509 0.715 1.00 0.00 H new ATOM 0 HH21 ARG A 72 183.215 -10.316 1.078 1.00 0.00 H new ATOM 0 HH22 ARG A 72 184.880 -10.849 1.331 1.00 0.00 H new ATOM 1162 N LEU A 73 181.192 -3.502 -3.979 1.00 0.00 N ATOM 1163 CA LEU A 73 181.049 -2.900 -5.305 1.00 0.00 C ATOM 1164 C LEU A 73 180.382 -1.528 -5.209 1.00 0.00 C ATOM 1165 O LEU A 73 180.809 -0.573 -5.860 1.00 0.00 O ATOM 1166 CB LEU A 73 180.234 -3.818 -6.224 1.00 0.00 C ATOM 1167 CG LEU A 73 180.244 -3.434 -7.708 1.00 0.00 C ATOM 1168 CD1 LEU A 73 180.392 -4.673 -8.580 1.00 0.00 C ATOM 1169 CD2 LEU A 73 178.978 -2.671 -8.074 1.00 0.00 C ATOM 0 H LEU A 73 180.578 -4.299 -3.811 1.00 0.00 H new ATOM 0 HA LEU A 73 182.045 -2.771 -5.728 1.00 0.00 H new ATOM 0 HB2 LEU A 73 180.615 -4.834 -6.126 1.00 0.00 H new ATOM 0 HB3 LEU A 73 179.201 -3.830 -5.875 1.00 0.00 H new ATOM 0 HG LEU A 73 181.100 -2.783 -7.887 1.00 0.00 H new ATOM 0 HD11 LEU A 73 180.397 -4.380 -9.630 1.00 0.00 H new ATOM 0 HD12 LEU A 73 181.328 -5.178 -8.339 1.00 0.00 H new ATOM 0 HD13 LEU A 73 179.557 -5.349 -8.396 1.00 0.00 H new ATOM 0 HD21 LEU A 73 179.005 -2.408 -9.131 1.00 0.00 H new ATOM 0 HD22 LEU A 73 178.107 -3.296 -7.878 1.00 0.00 H new ATOM 0 HD23 LEU A 73 178.915 -1.762 -7.475 1.00 0.00 H new ATOM 1181 N MET A 74 179.334 -1.440 -4.387 1.00 0.00 N ATOM 1182 CA MET A 74 178.604 -0.189 -4.195 1.00 0.00 C ATOM 1183 C MET A 74 179.520 0.900 -3.642 1.00 0.00 C ATOM 1184 O MET A 74 179.491 2.037 -4.112 1.00 0.00 O ATOM 1185 CB MET A 74 177.418 -0.401 -3.249 1.00 0.00 C ATOM 1186 CG MET A 74 176.471 0.788 -3.176 1.00 0.00 C ATOM 1187 SD MET A 74 176.719 1.785 -1.693 1.00 0.00 S ATOM 1188 CE MET A 74 176.308 0.601 -0.413 1.00 0.00 C ATOM 0 H MET A 74 178.973 -2.224 -3.843 1.00 0.00 H new ATOM 0 HA MET A 74 178.231 0.133 -5.167 1.00 0.00 H new ATOM 0 HB2 MET A 74 176.859 -1.279 -3.573 1.00 0.00 H new ATOM 0 HB3 MET A 74 177.796 -0.614 -2.249 1.00 0.00 H new ATOM 0 HG2 MET A 74 176.611 1.414 -4.057 1.00 0.00 H new ATOM 0 HG3 MET A 74 175.442 0.430 -3.200 1.00 0.00 H new ATOM 0 HE1 MET A 74 176.293 1.102 0.555 1.00 0.00 H new ATOM 0 HE2 MET A 74 175.326 0.173 -0.615 1.00 0.00 H new ATOM 0 HE3 MET A 74 177.054 -0.193 -0.399 1.00 0.00 H new ATOM 1198 N PHE A 75 180.333 0.546 -2.645 1.00 0.00 N ATOM 1199 CA PHE A 75 181.260 1.498 -2.034 1.00 0.00 C ATOM 1200 C PHE A 75 182.229 2.061 -3.072 1.00 0.00 C ATOM 1201 O PHE A 75 182.531 3.255 -3.064 1.00 0.00 O ATOM 1202 CB PHE A 75 182.041 0.837 -0.894 1.00 0.00 C ATOM 1203 CG PHE A 75 181.395 1.004 0.454 1.00 0.00 C ATOM 1204 CD1 PHE A 75 181.084 2.266 0.938 1.00 0.00 C ATOM 1205 CD2 PHE A 75 181.095 -0.100 1.234 1.00 0.00 C ATOM 1206 CE1 PHE A 75 180.487 2.422 2.174 1.00 0.00 C ATOM 1207 CE2 PHE A 75 180.499 0.049 2.472 1.00 0.00 C ATOM 1208 CZ PHE A 75 180.193 1.312 2.941 1.00 0.00 C ATOM 0 H PHE A 75 180.368 -0.391 -2.245 1.00 0.00 H new ATOM 0 HA PHE A 75 180.672 2.321 -1.627 1.00 0.00 H new ATOM 0 HB2 PHE A 75 182.148 -0.227 -1.107 1.00 0.00 H new ATOM 0 HB3 PHE A 75 183.046 1.258 -0.861 1.00 0.00 H new ATOM 0 HD1 PHE A 75 181.311 3.137 0.341 1.00 0.00 H new ATOM 0 HD2 PHE A 75 181.330 -1.090 0.871 1.00 0.00 H new ATOM 0 HE1 PHE A 75 180.251 3.410 2.540 1.00 0.00 H new ATOM 0 HE2 PHE A 75 180.273 -0.820 3.072 1.00 0.00 H new ATOM 0 HZ PHE A 75 179.724 1.431 3.907 1.00 0.00 H new ATOM 1218 N SER A 76 182.708 1.195 -3.968 1.00 0.00 N ATOM 1219 CA SER A 76 183.638 1.612 -5.017 1.00 0.00 C ATOM 1220 C SER A 76 182.988 2.640 -5.941 1.00 0.00 C ATOM 1221 O SER A 76 183.602 3.652 -6.285 1.00 0.00 O ATOM 1222 CB SER A 76 184.113 0.404 -5.833 1.00 0.00 C ATOM 1223 OG SER A 76 185.217 -0.233 -5.212 1.00 0.00 O ATOM 0 H SER A 76 182.468 0.204 -3.987 1.00 0.00 H new ATOM 0 HA SER A 76 184.501 2.071 -4.535 1.00 0.00 H new ATOM 0 HB2 SER A 76 183.295 -0.307 -5.944 1.00 0.00 H new ATOM 0 HB3 SER A 76 184.393 0.727 -6.836 1.00 0.00 H new ATOM 0 HG SER A 76 185.498 -1.001 -5.752 1.00 0.00 H new ATOM 1229 N ASN A 77 181.741 2.379 -6.336 1.00 0.00 N ATOM 1230 CA ASN A 77 181.008 3.288 -7.215 1.00 0.00 C ATOM 1231 C ASN A 77 180.614 4.562 -6.474 1.00 0.00 C ATOM 1232 O ASN A 77 180.693 5.660 -7.027 1.00 0.00 O ATOM 1233 CB ASN A 77 179.758 2.603 -7.778 1.00 0.00 C ATOM 1234 CG ASN A 77 180.093 1.484 -8.748 1.00 0.00 C ATOM 1235 OD1 ASN A 77 181.233 1.352 -9.194 1.00 0.00 O ATOM 1236 ND2 ASN A 77 179.097 0.671 -9.085 1.00 0.00 N ATOM 0 H ASN A 77 181.219 1.547 -6.061 1.00 0.00 H new ATOM 0 HA ASN A 77 181.666 3.557 -8.042 1.00 0.00 H new ATOM 0 HB2 ASN A 77 179.167 2.201 -6.955 1.00 0.00 H new ATOM 0 HB3 ASN A 77 179.139 3.344 -8.283 1.00 0.00 H new ATOM 0 HD21 ASN A 77 179.263 -0.097 -9.736 1.00 0.00 H new ATOM 0 HD22 ASN A 77 178.166 0.815 -8.693 1.00 0.00 H new ATOM 1243 N CYS A 78 180.194 4.409 -5.216 1.00 0.00 N ATOM 1244 CA CYS A 78 179.792 5.548 -4.393 1.00 0.00 C ATOM 1245 C CYS A 78 180.954 6.522 -4.199 1.00 0.00 C ATOM 1246 O CYS A 78 180.760 7.737 -4.197 1.00 0.00 O ATOM 1247 CB CYS A 78 179.277 5.072 -3.032 1.00 0.00 C ATOM 1248 SG CYS A 78 177.896 6.042 -2.385 1.00 0.00 S ATOM 0 H CYS A 78 180.124 3.506 -4.746 1.00 0.00 H new ATOM 0 HA CYS A 78 178.988 6.069 -4.914 1.00 0.00 H new ATOM 0 HB2 CYS A 78 178.967 4.030 -3.117 1.00 0.00 H new ATOM 0 HB3 CYS A 78 180.097 5.103 -2.314 1.00 0.00 H new ATOM 0 HG CYS A 78 178.210 7.303 -2.394 1.00 0.00 H new ATOM 1254 N TYR A 79 182.161 5.979 -4.041 1.00 0.00 N ATOM 1255 CA TYR A 79 183.355 6.802 -3.851 1.00 0.00 C ATOM 1256 C TYR A 79 183.631 7.662 -5.084 1.00 0.00 C ATOM 1257 O TYR A 79 184.004 8.829 -4.961 1.00 0.00 O ATOM 1258 CB TYR A 79 184.571 5.922 -3.539 1.00 0.00 C ATOM 1259 CG TYR A 79 185.606 6.601 -2.667 1.00 0.00 C ATOM 1260 CD1 TYR A 79 185.305 6.982 -1.364 1.00 0.00 C ATOM 1261 CD2 TYR A 79 186.885 6.858 -3.146 1.00 0.00 C ATOM 1262 CE1 TYR A 79 186.249 7.599 -0.565 1.00 0.00 C ATOM 1263 CE2 TYR A 79 187.833 7.475 -2.353 1.00 0.00 C ATOM 1264 CZ TYR A 79 187.511 7.844 -1.064 1.00 0.00 C ATOM 1265 OH TYR A 79 188.453 8.456 -0.269 1.00 0.00 O ATOM 0 H TYR A 79 182.338 4.974 -4.041 1.00 0.00 H new ATOM 0 HA TYR A 79 183.173 7.465 -3.005 1.00 0.00 H new ATOM 0 HB2 TYR A 79 184.232 5.012 -3.044 1.00 0.00 H new ATOM 0 HB3 TYR A 79 185.040 5.620 -4.476 1.00 0.00 H new ATOM 0 HD1 TYR A 79 184.317 6.793 -0.970 1.00 0.00 H new ATOM 0 HD2 TYR A 79 187.142 6.571 -4.155 1.00 0.00 H new ATOM 0 HE1 TYR A 79 185.999 7.888 0.445 1.00 0.00 H new ATOM 0 HE2 TYR A 79 188.822 7.668 -2.741 1.00 0.00 H new ATOM 0 HH TYR A 79 189.290 8.555 -0.770 1.00 0.00 H new ATOM 1275 N LYS A 80 183.438 7.083 -6.270 1.00 0.00 N ATOM 1276 CA LYS A 80 183.659 7.804 -7.521 1.00 0.00 C ATOM 1277 C LYS A 80 182.522 8.791 -7.789 1.00 0.00 C ATOM 1278 O LYS A 80 182.751 9.882 -8.313 1.00 0.00 O ATOM 1279 CB LYS A 80 183.789 6.823 -8.690 1.00 0.00 C ATOM 1280 CG LYS A 80 184.313 7.463 -9.967 1.00 0.00 C ATOM 1281 CD LYS A 80 184.537 6.434 -11.064 1.00 0.00 C ATOM 1282 CE LYS A 80 183.446 6.496 -12.122 1.00 0.00 C ATOM 1283 NZ LYS A 80 183.380 5.246 -12.927 1.00 0.00 N ATOM 0 H LYS A 80 183.130 6.118 -6.389 1.00 0.00 H new ATOM 0 HA LYS A 80 184.589 8.365 -7.427 1.00 0.00 H new ATOM 0 HB2 LYS A 80 184.456 6.012 -8.400 1.00 0.00 H new ATOM 0 HB3 LYS A 80 182.814 6.378 -8.890 1.00 0.00 H new ATOM 0 HG2 LYS A 80 183.605 8.215 -10.314 1.00 0.00 H new ATOM 0 HG3 LYS A 80 185.249 7.980 -9.757 1.00 0.00 H new ATOM 0 HD2 LYS A 80 185.507 6.604 -11.531 1.00 0.00 H new ATOM 0 HD3 LYS A 80 184.564 5.436 -10.627 1.00 0.00 H new ATOM 0 HE2 LYS A 80 182.483 6.669 -11.641 1.00 0.00 H new ATOM 0 HE3 LYS A 80 183.629 7.344 -12.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 182.760 5.395 -13.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 184.334 4.993 -13.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 183.000 4.475 -12.341 1.00 0.00 H new ATOM 1297 N TYR A 81 181.299 8.402 -7.423 1.00 0.00 N ATOM 1298 CA TYR A 81 180.130 9.256 -7.621 1.00 0.00 C ATOM 1299 C TYR A 81 180.176 10.475 -6.698 1.00 0.00 C ATOM 1300 O TYR A 81 179.747 11.565 -7.081 1.00 0.00 O ATOM 1301 CB TYR A 81 178.840 8.464 -7.379 1.00 0.00 C ATOM 1302 CG TYR A 81 178.236 7.886 -8.642 1.00 0.00 C ATOM 1303 CD1 TYR A 81 177.866 8.708 -9.700 1.00 0.00 C ATOM 1304 CD2 TYR A 81 178.035 6.517 -8.775 1.00 0.00 C ATOM 1305 CE1 TYR A 81 177.314 8.183 -10.852 1.00 0.00 C ATOM 1306 CE2 TYR A 81 177.484 5.986 -9.925 1.00 0.00 C ATOM 1307 CZ TYR A 81 177.125 6.822 -10.960 1.00 0.00 C ATOM 1308 OH TYR A 81 176.574 6.294 -12.106 1.00 0.00 O ATOM 0 H TYR A 81 181.094 7.502 -6.989 1.00 0.00 H new ATOM 0 HA TYR A 81 180.143 9.606 -8.653 1.00 0.00 H new ATOM 0 HB2 TYR A 81 179.047 7.653 -6.681 1.00 0.00 H new ATOM 0 HB3 TYR A 81 178.108 9.115 -6.902 1.00 0.00 H new ATOM 0 HD1 TYR A 81 178.013 9.775 -9.620 1.00 0.00 H new ATOM 0 HD2 TYR A 81 178.314 5.858 -7.966 1.00 0.00 H new ATOM 0 HE1 TYR A 81 177.032 8.836 -11.665 1.00 0.00 H new ATOM 0 HE2 TYR A 81 177.335 4.920 -10.013 1.00 0.00 H new ATOM 0 HH TYR A 81 175.657 6.624 -12.211 1.00 0.00 H new ATOM 1318 N ASN A 82 180.700 10.288 -5.484 1.00 0.00 N ATOM 1319 CA ASN A 82 180.801 11.379 -4.515 1.00 0.00 C ATOM 1320 C ASN A 82 182.037 12.238 -4.787 1.00 0.00 C ATOM 1321 O ASN A 82 183.118 11.714 -5.058 1.00 0.00 O ATOM 1322 CB ASN A 82 180.855 10.829 -3.086 1.00 0.00 C ATOM 1323 CG ASN A 82 179.476 10.564 -2.511 1.00 0.00 C ATOM 1324 OD1 ASN A 82 179.114 9.420 -2.238 1.00 0.00 O ATOM 1325 ND2 ASN A 82 178.699 11.625 -2.319 1.00 0.00 N ATOM 0 H ASN A 82 181.060 9.394 -5.151 1.00 0.00 H new ATOM 0 HA ASN A 82 179.913 12.002 -4.621 1.00 0.00 H new ATOM 0 HB2 ASN A 82 181.432 9.904 -3.078 1.00 0.00 H new ATOM 0 HB3 ASN A 82 181.381 11.538 -2.447 1.00 0.00 H new ATOM 0 HD21 ASN A 82 177.763 11.508 -1.931 1.00 0.00 H new ATOM 0 HD22 ASN A 82 179.039 12.556 -2.559 1.00 0.00 H new ATOM 1332 N PRO A 83 181.891 13.577 -4.713 1.00 0.00 N ATOM 1333 CA PRO A 83 182.999 14.510 -4.950 1.00 0.00 C ATOM 1334 C PRO A 83 183.963 14.581 -3.766 1.00 0.00 C ATOM 1335 O PRO A 83 183.536 14.736 -2.622 1.00 0.00 O ATOM 1336 CB PRO A 83 182.286 15.849 -5.140 1.00 0.00 C ATOM 1337 CG PRO A 83 181.046 15.731 -4.323 1.00 0.00 C ATOM 1338 CD PRO A 83 180.634 14.285 -4.393 1.00 0.00 C ATOM 0 HA PRO A 83 183.616 14.211 -5.798 1.00 0.00 H new ATOM 0 HB2 PRO A 83 182.906 16.680 -4.803 1.00 0.00 H new ATOM 0 HB3 PRO A 83 182.054 16.030 -6.190 1.00 0.00 H new ATOM 0 HG2 PRO A 83 181.229 16.034 -3.292 1.00 0.00 H new ATOM 0 HG3 PRO A 83 180.260 16.379 -4.712 1.00 0.00 H new ATOM 0 HD2 PRO A 83 180.211 13.943 -3.448 1.00 0.00 H new ATOM 0 HD3 PRO A 83 179.876 14.121 -5.159 1.00 0.00 H new ATOM 1346 N PRO A 84 185.282 14.469 -4.023 1.00 0.00 N ATOM 1347 CA PRO A 84 186.303 14.521 -2.965 1.00 0.00 C ATOM 1348 C PRO A 84 186.237 15.812 -2.150 1.00 0.00 C ATOM 1349 O PRO A 84 185.888 16.870 -2.676 1.00 0.00 O ATOM 1350 CB PRO A 84 187.627 14.446 -3.731 1.00 0.00 C ATOM 1351 CG PRO A 84 187.280 13.827 -5.041 1.00 0.00 C ATOM 1352 CD PRO A 84 185.883 14.280 -5.356 1.00 0.00 C ATOM 0 HA PRO A 84 186.168 13.718 -2.241 1.00 0.00 H new ATOM 0 HB2 PRO A 84 188.062 15.436 -3.865 1.00 0.00 H new ATOM 0 HB3 PRO A 84 188.361 13.846 -3.193 1.00 0.00 H new ATOM 0 HG2 PRO A 84 187.977 14.142 -5.818 1.00 0.00 H new ATOM 0 HG3 PRO A 84 187.334 12.740 -4.985 1.00 0.00 H new ATOM 0 HD2 PRO A 84 185.880 15.204 -5.934 1.00 0.00 H new ATOM 0 HD3 PRO A 84 185.341 13.537 -5.941 1.00 0.00 H new ATOM 1360 N ASP A 85 186.578 15.710 -0.863 1.00 0.00 N ATOM 1361 CA ASP A 85 186.566 16.858 0.045 1.00 0.00 C ATOM 1362 C ASP A 85 185.150 17.424 0.212 1.00 0.00 C ATOM 1363 O ASP A 85 184.941 18.637 0.146 1.00 0.00 O ATOM 1364 CB ASP A 85 187.524 17.948 -0.454 1.00 0.00 C ATOM 1365 CG ASP A 85 187.907 18.928 0.639 1.00 0.00 C ATOM 1366 OD1 ASP A 85 188.392 18.477 1.699 1.00 0.00 O ATOM 1367 OD2 ASP A 85 187.722 20.147 0.437 1.00 0.00 O ATOM 0 H ASP A 85 186.868 14.836 -0.424 1.00 0.00 H new ATOM 0 HA ASP A 85 186.905 16.514 1.022 1.00 0.00 H new ATOM 0 HB2 ASP A 85 188.425 17.481 -0.851 1.00 0.00 H new ATOM 0 HB3 ASP A 85 187.057 18.490 -1.276 1.00 0.00 H new ATOM 1372 N HIS A 86 184.182 16.534 0.433 1.00 0.00 N ATOM 1373 CA HIS A 86 182.791 16.936 0.613 1.00 0.00 C ATOM 1374 C HIS A 86 182.215 16.332 1.894 1.00 0.00 C ATOM 1375 O HIS A 86 182.604 15.235 2.301 1.00 0.00 O ATOM 1376 CB HIS A 86 181.961 16.495 -0.595 1.00 0.00 C ATOM 1377 CG HIS A 86 180.884 17.463 -0.985 1.00 0.00 C ATOM 1378 ND1 HIS A 86 179.802 17.759 -0.181 1.00 0.00 N ATOM 1379 CD2 HIS A 86 180.724 18.199 -2.111 1.00 0.00 C ATOM 1380 CE1 HIS A 86 179.024 18.632 -0.796 1.00 0.00 C ATOM 1381 NE2 HIS A 86 179.562 18.915 -1.968 1.00 0.00 N ATOM 0 H HIS A 86 184.339 15.528 0.491 1.00 0.00 H new ATOM 0 HA HIS A 86 182.752 18.022 0.698 1.00 0.00 H new ATOM 0 HB2 HIS A 86 182.627 16.347 -1.445 1.00 0.00 H new ATOM 0 HB3 HIS A 86 181.505 15.530 -0.376 1.00 0.00 H new ATOM 0 HD2 HIS A 86 181.388 18.219 -2.963 1.00 0.00 H new ATOM 0 HE1 HIS A 86 178.105 19.044 -0.406 1.00 0.00 H new ATOM 0 HE2 HIS A 86 179.176 19.562 -2.656 1.00 0.00 H new ATOM 1390 N GLU A 87 181.289 17.055 2.524 1.00 0.00 N ATOM 1391 CA GLU A 87 180.656 16.593 3.761 1.00 0.00 C ATOM 1392 C GLU A 87 179.995 15.226 3.575 1.00 0.00 C ATOM 1393 O GLU A 87 180.127 14.345 4.426 1.00 0.00 O ATOM 1394 CB GLU A 87 179.616 17.611 4.237 1.00 0.00 C ATOM 1395 CG GLU A 87 179.773 18.001 5.697 1.00 0.00 C ATOM 1396 CD GLU A 87 178.661 17.452 6.569 1.00 0.00 C ATOM 1397 OE1 GLU A 87 177.546 18.014 6.533 1.00 0.00 O ATOM 1398 OE2 GLU A 87 178.905 16.461 7.288 1.00 0.00 O ATOM 0 H GLU A 87 180.960 17.964 2.198 1.00 0.00 H new ATOM 0 HA GLU A 87 181.437 16.493 4.515 1.00 0.00 H new ATOM 0 HB2 GLU A 87 179.688 18.507 3.620 1.00 0.00 H new ATOM 0 HB3 GLU A 87 178.619 17.198 4.085 1.00 0.00 H new ATOM 0 HG2 GLU A 87 180.732 17.637 6.065 1.00 0.00 H new ATOM 0 HG3 GLU A 87 179.791 19.088 5.779 1.00 0.00 H new ATOM 1405 N VAL A 88 179.284 15.058 2.458 1.00 0.00 N ATOM 1406 CA VAL A 88 178.600 13.801 2.155 1.00 0.00 C ATOM 1407 C VAL A 88 179.582 12.628 2.097 1.00 0.00 C ATOM 1408 O VAL A 88 179.247 11.509 2.492 1.00 0.00 O ATOM 1409 CB VAL A 88 177.827 13.886 0.819 1.00 0.00 C ATOM 1410 CG1 VAL A 88 178.763 14.209 -0.340 1.00 0.00 C ATOM 1411 CG2 VAL A 88 177.066 12.592 0.554 1.00 0.00 C ATOM 0 H VAL A 88 179.167 15.780 1.747 1.00 0.00 H new ATOM 0 HA VAL A 88 177.891 13.629 2.964 1.00 0.00 H new ATOM 0 HB VAL A 88 177.105 14.698 0.901 1.00 0.00 H new ATOM 0 HG11 VAL A 88 178.191 14.262 -1.266 1.00 0.00 H new ATOM 0 HG12 VAL A 88 179.250 15.167 -0.159 1.00 0.00 H new ATOM 0 HG13 VAL A 88 179.519 13.429 -0.425 1.00 0.00 H new ATOM 0 HG21 VAL A 88 176.529 12.673 -0.391 1.00 0.00 H new ATOM 0 HG22 VAL A 88 177.769 11.761 0.502 1.00 0.00 H new ATOM 0 HG23 VAL A 88 176.355 12.416 1.361 1.00 0.00 H new ATOM 1421 N VAL A 89 180.792 12.891 1.605 1.00 0.00 N ATOM 1422 CA VAL A 89 181.819 11.857 1.499 1.00 0.00 C ATOM 1423 C VAL A 89 182.168 11.293 2.874 1.00 0.00 C ATOM 1424 O VAL A 89 182.291 10.079 3.041 1.00 0.00 O ATOM 1425 CB VAL A 89 183.103 12.391 0.830 1.00 0.00 C ATOM 1426 CG1 VAL A 89 184.075 11.254 0.558 1.00 0.00 C ATOM 1427 CG2 VAL A 89 182.772 13.137 -0.456 1.00 0.00 C ATOM 0 H VAL A 89 181.084 13.810 1.274 1.00 0.00 H new ATOM 0 HA VAL A 89 181.405 11.065 0.875 1.00 0.00 H new ATOM 0 HB VAL A 89 183.579 13.093 1.515 1.00 0.00 H new ATOM 0 HG11 VAL A 89 184.974 11.649 0.086 1.00 0.00 H new ATOM 0 HG12 VAL A 89 184.341 10.770 1.498 1.00 0.00 H new ATOM 0 HG13 VAL A 89 183.607 10.526 -0.105 1.00 0.00 H new ATOM 0 HG21 VAL A 89 183.692 13.505 -0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 89 182.269 12.462 -1.149 1.00 0.00 H new ATOM 0 HG23 VAL A 89 182.117 13.979 -0.230 1.00 0.00 H new ATOM 1437 N ALA A 90 182.315 12.182 3.858 1.00 0.00 N ATOM 1438 CA ALA A 90 182.637 11.771 5.222 1.00 0.00 C ATOM 1439 C ALA A 90 181.562 10.839 5.779 1.00 0.00 C ATOM 1440 O ALA A 90 181.865 9.895 6.511 1.00 0.00 O ATOM 1441 CB ALA A 90 182.803 12.988 6.121 1.00 0.00 C ATOM 0 H ALA A 90 182.216 13.190 3.734 1.00 0.00 H new ATOM 0 HA ALA A 90 183.581 11.226 5.197 1.00 0.00 H new ATOM 0 HB1 ALA A 90 183.043 12.663 7.133 1.00 0.00 H new ATOM 0 HB2 ALA A 90 183.610 13.614 5.741 1.00 0.00 H new ATOM 0 HB3 ALA A 90 181.875 13.560 6.134 1.00 0.00 H new ATOM 1447 N MET A 91 180.304 11.106 5.416 1.00 0.00 N ATOM 1448 CA MET A 91 179.181 10.287 5.870 1.00 0.00 C ATOM 1449 C MET A 91 179.311 8.856 5.354 1.00 0.00 C ATOM 1450 O MET A 91 179.136 7.898 6.108 1.00 0.00 O ATOM 1451 CB MET A 91 177.853 10.887 5.400 1.00 0.00 C ATOM 1452 CG MET A 91 177.179 11.769 6.438 1.00 0.00 C ATOM 1453 SD MET A 91 176.528 13.298 5.737 1.00 0.00 S ATOM 1454 CE MET A 91 175.492 12.656 4.424 1.00 0.00 C ATOM 0 H MET A 91 180.040 11.883 4.810 1.00 0.00 H new ATOM 0 HA MET A 91 179.197 10.270 6.960 1.00 0.00 H new ATOM 0 HB2 MET A 91 178.028 11.473 4.497 1.00 0.00 H new ATOM 0 HB3 MET A 91 177.175 10.078 5.128 1.00 0.00 H new ATOM 0 HG2 MET A 91 176.366 11.214 6.907 1.00 0.00 H new ATOM 0 HG3 MET A 91 177.895 12.010 7.223 1.00 0.00 H new ATOM 0 HE1 MET A 91 174.859 13.454 4.037 1.00 0.00 H new ATOM 0 HE2 MET A 91 176.120 12.269 3.621 1.00 0.00 H new ATOM 0 HE3 MET A 91 174.866 11.853 4.814 1.00 0.00 H new ATOM 1464 N ALA A 92 179.624 8.722 4.064 1.00 0.00 N ATOM 1465 CA ALA A 92 179.782 7.410 3.441 1.00 0.00 C ATOM 1466 C ALA A 92 180.952 6.646 4.056 1.00 0.00 C ATOM 1467 O ALA A 92 180.850 5.445 4.314 1.00 0.00 O ATOM 1468 CB ALA A 92 179.976 7.557 1.939 1.00 0.00 C ATOM 0 H ALA A 92 179.773 9.508 3.431 1.00 0.00 H new ATOM 0 HA ALA A 92 178.872 6.838 3.624 1.00 0.00 H new ATOM 0 HB1 ALA A 92 180.092 6.571 1.489 1.00 0.00 H new ATOM 0 HB2 ALA A 92 179.107 8.053 1.507 1.00 0.00 H new ATOM 0 HB3 ALA A 92 180.868 8.152 1.744 1.00 0.00 H new ATOM 1474 N ARG A 93 182.059 7.351 4.295 1.00 0.00 N ATOM 1475 CA ARG A 93 183.247 6.738 4.887 1.00 0.00 C ATOM 1476 C ARG A 93 182.924 6.151 6.261 1.00 0.00 C ATOM 1477 O ARG A 93 183.334 5.033 6.576 1.00 0.00 O ATOM 1478 CB ARG A 93 184.381 7.763 5.004 1.00 0.00 C ATOM 1479 CG ARG A 93 185.124 8.002 3.698 1.00 0.00 C ATOM 1480 CD ARG A 93 185.481 9.469 3.518 1.00 0.00 C ATOM 1481 NE ARG A 93 186.625 9.652 2.626 1.00 0.00 N ATOM 1482 CZ ARG A 93 187.286 10.804 2.486 1.00 0.00 C ATOM 1483 NH1 ARG A 93 186.918 11.883 3.174 1.00 0.00 N ATOM 1484 NH2 ARG A 93 188.317 10.877 1.653 1.00 0.00 N ATOM 0 H ARG A 93 182.157 8.345 4.088 1.00 0.00 H new ATOM 0 HA ARG A 93 183.573 5.930 4.232 1.00 0.00 H new ATOM 0 HB2 ARG A 93 183.969 8.709 5.356 1.00 0.00 H new ATOM 0 HB3 ARG A 93 185.090 7.423 5.759 1.00 0.00 H new ATOM 0 HG2 ARG A 93 186.033 7.401 3.681 1.00 0.00 H new ATOM 0 HG3 ARG A 93 184.507 7.672 2.862 1.00 0.00 H new ATOM 0 HD2 ARG A 93 184.620 10.004 3.117 1.00 0.00 H new ATOM 0 HD3 ARG A 93 185.706 9.909 4.490 1.00 0.00 H new ATOM 0 HE ARG A 93 186.937 8.851 2.077 1.00 0.00 H new ATOM 0 HH11 ARG A 93 186.125 11.834 3.814 1.00 0.00 H new ATOM 0 HH12 ARG A 93 187.429 12.759 3.061 1.00 0.00 H new ATOM 0 HH21 ARG A 93 188.603 10.054 1.122 1.00 0.00 H new ATOM 0 HH22 ARG A 93 188.824 11.756 1.544 1.00 0.00 H new ATOM 1498 N LYS A 94 182.179 6.907 7.070 1.00 0.00 N ATOM 1499 CA LYS A 94 181.793 6.454 8.406 1.00 0.00 C ATOM 1500 C LYS A 94 180.944 5.184 8.327 1.00 0.00 C ATOM 1501 O LYS A 94 181.132 4.255 9.113 1.00 0.00 O ATOM 1502 CB LYS A 94 181.022 7.554 9.143 1.00 0.00 C ATOM 1503 CG LYS A 94 180.852 7.287 10.632 1.00 0.00 C ATOM 1504 CD LYS A 94 180.358 8.520 11.374 1.00 0.00 C ATOM 1505 CE LYS A 94 180.206 8.250 12.863 1.00 0.00 C ATOM 1506 NZ LYS A 94 179.544 9.382 13.570 1.00 0.00 N ATOM 0 H LYS A 94 181.832 7.834 6.823 1.00 0.00 H new ATOM 0 HA LYS A 94 182.703 6.228 8.961 1.00 0.00 H new ATOM 0 HB2 LYS A 94 181.542 8.502 9.010 1.00 0.00 H new ATOM 0 HB3 LYS A 94 180.038 7.664 8.687 1.00 0.00 H new ATOM 0 HG2 LYS A 94 180.146 6.469 10.776 1.00 0.00 H new ATOM 0 HG3 LYS A 94 181.804 6.965 11.055 1.00 0.00 H new ATOM 0 HD2 LYS A 94 181.057 9.342 11.222 1.00 0.00 H new ATOM 0 HD3 LYS A 94 179.400 8.835 10.961 1.00 0.00 H new ATOM 0 HE2 LYS A 94 179.623 7.341 13.009 1.00 0.00 H new ATOM 0 HE3 LYS A 94 181.188 8.073 13.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 178.958 9.012 14.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 180.268 10.021 13.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 178.943 9.905 12.901 1.00 0.00 H new ATOM 1520 N LEU A 95 180.013 5.151 7.370 1.00 0.00 N ATOM 1521 CA LEU A 95 179.140 3.991 7.185 1.00 0.00 C ATOM 1522 C LEU A 95 179.947 2.752 6.792 1.00 0.00 C ATOM 1523 O LEU A 95 179.574 1.627 7.128 1.00 0.00 O ATOM 1524 CB LEU A 95 178.075 4.281 6.121 1.00 0.00 C ATOM 1525 CG LEU A 95 177.107 5.420 6.458 1.00 0.00 C ATOM 1526 CD1 LEU A 95 176.242 5.760 5.254 1.00 0.00 C ATOM 1527 CD2 LEU A 95 176.241 5.050 7.656 1.00 0.00 C ATOM 0 H LEU A 95 179.845 5.913 6.713 1.00 0.00 H new ATOM 0 HA LEU A 95 178.645 3.793 8.136 1.00 0.00 H new ATOM 0 HB2 LEU A 95 178.577 4.518 5.183 1.00 0.00 H new ATOM 0 HB3 LEU A 95 177.497 3.373 5.952 1.00 0.00 H new ATOM 0 HG LEU A 95 177.692 6.302 6.719 1.00 0.00 H new ATOM 0 HD11 LEU A 95 175.561 6.571 5.513 1.00 0.00 H new ATOM 0 HD12 LEU A 95 176.878 6.071 4.425 1.00 0.00 H new ATOM 0 HD13 LEU A 95 175.666 4.882 4.960 1.00 0.00 H new ATOM 0 HD21 LEU A 95 175.560 5.871 7.880 1.00 0.00 H new ATOM 0 HD22 LEU A 95 175.665 4.154 7.426 1.00 0.00 H new ATOM 0 HD23 LEU A 95 176.877 4.860 8.520 1.00 0.00 H new ATOM 1539 N GLN A 96 181.057 2.967 6.084 1.00 0.00 N ATOM 1540 CA GLN A 96 181.923 1.872 5.653 1.00 0.00 C ATOM 1541 C GLN A 96 182.652 1.252 6.843 1.00 0.00 C ATOM 1542 O GLN A 96 182.767 0.030 6.938 1.00 0.00 O ATOM 1543 CB GLN A 96 182.941 2.370 4.624 1.00 0.00 C ATOM 1544 CG GLN A 96 183.650 1.250 3.875 1.00 0.00 C ATOM 1545 CD GLN A 96 185.125 1.154 4.219 1.00 0.00 C ATOM 1546 OE1 GLN A 96 185.607 0.103 4.642 1.00 0.00 O ATOM 1547 NE2 GLN A 96 185.853 2.251 4.036 1.00 0.00 N ATOM 0 H GLN A 96 181.377 3.892 5.797 1.00 0.00 H new ATOM 0 HA GLN A 96 181.295 1.108 5.194 1.00 0.00 H new ATOM 0 HB2 GLN A 96 182.433 3.012 3.904 1.00 0.00 H new ATOM 0 HB3 GLN A 96 183.685 2.985 5.130 1.00 0.00 H new ATOM 0 HG2 GLN A 96 183.165 0.301 4.106 1.00 0.00 H new ATOM 0 HG3 GLN A 96 183.541 1.411 2.802 1.00 0.00 H new ATOM 0 HE21 GLN A 96 185.414 3.101 3.683 1.00 0.00 H new ATOM 0 HE22 GLN A 96 186.851 2.242 4.248 1.00 0.00 H new ATOM 1556 N ASP A 97 183.144 2.102 7.747 1.00 0.00 N ATOM 1557 CA ASP A 97 183.865 1.637 8.932 1.00 0.00 C ATOM 1558 C ASP A 97 182.976 0.750 9.803 1.00 0.00 C ATOM 1559 O ASP A 97 183.395 -0.323 10.239 1.00 0.00 O ATOM 1560 CB ASP A 97 184.381 2.828 9.747 1.00 0.00 C ATOM 1561 CG ASP A 97 185.327 2.408 10.857 1.00 0.00 C ATOM 1562 OD1 ASP A 97 186.415 1.882 10.542 1.00 0.00 O ATOM 1563 OD2 ASP A 97 184.979 2.606 12.040 1.00 0.00 O ATOM 0 H ASP A 97 183.056 3.116 7.680 1.00 0.00 H new ATOM 0 HA ASP A 97 184.715 1.044 8.596 1.00 0.00 H new ATOM 0 HB2 ASP A 97 184.893 3.524 9.082 1.00 0.00 H new ATOM 0 HB3 ASP A 97 183.535 3.363 10.178 1.00 0.00 H new ATOM 1568 N VAL A 98 181.745 1.204 10.051 1.00 0.00 N ATOM 1569 CA VAL A 98 180.798 0.444 10.865 1.00 0.00 C ATOM 1570 C VAL A 98 180.387 -0.852 10.162 1.00 0.00 C ATOM 1571 O VAL A 98 180.316 -1.910 10.790 1.00 0.00 O ATOM 1572 CB VAL A 98 179.539 1.275 11.214 1.00 0.00 C ATOM 1573 CG1 VAL A 98 178.789 1.697 9.958 1.00 0.00 C ATOM 1574 CG2 VAL A 98 178.627 0.495 12.152 1.00 0.00 C ATOM 0 H VAL A 98 181.383 2.091 9.701 1.00 0.00 H new ATOM 0 HA VAL A 98 181.309 0.197 11.796 1.00 0.00 H new ATOM 0 HB VAL A 98 179.866 2.181 11.724 1.00 0.00 H new ATOM 0 HG11 VAL A 98 177.910 2.279 10.237 1.00 0.00 H new ATOM 0 HG12 VAL A 98 179.442 2.304 9.331 1.00 0.00 H new ATOM 0 HG13 VAL A 98 178.477 0.811 9.406 1.00 0.00 H new ATOM 0 HG21 VAL A 98 177.747 1.095 12.386 1.00 0.00 H new ATOM 0 HG22 VAL A 98 178.316 -0.432 11.670 1.00 0.00 H new ATOM 0 HG23 VAL A 98 179.164 0.263 13.072 1.00 0.00 H new ATOM 1584 N PHE A 99 180.123 -0.764 8.855 1.00 0.00 N ATOM 1585 CA PHE A 99 179.726 -1.932 8.071 1.00 0.00 C ATOM 1586 C PHE A 99 180.847 -2.966 8.030 1.00 0.00 C ATOM 1587 O PHE A 99 180.622 -4.140 8.320 1.00 0.00 O ATOM 1588 CB PHE A 99 179.341 -1.525 6.645 1.00 0.00 C ATOM 1589 CG PHE A 99 177.864 -1.609 6.378 1.00 0.00 C ATOM 1590 CD1 PHE A 99 176.979 -0.770 7.037 1.00 0.00 C ATOM 1591 CD2 PHE A 99 177.361 -2.529 5.471 1.00 0.00 C ATOM 1592 CE1 PHE A 99 175.621 -0.848 6.798 1.00 0.00 C ATOM 1593 CE2 PHE A 99 176.003 -2.612 5.229 1.00 0.00 C ATOM 1594 CZ PHE A 99 175.132 -1.771 5.893 1.00 0.00 C ATOM 0 H PHE A 99 180.178 0.103 8.321 1.00 0.00 H new ATOM 0 HA PHE A 99 178.857 -2.377 8.556 1.00 0.00 H new ATOM 0 HB2 PHE A 99 179.678 -0.505 6.463 1.00 0.00 H new ATOM 0 HB3 PHE A 99 179.868 -2.166 5.938 1.00 0.00 H new ATOM 0 HD1 PHE A 99 177.356 -0.047 7.745 1.00 0.00 H new ATOM 0 HD2 PHE A 99 178.038 -3.188 4.948 1.00 0.00 H new ATOM 0 HE1 PHE A 99 174.942 -0.188 7.318 1.00 0.00 H new ATOM 0 HE2 PHE A 99 175.623 -3.334 4.521 1.00 0.00 H new ATOM 0 HZ PHE A 99 174.070 -1.834 5.705 1.00 0.00 H new ATOM 1604 N GLU A 100 182.054 -2.523 7.672 1.00 0.00 N ATOM 1605 CA GLU A 100 183.208 -3.417 7.600 1.00 0.00 C ATOM 1606 C GLU A 100 183.441 -4.111 8.940 1.00 0.00 C ATOM 1607 O GLU A 100 183.726 -5.307 8.984 1.00 0.00 O ATOM 1608 CB GLU A 100 184.466 -2.646 7.185 1.00 0.00 C ATOM 1609 CG GLU A 100 185.378 -3.425 6.250 1.00 0.00 C ATOM 1610 CD GLU A 100 186.266 -4.412 6.985 1.00 0.00 C ATOM 1611 OE1 GLU A 100 187.114 -3.966 7.787 1.00 0.00 O ATOM 1612 OE2 GLU A 100 186.114 -5.631 6.758 1.00 0.00 O ATOM 0 H GLU A 100 182.256 -1.553 7.428 1.00 0.00 H new ATOM 0 HA GLU A 100 182.997 -4.176 6.846 1.00 0.00 H new ATOM 0 HB2 GLU A 100 184.168 -1.717 6.698 1.00 0.00 H new ATOM 0 HB3 GLU A 100 185.025 -2.372 8.079 1.00 0.00 H new ATOM 0 HG2 GLU A 100 184.771 -3.962 5.521 1.00 0.00 H new ATOM 0 HG3 GLU A 100 186.002 -2.726 5.693 1.00 0.00 H new ATOM 1619 N MET A 101 183.311 -3.356 10.032 1.00 0.00 N ATOM 1620 CA MET A 101 183.502 -3.906 11.372 1.00 0.00 C ATOM 1621 C MET A 101 182.445 -4.966 11.686 1.00 0.00 C ATOM 1622 O MET A 101 182.770 -6.056 12.156 1.00 0.00 O ATOM 1623 CB MET A 101 183.451 -2.791 12.422 1.00 0.00 C ATOM 1624 CG MET A 101 184.817 -2.395 12.958 1.00 0.00 C ATOM 1625 SD MET A 101 185.210 -3.197 14.525 1.00 0.00 S ATOM 1626 CE MET A 101 185.366 -4.904 14.005 1.00 0.00 C ATOM 0 H MET A 101 183.075 -2.364 10.014 1.00 0.00 H new ATOM 0 HA MET A 101 184.484 -4.378 11.403 1.00 0.00 H new ATOM 0 HB2 MET A 101 182.974 -1.914 11.985 1.00 0.00 H new ATOM 0 HB3 MET A 101 182.824 -3.115 13.253 1.00 0.00 H new ATOM 0 HG2 MET A 101 185.579 -2.651 12.222 1.00 0.00 H new ATOM 0 HG3 MET A 101 184.851 -1.314 13.090 1.00 0.00 H new ATOM 0 HE1 MET A 101 185.892 -5.472 14.773 1.00 0.00 H new ATOM 0 HE2 MET A 101 184.374 -5.330 13.854 1.00 0.00 H new ATOM 0 HE3 MET A 101 185.927 -4.950 13.071 1.00 0.00 H new ATOM 1636 N ARG A 102 181.178 -4.638 11.422 1.00 0.00 N ATOM 1637 CA ARG A 102 180.072 -5.561 11.678 1.00 0.00 C ATOM 1638 C ARG A 102 180.142 -6.780 10.756 1.00 0.00 C ATOM 1639 O ARG A 102 179.952 -7.912 11.202 1.00 0.00 O ATOM 1640 CB ARG A 102 178.726 -4.846 11.507 1.00 0.00 C ATOM 1641 CG ARG A 102 177.874 -4.846 12.768 1.00 0.00 C ATOM 1642 CD ARG A 102 177.175 -3.508 12.982 1.00 0.00 C ATOM 1643 NE ARG A 102 175.791 -3.675 13.428 1.00 0.00 N ATOM 1644 CZ ARG A 102 175.441 -4.202 14.607 1.00 0.00 C ATOM 1645 NH1 ARG A 102 176.372 -4.583 15.480 1.00 0.00 N ATOM 1646 NH2 ARG A 102 174.156 -4.338 14.918 1.00 0.00 N ATOM 0 H ARG A 102 180.893 -3.740 11.031 1.00 0.00 H new ATOM 0 HA ARG A 102 180.160 -5.909 12.707 1.00 0.00 H new ATOM 0 HB2 ARG A 102 178.907 -3.816 11.201 1.00 0.00 H new ATOM 0 HB3 ARG A 102 178.169 -5.325 10.702 1.00 0.00 H new ATOM 0 HG2 ARG A 102 177.129 -5.639 12.702 1.00 0.00 H new ATOM 0 HG3 ARG A 102 178.502 -5.070 13.630 1.00 0.00 H new ATOM 0 HD2 ARG A 102 177.726 -2.926 13.721 1.00 0.00 H new ATOM 0 HD3 ARG A 102 177.190 -2.939 12.052 1.00 0.00 H new ATOM 0 HE ARG A 102 175.047 -3.371 12.801 1.00 0.00 H new ATOM 0 HH11 ARG A 102 177.360 -4.474 15.252 1.00 0.00 H new ATOM 0 HH12 ARG A 102 176.097 -4.984 16.377 1.00 0.00 H new ATOM 0 HH21 ARG A 102 173.437 -4.041 14.258 1.00 0.00 H new ATOM 0 HH22 ARG A 102 173.889 -4.740 15.817 1.00 0.00 H new ATOM 1660 N PHE A 103 180.416 -6.543 9.472 1.00 0.00 N ATOM 1661 CA PHE A 103 180.510 -7.627 8.492 1.00 0.00 C ATOM 1662 C PHE A 103 181.696 -8.541 8.805 1.00 0.00 C ATOM 1663 O PHE A 103 181.550 -9.763 8.850 1.00 0.00 O ATOM 1664 CB PHE A 103 180.642 -7.062 7.071 1.00 0.00 C ATOM 1665 CG PHE A 103 179.500 -7.439 6.166 1.00 0.00 C ATOM 1666 CD1 PHE A 103 178.287 -6.772 6.243 1.00 0.00 C ATOM 1667 CD2 PHE A 103 179.640 -8.462 5.241 1.00 0.00 C ATOM 1668 CE1 PHE A 103 177.235 -7.120 5.416 1.00 0.00 C ATOM 1669 CE2 PHE A 103 178.592 -8.812 4.410 1.00 0.00 C ATOM 1670 CZ PHE A 103 177.388 -8.142 4.499 1.00 0.00 C ATOM 0 H PHE A 103 180.576 -5.612 9.087 1.00 0.00 H new ATOM 0 HA PHE A 103 179.594 -8.214 8.552 1.00 0.00 H new ATOM 0 HB2 PHE A 103 180.708 -5.975 7.125 1.00 0.00 H new ATOM 0 HB3 PHE A 103 181.575 -7.417 6.633 1.00 0.00 H new ATOM 0 HD1 PHE A 103 178.162 -5.971 6.957 1.00 0.00 H new ATOM 0 HD2 PHE A 103 180.578 -8.992 5.169 1.00 0.00 H new ATOM 0 HE1 PHE A 103 176.295 -6.593 5.487 1.00 0.00 H new ATOM 0 HE2 PHE A 103 178.715 -9.609 3.692 1.00 0.00 H new ATOM 0 HZ PHE A 103 176.567 -8.416 3.853 1.00 0.00 H new ATOM 1680 N ALA A 104 182.867 -7.937 9.025 1.00 0.00 N ATOM 1681 CA ALA A 104 184.081 -8.688 9.342 1.00 0.00 C ATOM 1682 C ALA A 104 183.899 -9.512 10.610 1.00 0.00 C ATOM 1683 O ALA A 104 184.313 -10.668 10.669 1.00 0.00 O ATOM 1684 CB ALA A 104 185.267 -7.746 9.496 1.00 0.00 C ATOM 0 H ALA A 104 182.998 -6.926 8.989 1.00 0.00 H new ATOM 0 HA ALA A 104 184.278 -9.370 8.515 1.00 0.00 H new ATOM 0 HB1 ALA A 104 186.161 -8.323 9.732 1.00 0.00 H new ATOM 0 HB2 ALA A 104 185.422 -7.201 8.565 1.00 0.00 H new ATOM 0 HB3 ALA A 104 185.068 -7.039 10.302 1.00 0.00 H new ATOM 1690 N LYS A 105 183.273 -8.912 11.621 1.00 0.00 N ATOM 1691 CA LYS A 105 183.032 -9.598 12.888 1.00 0.00 C ATOM 1692 C LYS A 105 182.048 -10.756 12.704 1.00 0.00 C ATOM 1693 O LYS A 105 182.245 -11.840 13.256 1.00 0.00 O ATOM 1694 CB LYS A 105 182.501 -8.614 13.937 1.00 0.00 C ATOM 1695 CG LYS A 105 182.791 -9.036 15.369 1.00 0.00 C ATOM 1696 CD LYS A 105 182.728 -7.854 16.326 1.00 0.00 C ATOM 1697 CE LYS A 105 182.106 -8.249 17.658 1.00 0.00 C ATOM 1698 NZ LYS A 105 182.949 -9.229 18.403 1.00 0.00 N ATOM 0 H LYS A 105 182.924 -7.954 11.587 1.00 0.00 H new ATOM 0 HA LYS A 105 183.980 -10.006 13.237 1.00 0.00 H new ATOM 0 HB2 LYS A 105 182.942 -7.633 13.760 1.00 0.00 H new ATOM 0 HB3 LYS A 105 181.424 -8.506 13.810 1.00 0.00 H new ATOM 0 HG2 LYS A 105 182.071 -9.794 15.678 1.00 0.00 H new ATOM 0 HG3 LYS A 105 183.779 -9.494 15.421 1.00 0.00 H new ATOM 0 HD2 LYS A 105 183.733 -7.465 16.493 1.00 0.00 H new ATOM 0 HD3 LYS A 105 182.146 -7.050 15.875 1.00 0.00 H new ATOM 0 HE2 LYS A 105 181.962 -7.358 18.269 1.00 0.00 H new ATOM 0 HE3 LYS A 105 181.120 -8.679 17.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 182.488 -9.470 19.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 183.066 -10.091 17.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 183.882 -8.810 18.593 1.00 0.00 H new ATOM 1712 N MET A 106 180.991 -10.521 11.922 1.00 0.00 N ATOM 1713 CA MET A 106 179.981 -11.547 11.663 1.00 0.00 C ATOM 1714 C MET A 106 180.559 -12.688 10.825 1.00 0.00 C ATOM 1715 O MET A 106 180.321 -13.861 11.112 1.00 0.00 O ATOM 1716 CB MET A 106 178.769 -10.941 10.944 1.00 0.00 C ATOM 1717 CG MET A 106 177.469 -11.080 11.720 1.00 0.00 C ATOM 1718 SD MET A 106 176.988 -12.802 11.974 1.00 0.00 S ATOM 1719 CE MET A 106 177.117 -13.452 10.309 1.00 0.00 C ATOM 0 H MET A 106 180.814 -9.630 11.458 1.00 0.00 H new ATOM 0 HA MET A 106 179.662 -11.948 12.625 1.00 0.00 H new ATOM 0 HB2 MET A 106 178.959 -9.884 10.756 1.00 0.00 H new ATOM 0 HB3 MET A 106 178.656 -11.422 9.972 1.00 0.00 H new ATOM 0 HG2 MET A 106 177.575 -10.590 12.688 1.00 0.00 H new ATOM 0 HG3 MET A 106 176.674 -10.560 11.185 1.00 0.00 H new ATOM 0 HE1 MET A 106 176.398 -14.260 10.177 1.00 0.00 H new ATOM 0 HE2 MET A 106 176.907 -12.659 9.591 1.00 0.00 H new ATOM 0 HE3 MET A 106 178.125 -13.833 10.144 1.00 0.00 H new ATOM 1729 N LEU A 107 181.312 -12.334 9.783 1.00 0.00 N ATOM 1730 CA LEU A 107 181.917 -13.326 8.896 1.00 0.00 C ATOM 1731 C LEU A 107 183.109 -14.016 9.553 1.00 0.00 C ATOM 1732 O LEU A 107 183.296 -15.223 9.399 1.00 0.00 O ATOM 1733 CB LEU A 107 182.358 -12.671 7.585 1.00 0.00 C ATOM 1734 CG LEU A 107 181.436 -12.929 6.391 1.00 0.00 C ATOM 1735 CD1 LEU A 107 181.195 -11.641 5.614 1.00 0.00 C ATOM 1736 CD2 LEU A 107 182.021 -14.007 5.486 1.00 0.00 C ATOM 0 H LEU A 107 181.517 -11.367 9.533 1.00 0.00 H new ATOM 0 HA LEU A 107 181.160 -14.082 8.687 1.00 0.00 H new ATOM 0 HB2 LEU A 107 182.433 -11.595 7.741 1.00 0.00 H new ATOM 0 HB3 LEU A 107 183.358 -13.027 7.337 1.00 0.00 H new ATOM 0 HG LEU A 107 180.476 -13.285 6.766 1.00 0.00 H new ATOM 0 HD11 LEU A 107 180.537 -11.844 4.769 1.00 0.00 H new ATOM 0 HD12 LEU A 107 180.729 -10.904 6.268 1.00 0.00 H new ATOM 0 HD13 LEU A 107 182.146 -11.253 5.249 1.00 0.00 H new ATOM 0 HD21 LEU A 107 181.352 -14.177 4.643 1.00 0.00 H new ATOM 0 HD22 LEU A 107 182.994 -13.684 5.117 1.00 0.00 H new ATOM 0 HD23 LEU A 107 182.136 -14.933 6.050 1.00 0.00 H new ATOM 1748 N GLN A 108 183.919 -13.245 10.277 1.00 0.00 N ATOM 1749 CA GLN A 108 185.095 -13.791 10.948 1.00 0.00 C ATOM 1750 C GLN A 108 185.098 -13.426 12.431 1.00 0.00 C ATOM 1751 O GLN A 108 185.203 -12.222 12.748 1.00 0.00 O ATOM 1752 CB GLN A 108 186.374 -13.281 10.275 1.00 0.00 C ATOM 1753 CG GLN A 108 186.655 -13.929 8.927 1.00 0.00 C ATOM 1754 CD GLN A 108 187.795 -14.929 8.981 1.00 0.00 C ATOM 1755 OE1 GLN A 108 188.957 -14.570 8.797 1.00 0.00 O ATOM 1756 NE2 GLN A 108 187.468 -16.192 9.231 1.00 0.00 N ATOM 0 H GLN A 108 183.782 -12.243 10.413 1.00 0.00 H new ATOM 0 HA GLN A 108 185.059 -14.877 10.865 1.00 0.00 H new ATOM 0 HB2 GLN A 108 186.298 -12.202 10.141 1.00 0.00 H new ATOM 0 HB3 GLN A 108 187.220 -13.461 10.938 1.00 0.00 H new ATOM 0 HG2 GLN A 108 185.754 -14.431 8.576 1.00 0.00 H new ATOM 0 HG3 GLN A 108 186.892 -13.154 8.199 1.00 0.00 H new ATOM 0 HE21 GLN A 108 186.491 -16.446 9.378 1.00 0.00 H new ATOM 0 HE22 GLN A 108 188.194 -16.907 9.276 1.00 0.00 H new