USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 628 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 81 TYR OH : rot 180:sc= 0.923 USER MOD Set 1.2: A 85 GLN : amide:sc= 1.01 K(o=1.9,f=0.17) USER MOD Set 2.1: A 8 CYS SG : rot 60:sc= 0.113 USER MOD Set 2.2: A 11 CYS SG : rot -52:sc= 0.448 USER MOD Set 2.3: A 15 TYR OH : rot -171:sc= 1.01 USER MOD Set 2.4: A 31 CYS SG : rot -55:sc= 0.096 USER MOD Set 2.5: A 34 CYS SG : rot 93:sc= -0.286 USER MOD Set 3.1: A 26 CYS SG : rot 103:sc= 0.268 USER MOD Set 3.2: A 28 CYS SG : rot 46:sc= 1.65 USER MOD Set 3.3: A 53 CYS SG : rot 122:sc= -0.738 USER MOD Set 3.4: A 58 CYS SG : rot 95:sc= 0.179 USER MOD Set 4.1: A 25 GLN : amide:sc= -7.7! K(o=-13!,f=-1.3) USER MOD Set 4.2: A 65 GLN : amide:sc= -5.77! K(o=-13!,f=-3.2) USER MOD Single : A 6 SER OG : rot 124:sc= -5.72! USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.155 K(o=-0.15,f=-2.2!) USER MOD Single : A 20 MET CE :methyl -143:sc= -1.33 (180deg=-1.75) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0608 USER MOD Single : A 27 GLN : amide:sc= -0.583 X(o=-0.58,f=-0.22) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot -164:sc= 0.826 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 15:sc= -0.24 USER MOD Single : A 52 SER OG : rot 180:sc= 0.00793 USER MOD Single : A 60 LYS NZ :NH3+ -141:sc= 0.084 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -7.46! C(o=-7.5!,f=-5.4!) USER MOD Single : A 67 ASN : amide:sc= -3.24! C(o=-3.2!,f=-2.2!) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 171:sc= -0.454 (180deg=-0.717) USER MOD Single : A 78 MET CE :methyl -135:sc= -1.47 (180deg=-2.76!) USER MOD Single : A 79 GLN : amide:sc= -0.453 K(o=-0.45,f=-3.9!) USER MOD Single : A 82 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00787) USER MOD Single : A 83 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.439) USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 6 -11.564 -16.522 -4.267 1.00 0.00 N ATOM 49 CA SER A 6 -10.265 -16.366 -4.913 1.00 0.00 C ATOM 50 C SER A 6 -9.135 -16.739 -3.958 1.00 0.00 C ATOM 51 O SER A 6 -7.992 -16.926 -4.373 1.00 0.00 O ATOM 52 CB SER A 6 -10.083 -14.928 -5.400 1.00 0.00 C ATOM 53 OG SER A 6 -9.092 -14.852 -6.409 1.00 0.00 O ATOM 0 HA SER A 6 -10.230 -17.039 -5.770 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.029 -14.549 -5.786 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.803 -14.290 -4.562 1.00 0.00 H new ATOM 0 HG SER A 6 -9.473 -14.439 -7.212 1.00 0.00 H new ATOM 59 N GLY A 7 -9.464 -16.846 -2.674 1.00 0.00 N ATOM 60 CA GLY A 7 -8.468 -17.196 -1.680 1.00 0.00 C ATOM 61 C GLY A 7 -7.420 -16.115 -1.503 1.00 0.00 C ATOM 62 O GLY A 7 -7.302 -15.212 -2.333 1.00 0.00 O ATOM 0 H GLY A 7 -10.403 -16.696 -2.305 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.961 -17.380 -0.725 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.980 -18.126 -1.971 1.00 0.00 H new ATOM 66 N CYS A 8 -6.658 -16.202 -0.418 1.00 0.00 N ATOM 67 CA CYS A 8 -5.617 -15.222 -0.133 1.00 0.00 C ATOM 68 C CYS A 8 -4.285 -15.911 0.152 1.00 0.00 C ATOM 69 O CYS A 8 -4.243 -16.976 0.768 1.00 0.00 O ATOM 70 CB CYS A 8 -6.019 -14.353 1.061 1.00 0.00 C ATOM 71 SG CYS A 8 -5.028 -12.834 1.241 1.00 0.00 S ATOM 0 H CYS A 8 -6.742 -16.942 0.279 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.498 -14.589 -1.012 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.069 -14.079 0.961 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.929 -14.943 1.973 1.00 0.00 H new ATOM 0 HG CYS A 8 -5.156 -12.103 0.173 1.00 0.00 H new ATOM 76 N LYS A 9 -3.199 -15.295 -0.302 1.00 0.00 N ATOM 77 CA LYS A 9 -1.864 -15.847 -0.096 1.00 0.00 C ATOM 78 C LYS A 9 -1.126 -15.088 1.003 1.00 0.00 C ATOM 79 O LYS A 9 0.060 -15.321 1.242 1.00 0.00 O ATOM 80 CB LYS A 9 -1.060 -15.791 -1.397 1.00 0.00 C ATOM 81 CG LYS A 9 -1.743 -16.484 -2.564 1.00 0.00 C ATOM 82 CD LYS A 9 -1.113 -16.094 -3.890 1.00 0.00 C ATOM 83 CE LYS A 9 0.065 -16.995 -4.231 1.00 0.00 C ATOM 84 NZ LYS A 9 0.273 -17.101 -5.703 1.00 0.00 N ATOM 0 H LYS A 9 -3.216 -14.414 -0.815 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.971 -16.887 0.213 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.881 -14.748 -1.659 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.085 -16.250 -1.232 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.680 -17.564 -2.434 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.802 -16.225 -2.573 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.860 -16.154 -4.681 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.779 -15.057 -3.845 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.969 -16.604 -3.763 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.105 -17.988 -3.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.084 -17.723 -5.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.580 -17.498 -6.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.460 -16.157 -6.096 1.00 0.00 H new ATOM 98 N LEU A 10 -1.834 -14.183 1.669 1.00 0.00 N ATOM 99 CA LEU A 10 -1.246 -13.391 2.744 1.00 0.00 C ATOM 100 C LEU A 10 -1.707 -13.897 4.107 1.00 0.00 C ATOM 101 O LEU A 10 -0.892 -14.301 4.939 1.00 0.00 O ATOM 102 CB LEU A 10 -1.620 -11.917 2.581 1.00 0.00 C ATOM 103 CG LEU A 10 -0.942 -11.175 1.429 1.00 0.00 C ATOM 104 CD1 LEU A 10 -1.515 -9.774 1.285 1.00 0.00 C ATOM 105 CD2 LEU A 10 0.564 -11.119 1.644 1.00 0.00 C ATOM 0 H LEU A 10 -2.816 -13.979 1.484 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.162 -13.493 2.687 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.699 -11.850 2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.383 -11.398 3.510 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.137 -11.721 0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.020 -9.261 0.460 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.584 -9.837 1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.352 -9.218 2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.030 -10.587 0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.779 -10.597 2.576 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.962 -12.132 1.695 1.00 0.00 H new ATOM 117 N CYS A 11 -3.016 -13.875 4.329 1.00 0.00 N ATOM 118 CA CYS A 11 -3.586 -14.333 5.591 1.00 0.00 C ATOM 119 C CYS A 11 -4.115 -15.759 5.462 1.00 0.00 C ATOM 120 O CYS A 11 -4.710 -16.298 6.397 1.00 0.00 O ATOM 121 CB CYS A 11 -4.712 -13.397 6.036 1.00 0.00 C ATOM 122 SG CYS A 11 -6.176 -13.428 4.952 1.00 0.00 S ATOM 0 H CYS A 11 -3.703 -13.545 3.651 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.797 -14.323 6.343 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.016 -13.667 7.047 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.327 -12.378 6.080 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.809 -13.231 3.721 1.00 0.00 H new ATOM 127 N LEU A 12 -3.895 -16.363 4.300 1.00 0.00 N ATOM 128 CA LEU A 12 -4.349 -17.727 4.048 1.00 0.00 C ATOM 129 C LEU A 12 -5.817 -17.891 4.428 1.00 0.00 C ATOM 130 O LEU A 12 -6.212 -18.905 5.000 1.00 0.00 O ATOM 131 CB LEU A 12 -3.494 -18.723 4.834 1.00 0.00 C ATOM 132 CG LEU A 12 -2.066 -18.928 4.325 1.00 0.00 C ATOM 133 CD1 LEU A 12 -2.078 -19.541 2.934 1.00 0.00 C ATOM 134 CD2 LEU A 12 -1.307 -17.609 4.323 1.00 0.00 C ATOM 0 H LEU A 12 -3.405 -15.930 3.517 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.243 -17.928 2.982 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.445 -18.390 5.871 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.001 -19.688 4.832 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.556 -19.617 4.998 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.054 -19.679 2.589 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.584 -20.506 2.966 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.606 -18.878 2.249 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.293 -17.773 3.958 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.816 -16.897 3.673 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.268 -17.210 5.337 1.00 0.00 H new ATOM 146 N GLY A 13 -6.623 -16.883 4.103 1.00 0.00 N ATOM 147 CA GLY A 13 -8.040 -16.936 4.416 1.00 0.00 C ATOM 148 C GLY A 13 -8.911 -16.805 3.182 1.00 0.00 C ATOM 149 O GLY A 13 -8.517 -16.175 2.201 1.00 0.00 O ATOM 0 H GLY A 13 -6.320 -16.032 3.629 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.264 -17.878 4.917 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.285 -16.137 5.116 1.00 0.00 H new ATOM 153 N GLU A 14 -10.097 -17.403 3.231 1.00 0.00 N ATOM 154 CA GLU A 14 -11.025 -17.350 2.107 1.00 0.00 C ATOM 155 C GLU A 14 -11.966 -16.156 2.232 1.00 0.00 C ATOM 156 O GLU A 14 -12.480 -15.869 3.313 1.00 0.00 O ATOM 157 CB GLU A 14 -11.835 -18.646 2.025 1.00 0.00 C ATOM 158 CG GLU A 14 -12.245 -19.020 0.611 1.00 0.00 C ATOM 159 CD GLU A 14 -11.081 -19.524 -0.221 1.00 0.00 C ATOM 160 OE1 GLU A 14 -10.564 -20.618 0.086 1.00 0.00 O ATOM 161 OE2 GLU A 14 -10.687 -18.824 -1.177 1.00 0.00 O ATOM 0 H GLU A 14 -10.438 -17.929 4.036 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.442 -17.235 1.193 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.247 -19.459 2.451 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -12.730 -18.544 2.639 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.017 -19.789 0.652 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -12.686 -18.151 0.123 1.00 0.00 H new ATOM 168 N TYR A 15 -12.186 -15.464 1.120 1.00 0.00 N ATOM 169 CA TYR A 15 -13.062 -14.299 1.106 1.00 0.00 C ATOM 170 C TYR A 15 -13.679 -14.098 -0.275 1.00 0.00 C ATOM 171 O TYR A 15 -13.089 -14.435 -1.301 1.00 0.00 O ATOM 172 CB TYR A 15 -12.287 -13.047 1.518 1.00 0.00 C ATOM 173 CG TYR A 15 -11.365 -13.265 2.696 1.00 0.00 C ATOM 174 CD1 TYR A 15 -11.810 -13.072 3.997 1.00 0.00 C ATOM 175 CD2 TYR A 15 -10.048 -13.666 2.507 1.00 0.00 C ATOM 176 CE1 TYR A 15 -10.971 -13.269 5.076 1.00 0.00 C ATOM 177 CE2 TYR A 15 -9.201 -13.867 3.580 1.00 0.00 C ATOM 178 CZ TYR A 15 -9.668 -13.667 4.863 1.00 0.00 C ATOM 179 OH TYR A 15 -8.829 -13.866 5.935 1.00 0.00 O ATOM 0 H TYR A 15 -11.770 -15.690 0.217 1.00 0.00 H new ATOM 0 HA TYR A 15 -13.866 -14.472 1.821 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -11.701 -12.697 0.668 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -12.996 -12.256 1.764 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -12.830 -12.762 4.168 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -9.680 -13.823 1.504 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -11.333 -13.112 6.081 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -8.180 -14.179 3.416 1.00 0.00 H new ATOM 0 HH TYR A 15 -7.914 -14.004 5.613 1.00 0.00 H new ATOM 189 N PRO A 16 -14.895 -13.536 -0.302 1.00 0.00 N ATOM 190 CA PRO A 16 -15.621 -13.275 -1.550 1.00 0.00 C ATOM 191 C PRO A 16 -14.979 -12.161 -2.371 1.00 0.00 C ATOM 192 O PRO A 16 -14.356 -11.252 -1.823 1.00 0.00 O ATOM 193 CB PRO A 16 -17.011 -12.854 -1.071 1.00 0.00 C ATOM 194 CG PRO A 16 -16.793 -12.312 0.299 1.00 0.00 C ATOM 195 CD PRO A 16 -15.659 -13.109 0.883 1.00 0.00 C ATOM 0 HA PRO A 16 -15.628 -14.145 -2.207 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -17.445 -12.102 -1.730 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -17.698 -13.700 -1.057 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -16.547 -11.251 0.264 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -17.693 -12.411 0.906 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -15.050 -12.507 1.558 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -16.021 -13.962 1.456 1.00 0.00 H new ATOM 203 N VAL A 17 -15.136 -12.238 -3.688 1.00 0.00 N ATOM 204 CA VAL A 17 -14.574 -11.236 -4.586 1.00 0.00 C ATOM 205 C VAL A 17 -15.001 -9.830 -4.176 1.00 0.00 C ATOM 206 O VAL A 17 -14.408 -8.842 -4.605 1.00 0.00 O ATOM 207 CB VAL A 17 -14.999 -11.485 -6.044 1.00 0.00 C ATOM 208 CG1 VAL A 17 -14.441 -12.808 -6.545 1.00 0.00 C ATOM 209 CG2 VAL A 17 -16.516 -11.456 -6.169 1.00 0.00 C ATOM 0 H VAL A 17 -15.648 -12.985 -4.158 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.490 -11.320 -4.514 1.00 0.00 H new ATOM 0 HB VAL A 17 -14.590 -10.687 -6.664 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -14.752 -12.966 -7.578 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -13.352 -12.787 -6.493 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -14.818 -13.620 -5.924 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -16.799 -11.634 -7.206 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -16.948 -12.232 -5.537 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -16.889 -10.482 -5.853 1.00 0.00 H new ATOM 219 N GLU A 18 -16.033 -9.752 -3.343 1.00 0.00 N ATOM 220 CA GLU A 18 -16.541 -8.467 -2.875 1.00 0.00 C ATOM 221 C GLU A 18 -15.507 -7.758 -2.005 1.00 0.00 C ATOM 222 O GLU A 18 -15.303 -6.550 -2.125 1.00 0.00 O ATOM 223 CB GLU A 18 -17.839 -8.661 -2.088 1.00 0.00 C ATOM 224 CG GLU A 18 -19.080 -8.701 -2.964 1.00 0.00 C ATOM 225 CD GLU A 18 -19.077 -9.871 -3.928 1.00 0.00 C ATOM 226 OE1 GLU A 18 -19.194 -11.024 -3.461 1.00 0.00 O ATOM 227 OE2 GLU A 18 -18.958 -9.635 -5.148 1.00 0.00 O ATOM 0 H GLU A 18 -16.534 -10.562 -2.978 1.00 0.00 H new ATOM 0 HA GLU A 18 -16.744 -7.846 -3.748 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -17.775 -9.589 -1.520 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -17.940 -7.852 -1.365 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -19.965 -8.759 -2.331 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -19.152 -7.771 -3.528 1.00 0.00 H new ATOM 234 N GLN A 19 -14.858 -8.518 -1.129 1.00 0.00 N ATOM 235 CA GLN A 19 -13.846 -7.963 -0.238 1.00 0.00 C ATOM 236 C GLN A 19 -12.444 -8.319 -0.717 1.00 0.00 C ATOM 237 O GLN A 19 -11.569 -8.648 0.083 1.00 0.00 O ATOM 238 CB GLN A 19 -14.056 -8.476 1.188 1.00 0.00 C ATOM 239 CG GLN A 19 -15.425 -8.142 1.760 1.00 0.00 C ATOM 240 CD GLN A 19 -15.890 -9.154 2.789 1.00 0.00 C ATOM 241 OE1 GLN A 19 -15.251 -10.185 2.995 1.00 0.00 O ATOM 242 NE2 GLN A 19 -17.009 -8.863 3.441 1.00 0.00 N ATOM 0 H GLN A 19 -15.015 -9.520 -1.017 1.00 0.00 H new ATOM 0 HA GLN A 19 -13.947 -6.878 -0.246 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.921 -9.558 1.200 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.288 -8.052 1.835 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.392 -7.153 2.217 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -16.152 -8.094 0.949 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -17.507 -7.996 3.238 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -17.371 -9.506 4.145 1.00 0.00 H new ATOM 251 N MET A 20 -12.237 -8.253 -2.028 1.00 0.00 N ATOM 252 CA MET A 20 -10.939 -8.568 -2.614 1.00 0.00 C ATOM 253 C MET A 20 -10.550 -7.530 -3.664 1.00 0.00 C ATOM 254 O MET A 20 -11.392 -6.767 -4.139 1.00 0.00 O ATOM 255 CB MET A 20 -10.965 -9.962 -3.243 1.00 0.00 C ATOM 256 CG MET A 20 -11.363 -11.060 -2.271 1.00 0.00 C ATOM 257 SD MET A 20 -9.985 -11.619 -1.251 1.00 0.00 S ATOM 258 CE MET A 20 -9.420 -13.035 -2.193 1.00 0.00 C ATOM 0 H MET A 20 -12.951 -7.984 -2.705 1.00 0.00 H new ATOM 0 HA MET A 20 -10.194 -8.550 -1.818 1.00 0.00 H new ATOM 0 HB2 MET A 20 -11.662 -9.960 -4.081 1.00 0.00 H new ATOM 0 HB3 MET A 20 -9.979 -10.187 -3.649 1.00 0.00 H new ATOM 0 HG2 MET A 20 -12.163 -10.696 -1.626 1.00 0.00 H new ATOM 0 HG3 MET A 20 -11.763 -11.906 -2.829 1.00 0.00 H new ATOM 0 HE1 MET A 20 -9.101 -13.822 -1.510 1.00 0.00 H new ATOM 0 HE2 MET A 20 -10.233 -13.404 -2.818 1.00 0.00 H new ATOM 0 HE3 MET A 20 -8.582 -12.741 -2.825 1.00 0.00 H new ATOM 268 N THR A 21 -9.270 -7.508 -4.021 1.00 0.00 N ATOM 269 CA THR A 21 -8.770 -6.564 -5.012 1.00 0.00 C ATOM 270 C THR A 21 -7.787 -7.236 -5.964 1.00 0.00 C ATOM 271 O THR A 21 -6.717 -7.687 -5.553 1.00 0.00 O ATOM 272 CB THR A 21 -8.079 -5.361 -4.344 1.00 0.00 C ATOM 273 OG1 THR A 21 -9.005 -4.674 -3.494 1.00 0.00 O ATOM 274 CG2 THR A 21 -7.533 -4.399 -5.389 1.00 0.00 C ATOM 0 H THR A 21 -8.561 -8.133 -3.638 1.00 0.00 H new ATOM 0 HA THR A 21 -9.634 -6.210 -5.575 1.00 0.00 H new ATOM 0 HB THR A 21 -7.246 -5.735 -3.748 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.557 -3.911 -3.072 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.050 -3.558 -4.892 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.806 -4.916 -6.016 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.351 -4.033 -6.009 1.00 0.00 H new ATOM 282 N THR A 22 -8.155 -7.299 -7.240 1.00 0.00 N ATOM 283 CA THR A 22 -7.305 -7.917 -8.250 1.00 0.00 C ATOM 284 C THR A 22 -6.343 -6.900 -8.856 1.00 0.00 C ATOM 285 O THR A 22 -6.765 -5.956 -9.525 1.00 0.00 O ATOM 286 CB THR A 22 -8.142 -8.550 -9.378 1.00 0.00 C ATOM 287 OG1 THR A 22 -9.036 -9.527 -8.834 1.00 0.00 O ATOM 288 CG2 THR A 22 -7.244 -9.199 -10.419 1.00 0.00 C ATOM 0 H THR A 22 -9.036 -6.930 -7.598 1.00 0.00 H new ATOM 0 HA THR A 22 -6.735 -8.699 -7.748 1.00 0.00 H new ATOM 0 HB THR A 22 -8.718 -7.761 -9.861 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.566 -9.924 -9.557 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.857 -9.639 -11.205 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.585 -8.446 -10.851 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.645 -9.978 -9.948 1.00 0.00 H new ATOM 296 N ILE A 23 -5.052 -7.099 -8.617 1.00 0.00 N ATOM 297 CA ILE A 23 -4.032 -6.200 -9.142 1.00 0.00 C ATOM 298 C ILE A 23 -3.914 -6.325 -10.656 1.00 0.00 C ATOM 299 O ILE A 23 -3.688 -7.414 -11.184 1.00 0.00 O ATOM 300 CB ILE A 23 -2.656 -6.479 -8.507 1.00 0.00 C ATOM 301 CG1 ILE A 23 -2.771 -6.511 -6.981 1.00 0.00 C ATOM 302 CG2 ILE A 23 -1.647 -5.428 -8.945 1.00 0.00 C ATOM 303 CD1 ILE A 23 -1.612 -7.207 -6.302 1.00 0.00 C ATOM 0 H ILE A 23 -4.687 -7.874 -8.064 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.343 -5.187 -8.887 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.307 -7.454 -8.847 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.839 -5.489 -6.608 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.698 -7.013 -6.705 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.680 -5.639 -8.488 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.548 -5.449 -10.030 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.989 -4.442 -8.631 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.760 -7.192 -5.222 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.556 -8.240 -6.646 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.684 -6.692 -6.548 1.00 0.00 H new ATOM 315 N ALA A 24 -4.067 -5.203 -11.351 1.00 0.00 N ATOM 316 CA ALA A 24 -3.975 -5.185 -12.805 1.00 0.00 C ATOM 317 C ALA A 24 -2.524 -5.088 -13.262 1.00 0.00 C ATOM 318 O ALA A 24 -2.241 -4.624 -14.366 1.00 0.00 O ATOM 319 CB ALA A 24 -4.787 -4.030 -13.372 1.00 0.00 C ATOM 0 H ALA A 24 -4.255 -4.293 -10.930 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.385 -6.122 -13.181 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.709 -4.029 -14.459 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.832 -4.144 -13.084 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.403 -3.088 -12.980 1.00 0.00 H new ATOM 325 N GLN A 25 -1.608 -5.529 -12.406 1.00 0.00 N ATOM 326 CA GLN A 25 -0.185 -5.489 -12.722 1.00 0.00 C ATOM 327 C GLN A 25 0.397 -6.897 -12.789 1.00 0.00 C ATOM 328 O GLN A 25 1.176 -7.216 -13.688 1.00 0.00 O ATOM 329 CB GLN A 25 0.568 -4.662 -11.679 1.00 0.00 C ATOM 330 CG GLN A 25 0.385 -3.162 -11.843 1.00 0.00 C ATOM 331 CD GLN A 25 -1.052 -2.723 -11.641 1.00 0.00 C ATOM 332 OE1 GLN A 25 -1.535 -2.642 -10.511 1.00 0.00 O ATOM 333 NE2 GLN A 25 -1.743 -2.437 -12.737 1.00 0.00 N ATOM 0 H GLN A 25 -1.826 -5.918 -11.489 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.069 -5.020 -13.699 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.231 -4.954 -10.684 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.630 -4.898 -11.738 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.023 -2.642 -11.129 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.714 -2.867 -12.839 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.302 -2.518 -13.653 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.715 -2.136 -12.663 1.00 0.00 H new ATOM 342 N CYS A 26 0.014 -7.736 -11.833 1.00 0.00 N ATOM 343 CA CYS A 26 0.498 -9.111 -11.782 1.00 0.00 C ATOM 344 C CYS A 26 -0.648 -10.081 -11.518 1.00 0.00 C ATOM 345 O CYS A 26 -0.467 -11.108 -10.864 1.00 0.00 O ATOM 346 CB CYS A 26 1.566 -9.257 -10.696 1.00 0.00 C ATOM 347 SG CYS A 26 1.038 -8.680 -9.051 1.00 0.00 S ATOM 0 H CYS A 26 -0.631 -7.488 -11.082 1.00 0.00 H new ATOM 0 HA CYS A 26 0.938 -9.352 -12.750 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.856 -10.305 -10.626 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.453 -8.700 -10.997 1.00 0.00 H new ATOM 0 HG CYS A 26 0.750 -9.704 -8.304 1.00 0.00 H new ATOM 352 N GLN A 27 -1.829 -9.748 -12.030 1.00 0.00 N ATOM 353 CA GLN A 27 -3.005 -10.591 -11.849 1.00 0.00 C ATOM 354 C GLN A 27 -3.003 -11.237 -10.467 1.00 0.00 C ATOM 355 O GLN A 27 -3.287 -12.427 -10.328 1.00 0.00 O ATOM 356 CB GLN A 27 -3.057 -11.671 -12.930 1.00 0.00 C ATOM 357 CG GLN A 27 -3.619 -11.179 -14.255 1.00 0.00 C ATOM 358 CD GLN A 27 -5.094 -10.843 -14.175 1.00 0.00 C ATOM 359 OE1 GLN A 27 -5.951 -11.701 -14.384 1.00 0.00 O ATOM 360 NE2 GLN A 27 -5.399 -9.587 -13.867 1.00 0.00 N ATOM 0 H GLN A 27 -1.997 -8.901 -12.573 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.890 -9.960 -11.934 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.052 -12.059 -13.093 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.665 -12.502 -12.573 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.066 -10.296 -14.574 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.465 -11.944 -15.017 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.656 -8.908 -13.702 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.376 -9.302 -13.796 1.00 0.00 H new ATOM 369 N CYS A 28 -2.682 -10.446 -9.449 1.00 0.00 N ATOM 370 CA CYS A 28 -2.643 -10.941 -8.078 1.00 0.00 C ATOM 371 C CYS A 28 -3.813 -10.392 -7.269 1.00 0.00 C ATOM 372 O CYS A 28 -3.959 -9.178 -7.113 1.00 0.00 O ATOM 373 CB CYS A 28 -1.321 -10.554 -7.413 1.00 0.00 C ATOM 374 SG CYS A 28 0.106 -11.544 -7.963 1.00 0.00 S ATOM 0 H CYS A 28 -2.445 -9.459 -9.548 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.723 -12.028 -8.107 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.119 -9.502 -7.615 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.426 -10.657 -6.333 1.00 0.00 H new ATOM 0 HG CYS A 28 0.088 -11.649 -9.259 1.00 0.00 H new ATOM 379 N ILE A 29 -4.644 -11.292 -6.753 1.00 0.00 N ATOM 380 CA ILE A 29 -5.800 -10.897 -5.958 1.00 0.00 C ATOM 381 C ILE A 29 -5.528 -11.076 -4.468 1.00 0.00 C ATOM 382 O ILE A 29 -4.860 -12.024 -4.056 1.00 0.00 O ATOM 383 CB ILE A 29 -7.051 -11.711 -6.342 1.00 0.00 C ATOM 384 CG1 ILE A 29 -8.292 -11.126 -5.665 1.00 0.00 C ATOM 385 CG2 ILE A 29 -6.870 -13.172 -5.958 1.00 0.00 C ATOM 386 CD1 ILE A 29 -9.593 -11.640 -6.242 1.00 0.00 C ATOM 0 H ILE A 29 -4.538 -12.300 -6.871 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.984 -9.843 -6.168 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.188 -11.654 -7.422 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.259 -11.358 -4.601 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.268 -10.040 -5.755 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.762 -13.734 -6.235 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.006 -13.581 -6.481 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.713 -13.249 -4.882 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.431 -11.183 -5.715 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.648 -11.384 -7.300 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.639 -12.723 -6.127 1.00 0.00 H new ATOM 398 N PHE A 30 -6.053 -10.157 -3.663 1.00 0.00 N ATOM 399 CA PHE A 30 -5.868 -10.212 -2.217 1.00 0.00 C ATOM 400 C PHE A 30 -7.030 -9.536 -1.495 1.00 0.00 C ATOM 401 O PHE A 30 -7.677 -8.641 -2.038 1.00 0.00 O ATOM 402 CB PHE A 30 -4.549 -9.544 -1.825 1.00 0.00 C ATOM 403 CG PHE A 30 -3.343 -10.188 -2.444 1.00 0.00 C ATOM 404 CD1 PHE A 30 -3.034 -11.512 -2.180 1.00 0.00 C ATOM 405 CD2 PHE A 30 -2.516 -9.469 -3.293 1.00 0.00 C ATOM 406 CE1 PHE A 30 -1.925 -12.108 -2.749 1.00 0.00 C ATOM 407 CE2 PHE A 30 -1.405 -10.059 -3.865 1.00 0.00 C ATOM 408 CZ PHE A 30 -1.109 -11.379 -3.592 1.00 0.00 C ATOM 0 H PHE A 30 -6.609 -9.366 -3.987 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.838 -11.260 -1.918 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.581 -8.495 -2.119 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.447 -9.568 -0.740 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.668 -12.086 -1.521 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.743 -8.436 -3.510 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.697 -13.142 -2.535 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.769 -9.488 -4.525 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.240 -11.841 -4.037 1.00 0.00 H new ATOM 418 N CYS A 31 -7.288 -9.973 -0.266 1.00 0.00 N ATOM 419 CA CYS A 31 -8.372 -9.412 0.533 1.00 0.00 C ATOM 420 C CYS A 31 -8.033 -7.996 0.991 1.00 0.00 C ATOM 421 O CYS A 31 -6.988 -7.762 1.600 1.00 0.00 O ATOM 422 CB CYS A 31 -8.652 -10.300 1.746 1.00 0.00 C ATOM 423 SG CYS A 31 -7.400 -10.175 3.063 1.00 0.00 S ATOM 0 H CYS A 31 -6.762 -10.713 0.198 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.265 -9.369 -0.090 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -9.626 -10.036 2.159 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.715 -11.337 1.417 1.00 0.00 H new ATOM 0 HG CYS A 31 -6.225 -10.432 2.570 1.00 0.00 H new ATOM 428 N THR A 32 -8.924 -7.055 0.696 1.00 0.00 N ATOM 429 CA THR A 32 -8.719 -5.663 1.078 1.00 0.00 C ATOM 430 C THR A 32 -7.948 -5.559 2.388 1.00 0.00 C ATOM 431 O THR A 32 -6.873 -4.960 2.442 1.00 0.00 O ATOM 432 CB THR A 32 -10.060 -4.918 1.224 1.00 0.00 C ATOM 433 OG1 THR A 32 -10.830 -5.056 0.025 1.00 0.00 O ATOM 434 CG2 THR A 32 -9.830 -3.444 1.519 1.00 0.00 C ATOM 0 H THR A 32 -9.794 -7.231 0.194 1.00 0.00 H new ATOM 0 HA THR A 32 -8.138 -5.199 0.281 1.00 0.00 H new ATOM 0 HB THR A 32 -10.606 -5.358 2.058 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.681 -4.581 0.126 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.791 -2.939 1.618 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.269 -3.342 2.448 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.265 -2.993 0.703 1.00 0.00 H new ATOM 442 N LEU A 33 -8.501 -6.148 3.443 1.00 0.00 N ATOM 443 CA LEU A 33 -7.863 -6.123 4.755 1.00 0.00 C ATOM 444 C LEU A 33 -6.346 -6.210 4.624 1.00 0.00 C ATOM 445 O LEU A 33 -5.632 -5.246 4.902 1.00 0.00 O ATOM 446 CB LEU A 33 -8.380 -7.275 5.617 1.00 0.00 C ATOM 447 CG LEU A 33 -9.771 -7.088 6.224 1.00 0.00 C ATOM 448 CD1 LEU A 33 -10.322 -8.417 6.717 1.00 0.00 C ATOM 449 CD2 LEU A 33 -9.727 -6.074 7.358 1.00 0.00 C ATOM 0 H LEU A 33 -9.389 -6.648 3.416 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.113 -5.178 5.236 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.389 -8.180 5.010 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.671 -7.442 6.428 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.436 -6.707 5.448 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.312 -8.264 7.146 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.392 -9.114 5.882 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.657 -8.827 7.477 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.726 -5.954 7.778 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.047 -6.425 8.134 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.377 -5.115 6.975 1.00 0.00 H new ATOM 461 N CYS A 34 -5.860 -7.371 4.199 1.00 0.00 N ATOM 462 CA CYS A 34 -4.427 -7.586 4.031 1.00 0.00 C ATOM 463 C CYS A 34 -3.797 -6.445 3.238 1.00 0.00 C ATOM 464 O CYS A 34 -3.021 -5.655 3.778 1.00 0.00 O ATOM 465 CB CYS A 34 -4.170 -8.917 3.322 1.00 0.00 C ATOM 466 SG CYS A 34 -4.481 -10.383 4.357 1.00 0.00 S ATOM 0 H CYS A 34 -6.438 -8.178 3.964 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.970 -7.615 5.020 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.801 -8.971 2.435 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.135 -8.940 2.980 1.00 0.00 H new ATOM 0 HG CYS A 34 -5.703 -10.789 4.179 1.00 0.00 H new ATOM 471 N LEU A 35 -4.136 -6.364 1.956 1.00 0.00 N ATOM 472 CA LEU A 35 -3.603 -5.319 1.089 1.00 0.00 C ATOM 473 C LEU A 35 -3.506 -3.991 1.833 1.00 0.00 C ATOM 474 O LEU A 35 -2.536 -3.249 1.677 1.00 0.00 O ATOM 475 CB LEU A 35 -4.485 -5.159 -0.151 1.00 0.00 C ATOM 476 CG LEU A 35 -4.069 -5.968 -1.380 1.00 0.00 C ATOM 477 CD1 LEU A 35 -5.210 -6.044 -2.381 1.00 0.00 C ATOM 478 CD2 LEU A 35 -2.831 -5.359 -2.024 1.00 0.00 C ATOM 0 H LEU A 35 -4.777 -7.009 1.494 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.601 -5.614 0.779 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.505 -5.438 0.115 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.504 -4.104 -0.425 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.827 -6.981 -1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.895 -6.624 -3.249 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.070 -6.525 -1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.484 -5.038 -2.697 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.548 -5.947 -2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.046 -4.335 -2.330 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.011 -5.358 -1.306 1.00 0.00 H new ATOM 490 N LYS A 36 -4.517 -3.697 2.643 1.00 0.00 N ATOM 491 CA LYS A 36 -4.544 -2.460 3.415 1.00 0.00 C ATOM 492 C LYS A 36 -3.396 -2.418 4.417 1.00 0.00 C ATOM 493 O LYS A 36 -2.634 -1.452 4.460 1.00 0.00 O ATOM 494 CB LYS A 36 -5.881 -2.323 4.149 1.00 0.00 C ATOM 495 CG LYS A 36 -6.079 -0.967 4.802 1.00 0.00 C ATOM 496 CD LYS A 36 -7.346 -0.932 5.641 1.00 0.00 C ATOM 497 CE LYS A 36 -8.582 -0.727 4.778 1.00 0.00 C ATOM 498 NZ LYS A 36 -9.681 -0.064 5.531 1.00 0.00 N ATOM 0 H LYS A 36 -5.329 -4.299 2.782 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.428 -1.626 2.723 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.693 -2.499 3.444 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.948 -3.098 4.913 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.219 -0.736 5.430 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.129 -0.196 4.033 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.441 -1.864 6.198 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.276 -0.129 6.374 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.322 -0.123 3.909 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.928 -1.691 4.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.505 0.057 4.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.947 -0.652 6.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.360 0.867 5.866 1.00 0.00 H new ATOM 512 N GLN A 37 -3.276 -3.471 5.219 1.00 0.00 N ATOM 513 CA GLN A 37 -2.219 -3.553 6.219 1.00 0.00 C ATOM 514 C GLN A 37 -0.846 -3.604 5.558 1.00 0.00 C ATOM 515 O GLN A 37 0.147 -3.156 6.131 1.00 0.00 O ATOM 516 CB GLN A 37 -2.418 -4.786 7.103 1.00 0.00 C ATOM 517 CG GLN A 37 -3.376 -4.556 8.261 1.00 0.00 C ATOM 518 CD GLN A 37 -4.820 -4.827 7.887 1.00 0.00 C ATOM 519 OE1 GLN A 37 -5.235 -5.980 7.761 1.00 0.00 O ATOM 520 NE2 GLN A 37 -5.595 -3.765 7.706 1.00 0.00 N ATOM 0 H GLN A 37 -3.898 -4.279 5.195 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.271 -2.658 6.839 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.792 -5.606 6.490 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.452 -5.099 7.498 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.094 -5.199 9.094 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.281 -3.527 8.607 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.210 -2.827 7.821 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.575 -3.886 7.452 1.00 0.00 H new ATOM 529 N TYR A 38 -0.798 -4.152 4.349 1.00 0.00 N ATOM 530 CA TYR A 38 0.455 -4.263 3.610 1.00 0.00 C ATOM 531 C TYR A 38 0.952 -2.890 3.171 1.00 0.00 C ATOM 532 O TYR A 38 2.017 -2.438 3.590 1.00 0.00 O ATOM 533 CB TYR A 38 0.271 -5.167 2.389 1.00 0.00 C ATOM 534 CG TYR A 38 1.451 -5.152 1.444 1.00 0.00 C ATOM 535 CD1 TYR A 38 2.665 -5.721 1.807 1.00 0.00 C ATOM 536 CD2 TYR A 38 1.352 -4.568 0.186 1.00 0.00 C ATOM 537 CE1 TYR A 38 3.745 -5.710 0.946 1.00 0.00 C ATOM 538 CE2 TYR A 38 2.427 -4.554 -0.682 1.00 0.00 C ATOM 539 CZ TYR A 38 3.621 -5.126 -0.297 1.00 0.00 C ATOM 540 OH TYR A 38 4.694 -5.111 -1.158 1.00 0.00 O ATOM 0 H TYR A 38 -1.611 -4.526 3.860 1.00 0.00 H new ATOM 0 HA TYR A 38 1.201 -4.704 4.272 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.099 -6.189 2.726 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.622 -4.855 1.847 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.766 -6.180 2.779 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.419 -4.118 -0.118 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.682 -6.157 1.245 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.333 -4.098 -1.656 1.00 0.00 H new ATOM 0 HH TYR A 38 4.534 -4.456 -1.869 1.00 0.00 H new ATOM 550 N VAL A 39 0.172 -2.229 2.321 1.00 0.00 N ATOM 551 CA VAL A 39 0.531 -0.906 1.824 1.00 0.00 C ATOM 552 C VAL A 39 0.720 0.079 2.973 1.00 0.00 C ATOM 553 O VAL A 39 1.575 0.962 2.910 1.00 0.00 O ATOM 554 CB VAL A 39 -0.541 -0.357 0.864 1.00 0.00 C ATOM 555 CG1 VAL A 39 -0.819 -1.352 -0.253 1.00 0.00 C ATOM 556 CG2 VAL A 39 -1.818 -0.027 1.622 1.00 0.00 C ATOM 0 H VAL A 39 -0.713 -2.588 1.962 1.00 0.00 H new ATOM 0 HA VAL A 39 1.471 -1.015 1.283 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.163 0.562 0.415 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.579 -0.946 -0.921 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.097 -1.534 -0.814 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.175 -2.289 0.175 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.564 0.360 0.927 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.200 -0.929 2.100 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.606 0.725 2.382 1.00 0.00 H new ATOM 566 N GLU A 40 -0.083 -0.079 4.020 1.00 0.00 N ATOM 567 CA GLU A 40 -0.002 0.797 5.182 1.00 0.00 C ATOM 568 C GLU A 40 1.325 0.614 5.912 1.00 0.00 C ATOM 569 O GLU A 40 2.113 1.551 6.037 1.00 0.00 O ATOM 570 CB GLU A 40 -1.164 0.520 6.139 1.00 0.00 C ATOM 571 CG GLU A 40 -2.394 1.369 5.864 1.00 0.00 C ATOM 572 CD GLU A 40 -3.413 1.300 6.985 1.00 0.00 C ATOM 573 OE1 GLU A 40 -3.768 0.176 7.395 1.00 0.00 O ATOM 574 OE2 GLU A 40 -3.855 2.371 7.452 1.00 0.00 O ATOM 0 H GLU A 40 -0.796 -0.805 4.087 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.065 1.827 4.832 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.437 -0.533 6.071 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.832 0.697 7.162 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.090 2.405 5.718 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.859 1.039 4.935 1.00 0.00 H new ATOM 581 N LEU A 41 1.567 -0.602 6.392 1.00 0.00 N ATOM 582 CA LEU A 41 2.798 -0.910 7.110 1.00 0.00 C ATOM 583 C LEU A 41 4.012 -0.341 6.379 1.00 0.00 C ATOM 584 O LEU A 41 4.927 0.198 7.002 1.00 0.00 O ATOM 585 CB LEU A 41 2.952 -2.423 7.274 1.00 0.00 C ATOM 586 CG LEU A 41 2.375 -3.021 8.557 1.00 0.00 C ATOM 587 CD1 LEU A 41 3.096 -2.466 9.776 1.00 0.00 C ATOM 588 CD2 LEU A 41 0.880 -2.745 8.650 1.00 0.00 C ATOM 0 H LEU A 41 0.926 -1.390 6.296 1.00 0.00 H new ATOM 0 HA LEU A 41 2.739 -0.448 8.095 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.476 -2.911 6.423 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.013 -2.667 7.228 1.00 0.00 H new ATOM 0 HG LEU A 41 2.525 -4.100 8.530 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.672 -2.903 10.680 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.156 -2.714 9.716 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.978 -1.383 9.807 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.487 -3.178 9.570 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.708 -1.669 8.653 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.374 -3.191 7.794 1.00 0.00 H new ATOM 600 N LEU A 42 4.010 -0.464 5.057 1.00 0.00 N ATOM 601 CA LEU A 42 5.109 0.040 4.241 1.00 0.00 C ATOM 602 C LEU A 42 5.202 1.559 4.331 1.00 0.00 C ATOM 603 O LEU A 42 6.207 2.103 4.791 1.00 0.00 O ATOM 604 CB LEU A 42 4.925 -0.386 2.783 1.00 0.00 C ATOM 605 CG LEU A 42 5.543 -1.728 2.391 1.00 0.00 C ATOM 606 CD1 LEU A 42 5.094 -2.136 0.997 1.00 0.00 C ATOM 607 CD2 LEU A 42 7.061 -1.658 2.467 1.00 0.00 C ATOM 0 H LEU A 42 3.260 -0.908 4.527 1.00 0.00 H new ATOM 0 HA LEU A 42 6.037 -0.385 4.623 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.857 -0.425 2.569 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.350 0.387 2.143 1.00 0.00 H new ATOM 0 HG LEU A 42 5.199 -2.485 3.096 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.544 -3.094 0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.008 -2.228 0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.407 -1.379 0.278 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.484 -2.622 2.185 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.424 -0.889 1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.363 -1.413 3.485 1.00 0.00 H new ATOM 619 N ILE A 43 4.148 2.240 3.893 1.00 0.00 N ATOM 620 CA ILE A 43 4.110 3.695 3.927 1.00 0.00 C ATOM 621 C ILE A 43 4.453 4.221 5.318 1.00 0.00 C ATOM 622 O ILE A 43 5.372 5.024 5.481 1.00 0.00 O ATOM 623 CB ILE A 43 2.727 4.233 3.515 1.00 0.00 C ATOM 624 CG1 ILE A 43 2.389 3.789 2.090 1.00 0.00 C ATOM 625 CG2 ILE A 43 2.693 5.749 3.624 1.00 0.00 C ATOM 626 CD1 ILE A 43 0.903 3.759 1.803 1.00 0.00 C ATOM 0 H ILE A 43 3.308 1.805 3.510 1.00 0.00 H new ATOM 0 HA ILE A 43 4.855 4.046 3.213 1.00 0.00 H new ATOM 0 HB ILE A 43 1.978 3.824 4.192 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.874 4.463 1.383 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.804 2.796 1.919 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.709 6.113 3.329 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.896 6.044 4.653 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.450 6.178 2.968 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.737 3.436 0.775 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.415 3.064 2.486 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.486 4.756 1.941 1.00 0.00 H new ATOM 638 N LYS A 44 3.708 3.762 6.318 1.00 0.00 N ATOM 639 CA LYS A 44 3.934 4.182 7.696 1.00 0.00 C ATOM 640 C LYS A 44 5.423 4.365 7.971 1.00 0.00 C ATOM 641 O LYS A 44 5.833 5.352 8.583 1.00 0.00 O ATOM 642 CB LYS A 44 3.347 3.155 8.666 1.00 0.00 C ATOM 643 CG LYS A 44 1.834 3.218 8.776 1.00 0.00 C ATOM 644 CD LYS A 44 1.343 2.602 10.076 1.00 0.00 C ATOM 645 CE LYS A 44 1.588 3.527 11.258 1.00 0.00 C ATOM 646 NZ LYS A 44 1.479 2.808 12.557 1.00 0.00 N ATOM 0 H LYS A 44 2.942 3.099 6.200 1.00 0.00 H new ATOM 0 HA LYS A 44 3.435 5.139 7.845 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.638 2.155 8.344 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.781 3.311 9.653 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.507 4.256 8.718 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.385 2.695 7.932 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.278 2.385 9.997 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.851 1.652 10.244 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.579 3.972 11.171 1.00 0.00 H new ATOM 0 HE3 LYS A 44 0.868 4.345 11.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 1.653 3.473 13.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.525 2.405 12.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.183 2.043 12.591 1.00 0.00 H new ATOM 660 N GLU A 45 6.226 3.410 7.517 1.00 0.00 N ATOM 661 CA GLU A 45 7.670 3.467 7.715 1.00 0.00 C ATOM 662 C GLU A 45 8.233 4.799 7.228 1.00 0.00 C ATOM 663 O GLU A 45 8.755 5.590 8.014 1.00 0.00 O ATOM 664 CB GLU A 45 8.355 2.313 6.980 1.00 0.00 C ATOM 665 CG GLU A 45 9.856 2.253 7.207 1.00 0.00 C ATOM 666 CD GLU A 45 10.217 1.906 8.638 1.00 0.00 C ATOM 667 OE1 GLU A 45 9.817 2.658 9.550 1.00 0.00 O ATOM 668 OE2 GLU A 45 10.900 0.880 8.846 1.00 0.00 O ATOM 0 H GLU A 45 5.902 2.587 7.009 1.00 0.00 H new ATOM 0 HA GLU A 45 7.868 3.376 8.783 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.909 1.372 7.303 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.161 2.408 5.912 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.292 1.512 6.537 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.297 3.215 6.948 1.00 0.00 H new ATOM 675 N GLY A 46 8.124 5.041 5.925 1.00 0.00 N ATOM 676 CA GLY A 46 8.627 6.278 5.355 1.00 0.00 C ATOM 677 C GLY A 46 10.016 6.123 4.769 1.00 0.00 C ATOM 678 O GLY A 46 10.857 7.012 4.902 1.00 0.00 O ATOM 0 H GLY A 46 7.696 4.403 5.254 1.00 0.00 H new ATOM 0 HA2 GLY A 46 7.944 6.620 4.578 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.645 7.049 6.126 1.00 0.00 H new ATOM 682 N LEU A 47 10.259 4.990 4.119 1.00 0.00 N ATOM 683 CA LEU A 47 11.558 4.720 3.511 1.00 0.00 C ATOM 684 C LEU A 47 11.414 4.457 2.015 1.00 0.00 C ATOM 685 O LEU A 47 12.305 4.781 1.231 1.00 0.00 O ATOM 686 CB LEU A 47 12.221 3.521 4.190 1.00 0.00 C ATOM 687 CG LEU A 47 11.931 2.153 3.570 1.00 0.00 C ATOM 688 CD1 LEU A 47 12.919 1.852 2.454 1.00 0.00 C ATOM 689 CD2 LEU A 47 11.977 1.066 4.633 1.00 0.00 C ATOM 0 H LEU A 47 9.574 4.244 3.999 1.00 0.00 H new ATOM 0 HA LEU A 47 12.186 5.600 3.648 1.00 0.00 H new ATOM 0 HB2 LEU A 47 13.300 3.678 4.187 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.905 3.499 5.233 1.00 0.00 H new ATOM 0 HG LEU A 47 10.928 2.174 3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 47 12.697 0.875 2.025 1.00 0.00 H new ATOM 0 HD12 LEU A 47 12.837 2.615 1.680 1.00 0.00 H new ATOM 0 HD13 LEU A 47 13.932 1.850 2.856 1.00 0.00 H new ATOM 0 HD21 LEU A 47 11.768 0.099 4.174 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.967 1.045 5.089 1.00 0.00 H new ATOM 0 HD23 LEU A 47 11.229 1.273 5.398 1.00 0.00 H new ATOM 701 N GLU A 48 10.286 3.871 1.628 1.00 0.00 N ATOM 702 CA GLU A 48 10.027 3.567 0.226 1.00 0.00 C ATOM 703 C GLU A 48 8.579 3.883 -0.141 1.00 0.00 C ATOM 704 O GLU A 48 7.651 3.544 0.594 1.00 0.00 O ATOM 705 CB GLU A 48 10.326 2.094 -0.064 1.00 0.00 C ATOM 706 CG GLU A 48 9.440 1.129 0.705 1.00 0.00 C ATOM 707 CD GLU A 48 9.679 -0.317 0.319 1.00 0.00 C ATOM 708 OE1 GLU A 48 9.712 -0.608 -0.896 1.00 0.00 O ATOM 709 OE2 GLU A 48 9.830 -1.157 1.229 1.00 0.00 O ATOM 0 H GLU A 48 9.538 3.598 2.265 1.00 0.00 H new ATOM 0 HA GLU A 48 10.683 4.191 -0.381 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.206 1.911 -1.132 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.369 1.889 0.179 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.619 1.250 1.773 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.395 1.381 0.526 1.00 0.00 H new ATOM 716 N THR A 49 8.394 4.538 -1.283 1.00 0.00 N ATOM 717 CA THR A 49 7.062 4.902 -1.748 1.00 0.00 C ATOM 718 C THR A 49 6.462 3.804 -2.618 1.00 0.00 C ATOM 719 O THR A 49 5.286 3.466 -2.486 1.00 0.00 O ATOM 720 CB THR A 49 7.087 6.219 -2.548 1.00 0.00 C ATOM 721 OG1 THR A 49 5.762 6.557 -2.976 1.00 0.00 O ATOM 722 CG2 THR A 49 8.001 6.099 -3.758 1.00 0.00 C ATOM 0 H THR A 49 9.151 4.827 -1.903 1.00 0.00 H new ATOM 0 HA THR A 49 6.444 5.035 -0.860 1.00 0.00 H new ATOM 0 HB THR A 49 7.471 7.006 -1.899 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.111 6.018 -2.480 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.003 7.040 -4.307 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.014 5.870 -3.427 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.642 5.301 -4.407 1.00 0.00 H new ATOM 730 N ALA A 50 7.279 3.248 -3.508 1.00 0.00 N ATOM 731 CA ALA A 50 6.830 2.185 -4.398 1.00 0.00 C ATOM 732 C ALA A 50 6.233 1.024 -3.609 1.00 0.00 C ATOM 733 O ALA A 50 6.907 0.415 -2.779 1.00 0.00 O ATOM 734 CB ALA A 50 7.982 1.699 -5.264 1.00 0.00 C ATOM 0 H ALA A 50 8.255 3.517 -3.631 1.00 0.00 H new ATOM 0 HA ALA A 50 6.051 2.591 -5.043 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.632 0.905 -5.924 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.362 2.527 -5.863 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.780 1.316 -4.627 1.00 0.00 H new ATOM 740 N ILE A 51 4.965 0.726 -3.873 1.00 0.00 N ATOM 741 CA ILE A 51 4.279 -0.363 -3.187 1.00 0.00 C ATOM 742 C ILE A 51 4.322 -1.646 -4.011 1.00 0.00 C ATOM 743 O ILE A 51 3.380 -1.961 -4.736 1.00 0.00 O ATOM 744 CB ILE A 51 2.810 -0.005 -2.891 1.00 0.00 C ATOM 745 CG1 ILE A 51 2.735 1.254 -2.025 1.00 0.00 C ATOM 746 CG2 ILE A 51 2.110 -1.168 -2.207 1.00 0.00 C ATOM 747 CD1 ILE A 51 3.649 1.216 -0.822 1.00 0.00 C ATOM 0 H ILE A 51 4.392 1.222 -4.556 1.00 0.00 H new ATOM 0 HA ILE A 51 4.803 -0.522 -2.244 1.00 0.00 H new ATOM 0 HB ILE A 51 2.302 0.195 -3.834 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.988 2.121 -2.636 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.708 1.391 -1.686 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.073 -0.900 -2.004 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.138 -2.043 -2.857 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.616 -1.396 -1.269 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.543 2.141 -0.255 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.382 0.370 -0.189 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.682 1.110 -1.153 1.00 0.00 H new ATOM 759 N SER A 52 5.422 -2.382 -3.892 1.00 0.00 N ATOM 760 CA SER A 52 5.589 -3.631 -4.627 1.00 0.00 C ATOM 761 C SER A 52 4.481 -4.619 -4.278 1.00 0.00 C ATOM 762 O SER A 52 3.634 -4.346 -3.427 1.00 0.00 O ATOM 763 CB SER A 52 6.955 -4.249 -4.321 1.00 0.00 C ATOM 764 OG SER A 52 7.344 -5.157 -5.336 1.00 0.00 O ATOM 0 H SER A 52 6.211 -2.136 -3.294 1.00 0.00 H new ATOM 0 HA SER A 52 5.530 -3.408 -5.692 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.702 -3.460 -4.229 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.917 -4.766 -3.362 1.00 0.00 H new ATOM 0 HG SER A 52 8.221 -5.536 -5.117 1.00 0.00 H new ATOM 770 N CYS A 53 4.494 -5.770 -4.941 1.00 0.00 N ATOM 771 CA CYS A 53 3.491 -6.802 -4.704 1.00 0.00 C ATOM 772 C CYS A 53 3.692 -7.451 -3.338 1.00 0.00 C ATOM 773 O CYS A 53 4.809 -7.777 -2.936 1.00 0.00 O ATOM 774 CB CYS A 53 3.552 -7.865 -5.801 1.00 0.00 C ATOM 775 SG CYS A 53 2.336 -9.207 -5.604 1.00 0.00 S ATOM 0 H CYS A 53 5.189 -6.012 -5.648 1.00 0.00 H new ATOM 0 HA CYS A 53 2.509 -6.330 -4.721 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.394 -7.385 -6.767 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.553 -8.296 -5.819 1.00 0.00 H new ATOM 0 HG CYS A 53 1.584 -9.270 -6.663 1.00 0.00 H new ATOM 780 N PRO A 54 2.585 -7.647 -2.606 1.00 0.00 N ATOM 781 CA PRO A 54 2.614 -8.260 -1.275 1.00 0.00 C ATOM 782 C PRO A 54 2.958 -9.745 -1.328 1.00 0.00 C ATOM 783 O PRO A 54 2.959 -10.428 -0.305 1.00 0.00 O ATOM 784 CB PRO A 54 1.185 -8.061 -0.762 1.00 0.00 C ATOM 785 CG PRO A 54 0.353 -7.953 -1.992 1.00 0.00 C ATOM 786 CD PRO A 54 1.220 -7.283 -3.022 1.00 0.00 C ATOM 0 HA PRO A 54 3.377 -7.814 -0.637 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.867 -8.899 -0.141 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.106 -7.162 -0.150 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.032 -8.937 -2.333 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.549 -7.371 -1.803 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.998 -7.639 -4.028 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.076 -6.203 -3.027 1.00 0.00 H new ATOM 794 N ASP A 55 3.250 -10.236 -2.527 1.00 0.00 N ATOM 795 CA ASP A 55 3.598 -11.641 -2.714 1.00 0.00 C ATOM 796 C ASP A 55 5.088 -11.798 -2.999 1.00 0.00 C ATOM 797 O ASP A 55 5.601 -11.266 -3.984 1.00 0.00 O ATOM 798 CB ASP A 55 2.780 -12.244 -3.857 1.00 0.00 C ATOM 799 CG ASP A 55 2.791 -13.759 -3.839 1.00 0.00 C ATOM 800 OD1 ASP A 55 3.838 -14.349 -4.178 1.00 0.00 O ATOM 801 OD2 ASP A 55 1.751 -14.356 -3.488 1.00 0.00 O ATOM 0 H ASP A 55 3.253 -9.683 -3.384 1.00 0.00 H new ATOM 0 HA ASP A 55 3.365 -12.173 -1.792 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.751 -11.890 -3.790 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.177 -11.892 -4.809 1.00 0.00 H new ATOM 806 N ALA A 56 5.778 -12.531 -2.131 1.00 0.00 N ATOM 807 CA ALA A 56 7.208 -12.759 -2.291 1.00 0.00 C ATOM 808 C ALA A 56 7.485 -13.739 -3.426 1.00 0.00 C ATOM 809 O ALA A 56 8.571 -13.744 -4.004 1.00 0.00 O ATOM 810 CB ALA A 56 7.810 -13.270 -0.990 1.00 0.00 C ATOM 0 H ALA A 56 5.369 -12.977 -1.310 1.00 0.00 H new ATOM 0 HA ALA A 56 7.676 -11.808 -2.546 1.00 0.00 H new ATOM 0 HB1 ALA A 56 8.879 -13.436 -1.124 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.653 -12.533 -0.202 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.330 -14.208 -0.710 1.00 0.00 H new ATOM 816 N ALA A 57 6.496 -14.570 -3.738 1.00 0.00 N ATOM 817 CA ALA A 57 6.632 -15.555 -4.804 1.00 0.00 C ATOM 818 C ALA A 57 5.961 -15.072 -6.086 1.00 0.00 C ATOM 819 O ALA A 57 5.268 -15.835 -6.761 1.00 0.00 O ATOM 820 CB ALA A 57 6.045 -16.889 -4.369 1.00 0.00 C ATOM 0 H ALA A 57 5.591 -14.581 -3.267 1.00 0.00 H new ATOM 0 HA ALA A 57 7.694 -15.688 -5.008 1.00 0.00 H new ATOM 0 HB1 ALA A 57 6.154 -17.615 -5.175 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.572 -17.247 -3.485 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.988 -16.762 -4.135 1.00 0.00 H new ATOM 826 N CYS A 58 6.169 -13.802 -6.416 1.00 0.00 N ATOM 827 CA CYS A 58 5.584 -13.217 -7.615 1.00 0.00 C ATOM 828 C CYS A 58 6.592 -13.199 -8.760 1.00 0.00 C ATOM 829 O CYS A 58 7.603 -12.496 -8.720 1.00 0.00 O ATOM 830 CB CYS A 58 5.095 -11.796 -7.330 1.00 0.00 C ATOM 831 SG CYS A 58 3.994 -11.115 -8.612 1.00 0.00 S ATOM 0 H CYS A 58 6.739 -13.158 -5.868 1.00 0.00 H new ATOM 0 HA CYS A 58 4.735 -13.833 -7.911 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.570 -11.789 -6.375 1.00 0.00 H new ATOM 0 HB3 CYS A 58 5.959 -11.141 -7.224 1.00 0.00 H new ATOM 0 HG CYS A 58 2.756 -11.325 -8.277 1.00 0.00 H new ATOM 836 N PRO A 59 6.314 -13.991 -9.807 1.00 0.00 N ATOM 837 CA PRO A 59 7.184 -14.083 -10.983 1.00 0.00 C ATOM 838 C PRO A 59 7.168 -12.807 -11.818 1.00 0.00 C ATOM 839 O PRO A 59 8.056 -12.580 -12.640 1.00 0.00 O ATOM 840 CB PRO A 59 6.586 -15.249 -11.775 1.00 0.00 C ATOM 841 CG PRO A 59 5.156 -15.295 -11.360 1.00 0.00 C ATOM 842 CD PRO A 59 5.128 -14.855 -9.923 1.00 0.00 C ATOM 0 HA PRO A 59 8.229 -14.228 -10.707 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.682 -15.088 -12.849 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.095 -16.185 -11.546 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.548 -14.638 -11.981 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.750 -16.301 -11.468 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.212 -14.314 -9.686 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.181 -15.704 -9.242 1.00 0.00 H new ATOM 850 N LYS A 60 6.153 -11.977 -11.602 1.00 0.00 N ATOM 851 CA LYS A 60 6.021 -10.723 -12.334 1.00 0.00 C ATOM 852 C LYS A 60 6.459 -9.543 -11.473 1.00 0.00 C ATOM 853 O LYS A 60 6.781 -8.473 -11.988 1.00 0.00 O ATOM 854 CB LYS A 60 4.574 -10.525 -12.791 1.00 0.00 C ATOM 855 CG LYS A 60 4.416 -9.461 -13.863 1.00 0.00 C ATOM 856 CD LYS A 60 3.206 -9.731 -14.742 1.00 0.00 C ATOM 857 CE LYS A 60 3.415 -9.207 -16.154 1.00 0.00 C ATOM 858 NZ LYS A 60 3.124 -7.750 -16.255 1.00 0.00 N ATOM 0 H LYS A 60 5.410 -12.150 -10.926 1.00 0.00 H new ATOM 0 HA LYS A 60 6.668 -10.772 -13.210 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.189 -11.471 -13.170 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.963 -10.255 -11.930 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.315 -8.482 -13.394 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.314 -9.428 -14.479 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.011 -10.803 -14.776 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.325 -9.261 -14.305 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.444 -9.394 -16.462 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.772 -9.754 -16.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.640 -7.554 -17.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.514 -7.462 -15.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.015 -7.215 -16.217 1.00 0.00 H new ATOM 872 N GLN A 61 6.471 -9.746 -10.159 1.00 0.00 N ATOM 873 CA GLN A 61 6.871 -8.699 -9.227 1.00 0.00 C ATOM 874 C GLN A 61 6.213 -7.370 -9.588 1.00 0.00 C ATOM 875 O GLN A 61 6.887 -6.349 -9.722 1.00 0.00 O ATOM 876 CB GLN A 61 8.393 -8.544 -9.223 1.00 0.00 C ATOM 877 CG GLN A 61 9.120 -9.703 -8.564 1.00 0.00 C ATOM 878 CD GLN A 61 10.506 -9.324 -8.081 1.00 0.00 C ATOM 879 OE1 GLN A 61 11.330 -8.830 -8.850 1.00 0.00 O ATOM 880 NE2 GLN A 61 10.771 -9.555 -6.800 1.00 0.00 N ATOM 0 H GLN A 61 6.208 -10.626 -9.716 1.00 0.00 H new ATOM 0 HA GLN A 61 6.541 -8.989 -8.230 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.742 -8.444 -10.251 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.655 -7.621 -8.706 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.531 -10.063 -7.720 1.00 0.00 H new ATOM 0 HG3 GLN A 61 9.199 -10.527 -9.273 1.00 0.00 H new ATOM 0 HE21 GLN A 61 10.058 -9.966 -6.198 1.00 0.00 H new ATOM 0 HE22 GLN A 61 11.688 -9.321 -6.419 1.00 0.00 H new ATOM 889 N GLY A 62 4.893 -7.391 -9.742 1.00 0.00 N ATOM 890 CA GLY A 62 4.167 -6.183 -10.087 1.00 0.00 C ATOM 891 C GLY A 62 4.146 -5.177 -8.953 1.00 0.00 C ATOM 892 O GLY A 62 4.547 -5.486 -7.831 1.00 0.00 O ATOM 0 H GLY A 62 4.313 -8.223 -9.634 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.623 -5.727 -10.965 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.144 -6.442 -10.358 1.00 0.00 H new ATOM 896 N HIS A 63 3.678 -3.968 -9.246 1.00 0.00 N ATOM 897 CA HIS A 63 3.607 -2.912 -8.242 1.00 0.00 C ATOM 898 C HIS A 63 2.176 -2.411 -8.080 1.00 0.00 C ATOM 899 O HIS A 63 1.317 -2.669 -8.925 1.00 0.00 O ATOM 900 CB HIS A 63 4.525 -1.751 -8.627 1.00 0.00 C ATOM 901 CG HIS A 63 4.065 -0.425 -8.103 1.00 0.00 C ATOM 902 ND1 HIS A 63 3.372 0.488 -8.869 1.00 0.00 N ATOM 903 CD2 HIS A 63 4.203 0.140 -6.880 1.00 0.00 C ATOM 904 CE1 HIS A 63 3.103 1.557 -8.141 1.00 0.00 C ATOM 905 NE2 HIS A 63 3.597 1.370 -6.929 1.00 0.00 N ATOM 0 H HIS A 63 3.342 -3.695 -10.170 1.00 0.00 H new ATOM 0 HA HIS A 63 3.938 -3.327 -7.290 1.00 0.00 H new ATOM 0 HB2 HIS A 63 5.529 -1.952 -8.252 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.595 -1.699 -9.713 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.698 -0.296 -6.025 1.00 0.00 H new ATOM 0 HE1 HIS A 63 2.570 2.434 -8.478 1.00 0.00 H new ATOM 0 HE2 HIS A 63 3.537 2.033 -6.156 1.00 0.00 H new ATOM 913 N LEU A 64 1.924 -1.695 -6.990 1.00 0.00 N ATOM 914 CA LEU A 64 0.595 -1.159 -6.716 1.00 0.00 C ATOM 915 C LEU A 64 0.511 0.314 -7.105 1.00 0.00 C ATOM 916 O LEU A 64 1.103 1.173 -6.452 1.00 0.00 O ATOM 917 CB LEU A 64 0.250 -1.327 -5.236 1.00 0.00 C ATOM 918 CG LEU A 64 -0.394 -2.657 -4.843 1.00 0.00 C ATOM 919 CD1 LEU A 64 -1.699 -2.860 -5.597 1.00 0.00 C ATOM 920 CD2 LEU A 64 0.562 -3.810 -5.107 1.00 0.00 C ATOM 0 H LEU A 64 2.623 -1.472 -6.281 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.125 -1.716 -7.316 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.163 -1.203 -4.654 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.424 -0.521 -4.947 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.615 -2.632 -3.776 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.144 -3.811 -5.305 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.387 -2.049 -5.358 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.503 -2.865 -6.669 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.087 -4.749 -4.822 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.814 -3.838 -6.167 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.471 -3.670 -4.522 1.00 0.00 H new ATOM 932 N GLN A 65 -0.229 0.598 -8.173 1.00 0.00 N ATOM 933 CA GLN A 65 -0.390 1.967 -8.648 1.00 0.00 C ATOM 934 C GLN A 65 -0.946 2.863 -7.545 1.00 0.00 C ATOM 935 O GLN A 65 -1.390 2.379 -6.504 1.00 0.00 O ATOM 936 CB GLN A 65 -1.317 2.001 -9.864 1.00 0.00 C ATOM 937 CG GLN A 65 -0.868 1.092 -10.997 1.00 0.00 C ATOM 938 CD GLN A 65 -1.680 1.289 -12.261 1.00 0.00 C ATOM 939 OE1 GLN A 65 -2.096 2.404 -12.578 1.00 0.00 O ATOM 940 NE2 GLN A 65 -1.912 0.205 -12.991 1.00 0.00 N ATOM 0 H GLN A 65 -0.726 -0.101 -8.725 1.00 0.00 H new ATOM 0 HA GLN A 65 0.591 2.343 -8.937 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.321 1.712 -9.553 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -1.380 3.024 -10.234 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.184 1.280 -11.213 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.947 0.053 -10.677 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.548 -0.699 -12.691 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.454 0.276 -13.852 1.00 0.00 H new ATOM 949 N GLU A 66 -0.917 4.171 -7.782 1.00 0.00 N ATOM 950 CA GLU A 66 -1.416 5.134 -6.807 1.00 0.00 C ATOM 951 C GLU A 66 -2.925 4.988 -6.623 1.00 0.00 C ATOM 952 O GLU A 66 -3.415 4.878 -5.500 1.00 0.00 O ATOM 953 CB GLU A 66 -1.081 6.560 -7.249 1.00 0.00 C ATOM 954 CG GLU A 66 -1.640 7.630 -6.326 1.00 0.00 C ATOM 955 CD GLU A 66 -1.212 9.028 -6.727 1.00 0.00 C ATOM 956 OE1 GLU A 66 -0.088 9.179 -7.248 1.00 0.00 O ATOM 957 OE2 GLU A 66 -2.004 9.972 -6.521 1.00 0.00 O ATOM 0 H GLU A 66 -0.554 4.588 -8.639 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.929 4.933 -5.853 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.002 6.669 -7.304 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.469 6.720 -8.255 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.729 7.573 -6.327 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.312 7.432 -5.306 1.00 0.00 H new ATOM 964 N ASN A 67 -3.654 4.989 -7.734 1.00 0.00 N ATOM 965 CA ASN A 67 -5.106 4.859 -7.696 1.00 0.00 C ATOM 966 C ASN A 67 -5.529 3.782 -6.701 1.00 0.00 C ATOM 967 O ASN A 67 -6.434 3.991 -5.894 1.00 0.00 O ATOM 968 CB ASN A 67 -5.646 4.523 -9.087 1.00 0.00 C ATOM 969 CG ASN A 67 -5.452 3.063 -9.446 1.00 0.00 C ATOM 970 OD1 ASN A 67 -6.345 2.239 -9.247 1.00 0.00 O ATOM 971 ND2 ASN A 67 -4.280 2.734 -9.978 1.00 0.00 N ATOM 0 H ASN A 67 -3.263 5.078 -8.672 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.523 5.813 -7.373 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.708 4.767 -9.130 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.145 5.146 -9.828 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -4.092 1.766 -10.239 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.568 3.449 -10.125 1.00 0.00 H new ATOM 978 N GLU A 68 -4.867 2.631 -6.765 1.00 0.00 N ATOM 979 CA GLU A 68 -5.175 1.523 -5.869 1.00 0.00 C ATOM 980 C GLU A 68 -5.001 1.937 -4.411 1.00 0.00 C ATOM 981 O GLU A 68 -5.930 1.831 -3.610 1.00 0.00 O ATOM 982 CB GLU A 68 -4.279 0.322 -6.181 1.00 0.00 C ATOM 983 CG GLU A 68 -4.678 -0.424 -7.443 1.00 0.00 C ATOM 984 CD GLU A 68 -3.724 -1.553 -7.779 1.00 0.00 C ATOM 985 OE1 GLU A 68 -2.602 -1.263 -8.244 1.00 0.00 O ATOM 986 OE2 GLU A 68 -4.099 -2.727 -7.576 1.00 0.00 O ATOM 0 H GLU A 68 -4.115 2.442 -7.427 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.216 1.241 -6.026 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.249 0.664 -6.282 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.304 -0.368 -5.338 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.683 -0.827 -7.320 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.715 0.276 -8.278 1.00 0.00 H new ATOM 993 N ILE A 69 -3.805 2.408 -4.075 1.00 0.00 N ATOM 994 CA ILE A 69 -3.510 2.838 -2.713 1.00 0.00 C ATOM 995 C ILE A 69 -4.508 3.890 -2.240 1.00 0.00 C ATOM 996 O ILE A 69 -5.136 3.735 -1.193 1.00 0.00 O ATOM 997 CB ILE A 69 -2.085 3.413 -2.603 1.00 0.00 C ATOM 998 CG1 ILE A 69 -1.055 2.370 -3.039 1.00 0.00 C ATOM 999 CG2 ILE A 69 -1.809 3.873 -1.179 1.00 0.00 C ATOM 1000 CD1 ILE A 69 0.213 2.971 -3.603 1.00 0.00 C ATOM 0 H ILE A 69 -3.025 2.502 -4.726 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.589 1.955 -2.078 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.005 4.275 -3.266 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.801 1.743 -2.184 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.504 1.720 -3.790 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.799 4.277 -1.117 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.526 4.645 -0.901 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.904 3.027 -0.498 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.897 2.173 -3.891 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.028 3.575 -4.477 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.685 3.599 -2.847 1.00 0.00 H new ATOM 1012 N GLU A 70 -4.649 4.957 -3.019 1.00 0.00 N ATOM 1013 CA GLU A 70 -5.573 6.033 -2.679 1.00 0.00 C ATOM 1014 C GLU A 70 -6.817 5.483 -1.987 1.00 0.00 C ATOM 1015 O GLU A 70 -7.174 5.919 -0.891 1.00 0.00 O ATOM 1016 CB GLU A 70 -5.975 6.807 -3.936 1.00 0.00 C ATOM 1017 CG GLU A 70 -6.707 8.106 -3.644 1.00 0.00 C ATOM 1018 CD GLU A 70 -7.277 8.748 -4.892 1.00 0.00 C ATOM 1019 OE1 GLU A 70 -6.618 8.675 -5.951 1.00 0.00 O ATOM 1020 OE2 GLU A 70 -8.382 9.324 -4.813 1.00 0.00 O ATOM 0 H GLU A 70 -4.136 5.100 -3.889 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.065 6.710 -1.992 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.080 7.027 -4.518 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.610 6.173 -4.555 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.515 7.913 -2.938 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.023 8.804 -3.161 1.00 0.00 H new ATOM 1027 N CYS A 71 -7.473 4.527 -2.635 1.00 0.00 N ATOM 1028 CA CYS A 71 -8.678 3.919 -2.083 1.00 0.00 C ATOM 1029 C CYS A 71 -8.335 2.970 -0.941 1.00 0.00 C ATOM 1030 O CYS A 71 -8.959 3.006 0.119 1.00 0.00 O ATOM 1031 CB CYS A 71 -9.440 3.167 -3.175 1.00 0.00 C ATOM 1032 SG CYS A 71 -10.410 4.233 -4.267 1.00 0.00 S ATOM 0 H CYS A 71 -7.191 4.156 -3.542 1.00 0.00 H new ATOM 0 HA CYS A 71 -9.310 4.716 -1.691 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -8.728 2.601 -3.776 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -10.106 2.444 -2.705 1.00 0.00 H new ATOM 0 HG CYS A 71 -11.016 3.505 -5.158 1.00 0.00 H new ATOM 1038 N MET A 72 -7.338 2.119 -1.164 1.00 0.00 N ATOM 1039 CA MET A 72 -6.911 1.159 -0.153 1.00 0.00 C ATOM 1040 C MET A 72 -6.827 1.818 1.221 1.00 0.00 C ATOM 1041 O MET A 72 -7.430 1.346 2.185 1.00 0.00 O ATOM 1042 CB MET A 72 -5.555 0.559 -0.528 1.00 0.00 C ATOM 1043 CG MET A 72 -5.358 -0.861 -0.023 1.00 0.00 C ATOM 1044 SD MET A 72 -5.977 -2.100 -1.176 1.00 0.00 S ATOM 1045 CE MET A 72 -4.655 -2.128 -2.386 1.00 0.00 C ATOM 0 H MET A 72 -6.811 2.075 -2.036 1.00 0.00 H new ATOM 0 HA MET A 72 -7.653 0.361 -0.109 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.451 0.568 -1.613 1.00 0.00 H new ATOM 0 HB3 MET A 72 -4.763 1.192 -0.127 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.297 -1.035 0.156 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.866 -0.976 0.935 1.00 0.00 H new ATOM 0 HE1 MET A 72 -4.812 -2.956 -3.077 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.649 -1.189 -2.940 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.699 -2.255 -1.878 1.00 0.00 H new ATOM 1055 N VAL A 73 -6.075 2.910 1.303 1.00 0.00 N ATOM 1056 CA VAL A 73 -5.912 3.634 2.558 1.00 0.00 C ATOM 1057 C VAL A 73 -6.779 4.888 2.586 1.00 0.00 C ATOM 1058 O VAL A 73 -7.374 5.265 1.576 1.00 0.00 O ATOM 1059 CB VAL A 73 -4.443 4.034 2.790 1.00 0.00 C ATOM 1060 CG1 VAL A 73 -3.543 2.809 2.741 1.00 0.00 C ATOM 1061 CG2 VAL A 73 -4.005 5.069 1.765 1.00 0.00 C ATOM 0 H VAL A 73 -5.569 3.313 0.515 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.227 2.960 3.354 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.357 4.479 3.781 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.509 3.111 2.907 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.845 2.105 3.516 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.630 2.333 1.764 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.965 5.340 1.944 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.105 4.653 0.762 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.632 5.956 1.853 1.00 0.00 H new ATOM 1071 N ALA A 74 -6.845 5.529 3.747 1.00 0.00 N ATOM 1072 CA ALA A 74 -7.638 6.742 3.906 1.00 0.00 C ATOM 1073 C ALA A 74 -6.794 7.986 3.647 1.00 0.00 C ATOM 1074 O ALA A 74 -5.566 7.942 3.720 1.00 0.00 O ATOM 1075 CB ALA A 74 -8.246 6.797 5.299 1.00 0.00 C ATOM 0 H ALA A 74 -6.359 5.229 4.592 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.443 6.719 3.171 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.835 7.708 5.403 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.889 5.930 5.450 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.450 6.793 6.044 1.00 0.00 H new ATOM 1081 N ALA A 75 -7.461 9.095 3.342 1.00 0.00 N ATOM 1082 CA ALA A 75 -6.773 10.352 3.073 1.00 0.00 C ATOM 1083 C ALA A 75 -5.624 10.569 4.052 1.00 0.00 C ATOM 1084 O ALA A 75 -4.474 10.728 3.647 1.00 0.00 O ATOM 1085 CB ALA A 75 -7.752 11.514 3.139 1.00 0.00 C ATOM 0 H ALA A 75 -8.477 9.148 3.275 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.354 10.301 2.068 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.225 12.446 2.936 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.536 11.372 2.396 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.198 11.558 4.133 1.00 0.00 H new ATOM 1091 N GLU A 76 -5.945 10.575 5.342 1.00 0.00 N ATOM 1092 CA GLU A 76 -4.939 10.775 6.379 1.00 0.00 C ATOM 1093 C GLU A 76 -3.672 9.984 6.066 1.00 0.00 C ATOM 1094 O GLU A 76 -2.563 10.516 6.137 1.00 0.00 O ATOM 1095 CB GLU A 76 -5.490 10.357 7.743 1.00 0.00 C ATOM 1096 CG GLU A 76 -5.887 8.893 7.817 1.00 0.00 C ATOM 1097 CD GLU A 76 -6.979 8.635 8.839 1.00 0.00 C ATOM 1098 OE1 GLU A 76 -8.161 8.875 8.515 1.00 0.00 O ATOM 1099 OE2 GLU A 76 -6.651 8.194 9.959 1.00 0.00 O ATOM 0 H GLU A 76 -6.893 10.444 5.694 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.688 11.835 6.407 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.739 10.560 8.506 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.358 10.972 7.979 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.228 8.563 6.836 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.011 8.295 8.068 1.00 0.00 H new ATOM 1106 N ILE A 77 -3.845 8.713 5.720 1.00 0.00 N ATOM 1107 CA ILE A 77 -2.716 7.849 5.396 1.00 0.00 C ATOM 1108 C ILE A 77 -2.109 8.222 4.048 1.00 0.00 C ATOM 1109 O ILE A 77 -0.925 8.545 3.957 1.00 0.00 O ATOM 1110 CB ILE A 77 -3.132 6.367 5.368 1.00 0.00 C ATOM 1111 CG1 ILE A 77 -3.768 5.967 6.701 1.00 0.00 C ATOM 1112 CG2 ILE A 77 -1.930 5.486 5.063 1.00 0.00 C ATOM 1113 CD1 ILE A 77 -2.786 5.924 7.850 1.00 0.00 C ATOM 0 H ILE A 77 -4.756 8.258 5.657 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.972 7.993 6.179 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.871 6.227 4.579 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -4.564 6.672 6.940 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.232 4.987 6.593 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.240 4.441 5.047 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.517 5.757 4.091 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.171 5.627 5.832 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.306 5.633 8.763 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.003 5.198 7.632 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.340 6.909 7.985 1.00 0.00 H new ATOM 1125 N MET A 78 -2.928 8.174 3.003 1.00 0.00 N ATOM 1126 CA MET A 78 -2.472 8.510 1.659 1.00 0.00 C ATOM 1127 C MET A 78 -1.424 9.617 1.701 1.00 0.00 C ATOM 1128 O MET A 78 -0.334 9.472 1.148 1.00 0.00 O ATOM 1129 CB MET A 78 -3.654 8.943 0.789 1.00 0.00 C ATOM 1130 CG MET A 78 -3.297 9.116 -0.678 1.00 0.00 C ATOM 1131 SD MET A 78 -2.571 7.630 -1.396 1.00 0.00 S ATOM 1132 CE MET A 78 -2.332 8.155 -3.092 1.00 0.00 C ATOM 0 H MET A 78 -3.910 7.906 3.061 1.00 0.00 H new ATOM 0 HA MET A 78 -2.017 7.620 1.224 1.00 0.00 H new ATOM 0 HB2 MET A 78 -4.449 8.203 0.876 1.00 0.00 H new ATOM 0 HB3 MET A 78 -4.051 9.883 1.171 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.194 9.384 -1.237 1.00 0.00 H new ATOM 0 HG3 MET A 78 -2.597 9.945 -0.782 1.00 0.00 H new ATOM 0 HE1 MET A 78 -2.668 7.368 -3.767 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.908 9.062 -3.277 1.00 0.00 H new ATOM 0 HE3 MET A 78 -1.275 8.355 -3.265 1.00 0.00 H new ATOM 1142 N GLN A 79 -1.761 10.720 2.360 1.00 0.00 N ATOM 1143 CA GLN A 79 -0.847 11.851 2.472 1.00 0.00 C ATOM 1144 C GLN A 79 0.586 11.375 2.687 1.00 0.00 C ATOM 1145 O GLN A 79 1.504 11.806 1.990 1.00 0.00 O ATOM 1146 CB GLN A 79 -1.272 12.764 3.624 1.00 0.00 C ATOM 1147 CG GLN A 79 -0.724 14.177 3.515 1.00 0.00 C ATOM 1148 CD GLN A 79 -1.486 15.022 2.512 1.00 0.00 C ATOM 1149 OE1 GLN A 79 -1.794 14.570 1.408 1.00 0.00 O ATOM 1150 NE2 GLN A 79 -1.795 16.257 2.891 1.00 0.00 N ATOM 0 H GLN A 79 -2.659 10.855 2.824 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.887 12.412 1.538 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -2.361 12.807 3.659 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.940 12.326 4.565 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.766 14.655 4.494 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.326 14.134 3.225 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.520 16.591 3.815 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.307 16.872 2.258 1.00 0.00 H new ATOM 1159 N ARG A 80 0.769 10.484 3.656 1.00 0.00 N ATOM 1160 CA ARG A 80 2.090 9.950 3.964 1.00 0.00 C ATOM 1161 C ARG A 80 2.767 9.418 2.704 1.00 0.00 C ATOM 1162 O ARG A 80 3.942 9.693 2.456 1.00 0.00 O ATOM 1163 CB ARG A 80 1.984 8.837 5.007 1.00 0.00 C ATOM 1164 CG ARG A 80 1.512 9.322 6.369 1.00 0.00 C ATOM 1165 CD ARG A 80 1.314 8.164 7.334 1.00 0.00 C ATOM 1166 NE ARG A 80 2.530 7.863 8.086 1.00 0.00 N ATOM 1167 CZ ARG A 80 2.951 8.583 9.120 1.00 0.00 C ATOM 1168 NH1 ARG A 80 2.257 9.638 9.525 1.00 0.00 N ATOM 1169 NH2 ARG A 80 4.067 8.246 9.754 1.00 0.00 N ATOM 0 H ARG A 80 0.019 10.117 4.241 1.00 0.00 H new ATOM 0 HA ARG A 80 2.697 10.760 4.369 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.295 8.074 4.644 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.958 8.360 5.118 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.241 10.020 6.781 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.576 9.868 6.257 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.509 8.404 8.028 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.003 7.279 6.779 1.00 0.00 H new ATOM 0 HE ARG A 80 3.086 7.056 7.802 1.00 0.00 H new ATOM 0 HH11 ARG A 80 1.397 9.899 9.042 1.00 0.00 H new ATOM 0 HH12 ARG A 80 2.583 10.189 10.319 1.00 0.00 H new ATOM 0 HH21 ARG A 80 4.602 7.434 9.447 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.390 8.799 10.548 1.00 0.00 H new ATOM 1183 N TYR A 81 2.021 8.656 1.914 1.00 0.00 N ATOM 1184 CA TYR A 81 2.550 8.083 0.681 1.00 0.00 C ATOM 1185 C TYR A 81 2.762 9.163 -0.375 1.00 0.00 C ATOM 1186 O TYR A 81 3.741 9.135 -1.122 1.00 0.00 O ATOM 1187 CB TYR A 81 1.602 7.010 0.145 1.00 0.00 C ATOM 1188 CG TYR A 81 1.807 6.696 -1.320 1.00 0.00 C ATOM 1189 CD1 TYR A 81 1.150 7.423 -2.304 1.00 0.00 C ATOM 1190 CD2 TYR A 81 2.660 5.673 -1.718 1.00 0.00 C ATOM 1191 CE1 TYR A 81 1.335 7.139 -3.644 1.00 0.00 C ATOM 1192 CE2 TYR A 81 2.852 5.384 -3.055 1.00 0.00 C ATOM 1193 CZ TYR A 81 2.187 6.120 -4.014 1.00 0.00 C ATOM 1194 OH TYR A 81 2.375 5.836 -5.347 1.00 0.00 O ATOM 0 H TYR A 81 1.047 8.420 2.105 1.00 0.00 H new ATOM 0 HA TYR A 81 3.514 7.627 0.907 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.735 6.097 0.725 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.573 7.337 0.297 1.00 0.00 H new ATOM 0 HD1 TYR A 81 0.484 8.223 -2.018 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.181 5.095 -0.969 1.00 0.00 H new ATOM 0 HE1 TYR A 81 0.815 7.712 -4.397 1.00 0.00 H new ATOM 0 HE2 TYR A 81 3.519 4.587 -3.348 1.00 0.00 H new ATOM 0 HH TYR A 81 3.006 5.092 -5.437 1.00 0.00 H new ATOM 1204 N LYS A 82 1.838 10.117 -0.431 1.00 0.00 N ATOM 1205 CA LYS A 82 1.922 11.209 -1.392 1.00 0.00 C ATOM 1206 C LYS A 82 3.233 11.972 -1.235 1.00 0.00 C ATOM 1207 O LYS A 82 3.913 12.270 -2.218 1.00 0.00 O ATOM 1208 CB LYS A 82 0.739 12.163 -1.216 1.00 0.00 C ATOM 1209 CG LYS A 82 -0.561 11.635 -1.799 1.00 0.00 C ATOM 1210 CD LYS A 82 -1.729 12.551 -1.477 1.00 0.00 C ATOM 1211 CE LYS A 82 -2.871 12.366 -2.465 1.00 0.00 C ATOM 1212 NZ LYS A 82 -2.599 13.046 -3.760 1.00 0.00 N ATOM 0 H LYS A 82 1.022 10.155 0.179 1.00 0.00 H new ATOM 0 HA LYS A 82 1.889 10.781 -2.394 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.597 12.360 -0.153 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.978 13.116 -1.688 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.462 11.536 -2.880 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.759 10.638 -1.405 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.084 12.348 -0.467 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.395 13.588 -1.495 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.031 11.302 -2.640 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.791 12.760 -2.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.434 12.969 -4.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.388 14.050 -3.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.785 12.596 -4.224 1.00 0.00 H new ATOM 1226 N LYS A 83 3.583 12.288 0.008 1.00 0.00 N ATOM 1227 CA LYS A 83 4.814 13.015 0.295 1.00 0.00 C ATOM 1228 C LYS A 83 6.036 12.147 0.015 1.00 0.00 C ATOM 1229 O LYS A 83 7.097 12.651 -0.357 1.00 0.00 O ATOM 1230 CB LYS A 83 4.827 13.478 1.754 1.00 0.00 C ATOM 1231 CG LYS A 83 4.777 12.337 2.756 1.00 0.00 C ATOM 1232 CD LYS A 83 5.380 12.741 4.091 1.00 0.00 C ATOM 1233 CE LYS A 83 4.520 13.777 4.801 1.00 0.00 C ATOM 1234 NZ LYS A 83 3.504 13.142 5.685 1.00 0.00 N ATOM 0 H LYS A 83 3.031 12.052 0.833 1.00 0.00 H new ATOM 0 HA LYS A 83 4.853 13.887 -0.358 1.00 0.00 H new ATOM 0 HB2 LYS A 83 5.727 14.067 1.931 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.976 14.137 1.925 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.743 12.025 2.902 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.316 11.478 2.357 1.00 0.00 H new ATOM 0 HD2 LYS A 83 5.488 11.860 4.724 1.00 0.00 H new ATOM 0 HD3 LYS A 83 6.380 13.144 3.933 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.157 14.434 5.393 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.019 14.401 4.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.164 13.838 6.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.705 12.807 5.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.933 12.337 6.184 1.00 0.00 H new ATOM 1248 N LEU A 84 5.882 10.840 0.195 1.00 0.00 N ATOM 1249 CA LEU A 84 6.974 9.901 -0.040 1.00 0.00 C ATOM 1250 C LEU A 84 7.357 9.871 -1.516 1.00 0.00 C ATOM 1251 O LEU A 84 8.531 9.728 -1.859 1.00 0.00 O ATOM 1252 CB LEU A 84 6.575 8.499 0.424 1.00 0.00 C ATOM 1253 CG LEU A 84 6.646 8.246 1.930 1.00 0.00 C ATOM 1254 CD1 LEU A 84 5.924 6.955 2.289 1.00 0.00 C ATOM 1255 CD2 LEU A 84 8.094 8.196 2.395 1.00 0.00 C ATOM 0 H LEU A 84 5.012 10.406 0.503 1.00 0.00 H new ATOM 0 HA LEU A 84 7.838 10.235 0.534 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.556 8.304 0.091 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.218 7.775 -0.077 1.00 0.00 H new ATOM 0 HG LEU A 84 6.149 9.071 2.441 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.985 6.791 3.365 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.878 7.028 1.992 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.392 6.120 1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.125 8.015 3.469 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.615 7.391 1.876 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.581 9.146 2.173 1.00 0.00 H new ATOM 1267 N GLN A 85 6.360 10.008 -2.384 1.00 0.00 N ATOM 1268 CA GLN A 85 6.595 9.998 -3.824 1.00 0.00 C ATOM 1269 C GLN A 85 7.572 11.097 -4.223 1.00 0.00 C ATOM 1270 O GLN A 85 8.590 10.835 -4.864 1.00 0.00 O ATOM 1271 CB GLN A 85 5.276 10.172 -4.578 1.00 0.00 C ATOM 1272 CG GLN A 85 4.582 8.858 -4.901 1.00 0.00 C ATOM 1273 CD GLN A 85 5.245 8.112 -6.040 1.00 0.00 C ATOM 1274 OE1 GLN A 85 6.352 8.453 -6.459 1.00 0.00 O ATOM 1275 NE2 GLN A 85 4.573 7.086 -6.549 1.00 0.00 N ATOM 0 H GLN A 85 5.383 10.127 -2.116 1.00 0.00 H new ATOM 0 HA GLN A 85 7.032 9.035 -4.089 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.605 10.791 -3.982 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.466 10.711 -5.506 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.577 8.226 -4.013 1.00 0.00 H new ATOM 0 HG3 GLN A 85 3.541 9.055 -5.158 1.00 0.00 H new ATOM 0 HE21 GLN A 85 3.658 6.838 -6.172 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.971 6.546 -7.317 1.00 0.00 H new ATOM 1284 N PHE A 86 7.256 12.331 -3.844 1.00 0.00 N ATOM 1285 CA PHE A 86 8.105 13.471 -4.164 1.00 0.00 C ATOM 1286 C PHE A 86 9.544 13.220 -3.722 1.00 0.00 C ATOM 1287 O PHE A 86 10.478 13.352 -4.510 1.00 0.00 O ATOM 1288 CB PHE A 86 7.568 14.738 -3.495 1.00 0.00 C ATOM 1289 CG PHE A 86 8.263 15.992 -3.941 1.00 0.00 C ATOM 1290 CD1 PHE A 86 9.611 16.183 -3.683 1.00 0.00 C ATOM 1291 CD2 PHE A 86 7.569 16.981 -4.621 1.00 0.00 C ATOM 1292 CE1 PHE A 86 10.253 17.338 -4.091 1.00 0.00 C ATOM 1293 CE2 PHE A 86 8.206 18.138 -5.033 1.00 0.00 C ATOM 1294 CZ PHE A 86 9.550 18.315 -4.768 1.00 0.00 C ATOM 0 H PHE A 86 6.417 12.566 -3.314 1.00 0.00 H new ATOM 0 HA PHE A 86 8.094 13.607 -5.245 1.00 0.00 H new ATOM 0 HB2 PHE A 86 6.503 14.828 -3.707 1.00 0.00 H new ATOM 0 HB3 PHE A 86 7.671 14.640 -2.414 1.00 0.00 H new ATOM 0 HD1 PHE A 86 10.167 15.421 -3.157 1.00 0.00 H new ATOM 0 HD2 PHE A 86 6.518 16.847 -4.832 1.00 0.00 H new ATOM 0 HE1 PHE A 86 11.303 17.476 -3.880 1.00 0.00 H new ATOM 0 HE2 PHE A 86 7.653 18.901 -5.561 1.00 0.00 H new ATOM 0 HZ PHE A 86 10.050 19.216 -5.090 1.00 0.00 H new