USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 607 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 69 SER OG : rot -91:sc= 0.294 USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 13 THR OG1 : rot -179:sc= -1.03 USER MOD Single : A 16 GLN : amide:sc= -0.294 X(o=-0.29,f=-0.29) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0.0328 X(o=0.033,f=-0.073) USER MOD Single : A 21 LYS NZ :NH3+ -137:sc= -0.0514 (180deg=-0.832) USER MOD Single : A 35 CYS SG : rot -102:sc= 0.604 USER MOD Single : A 37 SER OG : rot 180:sc= 0.0821 USER MOD Single : A 38 THR OG1 : rot -130:sc= -1.55 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.00264) USER MOD Single : A 45 MET CE :methyl -152:sc= -1.69 (180deg=-2.5!) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc=-0.000267 X(o=-0.00027,f=0) USER MOD Single : A 51 ASN : amide:sc= -1.98 X(o=-2,f=-1.5) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.651 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 158:sc= -0.967 (180deg=-1.74) USER MOD Single : A 81 MET CE :methyl 169:sc= -3.19 (180deg=-3.86) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 168:sc= 0 (180deg=-0.153) USER MOD ----------------------------------------------------------------- ATOM 61 N TYR A 5 7.094 -3.963 -5.758 1.00 53.30 N ATOM 62 CA TYR A 5 6.240 -4.252 -6.905 1.00 4.54 C ATOM 63 C TYR A 5 6.014 -2.998 -7.745 1.00 22.33 C ATOM 64 O TYR A 5 6.024 -3.050 -8.975 1.00 33.33 O ATOM 65 CB TYR A 5 4.897 -4.816 -6.438 1.00 43.31 C ATOM 66 CG TYR A 5 5.009 -6.161 -5.757 1.00 43.01 C ATOM 67 CD1 TYR A 5 5.795 -7.172 -6.297 1.00 42.44 C ATOM 68 CD2 TYR A 5 4.329 -6.422 -4.574 1.00 52.03 C ATOM 69 CE1 TYR A 5 5.900 -8.403 -5.679 1.00 40.33 C ATOM 70 CE2 TYR A 5 4.429 -7.649 -3.949 1.00 30.45 C ATOM 71 CZ TYR A 5 5.216 -8.636 -4.505 1.00 35.51 C ATOM 72 OH TYR A 5 5.317 -9.861 -3.885 1.00 72.03 O ATOM 0 HA TYR A 5 6.743 -4.996 -7.523 1.00 4.54 H new ATOM 0 HB2 TYR A 5 4.434 -4.108 -5.751 1.00 43.31 H new ATOM 0 HB3 TYR A 5 4.232 -4.907 -7.297 1.00 43.31 H new ATOM 0 HD1 TYR A 5 6.333 -6.992 -7.216 1.00 42.44 H new ATOM 0 HD2 TYR A 5 3.712 -5.652 -4.136 1.00 52.03 H new ATOM 0 HE1 TYR A 5 6.514 -9.178 -6.113 1.00 40.33 H new ATOM 0 HE2 TYR A 5 3.894 -7.835 -3.030 1.00 30.45 H new ATOM 0 HH TYR A 5 4.775 -9.860 -3.069 1.00 72.03 H new ATOM 82 N LYS A 6 5.811 -1.871 -7.071 1.00 21.20 N ATOM 83 CA LYS A 6 5.584 -0.602 -7.752 1.00 61.23 C ATOM 84 C LYS A 6 6.788 -0.221 -8.608 1.00 71.32 C ATOM 85 O LYS A 6 6.637 0.227 -9.744 1.00 54.11 O ATOM 86 CB LYS A 6 5.299 0.503 -6.733 1.00 50.44 C ATOM 87 CG LYS A 6 3.944 0.374 -6.059 1.00 3.23 C ATOM 88 CD LYS A 6 4.057 0.519 -4.550 1.00 74.43 C ATOM 89 CE LYS A 6 3.000 1.465 -4.001 1.00 21.22 C ATOM 90 NZ LYS A 6 3.436 2.104 -2.728 1.00 73.31 N ATOM 0 H LYS A 6 5.799 -1.811 -6.053 1.00 21.20 H new ATOM 0 HA LYS A 6 4.719 -0.718 -8.405 1.00 61.23 H new ATOM 0 HB2 LYS A 6 6.077 0.492 -5.970 1.00 50.44 H new ATOM 0 HB3 LYS A 6 5.356 1.470 -7.233 1.00 50.44 H new ATOM 0 HG2 LYS A 6 3.268 1.135 -6.449 1.00 3.23 H new ATOM 0 HG3 LYS A 6 3.507 -0.595 -6.301 1.00 3.23 H new ATOM 0 HD2 LYS A 6 3.951 -0.459 -4.080 1.00 74.43 H new ATOM 0 HD3 LYS A 6 5.049 0.891 -4.292 1.00 74.43 H new ATOM 0 HE2 LYS A 6 2.784 2.237 -4.740 1.00 21.22 H new ATOM 0 HE3 LYS A 6 2.073 0.916 -3.833 1.00 21.22 H new ATOM 0 HZ1 LYS A 6 2.689 2.741 -2.386 1.00 73.31 H new ATOM 0 HZ2 LYS A 6 3.618 1.369 -2.015 1.00 73.31 H new ATOM 0 HZ3 LYS A 6 4.307 2.649 -2.893 1.00 73.31 H new ATOM 104 N ALA A 7 7.983 -0.404 -8.056 1.00 33.23 N ATOM 105 CA ALA A 7 9.212 -0.083 -8.770 1.00 51.00 C ATOM 106 C ALA A 7 9.425 -1.028 -9.948 1.00 5.03 C ATOM 107 O ALA A 7 10.196 -0.733 -10.861 1.00 14.41 O ATOM 108 CB ALA A 7 10.402 -0.138 -7.824 1.00 21.42 C ATOM 0 H ALA A 7 8.126 -0.773 -7.116 1.00 33.23 H new ATOM 0 HA ALA A 7 9.121 0.930 -9.162 1.00 51.00 H new ATOM 0 HB1 ALA A 7 11.313 0.104 -8.371 1.00 21.42 H new ATOM 0 HB2 ALA A 7 10.260 0.583 -7.019 1.00 21.42 H new ATOM 0 HB3 ALA A 7 10.487 -1.140 -7.404 1.00 21.42 H new ATOM 114 N ALA A 8 8.739 -2.166 -9.919 1.00 41.44 N ATOM 115 CA ALA A 8 8.853 -3.153 -10.985 1.00 60.25 C ATOM 116 C ALA A 8 7.993 -2.768 -12.185 1.00 24.13 C ATOM 117 O ALA A 8 8.425 -2.881 -13.332 1.00 74.13 O ATOM 118 CB ALA A 8 8.460 -4.531 -10.473 1.00 3.12 C ATOM 0 H ALA A 8 8.099 -2.427 -9.169 1.00 41.44 H new ATOM 0 HA ALA A 8 9.893 -3.181 -11.310 1.00 60.25 H new ATOM 0 HB1 ALA A 8 8.550 -5.258 -11.280 1.00 3.12 H new ATOM 0 HB2 ALA A 8 9.119 -4.816 -9.653 1.00 3.12 H new ATOM 0 HB3 ALA A 8 7.429 -4.507 -10.119 1.00 3.12 H new ATOM 124 N VAL A 9 6.774 -2.313 -11.912 1.00 25.43 N ATOM 125 CA VAL A 9 5.854 -1.911 -12.969 1.00 21.15 C ATOM 126 C VAL A 9 6.296 -0.602 -13.613 1.00 61.35 C ATOM 127 O VAL A 9 6.083 -0.384 -14.805 1.00 54.34 O ATOM 128 CB VAL A 9 4.420 -1.747 -12.431 1.00 71.45 C ATOM 129 CG1 VAL A 9 3.790 -3.106 -12.166 1.00 63.54 C ATOM 130 CG2 VAL A 9 4.417 -0.895 -11.172 1.00 3.43 C ATOM 0 H VAL A 9 6.401 -2.214 -10.968 1.00 25.43 H new ATOM 0 HA VAL A 9 5.865 -2.703 -13.718 1.00 21.15 H new ATOM 0 HB VAL A 9 3.823 -1.238 -13.188 1.00 71.45 H new ATOM 0 HG11 VAL A 9 2.777 -2.970 -11.786 1.00 63.54 H new ATOM 0 HG12 VAL A 9 3.756 -3.678 -13.093 1.00 63.54 H new ATOM 0 HG13 VAL A 9 4.384 -3.645 -11.428 1.00 63.54 H new ATOM 0 HG21 VAL A 9 3.396 -0.790 -10.806 1.00 3.43 H new ATOM 0 HG22 VAL A 9 5.029 -1.374 -10.407 1.00 3.43 H new ATOM 0 HG23 VAL A 9 4.824 0.090 -11.398 1.00 3.43 H new ATOM 140 N GLU A 10 6.914 0.265 -12.817 1.00 72.41 N ATOM 141 CA GLU A 10 7.386 1.553 -13.311 1.00 73.33 C ATOM 142 C GLU A 10 8.574 1.372 -14.251 1.00 44.52 C ATOM 143 O GLU A 10 8.797 2.185 -15.148 1.00 5.10 O ATOM 144 CB GLU A 10 7.778 2.459 -12.143 1.00 3.50 C ATOM 145 CG GLU A 10 6.662 3.385 -11.689 1.00 71.11 C ATOM 146 CD GLU A 10 6.952 4.842 -11.993 1.00 72.15 C ATOM 147 OE1 GLU A 10 8.110 5.269 -11.800 1.00 74.42 O ATOM 148 OE2 GLU A 10 6.022 5.555 -12.424 1.00 51.03 O ATOM 0 H GLU A 10 7.099 0.099 -11.828 1.00 72.41 H new ATOM 0 HA GLU A 10 6.573 2.021 -13.867 1.00 73.33 H new ATOM 0 HB2 GLU A 10 8.089 1.839 -11.302 1.00 3.50 H new ATOM 0 HB3 GLU A 10 8.641 3.059 -12.433 1.00 3.50 H new ATOM 0 HG2 GLU A 10 5.732 3.094 -12.178 1.00 71.11 H new ATOM 0 HG3 GLU A 10 6.509 3.265 -10.616 1.00 71.11 H new ATOM 155 N GLN A 11 9.333 0.302 -14.038 1.00 2.55 N ATOM 156 CA GLN A 11 10.500 0.016 -14.864 1.00 54.35 C ATOM 157 C GLN A 11 10.117 -0.839 -16.068 1.00 21.33 C ATOM 158 O GLN A 11 10.983 -1.358 -16.774 1.00 75.31 O ATOM 159 CB GLN A 11 11.574 -0.694 -14.039 1.00 61.15 C ATOM 160 CG GLN A 11 11.154 -2.070 -13.549 1.00 33.21 C ATOM 161 CD GLN A 11 12.313 -2.867 -12.983 1.00 75.21 C ATOM 162 OE1 GLN A 11 13.279 -2.301 -12.472 1.00 21.34 O ATOM 163 NE2 GLN A 11 12.222 -4.189 -13.072 1.00 15.03 N ATOM 0 H GLN A 11 9.161 -0.381 -13.300 1.00 2.55 H new ATOM 0 HA GLN A 11 10.899 0.963 -15.226 1.00 54.35 H new ATOM 0 HB2 GLN A 11 12.477 -0.792 -14.641 1.00 61.15 H new ATOM 0 HB3 GLN A 11 11.829 -0.074 -13.180 1.00 61.15 H new ATOM 0 HG2 GLN A 11 10.386 -1.960 -12.784 1.00 33.21 H new ATOM 0 HG3 GLN A 11 10.706 -2.624 -14.374 1.00 33.21 H new ATOM 0 HE21 GLN A 11 11.402 -4.616 -13.504 1.00 15.03 H new ATOM 0 HE22 GLN A 11 12.972 -4.777 -12.709 1.00 15.03 H new ATOM 172 N LEU A 12 8.816 -0.983 -16.295 1.00 43.15 N ATOM 173 CA LEU A 12 8.318 -1.776 -17.414 1.00 24.42 C ATOM 174 C LEU A 12 8.602 -1.083 -18.742 1.00 55.34 C ATOM 175 O LEU A 12 9.090 0.047 -18.774 1.00 51.51 O ATOM 176 CB LEU A 12 6.816 -2.020 -17.263 1.00 31.32 C ATOM 177 CG LEU A 12 6.408 -3.097 -16.256 1.00 4.51 C ATOM 178 CD1 LEU A 12 4.902 -3.092 -16.050 1.00 54.02 C ATOM 179 CD2 LEU A 12 6.881 -4.467 -16.719 1.00 42.33 C ATOM 0 H LEU A 12 8.087 -0.561 -15.719 1.00 43.15 H new ATOM 0 HA LEU A 12 8.838 -2.734 -17.408 1.00 24.42 H new ATOM 0 HB2 LEU A 12 6.343 -1.082 -16.973 1.00 31.32 H new ATOM 0 HB3 LEU A 12 6.413 -2.292 -18.238 1.00 31.32 H new ATOM 0 HG LEU A 12 6.885 -2.874 -15.302 1.00 4.51 H new ATOM 0 HD11 LEU A 12 4.631 -3.865 -15.331 1.00 54.02 H new ATOM 0 HD12 LEU A 12 4.590 -2.118 -15.672 1.00 54.02 H new ATOM 0 HD13 LEU A 12 4.404 -3.289 -16.999 1.00 54.02 H new ATOM 0 HD21 LEU A 12 6.582 -5.221 -15.990 1.00 42.33 H new ATOM 0 HD22 LEU A 12 6.434 -4.699 -17.685 1.00 42.33 H new ATOM 0 HD23 LEU A 12 7.967 -4.464 -16.813 1.00 42.33 H new ATOM 191 N THR A 13 8.290 -1.766 -19.839 1.00 72.14 N ATOM 192 CA THR A 13 8.509 -1.216 -21.171 1.00 5.11 C ATOM 193 C THR A 13 7.447 -0.180 -21.520 1.00 71.10 C ATOM 194 O THR A 13 6.309 -0.266 -21.060 1.00 30.32 O ATOM 195 CB THR A 13 8.504 -2.321 -22.243 1.00 64.45 C ATOM 196 OG1 THR A 13 8.361 -3.604 -21.624 1.00 31.41 O ATOM 197 CG2 THR A 13 9.787 -2.288 -23.061 1.00 72.11 C ATOM 0 H THR A 13 7.884 -2.702 -19.831 1.00 72.14 H new ATOM 0 HA THR A 13 9.488 -0.738 -21.158 1.00 5.11 H new ATOM 0 HB THR A 13 7.661 -2.144 -22.911 1.00 64.45 H new ATOM 0 HG1 THR A 13 8.373 -4.302 -22.312 1.00 31.41 H new ATOM 0 HG21 THR A 13 9.760 -3.078 -23.812 1.00 72.11 H new ATOM 0 HG22 THR A 13 9.879 -1.321 -23.555 1.00 72.11 H new ATOM 0 HG23 THR A 13 10.642 -2.442 -22.403 1.00 72.11 H new ATOM 205 N GLU A 14 7.826 0.798 -22.337 1.00 1.04 N ATOM 206 CA GLU A 14 6.904 1.850 -22.747 1.00 12.42 C ATOM 207 C GLU A 14 5.588 1.258 -23.243 1.00 30.22 C ATOM 208 O GLU A 14 4.509 1.710 -22.861 1.00 3.12 O ATOM 209 CB GLU A 14 7.533 2.712 -23.844 1.00 23.14 C ATOM 210 CG GLU A 14 8.898 3.268 -23.473 1.00 31.03 C ATOM 211 CD GLU A 14 10.008 2.724 -24.351 1.00 52.42 C ATOM 212 OE1 GLU A 14 10.096 3.145 -25.524 1.00 14.52 O ATOM 213 OE2 GLU A 14 10.788 1.878 -23.867 1.00 0.30 O ATOM 0 H GLU A 14 8.764 0.883 -22.727 1.00 1.04 H new ATOM 0 HA GLU A 14 6.697 2.474 -21.878 1.00 12.42 H new ATOM 0 HB2 GLU A 14 7.627 2.117 -24.753 1.00 23.14 H new ATOM 0 HB3 GLU A 14 6.862 3.540 -24.073 1.00 23.14 H new ATOM 0 HG2 GLU A 14 8.877 4.355 -23.552 1.00 31.03 H new ATOM 0 HG3 GLU A 14 9.113 3.028 -22.432 1.00 31.03 H new ATOM 220 N GLU A 15 5.687 0.244 -24.096 1.00 71.55 N ATOM 221 CA GLU A 15 4.505 -0.410 -24.646 1.00 13.22 C ATOM 222 C GLU A 15 3.747 -1.167 -23.559 1.00 10.21 C ATOM 223 O GLU A 15 2.517 -1.145 -23.516 1.00 3.30 O ATOM 224 CB GLU A 15 4.901 -1.370 -25.769 1.00 40.25 C ATOM 225 CG GLU A 15 5.542 -0.680 -26.962 1.00 1.33 C ATOM 226 CD GLU A 15 6.025 -1.660 -28.013 1.00 21.11 C ATOM 227 OE1 GLU A 15 5.473 -2.779 -28.078 1.00 44.30 O ATOM 228 OE2 GLU A 15 6.954 -1.309 -28.770 1.00 22.42 O ATOM 0 H GLU A 15 6.573 -0.143 -24.421 1.00 71.55 H new ATOM 0 HA GLU A 15 3.851 0.362 -25.052 1.00 13.22 H new ATOM 0 HB2 GLU A 15 5.594 -2.112 -25.373 1.00 40.25 H new ATOM 0 HB3 GLU A 15 4.015 -1.909 -26.104 1.00 40.25 H new ATOM 0 HG2 GLU A 15 4.822 0.003 -27.412 1.00 1.33 H new ATOM 0 HG3 GLU A 15 6.383 -0.077 -26.619 1.00 1.33 H new ATOM 235 N GLN A 16 4.491 -1.836 -22.684 1.00 13.22 N ATOM 236 CA GLN A 16 3.889 -2.601 -21.598 1.00 2.32 C ATOM 237 C GLN A 16 3.021 -1.707 -20.718 1.00 61.02 C ATOM 238 O GLN A 16 1.898 -2.067 -20.365 1.00 70.33 O ATOM 239 CB GLN A 16 4.976 -3.268 -20.753 1.00 11.43 C ATOM 240 CG GLN A 16 5.624 -4.464 -21.430 1.00 25.24 C ATOM 241 CD GLN A 16 4.609 -5.462 -21.950 1.00 15.12 C ATOM 242 OE1 GLN A 16 3.697 -5.870 -21.230 1.00 30.14 O ATOM 243 NE2 GLN A 16 4.760 -5.861 -23.207 1.00 42.44 N ATOM 0 H GLN A 16 5.510 -1.864 -22.706 1.00 13.22 H new ATOM 0 HA GLN A 16 3.256 -3.372 -22.037 1.00 2.32 H new ATOM 0 HB2 GLN A 16 5.746 -2.532 -20.519 1.00 11.43 H new ATOM 0 HB3 GLN A 16 4.543 -3.588 -19.805 1.00 11.43 H new ATOM 0 HG2 GLN A 16 6.243 -4.117 -22.257 1.00 25.24 H new ATOM 0 HG3 GLN A 16 6.287 -4.962 -20.723 1.00 25.24 H new ATOM 0 HE21 GLN A 16 5.530 -5.497 -23.768 1.00 42.44 H new ATOM 0 HE22 GLN A 16 4.106 -6.531 -23.611 1.00 42.44 H new ATOM 252 N LYS A 17 3.549 -0.539 -20.367 1.00 32.43 N ATOM 253 CA LYS A 17 2.823 0.408 -19.529 1.00 32.42 C ATOM 254 C LYS A 17 1.573 0.917 -20.240 1.00 45.23 C ATOM 255 O LYS A 17 0.510 1.042 -19.634 1.00 43.03 O ATOM 256 CB LYS A 17 3.725 1.585 -19.154 1.00 45.35 C ATOM 257 CG LYS A 17 3.352 2.243 -17.837 1.00 44.12 C ATOM 258 CD LYS A 17 4.153 1.668 -16.681 1.00 12.35 C ATOM 259 CE LYS A 17 3.541 2.043 -15.339 1.00 64.11 C ATOM 260 NZ LYS A 17 4.044 3.356 -14.848 1.00 22.33 N ATOM 0 H LYS A 17 4.477 -0.226 -20.650 1.00 32.43 H new ATOM 0 HA LYS A 17 2.517 -0.110 -18.620 1.00 32.42 H new ATOM 0 HB2 LYS A 17 4.757 1.237 -19.097 1.00 45.35 H new ATOM 0 HB3 LYS A 17 3.683 2.331 -19.948 1.00 45.35 H new ATOM 0 HG2 LYS A 17 3.526 3.317 -17.903 1.00 44.12 H new ATOM 0 HG3 LYS A 17 2.288 2.104 -17.648 1.00 44.12 H new ATOM 0 HD2 LYS A 17 4.197 0.583 -16.772 1.00 12.35 H new ATOM 0 HD3 LYS A 17 5.179 2.034 -16.730 1.00 12.35 H new ATOM 0 HE2 LYS A 17 2.456 2.082 -15.433 1.00 64.11 H new ATOM 0 HE3 LYS A 17 3.770 1.269 -14.606 1.00 64.11 H new ATOM 0 HZ1 LYS A 17 3.604 3.576 -13.932 1.00 22.33 H new ATOM 0 HZ2 LYS A 17 5.077 3.312 -14.734 1.00 22.33 H new ATOM 0 HZ3 LYS A 17 3.803 4.099 -15.535 1.00 22.33 H new ATOM 274 N ASN A 18 1.710 1.208 -21.530 1.00 12.51 N ATOM 275 CA ASN A 18 0.591 1.703 -22.324 1.00 41.50 C ATOM 276 C ASN A 18 -0.439 0.603 -22.558 1.00 62.44 C ATOM 277 O ASN A 18 -1.615 0.880 -22.791 1.00 61.52 O ATOM 278 CB ASN A 18 1.091 2.244 -23.665 1.00 74.04 C ATOM 279 CG ASN A 18 1.615 3.663 -23.558 1.00 21.21 C ATOM 280 OD1 ASN A 18 0.907 4.566 -23.113 1.00 52.33 O ATOM 281 ND2 ASN A 18 2.863 3.865 -23.966 1.00 75.21 N ATOM 0 H ASN A 18 2.584 1.110 -22.047 1.00 12.51 H new ATOM 0 HA ASN A 18 0.113 2.511 -21.769 1.00 41.50 H new ATOM 0 HB2 ASN A 18 1.881 1.596 -24.043 1.00 74.04 H new ATOM 0 HB3 ASN A 18 0.279 2.214 -24.391 1.00 74.04 H new ATOM 0 HD21 ASN A 18 3.271 4.799 -23.917 1.00 75.21 H new ATOM 0 HD22 ASN A 18 3.414 3.086 -24.328 1.00 75.21 H new ATOM 288 N GLU A 19 0.013 -0.646 -22.494 1.00 74.13 N ATOM 289 CA GLU A 19 -0.870 -1.788 -22.700 1.00 32.31 C ATOM 290 C GLU A 19 -1.913 -1.876 -21.590 1.00 35.43 C ATOM 291 O GLU A 19 -3.116 -1.829 -21.848 1.00 34.22 O ATOM 292 CB GLU A 19 -0.059 -3.084 -22.756 1.00 70.55 C ATOM 293 CG GLU A 19 0.259 -3.542 -24.170 1.00 22.21 C ATOM 294 CD GLU A 19 0.657 -5.004 -24.234 1.00 75.22 C ATOM 295 OE1 GLU A 19 1.864 -5.298 -24.109 1.00 52.54 O ATOM 296 OE2 GLU A 19 -0.241 -5.855 -24.409 1.00 41.02 O ATOM 0 H GLU A 19 0.984 -0.892 -22.301 1.00 74.13 H new ATOM 0 HA GLU A 19 -1.386 -1.649 -23.650 1.00 32.31 H new ATOM 0 HB2 GLU A 19 0.874 -2.943 -22.210 1.00 70.55 H new ATOM 0 HB3 GLU A 19 -0.612 -3.871 -22.244 1.00 70.55 H new ATOM 0 HG2 GLU A 19 -0.611 -3.378 -24.805 1.00 22.21 H new ATOM 0 HG3 GLU A 19 1.067 -2.931 -24.573 1.00 22.21 H new ATOM 303 N PHE A 20 -1.444 -2.005 -20.353 1.00 63.23 N ATOM 304 CA PHE A 20 -2.335 -2.102 -19.203 1.00 41.21 C ATOM 305 C PHE A 20 -3.077 -0.788 -18.978 1.00 42.41 C ATOM 306 O PHE A 20 -4.223 -0.777 -18.529 1.00 20.15 O ATOM 307 CB PHE A 20 -1.543 -2.475 -17.948 1.00 34.11 C ATOM 308 CG PHE A 20 -0.971 -1.289 -17.226 1.00 25.23 C ATOM 309 CD1 PHE A 20 -1.775 -0.494 -16.425 1.00 43.15 C ATOM 310 CD2 PHE A 20 0.372 -0.970 -17.348 1.00 2.43 C ATOM 311 CE1 PHE A 20 -1.251 0.598 -15.759 1.00 64.12 C ATOM 312 CE2 PHE A 20 0.902 0.121 -16.684 1.00 31.44 C ATOM 313 CZ PHE A 20 0.089 0.906 -15.889 1.00 44.04 C ATOM 0 H PHE A 20 -0.451 -2.045 -20.122 1.00 63.23 H new ATOM 0 HA PHE A 20 -3.068 -2.882 -19.407 1.00 41.21 H new ATOM 0 HB2 PHE A 20 -2.193 -3.025 -17.268 1.00 34.11 H new ATOM 0 HB3 PHE A 20 -0.731 -3.147 -18.227 1.00 34.11 H new ATOM 0 HD1 PHE A 20 -2.824 -0.730 -16.320 1.00 43.15 H new ATOM 0 HD2 PHE A 20 1.012 -1.580 -17.968 1.00 2.43 H new ATOM 0 HE1 PHE A 20 -1.889 1.210 -15.138 1.00 64.12 H new ATOM 0 HE2 PHE A 20 1.950 0.359 -16.787 1.00 31.44 H new ATOM 0 HZ PHE A 20 0.501 1.759 -15.370 1.00 44.04 H new ATOM 323 N LYS A 21 -2.415 0.320 -19.293 1.00 45.35 N ATOM 324 CA LYS A 21 -3.009 1.641 -19.127 1.00 50.24 C ATOM 325 C LYS A 21 -4.276 1.777 -19.966 1.00 41.10 C ATOM 326 O LYS A 21 -5.194 2.513 -19.605 1.00 72.44 O ATOM 327 CB LYS A 21 -2.006 2.728 -19.520 1.00 64.23 C ATOM 328 CG LYS A 21 -1.142 3.204 -18.365 1.00 42.45 C ATOM 329 CD LYS A 21 -0.133 4.247 -18.817 1.00 64.21 C ATOM 330 CE LYS A 21 0.277 5.160 -17.671 1.00 74.53 C ATOM 331 NZ LYS A 21 1.025 4.423 -16.616 1.00 22.14 N ATOM 0 H LYS A 21 -1.465 0.329 -19.665 1.00 45.35 H new ATOM 0 HA LYS A 21 -3.274 1.763 -18.077 1.00 50.24 H new ATOM 0 HB2 LYS A 21 -1.361 2.347 -20.312 1.00 64.23 H new ATOM 0 HB3 LYS A 21 -2.548 3.579 -19.932 1.00 64.23 H new ATOM 0 HG2 LYS A 21 -1.776 3.624 -17.584 1.00 42.45 H new ATOM 0 HG3 LYS A 21 -0.618 2.355 -17.927 1.00 42.45 H new ATOM 0 HD2 LYS A 21 0.749 3.750 -19.221 1.00 64.21 H new ATOM 0 HD3 LYS A 21 -0.561 4.843 -19.623 1.00 64.21 H new ATOM 0 HE2 LYS A 21 0.896 5.971 -18.056 1.00 74.53 H new ATOM 0 HE3 LYS A 21 -0.611 5.617 -17.235 1.00 74.53 H new ATOM 0 HZ1 LYS A 21 0.688 4.722 -15.679 1.00 22.14 H new ATOM 0 HZ2 LYS A 21 0.870 3.401 -16.730 1.00 22.14 H new ATOM 0 HZ3 LYS A 21 2.041 4.631 -16.701 1.00 22.14 H new ATOM 345 N ALA A 22 -4.319 1.062 -21.085 1.00 45.15 N ATOM 346 CA ALA A 22 -5.474 1.101 -21.973 1.00 32.41 C ATOM 347 C ALA A 22 -6.583 0.182 -21.470 1.00 51.53 C ATOM 348 O ALA A 22 -7.763 0.529 -21.528 1.00 65.24 O ATOM 349 CB ALA A 22 -5.067 0.714 -23.387 1.00 42.20 C ATOM 0 H ALA A 22 -3.567 0.448 -21.398 1.00 45.15 H new ATOM 0 HA ALA A 22 -5.858 2.121 -21.984 1.00 32.41 H new ATOM 0 HB1 ALA A 22 -5.940 0.748 -24.039 1.00 42.20 H new ATOM 0 HB2 ALA A 22 -4.314 1.412 -23.753 1.00 42.20 H new ATOM 0 HB3 ALA A 22 -4.655 -0.295 -23.384 1.00 42.20 H new ATOM 355 N ALA A 23 -6.197 -0.990 -20.978 1.00 3.22 N ATOM 356 CA ALA A 23 -7.159 -1.957 -20.464 1.00 25.01 C ATOM 357 C ALA A 23 -7.900 -1.403 -19.252 1.00 53.13 C ATOM 358 O ALA A 23 -9.088 -1.666 -19.065 1.00 74.43 O ATOM 359 CB ALA A 23 -6.458 -3.259 -20.106 1.00 23.20 C ATOM 0 H ALA A 23 -5.225 -1.293 -20.924 1.00 3.22 H new ATOM 0 HA ALA A 23 -7.892 -2.154 -21.246 1.00 25.01 H new ATOM 0 HB1 ALA A 23 -7.188 -3.972 -19.723 1.00 23.20 H new ATOM 0 HB2 ALA A 23 -5.980 -3.671 -20.995 1.00 23.20 H new ATOM 0 HB3 ALA A 23 -5.703 -3.068 -19.343 1.00 23.20 H new ATOM 365 N PHE A 24 -7.192 -0.635 -18.431 1.00 51.42 N ATOM 366 CA PHE A 24 -7.784 -0.044 -17.236 1.00 25.50 C ATOM 367 C PHE A 24 -9.002 0.802 -17.593 1.00 44.22 C ATOM 368 O PHE A 24 -9.952 0.900 -16.817 1.00 74.22 O ATOM 369 CB PHE A 24 -6.751 0.812 -16.500 1.00 31.00 C ATOM 370 CG PHE A 24 -7.304 1.510 -15.291 1.00 11.43 C ATOM 371 CD1 PHE A 24 -7.512 0.818 -14.109 1.00 23.22 C ATOM 372 CD2 PHE A 24 -7.617 2.859 -15.336 1.00 41.51 C ATOM 373 CE1 PHE A 24 -8.020 1.458 -12.994 1.00 32.40 C ATOM 374 CE2 PHE A 24 -8.125 3.505 -14.225 1.00 31.45 C ATOM 375 CZ PHE A 24 -8.328 2.803 -13.052 1.00 72.44 C ATOM 0 H PHE A 24 -6.208 -0.407 -18.571 1.00 51.42 H new ATOM 0 HA PHE A 24 -8.107 -0.854 -16.582 1.00 25.50 H new ATOM 0 HB2 PHE A 24 -5.917 0.179 -16.195 1.00 31.00 H new ATOM 0 HB3 PHE A 24 -6.351 1.556 -17.188 1.00 31.00 H new ATOM 0 HD1 PHE A 24 -7.274 -0.234 -14.058 1.00 23.22 H new ATOM 0 HD2 PHE A 24 -7.462 3.412 -16.250 1.00 41.51 H new ATOM 0 HE1 PHE A 24 -8.176 0.907 -12.078 1.00 32.40 H new ATOM 0 HE2 PHE A 24 -8.363 4.557 -14.273 1.00 31.45 H new ATOM 0 HZ PHE A 24 -8.727 3.305 -12.183 1.00 72.44 H new ATOM 385 N ASP A 25 -8.965 1.413 -18.772 1.00 63.14 N ATOM 386 CA ASP A 25 -10.065 2.251 -19.234 1.00 0.41 C ATOM 387 C ASP A 25 -11.314 1.415 -19.492 1.00 74.01 C ATOM 388 O ASP A 25 -12.421 1.803 -19.116 1.00 71.42 O ATOM 389 CB ASP A 25 -9.665 3.000 -20.507 1.00 31.44 C ATOM 390 CG ASP A 25 -10.616 4.134 -20.834 1.00 4.31 C ATOM 391 OD1 ASP A 25 -11.738 3.852 -21.304 1.00 21.12 O ATOM 392 OD2 ASP A 25 -10.238 5.305 -20.619 1.00 64.14 O ATOM 0 H ASP A 25 -8.185 1.344 -19.425 1.00 63.14 H new ATOM 0 HA ASP A 25 -10.290 2.976 -18.451 1.00 0.41 H new ATOM 0 HB2 ASP A 25 -8.657 3.397 -20.390 1.00 31.44 H new ATOM 0 HB3 ASP A 25 -9.637 2.301 -21.343 1.00 31.44 H new ATOM 397 N ILE A 26 -11.129 0.268 -20.136 1.00 73.32 N ATOM 398 CA ILE A 26 -12.241 -0.623 -20.444 1.00 54.24 C ATOM 399 C ILE A 26 -12.859 -1.192 -19.172 1.00 23.35 C ATOM 400 O ILE A 26 -14.041 -1.534 -19.141 1.00 52.31 O ATOM 401 CB ILE A 26 -11.797 -1.786 -21.351 1.00 1.22 C ATOM 402 CG1 ILE A 26 -11.402 -1.262 -22.733 1.00 0.30 C ATOM 403 CG2 ILE A 26 -12.906 -2.820 -21.468 1.00 35.13 C ATOM 404 CD1 ILE A 26 -9.918 -1.352 -23.012 1.00 70.01 C ATOM 0 H ILE A 26 -10.220 -0.066 -20.455 1.00 73.32 H new ATOM 0 HA ILE A 26 -12.986 -0.026 -20.971 1.00 54.24 H new ATOM 0 HB ILE A 26 -10.927 -2.265 -20.902 1.00 1.22 H new ATOM 0 HG12 ILE A 26 -11.941 -1.826 -23.494 1.00 0.30 H new ATOM 0 HG13 ILE A 26 -11.718 -0.223 -22.822 1.00 0.30 H new ATOM 0 HG21 ILE A 26 -12.577 -3.635 -22.112 1.00 35.13 H new ATOM 0 HG22 ILE A 26 -13.144 -3.212 -20.479 1.00 35.13 H new ATOM 0 HG23 ILE A 26 -13.794 -2.355 -21.897 1.00 35.13 H new ATOM 0 HD11 ILE A 26 -9.711 -0.963 -24.009 1.00 70.01 H new ATOM 0 HD12 ILE A 26 -9.373 -0.765 -22.273 1.00 70.01 H new ATOM 0 HD13 ILE A 26 -9.600 -2.393 -22.955 1.00 70.01 H new ATOM 416 N PHE A 27 -12.050 -1.290 -18.121 1.00 75.42 N ATOM 417 CA PHE A 27 -12.517 -1.818 -16.844 1.00 50.22 C ATOM 418 C PHE A 27 -13.334 -0.773 -16.090 1.00 4.51 C ATOM 419 O PHE A 27 -14.370 -1.083 -15.502 1.00 63.41 O ATOM 420 CB PHE A 27 -11.330 -2.268 -15.990 1.00 11.10 C ATOM 421 CG PHE A 27 -10.859 -3.659 -16.304 1.00 33.34 C ATOM 422 CD1 PHE A 27 -10.515 -4.013 -17.598 1.00 53.04 C ATOM 423 CD2 PHE A 27 -10.760 -4.613 -15.304 1.00 30.22 C ATOM 424 CE1 PHE A 27 -10.083 -5.293 -17.890 1.00 4.22 C ATOM 425 CE2 PHE A 27 -10.327 -5.895 -15.589 1.00 55.31 C ATOM 426 CZ PHE A 27 -9.987 -6.234 -16.884 1.00 33.43 C ATOM 0 H PHE A 27 -11.069 -1.011 -18.129 1.00 75.42 H new ATOM 0 HA PHE A 27 -13.157 -2.677 -17.046 1.00 50.22 H new ATOM 0 HB2 PHE A 27 -10.504 -1.572 -16.135 1.00 11.10 H new ATOM 0 HB3 PHE A 27 -11.609 -2.216 -14.938 1.00 11.10 H new ATOM 0 HD1 PHE A 27 -10.585 -3.280 -18.388 1.00 53.04 H new ATOM 0 HD2 PHE A 27 -11.024 -4.352 -14.290 1.00 30.22 H new ATOM 0 HE1 PHE A 27 -9.821 -5.557 -18.904 1.00 4.22 H new ATOM 0 HE2 PHE A 27 -10.255 -6.630 -14.801 1.00 55.31 H new ATOM 0 HZ PHE A 27 -9.646 -7.234 -17.110 1.00 33.43 H new ATOM 436 N VAL A 28 -12.859 0.469 -16.111 1.00 24.23 N ATOM 437 CA VAL A 28 -13.544 1.561 -15.430 1.00 3.01 C ATOM 438 C VAL A 28 -14.636 2.159 -16.310 1.00 64.53 C ATOM 439 O VAL A 28 -15.256 3.161 -15.954 1.00 51.44 O ATOM 440 CB VAL A 28 -12.560 2.675 -15.024 1.00 61.43 C ATOM 441 CG1 VAL A 28 -11.474 2.122 -14.114 1.00 43.11 C ATOM 442 CG2 VAL A 28 -11.953 3.324 -16.259 1.00 12.54 C ATOM 0 H VAL A 28 -12.003 0.743 -16.592 1.00 24.23 H new ATOM 0 HA VAL A 28 -13.995 1.140 -14.532 1.00 3.01 H new ATOM 0 HB VAL A 28 -13.109 3.438 -14.472 1.00 61.43 H new ATOM 0 HG11 VAL A 28 -10.788 2.923 -13.837 1.00 43.11 H new ATOM 0 HG12 VAL A 28 -11.929 1.707 -13.215 1.00 43.11 H new ATOM 0 HG13 VAL A 28 -10.925 1.339 -14.637 1.00 43.11 H new ATOM 0 HG21 VAL A 28 -11.260 4.109 -15.954 1.00 12.54 H new ATOM 0 HG22 VAL A 28 -11.418 2.572 -16.839 1.00 12.54 H new ATOM 0 HG23 VAL A 28 -12.746 3.757 -16.869 1.00 12.54 H new ATOM 452 N LEU A 29 -14.866 1.536 -17.461 1.00 53.41 N ATOM 453 CA LEU A 29 -15.885 2.006 -18.394 1.00 43.10 C ATOM 454 C LEU A 29 -17.242 2.119 -17.707 1.00 70.52 C ATOM 455 O LEU A 29 -18.091 2.910 -18.114 1.00 13.21 O ATOM 456 CB LEU A 29 -15.983 1.059 -19.591 1.00 52.24 C ATOM 457 CG LEU A 29 -15.204 1.473 -20.840 1.00 42.02 C ATOM 458 CD1 LEU A 29 -15.364 0.434 -21.939 1.00 35.55 C ATOM 459 CD2 LEU A 29 -15.662 2.840 -21.326 1.00 50.32 C ATOM 0 H LEU A 29 -14.361 0.705 -17.770 1.00 53.41 H new ATOM 0 HA LEU A 29 -15.593 2.996 -18.745 1.00 43.10 H new ATOM 0 HB2 LEU A 29 -15.634 0.074 -19.279 1.00 52.24 H new ATOM 0 HB3 LEU A 29 -17.034 0.954 -19.861 1.00 52.24 H new ATOM 0 HG LEU A 29 -14.147 1.537 -20.580 1.00 42.02 H new ATOM 0 HD11 LEU A 29 -14.803 0.746 -22.820 1.00 35.55 H new ATOM 0 HD12 LEU A 29 -14.986 -0.527 -21.589 1.00 35.55 H new ATOM 0 HD13 LEU A 29 -16.419 0.337 -22.197 1.00 35.55 H new ATOM 0 HD21 LEU A 29 -15.097 3.118 -22.215 1.00 50.32 H new ATOM 0 HD22 LEU A 29 -16.724 2.803 -21.568 1.00 50.32 H new ATOM 0 HD23 LEU A 29 -15.494 3.580 -20.543 1.00 50.32 H new ATOM 471 N GLY A 30 -17.438 1.321 -16.661 1.00 53.41 N ATOM 472 CA GLY A 30 -18.693 1.348 -15.933 1.00 53.41 C ATOM 473 C GLY A 30 -18.736 2.448 -14.891 1.00 4.40 C ATOM 474 O GLY A 30 -19.802 2.981 -14.583 1.00 64.54 O ATOM 0 H GLY A 30 -16.750 0.657 -16.305 1.00 53.41 H new ATOM 0 HA2 GLY A 30 -19.514 1.486 -16.636 1.00 53.41 H new ATOM 0 HA3 GLY A 30 -18.848 0.385 -15.447 1.00 53.41 H new ATOM 478 N ALA A 31 -17.573 2.789 -14.345 1.00 22.11 N ATOM 479 CA ALA A 31 -17.481 3.833 -13.332 1.00 33.34 C ATOM 480 C ALA A 31 -17.643 5.216 -13.952 1.00 43.24 C ATOM 481 O ALA A 31 -17.506 5.382 -15.164 1.00 4.11 O ATOM 482 CB ALA A 31 -16.155 3.735 -12.592 1.00 52.50 C ATOM 0 H ALA A 31 -16.681 2.357 -14.588 1.00 22.11 H new ATOM 0 HA ALA A 31 -18.293 3.686 -12.620 1.00 33.34 H new ATOM 0 HB1 ALA A 31 -16.100 4.521 -11.839 1.00 52.50 H new ATOM 0 HB2 ALA A 31 -16.080 2.762 -12.107 1.00 52.50 H new ATOM 0 HB3 ALA A 31 -15.334 3.852 -13.299 1.00 52.50 H new ATOM 488 N GLU A 32 -17.935 6.206 -13.114 1.00 74.51 N ATOM 489 CA GLU A 32 -18.117 7.574 -13.583 1.00 1.43 C ATOM 490 C GLU A 32 -16.931 8.448 -13.184 1.00 64.32 C ATOM 491 O GLU A 32 -16.653 9.464 -13.821 1.00 12.54 O ATOM 492 CB GLU A 32 -19.411 8.163 -13.017 1.00 3.43 C ATOM 493 CG GLU A 32 -19.346 8.456 -11.527 1.00 63.11 C ATOM 494 CD GLU A 32 -20.712 8.442 -10.870 1.00 31.23 C ATOM 495 OE1 GLU A 32 -21.194 7.341 -10.528 1.00 2.55 O ATOM 496 OE2 GLU A 32 -21.300 9.530 -10.698 1.00 4.14 O ATOM 0 H GLU A 32 -18.050 6.086 -12.108 1.00 74.51 H new ATOM 0 HA GLU A 32 -18.181 7.552 -14.671 1.00 1.43 H new ATOM 0 HB2 GLU A 32 -19.644 9.085 -13.550 1.00 3.43 H new ATOM 0 HB3 GLU A 32 -20.230 7.469 -13.207 1.00 3.43 H new ATOM 0 HG2 GLU A 32 -18.707 7.718 -11.043 1.00 63.11 H new ATOM 0 HG3 GLU A 32 -18.882 9.430 -11.372 1.00 63.11 H new ATOM 503 N ASP A 33 -16.235 8.044 -12.127 1.00 60.41 N ATOM 504 CA ASP A 33 -15.078 8.788 -11.643 1.00 71.11 C ATOM 505 C ASP A 33 -13.786 8.222 -12.224 1.00 50.44 C ATOM 506 O ASP A 33 -12.830 8.957 -12.470 1.00 31.14 O ATOM 507 CB ASP A 33 -15.024 8.751 -10.115 1.00 62.40 C ATOM 508 CG ASP A 33 -14.269 9.930 -9.533 1.00 55.15 C ATOM 509 OD1 ASP A 33 -14.775 11.067 -9.639 1.00 4.11 O ATOM 510 OD2 ASP A 33 -13.174 9.716 -8.974 1.00 5.33 O ATOM 0 H ASP A 33 -16.452 7.205 -11.589 1.00 60.41 H new ATOM 0 HA ASP A 33 -15.179 9.823 -11.970 1.00 71.11 H new ATOM 0 HB2 ASP A 33 -16.039 8.742 -9.719 1.00 62.40 H new ATOM 0 HB3 ASP A 33 -14.548 7.824 -9.794 1.00 62.40 H new ATOM 515 N GLY A 34 -13.765 6.911 -12.442 1.00 22.25 N ATOM 516 CA GLY A 34 -12.585 6.269 -12.991 1.00 20.20 C ATOM 517 C GLY A 34 -12.003 5.227 -12.056 1.00 52.20 C ATOM 518 O GLY A 34 -10.812 5.259 -11.745 1.00 62.31 O ATOM 0 H GLY A 34 -14.544 6.282 -12.248 1.00 22.25 H new ATOM 0 HA2 GLY A 34 -12.840 5.799 -13.941 1.00 20.20 H new ATOM 0 HA3 GLY A 34 -11.829 7.025 -13.203 1.00 20.20 H new ATOM 522 N CYS A 35 -12.844 4.303 -11.605 1.00 55.34 N ATOM 523 CA CYS A 35 -12.407 3.249 -10.698 1.00 32.43 C ATOM 524 C CYS A 35 -13.146 1.945 -10.983 1.00 12.13 C ATOM 525 O CYS A 35 -14.045 1.901 -11.823 1.00 33.11 O ATOM 526 CB CYS A 35 -12.634 3.670 -9.245 1.00 51.53 C ATOM 527 SG CYS A 35 -11.755 5.177 -8.768 1.00 55.14 S ATOM 0 H CYS A 35 -13.833 4.263 -11.853 1.00 55.34 H new ATOM 0 HA CYS A 35 -11.342 3.085 -10.859 1.00 32.43 H new ATOM 0 HB2 CYS A 35 -13.702 3.818 -9.083 1.00 51.53 H new ATOM 0 HB3 CYS A 35 -12.322 2.857 -8.589 1.00 51.53 H new ATOM 0 HG CYS A 35 -10.699 4.863 -8.077 1.00 55.14 H new ATOM 533 N ILE A 36 -12.760 0.886 -10.279 1.00 41.13 N ATOM 534 CA ILE A 36 -13.386 -0.418 -10.457 1.00 64.23 C ATOM 535 C ILE A 36 -13.897 -0.968 -9.130 1.00 60.42 C ATOM 536 O ILE A 36 -13.129 -1.155 -8.187 1.00 1.15 O ATOM 537 CB ILE A 36 -12.406 -1.432 -11.077 1.00 73.44 C ATOM 538 CG1 ILE A 36 -11.904 -0.927 -12.431 1.00 45.31 C ATOM 539 CG2 ILE A 36 -13.075 -2.790 -11.228 1.00 74.43 C ATOM 540 CD1 ILE A 36 -10.409 -1.069 -12.612 1.00 65.20 C ATOM 0 H ILE A 36 -12.017 0.906 -9.580 1.00 41.13 H new ATOM 0 HA ILE A 36 -14.227 -0.275 -11.136 1.00 64.23 H new ATOM 0 HB ILE A 36 -11.550 -1.542 -10.411 1.00 73.44 H new ATOM 0 HG12 ILE A 36 -12.412 -1.475 -13.225 1.00 45.31 H new ATOM 0 HG13 ILE A 36 -12.177 0.122 -12.542 1.00 45.31 H new ATOM 0 HG21 ILE A 36 -12.370 -3.496 -11.667 1.00 74.43 H new ATOM 0 HG22 ILE A 36 -13.388 -3.152 -10.249 1.00 74.43 H new ATOM 0 HG23 ILE A 36 -13.946 -2.696 -11.876 1.00 74.43 H new ATOM 0 HD11 ILE A 36 -10.124 -0.691 -13.594 1.00 65.20 H new ATOM 0 HD12 ILE A 36 -9.893 -0.498 -11.840 1.00 65.20 H new ATOM 0 HD13 ILE A 36 -10.131 -2.120 -12.533 1.00 65.20 H new ATOM 552 N SER A 37 -15.199 -1.228 -9.066 1.00 0.01 N ATOM 553 CA SER A 37 -15.814 -1.755 -7.854 1.00 33.34 C ATOM 554 C SER A 37 -15.786 -3.281 -7.850 1.00 14.35 C ATOM 555 O SER A 37 -15.974 -3.920 -8.885 1.00 71.31 O ATOM 556 CB SER A 37 -17.257 -1.260 -7.731 1.00 44.13 C ATOM 557 OG SER A 37 -17.997 -2.063 -6.828 1.00 42.04 O ATOM 0 H SER A 37 -15.848 -1.082 -9.839 1.00 0.01 H new ATOM 0 HA SER A 37 -15.240 -1.396 -7.000 1.00 33.34 H new ATOM 0 HB2 SER A 37 -17.262 -0.225 -7.390 1.00 44.13 H new ATOM 0 HB3 SER A 37 -17.734 -1.275 -8.711 1.00 44.13 H new ATOM 0 HG SER A 37 -18.915 -1.725 -6.766 1.00 42.04 H new ATOM 563 N THR A 38 -15.550 -3.859 -6.676 1.00 35.01 N ATOM 564 CA THR A 38 -15.496 -5.309 -6.535 1.00 53.42 C ATOM 565 C THR A 38 -16.723 -5.967 -7.157 1.00 25.44 C ATOM 566 O THR A 38 -16.660 -7.105 -7.624 1.00 4.21 O ATOM 567 CB THR A 38 -15.398 -5.726 -5.056 1.00 25.12 C ATOM 568 OG1 THR A 38 -15.680 -7.124 -4.921 1.00 43.43 O ATOM 569 CG2 THR A 38 -16.367 -4.923 -4.201 1.00 65.40 C ATOM 0 H THR A 38 -15.393 -3.345 -5.809 1.00 35.01 H new ATOM 0 HA THR A 38 -14.601 -5.645 -7.059 1.00 53.42 H new ATOM 0 HB THR A 38 -14.383 -5.526 -4.712 1.00 25.12 H new ATOM 0 HG1 THR A 38 -16.347 -7.256 -4.216 1.00 43.43 H new ATOM 0 HG21 THR A 38 -16.279 -5.236 -3.160 1.00 65.40 H new ATOM 0 HG22 THR A 38 -16.131 -3.862 -4.282 1.00 65.40 H new ATOM 0 HG23 THR A 38 -17.386 -5.095 -4.547 1.00 65.40 H new ATOM 577 N LYS A 39 -17.838 -5.246 -7.160 1.00 33.04 N ATOM 578 CA LYS A 39 -19.080 -5.759 -7.726 1.00 32.13 C ATOM 579 C LYS A 39 -18.960 -5.930 -9.237 1.00 2.14 C ATOM 580 O LYS A 39 -19.291 -6.984 -9.779 1.00 3.30 O ATOM 581 CB LYS A 39 -20.241 -4.817 -7.399 1.00 72.01 C ATOM 582 CG LYS A 39 -21.609 -5.432 -7.637 1.00 33.51 C ATOM 583 CD LYS A 39 -22.725 -4.455 -7.308 1.00 72.00 C ATOM 584 CE LYS A 39 -22.781 -3.314 -8.313 1.00 31.34 C ATOM 585 NZ LYS A 39 -24.015 -2.495 -8.154 1.00 24.33 N ATOM 0 H LYS A 39 -17.908 -4.303 -6.776 1.00 33.04 H new ATOM 0 HA LYS A 39 -19.276 -6.735 -7.282 1.00 32.13 H new ATOM 0 HB2 LYS A 39 -20.166 -4.511 -6.356 1.00 72.01 H new ATOM 0 HB3 LYS A 39 -20.147 -3.915 -8.004 1.00 72.01 H new ATOM 0 HG2 LYS A 39 -21.692 -5.744 -8.678 1.00 33.51 H new ATOM 0 HG3 LYS A 39 -21.717 -6.328 -7.026 1.00 33.51 H new ATOM 0 HD2 LYS A 39 -23.680 -4.981 -7.299 1.00 72.00 H new ATOM 0 HD3 LYS A 39 -22.574 -4.052 -6.307 1.00 72.00 H new ATOM 0 HE2 LYS A 39 -21.905 -2.678 -8.190 1.00 31.34 H new ATOM 0 HE3 LYS A 39 -22.741 -3.719 -9.324 1.00 31.34 H new ATOM 0 HZ1 LYS A 39 -24.016 -1.728 -8.857 1.00 24.33 H new ATOM 0 HZ2 LYS A 39 -24.851 -3.096 -8.297 1.00 24.33 H new ATOM 0 HZ3 LYS A 39 -24.041 -2.088 -7.197 1.00 24.33 H new ATOM 599 N GLU A 40 -18.483 -4.887 -9.909 1.00 60.25 N ATOM 600 CA GLU A 40 -18.319 -4.924 -11.358 1.00 2.11 C ATOM 601 C GLU A 40 -17.098 -5.753 -11.746 1.00 50.03 C ATOM 602 O GLU A 40 -17.057 -6.354 -12.821 1.00 55.50 O ATOM 603 CB GLU A 40 -18.183 -3.505 -11.914 1.00 53.12 C ATOM 604 CG GLU A 40 -19.191 -2.526 -11.336 1.00 54.24 C ATOM 605 CD GLU A 40 -20.618 -2.855 -11.733 1.00 24.25 C ATOM 606 OE1 GLU A 40 -20.818 -3.855 -12.453 1.00 30.23 O ATOM 607 OE2 GLU A 40 -21.533 -2.112 -11.321 1.00 74.14 O ATOM 0 H GLU A 40 -18.204 -4.007 -9.474 1.00 60.25 H new ATOM 0 HA GLU A 40 -19.205 -5.391 -11.787 1.00 2.11 H new ATOM 0 HB2 GLU A 40 -17.176 -3.139 -11.711 1.00 53.12 H new ATOM 0 HB3 GLU A 40 -18.299 -3.536 -12.997 1.00 53.12 H new ATOM 0 HG2 GLU A 40 -19.111 -2.527 -10.249 1.00 54.24 H new ATOM 0 HG3 GLU A 40 -18.947 -1.518 -11.673 1.00 54.24 H new ATOM 614 N LEU A 41 -16.105 -5.781 -10.865 1.00 5.31 N ATOM 615 CA LEU A 41 -14.881 -6.535 -11.114 1.00 72.34 C ATOM 616 C LEU A 41 -15.180 -8.024 -11.262 1.00 51.20 C ATOM 617 O LEU A 41 -14.473 -8.742 -11.967 1.00 73.35 O ATOM 618 CB LEU A 41 -13.882 -6.314 -9.978 1.00 24.41 C ATOM 619 CG LEU A 41 -12.594 -7.136 -10.048 1.00 5.52 C ATOM 620 CD1 LEU A 41 -12.033 -7.130 -11.462 1.00 32.24 C ATOM 621 CD2 LEU A 41 -11.565 -6.599 -9.063 1.00 31.44 C ATOM 0 H LEU A 41 -16.123 -5.290 -9.971 1.00 5.31 H new ATOM 0 HA LEU A 41 -14.445 -6.176 -12.046 1.00 72.34 H new ATOM 0 HB2 LEU A 41 -13.615 -5.258 -9.956 1.00 24.41 H new ATOM 0 HB3 LEU A 41 -14.380 -6.536 -9.034 1.00 24.41 H new ATOM 0 HG LEU A 41 -12.827 -8.165 -9.776 1.00 5.52 H new ATOM 0 HD11 LEU A 41 -11.117 -7.720 -11.492 1.00 32.24 H new ATOM 0 HD12 LEU A 41 -12.765 -7.561 -12.146 1.00 32.24 H new ATOM 0 HD13 LEU A 41 -11.815 -6.105 -11.763 1.00 32.24 H new ATOM 0 HD21 LEU A 41 -10.655 -7.196 -9.126 1.00 31.44 H new ATOM 0 HD22 LEU A 41 -11.336 -5.561 -9.305 1.00 31.44 H new ATOM 0 HD23 LEU A 41 -11.966 -6.655 -8.051 1.00 31.44 H new ATOM 633 N GLY A 42 -16.234 -8.480 -10.592 1.00 54.14 N ATOM 634 CA GLY A 42 -16.610 -9.880 -10.664 1.00 3.11 C ATOM 635 C GLY A 42 -17.326 -10.223 -11.955 1.00 42.01 C ATOM 636 O GLY A 42 -17.182 -11.328 -12.479 1.00 50.33 O ATOM 0 H GLY A 42 -16.834 -7.905 -10.001 1.00 54.14 H new ATOM 0 HA2 GLY A 42 -15.717 -10.498 -10.572 1.00 3.11 H new ATOM 0 HA3 GLY A 42 -17.254 -10.124 -9.819 1.00 3.11 H new ATOM 640 N LYS A 43 -18.102 -9.275 -12.469 1.00 45.25 N ATOM 641 CA LYS A 43 -18.844 -9.481 -13.707 1.00 51.02 C ATOM 642 C LYS A 43 -17.895 -9.682 -14.884 1.00 42.12 C ATOM 643 O LYS A 43 -18.065 -10.604 -15.681 1.00 61.35 O ATOM 644 CB LYS A 43 -19.765 -8.289 -13.979 1.00 5.25 C ATOM 645 CG LYS A 43 -21.237 -8.598 -13.772 1.00 72.34 C ATOM 646 CD LYS A 43 -22.120 -7.708 -14.631 1.00 44.31 C ATOM 647 CE LYS A 43 -22.895 -8.517 -15.660 1.00 10.35 C ATOM 648 NZ LYS A 43 -23.951 -9.353 -15.025 1.00 73.24 N ATOM 0 H LYS A 43 -18.233 -8.356 -12.047 1.00 45.25 H new ATOM 0 HA LYS A 43 -19.448 -10.381 -13.593 1.00 51.02 H new ATOM 0 HB2 LYS A 43 -19.480 -7.464 -13.326 1.00 5.25 H new ATOM 0 HB3 LYS A 43 -19.614 -7.951 -15.004 1.00 5.25 H new ATOM 0 HG2 LYS A 43 -21.428 -9.644 -14.014 1.00 72.34 H new ATOM 0 HG3 LYS A 43 -21.494 -8.462 -12.722 1.00 72.34 H new ATOM 0 HD2 LYS A 43 -22.818 -7.163 -13.995 1.00 44.31 H new ATOM 0 HD3 LYS A 43 -21.505 -6.965 -15.139 1.00 44.31 H new ATOM 0 HE2 LYS A 43 -23.352 -7.842 -16.384 1.00 10.35 H new ATOM 0 HE3 LYS A 43 -22.207 -9.158 -16.212 1.00 10.35 H new ATOM 0 HZ1 LYS A 43 -24.523 -9.810 -15.764 1.00 73.24 H new ATOM 0 HZ2 LYS A 43 -23.506 -10.081 -14.430 1.00 73.24 H new ATOM 0 HZ3 LYS A 43 -24.563 -8.752 -14.437 1.00 73.24 H new ATOM 662 N VAL A 44 -16.894 -8.813 -14.986 1.00 63.32 N ATOM 663 CA VAL A 44 -15.916 -8.897 -16.064 1.00 64.22 C ATOM 664 C VAL A 44 -15.261 -10.273 -16.106 1.00 63.22 C ATOM 665 O VAL A 44 -14.865 -10.751 -17.169 1.00 31.31 O ATOM 666 CB VAL A 44 -14.821 -7.824 -15.914 1.00 21.13 C ATOM 667 CG1 VAL A 44 -13.774 -7.972 -17.007 1.00 61.11 C ATOM 668 CG2 VAL A 44 -15.434 -6.432 -15.936 1.00 4.13 C ATOM 0 H VAL A 44 -16.739 -8.043 -14.335 1.00 63.32 H new ATOM 0 HA VAL A 44 -16.456 -8.726 -16.995 1.00 64.22 H new ATOM 0 HB VAL A 44 -14.328 -7.964 -14.952 1.00 21.13 H new ATOM 0 HG11 VAL A 44 -13.009 -7.205 -16.884 1.00 61.11 H new ATOM 0 HG12 VAL A 44 -13.314 -8.958 -16.939 1.00 61.11 H new ATOM 0 HG13 VAL A 44 -14.248 -7.859 -17.982 1.00 61.11 H new ATOM 0 HG21 VAL A 44 -14.647 -5.686 -15.829 1.00 4.13 H new ATOM 0 HG22 VAL A 44 -15.953 -6.278 -16.882 1.00 4.13 H new ATOM 0 HG23 VAL A 44 -16.142 -6.333 -15.113 1.00 4.13 H new ATOM 678 N MET A 45 -15.150 -10.905 -14.942 1.00 60.54 N ATOM 679 CA MET A 45 -14.544 -12.229 -14.847 1.00 12.43 C ATOM 680 C MET A 45 -15.200 -13.199 -15.824 1.00 51.21 C ATOM 681 O MET A 45 -14.565 -14.141 -16.298 1.00 41.34 O ATOM 682 CB MET A 45 -14.664 -12.766 -13.419 1.00 41.31 C ATOM 683 CG MET A 45 -14.218 -11.774 -12.357 1.00 43.33 C ATOM 684 SD MET A 45 -12.567 -11.119 -12.668 1.00 62.03 S ATOM 685 CE MET A 45 -11.707 -12.602 -13.189 1.00 53.54 C ATOM 0 H MET A 45 -15.471 -10.523 -14.053 1.00 60.54 H new ATOM 0 HA MET A 45 -13.489 -12.138 -15.107 1.00 12.43 H new ATOM 0 HB2 MET A 45 -15.701 -13.046 -13.231 1.00 41.31 H new ATOM 0 HB3 MET A 45 -14.068 -13.674 -13.330 1.00 41.31 H new ATOM 0 HG2 MET A 45 -14.930 -10.949 -12.314 1.00 43.33 H new ATOM 0 HG3 MET A 45 -14.234 -12.260 -11.382 1.00 43.33 H new ATOM 0 HE1 MET A 45 -10.648 -12.513 -12.945 1.00 53.54 H new ATOM 0 HE2 MET A 45 -12.127 -13.466 -12.674 1.00 53.54 H new ATOM 0 HE3 MET A 45 -11.822 -12.730 -14.265 1.00 53.54 H new ATOM 695 N ARG A 46 -16.474 -12.963 -16.120 1.00 41.43 N ATOM 696 CA ARG A 46 -17.216 -13.817 -17.040 1.00 45.10 C ATOM 697 C ARG A 46 -16.572 -13.814 -18.424 1.00 11.43 C ATOM 698 O ARG A 46 -16.467 -14.854 -19.072 1.00 62.13 O ATOM 699 CB ARG A 46 -18.670 -13.353 -17.141 1.00 4.41 C ATOM 700 CG ARG A 46 -19.419 -13.405 -15.819 1.00 43.34 C ATOM 701 CD ARG A 46 -20.838 -13.919 -16.003 1.00 63.53 C ATOM 702 NE ARG A 46 -21.713 -13.514 -14.907 1.00 54.12 N ATOM 703 CZ ARG A 46 -23.039 -13.568 -14.967 1.00 73.13 C ATOM 704 NH1 ARG A 46 -23.639 -14.009 -16.064 1.00 50.05 N ATOM 705 NH2 ARG A 46 -23.768 -13.181 -13.928 1.00 72.31 N ATOM 0 H ARG A 46 -17.014 -12.187 -15.736 1.00 41.43 H new ATOM 0 HA ARG A 46 -17.193 -14.834 -16.650 1.00 45.10 H new ATOM 0 HB2 ARG A 46 -18.691 -12.332 -17.521 1.00 4.41 H new ATOM 0 HB3 ARG A 46 -19.191 -13.975 -17.869 1.00 4.41 H new ATOM 0 HG2 ARG A 46 -18.885 -14.050 -15.122 1.00 43.34 H new ATOM 0 HG3 ARG A 46 -19.446 -12.410 -15.375 1.00 43.34 H new ATOM 0 HD2 ARG A 46 -21.240 -13.545 -16.945 1.00 63.53 H new ATOM 0 HD3 ARG A 46 -20.823 -15.007 -16.072 1.00 63.53 H new ATOM 0 HE ARG A 46 -21.283 -13.171 -14.048 1.00 54.12 H new ATOM 0 HH11 ARG A 46 -23.082 -14.308 -16.865 1.00 50.05 H new ATOM 0 HH12 ARG A 46 -24.657 -14.049 -16.107 1.00 50.05 H new ATOM 0 HH21 ARG A 46 -23.310 -12.842 -13.082 1.00 72.31 H new ATOM 0 HH22 ARG A 46 -24.786 -13.223 -13.975 1.00 72.31 H new ATOM 719 N MET A 47 -16.144 -12.637 -18.869 1.00 13.32 N ATOM 720 CA MET A 47 -15.511 -12.499 -20.175 1.00 41.41 C ATOM 721 C MET A 47 -14.172 -13.228 -20.210 1.00 24.13 C ATOM 722 O MET A 47 -13.749 -13.723 -21.256 1.00 14.42 O ATOM 723 CB MET A 47 -15.309 -11.020 -20.514 1.00 24.51 C ATOM 724 CG MET A 47 -16.579 -10.193 -20.405 1.00 1.33 C ATOM 725 SD MET A 47 -17.688 -10.434 -21.806 1.00 44.30 S ATOM 726 CE MET A 47 -18.152 -8.742 -22.165 1.00 14.41 C ATOM 0 H MET A 47 -16.224 -11.766 -18.345 1.00 13.32 H new ATOM 0 HA MET A 47 -16.169 -12.948 -20.919 1.00 41.41 H new ATOM 0 HB2 MET A 47 -14.555 -10.602 -19.847 1.00 24.51 H new ATOM 0 HB3 MET A 47 -14.918 -10.938 -21.528 1.00 24.51 H new ATOM 0 HG2 MET A 47 -17.101 -10.455 -19.485 1.00 1.33 H new ATOM 0 HG3 MET A 47 -16.316 -9.138 -20.333 1.00 1.33 H new ATOM 0 HE1 MET A 47 -18.839 -8.725 -23.011 1.00 14.41 H new ATOM 0 HE2 MET A 47 -18.640 -8.306 -21.293 1.00 14.41 H new ATOM 0 HE3 MET A 47 -17.261 -8.164 -22.409 1.00 14.41 H new ATOM 736 N LEU A 48 -13.508 -13.291 -19.061 1.00 23.22 N ATOM 737 CA LEU A 48 -12.215 -13.960 -18.960 1.00 33.42 C ATOM 738 C LEU A 48 -12.384 -15.476 -18.978 1.00 70.25 C ATOM 739 O LEU A 48 -11.471 -16.208 -19.359 1.00 32.01 O ATOM 740 CB LEU A 48 -11.496 -13.532 -17.680 1.00 45.40 C ATOM 741 CG LEU A 48 -10.824 -12.158 -17.716 1.00 20.34 C ATOM 742 CD1 LEU A 48 -9.832 -12.079 -18.866 1.00 14.41 C ATOM 743 CD2 LEU A 48 -11.868 -11.057 -17.831 1.00 63.04 C ATOM 0 H LEU A 48 -13.843 -12.887 -18.186 1.00 23.22 H new ATOM 0 HA LEU A 48 -11.615 -13.669 -19.822 1.00 33.42 H new ATOM 0 HB2 LEU A 48 -12.216 -13.541 -16.862 1.00 45.40 H new ATOM 0 HB3 LEU A 48 -10.738 -14.279 -17.445 1.00 45.40 H new ATOM 0 HG LEU A 48 -10.278 -12.017 -16.783 1.00 20.34 H new ATOM 0 HD11 LEU A 48 -9.364 -11.095 -18.876 1.00 14.41 H new ATOM 0 HD12 LEU A 48 -9.066 -12.844 -18.739 1.00 14.41 H new ATOM 0 HD13 LEU A 48 -10.354 -12.242 -19.809 1.00 14.41 H new ATOM 0 HD21 LEU A 48 -11.372 -10.087 -17.855 1.00 63.04 H new ATOM 0 HD22 LEU A 48 -12.442 -11.194 -18.747 1.00 63.04 H new ATOM 0 HD23 LEU A 48 -12.539 -11.100 -16.973 1.00 63.04 H new ATOM 755 N GLY A 49 -13.560 -15.941 -18.566 1.00 42.05 N ATOM 756 CA GLY A 49 -13.828 -17.367 -18.546 1.00 23.15 C ATOM 757 C GLY A 49 -13.928 -17.918 -17.137 1.00 12.52 C ATOM 758 O GLY A 49 -13.884 -19.130 -16.934 1.00 23.44 O ATOM 0 H GLY A 49 -14.331 -15.355 -18.246 1.00 42.05 H new ATOM 0 HA2 GLY A 49 -14.758 -17.566 -19.078 1.00 23.15 H new ATOM 0 HA3 GLY A 49 -13.036 -17.890 -19.082 1.00 23.15 H new ATOM 762 N GLN A 50 -14.062 -17.024 -16.162 1.00 54.11 N ATOM 763 CA GLN A 50 -14.167 -17.428 -14.765 1.00 43.10 C ATOM 764 C GLN A 50 -15.325 -16.713 -14.077 1.00 4.24 C ATOM 765 O GLN A 50 -15.623 -15.559 -14.381 1.00 51.11 O ATOM 766 CB GLN A 50 -12.859 -17.133 -14.028 1.00 32.21 C ATOM 767 CG GLN A 50 -11.678 -17.943 -14.537 1.00 21.31 C ATOM 768 CD GLN A 50 -10.346 -17.389 -14.071 1.00 30.45 C ATOM 769 OE1 GLN A 50 -9.435 -17.176 -14.871 1.00 22.12 O ATOM 770 NE2 GLN A 50 -10.226 -17.153 -12.769 1.00 41.04 N ATOM 0 H GLN A 50 -14.100 -16.016 -16.314 1.00 54.11 H new ATOM 0 HA GLN A 50 -14.358 -18.501 -14.736 1.00 43.10 H new ATOM 0 HB2 GLN A 50 -12.629 -16.072 -14.124 1.00 32.21 H new ATOM 0 HB3 GLN A 50 -12.997 -17.335 -12.966 1.00 32.21 H new ATOM 0 HG2 GLN A 50 -11.777 -18.974 -14.198 1.00 21.31 H new ATOM 0 HG3 GLN A 50 -11.698 -17.962 -15.627 1.00 21.31 H new ATOM 0 HE21 GLN A 50 -11.007 -17.344 -12.142 1.00 41.04 H new ATOM 0 HE22 GLN A 50 -9.353 -16.780 -12.397 1.00 41.04 H new ATOM 779 N ASN A 51 -15.974 -17.407 -13.147 1.00 44.22 N ATOM 780 CA ASN A 51 -17.100 -16.838 -12.416 1.00 1.01 C ATOM 781 C ASN A 51 -17.034 -17.212 -10.938 1.00 45.42 C ATOM 782 O ASN A 51 -17.871 -17.952 -10.421 1.00 45.03 O ATOM 783 CB ASN A 51 -18.421 -17.321 -13.017 1.00 34.42 C ATOM 784 CG ASN A 51 -18.367 -17.419 -14.529 1.00 72.32 C ATOM 785 OD1 ASN A 51 -17.709 -18.301 -15.082 1.00 53.21 O ATOM 786 ND2 ASN A 51 -19.061 -16.511 -15.206 1.00 22.41 N ATOM 0 H ASN A 51 -15.739 -18.364 -12.882 1.00 44.22 H new ATOM 0 HA ASN A 51 -17.045 -15.753 -12.501 1.00 1.01 H new ATOM 0 HB2 ASN A 51 -18.671 -18.297 -12.601 1.00 34.42 H new ATOM 0 HB3 ASN A 51 -19.220 -16.638 -12.728 1.00 34.42 H new ATOM 0 HD21 ASN A 51 -19.063 -16.527 -16.226 1.00 22.41 H new ATOM 0 HD22 ASN A 51 -19.592 -15.798 -14.706 1.00 22.41 H new ATOM 793 N PRO A 52 -16.015 -16.687 -10.241 1.00 21.54 N ATOM 794 CA PRO A 52 -15.815 -16.951 -8.812 1.00 52.24 C ATOM 795 C PRO A 52 -16.879 -16.286 -7.946 1.00 12.20 C ATOM 796 O PRO A 52 -17.682 -15.488 -8.432 1.00 71.41 O ATOM 797 CB PRO A 52 -14.439 -16.344 -8.529 1.00 2.11 C ATOM 798 CG PRO A 52 -14.268 -15.290 -9.568 1.00 61.54 C ATOM 799 CD PRO A 52 -14.980 -15.797 -10.792 1.00 40.12 C ATOM 0 HA PRO A 52 -15.883 -18.014 -8.580 1.00 52.24 H new ATOM 0 HB2 PRO A 52 -14.392 -15.922 -7.525 1.00 2.11 H new ATOM 0 HB3 PRO A 52 -13.653 -17.096 -8.596 1.00 2.11 H new ATOM 0 HG2 PRO A 52 -14.690 -14.342 -9.235 1.00 61.54 H new ATOM 0 HG3 PRO A 52 -13.213 -15.114 -9.775 1.00 61.54 H new ATOM 0 HD2 PRO A 52 -15.417 -14.982 -11.369 1.00 40.12 H new ATOM 0 HD3 PRO A 52 -14.303 -16.332 -11.458 1.00 40.12 H new ATOM 807 N THR A 53 -16.880 -16.618 -6.659 1.00 14.04 N ATOM 808 CA THR A 53 -17.846 -16.054 -5.725 1.00 12.45 C ATOM 809 C THR A 53 -17.794 -14.530 -5.734 1.00 35.24 C ATOM 810 O THR A 53 -16.812 -13.921 -6.156 1.00 43.14 O ATOM 811 CB THR A 53 -17.599 -16.556 -4.289 1.00 53.24 C ATOM 812 OG1 THR A 53 -16.237 -16.972 -4.144 1.00 20.14 O ATOM 813 CG2 THR A 53 -18.527 -17.713 -3.954 1.00 34.51 C ATOM 0 H THR A 53 -16.222 -17.275 -6.240 1.00 14.04 H new ATOM 0 HA THR A 53 -18.832 -16.384 -6.053 1.00 12.45 H new ATOM 0 HB THR A 53 -17.803 -15.736 -3.600 1.00 53.24 H new ATOM 0 HG1 THR A 53 -16.087 -17.288 -3.229 1.00 20.14 H new ATOM 0 HG21 THR A 53 -18.334 -18.051 -2.936 1.00 34.51 H new ATOM 0 HG22 THR A 53 -19.563 -17.384 -4.038 1.00 34.51 H new ATOM 0 HG23 THR A 53 -18.350 -18.534 -4.648 1.00 34.51 H new ATOM 821 N PRO A 54 -18.877 -13.898 -5.256 1.00 5.30 N ATOM 822 CA PRO A 54 -18.978 -12.436 -5.197 1.00 62.45 C ATOM 823 C PRO A 54 -18.043 -11.832 -4.155 1.00 54.11 C ATOM 824 O PRO A 54 -17.335 -10.864 -4.431 1.00 33.02 O ATOM 825 CB PRO A 54 -20.439 -12.197 -4.809 1.00 21.45 C ATOM 826 CG PRO A 54 -20.847 -13.437 -4.090 1.00 12.10 C ATOM 827 CD PRO A 54 -20.084 -14.560 -4.736 1.00 33.32 C ATOM 0 HA PRO A 54 -18.692 -11.969 -6.139 1.00 62.45 H new ATOM 0 HB2 PRO A 54 -20.541 -11.318 -4.172 1.00 21.45 H new ATOM 0 HB3 PRO A 54 -21.060 -12.027 -5.689 1.00 21.45 H new ATOM 0 HG2 PRO A 54 -20.613 -13.367 -3.028 1.00 12.10 H new ATOM 0 HG3 PRO A 54 -21.922 -13.599 -4.170 1.00 12.10 H new ATOM 0 HD2 PRO A 54 -19.836 -15.342 -4.018 1.00 33.32 H new ATOM 0 HD3 PRO A 54 -20.659 -15.030 -5.533 1.00 33.32 H new ATOM 835 N GLU A 55 -18.047 -12.409 -2.958 1.00 22.52 N ATOM 836 CA GLU A 55 -17.199 -11.926 -1.875 1.00 2.14 C ATOM 837 C GLU A 55 -15.723 -12.095 -2.222 1.00 64.43 C ATOM 838 O GLU A 55 -14.874 -11.338 -1.753 1.00 64.32 O ATOM 839 CB GLU A 55 -17.517 -12.671 -0.576 1.00 51.35 C ATOM 840 CG GLU A 55 -19.002 -12.743 -0.265 1.00 75.40 C ATOM 841 CD GLU A 55 -19.602 -14.097 -0.594 1.00 40.22 C ATOM 842 OE1 GLU A 55 -19.049 -14.794 -1.470 1.00 22.33 O ATOM 843 OE2 GLU A 55 -20.625 -14.458 0.025 1.00 62.22 O ATOM 0 H GLU A 55 -18.628 -13.211 -2.714 1.00 22.52 H new ATOM 0 HA GLU A 55 -17.403 -10.864 -1.736 1.00 2.14 H new ATOM 0 HB2 GLU A 55 -17.118 -13.683 -0.640 1.00 51.35 H new ATOM 0 HB3 GLU A 55 -17.005 -12.179 0.250 1.00 51.35 H new ATOM 0 HG2 GLU A 55 -19.159 -12.527 0.792 1.00 75.40 H new ATOM 0 HG3 GLU A 55 -19.525 -11.971 -0.829 1.00 75.40 H new ATOM 850 N GLU A 56 -15.426 -13.095 -3.047 1.00 41.22 N ATOM 851 CA GLU A 56 -14.053 -13.364 -3.456 1.00 65.45 C ATOM 852 C GLU A 56 -13.437 -12.143 -4.134 1.00 71.41 C ATOM 853 O GLU A 56 -12.237 -11.893 -4.016 1.00 41.31 O ATOM 854 CB GLU A 56 -14.006 -14.565 -4.404 1.00 4.01 C ATOM 855 CG GLU A 56 -12.602 -15.096 -4.645 1.00 54.40 C ATOM 856 CD GLU A 56 -12.599 -16.426 -5.372 1.00 22.30 C ATOM 857 OE1 GLU A 56 -13.654 -17.094 -5.395 1.00 1.44 O ATOM 858 OE2 GLU A 56 -11.540 -16.800 -5.919 1.00 22.03 O ATOM 0 H GLU A 56 -16.117 -13.731 -3.444 1.00 41.22 H new ATOM 0 HA GLU A 56 -13.473 -13.592 -2.562 1.00 65.45 H new ATOM 0 HB2 GLU A 56 -14.623 -15.365 -3.994 1.00 4.01 H new ATOM 0 HB3 GLU A 56 -14.447 -14.280 -5.359 1.00 4.01 H new ATOM 0 HG2 GLU A 56 -12.037 -14.367 -5.226 1.00 54.40 H new ATOM 0 HG3 GLU A 56 -12.091 -15.208 -3.689 1.00 54.40 H new ATOM 865 N LEU A 57 -14.267 -11.387 -4.844 1.00 70.53 N ATOM 866 CA LEU A 57 -13.806 -10.192 -5.542 1.00 62.32 C ATOM 867 C LEU A 57 -13.210 -9.186 -4.563 1.00 43.01 C ATOM 868 O LEU A 57 -12.065 -8.761 -4.716 1.00 23.52 O ATOM 869 CB LEU A 57 -14.961 -9.550 -6.312 1.00 1.51 C ATOM 870 CG LEU A 57 -15.284 -10.164 -7.674 1.00 44.24 C ATOM 871 CD1 LEU A 57 -14.067 -10.110 -8.586 1.00 33.43 C ATOM 872 CD2 LEU A 57 -15.768 -11.597 -7.512 1.00 31.20 C ATOM 0 H LEU A 57 -15.263 -11.580 -4.952 1.00 70.53 H new ATOM 0 HA LEU A 57 -13.029 -10.489 -6.246 1.00 62.32 H new ATOM 0 HB2 LEU A 57 -15.856 -9.600 -5.692 1.00 1.51 H new ATOM 0 HB3 LEU A 57 -14.732 -8.494 -6.457 1.00 1.51 H new ATOM 0 HG LEU A 57 -16.083 -9.582 -8.133 1.00 44.24 H new ATOM 0 HD11 LEU A 57 -14.316 -10.552 -9.551 1.00 33.43 H new ATOM 0 HD12 LEU A 57 -13.765 -9.072 -8.729 1.00 33.43 H new ATOM 0 HD13 LEU A 57 -13.247 -10.667 -8.132 1.00 33.43 H new ATOM 0 HD21 LEU A 57 -15.993 -12.018 -8.492 1.00 31.20 H new ATOM 0 HD22 LEU A 57 -14.991 -12.191 -7.032 1.00 31.20 H new ATOM 0 HD23 LEU A 57 -16.667 -11.610 -6.896 1.00 31.20 H new ATOM 884 N GLN A 58 -13.994 -8.811 -3.557 1.00 44.15 N ATOM 885 CA GLN A 58 -13.542 -7.856 -2.553 1.00 1.33 C ATOM 886 C GLN A 58 -12.404 -8.438 -1.721 1.00 32.15 C ATOM 887 O GLN A 58 -11.595 -7.702 -1.158 1.00 42.40 O ATOM 888 CB GLN A 58 -14.703 -7.455 -1.641 1.00 40.11 C ATOM 889 CG GLN A 58 -14.263 -6.735 -0.377 1.00 12.05 C ATOM 890 CD GLN A 58 -15.264 -5.691 0.079 1.00 61.31 C ATOM 891 OE1 GLN A 58 -16.230 -6.003 0.776 1.00 24.14 O ATOM 892 NE2 GLN A 58 -15.038 -4.443 -0.314 1.00 30.02 N ATOM 0 H GLN A 58 -14.944 -9.154 -3.416 1.00 44.15 H new ATOM 0 HA GLN A 58 -13.173 -6.971 -3.071 1.00 1.33 H new ATOM 0 HB2 GLN A 58 -15.385 -6.812 -2.197 1.00 40.11 H new ATOM 0 HB3 GLN A 58 -15.262 -8.349 -1.364 1.00 40.11 H new ATOM 0 HG2 GLN A 58 -14.116 -7.464 0.420 1.00 12.05 H new ATOM 0 HG3 GLN A 58 -13.299 -6.257 -0.553 1.00 12.05 H new ATOM 0 HE21 GLN A 58 -14.225 -4.229 -0.891 1.00 30.02 H new ATOM 0 HE22 GLN A 58 -15.678 -3.698 -0.039 1.00 30.02 H new ATOM 901 N GLU A 59 -12.350 -9.764 -1.647 1.00 70.40 N ATOM 902 CA GLU A 59 -11.312 -10.445 -0.882 1.00 4.40 C ATOM 903 C GLU A 59 -9.925 -10.092 -1.413 1.00 73.14 C ATOM 904 O GLU A 59 -9.051 -9.665 -0.660 1.00 43.34 O ATOM 905 CB GLU A 59 -11.519 -11.960 -0.933 1.00 14.32 C ATOM 906 CG GLU A 59 -12.090 -12.539 0.350 1.00 34.24 C ATOM 907 CD GLU A 59 -11.074 -12.580 1.475 1.00 61.51 C ATOM 908 OE1 GLU A 59 -9.873 -12.756 1.182 1.00 44.24 O ATOM 909 OE2 GLU A 59 -11.479 -12.438 2.647 1.00 11.03 O ATOM 0 H GLU A 59 -13.013 -10.388 -2.107 1.00 70.40 H new ATOM 0 HA GLU A 59 -11.382 -10.111 0.153 1.00 4.40 H new ATOM 0 HB2 GLU A 59 -12.188 -12.199 -1.759 1.00 14.32 H new ATOM 0 HB3 GLU A 59 -10.565 -12.442 -1.146 1.00 14.32 H new ATOM 0 HG2 GLU A 59 -12.948 -11.944 0.662 1.00 34.24 H new ATOM 0 HG3 GLU A 59 -12.455 -13.548 0.158 1.00 34.24 H new ATOM 916 N MET A 60 -9.733 -10.275 -2.716 1.00 20.45 N ATOM 917 CA MET A 60 -8.454 -9.976 -3.348 1.00 65.42 C ATOM 918 C MET A 60 -8.191 -8.474 -3.360 1.00 51.24 C ATOM 919 O MET A 60 -7.040 -8.035 -3.347 1.00 75.44 O ATOM 920 CB MET A 60 -8.427 -10.522 -4.777 1.00 71.12 C ATOM 921 CG MET A 60 -7.069 -10.401 -5.449 1.00 1.10 C ATOM 922 SD MET A 60 -6.985 -11.295 -7.013 1.00 11.23 S ATOM 923 CE MET A 60 -6.656 -12.958 -6.435 1.00 5.33 C ATOM 0 H MET A 60 -10.446 -10.629 -3.353 1.00 20.45 H new ATOM 0 HA MET A 60 -7.668 -10.459 -2.767 1.00 65.42 H new ATOM 0 HB2 MET A 60 -8.723 -11.571 -4.762 1.00 71.12 H new ATOM 0 HB3 MET A 60 -9.167 -9.990 -5.374 1.00 71.12 H new ATOM 0 HG2 MET A 60 -6.847 -9.348 -5.624 1.00 1.10 H new ATOM 0 HG3 MET A 60 -6.300 -10.781 -4.776 1.00 1.10 H new ATOM 0 HE1 MET A 60 -6.577 -13.631 -7.289 1.00 5.33 H new ATOM 0 HE2 MET A 60 -5.721 -12.970 -5.875 1.00 5.33 H new ATOM 0 HE3 MET A 60 -7.470 -13.286 -5.789 1.00 5.33 H new ATOM 933 N ILE A 61 -9.264 -7.690 -3.386 1.00 31.53 N ATOM 934 CA ILE A 61 -9.148 -6.238 -3.399 1.00 14.42 C ATOM 935 C ILE A 61 -8.782 -5.703 -2.018 1.00 53.25 C ATOM 936 O ILE A 61 -8.240 -4.605 -1.891 1.00 10.15 O ATOM 937 CB ILE A 61 -10.458 -5.573 -3.864 1.00 5.21 C ATOM 938 CG1 ILE A 61 -10.742 -5.923 -5.326 1.00 23.42 C ATOM 939 CG2 ILE A 61 -10.380 -4.064 -3.681 1.00 23.52 C ATOM 940 CD1 ILE A 61 -12.043 -5.350 -5.843 1.00 24.22 C ATOM 0 H ILE A 61 -10.223 -8.037 -3.398 1.00 31.53 H new ATOM 0 HA ILE A 61 -8.354 -5.991 -4.104 1.00 14.42 H new ATOM 0 HB ILE A 61 -11.277 -5.952 -3.253 1.00 5.21 H new ATOM 0 HG12 ILE A 61 -9.922 -5.557 -5.944 1.00 23.42 H new ATOM 0 HG13 ILE A 61 -10.764 -7.007 -5.434 1.00 23.42 H new ATOM 0 HG21 ILE A 61 -11.313 -3.608 -4.014 1.00 23.52 H new ATOM 0 HG22 ILE A 61 -10.219 -3.833 -2.628 1.00 23.52 H new ATOM 0 HG23 ILE A 61 -9.553 -3.668 -4.270 1.00 23.52 H new ATOM 0 HD11 ILE A 61 -12.179 -5.638 -6.885 1.00 24.22 H new ATOM 0 HD12 ILE A 61 -12.872 -5.735 -5.249 1.00 24.22 H new ATOM 0 HD13 ILE A 61 -12.017 -4.263 -5.768 1.00 24.22 H new ATOM 952 N ASP A 62 -9.081 -6.487 -0.988 1.00 42.43 N ATOM 953 CA ASP A 62 -8.780 -6.094 0.384 1.00 55.44 C ATOM 954 C ASP A 62 -7.274 -6.011 0.608 1.00 42.12 C ATOM 955 O ASP A 62 -6.770 -5.024 1.143 1.00 51.25 O ATOM 956 CB ASP A 62 -9.401 -7.086 1.368 1.00 15.44 C ATOM 957 CG ASP A 62 -9.290 -6.620 2.807 1.00 62.11 C ATOM 958 OD1 ASP A 62 -8.245 -6.887 3.437 1.00 52.42 O ATOM 959 OD2 ASP A 62 -10.247 -5.990 3.303 1.00 34.10 O ATOM 0 H ASP A 62 -9.531 -7.398 -1.077 1.00 42.43 H new ATOM 0 HA ASP A 62 -9.209 -5.107 0.556 1.00 55.44 H new ATOM 0 HB2 ASP A 62 -10.451 -7.233 1.117 1.00 15.44 H new ATOM 0 HB3 ASP A 62 -8.909 -8.053 1.263 1.00 15.44 H new ATOM 964 N GLU A 63 -6.561 -7.055 0.196 1.00 11.10 N ATOM 965 CA GLU A 63 -5.112 -7.100 0.354 1.00 12.03 C ATOM 966 C GLU A 63 -4.430 -6.123 -0.599 1.00 71.23 C ATOM 967 O GLU A 63 -3.303 -5.689 -0.360 1.00 32.20 O ATOM 968 CB GLU A 63 -4.594 -8.518 0.106 1.00 22.12 C ATOM 969 CG GLU A 63 -4.014 -9.179 1.345 1.00 23.41 C ATOM 970 CD GLU A 63 -4.783 -10.419 1.759 1.00 11.32 C ATOM 971 OE1 GLU A 63 -4.873 -11.360 0.944 1.00 74.34 O ATOM 972 OE2 GLU A 63 -5.295 -10.447 2.898 1.00 61.22 O ATOM 0 H GLU A 63 -6.963 -7.880 -0.249 1.00 11.10 H new ATOM 0 HA GLU A 63 -4.874 -6.808 1.377 1.00 12.03 H new ATOM 0 HB2 GLU A 63 -5.410 -9.132 -0.275 1.00 22.12 H new ATOM 0 HB3 GLU A 63 -3.829 -8.486 -0.670 1.00 22.12 H new ATOM 0 HG2 GLU A 63 -2.974 -9.447 1.156 1.00 23.41 H new ATOM 0 HG3 GLU A 63 -4.015 -8.464 2.168 1.00 23.41 H new ATOM 979 N VAL A 64 -5.122 -5.782 -1.682 1.00 44.01 N ATOM 980 CA VAL A 64 -4.584 -4.857 -2.672 1.00 50.43 C ATOM 981 C VAL A 64 -4.766 -3.410 -2.228 1.00 3.42 C ATOM 982 O VAL A 64 -3.819 -2.623 -2.238 1.00 2.13 O ATOM 983 CB VAL A 64 -5.257 -5.049 -4.044 1.00 73.11 C ATOM 984 CG1 VAL A 64 -4.796 -3.978 -5.021 1.00 1.04 C ATOM 985 CG2 VAL A 64 -4.967 -6.439 -4.589 1.00 34.50 C ATOM 0 H VAL A 64 -6.056 -6.132 -1.896 1.00 44.01 H new ATOM 0 HA VAL A 64 -3.520 -5.075 -2.763 1.00 50.43 H new ATOM 0 HB VAL A 64 -6.335 -4.950 -3.917 1.00 73.11 H new ATOM 0 HG11 VAL A 64 -5.282 -4.131 -5.984 1.00 1.04 H new ATOM 0 HG12 VAL A 64 -5.060 -2.994 -4.633 1.00 1.04 H new ATOM 0 HG13 VAL A 64 -3.715 -4.041 -5.146 1.00 1.04 H new ATOM 0 HG21 VAL A 64 -5.450 -6.558 -5.559 1.00 34.50 H new ATOM 0 HG22 VAL A 64 -3.891 -6.568 -4.701 1.00 34.50 H new ATOM 0 HG23 VAL A 64 -5.352 -7.189 -3.898 1.00 34.50 H new ATOM 995 N ASP A 65 -5.988 -3.065 -1.838 1.00 30.50 N ATOM 996 CA ASP A 65 -6.294 -1.713 -1.388 1.00 15.33 C ATOM 997 C ASP A 65 -5.518 -1.373 -0.119 1.00 35.41 C ATOM 998 O ASP A 65 -5.850 -1.847 0.967 1.00 12.45 O ATOM 999 CB ASP A 65 -7.796 -1.563 -1.137 1.00 61.44 C ATOM 1000 CG ASP A 65 -8.270 -0.132 -1.297 1.00 70.32 C ATOM 1001 OD1 ASP A 65 -7.444 0.789 -1.127 1.00 12.20 O ATOM 1002 OD2 ASP A 65 -9.467 0.066 -1.593 1.00 44.35 O ATOM 0 H ASP A 65 -6.783 -3.704 -1.825 1.00 30.50 H new ATOM 0 HA ASP A 65 -5.993 -1.019 -2.173 1.00 15.33 H new ATOM 0 HB2 ASP A 65 -8.343 -2.203 -1.829 1.00 61.44 H new ATOM 0 HB3 ASP A 65 -8.029 -1.910 -0.130 1.00 61.44 H new ATOM 1007 N GLU A 66 -4.484 -0.552 -0.266 1.00 3.12 N ATOM 1008 CA GLU A 66 -3.660 -0.152 0.869 1.00 41.42 C ATOM 1009 C GLU A 66 -4.436 0.768 1.807 1.00 33.22 C ATOM 1010 O GLU A 66 -4.233 0.748 3.021 1.00 2.43 O ATOM 1011 CB GLU A 66 -2.391 0.551 0.383 1.00 4.51 C ATOM 1012 CG GLU A 66 -2.663 1.787 -0.459 1.00 32.33 C ATOM 1013 CD GLU A 66 -1.551 2.075 -1.449 1.00 34.12 C ATOM 1014 OE1 GLU A 66 -1.411 1.305 -2.423 1.00 1.55 O ATOM 1015 OE2 GLU A 66 -0.822 3.069 -1.250 1.00 72.22 O ATOM 0 H GLU A 66 -4.197 -0.151 -1.159 1.00 3.12 H new ATOM 0 HA GLU A 66 -3.381 -1.051 1.418 1.00 41.42 H new ATOM 0 HB2 GLU A 66 -1.790 0.835 1.247 1.00 4.51 H new ATOM 0 HB3 GLU A 66 -1.797 -0.152 -0.201 1.00 4.51 H new ATOM 0 HG2 GLU A 66 -3.600 1.655 -1.000 1.00 32.33 H new ATOM 0 HG3 GLU A 66 -2.792 2.648 0.197 1.00 32.33 H new ATOM 1022 N ASP A 67 -5.326 1.572 1.236 1.00 43.13 N ATOM 1023 CA ASP A 67 -6.134 2.499 2.020 1.00 65.11 C ATOM 1024 C ASP A 67 -7.501 1.899 2.330 1.00 14.22 C ATOM 1025 O ASP A 67 -8.276 2.461 3.104 1.00 62.13 O ATOM 1026 CB ASP A 67 -6.301 3.822 1.271 1.00 10.24 C ATOM 1027 CG ASP A 67 -6.724 3.622 -0.171 1.00 1.13 C ATOM 1028 OD1 ASP A 67 -7.893 3.248 -0.400 1.00 73.00 O ATOM 1029 OD2 ASP A 67 -5.886 3.840 -1.070 1.00 43.50 O ATOM 0 H ASP A 67 -5.506 1.601 0.232 1.00 43.13 H new ATOM 0 HA ASP A 67 -5.618 2.687 2.962 1.00 65.11 H new ATOM 0 HB2 ASP A 67 -7.043 4.435 1.783 1.00 10.24 H new ATOM 0 HB3 ASP A 67 -5.361 4.372 1.298 1.00 10.24 H new ATOM 1034 N GLY A 68 -7.792 0.754 1.720 1.00 14.10 N ATOM 1035 CA GLY A 68 -9.067 0.098 1.943 1.00 74.11 C ATOM 1036 C GLY A 68 -10.246 1.003 1.643 1.00 43.12 C ATOM 1037 O GLY A 68 -11.213 1.046 2.402 1.00 13.24 O ATOM 0 H GLY A 68 -7.168 0.269 1.075 1.00 14.10 H new ATOM 0 HA2 GLY A 68 -9.128 -0.792 1.317 1.00 74.11 H new ATOM 0 HA3 GLY A 68 -9.124 -0.236 2.979 1.00 74.11 H new ATOM 1041 N SER A 69 -10.164 1.730 0.533 1.00 71.32 N ATOM 1042 CA SER A 69 -11.230 2.643 0.137 1.00 62.22 C ATOM 1043 C SER A 69 -12.457 1.872 -0.340 1.00 20.55 C ATOM 1044 O SER A 69 -13.564 2.408 -0.381 1.00 24.52 O ATOM 1045 CB SER A 69 -10.742 3.581 -0.969 1.00 60.30 C ATOM 1046 OG SER A 69 -10.204 2.850 -2.057 1.00 73.34 O ATOM 0 H SER A 69 -9.371 1.704 -0.108 1.00 71.32 H new ATOM 0 HA SER A 69 -11.510 3.234 1.009 1.00 62.22 H new ATOM 0 HB2 SER A 69 -11.569 4.200 -1.316 1.00 60.30 H new ATOM 0 HB3 SER A 69 -9.985 4.256 -0.570 1.00 60.30 H new ATOM 0 HG SER A 69 -9.241 2.725 -1.923 1.00 73.34 H new ATOM 1052 N GLY A 70 -12.251 0.608 -0.699 1.00 35.00 N ATOM 1053 CA GLY A 70 -13.349 -0.218 -1.168 1.00 41.31 C ATOM 1054 C GLY A 70 -13.330 -0.407 -2.672 1.00 32.21 C ATOM 1055 O GLY A 70 -14.155 -1.136 -3.224 1.00 64.43 O ATOM 0 H GLY A 70 -11.344 0.142 -0.673 1.00 35.00 H new ATOM 0 HA2 GLY A 70 -13.300 -1.192 -0.682 1.00 41.31 H new ATOM 0 HA3 GLY A 70 -14.294 0.238 -0.874 1.00 41.31 H new ATOM 1059 N THR A 71 -12.388 0.252 -3.338 1.00 43.44 N ATOM 1060 CA THR A 71 -12.267 0.156 -4.787 1.00 64.45 C ATOM 1061 C THR A 71 -10.807 0.219 -5.223 1.00 20.33 C ATOM 1062 O THR A 71 -9.962 0.770 -4.517 1.00 64.54 O ATOM 1063 CB THR A 71 -13.050 1.279 -5.493 1.00 23.11 C ATOM 1064 OG1 THR A 71 -13.110 2.436 -4.652 1.00 52.53 O ATOM 1065 CG2 THR A 71 -14.459 0.822 -5.837 1.00 72.14 C ATOM 0 H THR A 71 -11.697 0.859 -2.897 1.00 43.44 H new ATOM 0 HA THR A 71 -12.689 -0.807 -5.075 1.00 64.45 H new ATOM 0 HB THR A 71 -12.531 1.529 -6.418 1.00 23.11 H new ATOM 0 HG1 THR A 71 -13.608 3.146 -5.108 1.00 52.53 H new ATOM 0 HG21 THR A 71 -14.993 1.632 -6.335 1.00 72.14 H new ATOM 0 HG22 THR A 71 -14.410 -0.042 -6.500 1.00 72.14 H new ATOM 0 HG23 THR A 71 -14.986 0.548 -4.923 1.00 72.14 H new ATOM 1073 N VAL A 72 -10.517 -0.348 -6.389 1.00 71.55 N ATOM 1074 CA VAL A 72 -9.159 -0.355 -6.920 1.00 10.11 C ATOM 1075 C VAL A 72 -8.992 0.692 -8.015 1.00 40.14 C ATOM 1076 O VAL A 72 -9.770 0.738 -8.968 1.00 70.14 O ATOM 1077 CB VAL A 72 -8.784 -1.738 -7.485 1.00 43.30 C ATOM 1078 CG1 VAL A 72 -7.627 -1.618 -8.466 1.00 13.11 C ATOM 1079 CG2 VAL A 72 -8.439 -2.698 -6.357 1.00 34.32 C ATOM 0 H VAL A 72 -11.205 -0.809 -6.985 1.00 71.55 H new ATOM 0 HA VAL A 72 -8.493 -0.118 -6.090 1.00 10.11 H new ATOM 0 HB VAL A 72 -9.644 -2.138 -8.022 1.00 43.30 H new ATOM 0 HG11 VAL A 72 -7.376 -2.605 -8.855 1.00 13.11 H new ATOM 0 HG12 VAL A 72 -7.915 -0.966 -9.290 1.00 13.11 H new ATOM 0 HG13 VAL A 72 -6.760 -1.197 -7.956 1.00 13.11 H new ATOM 0 HG21 VAL A 72 -8.177 -3.670 -6.774 1.00 34.32 H new ATOM 0 HG22 VAL A 72 -7.594 -2.306 -5.791 1.00 34.32 H new ATOM 0 HG23 VAL A 72 -9.299 -2.807 -5.696 1.00 34.32 H new ATOM 1089 N ASP A 73 -7.972 1.531 -7.873 1.00 51.33 N ATOM 1090 CA ASP A 73 -7.701 2.578 -8.852 1.00 31.00 C ATOM 1091 C ASP A 73 -6.602 2.147 -9.818 1.00 51.13 C ATOM 1092 O ASP A 73 -6.199 0.984 -9.837 1.00 43.03 O ATOM 1093 CB ASP A 73 -7.298 3.874 -8.146 1.00 63.42 C ATOM 1094 CG ASP A 73 -8.144 4.152 -6.919 1.00 42.25 C ATOM 1095 OD1 ASP A 73 -9.195 4.810 -7.062 1.00 13.35 O ATOM 1096 OD2 ASP A 73 -7.754 3.713 -5.817 1.00 61.11 O ATOM 0 H ASP A 73 -7.319 1.507 -7.090 1.00 51.33 H new ATOM 0 HA ASP A 73 -8.613 2.753 -9.423 1.00 31.00 H new ATOM 0 HB2 ASP A 73 -6.249 3.815 -7.855 1.00 63.42 H new ATOM 0 HB3 ASP A 73 -7.389 4.707 -8.843 1.00 63.42 H new ATOM 1101 N PHE A 74 -6.122 3.092 -10.620 1.00 53.01 N ATOM 1102 CA PHE A 74 -5.071 2.810 -11.591 1.00 34.12 C ATOM 1103 C PHE A 74 -3.835 2.239 -10.903 1.00 4.10 C ATOM 1104 O PHE A 74 -3.341 1.174 -11.274 1.00 2.12 O ATOM 1105 CB PHE A 74 -4.701 4.081 -12.358 1.00 13.24 C ATOM 1106 CG PHE A 74 -4.610 3.880 -13.843 1.00 42.12 C ATOM 1107 CD1 PHE A 74 -4.099 2.703 -14.366 1.00 72.01 C ATOM 1108 CD2 PHE A 74 -5.034 4.868 -14.717 1.00 0.42 C ATOM 1109 CE1 PHE A 74 -4.014 2.514 -15.733 1.00 0.52 C ATOM 1110 CE2 PHE A 74 -4.952 4.685 -16.084 1.00 44.42 C ATOM 1111 CZ PHE A 74 -4.440 3.508 -16.593 1.00 21.41 C ATOM 0 H PHE A 74 -6.444 4.060 -10.617 1.00 53.01 H new ATOM 0 HA PHE A 74 -5.450 2.068 -12.294 1.00 34.12 H new ATOM 0 HB2 PHE A 74 -5.443 4.851 -12.149 1.00 13.24 H new ATOM 0 HB3 PHE A 74 -3.744 4.452 -11.990 1.00 13.24 H new ATOM 0 HD1 PHE A 74 -3.763 1.924 -13.698 1.00 72.01 H new ATOM 0 HD2 PHE A 74 -5.433 5.792 -14.325 1.00 0.42 H new ATOM 0 HE1 PHE A 74 -3.615 1.591 -16.128 1.00 0.52 H new ATOM 0 HE2 PHE A 74 -5.288 5.462 -16.754 1.00 44.42 H new ATOM 0 HZ PHE A 74 -4.373 3.365 -17.661 1.00 21.41 H new ATOM 1121 N ASP A 75 -3.339 2.956 -9.900 1.00 35.40 N ATOM 1122 CA ASP A 75 -2.161 2.522 -9.159 1.00 63.42 C ATOM 1123 C ASP A 75 -2.410 1.178 -8.480 1.00 42.42 C ATOM 1124 O ASP A 75 -1.687 0.211 -8.715 1.00 72.41 O ATOM 1125 CB ASP A 75 -1.773 3.570 -8.116 1.00 0.53 C ATOM 1126 CG ASP A 75 -0.925 4.683 -8.700 1.00 71.05 C ATOM 1127 OD1 ASP A 75 0.309 4.510 -8.777 1.00 1.24 O ATOM 1128 OD2 ASP A 75 -1.496 5.727 -9.081 1.00 62.22 O ATOM 0 H ASP A 75 -3.735 3.841 -9.582 1.00 35.40 H new ATOM 0 HA ASP A 75 -1.340 2.405 -9.867 1.00 63.42 H new ATOM 0 HB2 ASP A 75 -2.677 3.996 -7.680 1.00 0.53 H new ATOM 0 HB3 ASP A 75 -1.226 3.087 -7.306 1.00 0.53 H new ATOM 1133 N GLU A 76 -3.436 1.129 -7.637 1.00 32.42 N ATOM 1134 CA GLU A 76 -3.778 -0.096 -6.922 1.00 54.35 C ATOM 1135 C GLU A 76 -3.943 -1.263 -7.891 1.00 71.05 C ATOM 1136 O GLU A 76 -3.618 -2.405 -7.565 1.00 43.43 O ATOM 1137 CB GLU A 76 -5.065 0.099 -6.118 1.00 54.43 C ATOM 1138 CG GLU A 76 -4.826 0.360 -4.641 1.00 12.53 C ATOM 1139 CD GLU A 76 -6.090 0.767 -3.908 1.00 70.10 C ATOM 1140 OE1 GLU A 76 -7.133 0.111 -4.114 1.00 4.43 O ATOM 1141 OE2 GLU A 76 -6.036 1.741 -3.128 1.00 43.24 O ATOM 0 H GLU A 76 -4.044 1.922 -7.432 1.00 32.42 H new ATOM 0 HA GLU A 76 -2.962 -0.327 -6.237 1.00 54.35 H new ATOM 0 HB2 GLU A 76 -5.624 0.934 -6.540 1.00 54.43 H new ATOM 0 HB3 GLU A 76 -5.688 -0.789 -6.225 1.00 54.43 H new ATOM 0 HG2 GLU A 76 -4.416 -0.538 -4.179 1.00 12.53 H new ATOM 0 HG3 GLU A 76 -4.078 1.145 -4.531 1.00 12.53 H new ATOM 1148 N TRP A 77 -4.451 -0.968 -9.083 1.00 3.14 N ATOM 1149 CA TRP A 77 -4.660 -1.993 -10.099 1.00 45.54 C ATOM 1150 C TRP A 77 -3.334 -2.427 -10.715 1.00 0.21 C ATOM 1151 O TRP A 77 -3.191 -3.563 -11.169 1.00 15.01 O ATOM 1152 CB TRP A 77 -5.597 -1.473 -11.191 1.00 31.52 C ATOM 1153 CG TRP A 77 -5.893 -2.490 -12.252 1.00 13.40 C ATOM 1154 CD1 TRP A 77 -7.025 -3.246 -12.370 1.00 5.33 C ATOM 1155 CD2 TRP A 77 -5.044 -2.862 -13.343 1.00 54.52 C ATOM 1156 NE1 TRP A 77 -6.930 -4.065 -13.469 1.00 21.35 N ATOM 1157 CE2 TRP A 77 -5.725 -3.848 -14.083 1.00 71.21 C ATOM 1158 CE3 TRP A 77 -3.777 -2.456 -13.769 1.00 4.15 C ATOM 1159 CZ2 TRP A 77 -5.178 -4.434 -15.222 1.00 14.41 C ATOM 1160 CZ3 TRP A 77 -3.235 -3.038 -14.899 1.00 32.23 C ATOM 1161 CH2 TRP A 77 -3.936 -4.018 -15.615 1.00 44.45 C ATOM 0 H TRP A 77 -4.725 -0.028 -9.369 1.00 3.14 H new ATOM 0 HA TRP A 77 -5.117 -2.858 -9.619 1.00 45.54 H new ATOM 0 HB2 TRP A 77 -6.533 -1.152 -10.734 1.00 31.52 H new ATOM 0 HB3 TRP A 77 -5.150 -0.594 -11.655 1.00 31.52 H new ATOM 0 HD1 TRP A 77 -7.870 -3.206 -11.698 1.00 5.33 H new ATOM 0 HE1 TRP A 77 -7.642 -4.727 -13.778 1.00 21.35 H new ATOM 0 HE3 TRP A 77 -3.230 -1.700 -13.224 1.00 4.15 H new ATOM 0 HZ2 TRP A 77 -5.716 -5.190 -15.775 1.00 14.41 H new ATOM 0 HZ3 TRP A 77 -2.255 -2.733 -15.236 1.00 32.23 H new ATOM 0 HH2 TRP A 77 -3.486 -4.453 -16.495 1.00 44.45 H new ATOM 1172 N LEU A 78 -2.366 -1.517 -10.727 1.00 52.13 N ATOM 1173 CA LEU A 78 -1.051 -1.807 -11.287 1.00 43.33 C ATOM 1174 C LEU A 78 -0.324 -2.858 -10.454 1.00 43.44 C ATOM 1175 O LEU A 78 0.287 -3.780 -10.995 1.00 3.31 O ATOM 1176 CB LEU A 78 -0.213 -0.529 -11.361 1.00 11.22 C ATOM 1177 CG LEU A 78 0.034 0.032 -12.762 1.00 0.24 C ATOM 1178 CD1 LEU A 78 -0.001 1.552 -12.742 1.00 3.44 C ATOM 1179 CD2 LEU A 78 1.364 -0.466 -13.308 1.00 40.45 C ATOM 0 H LEU A 78 -2.467 -0.573 -10.355 1.00 52.13 H new ATOM 0 HA LEU A 78 -1.191 -2.201 -12.294 1.00 43.33 H new ATOM 0 HB2 LEU A 78 -0.706 0.240 -10.765 1.00 11.22 H new ATOM 0 HB3 LEU A 78 0.752 -0.724 -10.894 1.00 11.22 H new ATOM 0 HG LEU A 78 -0.761 -0.320 -13.420 1.00 0.24 H new ATOM 0 HD11 LEU A 78 0.177 1.933 -13.748 1.00 3.44 H new ATOM 0 HD12 LEU A 78 -0.977 1.889 -12.393 1.00 3.44 H new ATOM 0 HD13 LEU A 78 0.772 1.925 -12.071 1.00 3.44 H new ATOM 0 HD21 LEU A 78 1.524 -0.057 -14.306 1.00 40.45 H new ATOM 0 HD22 LEU A 78 2.171 -0.143 -12.650 1.00 40.45 H new ATOM 0 HD23 LEU A 78 1.351 -1.555 -13.360 1.00 40.45 H new ATOM 1191 N VAL A 79 -0.396 -2.713 -9.135 1.00 21.30 N ATOM 1192 CA VAL A 79 0.252 -3.652 -8.227 1.00 2.13 C ATOM 1193 C VAL A 79 -0.256 -5.072 -8.450 1.00 4.04 C ATOM 1194 O VAL A 79 0.436 -6.044 -8.146 1.00 54.20 O ATOM 1195 CB VAL A 79 0.020 -3.260 -6.755 1.00 72.33 C ATOM 1196 CG1 VAL A 79 0.246 -1.769 -6.557 1.00 71.32 C ATOM 1197 CG2 VAL A 79 -1.380 -3.659 -6.313 1.00 71.01 C ATOM 0 H VAL A 79 -0.896 -1.955 -8.671 1.00 21.30 H new ATOM 0 HA VAL A 79 1.320 -3.614 -8.441 1.00 2.13 H new ATOM 0 HB VAL A 79 0.739 -3.797 -6.136 1.00 72.33 H new ATOM 0 HG11 VAL A 79 0.077 -1.511 -5.511 1.00 71.32 H new ATOM 0 HG12 VAL A 79 1.270 -1.516 -6.833 1.00 71.32 H new ATOM 0 HG13 VAL A 79 -0.447 -1.209 -7.185 1.00 71.32 H new ATOM 0 HG21 VAL A 79 -1.527 -3.375 -5.271 1.00 71.01 H new ATOM 0 HG22 VAL A 79 -2.117 -3.151 -6.935 1.00 71.01 H new ATOM 0 HG23 VAL A 79 -1.500 -4.737 -6.416 1.00 71.01 H new ATOM 1207 N MET A 80 -1.468 -5.184 -8.982 1.00 61.15 N ATOM 1208 CA MET A 80 -2.068 -6.486 -9.248 1.00 30.51 C ATOM 1209 C MET A 80 -1.228 -7.279 -10.245 1.00 13.03 C ATOM 1210 O MET A 80 -0.795 -8.394 -9.957 1.00 21.14 O ATOM 1211 CB MET A 80 -3.491 -6.317 -9.783 1.00 50.55 C ATOM 1212 CG MET A 80 -4.427 -7.449 -9.393 1.00 3.14 C ATOM 1213 SD MET A 80 -6.135 -6.904 -9.203 1.00 71.23 S ATOM 1214 CE MET A 80 -6.306 -5.826 -10.623 1.00 50.12 C ATOM 0 H MET A 80 -2.054 -4.389 -9.237 1.00 61.15 H new ATOM 0 HA MET A 80 -2.104 -7.039 -8.310 1.00 30.51 H new ATOM 0 HB2 MET A 80 -3.899 -5.376 -9.414 1.00 50.55 H new ATOM 0 HB3 MET A 80 -3.455 -6.245 -10.870 1.00 50.55 H new ATOM 0 HG2 MET A 80 -4.381 -8.231 -10.151 1.00 3.14 H new ATOM 0 HG3 MET A 80 -4.085 -7.892 -8.458 1.00 3.14 H new ATOM 0 HE1 MET A 80 -7.361 -5.722 -10.876 1.00 50.12 H new ATOM 0 HE2 MET A 80 -5.891 -4.846 -10.388 1.00 50.12 H new ATOM 0 HE3 MET A 80 -5.770 -6.253 -11.471 1.00 50.12 H new ATOM 1224 N MET A 81 -1.003 -6.696 -11.418 1.00 12.25 N ATOM 1225 CA MET A 81 -0.214 -7.348 -12.456 1.00 74.31 C ATOM 1226 C MET A 81 1.246 -7.473 -12.032 1.00 75.22 C ATOM 1227 O MET A 81 1.913 -8.456 -12.353 1.00 34.32 O ATOM 1228 CB MET A 81 -0.312 -6.566 -13.767 1.00 62.34 C ATOM 1229 CG MET A 81 -0.018 -5.083 -13.614 1.00 0.25 C ATOM 1230 SD MET A 81 0.203 -4.251 -15.198 1.00 4.43 S ATOM 1231 CE MET A 81 -0.761 -5.309 -16.274 1.00 13.33 C ATOM 0 H MET A 81 -1.356 -5.774 -11.673 1.00 12.25 H new ATOM 0 HA MET A 81 -0.616 -8.350 -12.608 1.00 74.31 H new ATOM 0 HB2 MET A 81 0.385 -6.993 -14.488 1.00 62.34 H new ATOM 0 HB3 MET A 81 -1.313 -6.689 -14.180 1.00 62.34 H new ATOM 0 HG2 MET A 81 -0.835 -4.609 -13.070 1.00 0.25 H new ATOM 0 HG3 MET A 81 0.882 -4.955 -13.012 1.00 0.25 H new ATOM 0 HE1 MET A 81 -0.885 -4.826 -17.243 1.00 13.33 H new ATOM 0 HE2 MET A 81 -0.245 -6.260 -16.406 1.00 13.33 H new ATOM 0 HE3 MET A 81 -1.740 -5.486 -15.829 1.00 13.33 H new ATOM 1241 N ALA A 82 1.735 -6.471 -11.310 1.00 43.54 N ATOM 1242 CA ALA A 82 3.116 -6.470 -10.842 1.00 15.34 C ATOM 1243 C ALA A 82 3.457 -7.778 -10.137 1.00 33.21 C ATOM 1244 O ALA A 82 4.464 -8.416 -10.445 1.00 10.42 O ATOM 1245 CB ALA A 82 3.357 -5.289 -9.913 1.00 34.25 C ATOM 0 H ALA A 82 1.196 -5.649 -11.036 1.00 43.54 H new ATOM 0 HA ALA A 82 3.768 -6.375 -11.710 1.00 15.34 H new ATOM 0 HB1 ALA A 82 4.392 -5.300 -9.571 1.00 34.25 H new ATOM 0 HB2 ALA A 82 3.162 -4.360 -10.448 1.00 34.25 H new ATOM 0 HB3 ALA A 82 2.690 -5.360 -9.054 1.00 34.25 H new ATOM 1251 N ARG A 83 2.612 -8.173 -9.190 1.00 11.42 N ATOM 1252 CA ARG A 83 2.826 -9.405 -8.440 1.00 53.40 C ATOM 1253 C ARG A 83 2.782 -10.618 -9.364 1.00 72.02 C ATOM 1254 O ARG A 83 3.355 -11.664 -9.059 1.00 22.32 O ATOM 1255 CB ARG A 83 1.770 -9.548 -7.342 1.00 5.02 C ATOM 1256 CG ARG A 83 2.339 -9.459 -5.935 1.00 43.32 C ATOM 1257 CD ARG A 83 1.242 -9.254 -4.902 1.00 40.15 C ATOM 1258 NE ARG A 83 0.948 -10.480 -4.166 1.00 30.13 N ATOM 1259 CZ ARG A 83 0.079 -10.545 -3.163 1.00 2.51 C ATOM 1260 NH1 ARG A 83 -0.578 -9.458 -2.780 1.00 22.51 N ATOM 1261 NH2 ARG A 83 -0.134 -11.697 -2.541 1.00 73.35 N ATOM 0 H ARG A 83 1.773 -7.658 -8.924 1.00 11.42 H new ATOM 0 HA ARG A 83 3.813 -9.355 -7.981 1.00 53.40 H new ATOM 0 HB2 ARG A 83 1.017 -8.770 -7.470 1.00 5.02 H new ATOM 0 HB3 ARG A 83 1.263 -10.506 -7.460 1.00 5.02 H new ATOM 0 HG2 ARG A 83 2.890 -10.371 -5.706 1.00 43.32 H new ATOM 0 HG3 ARG A 83 3.050 -8.635 -5.880 1.00 43.32 H new ATOM 0 HD2 ARG A 83 1.544 -8.475 -4.202 1.00 40.15 H new ATOM 0 HD3 ARG A 83 0.337 -8.903 -5.399 1.00 40.15 H new ATOM 0 HE ARG A 83 1.437 -11.334 -4.437 1.00 30.13 H new ATOM 0 HH11 ARG A 83 -0.416 -8.570 -3.256 1.00 22.51 H new ATOM 0 HH12 ARG A 83 -1.245 -9.510 -2.010 1.00 22.51 H new ATOM 0 HH21 ARG A 83 0.370 -12.535 -2.832 1.00 73.35 H new ATOM 0 HH22 ARG A 83 -0.801 -11.745 -1.771 1.00 73.35 H new ATOM 1275 N CYS A 84 2.098 -10.471 -10.493 1.00 51.43 N ATOM 1276 CA CYS A 84 1.978 -11.555 -11.462 1.00 13.24 C ATOM 1277 C CYS A 84 3.317 -11.831 -12.137 1.00 71.32 C ATOM 1278 O CYS A 84 3.504 -12.874 -12.763 1.00 32.41 O ATOM 1279 CB CYS A 84 0.923 -11.212 -12.514 1.00 52.33 C ATOM 1280 SG CYS A 84 0.241 -12.650 -13.372 1.00 14.02 S ATOM 0 H CYS A 84 1.618 -9.612 -10.760 1.00 51.43 H new ATOM 0 HA CYS A 84 1.669 -12.454 -10.929 1.00 13.24 H new ATOM 0 HB2 CYS A 84 0.109 -10.669 -12.033 1.00 52.33 H new ATOM 0 HB3 CYS A 84 1.364 -10.539 -13.249 1.00 52.33 H new ATOM 0 HG CYS A 84 -0.644 -12.258 -14.240 1.00 14.02 H new ATOM 1286 N MET A 85 4.245 -10.889 -12.008 1.00 11.24 N ATOM 1287 CA MET A 85 5.567 -11.031 -12.606 1.00 70.24 C ATOM 1288 C MET A 85 6.425 -12.005 -11.805 1.00 11.34 C ATOM 1289 O MET A 85 7.369 -12.595 -12.330 1.00 73.14 O ATOM 1290 CB MET A 85 6.262 -9.671 -12.690 1.00 54.41 C ATOM 1291 CG MET A 85 5.619 -8.721 -13.688 1.00 2.20 C ATOM 1292 SD MET A 85 6.058 -9.105 -15.394 1.00 43.31 S ATOM 1293 CE MET A 85 4.985 -7.978 -16.282 1.00 21.34 C ATOM 0 H MET A 85 4.106 -10.019 -11.494 1.00 11.24 H new ATOM 0 HA MET A 85 5.441 -11.429 -13.613 1.00 70.24 H new ATOM 0 HB2 MET A 85 6.256 -9.207 -11.704 1.00 54.41 H new ATOM 0 HB3 MET A 85 7.306 -9.822 -12.965 1.00 54.41 H new ATOM 0 HG2 MET A 85 4.535 -8.763 -13.577 1.00 2.20 H new ATOM 0 HG3 MET A 85 5.923 -7.700 -13.460 1.00 2.20 H new ATOM 0 HE1 MET A 85 5.285 -7.939 -17.329 1.00 21.34 H new ATOM 0 HE2 MET A 85 3.954 -8.326 -16.212 1.00 21.34 H new ATOM 0 HE3 MET A 85 5.062 -6.982 -15.846 1.00 21.34 H new