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 35 CYS SG : rot 20:sc= 0.772 USER MOD Set 1.2: A 71 THR OG1 : rot -173:sc= -0.0377 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -127:sc= -0.381 (180deg=-2.45!) USER MOD Single : A 11 GLN : amide:sc= -0.0745 K(o=-0.075,f=-0.81) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.182 USER MOD Single : A 16 GLN : amide:sc= -0.445 X(o=-0.45,f=-0.37) USER MOD Single : A 17 LYS NZ :NH3+ 160:sc= -0.086 (180deg=-0.454) USER MOD Single : A 18 ASN : amide:sc= -0.141 K(o=-0.14,f=-1.4) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -170:sc= -0.869 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -158:sc= -1.88! (180deg=-2.72!) USER MOD Single : A 47 MET CE :methyl 179:sc= 0 (180deg=-0.00312) USER MOD Single : A 50 GLN : amide:sc= -0.0531 X(o=-0.053,f=-0.12) USER MOD Single : A 51 ASN : amide:sc= -0.271 X(o=-0.27,f=-0.7) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.689 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 69 SER OG : rot 54:sc= 1.16 USER MOD Single : A 80 MET CE :methyl -155:sc= -0.166 (180deg=-1.48) USER MOD Single : A 81 MET CE :methyl 152:sc= -0.492 (180deg=-1.29) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N TYR A 5 6.739 -5.423 -5.517 1.00 15.31 N ATOM 62 CA TYR A 5 5.841 -5.289 -6.658 1.00 14.41 C ATOM 63 C TYR A 5 6.166 -4.034 -7.462 1.00 55.24 C ATOM 64 O TYR A 5 6.015 -4.008 -8.684 1.00 74.11 O ATOM 65 CB TYR A 5 4.386 -5.243 -6.186 1.00 62.23 C ATOM 66 CG TYR A 5 3.917 -6.529 -5.544 1.00 25.12 C ATOM 67 CD1 TYR A 5 4.202 -7.761 -6.120 1.00 54.12 C ATOM 68 CD2 TYR A 5 3.191 -6.512 -4.359 1.00 61.23 C ATOM 69 CE1 TYR A 5 3.775 -8.938 -5.537 1.00 33.01 C ATOM 70 CE2 TYR A 5 2.761 -7.684 -3.768 1.00 63.51 C ATOM 71 CZ TYR A 5 3.055 -8.895 -4.361 1.00 1.30 C ATOM 72 OH TYR A 5 2.629 -10.065 -3.776 1.00 62.21 O ATOM 0 HA TYR A 5 5.980 -6.158 -7.302 1.00 14.41 H new ATOM 0 HB2 TYR A 5 4.270 -4.427 -5.473 1.00 62.23 H new ATOM 0 HB3 TYR A 5 3.744 -5.016 -7.037 1.00 62.23 H new ATOM 0 HD1 TYR A 5 4.767 -7.799 -7.040 1.00 54.12 H new ATOM 0 HD2 TYR A 5 2.959 -5.566 -3.892 1.00 61.23 H new ATOM 0 HE1 TYR A 5 4.004 -9.887 -5.999 1.00 33.01 H new ATOM 0 HE2 TYR A 5 2.198 -7.653 -2.847 1.00 63.51 H new ATOM 0 HH TYR A 5 2.137 -9.859 -2.954 1.00 62.21 H new ATOM 82 N LYS A 6 6.614 -2.993 -6.768 1.00 73.40 N ATOM 83 CA LYS A 6 6.963 -1.734 -7.415 1.00 30.30 C ATOM 84 C LYS A 6 8.183 -1.905 -8.314 1.00 43.31 C ATOM 85 O LYS A 6 8.335 -1.199 -9.310 1.00 43.44 O ATOM 86 CB LYS A 6 7.237 -0.656 -6.364 1.00 61.01 C ATOM 87 CG LYS A 6 6.242 -0.658 -5.217 1.00 12.21 C ATOM 88 CD LYS A 6 4.809 -0.711 -5.721 1.00 65.23 C ATOM 89 CE LYS A 6 4.473 0.503 -6.574 1.00 21.23 C ATOM 90 NZ LYS A 6 3.005 0.742 -6.644 1.00 31.41 N ATOM 0 H LYS A 6 6.744 -2.997 -5.756 1.00 73.40 H new ATOM 0 HA LYS A 6 6.119 -1.425 -8.032 1.00 30.30 H new ATOM 0 HB2 LYS A 6 8.241 -0.798 -5.963 1.00 61.01 H new ATOM 0 HB3 LYS A 6 7.221 0.322 -6.846 1.00 61.01 H new ATOM 0 HG2 LYS A 6 6.433 -1.514 -4.570 1.00 12.21 H new ATOM 0 HG3 LYS A 6 6.382 0.237 -4.611 1.00 12.21 H new ATOM 0 HD2 LYS A 6 4.661 -1.619 -6.305 1.00 65.23 H new ATOM 0 HD3 LYS A 6 4.126 -0.762 -4.873 1.00 65.23 H new ATOM 0 HE2 LYS A 6 4.965 1.384 -6.162 1.00 21.23 H new ATOM 0 HE3 LYS A 6 4.866 0.360 -7.581 1.00 21.23 H new ATOM 0 HZ1 LYS A 6 2.711 0.809 -7.639 1.00 31.41 H new ATOM 0 HZ2 LYS A 6 2.503 -0.046 -6.187 1.00 31.41 H new ATOM 0 HZ3 LYS A 6 2.774 1.630 -6.154 1.00 31.41 H new ATOM 104 N ALA A 7 9.049 -2.847 -7.956 1.00 64.11 N ATOM 105 CA ALA A 7 10.254 -3.112 -8.733 1.00 21.23 C ATOM 106 C ALA A 7 9.910 -3.705 -10.095 1.00 33.01 C ATOM 107 O ALA A 7 10.282 -3.158 -11.132 1.00 51.14 O ATOM 108 CB ALA A 7 11.180 -4.046 -7.968 1.00 4.24 C ATOM 0 H ALA A 7 8.939 -3.439 -7.133 1.00 64.11 H new ATOM 0 HA ALA A 7 10.766 -2.164 -8.897 1.00 21.23 H new ATOM 0 HB1 ALA A 7 12.076 -4.235 -8.560 1.00 4.24 H new ATOM 0 HB2 ALA A 7 11.461 -3.585 -7.021 1.00 4.24 H new ATOM 0 HB3 ALA A 7 10.667 -4.988 -7.774 1.00 4.24 H new ATOM 114 N ALA A 8 9.197 -4.827 -10.084 1.00 5.02 N ATOM 115 CA ALA A 8 8.802 -5.493 -11.319 1.00 1.04 C ATOM 116 C ALA A 8 8.099 -4.525 -12.264 1.00 1.42 C ATOM 117 O ALA A 8 8.442 -4.433 -13.443 1.00 32.13 O ATOM 118 CB ALA A 8 7.903 -6.681 -11.013 1.00 34.44 C ATOM 0 H ALA A 8 8.881 -5.293 -9.234 1.00 5.02 H new ATOM 0 HA ALA A 8 9.704 -5.852 -11.814 1.00 1.04 H new ATOM 0 HB1 ALA A 8 7.615 -7.169 -11.944 1.00 34.44 H new ATOM 0 HB2 ALA A 8 8.439 -7.390 -10.382 1.00 34.44 H new ATOM 0 HB3 ALA A 8 7.009 -6.336 -10.493 1.00 34.44 H new ATOM 124 N VAL A 9 7.113 -3.803 -11.739 1.00 63.53 N ATOM 125 CA VAL A 9 6.362 -2.841 -12.537 1.00 20.35 C ATOM 126 C VAL A 9 7.263 -1.717 -13.033 1.00 43.44 C ATOM 127 O VAL A 9 7.096 -1.221 -14.147 1.00 44.12 O ATOM 128 CB VAL A 9 5.197 -2.234 -11.732 1.00 44.23 C ATOM 129 CG1 VAL A 9 5.721 -1.483 -10.517 1.00 63.44 C ATOM 130 CG2 VAL A 9 4.361 -1.319 -12.615 1.00 23.05 C ATOM 0 H VAL A 9 6.816 -3.866 -10.765 1.00 63.53 H new ATOM 0 HA VAL A 9 5.959 -3.384 -13.392 1.00 20.35 H new ATOM 0 HB VAL A 9 4.559 -3.045 -11.380 1.00 44.23 H new ATOM 0 HG11 VAL A 9 4.884 -1.061 -9.961 1.00 63.44 H new ATOM 0 HG12 VAL A 9 6.274 -2.169 -9.876 1.00 63.44 H new ATOM 0 HG13 VAL A 9 6.382 -0.680 -10.843 1.00 63.44 H new ATOM 0 HG21 VAL A 9 3.542 -0.898 -12.031 1.00 23.05 H new ATOM 0 HG22 VAL A 9 4.986 -0.512 -12.997 1.00 23.05 H new ATOM 0 HG23 VAL A 9 3.955 -1.890 -13.450 1.00 23.05 H new ATOM 140 N GLU A 10 8.219 -1.319 -12.199 1.00 61.12 N ATOM 141 CA GLU A 10 9.147 -0.252 -12.555 1.00 10.15 C ATOM 142 C GLU A 10 10.054 -0.680 -13.705 1.00 20.14 C ATOM 143 O GLU A 10 10.600 0.158 -14.422 1.00 22.51 O ATOM 144 CB GLU A 10 9.994 0.143 -11.343 1.00 35.35 C ATOM 145 CG GLU A 10 9.393 1.272 -10.523 1.00 3.43 C ATOM 146 CD GLU A 10 10.187 2.559 -10.634 1.00 4.55 C ATOM 147 OE1 GLU A 10 10.801 2.789 -11.696 1.00 63.13 O ATOM 148 OE2 GLU A 10 10.194 3.338 -9.657 1.00 24.55 O ATOM 0 H GLU A 10 8.371 -1.719 -11.273 1.00 61.12 H new ATOM 0 HA GLU A 10 8.563 0.610 -12.878 1.00 10.15 H new ATOM 0 HB2 GLU A 10 10.126 -0.729 -10.703 1.00 35.35 H new ATOM 0 HB3 GLU A 10 10.985 0.441 -11.685 1.00 35.35 H new ATOM 0 HG2 GLU A 10 8.370 1.451 -10.853 1.00 3.43 H new ATOM 0 HG3 GLU A 10 9.342 0.970 -9.477 1.00 3.43 H new ATOM 155 N GLN A 11 10.209 -1.989 -13.872 1.00 61.41 N ATOM 156 CA GLN A 11 11.051 -2.529 -14.934 1.00 13.23 C ATOM 157 C GLN A 11 10.262 -2.680 -16.230 1.00 34.41 C ATOM 158 O GLN A 11 10.806 -3.089 -17.256 1.00 60.44 O ATOM 159 CB GLN A 11 11.632 -3.881 -14.515 1.00 52.45 C ATOM 160 CG GLN A 11 12.258 -3.871 -13.130 1.00 61.33 C ATOM 161 CD GLN A 11 13.654 -4.462 -13.117 1.00 61.21 C ATOM 162 OE1 GLN A 11 13.980 -5.333 -13.924 1.00 73.32 O ATOM 163 NE2 GLN A 11 14.488 -3.990 -12.198 1.00 23.41 N ATOM 0 H GLN A 11 9.763 -2.695 -13.286 1.00 61.41 H new ATOM 0 HA GLN A 11 11.868 -1.829 -15.108 1.00 13.23 H new ATOM 0 HB2 GLN A 11 10.841 -4.631 -14.542 1.00 52.45 H new ATOM 0 HB3 GLN A 11 12.385 -4.185 -15.243 1.00 52.45 H new ATOM 0 HG2 GLN A 11 12.298 -2.846 -12.761 1.00 61.33 H new ATOM 0 HG3 GLN A 11 11.623 -4.432 -12.444 1.00 61.33 H new ATOM 0 HE21 GLN A 11 14.176 -3.268 -11.549 1.00 23.41 H new ATOM 0 HE22 GLN A 11 15.441 -4.350 -12.141 1.00 23.41 H new ATOM 172 N LEU A 12 8.976 -2.349 -16.176 1.00 44.34 N ATOM 173 CA LEU A 12 8.111 -2.448 -17.347 1.00 22.12 C ATOM 174 C LEU A 12 8.498 -1.414 -18.399 1.00 52.21 C ATOM 175 O LEU A 12 9.423 -0.625 -18.201 1.00 32.23 O ATOM 176 CB LEU A 12 6.648 -2.258 -16.942 1.00 24.12 C ATOM 177 CG LEU A 12 6.036 -3.374 -16.095 1.00 20.31 C ATOM 178 CD1 LEU A 12 4.655 -2.973 -15.600 1.00 41.33 C ATOM 179 CD2 LEU A 12 5.964 -4.669 -16.891 1.00 33.21 C ATOM 0 H LEU A 12 8.510 -2.010 -15.335 1.00 44.34 H new ATOM 0 HA LEU A 12 8.236 -3.441 -17.778 1.00 22.12 H new ATOM 0 HB2 LEU A 12 6.563 -1.322 -16.390 1.00 24.12 H new ATOM 0 HB3 LEU A 12 6.052 -2.149 -17.848 1.00 24.12 H new ATOM 0 HG LEU A 12 6.676 -3.539 -15.228 1.00 20.31 H new ATOM 0 HD11 LEU A 12 4.235 -3.780 -14.999 1.00 41.33 H new ATOM 0 HD12 LEU A 12 4.734 -2.071 -14.993 1.00 41.33 H new ATOM 0 HD13 LEU A 12 4.005 -2.780 -16.453 1.00 41.33 H new ATOM 0 HD21 LEU A 12 5.526 -5.452 -16.273 1.00 33.21 H new ATOM 0 HD22 LEU A 12 5.347 -4.518 -17.777 1.00 33.21 H new ATOM 0 HD23 LEU A 12 6.968 -4.966 -17.195 1.00 33.21 H new ATOM 191 N THR A 13 7.782 -1.421 -19.519 1.00 40.35 N ATOM 192 CA THR A 13 8.049 -0.483 -20.603 1.00 20.12 C ATOM 193 C THR A 13 6.911 0.520 -20.755 1.00 61.31 C ATOM 194 O THR A 13 5.784 0.261 -20.335 1.00 71.20 O ATOM 195 CB THR A 13 8.255 -1.216 -21.942 1.00 11.10 C ATOM 196 OG1 THR A 13 8.116 -0.296 -23.030 1.00 42.23 O ATOM 197 CG2 THR A 13 7.252 -2.349 -22.098 1.00 63.25 C ATOM 0 H THR A 13 7.013 -2.066 -19.699 1.00 40.35 H new ATOM 0 HA THR A 13 8.965 0.048 -20.343 1.00 20.12 H new ATOM 0 HB THR A 13 9.260 -1.638 -21.950 1.00 11.10 H new ATOM 0 HG1 THR A 13 8.250 -0.769 -23.878 1.00 42.23 H new ATOM 0 HG21 THR A 13 7.417 -2.852 -23.051 1.00 63.25 H new ATOM 0 HG22 THR A 13 7.380 -3.063 -21.284 1.00 63.25 H new ATOM 0 HG23 THR A 13 6.240 -1.945 -22.071 1.00 63.25 H new ATOM 205 N GLU A 14 7.214 1.665 -21.359 1.00 21.41 N ATOM 206 CA GLU A 14 6.215 2.706 -21.566 1.00 52.10 C ATOM 207 C GLU A 14 5.039 2.178 -22.383 1.00 64.52 C ATOM 208 O GLU A 14 3.886 2.519 -22.123 1.00 23.03 O ATOM 209 CB GLU A 14 6.840 3.911 -22.272 1.00 62.10 C ATOM 210 CG GLU A 14 8.115 4.409 -21.612 1.00 62.43 C ATOM 211 CD GLU A 14 7.994 4.502 -20.104 1.00 35.53 C ATOM 212 OE1 GLU A 14 7.096 5.224 -19.624 1.00 15.14 O ATOM 213 OE2 GLU A 14 8.797 3.851 -19.403 1.00 60.41 O ATOM 0 H GLU A 14 8.143 1.895 -21.713 1.00 21.41 H new ATOM 0 HA GLU A 14 5.845 3.018 -20.589 1.00 52.10 H new ATOM 0 HB2 GLU A 14 7.057 3.643 -23.306 1.00 62.10 H new ATOM 0 HB3 GLU A 14 6.113 4.723 -22.298 1.00 62.10 H new ATOM 0 HG2 GLU A 14 8.937 3.739 -21.866 1.00 62.43 H new ATOM 0 HG3 GLU A 14 8.368 5.390 -22.014 1.00 62.43 H new ATOM 220 N GLU A 15 5.342 1.343 -23.373 1.00 31.02 N ATOM 221 CA GLU A 15 4.311 0.769 -24.229 1.00 33.30 C ATOM 222 C GLU A 15 3.391 -0.151 -23.431 1.00 12.22 C ATOM 223 O GLU A 15 2.212 -0.298 -23.754 1.00 24.12 O ATOM 224 CB GLU A 15 4.949 -0.007 -25.383 1.00 73.13 C ATOM 225 CG GLU A 15 5.525 -1.351 -24.969 1.00 12.43 C ATOM 226 CD GLU A 15 4.572 -2.500 -25.232 1.00 73.31 C ATOM 227 OE1 GLU A 15 4.082 -2.614 -26.375 1.00 53.23 O ATOM 228 OE2 GLU A 15 4.316 -3.286 -24.296 1.00 12.11 O ATOM 0 H GLU A 15 6.292 1.050 -23.601 1.00 31.02 H new ATOM 0 HA GLU A 15 3.716 1.587 -24.635 1.00 33.30 H new ATOM 0 HB2 GLU A 15 4.201 -0.166 -26.160 1.00 73.13 H new ATOM 0 HB3 GLU A 15 5.742 0.599 -25.822 1.00 73.13 H new ATOM 0 HG2 GLU A 15 6.456 -1.525 -25.509 1.00 12.43 H new ATOM 0 HG3 GLU A 15 5.772 -1.325 -23.908 1.00 12.43 H new ATOM 235 N GLN A 16 3.939 -0.767 -22.388 1.00 51.53 N ATOM 236 CA GLN A 16 3.168 -1.672 -21.545 1.00 21.51 C ATOM 237 C GLN A 16 2.140 -0.906 -20.720 1.00 13.20 C ATOM 238 O GLN A 16 0.952 -1.231 -20.731 1.00 2.35 O ATOM 239 CB GLN A 16 4.099 -2.458 -20.619 1.00 41.43 C ATOM 240 CG GLN A 16 4.512 -3.810 -21.177 1.00 31.45 C ATOM 241 CD GLN A 16 3.334 -4.744 -21.375 1.00 10.13 C ATOM 242 OE1 GLN A 16 2.682 -4.726 -22.419 1.00 70.41 O ATOM 243 NE2 GLN A 16 3.055 -5.567 -20.370 1.00 53.54 N ATOM 0 H GLN A 16 4.913 -0.656 -22.107 1.00 51.53 H new ATOM 0 HA GLN A 16 2.639 -2.369 -22.194 1.00 21.51 H new ATOM 0 HB2 GLN A 16 4.993 -1.865 -20.428 1.00 41.43 H new ATOM 0 HB3 GLN A 16 3.603 -2.606 -19.660 1.00 41.43 H new ATOM 0 HG2 GLN A 16 5.020 -3.665 -22.130 1.00 31.45 H new ATOM 0 HG3 GLN A 16 5.229 -4.274 -20.500 1.00 31.45 H new ATOM 0 HE21 GLN A 16 3.622 -5.548 -19.523 1.00 53.54 H new ATOM 0 HE22 GLN A 16 2.273 -6.218 -20.446 1.00 53.54 H new ATOM 252 N LYS A 17 2.603 0.114 -20.005 1.00 23.30 N ATOM 253 CA LYS A 17 1.725 0.928 -19.174 1.00 54.43 C ATOM 254 C LYS A 17 0.635 1.585 -20.016 1.00 33.33 C ATOM 255 O LYS A 17 -0.430 1.932 -19.507 1.00 51.31 O ATOM 256 CB LYS A 17 2.533 2.001 -18.441 1.00 13.15 C ATOM 257 CG LYS A 17 3.029 1.561 -17.074 1.00 73.32 C ATOM 258 CD LYS A 17 4.194 0.592 -17.189 1.00 53.05 C ATOM 259 CE LYS A 17 5.470 1.303 -17.612 1.00 41.21 C ATOM 260 NZ LYS A 17 5.921 2.288 -16.590 1.00 20.42 N ATOM 0 H LYS A 17 3.583 0.396 -19.985 1.00 23.30 H new ATOM 0 HA LYS A 17 1.251 0.275 -18.441 1.00 54.43 H new ATOM 0 HB2 LYS A 17 3.388 2.283 -19.055 1.00 13.15 H new ATOM 0 HB3 LYS A 17 1.916 2.892 -18.325 1.00 13.15 H new ATOM 0 HG2 LYS A 17 3.336 2.434 -16.499 1.00 73.32 H new ATOM 0 HG3 LYS A 17 2.214 1.089 -16.525 1.00 73.32 H new ATOM 0 HD2 LYS A 17 4.353 0.097 -16.231 1.00 53.05 H new ATOM 0 HD3 LYS A 17 3.952 -0.185 -17.914 1.00 53.05 H new ATOM 0 HE2 LYS A 17 6.257 0.568 -17.780 1.00 41.21 H new ATOM 0 HE3 LYS A 17 5.304 1.814 -18.560 1.00 41.21 H new ATOM 0 HZ1 LYS A 17 6.929 2.499 -16.732 1.00 20.42 H new ATOM 0 HZ2 LYS A 17 5.368 3.164 -16.684 1.00 20.42 H new ATOM 0 HZ3 LYS A 17 5.781 1.890 -15.639 1.00 20.42 H new ATOM 274 N ASN A 18 0.908 1.750 -21.306 1.00 22.31 N ATOM 275 CA ASN A 18 -0.050 2.363 -22.218 1.00 11.50 C ATOM 276 C ASN A 18 -1.307 1.508 -22.342 1.00 53.14 C ATOM 277 O ASN A 18 -2.424 2.025 -22.340 1.00 42.34 O ATOM 278 CB ASN A 18 0.583 2.564 -23.597 1.00 34.34 C ATOM 279 CG ASN A 18 0.934 4.014 -23.866 1.00 54.24 C ATOM 280 OD1 ASN A 18 1.083 4.811 -22.940 1.00 24.11 O ATOM 281 ND2 ASN A 18 1.066 4.363 -25.141 1.00 1.42 N ATOM 0 H ASN A 18 1.785 1.468 -21.743 1.00 22.31 H new ATOM 0 HA ASN A 18 -0.332 3.334 -21.810 1.00 11.50 H new ATOM 0 HB2 ASN A 18 1.484 1.955 -23.673 1.00 34.34 H new ATOM 0 HB3 ASN A 18 -0.106 2.211 -24.365 1.00 34.34 H new ATOM 0 HD21 ASN A 18 1.300 5.325 -25.385 1.00 1.42 H new ATOM 0 HD22 ASN A 18 0.933 3.669 -25.876 1.00 1.42 H new ATOM 288 N GLU A 19 -1.116 0.197 -22.450 1.00 32.10 N ATOM 289 CA GLU A 19 -2.235 -0.730 -22.576 1.00 12.44 C ATOM 290 C GLU A 19 -3.043 -0.786 -21.282 1.00 41.31 C ATOM 291 O GLU A 19 -4.270 -0.885 -21.307 1.00 41.21 O ATOM 292 CB GLU A 19 -1.730 -2.128 -22.935 1.00 60.43 C ATOM 293 CG GLU A 19 -1.343 -2.278 -24.397 1.00 22.41 C ATOM 294 CD GLU A 19 -2.537 -2.545 -25.292 1.00 71.44 C ATOM 295 OE1 GLU A 19 -2.988 -3.708 -25.350 1.00 70.30 O ATOM 296 OE2 GLU A 19 -3.021 -1.590 -25.935 1.00 62.24 O ATOM 0 H GLU A 19 -0.198 -0.247 -22.453 1.00 32.10 H new ATOM 0 HA GLU A 19 -2.884 -0.370 -23.374 1.00 12.44 H new ATOM 0 HB2 GLU A 19 -0.867 -2.364 -22.313 1.00 60.43 H new ATOM 0 HB3 GLU A 19 -2.504 -2.857 -22.696 1.00 60.43 H new ATOM 0 HG2 GLU A 19 -0.839 -1.371 -24.731 1.00 22.41 H new ATOM 0 HG3 GLU A 19 -0.628 -3.095 -24.498 1.00 22.41 H new ATOM 303 N PHE A 20 -2.345 -0.722 -20.153 1.00 35.23 N ATOM 304 CA PHE A 20 -2.997 -0.767 -18.849 1.00 25.14 C ATOM 305 C PHE A 20 -3.867 0.468 -18.632 1.00 62.54 C ATOM 306 O PHE A 20 -5.021 0.363 -18.217 1.00 1.15 O ATOM 307 CB PHE A 20 -1.951 -0.869 -17.736 1.00 61.02 C ATOM 308 CG PHE A 20 -1.032 -2.048 -17.883 1.00 74.41 C ATOM 309 CD1 PHE A 20 -1.490 -3.235 -18.433 1.00 43.04 C ATOM 310 CD2 PHE A 20 0.288 -1.970 -17.472 1.00 22.35 C ATOM 311 CE1 PHE A 20 -0.647 -4.322 -18.569 1.00 1.11 C ATOM 312 CE2 PHE A 20 1.136 -3.054 -17.605 1.00 10.11 C ATOM 313 CZ PHE A 20 0.668 -4.231 -18.155 1.00 51.13 C ATOM 0 H PHE A 20 -1.329 -0.639 -20.114 1.00 35.23 H new ATOM 0 HA PHE A 20 -3.636 -1.649 -18.821 1.00 25.14 H new ATOM 0 HB2 PHE A 20 -1.357 0.045 -17.722 1.00 61.02 H new ATOM 0 HB3 PHE A 20 -2.460 -0.933 -16.774 1.00 61.02 H new ATOM 0 HD1 PHE A 20 -2.517 -3.311 -18.759 1.00 43.04 H new ATOM 0 HD2 PHE A 20 0.660 -1.051 -17.042 1.00 22.35 H new ATOM 0 HE1 PHE A 20 -1.016 -5.242 -18.999 1.00 1.11 H new ATOM 0 HE2 PHE A 20 2.163 -2.980 -17.279 1.00 10.11 H new ATOM 0 HZ PHE A 20 1.329 -5.079 -18.261 1.00 51.13 H new ATOM 323 N LYS A 21 -3.305 1.637 -18.917 1.00 43.32 N ATOM 324 CA LYS A 21 -4.027 2.893 -18.755 1.00 52.44 C ATOM 325 C LYS A 21 -5.206 2.971 -19.721 1.00 2.54 C ATOM 326 O LYS A 21 -6.197 3.648 -19.451 1.00 13.53 O ATOM 327 CB LYS A 21 -3.087 4.079 -18.984 1.00 54.34 C ATOM 328 CG LYS A 21 -3.568 5.369 -18.343 1.00 12.24 C ATOM 329 CD LYS A 21 -2.425 6.348 -18.134 1.00 10.21 C ATOM 330 CE LYS A 21 -2.190 7.202 -19.370 1.00 50.52 C ATOM 331 NZ LYS A 21 -0.862 7.875 -19.335 1.00 41.24 N ATOM 0 H LYS A 21 -2.351 1.741 -19.262 1.00 43.32 H new ATOM 0 HA LYS A 21 -4.411 2.934 -17.736 1.00 52.44 H new ATOM 0 HB2 LYS A 21 -2.102 3.832 -18.589 1.00 54.34 H new ATOM 0 HB3 LYS A 21 -2.970 4.237 -20.056 1.00 54.34 H new ATOM 0 HG2 LYS A 21 -4.330 5.827 -18.973 1.00 12.24 H new ATOM 0 HG3 LYS A 21 -4.038 5.147 -17.385 1.00 12.24 H new ATOM 0 HD2 LYS A 21 -2.647 6.991 -17.283 1.00 10.21 H new ATOM 0 HD3 LYS A 21 -1.515 5.800 -17.891 1.00 10.21 H new ATOM 0 HE2 LYS A 21 -2.257 6.578 -20.261 1.00 50.52 H new ATOM 0 HE3 LYS A 21 -2.976 7.953 -19.447 1.00 50.52 H new ATOM 0 HZ1 LYS A 21 -0.740 8.447 -20.195 1.00 41.24 H new ATOM 0 HZ2 LYS A 21 -0.807 8.491 -18.499 1.00 41.24 H new ATOM 0 HZ3 LYS A 21 -0.110 7.158 -19.287 1.00 41.24 H new ATOM 345 N ALA A 22 -5.091 2.273 -20.845 1.00 42.14 N ATOM 346 CA ALA A 22 -6.148 2.261 -21.849 1.00 13.05 C ATOM 347 C ALA A 22 -7.254 1.281 -21.469 1.00 44.41 C ATOM 348 O ALA A 22 -8.416 1.663 -21.339 1.00 13.01 O ATOM 349 CB ALA A 22 -5.576 1.911 -23.214 1.00 52.13 C ATOM 0 H ALA A 22 -4.276 1.708 -21.084 1.00 42.14 H new ATOM 0 HA ALA A 22 -6.583 3.259 -21.895 1.00 13.05 H new ATOM 0 HB1 ALA A 22 -6.377 1.906 -23.954 1.00 52.13 H new ATOM 0 HB2 ALA A 22 -4.827 2.651 -23.495 1.00 52.13 H new ATOM 0 HB3 ALA A 22 -5.114 0.925 -23.173 1.00 52.13 H new ATOM 355 N ALA A 23 -6.883 0.017 -21.294 1.00 10.22 N ATOM 356 CA ALA A 23 -7.843 -1.017 -20.928 1.00 53.40 C ATOM 357 C ALA A 23 -8.509 -0.700 -19.593 1.00 51.12 C ATOM 358 O ALA A 23 -9.579 -1.224 -19.282 1.00 25.44 O ATOM 359 CB ALA A 23 -7.160 -2.375 -20.870 1.00 51.22 C ATOM 0 H ALA A 23 -5.925 -0.316 -21.400 1.00 10.22 H new ATOM 0 HA ALA A 23 -8.618 -1.045 -21.693 1.00 53.40 H new ATOM 0 HB1 ALA A 23 -7.889 -3.137 -20.596 1.00 51.22 H new ATOM 0 HB2 ALA A 23 -6.737 -2.612 -21.846 1.00 51.22 H new ATOM 0 HB3 ALA A 23 -6.363 -2.350 -20.126 1.00 51.22 H new ATOM 365 N PHE A 24 -7.870 0.160 -18.808 1.00 3.53 N ATOM 366 CA PHE A 24 -8.400 0.546 -17.505 1.00 25.41 C ATOM 367 C PHE A 24 -9.600 1.474 -17.659 1.00 14.30 C ATOM 368 O PHE A 24 -10.527 1.449 -16.848 1.00 64.43 O ATOM 369 CB PHE A 24 -7.314 1.231 -16.672 1.00 34.34 C ATOM 370 CG PHE A 24 -7.807 1.738 -15.346 1.00 61.14 C ATOM 371 CD1 PHE A 24 -7.791 0.921 -14.228 1.00 23.05 C ATOM 372 CD2 PHE A 24 -8.287 3.032 -15.220 1.00 23.31 C ATOM 373 CE1 PHE A 24 -8.243 1.385 -13.006 1.00 61.34 C ATOM 374 CE2 PHE A 24 -8.740 3.501 -14.001 1.00 63.04 C ATOM 375 CZ PHE A 24 -8.719 2.676 -12.894 1.00 0.23 C ATOM 0 H PHE A 24 -6.984 0.603 -19.051 1.00 3.53 H new ATOM 0 HA PHE A 24 -8.727 -0.358 -16.991 1.00 25.41 H new ATOM 0 HB2 PHE A 24 -6.499 0.527 -16.503 1.00 34.34 H new ATOM 0 HB3 PHE A 24 -6.903 2.065 -17.241 1.00 34.34 H new ATOM 0 HD1 PHE A 24 -7.421 -0.090 -14.311 1.00 23.05 H new ATOM 0 HD2 PHE A 24 -8.307 3.681 -16.083 1.00 23.31 H new ATOM 0 HE1 PHE A 24 -8.224 0.739 -12.141 1.00 61.34 H new ATOM 0 HE2 PHE A 24 -9.110 4.512 -13.915 1.00 63.04 H new ATOM 0 HZ PHE A 24 -9.075 3.040 -11.942 1.00 0.23 H new ATOM 385 N ASP A 25 -9.577 2.294 -18.704 1.00 64.54 N ATOM 386 CA ASP A 25 -10.663 3.231 -18.966 1.00 61.54 C ATOM 387 C ASP A 25 -11.947 2.488 -19.322 1.00 33.04 C ATOM 388 O ASP A 25 -13.042 2.903 -18.939 1.00 24.01 O ATOM 389 CB ASP A 25 -10.280 4.184 -20.099 1.00 53.05 C ATOM 390 CG ASP A 25 -11.232 5.358 -20.214 1.00 53.32 C ATOM 391 OD1 ASP A 25 -12.352 5.166 -20.733 1.00 14.15 O ATOM 392 OD2 ASP A 25 -10.858 6.469 -19.785 1.00 3.31 O ATOM 0 H ASP A 25 -8.817 2.329 -19.384 1.00 64.54 H new ATOM 0 HA ASP A 25 -10.838 3.809 -18.059 1.00 61.54 H new ATOM 0 HB2 ASP A 25 -9.269 4.555 -19.932 1.00 53.05 H new ATOM 0 HB3 ASP A 25 -10.267 3.637 -21.042 1.00 53.05 H new ATOM 397 N ILE A 26 -11.806 1.390 -20.056 1.00 21.31 N ATOM 398 CA ILE A 26 -12.955 0.590 -20.462 1.00 63.04 C ATOM 399 C ILE A 26 -13.551 -0.159 -19.276 1.00 25.45 C ATOM 400 O ILE A 26 -14.743 -0.463 -19.255 1.00 34.41 O ATOM 401 CB ILE A 26 -12.575 -0.424 -21.558 1.00 34.34 C ATOM 402 CG1 ILE A 26 -12.046 0.303 -22.796 1.00 35.15 C ATOM 403 CG2 ILE A 26 -13.774 -1.289 -21.917 1.00 34.24 C ATOM 404 CD1 ILE A 26 -10.536 0.333 -22.880 1.00 34.34 C ATOM 0 H ILE A 26 -10.908 1.034 -20.382 1.00 21.31 H new ATOM 0 HA ILE A 26 -13.697 1.282 -20.860 1.00 63.04 H new ATOM 0 HB ILE A 26 -11.786 -1.071 -21.176 1.00 34.34 H new ATOM 0 HG12 ILE A 26 -12.442 -0.181 -23.689 1.00 35.15 H new ATOM 0 HG13 ILE A 26 -12.422 1.326 -22.795 1.00 35.15 H new ATOM 0 HG21 ILE A 26 -13.490 -2.000 -22.693 1.00 34.24 H new ATOM 0 HG22 ILE A 26 -14.110 -1.831 -21.033 1.00 34.24 H new ATOM 0 HG23 ILE A 26 -14.582 -0.656 -22.283 1.00 34.24 H new ATOM 0 HD11 ILE A 26 -10.232 0.864 -23.782 1.00 34.34 H new ATOM 0 HD12 ILE A 26 -10.133 0.844 -22.005 1.00 34.34 H new ATOM 0 HD13 ILE A 26 -10.153 -0.687 -22.913 1.00 34.34 H new ATOM 416 N PHE A 27 -12.712 -0.453 -18.287 1.00 73.21 N ATOM 417 CA PHE A 27 -13.156 -1.166 -17.095 1.00 20.31 C ATOM 418 C PHE A 27 -13.922 -0.236 -16.158 1.00 63.43 C ATOM 419 O PHE A 27 -14.872 -0.650 -15.494 1.00 72.45 O ATOM 420 CB PHE A 27 -11.958 -1.773 -16.362 1.00 44.11 C ATOM 421 CG PHE A 27 -11.538 -3.110 -16.903 1.00 13.01 C ATOM 422 CD1 PHE A 27 -11.338 -3.291 -18.262 1.00 0.41 C ATOM 423 CD2 PHE A 27 -11.345 -4.186 -16.052 1.00 71.41 C ATOM 424 CE1 PHE A 27 -10.952 -4.520 -18.763 1.00 2.42 C ATOM 425 CE2 PHE A 27 -10.959 -5.418 -16.547 1.00 44.51 C ATOM 426 CZ PHE A 27 -10.763 -5.585 -17.904 1.00 41.32 C ATOM 0 H PHE A 27 -11.722 -0.208 -18.288 1.00 73.21 H new ATOM 0 HA PHE A 27 -13.825 -1.967 -17.410 1.00 20.31 H new ATOM 0 HB2 PHE A 27 -11.116 -1.084 -16.426 1.00 44.11 H new ATOM 0 HB3 PHE A 27 -12.204 -1.879 -15.305 1.00 44.11 H new ATOM 0 HD1 PHE A 27 -11.485 -2.462 -18.938 1.00 0.41 H new ATOM 0 HD2 PHE A 27 -11.498 -4.061 -14.990 1.00 71.41 H new ATOM 0 HE1 PHE A 27 -10.798 -4.647 -19.824 1.00 2.42 H new ATOM 0 HE2 PHE A 27 -10.811 -6.249 -15.873 1.00 44.51 H new ATOM 0 HZ PHE A 27 -10.462 -6.547 -18.293 1.00 41.32 H new ATOM 436 N VAL A 28 -13.500 1.023 -16.110 1.00 0.32 N ATOM 437 CA VAL A 28 -14.145 2.013 -15.256 1.00 12.24 C ATOM 438 C VAL A 28 -15.357 2.629 -15.946 1.00 60.32 C ATOM 439 O VAL A 28 -15.988 3.545 -15.418 1.00 5.43 O ATOM 440 CB VAL A 28 -13.168 3.136 -14.861 1.00 2.23 C ATOM 441 CG1 VAL A 28 -11.930 2.557 -14.193 1.00 30.30 C ATOM 442 CG2 VAL A 28 -12.788 3.964 -16.079 1.00 11.30 C ATOM 0 H VAL A 28 -12.714 1.382 -16.652 1.00 0.32 H new ATOM 0 HA VAL A 28 -14.469 1.490 -14.356 1.00 12.24 H new ATOM 0 HB VAL A 28 -13.665 3.791 -14.145 1.00 2.23 H new ATOM 0 HG11 VAL A 28 -11.251 3.366 -13.921 1.00 30.30 H new ATOM 0 HG12 VAL A 28 -12.222 2.011 -13.296 1.00 30.30 H new ATOM 0 HG13 VAL A 28 -11.428 1.879 -14.883 1.00 30.30 H new ATOM 0 HG21 VAL A 28 -12.097 4.753 -15.782 1.00 11.30 H new ATOM 0 HG22 VAL A 28 -12.310 3.323 -16.820 1.00 11.30 H new ATOM 0 HG23 VAL A 28 -13.684 4.410 -16.510 1.00 11.30 H new ATOM 452 N LEU A 29 -15.678 2.119 -17.130 1.00 74.00 N ATOM 453 CA LEU A 29 -16.816 2.618 -17.895 1.00 13.05 C ATOM 454 C LEU A 29 -18.120 2.408 -17.131 1.00 22.23 C ATOM 455 O LEU A 29 -19.103 3.112 -17.355 1.00 10.42 O ATOM 456 CB LEU A 29 -16.889 1.919 -19.253 1.00 34.30 C ATOM 457 CG LEU A 29 -16.042 2.530 -20.369 1.00 51.22 C ATOM 458 CD1 LEU A 29 -16.146 1.696 -21.637 1.00 15.24 C ATOM 459 CD2 LEU A 29 -16.469 3.966 -20.637 1.00 3.21 C ATOM 0 H LEU A 29 -15.167 1.360 -17.581 1.00 74.00 H new ATOM 0 HA LEU A 29 -16.676 3.688 -18.051 1.00 13.05 H new ATOM 0 HB2 LEU A 29 -16.586 0.880 -19.121 1.00 34.30 H new ATOM 0 HB3 LEU A 29 -17.929 1.908 -19.578 1.00 34.30 H new ATOM 0 HG LEU A 29 -15.001 2.535 -20.047 1.00 51.22 H new ATOM 0 HD11 LEU A 29 -15.536 2.147 -22.420 1.00 15.24 H new ATOM 0 HD12 LEU A 29 -15.791 0.685 -21.438 1.00 15.24 H new ATOM 0 HD13 LEU A 29 -17.185 1.658 -21.963 1.00 15.24 H new ATOM 0 HD21 LEU A 29 -15.855 4.385 -21.434 1.00 3.21 H new ATOM 0 HD22 LEU A 29 -17.517 3.984 -20.938 1.00 3.21 H new ATOM 0 HD23 LEU A 29 -16.341 4.559 -19.731 1.00 3.21 H new ATOM 471 N GLY A 30 -18.119 1.434 -16.225 1.00 41.13 N ATOM 472 CA GLY A 30 -19.306 1.150 -15.440 1.00 71.14 C ATOM 473 C GLY A 30 -19.472 2.104 -14.274 1.00 53.14 C ATOM 474 O GLY A 30 -20.593 2.442 -13.895 1.00 72.02 O ATOM 0 H GLY A 30 -17.317 0.837 -16.021 1.00 41.13 H new ATOM 0 HA2 GLY A 30 -20.185 1.209 -16.082 1.00 71.14 H new ATOM 0 HA3 GLY A 30 -19.254 0.128 -15.065 1.00 71.14 H new ATOM 478 N ALA A 31 -18.354 2.538 -13.703 1.00 42.41 N ATOM 479 CA ALA A 31 -18.381 3.459 -12.574 1.00 4.44 C ATOM 480 C ALA A 31 -18.740 4.871 -13.025 1.00 32.04 C ATOM 481 O ALA A 31 -18.832 5.145 -14.221 1.00 14.14 O ATOM 482 CB ALA A 31 -17.037 3.458 -11.859 1.00 73.41 C ATOM 0 H ALA A 31 -17.418 2.267 -14.004 1.00 42.41 H new ATOM 0 HA ALA A 31 -19.150 3.120 -11.880 1.00 4.44 H new ATOM 0 HB1 ALA A 31 -17.072 4.150 -11.018 1.00 73.41 H new ATOM 0 HB2 ALA A 31 -16.820 2.454 -11.494 1.00 73.41 H new ATOM 0 HB3 ALA A 31 -16.256 3.769 -12.553 1.00 73.41 H new ATOM 488 N GLU A 32 -18.943 5.762 -12.059 1.00 43.33 N ATOM 489 CA GLU A 32 -19.294 7.145 -12.359 1.00 1.40 C ATOM 490 C GLU A 32 -18.117 8.077 -12.085 1.00 1.21 C ATOM 491 O GLU A 32 -18.022 9.161 -12.661 1.00 52.11 O ATOM 492 CB GLU A 32 -20.505 7.578 -11.530 1.00 50.52 C ATOM 493 CG GLU A 32 -21.272 8.742 -12.136 1.00 32.15 C ATOM 494 CD GLU A 32 -22.597 8.992 -11.441 1.00 22.20 C ATOM 495 OE1 GLU A 32 -22.587 9.235 -10.216 1.00 20.00 O ATOM 496 OE2 GLU A 32 -23.643 8.944 -12.122 1.00 24.15 O ATOM 0 H GLU A 32 -18.870 5.551 -11.064 1.00 43.33 H new ATOM 0 HA GLU A 32 -19.546 7.208 -13.418 1.00 1.40 H new ATOM 0 HB2 GLU A 32 -21.179 6.729 -11.416 1.00 50.52 H new ATOM 0 HB3 GLU A 32 -20.170 7.855 -10.530 1.00 50.52 H new ATOM 0 HG2 GLU A 32 -20.661 9.643 -12.081 1.00 32.15 H new ATOM 0 HG3 GLU A 32 -21.452 8.543 -13.193 1.00 32.15 H new ATOM 503 N ASP A 33 -17.223 7.647 -11.201 1.00 40.24 N ATOM 504 CA ASP A 33 -16.052 8.442 -10.850 1.00 65.44 C ATOM 505 C ASP A 33 -14.825 7.974 -11.628 1.00 11.21 C ATOM 506 O ASP A 33 -13.954 8.772 -11.972 1.00 12.24 O ATOM 507 CB ASP A 33 -15.782 8.355 -9.347 1.00 65.44 C ATOM 508 CG ASP A 33 -14.956 9.520 -8.839 1.00 40.21 C ATOM 509 OD1 ASP A 33 -15.529 10.613 -8.646 1.00 64.24 O ATOM 510 OD2 ASP A 33 -13.737 9.340 -8.635 1.00 30.12 O ATOM 0 H ASP A 33 -17.287 6.753 -10.715 1.00 40.24 H new ATOM 0 HA ASP A 33 -16.255 9.480 -11.115 1.00 65.44 H new ATOM 0 HB2 ASP A 33 -16.731 8.325 -8.811 1.00 65.44 H new ATOM 0 HB3 ASP A 33 -15.263 7.422 -9.127 1.00 65.44 H new ATOM 515 N GLY A 34 -14.764 6.674 -11.901 1.00 44.42 N ATOM 516 CA GLY A 34 -13.640 6.123 -12.635 1.00 25.11 C ATOM 517 C GLY A 34 -12.895 5.065 -11.846 1.00 30.55 C ATOM 518 O GLY A 34 -11.682 5.160 -11.656 1.00 42.54 O ATOM 0 H GLY A 34 -15.472 5.993 -11.627 1.00 44.42 H new ATOM 0 HA2 GLY A 34 -13.997 5.691 -13.570 1.00 25.11 H new ATOM 0 HA3 GLY A 34 -12.953 6.927 -12.898 1.00 25.11 H new ATOM 522 N CYS A 35 -13.622 4.054 -11.382 1.00 61.25 N ATOM 523 CA CYS A 35 -13.023 2.974 -10.606 1.00 61.34 C ATOM 524 C CYS A 35 -13.701 1.643 -10.914 1.00 23.50 C ATOM 525 O CYS A 35 -14.684 1.592 -11.654 1.00 23.30 O ATOM 526 CB CYS A 35 -13.122 3.277 -9.111 1.00 32.24 C ATOM 527 SG CYS A 35 -14.817 3.413 -8.496 1.00 31.31 S ATOM 0 H CYS A 35 -14.627 3.960 -11.530 1.00 61.25 H new ATOM 0 HA CYS A 35 -11.972 2.899 -10.885 1.00 61.34 H new ATOM 0 HB2 CYS A 35 -12.608 2.491 -8.557 1.00 32.24 H new ATOM 0 HB3 CYS A 35 -12.596 4.209 -8.904 1.00 32.24 H new ATOM 0 HG CYS A 35 -15.628 2.827 -9.326 1.00 31.31 H new ATOM 533 N ILE A 36 -13.168 0.568 -10.343 1.00 32.52 N ATOM 534 CA ILE A 36 -13.722 -0.764 -10.557 1.00 4.24 C ATOM 535 C ILE A 36 -13.985 -1.469 -9.230 1.00 54.05 C ATOM 536 O ILE A 36 -13.054 -1.834 -8.514 1.00 3.14 O ATOM 537 CB ILE A 36 -12.780 -1.634 -11.410 1.00 33.53 C ATOM 538 CG1 ILE A 36 -12.531 -0.975 -12.768 1.00 33.12 C ATOM 539 CG2 ILE A 36 -13.366 -3.027 -11.590 1.00 65.13 C ATOM 540 CD1 ILE A 36 -11.072 -0.938 -13.163 1.00 63.20 C ATOM 0 H ILE A 36 -12.354 0.593 -9.729 1.00 32.52 H new ATOM 0 HA ILE A 36 -14.664 -0.633 -11.089 1.00 4.24 H new ATOM 0 HB ILE A 36 -11.825 -1.726 -10.892 1.00 33.53 H new ATOM 0 HG12 ILE A 36 -13.092 -1.513 -13.532 1.00 33.12 H new ATOM 0 HG13 ILE A 36 -12.919 0.043 -12.745 1.00 33.12 H new ATOM 0 HG21 ILE A 36 -12.690 -3.631 -12.195 1.00 65.13 H new ATOM 0 HG22 ILE A 36 -13.497 -3.496 -10.615 1.00 65.13 H new ATOM 0 HG23 ILE A 36 -14.332 -2.954 -12.090 1.00 65.13 H new ATOM 0 HD11 ILE A 36 -10.971 -0.457 -14.136 1.00 63.20 H new ATOM 0 HD12 ILE A 36 -10.508 -0.375 -12.419 1.00 63.20 H new ATOM 0 HD13 ILE A 36 -10.684 -1.955 -13.219 1.00 63.20 H new ATOM 552 N SER A 37 -15.262 -1.659 -8.911 1.00 64.12 N ATOM 553 CA SER A 37 -15.649 -2.319 -7.670 1.00 21.11 C ATOM 554 C SER A 37 -15.743 -3.829 -7.864 1.00 70.42 C ATOM 555 O SER A 37 -15.930 -4.314 -8.981 1.00 11.11 O ATOM 556 CB SER A 37 -16.989 -1.773 -7.174 1.00 10.23 C ATOM 557 OG SER A 37 -18.021 -2.026 -8.111 1.00 14.30 O ATOM 0 H SER A 37 -16.045 -1.365 -9.495 1.00 64.12 H new ATOM 0 HA SER A 37 -14.882 -2.113 -6.923 1.00 21.11 H new ATOM 0 HB2 SER A 37 -17.241 -2.232 -6.218 1.00 10.23 H new ATOM 0 HB3 SER A 37 -16.906 -0.700 -7.000 1.00 10.23 H new ATOM 0 HG SER A 37 -18.867 -1.669 -7.770 1.00 14.30 H new ATOM 563 N THR A 38 -15.612 -4.570 -6.768 1.00 62.20 N ATOM 564 CA THR A 38 -15.680 -6.025 -6.816 1.00 74.20 C ATOM 565 C THR A 38 -17.001 -6.494 -7.417 1.00 45.21 C ATOM 566 O THR A 38 -17.105 -7.615 -7.916 1.00 44.51 O ATOM 567 CB THR A 38 -15.520 -6.642 -5.414 1.00 14.35 C ATOM 568 OG1 THR A 38 -15.840 -8.037 -5.452 1.00 63.04 O ATOM 569 CG2 THR A 38 -16.419 -5.938 -4.408 1.00 30.55 C ATOM 0 H THR A 38 -15.458 -4.186 -5.836 1.00 62.20 H new ATOM 0 HA THR A 38 -14.857 -6.359 -7.448 1.00 74.20 H new ATOM 0 HB THR A 38 -14.483 -6.517 -5.102 1.00 14.35 H new ATOM 0 HG1 THR A 38 -15.890 -8.386 -4.538 1.00 63.04 H new ATOM 0 HG21 THR A 38 -16.289 -6.391 -3.425 1.00 30.55 H new ATOM 0 HG22 THR A 38 -16.153 -4.882 -4.359 1.00 30.55 H new ATOM 0 HG23 THR A 38 -17.459 -6.037 -4.718 1.00 30.55 H new ATOM 577 N LYS A 39 -18.008 -5.629 -7.367 1.00 50.02 N ATOM 578 CA LYS A 39 -19.323 -5.953 -7.909 1.00 4.14 C ATOM 579 C LYS A 39 -19.278 -6.038 -9.431 1.00 31.01 C ATOM 580 O LYS A 39 -19.658 -7.052 -10.016 1.00 12.23 O ATOM 581 CB LYS A 39 -20.348 -4.903 -7.476 1.00 10.43 C ATOM 582 CG LYS A 39 -20.870 -5.108 -6.064 1.00 74.14 C ATOM 583 CD LYS A 39 -21.906 -4.059 -5.695 1.00 21.22 C ATOM 584 CE LYS A 39 -22.188 -4.057 -4.200 1.00 74.33 C ATOM 585 NZ LYS A 39 -23.250 -5.036 -3.835 1.00 53.53 N ATOM 0 H LYS A 39 -17.939 -4.698 -6.957 1.00 50.02 H new ATOM 0 HA LYS A 39 -19.621 -6.926 -7.517 1.00 4.14 H new ATOM 0 HB2 LYS A 39 -19.895 -3.914 -7.547 1.00 10.43 H new ATOM 0 HB3 LYS A 39 -21.188 -4.919 -8.171 1.00 10.43 H new ATOM 0 HG2 LYS A 39 -21.310 -6.101 -5.978 1.00 74.14 H new ATOM 0 HG3 LYS A 39 -20.040 -5.065 -5.358 1.00 74.14 H new ATOM 0 HD2 LYS A 39 -21.553 -3.074 -6.001 1.00 21.22 H new ATOM 0 HD3 LYS A 39 -22.830 -4.251 -6.241 1.00 21.22 H new ATOM 0 HE2 LYS A 39 -21.273 -4.294 -3.657 1.00 74.33 H new ATOM 0 HE3 LYS A 39 -22.493 -3.058 -3.889 1.00 74.33 H new ATOM 0 HZ1 LYS A 39 -23.413 -5.005 -2.808 1.00 53.53 H new ATOM 0 HZ2 LYS A 39 -24.131 -4.795 -4.333 1.00 53.53 H new ATOM 0 HZ3 LYS A 39 -22.949 -5.993 -4.108 1.00 53.53 H new ATOM 599 N GLU A 40 -18.810 -4.968 -10.066 1.00 12.33 N ATOM 600 CA GLU A 40 -18.716 -4.924 -11.520 1.00 51.52 C ATOM 601 C GLU A 40 -17.525 -5.740 -12.013 1.00 42.23 C ATOM 602 O GLU A 40 -17.553 -6.301 -13.109 1.00 73.24 O ATOM 603 CB GLU A 40 -18.591 -3.477 -12.002 1.00 12.54 C ATOM 604 CG GLU A 40 -19.576 -2.527 -11.339 1.00 25.51 C ATOM 605 CD GLU A 40 -21.019 -2.883 -11.637 1.00 13.14 C ATOM 606 OE1 GLU A 40 -21.457 -2.668 -12.786 1.00 54.03 O ATOM 607 OE2 GLU A 40 -21.711 -3.375 -10.721 1.00 23.21 O ATOM 0 H GLU A 40 -18.490 -4.121 -9.596 1.00 12.33 H new ATOM 0 HA GLU A 40 -19.627 -5.359 -11.930 1.00 51.52 H new ATOM 0 HB2 GLU A 40 -17.577 -3.126 -11.812 1.00 12.54 H new ATOM 0 HB3 GLU A 40 -18.742 -3.448 -13.081 1.00 12.54 H new ATOM 0 HG2 GLU A 40 -19.418 -2.540 -10.261 1.00 25.51 H new ATOM 0 HG3 GLU A 40 -19.379 -1.510 -11.678 1.00 25.51 H new ATOM 614 N LEU A 41 -16.479 -5.801 -11.197 1.00 44.31 N ATOM 615 CA LEU A 41 -15.276 -6.548 -11.549 1.00 41.41 C ATOM 616 C LEU A 41 -15.606 -8.010 -11.829 1.00 22.44 C ATOM 617 O LEU A 41 -15.112 -8.596 -12.792 1.00 12.34 O ATOM 618 CB LEU A 41 -14.244 -6.452 -10.424 1.00 14.43 C ATOM 619 CG LEU A 41 -12.945 -7.229 -10.636 1.00 31.41 C ATOM 620 CD1 LEU A 41 -12.449 -7.061 -12.064 1.00 34.22 C ATOM 621 CD2 LEU A 41 -11.884 -6.776 -9.644 1.00 41.21 C ATOM 0 H LEU A 41 -16.439 -5.342 -10.287 1.00 44.31 H new ATOM 0 HA LEU A 41 -14.858 -6.109 -12.455 1.00 41.41 H new ATOM 0 HB2 LEU A 41 -13.995 -5.401 -10.275 1.00 14.43 H new ATOM 0 HB3 LEU A 41 -14.708 -6.803 -9.502 1.00 14.43 H new ATOM 0 HG LEU A 41 -13.145 -8.287 -10.465 1.00 31.41 H new ATOM 0 HD11 LEU A 41 -11.523 -7.621 -12.196 1.00 34.22 H new ATOM 0 HD12 LEU A 41 -13.202 -7.436 -12.757 1.00 34.22 H new ATOM 0 HD13 LEU A 41 -12.266 -6.005 -12.264 1.00 34.22 H new ATOM 0 HD21 LEU A 41 -10.966 -7.340 -9.810 1.00 41.21 H new ATOM 0 HD22 LEU A 41 -11.687 -5.713 -9.782 1.00 41.21 H new ATOM 0 HD23 LEU A 41 -12.238 -6.950 -8.628 1.00 41.21 H new ATOM 633 N GLY A 42 -16.446 -8.595 -10.980 1.00 30.11 N ATOM 634 CA GLY A 42 -16.829 -9.984 -11.154 1.00 14.11 C ATOM 635 C GLY A 42 -17.447 -10.249 -12.513 1.00 23.14 C ATOM 636 O GLY A 42 -17.285 -11.332 -13.076 1.00 13.10 O ATOM 0 H GLY A 42 -16.868 -8.132 -10.175 1.00 30.11 H new ATOM 0 HA2 GLY A 42 -15.952 -10.618 -11.027 1.00 14.11 H new ATOM 0 HA3 GLY A 42 -17.539 -10.262 -10.375 1.00 14.11 H new ATOM 640 N LYS A 43 -18.158 -9.259 -13.041 1.00 1.10 N ATOM 641 CA LYS A 43 -18.803 -9.389 -14.342 1.00 71.20 C ATOM 642 C LYS A 43 -17.769 -9.598 -15.444 1.00 1.42 C ATOM 643 O LYS A 43 -17.897 -10.506 -16.265 1.00 45.20 O ATOM 644 CB LYS A 43 -19.643 -8.146 -14.645 1.00 22.13 C ATOM 645 CG LYS A 43 -21.140 -8.400 -14.611 1.00 62.43 C ATOM 646 CD LYS A 43 -21.897 -7.385 -15.451 1.00 2.25 C ATOM 647 CE LYS A 43 -23.309 -7.170 -14.927 1.00 24.24 C ATOM 648 NZ LYS A 43 -24.140 -6.382 -15.879 1.00 23.44 N ATOM 0 H LYS A 43 -18.302 -8.357 -12.588 1.00 1.10 H new ATOM 0 HA LYS A 43 -19.455 -10.262 -14.310 1.00 71.20 H new ATOM 0 HB2 LYS A 43 -19.399 -7.368 -13.922 1.00 22.13 H new ATOM 0 HB3 LYS A 43 -19.370 -7.764 -15.629 1.00 22.13 H new ATOM 0 HG2 LYS A 43 -21.348 -9.405 -14.978 1.00 62.43 H new ATOM 0 HG3 LYS A 43 -21.494 -8.358 -13.581 1.00 62.43 H new ATOM 0 HD2 LYS A 43 -21.359 -6.437 -15.450 1.00 2.25 H new ATOM 0 HD3 LYS A 43 -21.940 -7.726 -16.485 1.00 2.25 H new ATOM 0 HE2 LYS A 43 -23.781 -8.136 -14.747 1.00 24.24 H new ATOM 0 HE3 LYS A 43 -23.266 -6.653 -13.968 1.00 24.24 H new ATOM 0 HZ1 LYS A 43 -25.095 -6.257 -15.486 1.00 23.44 H new ATOM 0 HZ2 LYS A 43 -23.704 -5.450 -16.032 1.00 23.44 H new ATOM 0 HZ3 LYS A 43 -24.203 -6.887 -16.786 1.00 23.44 H new ATOM 662 N VAL A 44 -16.744 -8.752 -15.455 1.00 3.44 N ATOM 663 CA VAL A 44 -15.686 -8.845 -16.454 1.00 11.11 C ATOM 664 C VAL A 44 -15.079 -10.243 -16.483 1.00 30.14 C ATOM 665 O VAL A 44 -14.556 -10.683 -17.506 1.00 50.42 O ATOM 666 CB VAL A 44 -14.570 -7.818 -16.187 1.00 43.21 C ATOM 667 CG1 VAL A 44 -13.445 -7.976 -17.199 1.00 73.12 C ATOM 668 CG2 VAL A 44 -15.129 -6.404 -16.216 1.00 53.44 C ATOM 0 H VAL A 44 -16.624 -7.994 -14.783 1.00 3.44 H new ATOM 0 HA VAL A 44 -16.143 -8.630 -17.420 1.00 11.11 H new ATOM 0 HB VAL A 44 -14.161 -8.002 -15.193 1.00 43.21 H new ATOM 0 HG11 VAL A 44 -12.666 -7.242 -16.994 1.00 73.12 H new ATOM 0 HG12 VAL A 44 -13.027 -8.980 -17.124 1.00 73.12 H new ATOM 0 HG13 VAL A 44 -13.836 -7.820 -18.205 1.00 73.12 H new ATOM 0 HG21 VAL A 44 -14.326 -5.691 -16.025 1.00 53.44 H new ATOM 0 HG22 VAL A 44 -15.566 -6.205 -17.195 1.00 53.44 H new ATOM 0 HG23 VAL A 44 -15.896 -6.300 -15.449 1.00 53.44 H new ATOM 678 N MET A 45 -15.153 -10.938 -15.352 1.00 1.41 N ATOM 679 CA MET A 45 -14.612 -12.288 -15.248 1.00 42.22 C ATOM 680 C MET A 45 -15.440 -13.270 -16.070 1.00 72.12 C ATOM 681 O MET A 45 -14.916 -14.254 -16.591 1.00 63.44 O ATOM 682 CB MET A 45 -14.574 -12.734 -13.785 1.00 62.03 C ATOM 683 CG MET A 45 -14.065 -11.662 -12.836 1.00 2.51 C ATOM 684 SD MET A 45 -12.481 -10.971 -13.353 1.00 32.35 S ATOM 685 CE MET A 45 -11.618 -12.454 -13.867 1.00 44.55 C ATOM 0 H MET A 45 -15.582 -10.588 -14.495 1.00 1.41 H new ATOM 0 HA MET A 45 -13.596 -12.277 -15.643 1.00 42.22 H new ATOM 0 HB2 MET A 45 -15.577 -13.033 -13.479 1.00 62.03 H new ATOM 0 HB3 MET A 45 -13.939 -13.615 -13.699 1.00 62.03 H new ATOM 0 HG2 MET A 45 -14.802 -10.861 -12.770 1.00 2.51 H new ATOM 0 HG3 MET A 45 -13.963 -12.085 -11.837 1.00 2.51 H new ATOM 0 HE1 MET A 45 -10.543 -12.277 -13.840 1.00 44.55 H new ATOM 0 HE2 MET A 45 -11.868 -13.273 -13.193 1.00 44.55 H new ATOM 0 HE3 MET A 45 -11.917 -12.716 -14.882 1.00 44.55 H new ATOM 695 N ARG A 46 -16.736 -12.996 -16.181 1.00 61.35 N ATOM 696 CA ARG A 46 -17.636 -13.857 -16.939 1.00 34.12 C ATOM 697 C ARG A 46 -17.330 -13.785 -18.432 1.00 13.41 C ATOM 698 O ARG A 46 -17.327 -14.802 -19.125 1.00 1.42 O ATOM 699 CB ARG A 46 -19.091 -13.458 -16.686 1.00 13.43 C ATOM 700 CG ARG A 46 -19.671 -12.555 -17.762 1.00 72.04 C ATOM 701 CD ARG A 46 -21.094 -12.135 -17.430 1.00 13.41 C ATOM 702 NE ARG A 46 -21.803 -11.626 -18.601 1.00 44.14 N ATOM 703 CZ ARG A 46 -22.979 -11.012 -18.540 1.00 2.23 C ATOM 704 NH1 ARG A 46 -23.575 -10.831 -17.370 1.00 13.35 N ATOM 705 NH2 ARG A 46 -23.561 -10.577 -19.650 1.00 44.11 N ATOM 0 H ARG A 46 -17.186 -12.185 -15.756 1.00 61.35 H new ATOM 0 HA ARG A 46 -17.484 -14.883 -16.604 1.00 34.12 H new ATOM 0 HB2 ARG A 46 -19.699 -14.360 -16.614 1.00 13.43 H new ATOM 0 HB3 ARG A 46 -19.158 -12.951 -15.723 1.00 13.43 H new ATOM 0 HG2 ARG A 46 -19.045 -11.669 -17.871 1.00 72.04 H new ATOM 0 HG3 ARG A 46 -19.658 -13.074 -18.720 1.00 72.04 H new ATOM 0 HD2 ARG A 46 -21.637 -12.987 -17.020 1.00 13.41 H new ATOM 0 HD3 ARG A 46 -21.074 -11.367 -16.657 1.00 13.41 H new ATOM 0 HE ARG A 46 -21.371 -11.749 -19.517 1.00 44.14 H new ATOM 0 HH11 ARG A 46 -23.130 -11.164 -16.514 1.00 13.35 H new ATOM 0 HH12 ARG A 46 -24.478 -10.359 -17.325 1.00 13.35 H new ATOM 0 HH21 ARG A 46 -23.105 -10.714 -20.552 1.00 44.11 H new ATOM 0 HH22 ARG A 46 -24.464 -10.106 -19.601 1.00 44.11 H new ATOM 719 N MET A 47 -17.074 -12.575 -18.920 1.00 72.41 N ATOM 720 CA MET A 47 -16.766 -12.371 -20.331 1.00 14.32 C ATOM 721 C MET A 47 -15.379 -12.908 -20.668 1.00 73.22 C ATOM 722 O MET A 47 -15.107 -13.278 -21.811 1.00 62.10 O ATOM 723 CB MET A 47 -16.849 -10.884 -20.682 1.00 75.04 C ATOM 724 CG MET A 47 -15.794 -10.036 -19.992 1.00 24.33 C ATOM 725 SD MET A 47 -15.554 -8.438 -20.792 1.00 23.25 S ATOM 726 CE MET A 47 -17.119 -7.643 -20.436 1.00 23.04 C ATOM 0 H MET A 47 -17.074 -11.722 -18.360 1.00 72.41 H new ATOM 0 HA MET A 47 -17.501 -12.919 -20.921 1.00 14.32 H new ATOM 0 HB2 MET A 47 -16.748 -10.768 -21.761 1.00 75.04 H new ATOM 0 HB3 MET A 47 -17.837 -10.510 -20.412 1.00 75.04 H new ATOM 0 HG2 MET A 47 -16.083 -9.878 -18.953 1.00 24.33 H new ATOM 0 HG3 MET A 47 -14.848 -10.578 -19.981 1.00 24.33 H new ATOM 0 HE1 MET A 47 -17.118 -6.635 -20.852 1.00 23.04 H new ATOM 0 HE2 MET A 47 -17.930 -8.219 -20.882 1.00 23.04 H new ATOM 0 HE3 MET A 47 -17.263 -7.590 -19.357 1.00 23.04 H new ATOM 736 N LEU A 48 -14.506 -12.948 -19.668 1.00 30.41 N ATOM 737 CA LEU A 48 -13.146 -13.441 -19.859 1.00 11.21 C ATOM 738 C LEU A 48 -13.127 -14.963 -19.957 1.00 41.23 C ATOM 739 O LEU A 48 -12.222 -15.545 -20.554 1.00 32.10 O ATOM 740 CB LEU A 48 -12.250 -12.981 -18.707 1.00 70.44 C ATOM 741 CG LEU A 48 -11.777 -11.529 -18.764 1.00 3.53 C ATOM 742 CD1 LEU A 48 -10.928 -11.196 -17.546 1.00 53.11 C ATOM 743 CD2 LEU A 48 -10.998 -11.271 -20.045 1.00 42.43 C ATOM 0 H LEU A 48 -14.715 -12.645 -18.717 1.00 30.41 H new ATOM 0 HA LEU A 48 -12.765 -13.031 -20.794 1.00 11.21 H new ATOM 0 HB2 LEU A 48 -12.790 -13.130 -17.772 1.00 70.44 H new ATOM 0 HB3 LEU A 48 -11.373 -13.627 -18.675 1.00 70.44 H new ATOM 0 HG LEU A 48 -12.654 -10.881 -18.759 1.00 3.53 H new ATOM 0 HD11 LEU A 48 -10.600 -10.158 -17.604 1.00 53.11 H new ATOM 0 HD12 LEU A 48 -11.518 -11.340 -16.641 1.00 53.11 H new ATOM 0 HD13 LEU A 48 -10.057 -11.851 -17.520 1.00 53.11 H new ATOM 0 HD21 LEU A 48 -10.669 -10.232 -20.068 1.00 42.43 H new ATOM 0 HD22 LEU A 48 -10.129 -11.928 -20.081 1.00 42.43 H new ATOM 0 HD23 LEU A 48 -11.637 -11.468 -20.906 1.00 42.43 H new ATOM 755 N GLY A 49 -14.134 -15.602 -19.369 1.00 3.31 N ATOM 756 CA GLY A 49 -14.214 -17.050 -19.404 1.00 34.34 C ATOM 757 C GLY A 49 -14.027 -17.674 -18.035 1.00 34.40 C ATOM 758 O GLY A 49 -13.756 -18.870 -17.923 1.00 52.44 O ATOM 0 H GLY A 49 -14.895 -15.143 -18.869 1.00 3.31 H new ATOM 0 HA2 GLY A 49 -15.182 -17.348 -19.806 1.00 34.34 H new ATOM 0 HA3 GLY A 49 -13.454 -17.437 -20.083 1.00 34.34 H new ATOM 762 N GLN A 50 -14.171 -16.863 -16.992 1.00 30.41 N ATOM 763 CA GLN A 50 -14.013 -17.344 -15.624 1.00 54.41 C ATOM 764 C GLN A 50 -15.232 -16.988 -14.779 1.00 21.34 C ATOM 765 O GLN A 50 -16.009 -16.103 -15.134 1.00 20.23 O ATOM 766 CB GLN A 50 -12.751 -16.751 -14.995 1.00 52.24 C ATOM 767 CG GLN A 50 -11.462 -17.313 -15.573 1.00 32.03 C ATOM 768 CD GLN A 50 -10.961 -16.519 -16.763 1.00 4.03 C ATOM 769 OE1 GLN A 50 -10.951 -17.010 -17.892 1.00 23.12 O ATOM 770 NE2 GLN A 50 -10.541 -15.284 -16.516 1.00 4.31 N ATOM 0 H GLN A 50 -14.396 -15.871 -17.068 1.00 30.41 H new ATOM 0 HA GLN A 50 -13.919 -18.429 -15.655 1.00 54.41 H new ATOM 0 HB2 GLN A 50 -12.760 -15.670 -15.132 1.00 52.24 H new ATOM 0 HB3 GLN A 50 -12.769 -16.936 -13.921 1.00 52.24 H new ATOM 0 HG2 GLN A 50 -10.695 -17.323 -14.799 1.00 32.03 H new ATOM 0 HG3 GLN A 50 -11.624 -18.348 -15.874 1.00 32.03 H new ATOM 0 HE21 GLN A 50 -10.567 -14.917 -15.565 1.00 4.31 H new ATOM 0 HE22 GLN A 50 -10.192 -14.702 -17.278 1.00 4.31 H new ATOM 779 N ASN A 51 -15.392 -17.685 -13.658 1.00 72.23 N ATOM 780 CA ASN A 51 -16.517 -17.444 -12.762 1.00 53.33 C ATOM 781 C ASN A 51 -16.071 -17.488 -11.304 1.00 44.11 C ATOM 782 O ASN A 51 -16.445 -18.378 -10.541 1.00 33.40 O ATOM 783 CB ASN A 51 -17.618 -18.479 -13.002 1.00 12.23 C ATOM 784 CG ASN A 51 -18.795 -18.299 -12.063 1.00 14.42 C ATOM 785 OD1 ASN A 51 -19.127 -17.179 -11.672 1.00 44.05 O ATOM 786 ND2 ASN A 51 -19.434 -19.404 -11.695 1.00 44.35 N ATOM 0 H ASN A 51 -14.757 -18.421 -13.349 1.00 72.23 H new ATOM 0 HA ASN A 51 -16.910 -16.450 -12.973 1.00 53.33 H new ATOM 0 HB2 ASN A 51 -17.964 -18.405 -14.033 1.00 12.23 H new ATOM 0 HB3 ASN A 51 -17.206 -19.480 -12.876 1.00 12.23 H new ATOM 0 HD21 ASN A 51 -20.234 -19.345 -11.064 1.00 44.35 H new ATOM 0 HD22 ASN A 51 -19.125 -20.312 -12.043 1.00 44.35 H new ATOM 793 N PRO A 52 -15.251 -16.504 -10.906 1.00 42.34 N ATOM 794 CA PRO A 52 -14.736 -16.407 -9.537 1.00 60.12 C ATOM 795 C PRO A 52 -15.824 -16.040 -8.534 1.00 4.34 C ATOM 796 O PRO A 52 -16.719 -15.248 -8.833 1.00 64.52 O ATOM 797 CB PRO A 52 -13.693 -15.290 -9.628 1.00 71.33 C ATOM 798 CG PRO A 52 -14.129 -14.459 -10.785 1.00 44.22 C ATOM 799 CD PRO A 52 -14.764 -15.409 -11.762 1.00 64.14 C ATOM 0 HA PRO A 52 -14.333 -17.357 -9.185 1.00 60.12 H new ATOM 0 HB2 PRO A 52 -13.659 -14.704 -8.710 1.00 71.33 H new ATOM 0 HB3 PRO A 52 -12.693 -15.694 -9.785 1.00 71.33 H new ATOM 0 HG2 PRO A 52 -14.837 -13.692 -10.470 1.00 44.22 H new ATOM 0 HG3 PRO A 52 -13.281 -13.944 -11.237 1.00 44.22 H new ATOM 0 HD2 PRO A 52 -15.578 -14.936 -12.311 1.00 64.14 H new ATOM 0 HD3 PRO A 52 -14.046 -15.765 -12.501 1.00 64.14 H new ATOM 807 N THR A 53 -15.741 -16.619 -7.340 1.00 0.24 N ATOM 808 CA THR A 53 -16.718 -16.353 -6.292 1.00 15.21 C ATOM 809 C THR A 53 -16.813 -14.861 -5.994 1.00 3.13 C ATOM 810 O THR A 53 -15.910 -14.083 -6.304 1.00 54.04 O ATOM 811 CB THR A 53 -16.368 -17.103 -4.993 1.00 71.21 C ATOM 812 OG1 THR A 53 -14.950 -17.279 -4.896 1.00 73.23 O ATOM 813 CG2 THR A 53 -17.057 -18.459 -4.949 1.00 3.12 C ATOM 0 H THR A 53 -15.007 -17.275 -7.075 1.00 0.24 H new ATOM 0 HA THR A 53 -17.680 -16.709 -6.660 1.00 15.21 H new ATOM 0 HB THR A 53 -16.718 -16.508 -4.150 1.00 71.21 H new ATOM 0 HG1 THR A 53 -14.735 -17.755 -4.067 1.00 73.23 H new ATOM 0 HG21 THR A 53 -16.795 -18.970 -4.023 1.00 3.12 H new ATOM 0 HG22 THR A 53 -18.137 -18.320 -4.994 1.00 3.12 H new ATOM 0 HG23 THR A 53 -16.733 -19.059 -5.799 1.00 3.12 H new ATOM 821 N PRO A 54 -17.930 -14.449 -5.376 1.00 70.51 N ATOM 822 CA PRO A 54 -18.168 -13.047 -5.021 1.00 62.21 C ATOM 823 C PRO A 54 -17.254 -12.571 -3.897 1.00 41.22 C ATOM 824 O PRO A 54 -16.629 -11.516 -3.999 1.00 44.02 O ATOM 825 CB PRO A 54 -19.628 -13.040 -4.562 1.00 71.22 C ATOM 826 CG PRO A 54 -19.887 -14.433 -4.101 1.00 40.11 C ATOM 827 CD PRO A 54 -19.047 -15.322 -4.976 1.00 50.32 C ATOM 0 HA PRO A 54 -17.966 -12.375 -5.855 1.00 62.21 H new ATOM 0 HB2 PRO A 54 -19.787 -12.321 -3.758 1.00 71.22 H new ATOM 0 HB3 PRO A 54 -20.297 -12.761 -5.376 1.00 71.22 H new ATOM 0 HG2 PRO A 54 -19.619 -14.553 -3.051 1.00 40.11 H new ATOM 0 HG3 PRO A 54 -20.944 -14.683 -4.191 1.00 40.11 H new ATOM 0 HD2 PRO A 54 -18.696 -16.202 -4.436 1.00 50.32 H new ATOM 0 HD3 PRO A 54 -19.607 -15.680 -5.840 1.00 50.32 H new ATOM 835 N GLU A 55 -17.182 -13.355 -2.827 1.00 24.45 N ATOM 836 CA GLU A 55 -16.344 -13.012 -1.684 1.00 3.23 C ATOM 837 C GLU A 55 -14.868 -13.009 -2.072 1.00 70.12 C ATOM 838 O GLU A 55 -14.066 -12.275 -1.496 1.00 62.12 O ATOM 839 CB GLU A 55 -16.579 -13.997 -0.536 1.00 45.44 C ATOM 840 CG GLU A 55 -17.960 -13.887 0.087 1.00 41.21 C ATOM 841 CD GLU A 55 -18.066 -14.630 1.405 1.00 50.44 C ATOM 842 OE1 GLU A 55 -17.225 -15.519 1.653 1.00 73.33 O ATOM 843 OE2 GLU A 55 -18.989 -14.322 2.187 1.00 11.11 O ATOM 0 H GLU A 55 -17.693 -14.232 -2.727 1.00 24.45 H new ATOM 0 HA GLU A 55 -16.617 -12.010 -1.355 1.00 3.23 H new ATOM 0 HB2 GLU A 55 -16.436 -15.013 -0.905 1.00 45.44 H new ATOM 0 HB3 GLU A 55 -15.827 -13.829 0.235 1.00 45.44 H new ATOM 0 HG2 GLU A 55 -18.200 -12.836 0.246 1.00 41.21 H new ATOM 0 HG3 GLU A 55 -18.701 -14.281 -0.609 1.00 41.21 H new ATOM 850 N GLU A 56 -14.519 -13.836 -3.053 1.00 23.13 N ATOM 851 CA GLU A 56 -13.140 -13.930 -3.517 1.00 24.00 C ATOM 852 C GLU A 56 -12.700 -12.629 -4.182 1.00 5.23 C ATOM 853 O GLU A 56 -11.602 -12.129 -3.929 1.00 72.52 O ATOM 854 CB GLU A 56 -12.987 -15.094 -4.498 1.00 44.03 C ATOM 855 CG GLU A 56 -11.588 -15.221 -5.079 1.00 12.30 C ATOM 856 CD GLU A 56 -11.264 -16.636 -5.517 1.00 14.11 C ATOM 857 OE1 GLU A 56 -11.410 -17.560 -4.689 1.00 64.14 O ATOM 858 OE2 GLU A 56 -10.866 -16.819 -6.686 1.00 22.42 O ATOM 0 H GLU A 56 -15.172 -14.450 -3.541 1.00 23.13 H new ATOM 0 HA GLU A 56 -12.503 -14.108 -2.650 1.00 24.00 H new ATOM 0 HB2 GLU A 56 -13.246 -16.023 -3.990 1.00 44.03 H new ATOM 0 HB3 GLU A 56 -13.700 -14.967 -5.313 1.00 44.03 H new ATOM 0 HG2 GLU A 56 -11.491 -14.549 -5.932 1.00 12.30 H new ATOM 0 HG3 GLU A 56 -10.859 -14.899 -4.335 1.00 12.30 H new ATOM 865 N LEU A 57 -13.562 -12.085 -5.033 1.00 15.03 N ATOM 866 CA LEU A 57 -13.264 -10.842 -5.735 1.00 50.31 C ATOM 867 C LEU A 57 -12.821 -9.757 -4.758 1.00 62.33 C ATOM 868 O LEU A 57 -11.746 -9.177 -4.908 1.00 11.45 O ATOM 869 CB LEU A 57 -14.490 -10.369 -6.518 1.00 42.53 C ATOM 870 CG LEU A 57 -14.933 -11.263 -7.677 1.00 23.24 C ATOM 871 CD1 LEU A 57 -16.364 -10.945 -8.080 1.00 40.40 C ATOM 872 CD2 LEU A 57 -13.994 -11.103 -8.863 1.00 41.04 C ATOM 0 H LEU A 57 -14.474 -12.485 -5.254 1.00 15.03 H new ATOM 0 HA LEU A 57 -12.447 -11.034 -6.431 1.00 50.31 H new ATOM 0 HB2 LEU A 57 -15.324 -10.270 -5.823 1.00 42.53 H new ATOM 0 HB3 LEU A 57 -14.283 -9.374 -6.912 1.00 42.53 H new ATOM 0 HG LEU A 57 -14.893 -12.301 -7.346 1.00 23.24 H new ATOM 0 HD11 LEU A 57 -16.662 -11.591 -8.906 1.00 40.40 H new ATOM 0 HD12 LEU A 57 -17.027 -11.113 -7.231 1.00 40.40 H new ATOM 0 HD13 LEU A 57 -16.431 -9.903 -8.392 1.00 40.40 H new ATOM 0 HD21 LEU A 57 -14.325 -11.747 -9.678 1.00 41.04 H new ATOM 0 HD22 LEU A 57 -14.001 -10.065 -9.195 1.00 41.04 H new ATOM 0 HD23 LEU A 57 -12.983 -11.383 -8.567 1.00 41.04 H new ATOM 884 N GLN A 58 -13.655 -9.492 -3.758 1.00 52.34 N ATOM 885 CA GLN A 58 -13.348 -8.478 -2.756 1.00 62.23 C ATOM 886 C GLN A 58 -12.158 -8.901 -1.901 1.00 60.42 C ATOM 887 O GLN A 58 -11.463 -8.062 -1.330 1.00 43.13 O ATOM 888 CB GLN A 58 -14.566 -8.225 -1.866 1.00 41.45 C ATOM 889 CG GLN A 58 -14.244 -7.445 -0.602 1.00 2.21 C ATOM 890 CD GLN A 58 -15.374 -6.528 -0.178 1.00 32.02 C ATOM 891 OE1 GLN A 58 -16.358 -6.970 0.416 1.00 73.44 O ATOM 892 NE2 GLN A 58 -15.239 -5.242 -0.480 1.00 72.14 N ATOM 0 H GLN A 58 -14.548 -9.965 -3.620 1.00 52.34 H new ATOM 0 HA GLN A 58 -13.089 -7.556 -3.276 1.00 62.23 H new ATOM 0 HB2 GLN A 58 -15.317 -7.680 -2.438 1.00 41.45 H new ATOM 0 HB3 GLN A 58 -15.009 -9.182 -1.590 1.00 41.45 H new ATOM 0 HG2 GLN A 58 -14.026 -8.144 0.206 1.00 2.21 H new ATOM 0 HG3 GLN A 58 -13.343 -6.854 -0.764 1.00 2.21 H new ATOM 0 HE21 GLN A 58 -14.407 -4.919 -0.973 1.00 72.14 H new ATOM 0 HE22 GLN A 58 -15.967 -4.578 -0.219 1.00 72.14 H new ATOM 901 N GLU A 59 -11.931 -10.209 -1.818 1.00 4.44 N ATOM 902 CA GLU A 59 -10.825 -10.742 -1.031 1.00 31.24 C ATOM 903 C GLU A 59 -9.489 -10.204 -1.535 1.00 10.05 C ATOM 904 O GLU A 59 -8.685 -9.685 -0.760 1.00 73.14 O ATOM 905 CB GLU A 59 -10.824 -12.271 -1.083 1.00 61.42 C ATOM 906 CG GLU A 59 -10.033 -12.918 0.041 1.00 22.42 C ATOM 907 CD GLU A 59 -10.833 -13.039 1.323 1.00 34.33 C ATOM 908 OE1 GLU A 59 -10.833 -12.075 2.117 1.00 61.41 O ATOM 909 OE2 GLU A 59 -11.461 -14.099 1.532 1.00 1.24 O ATOM 0 H GLU A 59 -12.497 -10.917 -2.285 1.00 4.44 H new ATOM 0 HA GLU A 59 -10.960 -10.421 0.002 1.00 31.24 H new ATOM 0 HB2 GLU A 59 -11.853 -12.628 -1.044 1.00 61.42 H new ATOM 0 HB3 GLU A 59 -10.411 -12.593 -2.039 1.00 61.42 H new ATOM 0 HG2 GLU A 59 -9.706 -13.909 -0.274 1.00 22.42 H new ATOM 0 HG3 GLU A 59 -9.134 -12.332 0.232 1.00 22.42 H new ATOM 916 N MET A 60 -9.259 -10.333 -2.837 1.00 55.52 N ATOM 917 CA MET A 60 -8.021 -9.859 -3.445 1.00 55.31 C ATOM 918 C MET A 60 -7.952 -8.335 -3.420 1.00 61.10 C ATOM 919 O MET A 60 -6.877 -7.756 -3.256 1.00 73.54 O ATOM 920 CB MET A 60 -7.910 -10.362 -4.885 1.00 70.44 C ATOM 921 CG MET A 60 -7.490 -11.820 -4.989 1.00 15.32 C ATOM 922 SD MET A 60 -5.705 -12.038 -4.870 1.00 63.54 S ATOM 923 CE MET A 60 -5.352 -12.807 -6.449 1.00 73.42 C ATOM 0 H MET A 60 -9.913 -10.762 -3.492 1.00 55.52 H new ATOM 0 HA MET A 60 -7.186 -10.253 -2.865 1.00 55.31 H new ATOM 0 HB2 MET A 60 -8.872 -10.233 -5.381 1.00 70.44 H new ATOM 0 HB3 MET A 60 -7.189 -9.746 -5.422 1.00 70.44 H new ATOM 0 HG2 MET A 60 -7.975 -12.391 -4.198 1.00 15.32 H new ATOM 0 HG3 MET A 60 -7.840 -12.228 -5.937 1.00 15.32 H new ATOM 0 HE1 MET A 60 -4.283 -13.005 -6.526 1.00 73.42 H new ATOM 0 HE2 MET A 60 -5.901 -13.745 -6.528 1.00 73.42 H new ATOM 0 HE3 MET A 60 -5.657 -12.139 -7.255 1.00 73.42 H new ATOM 933 N ILE A 61 -9.103 -7.692 -3.583 1.00 50.03 N ATOM 934 CA ILE A 61 -9.171 -6.236 -3.578 1.00 74.04 C ATOM 935 C ILE A 61 -8.818 -5.674 -2.206 1.00 10.32 C ATOM 936 O ILE A 61 -8.398 -4.523 -2.084 1.00 55.44 O ATOM 937 CB ILE A 61 -10.572 -5.737 -3.980 1.00 41.22 C ATOM 938 CG1 ILE A 61 -10.864 -6.091 -5.440 1.00 32.23 C ATOM 939 CG2 ILE A 61 -10.682 -4.235 -3.762 1.00 22.22 C ATOM 940 CD1 ILE A 61 -12.209 -5.596 -5.924 1.00 43.42 C ATOM 0 H ILE A 61 -10.001 -8.156 -3.720 1.00 50.03 H new ATOM 0 HA ILE A 61 -8.444 -5.883 -4.310 1.00 74.04 H new ATOM 0 HB ILE A 61 -11.312 -6.231 -3.351 1.00 41.22 H new ATOM 0 HG12 ILE A 61 -10.082 -5.669 -6.071 1.00 32.23 H new ATOM 0 HG13 ILE A 61 -10.820 -7.174 -5.559 1.00 32.23 H new ATOM 0 HG21 ILE A 61 -11.677 -3.897 -4.051 1.00 22.22 H new ATOM 0 HG22 ILE A 61 -10.512 -4.007 -2.710 1.00 22.22 H new ATOM 0 HG23 ILE A 61 -9.935 -3.724 -4.369 1.00 22.22 H new ATOM 0 HD11 ILE A 61 -12.349 -5.883 -6.966 1.00 43.42 H new ATOM 0 HD12 ILE A 61 -12.999 -6.038 -5.317 1.00 43.42 H new ATOM 0 HD13 ILE A 61 -12.250 -4.510 -5.838 1.00 43.42 H new ATOM 952 N ASP A 62 -8.989 -6.494 -1.175 1.00 1.22 N ATOM 953 CA ASP A 62 -8.685 -6.080 0.190 1.00 12.21 C ATOM 954 C ASP A 62 -7.189 -5.836 0.364 1.00 54.00 C ATOM 955 O ASP A 62 -6.776 -4.795 0.873 1.00 52.30 O ATOM 956 CB ASP A 62 -9.161 -7.140 1.185 1.00 2.40 C ATOM 957 CG ASP A 62 -8.915 -6.734 2.625 1.00 40.21 C ATOM 958 OD1 ASP A 62 -9.111 -5.544 2.947 1.00 10.51 O ATOM 959 OD2 ASP A 62 -8.526 -7.606 3.429 1.00 24.34 O ATOM 0 H ASP A 62 -9.337 -7.449 -1.258 1.00 1.22 H new ATOM 0 HA ASP A 62 -9.212 -5.146 0.386 1.00 12.21 H new ATOM 0 HB2 ASP A 62 -10.226 -7.320 1.038 1.00 2.40 H new ATOM 0 HB3 ASP A 62 -8.648 -8.080 0.983 1.00 2.40 H new ATOM 964 N GLU A 63 -6.384 -6.804 -0.062 1.00 3.04 N ATOM 965 CA GLU A 63 -4.934 -6.694 0.049 1.00 21.14 C ATOM 966 C GLU A 63 -4.389 -5.665 -0.937 1.00 12.55 C ATOM 967 O GLU A 63 -3.318 -5.094 -0.728 1.00 34.24 O ATOM 968 CB GLU A 63 -4.277 -8.053 -0.200 1.00 64.15 C ATOM 969 CG GLU A 63 -2.784 -7.967 -0.472 1.00 11.33 C ATOM 970 CD GLU A 63 -2.022 -9.159 0.074 1.00 50.23 C ATOM 971 OE1 GLU A 63 -2.640 -10.230 0.246 1.00 24.20 O ATOM 972 OE2 GLU A 63 -0.807 -9.020 0.328 1.00 51.40 O ATOM 0 H GLU A 63 -6.711 -7.672 -0.487 1.00 3.04 H new ATOM 0 HA GLU A 63 -4.697 -6.363 1.060 1.00 21.14 H new ATOM 0 HB2 GLU A 63 -4.444 -8.692 0.667 1.00 64.15 H new ATOM 0 HB3 GLU A 63 -4.765 -8.533 -1.048 1.00 64.15 H new ATOM 0 HG2 GLU A 63 -2.618 -7.896 -1.547 1.00 11.33 H new ATOM 0 HG3 GLU A 63 -2.389 -7.053 -0.027 1.00 11.33 H new ATOM 979 N VAL A 64 -5.134 -5.432 -2.013 1.00 34.25 N ATOM 980 CA VAL A 64 -4.728 -4.472 -3.031 1.00 42.42 C ATOM 981 C VAL A 64 -5.071 -3.047 -2.611 1.00 5.21 C ATOM 982 O VAL A 64 -4.281 -2.123 -2.808 1.00 64.43 O ATOM 983 CB VAL A 64 -5.399 -4.771 -4.385 1.00 24.31 C ATOM 984 CG1 VAL A 64 -4.987 -3.740 -5.425 1.00 21.42 C ATOM 985 CG2 VAL A 64 -5.053 -6.178 -4.850 1.00 51.35 C ATOM 0 H VAL A 64 -6.023 -5.896 -2.202 1.00 34.25 H new ATOM 0 HA VAL A 64 -3.648 -4.566 -3.141 1.00 42.42 H new ATOM 0 HB VAL A 64 -6.480 -4.710 -4.257 1.00 24.31 H new ATOM 0 HG11 VAL A 64 -5.471 -3.968 -6.375 1.00 21.42 H new ATOM 0 HG12 VAL A 64 -5.289 -2.747 -5.093 1.00 21.42 H new ATOM 0 HG13 VAL A 64 -3.905 -3.766 -5.554 1.00 21.42 H new ATOM 0 HG21 VAL A 64 -5.535 -6.373 -5.808 1.00 51.35 H new ATOM 0 HG22 VAL A 64 -3.973 -6.269 -4.962 1.00 51.35 H new ATOM 0 HG23 VAL A 64 -5.403 -6.901 -4.113 1.00 51.35 H new ATOM 995 N ASP A 65 -6.253 -2.876 -2.030 1.00 41.41 N ATOM 996 CA ASP A 65 -6.701 -1.563 -1.580 1.00 5.24 C ATOM 997 C ASP A 65 -5.922 -1.117 -0.345 1.00 73.35 C ATOM 998 O ASP A 65 -6.406 -1.235 0.780 1.00 64.00 O ATOM 999 CB ASP A 65 -8.198 -1.589 -1.271 1.00 74.23 C ATOM 1000 CG ASP A 65 -8.837 -0.219 -1.385 1.00 11.01 C ATOM 1001 OD1 ASP A 65 -8.121 0.743 -1.736 1.00 32.52 O ATOM 1002 OD2 ASP A 65 -10.053 -0.108 -1.124 1.00 30.22 O ATOM 0 H ASP A 65 -6.918 -3.630 -1.859 1.00 41.41 H new ATOM 0 HA ASP A 65 -6.516 -0.849 -2.382 1.00 5.24 H new ATOM 0 HB2 ASP A 65 -8.695 -2.277 -1.955 1.00 74.23 H new ATOM 0 HB3 ASP A 65 -8.351 -1.975 -0.263 1.00 74.23 H new ATOM 1007 N GLU A 66 -4.715 -0.607 -0.566 1.00 1.42 N ATOM 1008 CA GLU A 66 -3.870 -0.146 0.529 1.00 3.44 C ATOM 1009 C GLU A 66 -4.433 1.128 1.152 1.00 13.35 C ATOM 1010 O GLU A 66 -4.230 1.395 2.337 1.00 11.10 O ATOM 1011 CB GLU A 66 -2.444 0.104 0.033 1.00 72.03 C ATOM 1012 CG GLU A 66 -2.374 1.002 -1.191 1.00 54.00 C ATOM 1013 CD GLU A 66 -0.969 1.498 -1.472 1.00 31.35 C ATOM 1014 OE1 GLU A 66 -0.044 1.108 -0.728 1.00 50.52 O ATOM 1015 OE2 GLU A 66 -0.794 2.274 -2.433 1.00 53.54 O ATOM 0 H GLU A 66 -4.301 -0.503 -1.492 1.00 1.42 H new ATOM 0 HA GLU A 66 -3.851 -0.925 1.291 1.00 3.44 H new ATOM 0 HB2 GLU A 66 -1.862 0.554 0.837 1.00 72.03 H new ATOM 0 HB3 GLU A 66 -1.977 -0.853 -0.201 1.00 72.03 H new ATOM 0 HG2 GLU A 66 -2.743 0.456 -2.059 1.00 54.00 H new ATOM 0 HG3 GLU A 66 -3.035 1.857 -1.048 1.00 54.00 H new ATOM 1022 N ASP A 67 -5.141 1.911 0.346 1.00 53.02 N ATOM 1023 CA ASP A 67 -5.735 3.157 0.817 1.00 71.12 C ATOM 1024 C ASP A 67 -7.186 2.943 1.238 1.00 64.43 C ATOM 1025 O ASP A 67 -7.817 3.835 1.802 1.00 73.04 O ATOM 1026 CB ASP A 67 -5.660 4.227 -0.274 1.00 32.32 C ATOM 1027 CG ASP A 67 -6.075 3.698 -1.633 1.00 14.13 C ATOM 1028 OD1 ASP A 67 -7.201 3.167 -1.745 1.00 5.51 O ATOM 1029 OD2 ASP A 67 -5.276 3.816 -2.584 1.00 64.12 O ATOM 0 H ASP A 67 -5.318 1.705 -0.637 1.00 53.02 H new ATOM 0 HA ASP A 67 -5.170 3.494 1.686 1.00 71.12 H new ATOM 0 HB2 ASP A 67 -6.302 5.065 -0.002 1.00 32.32 H new ATOM 0 HB3 ASP A 67 -4.642 4.611 -0.332 1.00 32.32 H new ATOM 1034 N GLY A 68 -7.708 1.752 0.958 1.00 11.22 N ATOM 1035 CA GLY A 68 -9.081 1.443 1.314 1.00 64.53 C ATOM 1036 C GLY A 68 -10.072 2.409 0.696 1.00 63.33 C ATOM 1037 O GLY A 68 -10.942 2.941 1.385 1.00 44.44 O ATOM 0 H GLY A 68 -7.205 0.997 0.492 1.00 11.22 H new ATOM 0 HA2 GLY A 68 -9.317 0.429 0.991 1.00 64.53 H new ATOM 0 HA3 GLY A 68 -9.185 1.465 2.399 1.00 64.53 H new ATOM 1041 N SER A 69 -9.940 2.637 -0.607 1.00 64.01 N ATOM 1042 CA SER A 69 -10.827 3.550 -1.317 1.00 14.30 C ATOM 1043 C SER A 69 -12.178 2.895 -1.587 1.00 34.33 C ATOM 1044 O SER A 69 -13.174 3.575 -1.828 1.00 13.51 O ATOM 1045 CB SER A 69 -10.190 3.993 -2.636 1.00 32.24 C ATOM 1046 OG SER A 69 -9.074 4.835 -2.405 1.00 53.43 O ATOM 0 H SER A 69 -9.227 2.202 -1.192 1.00 64.01 H new ATOM 0 HA SER A 69 -10.986 4.425 -0.687 1.00 14.30 H new ATOM 0 HB2 SER A 69 -9.877 3.117 -3.205 1.00 32.24 H new ATOM 0 HB3 SER A 69 -10.928 4.520 -3.241 1.00 32.24 H new ATOM 0 HG SER A 69 -8.446 4.387 -1.801 1.00 53.43 H new ATOM 1052 N GLY A 70 -12.204 1.566 -1.544 1.00 24.02 N ATOM 1053 CA GLY A 70 -13.436 0.839 -1.785 1.00 53.24 C ATOM 1054 C GLY A 70 -13.475 0.205 -3.162 1.00 13.23 C ATOM 1055 O GLY A 70 -14.343 -0.621 -3.450 1.00 5.55 O ATOM 0 H GLY A 70 -11.393 0.980 -1.346 1.00 24.02 H new ATOM 0 HA2 GLY A 70 -13.551 0.063 -1.028 1.00 53.24 H new ATOM 0 HA3 GLY A 70 -14.282 1.518 -1.677 1.00 53.24 H new ATOM 1059 N THR A 71 -12.534 0.592 -4.017 1.00 51.50 N ATOM 1060 CA THR A 71 -12.466 0.059 -5.372 1.00 22.15 C ATOM 1061 C THR A 71 -11.030 0.042 -5.884 1.00 53.02 C ATOM 1062 O THR A 71 -10.114 0.515 -5.211 1.00 34.31 O ATOM 1063 CB THR A 71 -13.336 0.879 -6.343 1.00 32.43 C ATOM 1064 OG1 THR A 71 -12.956 2.258 -6.296 1.00 43.32 O ATOM 1065 CG2 THR A 71 -14.811 0.742 -5.995 1.00 22.11 C ATOM 0 H THR A 71 -11.808 1.273 -3.795 1.00 51.50 H new ATOM 0 HA THR A 71 -12.846 -0.962 -5.330 1.00 22.15 H new ATOM 0 HB THR A 71 -13.179 0.494 -7.350 1.00 32.43 H new ATOM 0 HG1 THR A 71 -13.579 2.787 -6.837 1.00 43.32 H new ATOM 0 HG21 THR A 71 -15.406 1.330 -6.694 1.00 22.11 H new ATOM 0 HG22 THR A 71 -15.104 -0.306 -6.060 1.00 22.11 H new ATOM 0 HG23 THR A 71 -14.981 1.104 -4.981 1.00 22.11 H new ATOM 1073 N VAL A 72 -10.840 -0.505 -7.081 1.00 15.03 N ATOM 1074 CA VAL A 72 -9.516 -0.582 -7.685 1.00 3.42 C ATOM 1075 C VAL A 72 -9.289 0.569 -8.659 1.00 63.32 C ATOM 1076 O VAL A 72 -10.063 0.765 -9.596 1.00 34.52 O ATOM 1077 CB VAL A 72 -9.314 -1.916 -8.427 1.00 24.00 C ATOM 1078 CG1 VAL A 72 -8.299 -1.755 -9.549 1.00 21.14 C ATOM 1079 CG2 VAL A 72 -8.880 -3.004 -7.457 1.00 30.53 C ATOM 0 H VAL A 72 -11.587 -0.901 -7.651 1.00 15.03 H new ATOM 0 HA VAL A 72 -8.793 -0.514 -6.872 1.00 3.42 H new ATOM 0 HB VAL A 72 -10.265 -2.213 -8.870 1.00 24.00 H new ATOM 0 HG11 VAL A 72 -8.169 -2.708 -10.062 1.00 21.14 H new ATOM 0 HG12 VAL A 72 -8.655 -1.007 -10.257 1.00 21.14 H new ATOM 0 HG13 VAL A 72 -7.344 -1.434 -9.133 1.00 21.14 H new ATOM 0 HG21 VAL A 72 -8.742 -3.940 -7.998 1.00 30.53 H new ATOM 0 HG22 VAL A 72 -7.941 -2.716 -6.984 1.00 30.53 H new ATOM 0 HG23 VAL A 72 -9.646 -3.137 -6.693 1.00 30.53 H new ATOM 1089 N ASP A 73 -8.222 1.327 -8.433 1.00 25.44 N ATOM 1090 CA ASP A 73 -7.891 2.458 -9.292 1.00 24.35 C ATOM 1091 C ASP A 73 -6.850 2.062 -10.334 1.00 5.10 C ATOM 1092 O ASP A 73 -6.530 0.884 -10.491 1.00 70.53 O ATOM 1093 CB ASP A 73 -7.372 3.627 -8.453 1.00 54.55 C ATOM 1094 CG ASP A 73 -8.321 4.001 -7.331 1.00 60.33 C ATOM 1095 OD1 ASP A 73 -9.546 4.024 -7.573 1.00 12.43 O ATOM 1096 OD2 ASP A 73 -7.838 4.268 -6.211 1.00 52.23 O ATOM 0 H ASP A 73 -7.571 1.179 -7.662 1.00 25.44 H new ATOM 0 HA ASP A 73 -8.798 2.767 -9.811 1.00 24.35 H new ATOM 0 HB2 ASP A 73 -6.401 3.365 -8.032 1.00 54.55 H new ATOM 0 HB3 ASP A 73 -7.217 4.492 -9.097 1.00 54.55 H new ATOM 1101 N PHE A 74 -6.324 3.055 -11.045 1.00 34.43 N ATOM 1102 CA PHE A 74 -5.321 2.810 -12.074 1.00 3.31 C ATOM 1103 C PHE A 74 -3.995 2.383 -11.450 1.00 72.14 C ATOM 1104 O PHE A 74 -3.274 1.554 -12.006 1.00 32.20 O ATOM 1105 CB PHE A 74 -5.116 4.065 -12.925 1.00 2.43 C ATOM 1106 CG PHE A 74 -4.055 3.910 -13.977 1.00 34.21 C ATOM 1107 CD1 PHE A 74 -3.850 2.688 -14.597 1.00 72.11 C ATOM 1108 CD2 PHE A 74 -3.264 4.986 -14.346 1.00 71.53 C ATOM 1109 CE1 PHE A 74 -2.875 2.542 -15.565 1.00 64.01 C ATOM 1110 CE2 PHE A 74 -2.287 4.846 -15.314 1.00 71.30 C ATOM 1111 CZ PHE A 74 -2.093 3.622 -15.925 1.00 1.41 C ATOM 0 H PHE A 74 -6.576 4.036 -10.927 1.00 34.43 H new ATOM 0 HA PHE A 74 -5.680 2.002 -12.711 1.00 3.31 H new ATOM 0 HB2 PHE A 74 -6.058 4.325 -13.407 1.00 2.43 H new ATOM 0 HB3 PHE A 74 -4.851 4.897 -12.273 1.00 2.43 H new ATOM 0 HD1 PHE A 74 -4.459 1.840 -14.321 1.00 72.11 H new ATOM 0 HD2 PHE A 74 -3.412 5.945 -13.872 1.00 71.53 H new ATOM 0 HE1 PHE A 74 -2.724 1.584 -16.040 1.00 64.01 H new ATOM 0 HE2 PHE A 74 -1.676 5.692 -15.592 1.00 71.30 H new ATOM 0 HZ PHE A 74 -1.331 3.510 -16.683 1.00 1.41 H new ATOM 1121 N ASP A 75 -3.681 2.955 -10.294 1.00 1.15 N ATOM 1122 CA ASP A 75 -2.443 2.634 -9.593 1.00 62.00 C ATOM 1123 C ASP A 75 -2.508 1.235 -8.987 1.00 53.42 C ATOM 1124 O ASP A 75 -1.506 0.523 -8.938 1.00 73.03 O ATOM 1125 CB ASP A 75 -2.169 3.666 -8.497 1.00 73.44 C ATOM 1126 CG ASP A 75 -1.628 4.969 -9.051 1.00 61.24 C ATOM 1127 OD1 ASP A 75 -1.496 5.078 -10.288 1.00 72.12 O ATOM 1128 OD2 ASP A 75 -1.335 5.879 -8.248 1.00 40.21 O ATOM 0 H ASP A 75 -4.267 3.644 -9.822 1.00 1.15 H new ATOM 0 HA ASP A 75 -1.628 2.659 -10.317 1.00 62.00 H new ATOM 0 HB2 ASP A 75 -3.090 3.862 -7.949 1.00 73.44 H new ATOM 0 HB3 ASP A 75 -1.455 3.254 -7.784 1.00 73.44 H new ATOM 1133 N GLU A 76 -3.694 0.851 -8.526 1.00 73.53 N ATOM 1134 CA GLU A 76 -3.889 -0.462 -7.922 1.00 21.20 C ATOM 1135 C GLU A 76 -4.116 -1.526 -8.992 1.00 54.35 C ATOM 1136 O GLU A 76 -3.707 -2.676 -8.836 1.00 41.02 O ATOM 1137 CB GLU A 76 -5.075 -0.433 -6.956 1.00 55.13 C ATOM 1138 CG GLU A 76 -4.868 0.486 -5.764 1.00 44.23 C ATOM 1139 CD GLU A 76 -6.174 0.957 -5.156 1.00 32.24 C ATOM 1140 OE1 GLU A 76 -7.073 1.363 -5.922 1.00 62.32 O ATOM 1141 OE2 GLU A 76 -6.298 0.919 -3.914 1.00 13.43 O ATOM 0 H GLU A 76 -4.533 1.430 -8.559 1.00 73.53 H new ATOM 0 HA GLU A 76 -2.985 -0.716 -7.368 1.00 21.20 H new ATOM 0 HB2 GLU A 76 -5.966 -0.116 -7.498 1.00 55.13 H new ATOM 0 HB3 GLU A 76 -5.264 -1.444 -6.596 1.00 55.13 H new ATOM 0 HG2 GLU A 76 -4.286 -0.036 -5.005 1.00 44.23 H new ATOM 0 HG3 GLU A 76 -4.283 1.352 -6.075 1.00 44.23 H new ATOM 1148 N TRP A 77 -4.772 -1.132 -10.078 1.00 72.42 N ATOM 1149 CA TRP A 77 -5.055 -2.052 -11.175 1.00 12.52 C ATOM 1150 C TRP A 77 -3.774 -2.440 -11.904 1.00 23.54 C ATOM 1151 O TRP A 77 -3.562 -3.610 -12.227 1.00 30.12 O ATOM 1152 CB TRP A 77 -6.043 -1.418 -12.156 1.00 63.33 C ATOM 1153 CG TRP A 77 -6.510 -2.364 -13.221 1.00 53.53 C ATOM 1154 CD1 TRP A 77 -7.709 -3.017 -13.269 1.00 2.42 C ATOM 1155 CD2 TRP A 77 -5.787 -2.763 -14.391 1.00 11.53 C ATOM 1156 NE1 TRP A 77 -7.774 -3.798 -14.397 1.00 52.44 N ATOM 1157 CE2 TRP A 77 -6.608 -3.659 -15.103 1.00 13.42 C ATOM 1158 CE3 TRP A 77 -4.527 -2.449 -14.907 1.00 10.42 C ATOM 1159 CZ2 TRP A 77 -6.208 -4.243 -16.301 1.00 44.04 C ATOM 1160 CZ3 TRP A 77 -4.131 -3.030 -16.096 1.00 43.43 C ATOM 1161 CH2 TRP A 77 -4.969 -3.918 -16.783 1.00 42.14 C ATOM 0 H TRP A 77 -5.118 -0.183 -10.223 1.00 72.42 H new ATOM 0 HA TRP A 77 -5.499 -2.955 -10.755 1.00 12.52 H new ATOM 0 HB2 TRP A 77 -6.907 -1.049 -11.603 1.00 63.33 H new ATOM 0 HB3 TRP A 77 -5.573 -0.555 -12.627 1.00 63.33 H new ATOM 0 HD1 TRP A 77 -8.491 -2.932 -12.529 1.00 2.42 H new ATOM 0 HE1 TRP A 77 -8.563 -4.386 -14.666 1.00 52.44 H new ATOM 0 HE3 TRP A 77 -3.874 -1.764 -14.386 1.00 10.42 H new ATOM 0 HZ2 TRP A 77 -6.852 -4.928 -16.832 1.00 44.04 H new ATOM 0 HZ3 TRP A 77 -3.159 -2.796 -16.503 1.00 43.43 H new ATOM 0 HH2 TRP A 77 -4.631 -4.355 -17.711 1.00 42.14 H new ATOM 1172 N LEU A 78 -2.921 -1.454 -12.160 1.00 34.33 N ATOM 1173 CA LEU A 78 -1.659 -1.694 -12.851 1.00 32.02 C ATOM 1174 C LEU A 78 -0.755 -2.609 -12.031 1.00 42.12 C ATOM 1175 O LEU A 78 -0.227 -3.597 -12.542 1.00 2.14 O ATOM 1176 CB LEU A 78 -0.947 -0.369 -13.128 1.00 0.12 C ATOM 1177 CG LEU A 78 -0.132 -0.302 -14.420 1.00 21.22 C ATOM 1178 CD1 LEU A 78 0.472 1.082 -14.599 1.00 54.13 C ATOM 1179 CD2 LEU A 78 0.957 -1.365 -14.419 1.00 3.23 C ATOM 0 H LEU A 78 -3.080 -0.481 -11.899 1.00 34.33 H new ATOM 0 HA LEU A 78 -1.879 -2.186 -13.798 1.00 32.02 H new ATOM 0 HB2 LEU A 78 -1.695 0.424 -13.152 1.00 0.12 H new ATOM 0 HB3 LEU A 78 -0.282 -0.155 -12.291 1.00 0.12 H new ATOM 0 HG LEU A 78 -0.800 -0.495 -15.259 1.00 21.22 H new ATOM 0 HD11 LEU A 78 1.048 1.111 -15.524 1.00 54.13 H new ATOM 0 HD12 LEU A 78 -0.325 1.824 -14.645 1.00 54.13 H new ATOM 0 HD13 LEU A 78 1.127 1.305 -13.756 1.00 54.13 H new ATOM 0 HD21 LEU A 78 1.527 -1.303 -15.346 1.00 3.23 H new ATOM 0 HD22 LEU A 78 1.623 -1.203 -13.572 1.00 3.23 H new ATOM 0 HD23 LEU A 78 0.502 -2.352 -14.339 1.00 3.23 H new ATOM 1191 N VAL A 79 -0.582 -2.274 -10.756 1.00 70.13 N ATOM 1192 CA VAL A 79 0.256 -3.067 -9.865 1.00 34.15 C ATOM 1193 C VAL A 79 -0.285 -4.485 -9.719 1.00 32.02 C ATOM 1194 O VAL A 79 0.474 -5.432 -9.515 1.00 42.24 O ATOM 1195 CB VAL A 79 0.357 -2.422 -8.469 1.00 65.44 C ATOM 1196 CG1 VAL A 79 1.013 -1.053 -8.560 1.00 52.35 C ATOM 1197 CG2 VAL A 79 -1.018 -2.323 -7.827 1.00 40.23 C ATOM 0 H VAL A 79 -1.011 -1.459 -10.318 1.00 70.13 H new ATOM 0 HA VAL A 79 1.249 -3.104 -10.313 1.00 34.15 H new ATOM 0 HB VAL A 79 0.981 -3.056 -7.839 1.00 65.44 H new ATOM 0 HG11 VAL A 79 1.076 -0.613 -7.565 1.00 52.35 H new ATOM 0 HG12 VAL A 79 2.016 -1.157 -8.975 1.00 52.35 H new ATOM 0 HG13 VAL A 79 0.418 -0.407 -9.206 1.00 52.35 H new ATOM 0 HG21 VAL A 79 -0.928 -1.865 -6.842 1.00 40.23 H new ATOM 0 HG22 VAL A 79 -1.669 -1.712 -8.453 1.00 40.23 H new ATOM 0 HG23 VAL A 79 -1.445 -3.321 -7.726 1.00 40.23 H new ATOM 1207 N MET A 80 -1.603 -4.624 -9.825 1.00 4.31 N ATOM 1208 CA MET A 80 -2.245 -5.927 -9.707 1.00 34.44 C ATOM 1209 C MET A 80 -1.591 -6.943 -10.639 1.00 14.44 C ATOM 1210 O MET A 80 -1.369 -8.092 -10.261 1.00 25.35 O ATOM 1211 CB MET A 80 -3.738 -5.815 -10.023 1.00 41.41 C ATOM 1212 CG MET A 80 -4.515 -7.093 -9.753 1.00 64.15 C ATOM 1213 SD MET A 80 -5.876 -7.336 -10.910 1.00 51.25 S ATOM 1214 CE MET A 80 -6.501 -5.663 -11.054 1.00 20.44 C ATOM 0 H MET A 80 -2.246 -3.850 -9.992 1.00 4.31 H new ATOM 0 HA MET A 80 -2.123 -6.272 -8.680 1.00 34.44 H new ATOM 0 HB2 MET A 80 -4.167 -5.007 -9.430 1.00 41.41 H new ATOM 0 HB3 MET A 80 -3.859 -5.540 -11.071 1.00 41.41 H new ATOM 0 HG2 MET A 80 -3.837 -7.945 -9.811 1.00 64.15 H new ATOM 0 HG3 MET A 80 -4.908 -7.067 -8.737 1.00 64.15 H new ATOM 0 HE1 MET A 80 -7.551 -5.691 -11.345 1.00 20.44 H new ATOM 0 HE2 MET A 80 -6.403 -5.154 -10.095 1.00 20.44 H new ATOM 0 HE3 MET A 80 -5.929 -5.125 -11.810 1.00 20.44 H new ATOM 1224 N MET A 81 -1.287 -6.510 -11.858 1.00 2.34 N ATOM 1225 CA MET A 81 -0.657 -7.382 -12.843 1.00 13.44 C ATOM 1226 C MET A 81 0.763 -7.743 -12.420 1.00 1.00 C ATOM 1227 O MET A 81 1.174 -8.899 -12.516 1.00 50.01 O ATOM 1228 CB MET A 81 -0.637 -6.705 -14.215 1.00 31.42 C ATOM 1229 CG MET A 81 -0.771 -7.679 -15.374 1.00 74.23 C ATOM 1230 SD MET A 81 -2.471 -8.225 -15.630 1.00 23.14 S ATOM 1231 CE MET A 81 -3.268 -6.672 -16.031 1.00 34.42 C ATOM 0 H MET A 81 -1.466 -5.561 -12.187 1.00 2.34 H new ATOM 0 HA MET A 81 -1.242 -8.300 -12.907 1.00 13.44 H new ATOM 0 HB2 MET A 81 -1.449 -5.979 -14.265 1.00 31.42 H new ATOM 0 HB3 MET A 81 0.294 -6.149 -14.324 1.00 31.42 H new ATOM 0 HG2 MET A 81 -0.404 -7.206 -16.285 1.00 74.23 H new ATOM 0 HG3 MET A 81 -0.139 -8.547 -15.189 1.00 74.23 H new ATOM 0 HE1 MET A 81 -4.129 -6.860 -16.672 1.00 34.42 H new ATOM 0 HE2 MET A 81 -3.598 -6.185 -15.113 1.00 34.42 H new ATOM 0 HE3 MET A 81 -2.562 -6.025 -16.552 1.00 34.42 H new ATOM 1241 N ALA A 82 1.508 -6.747 -11.952 1.00 41.23 N ATOM 1242 CA ALA A 82 2.882 -6.961 -11.514 1.00 14.23 C ATOM 1243 C ALA A 82 2.948 -8.011 -10.410 1.00 0.32 C ATOM 1244 O ALA A 82 3.949 -8.714 -10.268 1.00 53.32 O ATOM 1245 CB ALA A 82 3.494 -5.652 -11.037 1.00 55.32 C ATOM 0 H ALA A 82 1.183 -5.784 -11.866 1.00 41.23 H new ATOM 0 HA ALA A 82 3.456 -7.329 -12.365 1.00 14.23 H new ATOM 0 HB1 ALA A 82 4.520 -5.827 -10.713 1.00 55.32 H new ATOM 0 HB2 ALA A 82 3.489 -4.929 -11.853 1.00 55.32 H new ATOM 0 HB3 ALA A 82 2.912 -5.261 -10.203 1.00 55.32 H new ATOM 1251 N ARG A 83 1.877 -8.111 -9.630 1.00 12.04 N ATOM 1252 CA ARG A 83 1.815 -9.074 -8.537 1.00 31.11 C ATOM 1253 C ARG A 83 1.895 -10.503 -9.066 1.00 45.13 C ATOM 1254 O ARG A 83 2.303 -11.419 -8.351 1.00 4.54 O ATOM 1255 CB ARG A 83 0.524 -8.887 -7.737 1.00 25.43 C ATOM 1256 CG ARG A 83 0.327 -9.929 -6.648 1.00 20.14 C ATOM 1257 CD ARG A 83 -1.029 -9.781 -5.975 1.00 24.44 C ATOM 1258 NE ARG A 83 -0.920 -9.785 -4.518 1.00 41.42 N ATOM 1259 CZ ARG A 83 -0.564 -8.722 -3.805 1.00 53.45 C ATOM 1260 NH1 ARG A 83 -0.285 -7.576 -4.412 1.00 20.03 N ATOM 1261 NH2 ARG A 83 -0.488 -8.803 -2.483 1.00 60.13 N ATOM 0 H ARG A 83 1.040 -7.537 -9.734 1.00 12.04 H new ATOM 0 HA ARG A 83 2.669 -8.899 -7.883 1.00 31.11 H new ATOM 0 HB2 ARG A 83 0.528 -7.896 -7.284 1.00 25.43 H new ATOM 0 HB3 ARG A 83 -0.325 -8.922 -8.420 1.00 25.43 H new ATOM 0 HG2 ARG A 83 0.414 -10.927 -7.078 1.00 20.14 H new ATOM 0 HG3 ARG A 83 1.117 -9.832 -5.903 1.00 20.14 H new ATOM 0 HD2 ARG A 83 -1.496 -8.852 -6.301 1.00 24.44 H new ATOM 0 HD3 ARG A 83 -1.682 -10.594 -6.292 1.00 24.44 H new ATOM 0 HE ARG A 83 -1.129 -10.651 -4.021 1.00 41.42 H new ATOM 0 HH11 ARG A 83 -0.344 -7.510 -5.428 1.00 20.03 H new ATOM 0 HH12 ARG A 83 -0.012 -6.761 -3.863 1.00 20.03 H new ATOM 0 HH21 ARG A 83 -0.703 -9.682 -2.013 1.00 60.13 H new ATOM 0 HH22 ARG A 83 -0.215 -7.986 -1.937 1.00 60.13 H new ATOM 1275 N CYS A 84 1.504 -10.686 -10.322 1.00 51.33 N ATOM 1276 CA CYS A 84 1.531 -12.003 -10.947 1.00 74.35 C ATOM 1277 C CYS A 84 2.965 -12.463 -11.185 1.00 62.34 C ATOM 1278 O CYS A 84 3.233 -13.659 -11.300 1.00 40.13 O ATOM 1279 CB CYS A 84 0.764 -11.979 -12.271 1.00 0.43 C ATOM 1280 SG CYS A 84 0.295 -13.614 -12.883 1.00 65.10 S ATOM 0 H CYS A 84 1.164 -9.939 -10.928 1.00 51.33 H new ATOM 0 HA CYS A 84 1.050 -12.709 -10.270 1.00 74.35 H new ATOM 0 HB2 CYS A 84 -0.137 -11.378 -12.146 1.00 0.43 H new ATOM 0 HB3 CYS A 84 1.376 -11.483 -13.024 1.00 0.43 H new ATOM 0 HG CYS A 84 -0.350 -13.489 -14.005 1.00 65.10 H new ATOM 1286 N MET A 85 3.883 -11.505 -11.260 1.00 25.53 N ATOM 1287 CA MET A 85 5.291 -11.813 -11.485 1.00 2.33 C ATOM 1288 C MET A 85 5.952 -12.304 -10.201 1.00 5.42 C ATOM 1289 O MET A 85 6.834 -13.162 -10.233 1.00 61.42 O ATOM 1290 CB MET A 85 6.027 -10.579 -12.012 1.00 33.04 C ATOM 1291 CG MET A 85 5.552 -10.128 -13.383 1.00 70.35 C ATOM 1292 SD MET A 85 6.207 -11.151 -14.716 1.00 20.31 S ATOM 1293 CE MET A 85 6.860 -9.898 -15.816 1.00 14.51 C ATOM 0 H MET A 85 3.678 -10.510 -11.168 1.00 25.53 H new ATOM 0 HA MET A 85 5.349 -12.607 -12.229 1.00 2.33 H new ATOM 0 HB2 MET A 85 5.899 -9.760 -11.304 1.00 33.04 H new ATOM 0 HB3 MET A 85 7.094 -10.795 -12.059 1.00 33.04 H new ATOM 0 HG2 MET A 85 4.463 -10.153 -13.412 1.00 70.35 H new ATOM 0 HG3 MET A 85 5.851 -9.092 -13.544 1.00 70.35 H new ATOM 0 HE1 MET A 85 7.300 -10.376 -16.691 1.00 14.51 H new ATOM 0 HE2 MET A 85 6.054 -9.235 -16.131 1.00 14.51 H new ATOM 0 HE3 MET A 85 7.623 -9.319 -15.296 1.00 14.51 H new