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 -95:sc= 1.24 USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= -0.152 USER MOD Single : A 6 LYS NZ :NH3+ -158:sc= -0.0478 (180deg=-0.297) USER MOD Single : A 11 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.26) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0901 USER MOD Single : A 16 GLN : amide:sc= -0.419 K(o=-0.42,f=-4.6!) USER MOD Single : A 17 LYS NZ :NH3+ -155:sc= -0.103 (180deg=-0.479) USER MOD Single : A 18 ASN : amide:sc= -0.0867 K(o=-0.087,f=-0.69) USER MOD Single : A 21 LYS NZ :NH3+ -164:sc= -0.0508 (180deg=-0.346) USER MOD Single : A 35 CYS SG : rot -1:sc= -0.0149 USER MOD Single : A 37 SER OG : rot 180:sc= -0.0314 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.991 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 176:sc= -2.85 (180deg=-3.08) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.291 X(o=-0.29,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.517 K(o=-0.52,f=-4.4!) USER MOD Single : A 53 THR OG1 : rot -170:sc= -0.729 USER MOD Single : A 58 GLN : amide:sc= -0.364 X(o=-0.36,f=-0.027) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -160:sc= -0.357 (180deg=-1.67) USER MOD Single : A 81 MET CE :methyl 136:sc= -1.17 (180deg=-2.06) 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 7.098 -4.305 -6.128 1.00 51.22 N ATOM 62 CA TYR A 5 6.249 -4.410 -7.309 1.00 15.33 C ATOM 63 C TYR A 5 6.421 -3.194 -8.214 1.00 12.44 C ATOM 64 O TYR A 5 6.496 -3.320 -9.436 1.00 53.51 O ATOM 65 CB TYR A 5 4.782 -4.549 -6.897 1.00 20.22 C ATOM 66 CG TYR A 5 4.475 -5.845 -6.181 1.00 73.11 C ATOM 67 CD1 TYR A 5 5.014 -7.048 -6.619 1.00 21.34 C ATOM 68 CD2 TYR A 5 3.645 -5.866 -5.066 1.00 43.14 C ATOM 69 CE1 TYR A 5 4.735 -8.235 -5.968 1.00 43.41 C ATOM 70 CE2 TYR A 5 3.362 -7.047 -4.409 1.00 22.43 C ATOM 71 CZ TYR A 5 3.909 -8.229 -4.864 1.00 21.04 C ATOM 72 OH TYR A 5 3.630 -9.409 -4.212 1.00 41.50 O ATOM 0 HA TYR A 5 6.550 -5.299 -7.864 1.00 15.33 H new ATOM 0 HB2 TYR A 5 4.514 -3.714 -6.250 1.00 20.22 H new ATOM 0 HB3 TYR A 5 4.155 -4.477 -7.786 1.00 20.22 H new ATOM 0 HD1 TYR A 5 5.662 -7.056 -7.483 1.00 21.34 H new ATOM 0 HD2 TYR A 5 3.214 -4.943 -4.708 1.00 43.14 H new ATOM 0 HE1 TYR A 5 5.162 -9.162 -6.322 1.00 43.41 H new ATOM 0 HE2 TYR A 5 2.716 -7.045 -3.544 1.00 22.43 H new ATOM 0 HH TYR A 5 3.034 -9.231 -3.455 1.00 41.50 H new ATOM 82 N LYS A 6 6.484 -2.015 -7.604 1.00 13.23 N ATOM 83 CA LYS A 6 6.649 -0.774 -8.351 1.00 42.12 C ATOM 84 C LYS A 6 8.019 -0.720 -9.021 1.00 32.55 C ATOM 85 O LYS A 6 8.200 -0.042 -10.031 1.00 1.10 O ATOM 86 CB LYS A 6 6.475 0.431 -7.424 1.00 45.21 C ATOM 87 CG LYS A 6 7.732 0.788 -6.648 1.00 73.14 C ATOM 88 CD LYS A 6 8.551 1.845 -7.370 1.00 24.52 C ATOM 89 CE LYS A 6 9.191 2.818 -6.392 1.00 31.25 C ATOM 90 NZ LYS A 6 8.177 3.679 -5.723 1.00 54.20 N ATOM 0 H LYS A 6 6.423 -1.893 -6.593 1.00 13.23 H new ATOM 0 HA LYS A 6 5.883 -0.742 -9.126 1.00 42.12 H new ATOM 0 HB2 LYS A 6 6.166 1.293 -8.016 1.00 45.21 H new ATOM 0 HB3 LYS A 6 5.670 0.224 -6.719 1.00 45.21 H new ATOM 0 HG2 LYS A 6 7.458 1.152 -5.658 1.00 73.14 H new ATOM 0 HG3 LYS A 6 8.338 -0.107 -6.503 1.00 73.14 H new ATOM 0 HD2 LYS A 6 9.326 1.362 -7.965 1.00 24.52 H new ATOM 0 HD3 LYS A 6 7.912 2.392 -8.063 1.00 24.52 H new ATOM 0 HE2 LYS A 6 9.749 2.262 -5.639 1.00 31.25 H new ATOM 0 HE3 LYS A 6 9.908 3.446 -6.921 1.00 31.25 H new ATOM 0 HZ1 LYS A 6 8.634 4.544 -5.370 1.00 54.20 H new ATOM 0 HZ2 LYS A 6 7.434 3.934 -6.405 1.00 54.20 H new ATOM 0 HZ3 LYS A 6 7.753 3.162 -4.927 1.00 54.20 H new ATOM 104 N ALA A 7 8.979 -1.441 -8.451 1.00 62.41 N ATOM 105 CA ALA A 7 10.331 -1.478 -8.995 1.00 70.40 C ATOM 106 C ALA A 7 10.362 -2.195 -10.341 1.00 32.03 C ATOM 107 O ALA A 7 11.065 -1.778 -11.261 1.00 12.13 O ATOM 108 CB ALA A 7 11.277 -2.154 -8.013 1.00 74.32 C ATOM 0 H ALA A 7 8.846 -2.007 -7.613 1.00 62.41 H new ATOM 0 HA ALA A 7 10.661 -0.451 -9.152 1.00 70.40 H new ATOM 0 HB1 ALA A 7 12.283 -2.175 -8.432 1.00 74.32 H new ATOM 0 HB2 ALA A 7 11.286 -1.598 -7.075 1.00 74.32 H new ATOM 0 HB3 ALA A 7 10.940 -3.174 -7.827 1.00 74.32 H new ATOM 114 N ALA A 8 9.596 -3.276 -10.448 1.00 52.31 N ATOM 115 CA ALA A 8 9.535 -4.049 -11.682 1.00 72.30 C ATOM 116 C ALA A 8 8.600 -3.396 -12.694 1.00 43.52 C ATOM 117 O ALA A 8 8.859 -3.417 -13.898 1.00 22.04 O ATOM 118 CB ALA A 8 9.087 -5.474 -11.390 1.00 54.33 C ATOM 0 H ALA A 8 9.009 -3.636 -9.695 1.00 52.31 H new ATOM 0 HA ALA A 8 10.535 -4.075 -12.115 1.00 72.30 H new ATOM 0 HB1 ALA A 8 9.046 -6.040 -12.320 1.00 54.33 H new ATOM 0 HB2 ALA A 8 9.795 -5.946 -10.709 1.00 54.33 H new ATOM 0 HB3 ALA A 8 8.098 -5.458 -10.931 1.00 54.33 H new ATOM 124 N VAL A 9 7.512 -2.815 -12.199 1.00 52.00 N ATOM 125 CA VAL A 9 6.539 -2.154 -13.061 1.00 35.55 C ATOM 126 C VAL A 9 7.094 -0.849 -13.617 1.00 43.43 C ATOM 127 O VAL A 9 6.731 -0.426 -14.715 1.00 23.54 O ATOM 128 CB VAL A 9 5.228 -1.862 -12.306 1.00 3.44 C ATOM 129 CG1 VAL A 9 5.312 -0.522 -11.590 1.00 23.12 C ATOM 130 CG2 VAL A 9 4.045 -1.891 -13.261 1.00 61.53 C ATOM 0 H VAL A 9 7.282 -2.789 -11.206 1.00 52.00 H new ATOM 0 HA VAL A 9 6.331 -2.836 -13.885 1.00 35.55 H new ATOM 0 HB VAL A 9 5.080 -2.640 -11.557 1.00 3.44 H new ATOM 0 HG11 VAL A 9 4.377 -0.332 -11.062 1.00 23.12 H new ATOM 0 HG12 VAL A 9 6.135 -0.542 -10.875 1.00 23.12 H new ATOM 0 HG13 VAL A 9 5.484 0.270 -12.319 1.00 23.12 H new ATOM 0 HG21 VAL A 9 3.128 -1.683 -12.710 1.00 61.53 H new ATOM 0 HG22 VAL A 9 4.183 -1.136 -14.035 1.00 61.53 H new ATOM 0 HG23 VAL A 9 3.975 -2.875 -13.724 1.00 61.53 H new ATOM 140 N GLU A 10 7.977 -0.214 -12.853 1.00 4.13 N ATOM 141 CA GLU A 10 8.583 1.045 -13.270 1.00 41.04 C ATOM 142 C GLU A 10 9.590 0.818 -14.394 1.00 71.25 C ATOM 143 O GLU A 10 9.802 1.690 -15.237 1.00 34.33 O ATOM 144 CB GLU A 10 9.271 1.724 -12.084 1.00 62.13 C ATOM 145 CG GLU A 10 8.336 2.581 -11.248 1.00 4.33 C ATOM 146 CD GLU A 10 8.698 4.053 -11.292 1.00 43.22 C ATOM 147 OE1 GLU A 10 9.145 4.521 -12.360 1.00 44.52 O ATOM 148 OE2 GLU A 10 8.535 4.736 -10.260 1.00 10.41 O ATOM 0 H GLU A 10 8.289 -0.551 -11.942 1.00 4.13 H new ATOM 0 HA GLU A 10 7.790 1.694 -13.641 1.00 41.04 H new ATOM 0 HB2 GLU A 10 9.717 0.960 -11.447 1.00 62.13 H new ATOM 0 HB3 GLU A 10 10.086 2.346 -12.455 1.00 62.13 H new ATOM 0 HG2 GLU A 10 7.314 2.451 -11.604 1.00 4.33 H new ATOM 0 HG3 GLU A 10 8.359 2.236 -10.214 1.00 4.33 H new ATOM 155 N GLN A 11 10.207 -0.359 -14.399 1.00 62.30 N ATOM 156 CA GLN A 11 11.192 -0.701 -15.418 1.00 45.42 C ATOM 157 C GLN A 11 10.521 -1.321 -16.639 1.00 34.03 C ATOM 158 O GLN A 11 11.190 -1.853 -17.526 1.00 13.23 O ATOM 159 CB GLN A 11 12.233 -1.666 -14.848 1.00 62.14 C ATOM 160 CG GLN A 11 11.636 -2.954 -14.306 1.00 74.43 C ATOM 161 CD GLN A 11 12.692 -3.940 -13.848 1.00 61.43 C ATOM 162 OE1 GLN A 11 13.678 -3.562 -13.214 1.00 74.15 O ATOM 163 NE2 GLN A 11 12.492 -5.214 -14.167 1.00 52.23 N ATOM 0 H GLN A 11 10.042 -1.092 -13.709 1.00 62.30 H new ATOM 0 HA GLN A 11 11.690 0.218 -15.728 1.00 45.42 H new ATOM 0 HB2 GLN A 11 12.955 -1.910 -15.627 1.00 62.14 H new ATOM 0 HB3 GLN A 11 12.782 -1.166 -14.050 1.00 62.14 H new ATOM 0 HG2 GLN A 11 10.976 -2.720 -13.471 1.00 74.43 H new ATOM 0 HG3 GLN A 11 11.022 -3.418 -15.078 1.00 74.43 H new ATOM 0 HE21 GLN A 11 11.661 -5.484 -14.694 1.00 52.23 H new ATOM 0 HE22 GLN A 11 13.169 -5.923 -13.885 1.00 52.23 H new ATOM 172 N LEU A 12 9.195 -1.250 -16.678 1.00 34.12 N ATOM 173 CA LEU A 12 8.431 -1.805 -17.790 1.00 22.30 C ATOM 174 C LEU A 12 8.619 -0.968 -19.051 1.00 63.22 C ATOM 175 O LEU A 12 9.322 0.043 -19.040 1.00 15.43 O ATOM 176 CB LEU A 12 6.946 -1.878 -17.429 1.00 64.02 C ATOM 177 CG LEU A 12 6.531 -3.041 -16.528 1.00 20.05 C ATOM 178 CD1 LEU A 12 5.069 -2.913 -16.130 1.00 53.53 C ATOM 179 CD2 LEU A 12 6.782 -4.371 -17.223 1.00 73.02 C ATOM 0 H LEU A 12 8.626 -0.814 -15.952 1.00 34.12 H new ATOM 0 HA LEU A 12 8.801 -2.812 -17.986 1.00 22.30 H new ATOM 0 HB2 LEU A 12 6.666 -0.946 -16.938 1.00 64.02 H new ATOM 0 HB3 LEU A 12 6.371 -1.937 -18.353 1.00 64.02 H new ATOM 0 HG LEU A 12 7.137 -3.007 -15.623 1.00 20.05 H new ATOM 0 HD11 LEU A 12 4.792 -3.750 -15.489 1.00 53.53 H new ATOM 0 HD12 LEU A 12 4.919 -1.978 -15.591 1.00 53.53 H new ATOM 0 HD13 LEU A 12 4.446 -2.920 -17.025 1.00 53.53 H new ATOM 0 HD21 LEU A 12 6.481 -5.187 -16.566 1.00 73.02 H new ATOM 0 HD22 LEU A 12 6.203 -4.415 -18.145 1.00 73.02 H new ATOM 0 HD23 LEU A 12 7.843 -4.465 -17.456 1.00 73.02 H new ATOM 191 N THR A 13 7.985 -1.395 -20.139 1.00 22.31 N ATOM 192 CA THR A 13 8.081 -0.685 -21.408 1.00 25.30 C ATOM 193 C THR A 13 6.934 0.304 -21.573 1.00 15.00 C ATOM 194 O THR A 13 5.880 0.155 -20.954 1.00 65.33 O ATOM 195 CB THR A 13 8.078 -1.661 -22.600 1.00 21.55 C ATOM 196 OG1 THR A 13 8.072 -0.931 -23.831 1.00 73.12 O ATOM 197 CG2 THR A 13 6.867 -2.581 -22.543 1.00 2.53 C ATOM 0 H THR A 13 7.399 -2.230 -20.166 1.00 22.31 H new ATOM 0 HA THR A 13 9.026 -0.142 -21.395 1.00 25.30 H new ATOM 0 HB THR A 13 8.980 -2.270 -22.545 1.00 21.55 H new ATOM 0 HG1 THR A 13 8.072 -1.559 -24.584 1.00 73.12 H new ATOM 0 HG21 THR A 13 6.886 -3.261 -23.395 1.00 2.53 H new ATOM 0 HG22 THR A 13 6.891 -3.157 -21.618 1.00 2.53 H new ATOM 0 HG23 THR A 13 5.955 -1.985 -22.576 1.00 2.53 H new ATOM 205 N GLU A 14 7.144 1.314 -22.412 1.00 24.34 N ATOM 206 CA GLU A 14 6.126 2.328 -22.657 1.00 35.41 C ATOM 207 C GLU A 14 4.810 1.684 -23.087 1.00 2.43 C ATOM 208 O GLU A 14 3.731 2.153 -22.725 1.00 25.34 O ATOM 209 CB GLU A 14 6.600 3.310 -23.730 1.00 11.24 C ATOM 210 CG GLU A 14 7.840 4.093 -23.332 1.00 63.35 C ATOM 211 CD GLU A 14 8.386 4.937 -24.468 1.00 14.33 C ATOM 212 OE1 GLU A 14 8.528 4.405 -25.588 1.00 43.23 O ATOM 213 OE2 GLU A 14 8.669 6.131 -24.235 1.00 3.11 O ATOM 0 H GLU A 14 8.010 1.451 -22.933 1.00 24.34 H new ATOM 0 HA GLU A 14 5.959 2.871 -21.727 1.00 35.41 H new ATOM 0 HB2 GLU A 14 6.807 2.760 -24.648 1.00 11.24 H new ATOM 0 HB3 GLU A 14 5.794 4.010 -23.952 1.00 11.24 H new ATOM 0 HG2 GLU A 14 7.602 4.738 -22.487 1.00 63.35 H new ATOM 0 HG3 GLU A 14 8.611 3.399 -22.996 1.00 63.35 H new ATOM 220 N GLU A 15 4.910 0.609 -23.862 1.00 34.23 N ATOM 221 CA GLU A 15 3.728 -0.098 -24.342 1.00 51.30 C ATOM 222 C GLU A 15 2.958 -0.722 -23.182 1.00 11.43 C ATOM 223 O GLU A 15 1.727 -0.731 -23.175 1.00 3.05 O ATOM 224 CB GLU A 15 4.127 -1.182 -25.345 1.00 42.11 C ATOM 225 CG GLU A 15 4.481 -0.639 -26.719 1.00 61.15 C ATOM 226 CD GLU A 15 5.938 -0.231 -26.828 1.00 74.54 C ATOM 227 OE1 GLU A 15 6.808 -1.127 -26.790 1.00 51.53 O ATOM 228 OE2 GLU A 15 6.207 0.981 -26.951 1.00 43.54 O ATOM 0 H GLU A 15 5.796 0.209 -24.171 1.00 34.23 H new ATOM 0 HA GLU A 15 3.081 0.625 -24.838 1.00 51.30 H new ATOM 0 HB2 GLU A 15 4.980 -1.734 -24.951 1.00 42.11 H new ATOM 0 HB3 GLU A 15 3.307 -1.893 -25.445 1.00 42.11 H new ATOM 0 HG2 GLU A 15 4.262 -1.396 -27.472 1.00 61.15 H new ATOM 0 HG3 GLU A 15 3.849 0.221 -26.939 1.00 61.15 H new ATOM 235 N GLN A 16 3.692 -1.242 -22.204 1.00 3.13 N ATOM 236 CA GLN A 16 3.079 -1.869 -21.039 1.00 74.11 C ATOM 237 C GLN A 16 2.230 -0.866 -20.264 1.00 43.04 C ATOM 238 O GLN A 16 1.026 -1.056 -20.094 1.00 12.21 O ATOM 239 CB GLN A 16 4.154 -2.459 -20.125 1.00 41.21 C ATOM 240 CG GLN A 16 4.545 -3.883 -20.486 1.00 11.04 C ATOM 241 CD GLN A 16 3.739 -4.919 -19.727 1.00 61.00 C ATOM 242 OE1 GLN A 16 4.040 -5.235 -18.575 1.00 55.34 O ATOM 243 NE2 GLN A 16 2.708 -5.455 -20.370 1.00 41.41 N ATOM 0 H GLN A 16 4.712 -1.242 -22.195 1.00 3.13 H new ATOM 0 HA GLN A 16 2.431 -2.672 -21.390 1.00 74.11 H new ATOM 0 HB2 GLN A 16 5.041 -1.826 -20.165 1.00 41.21 H new ATOM 0 HB3 GLN A 16 3.795 -2.439 -19.096 1.00 41.21 H new ATOM 0 HG2 GLN A 16 4.407 -4.033 -21.557 1.00 11.04 H new ATOM 0 HG3 GLN A 16 5.605 -4.029 -20.278 1.00 11.04 H new ATOM 0 HE21 GLN A 16 2.495 -5.164 -21.324 1.00 41.41 H new ATOM 0 HE22 GLN A 16 2.130 -6.158 -19.910 1.00 41.41 H new ATOM 252 N LYS A 17 2.866 0.203 -19.796 1.00 65.53 N ATOM 253 CA LYS A 17 2.171 1.237 -19.040 1.00 42.20 C ATOM 254 C LYS A 17 0.969 1.764 -19.817 1.00 10.00 C ATOM 255 O LYS A 17 -0.083 2.038 -19.240 1.00 44.14 O ATOM 256 CB LYS A 17 3.126 2.388 -18.715 1.00 13.25 C ATOM 257 CG LYS A 17 4.376 1.950 -17.972 1.00 10.14 C ATOM 258 CD LYS A 17 4.053 1.485 -16.562 1.00 34.32 C ATOM 259 CE LYS A 17 4.083 2.640 -15.573 1.00 13.01 C ATOM 260 NZ LYS A 17 5.454 3.199 -15.414 1.00 31.40 N ATOM 0 H LYS A 17 3.863 0.375 -19.928 1.00 65.53 H new ATOM 0 HA LYS A 17 1.814 0.795 -18.110 1.00 42.20 H new ATOM 0 HB2 LYS A 17 3.419 2.879 -19.643 1.00 13.25 H new ATOM 0 HB3 LYS A 17 2.598 3.129 -18.115 1.00 13.25 H new ATOM 0 HG2 LYS A 17 4.862 1.143 -18.520 1.00 10.14 H new ATOM 0 HG3 LYS A 17 5.084 2.778 -17.930 1.00 10.14 H new ATOM 0 HD2 LYS A 17 3.068 1.019 -16.548 1.00 34.32 H new ATOM 0 HD3 LYS A 17 4.770 0.724 -16.256 1.00 34.32 H new ATOM 0 HE2 LYS A 17 3.408 3.426 -15.912 1.00 13.01 H new ATOM 0 HE3 LYS A 17 3.715 2.299 -14.605 1.00 13.01 H new ATOM 0 HZ1 LYS A 17 5.537 3.656 -14.483 1.00 31.40 H new ATOM 0 HZ2 LYS A 17 6.152 2.432 -15.486 1.00 31.40 H new ATOM 0 HZ3 LYS A 17 5.632 3.900 -16.161 1.00 31.40 H new ATOM 274 N ASN A 18 1.132 1.902 -21.129 1.00 20.22 N ATOM 275 CA ASN A 18 0.059 2.395 -21.985 1.00 22.12 C ATOM 276 C ASN A 18 -1.092 1.396 -22.044 1.00 71.55 C ATOM 277 O ASN A 18 -2.256 1.781 -22.146 1.00 32.12 O ATOM 278 CB ASN A 18 0.587 2.666 -23.395 1.00 4.21 C ATOM 279 CG ASN A 18 1.127 4.075 -23.549 1.00 23.11 C ATOM 280 OD1 ASN A 18 0.530 5.037 -23.066 1.00 20.14 O ATOM 281 ND2 ASN A 18 2.263 4.202 -24.225 1.00 40.42 N ATOM 0 H ASN A 18 1.997 1.679 -21.622 1.00 20.22 H new ATOM 0 HA ASN A 18 -0.313 3.326 -21.559 1.00 22.12 H new ATOM 0 HB2 ASN A 18 1.375 1.950 -23.629 1.00 4.21 H new ATOM 0 HB3 ASN A 18 -0.214 2.506 -24.117 1.00 4.21 H new ATOM 0 HD21 ASN A 18 2.675 5.125 -24.361 1.00 40.42 H new ATOM 0 HD22 ASN A 18 2.724 3.376 -24.608 1.00 40.42 H new ATOM 288 N GLU A 19 -0.757 0.111 -21.980 1.00 71.43 N ATOM 289 CA GLU A 19 -1.763 -0.944 -22.027 1.00 53.32 C ATOM 290 C GLU A 19 -2.618 -0.936 -20.763 1.00 74.43 C ATOM 291 O GLU A 19 -3.847 -0.969 -20.831 1.00 73.45 O ATOM 292 CB GLU A 19 -1.095 -2.310 -22.196 1.00 52.23 C ATOM 293 CG GLU A 19 -0.716 -2.628 -23.633 1.00 33.42 C ATOM 294 CD GLU A 19 -1.907 -3.055 -24.469 1.00 41.24 C ATOM 295 OE1 GLU A 19 -3.037 -2.624 -24.158 1.00 23.15 O ATOM 296 OE2 GLU A 19 -1.708 -3.820 -25.437 1.00 11.53 O ATOM 0 H GLU A 19 0.203 -0.224 -21.896 1.00 71.43 H new ATOM 0 HA GLU A 19 -2.410 -0.756 -22.884 1.00 53.32 H new ATOM 0 HB2 GLU A 19 -0.199 -2.346 -21.576 1.00 52.23 H new ATOM 0 HB3 GLU A 19 -1.769 -3.083 -21.827 1.00 52.23 H new ATOM 0 HG2 GLU A 19 -0.255 -1.750 -24.086 1.00 33.42 H new ATOM 0 HG3 GLU A 19 0.032 -3.421 -23.641 1.00 33.42 H new ATOM 303 N PHE A 20 -1.959 -0.894 -19.610 1.00 51.43 N ATOM 304 CA PHE A 20 -2.657 -0.884 -18.330 1.00 55.22 C ATOM 305 C PHE A 20 -3.591 0.319 -18.229 1.00 5.41 C ATOM 306 O PHE A 20 -4.727 0.202 -17.770 1.00 21.11 O ATOM 307 CB PHE A 20 -1.652 -0.862 -17.177 1.00 32.31 C ATOM 308 CG PHE A 20 -0.721 -2.041 -17.171 1.00 40.34 C ATOM 309 CD1 PHE A 20 -1.181 -3.305 -17.503 1.00 25.21 C ATOM 310 CD2 PHE A 20 0.614 -1.884 -16.835 1.00 70.12 C ATOM 311 CE1 PHE A 20 -0.326 -4.391 -17.498 1.00 22.22 C ATOM 312 CE2 PHE A 20 1.474 -2.966 -16.829 1.00 34.52 C ATOM 313 CZ PHE A 20 1.003 -4.222 -17.162 1.00 1.54 C ATOM 0 H PHE A 20 -0.942 -0.866 -19.536 1.00 51.43 H new ATOM 0 HA PHE A 20 -3.255 -1.793 -18.264 1.00 55.22 H new ATOM 0 HB2 PHE A 20 -1.065 0.054 -17.235 1.00 32.31 H new ATOM 0 HB3 PHE A 20 -2.195 -0.833 -16.232 1.00 32.31 H new ATOM 0 HD1 PHE A 20 -2.219 -3.443 -17.769 1.00 25.21 H new ATOM 0 HD2 PHE A 20 0.987 -0.904 -16.575 1.00 70.12 H new ATOM 0 HE1 PHE A 20 -0.697 -5.372 -17.757 1.00 22.22 H new ATOM 0 HE2 PHE A 20 2.512 -2.830 -16.565 1.00 34.52 H new ATOM 0 HZ PHE A 20 1.673 -5.069 -17.159 1.00 1.54 H new ATOM 323 N LYS A 21 -3.102 1.477 -18.660 1.00 40.25 N ATOM 324 CA LYS A 21 -3.890 2.703 -18.620 1.00 50.31 C ATOM 325 C LYS A 21 -5.093 2.608 -19.553 1.00 42.04 C ATOM 326 O LYS A 21 -6.117 3.252 -19.329 1.00 1.32 O ATOM 327 CB LYS A 21 -3.024 3.904 -19.008 1.00 63.33 C ATOM 328 CG LYS A 21 -3.511 5.219 -18.426 1.00 53.22 C ATOM 329 CD LYS A 21 -2.629 6.380 -18.854 1.00 64.44 C ATOM 330 CE LYS A 21 -3.162 7.706 -18.337 1.00 14.44 C ATOM 331 NZ LYS A 21 -4.526 7.998 -18.860 1.00 3.11 N ATOM 0 H LYS A 21 -2.163 1.592 -19.041 1.00 40.25 H new ATOM 0 HA LYS A 21 -4.253 2.838 -17.601 1.00 50.31 H new ATOM 0 HB2 LYS A 21 -2.001 3.726 -18.676 1.00 63.33 H new ATOM 0 HB3 LYS A 21 -2.997 3.985 -20.095 1.00 63.33 H new ATOM 0 HG2 LYS A 21 -4.536 5.402 -18.747 1.00 53.22 H new ATOM 0 HG3 LYS A 21 -3.525 5.153 -17.338 1.00 53.22 H new ATOM 0 HD2 LYS A 21 -1.616 6.225 -18.483 1.00 64.44 H new ATOM 0 HD3 LYS A 21 -2.569 6.410 -19.942 1.00 64.44 H new ATOM 0 HE2 LYS A 21 -3.187 7.687 -17.247 1.00 14.44 H new ATOM 0 HE3 LYS A 21 -2.483 8.508 -18.626 1.00 14.44 H new ATOM 0 HZ1 LYS A 21 -4.745 9.005 -18.716 1.00 3.11 H new ATOM 0 HZ2 LYS A 21 -4.563 7.777 -19.876 1.00 3.11 H new ATOM 0 HZ3 LYS A 21 -5.224 7.416 -18.354 1.00 3.11 H new ATOM 345 N ALA A 22 -4.962 1.799 -20.600 1.00 5.32 N ATOM 346 CA ALA A 22 -6.039 1.617 -21.564 1.00 41.35 C ATOM 347 C ALA A 22 -7.074 0.622 -21.051 1.00 25.13 C ATOM 348 O ALA A 22 -8.248 0.956 -20.900 1.00 34.40 O ATOM 349 CB ALA A 22 -5.478 1.156 -22.901 1.00 61.34 C ATOM 0 H ALA A 22 -4.120 1.260 -20.801 1.00 5.32 H new ATOM 0 HA ALA A 22 -6.535 2.578 -21.702 1.00 41.35 H new ATOM 0 HB1 ALA A 22 -6.294 1.024 -23.612 1.00 61.34 H new ATOM 0 HB2 ALA A 22 -4.783 1.904 -23.281 1.00 61.34 H new ATOM 0 HB3 ALA A 22 -4.955 0.209 -22.769 1.00 61.34 H new ATOM 355 N ALA A 23 -6.629 -0.602 -20.784 1.00 50.11 N ATOM 356 CA ALA A 23 -7.517 -1.645 -20.286 1.00 64.30 C ATOM 357 C ALA A 23 -8.268 -1.180 -19.043 1.00 63.12 C ATOM 358 O ALA A 23 -9.426 -1.541 -18.834 1.00 53.55 O ATOM 359 CB ALA A 23 -6.727 -2.911 -19.985 1.00 41.41 C ATOM 0 H ALA A 23 -5.659 -0.895 -20.904 1.00 50.11 H new ATOM 0 HA ALA A 23 -8.251 -1.863 -21.061 1.00 64.30 H new ATOM 0 HB1 ALA A 23 -7.402 -3.682 -19.614 1.00 41.41 H new ATOM 0 HB2 ALA A 23 -6.241 -3.262 -20.896 1.00 41.41 H new ATOM 0 HB3 ALA A 23 -5.971 -2.697 -19.230 1.00 41.41 H new ATOM 365 N PHE A 24 -7.601 -0.378 -18.220 1.00 25.11 N ATOM 366 CA PHE A 24 -8.205 0.135 -16.996 1.00 41.21 C ATOM 367 C PHE A 24 -9.339 1.105 -17.315 1.00 34.52 C ATOM 368 O PHE A 24 -10.397 1.068 -16.686 1.00 20.34 O ATOM 369 CB PHE A 24 -7.150 0.833 -16.135 1.00 20.32 C ATOM 370 CG PHE A 24 -7.722 1.526 -14.931 1.00 65.11 C ATOM 371 CD1 PHE A 24 -8.141 2.844 -15.009 1.00 14.02 C ATOM 372 CD2 PHE A 24 -7.840 0.859 -13.722 1.00 45.23 C ATOM 373 CE1 PHE A 24 -8.667 3.484 -13.902 1.00 41.35 C ATOM 374 CE2 PHE A 24 -8.365 1.494 -12.613 1.00 3.34 C ATOM 375 CZ PHE A 24 -8.780 2.808 -12.703 1.00 41.33 C ATOM 0 H PHE A 24 -6.642 -0.069 -18.378 1.00 25.11 H new ATOM 0 HA PHE A 24 -8.616 -0.709 -16.442 1.00 41.21 H new ATOM 0 HB2 PHE A 24 -6.416 0.097 -15.806 1.00 20.32 H new ATOM 0 HB3 PHE A 24 -6.619 1.563 -16.746 1.00 20.32 H new ATOM 0 HD1 PHE A 24 -8.056 3.377 -15.944 1.00 14.02 H new ATOM 0 HD2 PHE A 24 -7.518 -0.169 -13.646 1.00 45.23 H new ATOM 0 HE1 PHE A 24 -8.989 4.512 -13.975 1.00 41.35 H new ATOM 0 HE2 PHE A 24 -8.451 0.963 -11.676 1.00 3.34 H new ATOM 0 HZ PHE A 24 -9.192 3.306 -11.838 1.00 41.33 H new ATOM 385 N ASP A 25 -9.111 1.971 -18.296 1.00 31.05 N ATOM 386 CA ASP A 25 -10.113 2.950 -18.699 1.00 52.52 C ATOM 387 C ASP A 25 -11.329 2.263 -19.312 1.00 72.22 C ATOM 388 O ASP A 25 -12.455 2.746 -19.189 1.00 32.22 O ATOM 389 CB ASP A 25 -9.515 3.942 -19.698 1.00 62.14 C ATOM 390 CG ASP A 25 -10.269 5.256 -19.732 1.00 53.43 C ATOM 391 OD1 ASP A 25 -11.260 5.352 -20.487 1.00 4.32 O ATOM 392 OD2 ASP A 25 -9.869 6.190 -19.005 1.00 31.41 O ATOM 0 H ASP A 25 -8.241 2.015 -18.827 1.00 31.05 H new ATOM 0 HA ASP A 25 -10.434 3.491 -17.809 1.00 52.52 H new ATOM 0 HB2 ASP A 25 -8.473 4.131 -19.438 1.00 62.14 H new ATOM 0 HB3 ASP A 25 -9.520 3.498 -20.693 1.00 62.14 H new ATOM 397 N ILE A 26 -11.094 1.135 -19.973 1.00 63.42 N ATOM 398 CA ILE A 26 -12.170 0.381 -20.605 1.00 43.32 C ATOM 399 C ILE A 26 -13.056 -0.291 -19.562 1.00 71.13 C ATOM 400 O ILE A 26 -14.249 -0.498 -19.786 1.00 50.20 O ATOM 401 CB ILE A 26 -11.619 -0.692 -21.563 1.00 3.41 C ATOM 402 CG1 ILE A 26 -10.838 -0.036 -22.703 1.00 42.35 C ATOM 403 CG2 ILE A 26 -12.753 -1.544 -22.112 1.00 22.31 C ATOM 404 CD1 ILE A 26 -10.278 -1.026 -23.701 1.00 33.14 C ATOM 0 H ILE A 26 -10.168 0.723 -20.085 1.00 63.42 H new ATOM 0 HA ILE A 26 -12.763 1.096 -21.176 1.00 43.32 H new ATOM 0 HB ILE A 26 -10.940 -1.340 -21.008 1.00 3.41 H new ATOM 0 HG12 ILE A 26 -11.491 0.663 -23.225 1.00 42.35 H new ATOM 0 HG13 ILE A 26 -10.018 0.547 -22.283 1.00 42.35 H new ATOM 0 HG21 ILE A 26 -12.348 -2.298 -22.787 1.00 22.31 H new ATOM 0 HG22 ILE A 26 -13.270 -2.036 -21.288 1.00 22.31 H new ATOM 0 HG23 ILE A 26 -13.455 -0.910 -22.655 1.00 22.31 H new ATOM 0 HD11 ILE A 26 -9.737 -0.490 -24.481 1.00 33.14 H new ATOM 0 HD12 ILE A 26 -9.599 -1.710 -23.193 1.00 33.14 H new ATOM 0 HD13 ILE A 26 -11.095 -1.592 -24.149 1.00 33.14 H new ATOM 416 N PHE A 27 -12.465 -0.629 -18.421 1.00 33.11 N ATOM 417 CA PHE A 27 -13.201 -1.278 -17.342 1.00 13.41 C ATOM 418 C PHE A 27 -14.020 -0.260 -16.553 1.00 51.45 C ATOM 419 O PHE A 27 -15.133 -0.548 -16.114 1.00 54.21 O ATOM 420 CB PHE A 27 -12.237 -2.009 -16.406 1.00 1.55 C ATOM 421 CG PHE A 27 -11.870 -3.386 -16.879 1.00 41.11 C ATOM 422 CD1 PHE A 27 -11.441 -3.594 -18.180 1.00 22.21 C ATOM 423 CD2 PHE A 27 -11.955 -4.472 -16.023 1.00 65.44 C ATOM 424 CE1 PHE A 27 -11.102 -4.860 -18.619 1.00 21.32 C ATOM 425 CE2 PHE A 27 -11.617 -5.741 -16.456 1.00 44.44 C ATOM 426 CZ PHE A 27 -11.191 -5.935 -17.756 1.00 70.10 C ATOM 0 H PHE A 27 -11.479 -0.464 -18.219 1.00 33.11 H new ATOM 0 HA PHE A 27 -13.884 -2.002 -17.786 1.00 13.41 H new ATOM 0 HB2 PHE A 27 -11.328 -1.416 -16.298 1.00 1.55 H new ATOM 0 HB3 PHE A 27 -12.689 -2.082 -15.417 1.00 1.55 H new ATOM 0 HD1 PHE A 27 -11.371 -2.757 -18.859 1.00 22.21 H new ATOM 0 HD2 PHE A 27 -12.289 -4.326 -15.006 1.00 65.44 H new ATOM 0 HE1 PHE A 27 -10.768 -5.009 -19.635 1.00 21.32 H new ATOM 0 HE2 PHE A 27 -11.686 -6.580 -15.779 1.00 44.44 H new ATOM 0 HZ PHE A 27 -10.928 -6.925 -18.097 1.00 70.10 H new ATOM 436 N VAL A 28 -13.460 0.933 -16.378 1.00 23.14 N ATOM 437 CA VAL A 28 -14.137 1.995 -15.643 1.00 23.22 C ATOM 438 C VAL A 28 -15.089 2.768 -16.548 1.00 13.14 C ATOM 439 O VAL A 28 -15.690 3.760 -16.132 1.00 34.31 O ATOM 440 CB VAL A 28 -13.128 2.977 -15.019 1.00 45.21 C ATOM 441 CG1 VAL A 28 -12.167 2.242 -14.097 1.00 11.34 C ATOM 442 CG2 VAL A 28 -12.369 3.723 -16.107 1.00 14.45 C ATOM 0 H VAL A 28 -12.539 1.188 -16.735 1.00 23.14 H new ATOM 0 HA VAL A 28 -14.706 1.516 -14.846 1.00 23.22 H new ATOM 0 HB VAL A 28 -13.678 3.707 -14.424 1.00 45.21 H new ATOM 0 HG11 VAL A 28 -11.462 2.952 -13.666 1.00 11.34 H new ATOM 0 HG12 VAL A 28 -12.728 1.757 -13.298 1.00 11.34 H new ATOM 0 HG13 VAL A 28 -11.621 1.489 -14.666 1.00 11.34 H new ATOM 0 HG21 VAL A 28 -11.660 4.413 -15.649 1.00 14.45 H new ATOM 0 HG22 VAL A 28 -11.830 3.009 -16.729 1.00 14.45 H new ATOM 0 HG23 VAL A 28 -13.073 4.282 -16.723 1.00 14.45 H new ATOM 452 N LEU A 29 -15.223 2.309 -17.787 1.00 33.52 N ATOM 453 CA LEU A 29 -16.104 2.957 -18.752 1.00 72.32 C ATOM 454 C LEU A 29 -17.531 3.035 -18.220 1.00 14.41 C ATOM 455 O LEU A 29 -18.316 3.883 -18.642 1.00 55.22 O ATOM 456 CB LEU A 29 -16.084 2.198 -20.080 1.00 71.13 C ATOM 457 CG LEU A 29 -15.134 2.740 -21.149 1.00 22.14 C ATOM 458 CD1 LEU A 29 -15.177 1.868 -22.394 1.00 31.44 C ATOM 459 CD2 LEU A 29 -15.484 4.181 -21.492 1.00 65.41 C ATOM 0 H LEU A 29 -14.733 1.490 -18.147 1.00 33.52 H new ATOM 0 HA LEU A 29 -15.740 3.972 -18.914 1.00 72.32 H new ATOM 0 HB2 LEU A 29 -15.818 1.160 -19.878 1.00 71.13 H new ATOM 0 HB3 LEU A 29 -17.094 2.194 -20.489 1.00 71.13 H new ATOM 0 HG LEU A 29 -14.120 2.718 -20.751 1.00 22.14 H new ATOM 0 HD11 LEU A 29 -14.495 2.270 -23.143 1.00 31.44 H new ATOM 0 HD12 LEU A 29 -14.877 0.852 -22.137 1.00 31.44 H new ATOM 0 HD13 LEU A 29 -16.190 1.856 -22.795 1.00 31.44 H new ATOM 0 HD21 LEU A 29 -14.798 4.551 -22.254 1.00 65.41 H new ATOM 0 HD22 LEU A 29 -16.505 4.227 -21.870 1.00 65.41 H new ATOM 0 HD23 LEU A 29 -15.400 4.799 -20.598 1.00 65.41 H new ATOM 471 N GLY A 30 -17.860 2.146 -17.288 1.00 30.22 N ATOM 472 CA GLY A 30 -19.192 2.133 -16.711 1.00 62.03 C ATOM 473 C GLY A 30 -19.305 3.028 -15.494 1.00 11.54 C ATOM 474 O GLY A 30 -20.385 3.529 -15.181 1.00 70.21 O ATOM 0 H GLY A 30 -17.228 1.434 -16.922 1.00 30.22 H new ATOM 0 HA2 GLY A 30 -19.913 2.454 -17.463 1.00 62.03 H new ATOM 0 HA3 GLY A 30 -19.454 1.112 -16.433 1.00 62.03 H new ATOM 478 N ALA A 31 -18.187 3.230 -14.803 1.00 75.11 N ATOM 479 CA ALA A 31 -18.166 4.071 -13.613 1.00 0.20 C ATOM 480 C ALA A 31 -18.284 5.546 -13.981 1.00 55.21 C ATOM 481 O ALA A 31 -18.184 5.913 -15.151 1.00 63.34 O ATOM 482 CB ALA A 31 -16.894 3.825 -12.815 1.00 61.24 C ATOM 0 H ALA A 31 -17.284 2.822 -15.047 1.00 75.11 H new ATOM 0 HA ALA A 31 -19.026 3.807 -12.997 1.00 0.20 H new ATOM 0 HB1 ALA A 31 -16.892 4.460 -11.929 1.00 61.24 H new ATOM 0 HB2 ALA A 31 -16.851 2.779 -12.512 1.00 61.24 H new ATOM 0 HB3 ALA A 31 -16.026 4.060 -13.432 1.00 61.24 H new ATOM 488 N GLU A 32 -18.500 6.387 -12.974 1.00 43.34 N ATOM 489 CA GLU A 32 -18.634 7.823 -13.194 1.00 65.43 C ATOM 490 C GLU A 32 -17.394 8.566 -12.705 1.00 30.13 C ATOM 491 O GLU A 32 -17.014 9.596 -13.262 1.00 60.44 O ATOM 492 CB GLU A 32 -19.877 8.357 -12.480 1.00 71.35 C ATOM 493 CG GLU A 32 -21.179 7.787 -13.018 1.00 31.34 C ATOM 494 CD GLU A 32 -22.399 8.380 -12.340 1.00 52.34 C ATOM 495 OE1 GLU A 32 -22.858 9.455 -12.782 1.00 71.42 O ATOM 496 OE2 GLU A 32 -22.895 7.771 -11.369 1.00 44.54 O ATOM 0 H GLU A 32 -18.586 6.099 -11.999 1.00 43.34 H new ATOM 0 HA GLU A 32 -18.739 7.992 -14.266 1.00 65.43 H new ATOM 0 HB2 GLU A 32 -19.802 8.128 -11.417 1.00 71.35 H new ATOM 0 HB3 GLU A 32 -19.900 9.443 -12.572 1.00 71.35 H new ATOM 0 HG2 GLU A 32 -21.237 7.973 -14.090 1.00 31.34 H new ATOM 0 HG3 GLU A 32 -21.182 6.706 -12.882 1.00 31.34 H new ATOM 503 N ASP A 33 -16.769 8.037 -11.659 1.00 20.22 N ATOM 504 CA ASP A 33 -15.572 8.649 -11.093 1.00 70.34 C ATOM 505 C ASP A 33 -14.313 8.075 -11.736 1.00 31.20 C ATOM 506 O ASP A 33 -13.312 8.772 -11.894 1.00 25.42 O ATOM 507 CB ASP A 33 -15.530 8.434 -9.580 1.00 12.33 C ATOM 508 CG ASP A 33 -16.579 9.250 -8.850 1.00 54.02 C ATOM 509 OD1 ASP A 33 -17.333 9.986 -9.522 1.00 64.32 O ATOM 510 OD2 ASP A 33 -16.648 9.152 -7.607 1.00 50.13 O ATOM 0 H ASP A 33 -17.071 7.186 -11.186 1.00 20.22 H new ATOM 0 HA ASP A 33 -15.609 9.719 -11.299 1.00 70.34 H new ATOM 0 HB2 ASP A 33 -15.680 7.377 -9.362 1.00 12.33 H new ATOM 0 HB3 ASP A 33 -14.542 8.700 -9.205 1.00 12.33 H new ATOM 515 N GLY A 34 -14.372 6.798 -12.104 1.00 44.41 N ATOM 516 CA GLY A 34 -13.230 6.152 -12.724 1.00 4.12 C ATOM 517 C GLY A 34 -12.608 5.095 -11.833 1.00 62.11 C ATOM 518 O GLY A 34 -11.415 5.150 -11.532 1.00 43.44 O ATOM 0 H GLY A 34 -15.190 6.200 -11.984 1.00 44.41 H new ATOM 0 HA2 GLY A 34 -13.541 5.694 -13.663 1.00 4.12 H new ATOM 0 HA3 GLY A 34 -12.480 6.904 -12.969 1.00 4.12 H new ATOM 522 N CYS A 35 -13.417 4.131 -11.409 1.00 21.23 N ATOM 523 CA CYS A 35 -12.939 3.057 -10.544 1.00 55.14 C ATOM 524 C CYS A 35 -13.630 1.740 -10.882 1.00 21.31 C ATOM 525 O CYS A 35 -14.531 1.697 -11.720 1.00 30.10 O ATOM 526 CB CYS A 35 -13.180 3.411 -9.076 1.00 42.31 C ATOM 527 SG CYS A 35 -12.363 4.933 -8.541 1.00 20.15 S ATOM 0 H CYS A 35 -14.406 4.070 -11.649 1.00 21.23 H new ATOM 0 HA CYS A 35 -11.868 2.938 -10.710 1.00 55.14 H new ATOM 0 HB2 CYS A 35 -14.253 3.509 -8.908 1.00 42.31 H new ATOM 0 HB3 CYS A 35 -12.833 2.587 -8.453 1.00 42.31 H new ATOM 0 HG CYS A 35 -11.694 5.439 -9.534 1.00 20.15 H new ATOM 533 N ILE A 36 -13.200 0.667 -10.226 1.00 10.45 N ATOM 534 CA ILE A 36 -13.776 -0.651 -10.457 1.00 35.22 C ATOM 535 C ILE A 36 -14.175 -1.315 -9.143 1.00 63.31 C ATOM 536 O ILE A 36 -13.322 -1.646 -8.319 1.00 41.52 O ATOM 537 CB ILE A 36 -12.795 -1.571 -11.207 1.00 51.12 C ATOM 538 CG1 ILE A 36 -12.400 -0.946 -12.547 1.00 23.51 C ATOM 539 CG2 ILE A 36 -13.413 -2.945 -11.419 1.00 14.21 C ATOM 540 CD1 ILE A 36 -10.906 -0.912 -12.780 1.00 64.41 C ATOM 0 H ILE A 36 -12.454 0.685 -9.530 1.00 10.45 H new ATOM 0 HA ILE A 36 -14.664 -0.503 -11.071 1.00 35.22 H new ATOM 0 HB ILE A 36 -11.896 -1.689 -10.602 1.00 51.12 H new ATOM 0 HG12 ILE A 36 -12.873 -1.506 -13.354 1.00 23.51 H new ATOM 0 HG13 ILE A 36 -12.790 0.071 -12.594 1.00 23.51 H new ATOM 0 HG21 ILE A 36 -12.707 -3.583 -11.950 1.00 14.21 H new ATOM 0 HG22 ILE A 36 -13.649 -3.391 -10.453 1.00 14.21 H new ATOM 0 HG23 ILE A 36 -14.326 -2.847 -12.006 1.00 14.21 H new ATOM 0 HD11 ILE A 36 -10.699 -0.456 -13.748 1.00 64.41 H new ATOM 0 HD12 ILE A 36 -10.428 -0.327 -11.994 1.00 64.41 H new ATOM 0 HD13 ILE A 36 -10.512 -1.928 -12.766 1.00 64.41 H new ATOM 552 N SER A 37 -15.476 -1.510 -8.955 1.00 51.42 N ATOM 553 CA SER A 37 -15.988 -2.133 -7.741 1.00 14.15 C ATOM 554 C SER A 37 -16.064 -3.648 -7.898 1.00 73.51 C ATOM 555 O SER A 37 -16.257 -4.162 -9.001 1.00 2.40 O ATOM 556 CB SER A 37 -17.371 -1.574 -7.400 1.00 32.35 C ATOM 557 OG SER A 37 -18.356 -2.071 -8.289 1.00 64.35 O ATOM 0 H SER A 37 -16.195 -1.245 -9.628 1.00 51.42 H new ATOM 0 HA SER A 37 -15.300 -1.904 -6.927 1.00 14.15 H new ATOM 0 HB2 SER A 37 -17.632 -1.842 -6.376 1.00 32.35 H new ATOM 0 HB3 SER A 37 -17.349 -0.485 -7.449 1.00 32.35 H new ATOM 0 HG SER A 37 -19.231 -1.700 -8.049 1.00 64.35 H new ATOM 563 N THR A 38 -15.912 -4.361 -6.786 1.00 65.23 N ATOM 564 CA THR A 38 -15.961 -5.818 -6.799 1.00 52.33 C ATOM 565 C THR A 38 -17.255 -6.318 -7.432 1.00 24.10 C ATOM 566 O THR A 38 -17.310 -7.428 -7.962 1.00 51.00 O ATOM 567 CB THR A 38 -15.841 -6.397 -5.377 1.00 14.41 C ATOM 568 OG1 THR A 38 -16.154 -7.794 -5.389 1.00 15.24 O ATOM 569 CG2 THR A 38 -16.772 -5.671 -4.417 1.00 74.12 C ATOM 0 H THR A 38 -15.754 -3.953 -5.865 1.00 65.23 H new ATOM 0 HA THR A 38 -15.113 -6.158 -7.394 1.00 52.33 H new ATOM 0 HB THR A 38 -14.815 -6.258 -5.037 1.00 14.41 H new ATOM 0 HG1 THR A 38 -16.074 -8.155 -4.481 1.00 15.24 H new ATOM 0 HG21 THR A 38 -16.670 -6.097 -3.419 1.00 74.12 H new ATOM 0 HG22 THR A 38 -16.512 -4.613 -4.388 1.00 74.12 H new ATOM 0 HG23 THR A 38 -17.802 -5.782 -4.755 1.00 74.12 H new ATOM 577 N LYS A 39 -18.294 -5.493 -7.374 1.00 12.40 N ATOM 578 CA LYS A 39 -19.588 -5.850 -7.943 1.00 52.22 C ATOM 579 C LYS A 39 -19.490 -6.014 -9.456 1.00 53.15 C ATOM 580 O LYS A 39 -19.900 -7.036 -10.006 1.00 44.32 O ATOM 581 CB LYS A 39 -20.631 -4.783 -7.602 1.00 3.24 C ATOM 582 CG LYS A 39 -21.320 -5.011 -6.268 1.00 33.23 C ATOM 583 CD LYS A 39 -20.348 -4.879 -5.107 1.00 61.35 C ATOM 584 CE LYS A 39 -21.079 -4.724 -3.783 1.00 22.44 C ATOM 585 NZ LYS A 39 -21.439 -6.042 -3.191 1.00 31.55 N ATOM 0 H LYS A 39 -18.265 -4.571 -6.938 1.00 12.40 H new ATOM 0 HA LYS A 39 -19.896 -6.802 -7.511 1.00 52.22 H new ATOM 0 HB2 LYS A 39 -20.148 -3.806 -7.590 1.00 3.24 H new ATOM 0 HB3 LYS A 39 -21.383 -4.757 -8.390 1.00 3.24 H new ATOM 0 HG2 LYS A 39 -22.130 -4.292 -6.149 1.00 33.23 H new ATOM 0 HG3 LYS A 39 -21.770 -6.004 -6.255 1.00 33.23 H new ATOM 0 HD2 LYS A 39 -19.705 -5.758 -5.068 1.00 61.35 H new ATOM 0 HD3 LYS A 39 -19.701 -4.017 -5.269 1.00 61.35 H new ATOM 0 HE2 LYS A 39 -20.451 -4.171 -3.084 1.00 22.44 H new ATOM 0 HE3 LYS A 39 -21.983 -4.135 -3.934 1.00 22.44 H new ATOM 0 HZ1 LYS A 39 -21.936 -5.894 -2.289 1.00 31.55 H new ATOM 0 HZ2 LYS A 39 -22.059 -6.559 -3.847 1.00 31.55 H new ATOM 0 HZ3 LYS A 39 -20.574 -6.595 -3.023 1.00 31.55 H new ATOM 599 N GLU A 40 -18.944 -5.002 -10.123 1.00 52.50 N ATOM 600 CA GLU A 40 -18.793 -5.036 -11.573 1.00 4.41 C ATOM 601 C GLU A 40 -17.601 -5.900 -11.975 1.00 74.42 C ATOM 602 O GLU A 40 -17.653 -6.625 -12.970 1.00 52.43 O ATOM 603 CB GLU A 40 -18.617 -3.619 -12.123 1.00 51.31 C ATOM 604 CG GLU A 40 -19.598 -2.614 -11.542 1.00 22.23 C ATOM 605 CD GLU A 40 -21.035 -2.916 -11.919 1.00 61.43 C ATOM 606 OE1 GLU A 40 -21.310 -3.074 -13.127 1.00 43.45 O ATOM 607 OE2 GLU A 40 -21.884 -2.995 -11.008 1.00 35.34 O ATOM 0 H GLU A 40 -18.599 -4.149 -9.683 1.00 52.50 H new ATOM 0 HA GLU A 40 -19.697 -5.473 -11.997 1.00 4.41 H new ATOM 0 HB2 GLU A 40 -17.601 -3.282 -11.918 1.00 51.31 H new ATOM 0 HB3 GLU A 40 -18.732 -3.642 -13.207 1.00 51.31 H new ATOM 0 HG2 GLU A 40 -19.505 -2.607 -10.456 1.00 22.23 H new ATOM 0 HG3 GLU A 40 -19.337 -1.615 -11.890 1.00 22.23 H new ATOM 614 N LEU A 41 -16.529 -5.819 -11.195 1.00 60.25 N ATOM 615 CA LEU A 41 -15.323 -6.593 -11.469 1.00 74.55 C ATOM 616 C LEU A 41 -15.653 -8.074 -11.635 1.00 3.41 C ATOM 617 O LEU A 41 -15.000 -8.784 -12.399 1.00 11.42 O ATOM 618 CB LEU A 41 -14.307 -6.408 -10.341 1.00 72.42 C ATOM 619 CG LEU A 41 -12.989 -7.167 -10.494 1.00 64.33 C ATOM 620 CD1 LEU A 41 -12.490 -7.087 -11.929 1.00 1.13 C ATOM 621 CD2 LEU A 41 -11.944 -6.620 -9.533 1.00 24.11 C ATOM 0 H LEU A 41 -16.470 -5.225 -10.368 1.00 60.25 H new ATOM 0 HA LEU A 41 -14.891 -6.229 -12.401 1.00 74.55 H new ATOM 0 HB2 LEU A 41 -14.083 -5.345 -10.252 1.00 72.42 H new ATOM 0 HB3 LEU A 41 -14.773 -6.715 -9.405 1.00 72.42 H new ATOM 0 HG LEU A 41 -13.165 -8.215 -10.250 1.00 64.33 H new ATOM 0 HD11 LEU A 41 -11.551 -7.633 -12.019 1.00 1.13 H new ATOM 0 HD12 LEU A 41 -13.231 -7.527 -12.597 1.00 1.13 H new ATOM 0 HD13 LEU A 41 -12.330 -6.044 -12.201 1.00 1.13 H new ATOM 0 HD21 LEU A 41 -11.012 -7.172 -9.656 1.00 24.11 H new ATOM 0 HD22 LEU A 41 -11.771 -5.565 -9.745 1.00 24.11 H new ATOM 0 HD23 LEU A 41 -12.299 -6.730 -8.508 1.00 24.11 H new ATOM 633 N GLY A 42 -16.672 -8.532 -10.914 1.00 61.25 N ATOM 634 CA GLY A 42 -17.072 -9.925 -10.997 1.00 43.23 C ATOM 635 C GLY A 42 -17.735 -10.260 -12.318 1.00 50.14 C ATOM 636 O GLY A 42 -17.628 -11.384 -12.808 1.00 63.44 O ATOM 0 H GLY A 42 -17.227 -7.964 -10.274 1.00 61.25 H new ATOM 0 HA2 GLY A 42 -16.196 -10.560 -10.862 1.00 43.23 H new ATOM 0 HA3 GLY A 42 -17.759 -10.152 -10.181 1.00 43.23 H new ATOM 640 N LYS A 43 -18.425 -9.283 -12.897 1.00 44.31 N ATOM 641 CA LYS A 43 -19.109 -9.478 -14.169 1.00 72.35 C ATOM 642 C LYS A 43 -18.107 -9.616 -15.311 1.00 60.20 C ATOM 643 O LYS A 43 -18.252 -10.479 -16.177 1.00 54.34 O ATOM 644 CB LYS A 43 -20.057 -8.309 -14.447 1.00 70.32 C ATOM 645 CG LYS A 43 -21.518 -8.636 -14.190 1.00 61.43 C ATOM 646 CD LYS A 43 -22.441 -7.725 -14.982 1.00 21.12 C ATOM 647 CE LYS A 43 -23.379 -8.522 -15.876 1.00 3.13 C ATOM 648 NZ LYS A 43 -24.013 -7.666 -16.917 1.00 21.53 N ATOM 0 H LYS A 43 -18.525 -8.347 -12.504 1.00 44.31 H new ATOM 0 HA LYS A 43 -19.688 -10.399 -14.103 1.00 72.35 H new ATOM 0 HB2 LYS A 43 -19.768 -7.462 -13.825 1.00 70.32 H new ATOM 0 HB3 LYS A 43 -19.940 -7.997 -15.485 1.00 70.32 H new ATOM 0 HG2 LYS A 43 -21.712 -9.674 -14.459 1.00 61.43 H new ATOM 0 HG3 LYS A 43 -21.732 -8.537 -13.126 1.00 61.43 H new ATOM 0 HD2 LYS A 43 -23.025 -7.111 -14.296 1.00 21.12 H new ATOM 0 HD3 LYS A 43 -21.847 -7.044 -15.592 1.00 21.12 H new ATOM 0 HE2 LYS A 43 -22.825 -9.328 -16.357 1.00 3.13 H new ATOM 0 HE3 LYS A 43 -24.154 -8.987 -15.267 1.00 3.13 H new ATOM 0 HZ1 LYS A 43 -24.645 -8.246 -17.506 1.00 21.53 H new ATOM 0 HZ2 LYS A 43 -24.563 -6.911 -16.459 1.00 21.53 H new ATOM 0 HZ3 LYS A 43 -23.275 -7.242 -17.515 1.00 21.53 H new ATOM 662 N VAL A 44 -17.089 -8.762 -15.305 1.00 42.41 N ATOM 663 CA VAL A 44 -16.061 -8.790 -16.339 1.00 1.03 C ATOM 664 C VAL A 44 -15.310 -10.117 -16.331 1.00 13.11 C ATOM 665 O VAL A 44 -14.804 -10.561 -17.361 1.00 22.02 O ATOM 666 CB VAL A 44 -15.051 -7.641 -16.158 1.00 55.31 C ATOM 667 CG1 VAL A 44 -14.106 -7.569 -17.347 1.00 43.43 C ATOM 668 CG2 VAL A 44 -15.779 -6.319 -15.964 1.00 41.21 C ATOM 0 H VAL A 44 -16.954 -8.042 -14.595 1.00 42.41 H new ATOM 0 HA VAL A 44 -16.570 -8.669 -17.295 1.00 1.03 H new ATOM 0 HB VAL A 44 -14.458 -7.838 -15.265 1.00 55.31 H new ATOM 0 HG11 VAL A 44 -13.400 -6.752 -17.202 1.00 43.43 H new ATOM 0 HG12 VAL A 44 -13.560 -8.508 -17.436 1.00 43.43 H new ATOM 0 HG13 VAL A 44 -14.679 -7.395 -18.258 1.00 43.43 H new ATOM 0 HG21 VAL A 44 -15.051 -5.518 -15.838 1.00 41.21 H new ATOM 0 HG22 VAL A 44 -16.398 -6.113 -16.837 1.00 41.21 H new ATOM 0 HG23 VAL A 44 -16.411 -6.378 -15.078 1.00 41.21 H new ATOM 678 N MET A 45 -15.243 -10.746 -15.162 1.00 12.40 N ATOM 679 CA MET A 45 -14.555 -12.024 -15.020 1.00 55.25 C ATOM 680 C MET A 45 -15.057 -13.028 -16.053 1.00 62.13 C ATOM 681 O MET A 45 -14.318 -13.916 -16.479 1.00 21.22 O ATOM 682 CB MET A 45 -14.756 -12.582 -13.610 1.00 41.32 C ATOM 683 CG MET A 45 -14.101 -11.742 -12.526 1.00 11.14 C ATOM 684 SD MET A 45 -12.535 -12.435 -11.961 1.00 12.10 S ATOM 685 CE MET A 45 -11.710 -12.724 -13.524 1.00 43.10 C ATOM 0 H MET A 45 -15.657 -10.392 -14.300 1.00 12.40 H new ATOM 0 HA MET A 45 -13.491 -11.857 -15.188 1.00 55.25 H new ATOM 0 HB2 MET A 45 -15.824 -12.655 -13.406 1.00 41.32 H new ATOM 0 HB3 MET A 45 -14.353 -13.594 -13.568 1.00 41.32 H new ATOM 0 HG2 MET A 45 -13.932 -10.734 -12.905 1.00 11.14 H new ATOM 0 HG3 MET A 45 -14.782 -11.654 -11.679 1.00 11.14 H new ATOM 0 HE1 MET A 45 -10.699 -13.086 -13.340 1.00 43.10 H new ATOM 0 HE2 MET A 45 -12.264 -13.469 -14.095 1.00 43.10 H new ATOM 0 HE3 MET A 45 -11.665 -11.793 -14.089 1.00 43.10 H new ATOM 695 N ARG A 46 -16.316 -12.882 -16.452 1.00 12.41 N ATOM 696 CA ARG A 46 -16.916 -13.777 -17.434 1.00 21.14 C ATOM 697 C ARG A 46 -16.150 -13.729 -18.753 1.00 13.03 C ATOM 698 O ARG A 46 -16.059 -14.728 -19.465 1.00 62.12 O ATOM 699 CB ARG A 46 -18.381 -13.404 -17.668 1.00 1.10 C ATOM 700 CG ARG A 46 -18.563 -12.153 -18.512 1.00 72.33 C ATOM 701 CD ARG A 46 -19.929 -11.524 -18.288 1.00 11.34 C ATOM 702 NE ARG A 46 -19.920 -10.088 -18.553 1.00 52.41 N ATOM 703 CZ ARG A 46 -21.018 -9.377 -18.786 1.00 3.51 C ATOM 704 NH1 ARG A 46 -22.206 -9.965 -18.786 1.00 24.35 N ATOM 705 NH2 ARG A 46 -20.928 -8.073 -19.019 1.00 73.32 N ATOM 0 H ARG A 46 -16.941 -12.152 -16.110 1.00 12.41 H new ATOM 0 HA ARG A 46 -16.866 -14.793 -17.041 1.00 21.14 H new ATOM 0 HB2 ARG A 46 -18.886 -14.238 -18.156 1.00 1.10 H new ATOM 0 HB3 ARG A 46 -18.868 -13.256 -16.704 1.00 1.10 H new ATOM 0 HG2 ARG A 46 -17.784 -11.431 -18.267 1.00 72.33 H new ATOM 0 HG3 ARG A 46 -18.445 -12.404 -19.566 1.00 72.33 H new ATOM 0 HD2 ARG A 46 -20.661 -12.007 -18.935 1.00 11.34 H new ATOM 0 HD3 ARG A 46 -20.246 -11.701 -17.260 1.00 11.34 H new ATOM 0 HE ARG A 46 -19.022 -9.604 -18.560 1.00 52.41 H new ATOM 0 HH11 ARG A 46 -22.279 -10.966 -18.607 1.00 24.35 H new ATOM 0 HH12 ARG A 46 -23.047 -9.416 -18.965 1.00 24.35 H new ATOM 0 HH21 ARG A 46 -20.016 -7.617 -19.019 1.00 73.32 H new ATOM 0 HH22 ARG A 46 -21.771 -7.528 -19.198 1.00 73.32 H new ATOM 719 N MET A 47 -15.603 -12.560 -19.071 1.00 22.52 N ATOM 720 CA MET A 47 -14.845 -12.383 -20.304 1.00 3.42 C ATOM 721 C MET A 47 -13.574 -13.226 -20.287 1.00 61.21 C ATOM 722 O MET A 47 -13.180 -13.794 -21.307 1.00 31.13 O ATOM 723 CB MET A 47 -14.489 -10.908 -20.501 1.00 13.31 C ATOM 724 CG MET A 47 -15.685 -10.035 -20.846 1.00 72.31 C ATOM 725 SD MET A 47 -15.300 -8.789 -22.091 1.00 63.42 S ATOM 726 CE MET A 47 -16.924 -8.097 -22.391 1.00 40.32 C ATOM 0 H MET A 47 -15.670 -11.722 -18.493 1.00 22.52 H new ATOM 0 HA MET A 47 -15.468 -12.714 -21.135 1.00 3.42 H new ATOM 0 HB2 MET A 47 -14.024 -10.530 -19.590 1.00 13.31 H new ATOM 0 HB3 MET A 47 -13.747 -10.825 -21.295 1.00 13.31 H new ATOM 0 HG2 MET A 47 -16.498 -10.665 -21.208 1.00 72.31 H new ATOM 0 HG3 MET A 47 -16.042 -9.542 -19.942 1.00 72.31 H new ATOM 0 HE1 MET A 47 -16.851 -7.310 -23.141 1.00 40.32 H new ATOM 0 HE2 MET A 47 -17.592 -8.880 -22.750 1.00 40.32 H new ATOM 0 HE3 MET A 47 -17.319 -7.680 -21.465 1.00 40.32 H new ATOM 736 N LEU A 48 -12.936 -13.304 -19.124 1.00 51.24 N ATOM 737 CA LEU A 48 -11.709 -14.078 -18.975 1.00 62.32 C ATOM 738 C LEU A 48 -11.996 -15.574 -19.056 1.00 22.22 C ATOM 739 O LEU A 48 -11.118 -16.368 -19.392 1.00 1.21 O ATOM 740 CB LEU A 48 -11.033 -13.748 -17.643 1.00 61.13 C ATOM 741 CG LEU A 48 -10.091 -12.543 -17.649 1.00 32.30 C ATOM 742 CD1 LEU A 48 -10.787 -11.325 -18.235 1.00 11.30 C ATOM 743 CD2 LEU A 48 -9.592 -12.250 -16.242 1.00 14.44 C ATOM 0 H LEU A 48 -13.248 -12.841 -18.271 1.00 51.24 H new ATOM 0 HA LEU A 48 -11.038 -13.811 -19.792 1.00 62.32 H new ATOM 0 HB2 LEU A 48 -11.809 -13.573 -16.898 1.00 61.13 H new ATOM 0 HB3 LEU A 48 -10.470 -14.623 -17.318 1.00 61.13 H new ATOM 0 HG LEU A 48 -9.231 -12.780 -18.275 1.00 32.30 H new ATOM 0 HD11 LEU A 48 -10.102 -10.477 -18.231 1.00 11.30 H new ATOM 0 HD12 LEU A 48 -11.094 -11.539 -19.259 1.00 11.30 H new ATOM 0 HD13 LEU A 48 -11.665 -11.084 -17.636 1.00 11.30 H new ATOM 0 HD21 LEU A 48 -8.923 -11.390 -16.265 1.00 14.44 H new ATOM 0 HD22 LEU A 48 -10.440 -12.033 -15.593 1.00 14.44 H new ATOM 0 HD23 LEU A 48 -9.055 -13.117 -15.859 1.00 14.44 H new ATOM 755 N GLY A 49 -13.233 -15.952 -18.747 1.00 24.02 N ATOM 756 CA GLY A 49 -13.614 -17.351 -18.793 1.00 31.54 C ATOM 757 C GLY A 49 -13.858 -17.931 -17.414 1.00 35.25 C ATOM 758 O GLY A 49 -14.221 -19.100 -17.281 1.00 3.24 O ATOM 0 H GLY A 49 -13.978 -15.314 -18.466 1.00 24.02 H new ATOM 0 HA2 GLY A 49 -14.517 -17.459 -19.394 1.00 31.54 H new ATOM 0 HA3 GLY A 49 -12.830 -17.922 -19.290 1.00 31.54 H new ATOM 762 N GLN A 50 -13.658 -17.113 -16.385 1.00 74.14 N ATOM 763 CA GLN A 50 -13.857 -17.553 -15.010 1.00 34.24 C ATOM 764 C GLN A 50 -15.065 -16.861 -14.386 1.00 21.21 C ATOM 765 O GLN A 50 -15.449 -15.769 -14.801 1.00 0.41 O ATOM 766 CB GLN A 50 -12.606 -17.272 -14.176 1.00 12.42 C ATOM 767 CG GLN A 50 -11.455 -18.221 -14.467 1.00 1.42 C ATOM 768 CD GLN A 50 -10.198 -17.867 -13.696 1.00 33.31 C ATOM 769 OE1 GLN A 50 -9.102 -17.835 -14.255 1.00 43.30 O ATOM 770 NE2 GLN A 50 -10.351 -17.600 -12.404 1.00 53.02 N ATOM 0 H GLN A 50 -13.358 -16.142 -16.478 1.00 74.14 H new ATOM 0 HA GLN A 50 -14.043 -18.627 -15.022 1.00 34.24 H new ATOM 0 HB2 GLN A 50 -12.278 -16.249 -14.361 1.00 12.42 H new ATOM 0 HB3 GLN A 50 -12.862 -17.338 -13.119 1.00 12.42 H new ATOM 0 HG2 GLN A 50 -11.756 -19.238 -14.217 1.00 1.42 H new ATOM 0 HG3 GLN A 50 -11.238 -18.206 -15.535 1.00 1.42 H new ATOM 0 HE21 GLN A 50 -11.279 -17.638 -11.982 1.00 53.02 H new ATOM 0 HE22 GLN A 50 -9.541 -17.356 -11.834 1.00 53.02 H new ATOM 779 N ASN A 51 -15.659 -17.505 -13.387 1.00 33.51 N ATOM 780 CA ASN A 51 -16.824 -16.952 -12.706 1.00 54.04 C ATOM 781 C ASN A 51 -16.733 -17.177 -11.200 1.00 65.02 C ATOM 782 O ASN A 51 -17.498 -17.942 -10.614 1.00 33.31 O ATOM 783 CB ASN A 51 -18.107 -17.584 -13.251 1.00 30.35 C ATOM 784 CG ASN A 51 -18.045 -19.099 -13.262 1.00 64.55 C ATOM 785 OD1 ASN A 51 -17.168 -19.701 -12.642 1.00 3.42 O ATOM 786 ND2 ASN A 51 -18.978 -19.724 -13.971 1.00 64.35 N ATOM 0 H ASN A 51 -15.353 -18.410 -13.031 1.00 33.51 H new ATOM 0 HA ASN A 51 -16.847 -15.879 -12.894 1.00 54.04 H new ATOM 0 HB2 ASN A 51 -18.954 -17.262 -12.645 1.00 30.35 H new ATOM 0 HB3 ASN A 51 -18.285 -17.223 -14.264 1.00 30.35 H new ATOM 0 HD21 ASN A 51 -18.986 -20.743 -14.017 1.00 64.35 H new ATOM 0 HD22 ASN A 51 -19.686 -19.185 -14.470 1.00 64.35 H new ATOM 793 N PRO A 52 -15.773 -16.494 -10.557 1.00 74.54 N ATOM 794 CA PRO A 52 -15.559 -16.602 -9.111 1.00 61.23 C ATOM 795 C PRO A 52 -16.687 -15.964 -8.309 1.00 15.23 C ATOM 796 O PRO A 52 -17.372 -15.061 -8.790 1.00 54.51 O ATOM 797 CB PRO A 52 -14.249 -15.842 -8.889 1.00 62.34 C ATOM 798 CG PRO A 52 -14.172 -14.880 -10.024 1.00 15.42 C ATOM 799 CD PRO A 52 -14.825 -15.565 -11.193 1.00 3.42 C ATOM 0 HA PRO A 52 -15.527 -17.640 -8.780 1.00 61.23 H new ATOM 0 HB2 PRO A 52 -14.250 -15.324 -7.930 1.00 62.34 H new ATOM 0 HB3 PRO A 52 -13.395 -16.519 -8.885 1.00 62.34 H new ATOM 0 HG2 PRO A 52 -14.684 -13.949 -9.782 1.00 15.42 H new ATOM 0 HG3 PRO A 52 -13.137 -14.625 -10.250 1.00 15.42 H new ATOM 0 HD2 PRO A 52 -15.334 -14.853 -11.843 1.00 3.42 H new ATOM 0 HD3 PRO A 52 -14.096 -16.093 -11.808 1.00 3.42 H new ATOM 807 N THR A 53 -16.877 -16.438 -7.081 1.00 64.33 N ATOM 808 CA THR A 53 -17.923 -15.914 -6.212 1.00 64.31 C ATOM 809 C THR A 53 -17.781 -14.408 -6.028 1.00 3.24 C ATOM 810 O THR A 53 -16.715 -13.829 -6.243 1.00 34.32 O ATOM 811 CB THR A 53 -17.897 -16.594 -4.830 1.00 74.01 C ATOM 812 OG1 THR A 53 -16.587 -17.102 -4.558 1.00 5.02 O ATOM 813 CG2 THR A 53 -18.910 -17.728 -4.766 1.00 45.11 C ATOM 0 H THR A 53 -16.319 -17.184 -6.666 1.00 64.33 H new ATOM 0 HA THR A 53 -18.875 -16.129 -6.697 1.00 64.31 H new ATOM 0 HB THR A 53 -18.160 -15.850 -4.078 1.00 74.01 H new ATOM 0 HG1 THR A 53 -16.615 -17.666 -3.757 1.00 5.02 H new ATOM 0 HG21 THR A 53 -18.874 -18.193 -3.781 1.00 45.11 H new ATOM 0 HG22 THR A 53 -19.910 -17.333 -4.944 1.00 45.11 H new ATOM 0 HG23 THR A 53 -18.673 -18.471 -5.527 1.00 45.11 H new ATOM 821 N PRO A 54 -18.879 -13.755 -5.619 1.00 3.13 N ATOM 822 CA PRO A 54 -18.901 -12.306 -5.395 1.00 30.42 C ATOM 823 C PRO A 54 -18.083 -11.896 -4.175 1.00 54.41 C ATOM 824 O PRO A 54 -17.270 -10.975 -4.244 1.00 10.12 O ATOM 825 CB PRO A 54 -20.385 -12.005 -5.170 1.00 61.01 C ATOM 826 CG PRO A 54 -20.959 -13.284 -4.667 1.00 74.34 C ATOM 827 CD PRO A 54 -20.183 -14.381 -5.343 1.00 1.31 C ATOM 0 HA PRO A 54 -18.462 -11.757 -6.229 1.00 30.42 H new ATOM 0 HB2 PRO A 54 -20.521 -11.199 -4.448 1.00 61.01 H new ATOM 0 HB3 PRO A 54 -20.870 -11.690 -6.094 1.00 61.01 H new ATOM 0 HG2 PRO A 54 -20.868 -13.353 -3.583 1.00 74.34 H new ATOM 0 HG3 PRO A 54 -22.021 -13.355 -4.903 1.00 74.34 H new ATOM 0 HD2 PRO A 54 -20.081 -15.256 -4.701 1.00 1.31 H new ATOM 0 HD3 PRO A 54 -20.671 -14.713 -6.259 1.00 1.31 H new ATOM 835 N GLU A 55 -18.305 -12.585 -3.060 1.00 60.02 N ATOM 836 CA GLU A 55 -17.588 -12.290 -1.825 1.00 62.23 C ATOM 837 C GLU A 55 -16.094 -12.558 -1.986 1.00 72.41 C ATOM 838 O GLU A 55 -15.264 -11.897 -1.363 1.00 74.31 O ATOM 839 CB GLU A 55 -18.146 -13.127 -0.673 1.00 33.43 C ATOM 840 CG GLU A 55 -19.502 -12.653 -0.177 1.00 20.01 C ATOM 841 CD GLU A 55 -19.889 -13.276 1.150 1.00 24.32 C ATOM 842 OE1 GLU A 55 -19.332 -14.342 1.489 1.00 10.10 O ATOM 843 OE2 GLU A 55 -20.747 -12.699 1.850 1.00 72.44 O ATOM 0 H GLU A 55 -18.975 -13.351 -2.987 1.00 60.02 H new ATOM 0 HA GLU A 55 -17.728 -11.233 -1.597 1.00 62.23 H new ATOM 0 HB2 GLU A 55 -18.229 -14.165 -0.996 1.00 33.43 H new ATOM 0 HB3 GLU A 55 -17.438 -13.107 0.156 1.00 33.43 H new ATOM 0 HG2 GLU A 55 -19.488 -11.568 -0.074 1.00 20.01 H new ATOM 0 HG3 GLU A 55 -20.261 -12.893 -0.922 1.00 20.01 H new ATOM 850 N GLU A 56 -15.761 -13.534 -2.826 1.00 52.41 N ATOM 851 CA GLU A 56 -14.368 -13.890 -3.068 1.00 30.24 C ATOM 852 C GLU A 56 -13.629 -12.754 -3.768 1.00 51.34 C ATOM 853 O GLU A 56 -12.434 -12.548 -3.551 1.00 53.32 O ATOM 854 CB GLU A 56 -14.283 -15.164 -3.910 1.00 73.53 C ATOM 855 CG GLU A 56 -14.080 -16.426 -3.088 1.00 11.21 C ATOM 856 CD GLU A 56 -13.622 -17.602 -3.928 1.00 32.43 C ATOM 857 OE1 GLU A 56 -13.777 -17.545 -5.165 1.00 42.53 O ATOM 858 OE2 GLU A 56 -13.109 -18.581 -3.346 1.00 62.32 O ATOM 0 H GLU A 56 -16.436 -14.091 -3.349 1.00 52.41 H new ATOM 0 HA GLU A 56 -13.893 -14.068 -2.103 1.00 30.24 H new ATOM 0 HB2 GLU A 56 -15.198 -15.265 -4.494 1.00 73.53 H new ATOM 0 HB3 GLU A 56 -13.461 -15.066 -4.619 1.00 73.53 H new ATOM 0 HG2 GLU A 56 -13.343 -16.233 -2.308 1.00 11.21 H new ATOM 0 HG3 GLU A 56 -15.014 -16.683 -2.588 1.00 11.21 H new ATOM 865 N LEU A 57 -14.348 -12.019 -4.610 1.00 61.33 N ATOM 866 CA LEU A 57 -13.762 -10.903 -5.344 1.00 64.35 C ATOM 867 C LEU A 57 -13.163 -9.877 -4.388 1.00 64.12 C ATOM 868 O LEU A 57 -11.986 -9.532 -4.491 1.00 63.33 O ATOM 869 CB LEU A 57 -14.818 -10.238 -6.229 1.00 2.14 C ATOM 870 CG LEU A 57 -15.283 -11.045 -7.441 1.00 53.21 C ATOM 871 CD1 LEU A 57 -16.666 -10.592 -7.885 1.00 4.11 C ATOM 872 CD2 LEU A 57 -14.286 -10.915 -8.583 1.00 24.42 C ATOM 0 H LEU A 57 -15.338 -12.176 -4.801 1.00 61.33 H new ATOM 0 HA LEU A 57 -12.963 -11.294 -5.974 1.00 64.35 H new ATOM 0 HB2 LEU A 57 -15.688 -10.011 -5.613 1.00 2.14 H new ATOM 0 HB3 LEU A 57 -14.420 -9.287 -6.582 1.00 2.14 H new ATOM 0 HG LEU A 57 -15.341 -12.095 -7.154 1.00 53.21 H new ATOM 0 HD11 LEU A 57 -16.981 -11.177 -8.749 1.00 4.11 H new ATOM 0 HD12 LEU A 57 -17.375 -10.737 -7.070 1.00 4.11 H new ATOM 0 HD13 LEU A 57 -16.634 -9.536 -8.154 1.00 4.11 H new ATOM 0 HD21 LEU A 57 -14.633 -11.496 -9.437 1.00 24.42 H new ATOM 0 HD22 LEU A 57 -14.195 -9.867 -8.869 1.00 24.42 H new ATOM 0 HD23 LEU A 57 -13.314 -11.288 -8.261 1.00 24.42 H new ATOM 884 N GLN A 58 -13.980 -9.395 -3.458 1.00 31.03 N ATOM 885 CA GLN A 58 -13.530 -8.409 -2.482 1.00 64.41 C ATOM 886 C GLN A 58 -12.337 -8.934 -1.690 1.00 4.33 C ATOM 887 O GLN A 58 -11.537 -8.157 -1.169 1.00 23.32 O ATOM 888 CB GLN A 58 -14.670 -8.046 -1.529 1.00 43.23 C ATOM 889 CG GLN A 58 -14.218 -7.249 -0.316 1.00 60.10 C ATOM 890 CD GLN A 58 -13.622 -5.906 -0.689 1.00 21.03 C ATOM 891 OE1 GLN A 58 -14.279 -5.075 -1.315 1.00 52.55 O ATOM 892 NE2 GLN A 58 -12.370 -5.686 -0.304 1.00 31.31 N ATOM 0 H GLN A 58 -14.957 -9.671 -3.359 1.00 31.03 H new ATOM 0 HA GLN A 58 -13.220 -7.515 -3.022 1.00 64.41 H new ATOM 0 HB2 GLN A 58 -15.418 -7.470 -2.074 1.00 43.23 H new ATOM 0 HB3 GLN A 58 -15.156 -8.962 -1.191 1.00 43.23 H new ATOM 0 HG2 GLN A 58 -15.068 -7.093 0.349 1.00 60.10 H new ATOM 0 HG3 GLN A 58 -13.480 -7.828 0.240 1.00 60.10 H new ATOM 0 HE21 GLN A 58 -11.862 -6.403 0.214 1.00 31.31 H new ATOM 0 HE22 GLN A 58 -11.916 -4.800 -0.526 1.00 31.31 H new ATOM 901 N GLU A 59 -12.225 -10.256 -1.603 1.00 44.51 N ATOM 902 CA GLU A 59 -11.129 -10.882 -0.873 1.00 33.44 C ATOM 903 C GLU A 59 -9.781 -10.483 -1.465 1.00 71.15 C ATOM 904 O GLU A 59 -8.903 -9.988 -0.760 1.00 31.05 O ATOM 905 CB GLU A 59 -11.278 -12.405 -0.895 1.00 23.22 C ATOM 906 CG GLU A 59 -10.700 -13.091 0.332 1.00 40.11 C ATOM 907 CD GLU A 59 -11.481 -12.782 1.595 1.00 64.23 C ATOM 908 OE1 GLU A 59 -12.703 -13.037 1.614 1.00 1.45 O ATOM 909 OE2 GLU A 59 -10.868 -12.286 2.564 1.00 72.24 O ATOM 0 H GLU A 59 -12.879 -10.913 -2.028 1.00 44.51 H new ATOM 0 HA GLU A 59 -11.169 -10.534 0.159 1.00 33.44 H new ATOM 0 HB2 GLU A 59 -12.335 -12.657 -0.978 1.00 23.22 H new ATOM 0 HB3 GLU A 59 -10.786 -12.797 -1.785 1.00 23.22 H new ATOM 0 HG2 GLU A 59 -10.690 -14.169 0.170 1.00 40.11 H new ATOM 0 HG3 GLU A 59 -9.664 -12.779 0.464 1.00 40.11 H new ATOM 916 N MET A 60 -9.625 -10.703 -2.767 1.00 32.01 N ATOM 917 CA MET A 60 -8.385 -10.366 -3.455 1.00 44.22 C ATOM 918 C MET A 60 -8.203 -8.854 -3.538 1.00 44.52 C ATOM 919 O MET A 60 -7.079 -8.359 -3.635 1.00 12.20 O ATOM 920 CB MET A 60 -8.376 -10.970 -4.861 1.00 24.13 C ATOM 921 CG MET A 60 -8.178 -12.477 -4.873 1.00 22.21 C ATOM 922 SD MET A 60 -8.309 -13.182 -6.528 1.00 11.55 S ATOM 923 CE MET A 60 -8.212 -14.932 -6.159 1.00 42.32 C ATOM 0 H MET A 60 -10.342 -11.113 -3.366 1.00 32.01 H new ATOM 0 HA MET A 60 -7.557 -10.783 -2.883 1.00 44.22 H new ATOM 0 HB2 MET A 60 -9.317 -10.731 -5.356 1.00 24.13 H new ATOM 0 HB3 MET A 60 -7.582 -10.503 -5.443 1.00 24.13 H new ATOM 0 HG2 MET A 60 -7.198 -12.714 -4.458 1.00 22.21 H new ATOM 0 HG3 MET A 60 -8.920 -12.942 -4.224 1.00 22.21 H new ATOM 0 HE1 MET A 60 -8.279 -15.503 -7.085 1.00 42.32 H new ATOM 0 HE2 MET A 60 -7.264 -15.148 -5.667 1.00 42.32 H new ATOM 0 HE3 MET A 60 -9.034 -15.211 -5.500 1.00 42.32 H new ATOM 933 N ILE A 61 -9.313 -8.126 -3.500 1.00 15.51 N ATOM 934 CA ILE A 61 -9.275 -6.670 -3.570 1.00 32.10 C ATOM 935 C ILE A 61 -8.856 -6.066 -2.234 1.00 65.31 C ATOM 936 O ILE A 61 -8.366 -4.938 -2.178 1.00 15.15 O ATOM 937 CB ILE A 61 -10.643 -6.090 -3.976 1.00 2.21 C ATOM 938 CG1 ILE A 61 -11.024 -6.560 -5.381 1.00 41.33 C ATOM 939 CG2 ILE A 61 -10.614 -4.570 -3.909 1.00 73.21 C ATOM 940 CD1 ILE A 61 -12.367 -6.043 -5.848 1.00 2.12 C ATOM 0 H ILE A 61 -10.250 -8.520 -3.421 1.00 15.51 H new ATOM 0 HA ILE A 61 -8.539 -6.410 -4.331 1.00 32.10 H new ATOM 0 HB ILE A 61 -11.397 -6.451 -3.276 1.00 2.21 H new ATOM 0 HG12 ILE A 61 -10.256 -6.238 -6.084 1.00 41.33 H new ATOM 0 HG13 ILE A 61 -11.037 -7.650 -5.400 1.00 41.33 H new ATOM 0 HG21 ILE A 61 -11.588 -4.174 -4.199 1.00 73.21 H new ATOM 0 HG22 ILE A 61 -10.382 -4.255 -2.892 1.00 73.21 H new ATOM 0 HG23 ILE A 61 -9.851 -4.190 -4.589 1.00 73.21 H new ATOM 0 HD11 ILE A 61 -12.572 -6.416 -6.852 1.00 2.12 H new ATOM 0 HD12 ILE A 61 -13.146 -6.387 -5.167 1.00 2.12 H new ATOM 0 HD13 ILE A 61 -12.352 -4.953 -5.862 1.00 2.12 H new ATOM 952 N ASP A 62 -9.048 -6.826 -1.161 1.00 54.34 N ATOM 953 CA ASP A 62 -8.687 -6.367 0.175 1.00 33.10 C ATOM 954 C ASP A 62 -7.178 -6.181 0.297 1.00 71.45 C ATOM 955 O ASP A 62 -6.707 -5.147 0.767 1.00 41.40 O ATOM 956 CB ASP A 62 -9.178 -7.362 1.229 1.00 43.45 C ATOM 957 CG ASP A 62 -8.837 -6.925 2.640 1.00 51.12 C ATOM 958 OD1 ASP A 62 -7.746 -7.288 3.126 1.00 5.04 O ATOM 959 OD2 ASP A 62 -9.662 -6.219 3.257 1.00 24.54 O ATOM 0 H ASP A 62 -9.451 -7.762 -1.191 1.00 54.34 H new ATOM 0 HA ASP A 62 -9.168 -5.404 0.344 1.00 33.10 H new ATOM 0 HB2 ASP A 62 -10.258 -7.479 1.139 1.00 43.45 H new ATOM 0 HB3 ASP A 62 -8.734 -8.339 1.037 1.00 43.45 H new ATOM 964 N GLU A 63 -6.426 -7.191 -0.130 1.00 73.41 N ATOM 965 CA GLU A 63 -4.970 -7.139 -0.067 1.00 34.13 C ATOM 966 C GLU A 63 -4.416 -6.154 -1.092 1.00 13.22 C ATOM 967 O GLU A 63 -3.303 -5.649 -0.945 1.00 52.34 O ATOM 968 CB GLU A 63 -4.377 -8.529 -0.307 1.00 11.04 C ATOM 969 CG GLU A 63 -3.642 -9.093 0.898 1.00 71.13 C ATOM 970 CD GLU A 63 -2.620 -10.146 0.517 1.00 62.14 C ATOM 971 OE1 GLU A 63 -2.054 -10.051 -0.592 1.00 41.53 O ATOM 972 OE2 GLU A 63 -2.386 -11.066 1.328 1.00 23.03 O ATOM 0 H GLU A 63 -6.801 -8.054 -0.523 1.00 73.41 H new ATOM 0 HA GLU A 63 -4.687 -6.798 0.929 1.00 34.13 H new ATOM 0 HB2 GLU A 63 -5.178 -9.213 -0.587 1.00 11.04 H new ATOM 0 HB3 GLU A 63 -3.690 -8.481 -1.152 1.00 11.04 H new ATOM 0 HG2 GLU A 63 -3.142 -8.281 1.427 1.00 71.13 H new ATOM 0 HG3 GLU A 63 -4.364 -9.527 1.589 1.00 71.13 H new ATOM 979 N VAL A 64 -5.201 -5.885 -2.130 1.00 73.44 N ATOM 980 CA VAL A 64 -4.791 -4.961 -3.180 1.00 43.32 C ATOM 981 C VAL A 64 -5.027 -3.514 -2.761 1.00 41.15 C ATOM 982 O VAL A 64 -4.119 -2.684 -2.818 1.00 21.42 O ATOM 983 CB VAL A 64 -5.546 -5.233 -4.495 1.00 3.12 C ATOM 984 CG1 VAL A 64 -5.214 -4.170 -5.531 1.00 53.21 C ATOM 985 CG2 VAL A 64 -5.217 -6.622 -5.020 1.00 25.10 C ATOM 0 H VAL A 64 -6.125 -6.294 -2.266 1.00 73.44 H new ATOM 0 HA VAL A 64 -3.725 -5.120 -3.343 1.00 43.32 H new ATOM 0 HB VAL A 64 -6.617 -5.189 -4.295 1.00 3.12 H new ATOM 0 HG11 VAL A 64 -5.756 -4.379 -6.453 1.00 53.21 H new ATOM 0 HG12 VAL A 64 -5.505 -3.190 -5.153 1.00 53.21 H new ATOM 0 HG13 VAL A 64 -4.142 -4.179 -5.731 1.00 53.21 H new ATOM 0 HG21 VAL A 64 -5.759 -6.797 -5.949 1.00 25.10 H new ATOM 0 HG22 VAL A 64 -4.145 -6.697 -5.205 1.00 25.10 H new ATOM 0 HG23 VAL A 64 -5.511 -7.369 -4.282 1.00 25.10 H new ATOM 995 N ASP A 65 -6.252 -3.218 -2.341 1.00 62.11 N ATOM 996 CA ASP A 65 -6.608 -1.871 -1.911 1.00 20.03 C ATOM 997 C ASP A 65 -5.811 -1.467 -0.675 1.00 4.15 C ATOM 998 O ASP A 65 -6.109 -1.902 0.437 1.00 10.22 O ATOM 999 CB ASP A 65 -8.106 -1.786 -1.616 1.00 75.14 C ATOM 1000 CG ASP A 65 -8.678 -0.413 -1.912 1.00 24.22 C ATOM 1001 OD1 ASP A 65 -7.891 0.497 -2.247 1.00 51.41 O ATOM 1002 OD2 ASP A 65 -9.911 -0.249 -1.808 1.00 70.44 O ATOM 0 H ASP A 65 -7.015 -3.893 -2.289 1.00 62.11 H new ATOM 0 HA ASP A 65 -6.365 -1.182 -2.720 1.00 20.03 H new ATOM 0 HB2 ASP A 65 -8.633 -2.532 -2.211 1.00 75.14 H new ATOM 0 HB3 ASP A 65 -8.281 -2.031 -0.569 1.00 75.14 H new ATOM 1007 N GLU A 66 -4.795 -0.633 -0.878 1.00 31.41 N ATOM 1008 CA GLU A 66 -3.954 -0.173 0.221 1.00 40.14 C ATOM 1009 C GLU A 66 -4.723 0.778 1.133 1.00 51.20 C ATOM 1010 O GLU A 66 -4.445 0.869 2.329 1.00 41.12 O ATOM 1011 CB GLU A 66 -2.704 0.523 -0.322 1.00 22.21 C ATOM 1012 CG GLU A 66 -3.000 1.817 -1.061 1.00 63.12 C ATOM 1013 CD GLU A 66 -2.768 3.045 -0.203 1.00 13.23 C ATOM 1014 OE1 GLU A 66 -1.719 3.107 0.472 1.00 14.34 O ATOM 1015 OE2 GLU A 66 -3.635 3.944 -0.205 1.00 74.45 O ATOM 0 H GLU A 66 -4.535 -0.263 -1.792 1.00 31.41 H new ATOM 0 HA GLU A 66 -3.653 -1.043 0.804 1.00 40.14 H new ATOM 0 HB2 GLU A 66 -2.027 0.734 0.506 1.00 22.21 H new ATOM 0 HB3 GLU A 66 -2.182 -0.158 -0.994 1.00 22.21 H new ATOM 0 HG2 GLU A 66 -2.372 1.875 -1.950 1.00 63.12 H new ATOM 0 HG3 GLU A 66 -4.035 1.807 -1.403 1.00 63.12 H new ATOM 1022 N ASP A 67 -5.691 1.485 0.560 1.00 42.13 N ATOM 1023 CA ASP A 67 -6.501 2.429 1.320 1.00 11.41 C ATOM 1024 C ASP A 67 -7.789 1.772 1.807 1.00 62.23 C ATOM 1025 O ASP A 67 -8.537 2.354 2.590 1.00 33.15 O ATOM 1026 CB ASP A 67 -6.831 3.655 0.466 1.00 23.31 C ATOM 1027 CG ASP A 67 -7.366 3.280 -0.902 1.00 22.10 C ATOM 1028 OD1 ASP A 67 -8.469 2.698 -0.969 1.00 51.20 O ATOM 1029 OD2 ASP A 67 -6.682 3.569 -1.906 1.00 3.03 O ATOM 0 H ASP A 67 -5.934 1.422 -0.429 1.00 42.13 H new ATOM 0 HA ASP A 67 -5.925 2.746 2.189 1.00 11.41 H new ATOM 0 HB2 ASP A 67 -7.567 4.268 0.985 1.00 23.31 H new ATOM 0 HB3 ASP A 67 -5.935 4.264 0.348 1.00 23.31 H new ATOM 1034 N GLY A 68 -8.041 0.554 1.335 1.00 3.40 N ATOM 1035 CA GLY A 68 -9.239 -0.162 1.732 1.00 41.31 C ATOM 1036 C GLY A 68 -10.502 0.637 1.479 1.00 72.13 C ATOM 1037 O GLY A 68 -11.427 0.623 2.291 1.00 3.03 O ATOM 0 H GLY A 68 -7.437 0.051 0.685 1.00 3.40 H new ATOM 0 HA2 GLY A 68 -9.293 -1.104 1.186 1.00 41.31 H new ATOM 0 HA3 GLY A 68 -9.176 -0.410 2.791 1.00 41.31 H new ATOM 1041 N SER A 69 -10.542 1.337 0.349 1.00 22.52 N ATOM 1042 CA SER A 69 -11.699 2.149 -0.006 1.00 50.52 C ATOM 1043 C SER A 69 -12.858 1.272 -0.468 1.00 71.25 C ATOM 1044 O SER A 69 -14.010 1.703 -0.485 1.00 51.31 O ATOM 1045 CB SER A 69 -11.330 3.147 -1.106 1.00 3.13 C ATOM 1046 OG SER A 69 -10.759 2.487 -2.222 1.00 51.14 O ATOM 0 H SER A 69 -9.786 1.358 -0.336 1.00 22.52 H new ATOM 0 HA SER A 69 -12.013 2.697 0.882 1.00 50.52 H new ATOM 0 HB2 SER A 69 -12.220 3.694 -1.419 1.00 3.13 H new ATOM 0 HB3 SER A 69 -10.626 3.881 -0.714 1.00 3.13 H new ATOM 0 HG SER A 69 -9.782 2.510 -2.151 1.00 51.14 H new ATOM 1052 N GLY A 70 -12.543 0.036 -0.844 1.00 33.41 N ATOM 1053 CA GLY A 70 -13.568 -0.884 -1.302 1.00 31.32 C ATOM 1054 C GLY A 70 -13.561 -1.058 -2.808 1.00 5.24 C ATOM 1055 O GLY A 70 -14.418 -1.742 -3.366 1.00 74.42 O ATOM 0 H GLY A 70 -11.597 -0.344 -0.840 1.00 33.41 H new ATOM 0 HA2 GLY A 70 -13.420 -1.854 -0.827 1.00 31.32 H new ATOM 0 HA3 GLY A 70 -14.546 -0.520 -0.986 1.00 31.32 H new ATOM 1059 N THR A 71 -12.590 -0.435 -3.469 1.00 1.32 N ATOM 1060 CA THR A 71 -12.476 -0.521 -4.919 1.00 42.12 C ATOM 1061 C THR A 71 -11.020 -0.437 -5.362 1.00 44.21 C ATOM 1062 O THR A 71 -10.154 0.001 -4.604 1.00 62.20 O ATOM 1063 CB THR A 71 -13.277 0.597 -5.613 1.00 61.21 C ATOM 1064 OG1 THR A 71 -12.698 1.872 -5.315 1.00 0.10 O ATOM 1065 CG2 THR A 71 -14.731 0.577 -5.167 1.00 10.54 C ATOM 0 H THR A 71 -11.871 0.135 -3.023 1.00 1.32 H new ATOM 0 HA THR A 71 -12.887 -1.487 -5.211 1.00 42.12 H new ATOM 0 HB THR A 71 -13.241 0.426 -6.689 1.00 61.21 H new ATOM 0 HG1 THR A 71 -13.212 2.577 -5.761 1.00 0.10 H new ATOM 0 HG21 THR A 71 -15.277 1.375 -5.670 1.00 10.54 H new ATOM 0 HG22 THR A 71 -15.177 -0.384 -5.422 1.00 10.54 H new ATOM 0 HG23 THR A 71 -14.783 0.726 -4.088 1.00 10.54 H new ATOM 1073 N VAL A 72 -10.755 -0.858 -6.595 1.00 34.01 N ATOM 1074 CA VAL A 72 -9.403 -0.829 -7.140 1.00 14.53 C ATOM 1075 C VAL A 72 -9.218 0.353 -8.085 1.00 64.34 C ATOM 1076 O VAL A 72 -9.979 0.525 -9.037 1.00 74.11 O ATOM 1077 CB VAL A 72 -9.073 -2.131 -7.892 1.00 22.31 C ATOM 1078 CG1 VAL A 72 -8.017 -1.880 -8.958 1.00 1.55 C ATOM 1079 CG2 VAL A 72 -8.614 -3.206 -6.918 1.00 62.34 C ATOM 0 H VAL A 72 -11.460 -1.223 -7.236 1.00 34.01 H new ATOM 0 HA VAL A 72 -8.722 -0.725 -6.295 1.00 14.53 H new ATOM 0 HB VAL A 72 -9.978 -2.483 -8.387 1.00 22.31 H new ATOM 0 HG11 VAL A 72 -7.797 -2.812 -9.479 1.00 1.55 H new ATOM 0 HG12 VAL A 72 -8.388 -1.144 -9.672 1.00 1.55 H new ATOM 0 HG13 VAL A 72 -7.108 -1.504 -8.488 1.00 1.55 H new ATOM 0 HG21 VAL A 72 -8.385 -4.120 -7.466 1.00 62.34 H new ATOM 0 HG22 VAL A 72 -7.722 -2.864 -6.393 1.00 62.34 H new ATOM 0 HG23 VAL A 72 -9.406 -3.405 -6.196 1.00 62.34 H new ATOM 1089 N ASP A 73 -8.200 1.164 -7.817 1.00 71.44 N ATOM 1090 CA ASP A 73 -7.912 2.329 -8.646 1.00 34.14 C ATOM 1091 C ASP A 73 -6.817 2.017 -9.661 1.00 11.15 C ATOM 1092 O ASP A 73 -6.215 0.944 -9.630 1.00 23.25 O ATOM 1093 CB ASP A 73 -7.493 3.512 -7.771 1.00 71.42 C ATOM 1094 CG ASP A 73 -6.490 3.117 -6.705 1.00 34.40 C ATOM 1095 OD1 ASP A 73 -5.293 2.987 -7.035 1.00 43.11 O ATOM 1096 OD2 ASP A 73 -6.903 2.938 -5.540 1.00 70.32 O ATOM 0 H ASP A 73 -7.561 1.036 -7.033 1.00 71.44 H new ATOM 0 HA ASP A 73 -8.820 2.592 -9.189 1.00 34.14 H new ATOM 0 HB2 ASP A 73 -7.062 4.291 -8.400 1.00 71.42 H new ATOM 0 HB3 ASP A 73 -8.376 3.939 -7.295 1.00 71.42 H new ATOM 1101 N PHE A 74 -6.565 2.962 -10.560 1.00 42.12 N ATOM 1102 CA PHE A 74 -5.543 2.788 -11.586 1.00 74.43 C ATOM 1103 C PHE A 74 -4.192 2.460 -10.958 1.00 41.12 C ATOM 1104 O PHE A 74 -3.376 1.752 -11.549 1.00 1.31 O ATOM 1105 CB PHE A 74 -5.428 4.051 -12.441 1.00 52.33 C ATOM 1106 CG PHE A 74 -4.320 3.992 -13.453 1.00 24.41 C ATOM 1107 CD1 PHE A 74 -4.045 2.815 -14.131 1.00 74.20 C ATOM 1108 CD2 PHE A 74 -3.552 5.112 -13.726 1.00 51.32 C ATOM 1109 CE1 PHE A 74 -3.025 2.757 -15.062 1.00 13.13 C ATOM 1110 CE2 PHE A 74 -2.531 5.061 -14.656 1.00 62.33 C ATOM 1111 CZ PHE A 74 -2.268 3.882 -15.326 1.00 21.44 C ATOM 0 H PHE A 74 -7.054 3.856 -10.599 1.00 42.12 H new ATOM 0 HA PHE A 74 -5.840 1.954 -12.221 1.00 74.43 H new ATOM 0 HB2 PHE A 74 -6.373 4.217 -12.958 1.00 52.33 H new ATOM 0 HB3 PHE A 74 -5.267 4.909 -11.788 1.00 52.33 H new ATOM 0 HD1 PHE A 74 -4.635 1.933 -13.930 1.00 74.20 H new ATOM 0 HD2 PHE A 74 -3.754 6.037 -13.206 1.00 51.32 H new ATOM 0 HE1 PHE A 74 -2.820 1.833 -15.582 1.00 13.13 H new ATOM 0 HE2 PHE A 74 -1.940 5.942 -14.859 1.00 62.33 H new ATOM 0 HZ PHE A 74 -1.472 3.840 -16.055 1.00 21.44 H new ATOM 1121 N ASP A 75 -3.963 2.981 -9.758 1.00 23.43 N ATOM 1122 CA ASP A 75 -2.711 2.744 -9.048 1.00 21.20 C ATOM 1123 C ASP A 75 -2.628 1.301 -8.558 1.00 54.40 C ATOM 1124 O ASP A 75 -1.726 0.557 -8.940 1.00 53.24 O ATOM 1125 CB ASP A 75 -2.580 3.705 -7.866 1.00 14.33 C ATOM 1126 CG ASP A 75 -1.138 4.062 -7.566 1.00 24.42 C ATOM 1127 OD1 ASP A 75 -0.518 4.767 -8.389 1.00 23.21 O ATOM 1128 OD2 ASP A 75 -0.628 3.635 -6.508 1.00 71.54 O ATOM 0 H ASP A 75 -4.627 3.570 -9.256 1.00 23.43 H new ATOM 0 HA ASP A 75 -1.890 2.921 -9.743 1.00 21.20 H new ATOM 0 HB2 ASP A 75 -3.140 4.616 -8.079 1.00 14.33 H new ATOM 0 HB3 ASP A 75 -3.030 3.253 -6.982 1.00 14.33 H new ATOM 1133 N GLU A 76 -3.576 0.915 -7.709 1.00 43.00 N ATOM 1134 CA GLU A 76 -3.608 -0.438 -7.166 1.00 1.23 C ATOM 1135 C GLU A 76 -3.795 -1.466 -8.277 1.00 72.24 C ATOM 1136 O GLU A 76 -3.335 -2.603 -8.169 1.00 74.03 O ATOM 1137 CB GLU A 76 -4.733 -0.571 -6.137 1.00 71.54 C ATOM 1138 CG GLU A 76 -4.505 0.244 -4.876 1.00 1.21 C ATOM 1139 CD GLU A 76 -5.801 0.703 -4.235 1.00 65.24 C ATOM 1140 OE1 GLU A 76 -6.874 0.232 -4.664 1.00 74.15 O ATOM 1141 OE2 GLU A 76 -5.740 1.533 -3.304 1.00 42.03 O ATOM 0 H GLU A 76 -4.331 1.519 -7.383 1.00 43.00 H new ATOM 0 HA GLU A 76 -2.653 -0.629 -6.676 1.00 1.23 H new ATOM 0 HB2 GLU A 76 -5.672 -0.260 -6.596 1.00 71.54 H new ATOM 0 HB3 GLU A 76 -4.843 -1.621 -5.866 1.00 71.54 H new ATOM 0 HG2 GLU A 76 -3.941 -0.353 -4.159 1.00 1.21 H new ATOM 0 HG3 GLU A 76 -3.895 1.115 -5.116 1.00 1.21 H new ATOM 1148 N TRP A 77 -4.473 -1.059 -9.344 1.00 14.51 N ATOM 1149 CA TRP A 77 -4.723 -1.944 -10.476 1.00 25.35 C ATOM 1150 C TRP A 77 -3.427 -2.261 -11.215 1.00 10.25 C ATOM 1151 O TRP A 77 -3.087 -3.427 -11.420 1.00 41.32 O ATOM 1152 CB TRP A 77 -5.729 -1.308 -11.435 1.00 74.44 C ATOM 1153 CG TRP A 77 -6.257 -2.265 -12.462 1.00 15.44 C ATOM 1154 CD1 TRP A 77 -7.439 -2.948 -12.414 1.00 11.31 C ATOM 1155 CD2 TRP A 77 -5.621 -2.645 -13.686 1.00 51.35 C ATOM 1156 NE1 TRP A 77 -7.576 -3.730 -13.536 1.00 4.44 N ATOM 1157 CE2 TRP A 77 -6.474 -3.561 -14.332 1.00 52.03 C ATOM 1158 CE3 TRP A 77 -4.415 -2.299 -14.302 1.00 0.14 C ATOM 1159 CZ2 TRP A 77 -6.157 -4.134 -15.561 1.00 20.53 C ATOM 1160 CZ3 TRP A 77 -4.101 -2.869 -15.521 1.00 34.24 C ATOM 1161 CH2 TRP A 77 -4.970 -3.778 -16.140 1.00 44.01 C ATOM 0 H TRP A 77 -4.860 -0.121 -9.449 1.00 14.51 H new ATOM 0 HA TRP A 77 -5.138 -2.876 -10.092 1.00 25.35 H new ATOM 0 HB2 TRP A 77 -6.563 -0.906 -10.861 1.00 74.44 H new ATOM 0 HB3 TRP A 77 -5.256 -0.467 -11.942 1.00 74.44 H new ATOM 0 HD1 TRP A 77 -8.160 -2.883 -11.612 1.00 11.31 H new ATOM 0 HE1 TRP A 77 -8.369 -4.337 -13.742 1.00 4.44 H new ATOM 0 HE3 TRP A 77 -3.740 -1.598 -13.833 1.00 0.14 H new ATOM 0 HZ2 TRP A 77 -6.825 -4.835 -16.040 1.00 20.53 H new ATOM 0 HZ3 TRP A 77 -3.171 -2.610 -16.005 1.00 34.24 H new ATOM 0 HH2 TRP A 77 -4.697 -4.206 -17.093 1.00 44.01 H new ATOM 1172 N LEU A 78 -2.707 -1.217 -11.612 1.00 34.24 N ATOM 1173 CA LEU A 78 -1.448 -1.385 -12.328 1.00 42.52 C ATOM 1174 C LEU A 78 -0.507 -2.312 -11.566 1.00 4.32 C ATOM 1175 O LEU A 78 0.018 -3.276 -12.123 1.00 30.00 O ATOM 1176 CB LEU A 78 -0.778 -0.027 -12.546 1.00 52.45 C ATOM 1177 CG LEU A 78 -0.169 0.207 -13.929 1.00 63.33 C ATOM 1178 CD1 LEU A 78 -0.050 1.695 -14.216 1.00 53.42 C ATOM 1179 CD2 LEU A 78 1.191 -0.468 -14.033 1.00 62.24 C ATOM 0 H LEU A 78 -2.974 -0.246 -11.450 1.00 34.24 H new ATOM 0 HA LEU A 78 -1.667 -1.836 -13.296 1.00 42.52 H new ATOM 0 HB2 LEU A 78 -1.515 0.754 -12.359 1.00 52.45 H new ATOM 0 HB3 LEU A 78 0.008 0.092 -11.800 1.00 52.45 H new ATOM 0 HG LEU A 78 -0.830 -0.234 -14.675 1.00 63.33 H new ATOM 0 HD11 LEU A 78 0.385 1.841 -15.204 1.00 53.42 H new ATOM 0 HD12 LEU A 78 -1.039 2.152 -14.184 1.00 53.42 H new ATOM 0 HD13 LEU A 78 0.589 2.160 -13.466 1.00 53.42 H new ATOM 0 HD21 LEU A 78 1.610 -0.291 -15.024 1.00 62.24 H new ATOM 0 HD22 LEU A 78 1.860 -0.057 -13.277 1.00 62.24 H new ATOM 0 HD23 LEU A 78 1.078 -1.540 -13.873 1.00 62.24 H new ATOM 1191 N VAL A 79 -0.299 -2.014 -10.287 1.00 64.20 N ATOM 1192 CA VAL A 79 0.577 -2.823 -9.447 1.00 15.24 C ATOM 1193 C VAL A 79 0.050 -4.247 -9.315 1.00 74.30 C ATOM 1194 O VAL A 79 0.819 -5.189 -9.126 1.00 73.21 O ATOM 1195 CB VAL A 79 0.727 -2.211 -8.041 1.00 42.11 C ATOM 1196 CG1 VAL A 79 -0.605 -2.225 -7.307 1.00 40.51 C ATOM 1197 CG2 VAL A 79 1.790 -2.955 -7.248 1.00 22.54 C ATOM 0 H VAL A 79 -0.725 -1.219 -9.810 1.00 64.20 H new ATOM 0 HA VAL A 79 1.552 -2.843 -9.933 1.00 15.24 H new ATOM 0 HB VAL A 79 1.044 -1.174 -8.147 1.00 42.11 H new ATOM 0 HG11 VAL A 79 -0.479 -1.789 -6.316 1.00 40.51 H new ATOM 0 HG12 VAL A 79 -1.336 -1.644 -7.869 1.00 40.51 H new ATOM 0 HG13 VAL A 79 -0.956 -3.252 -7.209 1.00 40.51 H new ATOM 0 HG21 VAL A 79 1.883 -2.510 -6.257 1.00 22.54 H new ATOM 0 HG22 VAL A 79 1.504 -4.002 -7.150 1.00 22.54 H new ATOM 0 HG23 VAL A 79 2.746 -2.887 -7.768 1.00 22.54 H new ATOM 1207 N MET A 80 -1.267 -4.397 -9.417 1.00 20.13 N ATOM 1208 CA MET A 80 -1.897 -5.708 -9.311 1.00 10.04 C ATOM 1209 C MET A 80 -1.303 -6.680 -10.325 1.00 74.12 C ATOM 1210 O MET A 80 -0.964 -7.814 -9.987 1.00 54.23 O ATOM 1211 CB MET A 80 -3.408 -5.590 -9.523 1.00 25.30 C ATOM 1212 CG MET A 80 -4.191 -6.778 -8.988 1.00 62.22 C ATOM 1213 SD MET A 80 -5.756 -7.023 -9.850 1.00 3.13 S ATOM 1214 CE MET A 80 -6.292 -5.328 -10.066 1.00 42.41 C ATOM 0 H MET A 80 -1.918 -3.627 -9.573 1.00 20.13 H new ATOM 0 HA MET A 80 -1.707 -6.095 -8.310 1.00 10.04 H new ATOM 0 HB2 MET A 80 -3.765 -4.682 -9.038 1.00 25.30 H new ATOM 0 HB3 MET A 80 -3.610 -5.482 -10.589 1.00 25.30 H new ATOM 0 HG2 MET A 80 -3.585 -7.679 -9.080 1.00 62.22 H new ATOM 0 HG3 MET A 80 -4.385 -6.632 -7.925 1.00 62.22 H new ATOM 0 HE1 MET A 80 -7.366 -5.307 -10.249 1.00 42.41 H new ATOM 0 HE2 MET A 80 -6.066 -4.757 -9.165 1.00 42.41 H new ATOM 0 HE3 MET A 80 -5.771 -4.887 -10.916 1.00 42.41 H new ATOM 1224 N MET A 81 -1.181 -6.229 -11.569 1.00 51.32 N ATOM 1225 CA MET A 81 -0.627 -7.059 -12.632 1.00 73.42 C ATOM 1226 C MET A 81 0.848 -7.354 -12.379 1.00 72.13 C ATOM 1227 O MET A 81 1.293 -8.495 -12.503 1.00 55.25 O ATOM 1228 CB MET A 81 -0.797 -6.371 -13.988 1.00 3.53 C ATOM 1229 CG MET A 81 -0.950 -7.341 -15.148 1.00 12.14 C ATOM 1230 SD MET A 81 -2.602 -8.059 -15.239 1.00 3.15 S ATOM 1231 CE MET A 81 -3.596 -6.591 -15.494 1.00 5.23 C ATOM 0 H MET A 81 -1.458 -5.293 -11.866 1.00 51.32 H new ATOM 0 HA MET A 81 -1.171 -8.003 -12.642 1.00 73.42 H new ATOM 0 HB2 MET A 81 -1.672 -5.723 -13.950 1.00 3.53 H new ATOM 0 HB3 MET A 81 0.066 -5.731 -14.172 1.00 3.53 H new ATOM 0 HG2 MET A 81 -0.731 -6.822 -16.082 1.00 12.14 H new ATOM 0 HG3 MET A 81 -0.216 -8.140 -15.048 1.00 12.14 H new ATOM 0 HE1 MET A 81 -4.337 -6.784 -16.270 1.00 5.23 H new ATOM 0 HE2 MET A 81 -4.103 -6.329 -14.565 1.00 5.23 H new ATOM 0 HE3 MET A 81 -2.954 -5.766 -15.802 1.00 5.23 H new ATOM 1241 N ALA A 82 1.601 -6.318 -12.024 1.00 62.44 N ATOM 1242 CA ALA A 82 3.025 -6.467 -11.753 1.00 25.44 C ATOM 1243 C ALA A 82 3.274 -7.547 -10.704 1.00 44.35 C ATOM 1244 O ALA A 82 4.291 -8.239 -10.743 1.00 24.44 O ATOM 1245 CB ALA A 82 3.618 -5.141 -11.298 1.00 74.44 C ATOM 0 H ALA A 82 1.248 -5.367 -11.917 1.00 62.44 H new ATOM 0 HA ALA A 82 3.515 -6.774 -12.677 1.00 25.44 H new ATOM 0 HB1 ALA A 82 4.682 -5.267 -11.099 1.00 74.44 H new ATOM 0 HB2 ALA A 82 3.481 -4.394 -12.080 1.00 74.44 H new ATOM 0 HB3 ALA A 82 3.116 -4.811 -10.389 1.00 74.44 H new ATOM 1251 N ARG A 83 2.340 -7.684 -9.769 1.00 40.34 N ATOM 1252 CA ARG A 83 2.460 -8.678 -8.710 1.00 14.23 C ATOM 1253 C ARG A 83 2.463 -10.090 -9.287 1.00 65.22 C ATOM 1254 O ARG A 83 2.992 -11.020 -8.676 1.00 54.01 O ATOM 1255 CB ARG A 83 1.312 -8.528 -7.709 1.00 5.23 C ATOM 1256 CG ARG A 83 1.233 -9.662 -6.700 1.00 13.55 C ATOM 1257 CD ARG A 83 0.032 -9.505 -5.780 1.00 11.04 C ATOM 1258 NE ARG A 83 -0.579 -10.791 -5.453 1.00 50.24 N ATOM 1259 CZ ARG A 83 -1.772 -10.914 -4.882 1.00 3.32 C ATOM 1260 NH1 ARG A 83 -2.478 -9.834 -4.575 1.00 71.42 N ATOM 1261 NH2 ARG A 83 -2.260 -12.118 -4.616 1.00 75.41 N ATOM 0 H ARG A 83 1.492 -7.119 -9.723 1.00 40.34 H new ATOM 0 HA ARG A 83 3.407 -8.512 -8.196 1.00 14.23 H new ATOM 0 HB2 ARG A 83 1.428 -7.585 -7.175 1.00 5.23 H new ATOM 0 HB3 ARG A 83 0.370 -8.472 -8.255 1.00 5.23 H new ATOM 0 HG2 ARG A 83 1.168 -10.615 -7.226 1.00 13.55 H new ATOM 0 HG3 ARG A 83 2.147 -9.687 -6.106 1.00 13.55 H new ATOM 0 HD2 ARG A 83 0.342 -9.007 -4.861 1.00 11.04 H new ATOM 0 HD3 ARG A 83 -0.708 -8.863 -6.257 1.00 11.04 H new ATOM 0 HE ARG A 83 -0.061 -11.641 -5.675 1.00 50.24 H new ATOM 0 HH11 ARG A 83 -2.105 -8.906 -4.777 1.00 71.42 H new ATOM 0 HH12 ARG A 83 -3.394 -9.931 -4.137 1.00 71.42 H new ATOM 0 HH21 ARG A 83 -1.719 -12.951 -4.850 1.00 75.41 H new ATOM 0 HH22 ARG A 83 -3.176 -12.211 -4.177 1.00 75.41 H new ATOM 1275 N CYS A 84 1.871 -10.243 -10.466 1.00 62.13 N ATOM 1276 CA CYS A 84 1.805 -11.542 -11.126 1.00 20.40 C ATOM 1277 C CYS A 84 3.182 -11.971 -11.622 1.00 61.11 C ATOM 1278 O CYS A 84 3.420 -13.150 -11.882 1.00 33.35 O ATOM 1279 CB CYS A 84 0.820 -11.494 -12.295 1.00 64.42 C ATOM 1280 SG CYS A 84 0.325 -13.121 -12.910 1.00 50.13 S ATOM 0 H CYS A 84 1.430 -9.484 -10.985 1.00 62.13 H new ATOM 0 HA CYS A 84 1.457 -12.275 -10.398 1.00 20.40 H new ATOM 0 HB2 CYS A 84 -0.071 -10.949 -11.983 1.00 64.42 H new ATOM 0 HB3 CYS A 84 1.270 -10.930 -13.112 1.00 64.42 H new ATOM 0 HG CYS A 84 -0.510 -12.977 -13.896 1.00 50.13 H new ATOM 1286 N MET A 85 4.085 -11.005 -11.753 1.00 42.11 N ATOM 1287 CA MET A 85 5.439 -11.283 -12.219 1.00 11.20 C ATOM 1288 C MET A 85 6.263 -11.956 -11.126 1.00 34.12 C ATOM 1289 O MET A 85 7.040 -12.872 -11.395 1.00 32.31 O ATOM 1290 CB MET A 85 6.123 -9.989 -12.666 1.00 20.42 C ATOM 1291 CG MET A 85 5.453 -9.329 -13.859 1.00 40.45 C ATOM 1292 SD MET A 85 5.580 -10.317 -15.362 1.00 41.33 S ATOM 1293 CE MET A 85 4.702 -9.277 -16.526 1.00 53.15 C ATOM 0 H MET A 85 3.904 -10.023 -11.543 1.00 42.11 H new ATOM 0 HA MET A 85 5.372 -11.962 -13.069 1.00 11.20 H new ATOM 0 HB2 MET A 85 6.135 -9.287 -11.832 1.00 20.42 H new ATOM 0 HB3 MET A 85 7.162 -10.204 -12.916 1.00 20.42 H new ATOM 0 HG2 MET A 85 4.401 -9.156 -13.630 1.00 40.45 H new ATOM 0 HG3 MET A 85 5.906 -8.353 -14.031 1.00 40.45 H new ATOM 0 HE1 MET A 85 4.694 -9.754 -17.506 1.00 53.15 H new ATOM 0 HE2 MET A 85 3.677 -9.133 -16.184 1.00 53.15 H new ATOM 0 HE3 MET A 85 5.200 -8.310 -16.597 1.00 53.15 H new