USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 695 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: C 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: C 81 MET CE :methyl -150:sc= -0.577 (180deg=-1.66) USER MOD Single : C 5 TYR OH : rot 30:sc= -0.469 USER MOD Single : C 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 11 GLN : amide:sc= -0.435 K(o=-0.44,f=-2.7!) USER MOD Single : C 13 THR OG1 : rot 180:sc= -0.425 USER MOD Single : C 16 GLN : amide:sc= -15.4! C(o=-15!,f=-20!) USER MOD Single : C 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 ASN : amide:sc= 0.00557 X(o=0.0056,f=-0.15) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 CYS SG : rot 84:sc= -1.38! USER MOD Single : C 37 SER OG : rot 180:sc= 0 USER MOD Single : C 38 THR OG1 : rot 180:sc= -0.0247 USER MOD Single : C 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 45 MET CE :methyl -171:sc= -3.05! (180deg=-3.42) USER MOD Single : C 47 MET CE :methyl 132:sc= -0.317 (180deg=-0.826) USER MOD Single : C 50 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : C 51 ASN : amide:sc= -0.0996 X(o=-0.1,f=-0.13) USER MOD Single : C 53 THR OG1 : rot 180:sc= 0 USER MOD Single : C 58 GLN : amide:sc= -0.976! X(o=-0.98!,f=-1.2) USER MOD Single : C 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 69 SER OG : rot 180:sc= -1.47 USER MOD Single : C 71 THR OG1 : rot 180:sc=-0.000919 USER MOD Single : C 84 CYS SG : rot 80:sc= 0.0355 USER MOD Single : C 85 MET CE :methyl -114:sc= -1.56 (180deg=-5.75!) USER MOD Single : C 86 LYS NZ :NH3+ -136:sc=-0.00812 (180deg=-1.58!) USER MOD Single : I 149 SER OG : rot 180:sc= 0 USER MOD Single : I 153 MET CE :methyl 159:sc= -0.453 (180deg=-1.9!) USER MOD Single : I 154 MET CE :methyl -113:sc= -0.298 (180deg=-1.39!) USER MOD Single : I 155 GLN : amide:sc= -0.263 X(o=-0.26,f=-0.051) USER MOD ----------------------------------------------------------------- ATOM 63 N TYR C 5 85.930 -15.830 -0.339 1.00 0.00 N ATOM 64 CA TYR C 5 85.659 -14.503 0.204 1.00 0.00 C ATOM 65 C TYR C 5 84.750 -14.610 1.422 1.00 0.00 C ATOM 66 O TYR C 5 85.011 -14.013 2.467 1.00 0.00 O ATOM 67 CB TYR C 5 84.981 -13.620 -0.845 1.00 0.00 C ATOM 68 CG TYR C 5 85.920 -13.399 -2.006 1.00 0.00 C ATOM 69 CD1 TYR C 5 85.946 -14.311 -3.068 1.00 0.00 C ATOM 70 CD2 TYR C 5 86.764 -12.282 -2.020 1.00 0.00 C ATOM 71 CE1 TYR C 5 86.816 -14.105 -4.145 1.00 0.00 C ATOM 72 CE2 TYR C 5 87.633 -12.077 -3.098 1.00 0.00 C ATOM 73 CZ TYR C 5 87.660 -12.989 -4.159 1.00 0.00 C ATOM 74 OH TYR C 5 88.517 -12.786 -5.221 1.00 0.00 O ATOM 0 HA TYR C 5 86.610 -14.055 0.492 1.00 0.00 H new ATOM 0 HB2 TYR C 5 84.062 -14.092 -1.193 1.00 0.00 H new ATOM 0 HB3 TYR C 5 84.701 -12.663 -0.404 1.00 0.00 H new ATOM 0 HD1 TYR C 5 85.295 -15.173 -3.056 1.00 0.00 H new ATOM 0 HD2 TYR C 5 86.745 -11.579 -1.200 1.00 0.00 H new ATOM 0 HE1 TYR C 5 86.836 -14.807 -4.965 1.00 0.00 H new ATOM 0 HE2 TYR C 5 88.283 -11.215 -3.111 1.00 0.00 H new ATOM 0 HH TYR C 5 88.124 -13.163 -6.035 1.00 0.00 H new ATOM 84 N LYS C 6 83.677 -15.382 1.274 1.00 0.00 N ATOM 85 CA LYS C 6 82.729 -15.569 2.367 1.00 0.00 C ATOM 86 C LYS C 6 83.472 -15.746 3.687 1.00 0.00 C ATOM 87 O LYS C 6 83.312 -14.957 4.618 1.00 0.00 O ATOM 88 CB LYS C 6 81.856 -16.801 2.115 1.00 0.00 C ATOM 89 CG LYS C 6 80.837 -16.490 1.018 1.00 0.00 C ATOM 90 CD LYS C 6 79.615 -15.804 1.633 1.00 0.00 C ATOM 91 CE LYS C 6 78.605 -16.863 2.081 1.00 0.00 C ATOM 92 NZ LYS C 6 77.923 -16.403 3.323 1.00 0.00 N ATOM 0 H LYS C 6 83.444 -15.883 0.417 1.00 0.00 H new ATOM 0 HA LYS C 6 82.096 -14.683 2.421 1.00 0.00 H new ATOM 0 HB2 LYS C 6 82.478 -17.646 1.819 1.00 0.00 H new ATOM 0 HB3 LYS C 6 81.342 -17.089 3.032 1.00 0.00 H new ATOM 0 HG2 LYS C 6 81.286 -15.846 0.262 1.00 0.00 H new ATOM 0 HG3 LYS C 6 80.536 -17.409 0.516 1.00 0.00 H new ATOM 0 HD2 LYS C 6 79.918 -15.193 2.483 1.00 0.00 H new ATOM 0 HD3 LYS C 6 79.157 -15.134 0.906 1.00 0.00 H new ATOM 0 HE2 LYS C 6 77.872 -17.038 1.294 1.00 0.00 H new ATOM 0 HE3 LYS C 6 79.112 -17.811 2.261 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 77.236 -17.122 3.629 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 78.629 -16.257 4.073 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 77.427 -15.508 3.136 1.00 0.00 H new ATOM 106 N ALA C 7 84.289 -16.793 3.755 1.00 0.00 N ATOM 107 CA ALA C 7 85.058 -17.071 4.964 1.00 0.00 C ATOM 108 C ALA C 7 85.665 -15.786 5.517 1.00 0.00 C ATOM 109 O ALA C 7 85.331 -15.349 6.619 1.00 0.00 O ATOM 110 CB ALA C 7 86.180 -18.066 4.667 1.00 0.00 C ATOM 0 H ALA C 7 84.435 -17.457 2.995 1.00 0.00 H new ATOM 0 HA ALA C 7 84.381 -17.499 5.703 1.00 0.00 H new ATOM 0 HB1 ALA C 7 86.743 -18.262 5.579 1.00 0.00 H new ATOM 0 HB2 ALA C 7 85.752 -18.998 4.298 1.00 0.00 H new ATOM 0 HB3 ALA C 7 86.846 -17.649 3.912 1.00 0.00 H new ATOM 116 N ALA C 8 86.560 -15.184 4.739 1.00 0.00 N ATOM 117 CA ALA C 8 87.210 -13.947 5.162 1.00 0.00 C ATOM 118 C ALA C 8 86.169 -12.940 5.638 1.00 0.00 C ATOM 119 O ALA C 8 86.317 -12.322 6.692 1.00 0.00 O ATOM 120 CB ALA C 8 88.004 -13.335 4.007 1.00 0.00 C ATOM 0 H ALA C 8 86.849 -15.527 3.823 1.00 0.00 H new ATOM 0 HA ALA C 8 87.890 -14.185 5.980 1.00 0.00 H new ATOM 0 HB1 ALA C 8 88.481 -12.414 4.341 1.00 0.00 H new ATOM 0 HB2 ALA C 8 88.767 -14.040 3.676 1.00 0.00 H new ATOM 0 HB3 ALA C 8 87.330 -13.115 3.179 1.00 0.00 H new ATOM 126 N VAL C 9 85.111 -12.786 4.847 1.00 0.00 N ATOM 127 CA VAL C 9 84.042 -11.853 5.192 1.00 0.00 C ATOM 128 C VAL C 9 83.303 -12.329 6.437 1.00 0.00 C ATOM 129 O VAL C 9 82.693 -11.537 7.155 1.00 0.00 O ATOM 130 CB VAL C 9 83.043 -11.733 4.042 1.00 0.00 C ATOM 131 CG1 VAL C 9 81.843 -10.902 4.498 1.00 0.00 C ATOM 132 CG2 VAL C 9 83.716 -11.049 2.850 1.00 0.00 C ATOM 0 H VAL C 9 84.971 -13.290 3.971 1.00 0.00 H new ATOM 0 HA VAL C 9 84.495 -10.880 5.384 1.00 0.00 H new ATOM 0 HB VAL C 9 82.706 -12.727 3.746 1.00 0.00 H new ATOM 0 HG11 VAL C 9 81.129 -10.815 3.679 1.00 0.00 H new ATOM 0 HG12 VAL C 9 81.364 -11.390 5.347 1.00 0.00 H new ATOM 0 HG13 VAL C 9 82.180 -9.908 4.793 1.00 0.00 H new ATOM 0 HG21 VAL C 9 83.003 -10.963 2.030 1.00 0.00 H new ATOM 0 HG22 VAL C 9 84.053 -10.055 3.144 1.00 0.00 H new ATOM 0 HG23 VAL C 9 84.572 -11.641 2.527 1.00 0.00 H new ATOM 142 N GLU C 10 83.367 -13.633 6.686 1.00 0.00 N ATOM 143 CA GLU C 10 82.701 -14.207 7.850 1.00 0.00 C ATOM 144 C GLU C 10 83.529 -13.948 9.102 1.00 0.00 C ATOM 145 O GLU C 10 83.003 -13.562 10.146 1.00 0.00 O ATOM 146 CB GLU C 10 82.510 -15.714 7.674 1.00 0.00 C ATOM 147 CG GLU C 10 81.591 -15.975 6.478 1.00 0.00 C ATOM 148 CD GLU C 10 80.323 -16.676 6.954 1.00 0.00 C ATOM 149 OE1 GLU C 10 79.442 -15.993 7.449 1.00 0.00 O ATOM 150 OE2 GLU C 10 80.252 -17.886 6.816 1.00 0.00 O ATOM 0 H GLU C 10 83.867 -14.306 6.105 1.00 0.00 H new ATOM 0 HA GLU C 10 81.723 -13.736 7.952 1.00 0.00 H new ATOM 0 HB2 GLU C 10 83.474 -16.198 7.518 1.00 0.00 H new ATOM 0 HB3 GLU C 10 82.080 -16.145 8.578 1.00 0.00 H new ATOM 0 HG2 GLU C 10 81.337 -15.035 5.989 1.00 0.00 H new ATOM 0 HG3 GLU C 10 82.104 -16.591 5.739 1.00 0.00 H new ATOM 157 N GLN C 11 84.837 -14.149 8.977 1.00 0.00 N ATOM 158 CA GLN C 11 85.741 -13.920 10.097 1.00 0.00 C ATOM 159 C GLN C 11 85.449 -12.566 10.721 1.00 0.00 C ATOM 160 O GLN C 11 85.408 -12.418 11.942 1.00 0.00 O ATOM 161 CB GLN C 11 87.193 -13.925 9.623 1.00 0.00 C ATOM 162 CG GLN C 11 87.625 -15.355 9.287 1.00 0.00 C ATOM 163 CD GLN C 11 88.682 -15.812 10.286 1.00 0.00 C ATOM 164 OE1 GLN C 11 88.868 -15.189 11.332 1.00 0.00 O ATOM 165 NE2 GLN C 11 89.394 -16.875 10.026 1.00 0.00 N ATOM 0 H GLN C 11 85.291 -14.467 8.120 1.00 0.00 H new ATOM 0 HA GLN C 11 85.590 -14.717 10.825 1.00 0.00 H new ATOM 0 HB2 GLN C 11 87.301 -13.287 8.746 1.00 0.00 H new ATOM 0 HB3 GLN C 11 87.839 -13.513 10.398 1.00 0.00 H new ATOM 0 HG2 GLN C 11 86.765 -16.024 9.319 1.00 0.00 H new ATOM 0 HG3 GLN C 11 88.024 -15.398 8.274 1.00 0.00 H new ATOM 0 HE21 GLN C 11 89.241 -17.392 9.160 1.00 0.00 H new ATOM 0 HE22 GLN C 11 90.103 -17.188 10.689 1.00 0.00 H new ATOM 174 N LEU C 12 85.256 -11.576 9.856 1.00 0.00 N ATOM 175 CA LEU C 12 84.978 -10.225 10.316 1.00 0.00 C ATOM 176 C LEU C 12 83.805 -10.222 11.289 1.00 0.00 C ATOM 177 O LEU C 12 82.773 -10.846 11.044 1.00 0.00 O ATOM 178 CB LEU C 12 84.647 -9.305 9.136 1.00 0.00 C ATOM 179 CG LEU C 12 85.844 -9.214 8.180 1.00 0.00 C ATOM 180 CD1 LEU C 12 85.727 -7.942 7.336 1.00 0.00 C ATOM 181 CD2 LEU C 12 87.151 -9.167 8.981 1.00 0.00 C ATOM 0 H LEU C 12 85.287 -11.684 8.842 1.00 0.00 H new ATOM 0 HA LEU C 12 85.872 -9.857 10.820 1.00 0.00 H new ATOM 0 HB2 LEU C 12 83.775 -9.685 8.603 1.00 0.00 H new ATOM 0 HB3 LEU C 12 84.389 -8.311 9.502 1.00 0.00 H new ATOM 0 HG LEU C 12 85.849 -10.090 7.531 1.00 0.00 H new ATOM 0 HD11 LEU C 12 86.577 -7.877 6.657 1.00 0.00 H new ATOM 0 HD12 LEU C 12 84.803 -7.972 6.759 1.00 0.00 H new ATOM 0 HD13 LEU C 12 85.718 -7.071 7.991 1.00 0.00 H new ATOM 0 HD21 LEU C 12 87.996 -9.102 8.295 1.00 0.00 H new ATOM 0 HD22 LEU C 12 87.146 -8.294 9.634 1.00 0.00 H new ATOM 0 HD23 LEU C 12 87.241 -10.071 9.584 1.00 0.00 H new ATOM 193 N THR C 13 83.977 -9.508 12.395 1.00 0.00 N ATOM 194 CA THR C 13 82.926 -9.421 13.404 1.00 0.00 C ATOM 195 C THR C 13 81.904 -8.361 13.010 1.00 0.00 C ATOM 196 O THR C 13 82.244 -7.349 12.397 1.00 0.00 O ATOM 197 CB THR C 13 83.523 -9.057 14.764 1.00 0.00 C ATOM 198 OG1 THR C 13 83.737 -7.653 14.824 1.00 0.00 O ATOM 199 CG2 THR C 13 84.853 -9.788 14.950 1.00 0.00 C ATOM 0 H THR C 13 84.825 -8.985 12.616 1.00 0.00 H new ATOM 0 HA THR C 13 82.437 -10.393 13.471 1.00 0.00 H new ATOM 0 HB THR C 13 82.835 -9.353 15.556 1.00 0.00 H new ATOM 0 HG1 THR C 13 84.118 -7.417 15.696 1.00 0.00 H new ATOM 0 HG21 THR C 13 85.278 -9.528 15.919 1.00 0.00 H new ATOM 0 HG22 THR C 13 84.686 -10.864 14.903 1.00 0.00 H new ATOM 0 HG23 THR C 13 85.544 -9.493 14.160 1.00 0.00 H new ATOM 207 N GLU C 14 80.647 -8.604 13.368 1.00 0.00 N ATOM 208 CA GLU C 14 79.582 -7.659 13.044 1.00 0.00 C ATOM 209 C GLU C 14 80.074 -6.226 13.226 1.00 0.00 C ATOM 210 O GLU C 14 79.628 -5.309 12.537 1.00 0.00 O ATOM 211 CB GLU C 14 78.366 -7.889 13.943 1.00 0.00 C ATOM 212 CG GLU C 14 77.118 -8.077 13.077 1.00 0.00 C ATOM 213 CD GLU C 14 76.947 -9.556 12.746 1.00 0.00 C ATOM 214 OE1 GLU C 14 77.559 -10.368 13.419 1.00 0.00 O ATOM 215 OE2 GLU C 14 76.204 -9.854 11.824 1.00 0.00 O ATOM 0 H GLU C 14 80.343 -9.435 13.875 1.00 0.00 H new ATOM 0 HA GLU C 14 79.295 -7.817 12.005 1.00 0.00 H new ATOM 0 HB2 GLU C 14 78.524 -8.768 14.568 1.00 0.00 H new ATOM 0 HB3 GLU C 14 78.231 -7.041 14.614 1.00 0.00 H new ATOM 0 HG2 GLU C 14 76.238 -7.707 13.603 1.00 0.00 H new ATOM 0 HG3 GLU C 14 77.208 -7.496 12.159 1.00 0.00 H new ATOM 222 N GLU C 15 81.002 -6.046 14.162 1.00 0.00 N ATOM 223 CA GLU C 15 81.553 -4.720 14.427 1.00 0.00 C ATOM 224 C GLU C 15 82.206 -4.160 13.168 1.00 0.00 C ATOM 225 O GLU C 15 81.676 -3.251 12.530 1.00 0.00 O ATOM 226 CB GLU C 15 82.596 -4.787 15.544 1.00 0.00 C ATOM 227 CG GLU C 15 81.980 -5.454 16.777 1.00 0.00 C ATOM 228 CD GLU C 15 82.041 -4.498 17.965 1.00 0.00 C ATOM 229 OE1 GLU C 15 82.350 -3.337 17.754 1.00 0.00 O ATOM 230 OE2 GLU C 15 81.776 -4.942 19.070 1.00 0.00 O ATOM 0 H GLU C 15 81.385 -6.792 14.743 1.00 0.00 H new ATOM 0 HA GLU C 15 80.736 -4.068 14.736 1.00 0.00 H new ATOM 0 HB2 GLU C 15 83.467 -5.350 15.210 1.00 0.00 H new ATOM 0 HB3 GLU C 15 82.942 -3.784 15.794 1.00 0.00 H new ATOM 0 HG2 GLU C 15 80.946 -5.731 16.574 1.00 0.00 H new ATOM 0 HG3 GLU C 15 82.516 -6.374 17.010 1.00 0.00 H new ATOM 237 N GLN C 16 83.360 -4.719 12.814 1.00 0.00 N ATOM 238 CA GLN C 16 84.073 -4.272 11.623 1.00 0.00 C ATOM 239 C GLN C 16 83.084 -4.085 10.474 1.00 0.00 C ATOM 240 O GLN C 16 83.215 -3.175 9.656 1.00 0.00 O ATOM 241 CB GLN C 16 85.174 -5.291 11.250 1.00 0.00 C ATOM 242 CG GLN C 16 84.935 -5.913 9.865 1.00 0.00 C ATOM 243 CD GLN C 16 85.354 -4.929 8.773 1.00 0.00 C ATOM 244 OE1 GLN C 16 85.473 -5.306 7.607 1.00 0.00 O ATOM 245 NE2 GLN C 16 85.586 -3.679 9.078 1.00 0.00 N ATOM 0 H GLN C 16 83.816 -5.473 13.328 1.00 0.00 H new ATOM 0 HA GLN C 16 84.554 -3.315 11.824 1.00 0.00 H new ATOM 0 HB2 GLN C 16 86.145 -4.797 11.263 1.00 0.00 H new ATOM 0 HB3 GLN C 16 85.208 -6.080 12.001 1.00 0.00 H new ATOM 0 HG2 GLN C 16 85.503 -6.839 9.770 1.00 0.00 H new ATOM 0 HG3 GLN C 16 83.882 -6.171 9.749 1.00 0.00 H new ATOM 0 HE21 GLN C 16 85.488 -3.363 10.043 1.00 0.00 H new ATOM 0 HE22 GLN C 16 85.865 -3.020 8.351 1.00 0.00 H new ATOM 254 N LYS C 17 82.091 -4.965 10.433 1.00 0.00 N ATOM 255 CA LYS C 17 81.070 -4.905 9.392 1.00 0.00 C ATOM 256 C LYS C 17 80.192 -3.674 9.585 1.00 0.00 C ATOM 257 O LYS C 17 80.031 -2.860 8.676 1.00 0.00 O ATOM 258 CB LYS C 17 80.190 -6.156 9.427 1.00 0.00 C ATOM 259 CG LYS C 17 81.074 -7.404 9.465 1.00 0.00 C ATOM 260 CD LYS C 17 81.664 -7.656 8.076 1.00 0.00 C ATOM 261 CE LYS C 17 81.610 -9.152 7.763 1.00 0.00 C ATOM 262 NZ LYS C 17 80.235 -9.517 7.321 1.00 0.00 N ATOM 0 H LYS C 17 81.970 -5.724 11.103 1.00 0.00 H new ATOM 0 HA LYS C 17 81.575 -4.848 8.428 1.00 0.00 H new ATOM 0 HB2 LYS C 17 79.540 -6.131 10.302 1.00 0.00 H new ATOM 0 HB3 LYS C 17 79.543 -6.183 8.550 1.00 0.00 H new ATOM 0 HG2 LYS C 17 81.874 -7.273 10.193 1.00 0.00 H new ATOM 0 HG3 LYS C 17 80.490 -8.267 9.785 1.00 0.00 H new ATOM 0 HD2 LYS C 17 81.106 -7.096 7.325 1.00 0.00 H new ATOM 0 HD3 LYS C 17 82.694 -7.302 8.037 1.00 0.00 H new ATOM 0 HE2 LYS C 17 82.331 -9.398 6.984 1.00 0.00 H new ATOM 0 HE3 LYS C 17 81.885 -9.729 8.646 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 80.197 -10.534 7.108 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 79.557 -9.297 8.078 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 79.989 -8.975 6.468 1.00 0.00 H new ATOM 276 N ASN C 18 79.628 -3.546 10.784 1.00 0.00 N ATOM 277 CA ASN C 18 78.770 -2.404 11.088 1.00 0.00 C ATOM 278 C ASN C 18 79.441 -1.113 10.635 1.00 0.00 C ATOM 279 O ASN C 18 78.969 -0.438 9.720 1.00 0.00 O ATOM 280 CB ASN C 18 78.494 -2.320 12.590 1.00 0.00 C ATOM 281 CG ASN C 18 77.196 -3.055 12.913 1.00 0.00 C ATOM 282 OD1 ASN C 18 76.126 -2.676 12.438 1.00 0.00 O ATOM 283 ND2 ASN C 18 77.228 -4.094 13.701 1.00 0.00 N ATOM 0 H ASN C 18 79.747 -4.208 11.551 1.00 0.00 H new ATOM 0 HA ASN C 18 77.827 -2.538 10.558 1.00 0.00 H new ATOM 0 HB2 ASN C 18 79.321 -2.760 13.147 1.00 0.00 H new ATOM 0 HB3 ASN C 18 78.420 -1.277 12.899 1.00 0.00 H new ATOM 0 HD21 ASN C 18 76.366 -4.592 13.923 1.00 0.00 H new ATOM 0 HD22 ASN C 18 78.115 -4.408 14.095 1.00 0.00 H new ATOM 290 N GLU C 19 80.554 -0.781 11.285 1.00 0.00 N ATOM 291 CA GLU C 19 81.292 0.429 10.938 1.00 0.00 C ATOM 292 C GLU C 19 81.391 0.563 9.422 1.00 0.00 C ATOM 293 O GLU C 19 81.359 1.667 8.877 1.00 0.00 O ATOM 294 CB GLU C 19 82.702 0.384 11.530 1.00 0.00 C ATOM 295 CG GLU C 19 83.201 -1.063 11.552 1.00 0.00 C ATOM 296 CD GLU C 19 84.608 -1.125 10.969 1.00 0.00 C ATOM 297 OE1 GLU C 19 85.548 -0.912 11.717 1.00 0.00 O ATOM 298 OE2 GLU C 19 84.726 -1.383 9.782 1.00 0.00 O ATOM 0 H GLU C 19 80.960 -1.326 12.046 1.00 0.00 H new ATOM 0 HA GLU C 19 80.758 1.286 11.348 1.00 0.00 H new ATOM 0 HB2 GLU C 19 83.376 1.003 10.938 1.00 0.00 H new ATOM 0 HB3 GLU C 19 82.697 0.793 12.540 1.00 0.00 H new ATOM 0 HG2 GLU C 19 83.202 -1.443 12.574 1.00 0.00 H new ATOM 0 HG3 GLU C 19 82.529 -1.699 10.976 1.00 0.00 H new ATOM 305 N PHE C 20 81.502 -0.579 8.748 1.00 0.00 N ATOM 306 CA PHE C 20 81.596 -0.587 7.292 1.00 0.00 C ATOM 307 C PHE C 20 80.253 -0.194 6.683 1.00 0.00 C ATOM 308 O PHE C 20 80.131 0.839 6.023 1.00 0.00 O ATOM 309 CB PHE C 20 81.986 -1.981 6.788 1.00 0.00 C ATOM 310 CG PHE C 20 83.401 -1.957 6.253 1.00 0.00 C ATOM 311 CD1 PHE C 20 83.852 -0.862 5.504 1.00 0.00 C ATOM 312 CD2 PHE C 20 84.262 -3.035 6.503 1.00 0.00 C ATOM 313 CE1 PHE C 20 85.161 -0.844 5.008 1.00 0.00 C ATOM 314 CE2 PHE C 20 85.571 -3.016 6.006 1.00 0.00 C ATOM 315 CZ PHE C 20 86.021 -1.921 5.259 1.00 0.00 C ATOM 0 H PHE C 20 81.529 -1.502 9.182 1.00 0.00 H new ATOM 0 HA PHE C 20 82.361 0.130 6.993 1.00 0.00 H new ATOM 0 HB2 PHE C 20 81.906 -2.706 7.598 1.00 0.00 H new ATOM 0 HB3 PHE C 20 81.297 -2.300 6.006 1.00 0.00 H new ATOM 0 HD1 PHE C 20 83.190 -0.032 5.309 1.00 0.00 H new ATOM 0 HD2 PHE C 20 83.916 -3.880 7.079 1.00 0.00 H new ATOM 0 HE1 PHE C 20 85.508 0.001 4.431 1.00 0.00 H new ATOM 0 HE2 PHE C 20 86.234 -3.847 6.199 1.00 0.00 H new ATOM 0 HZ PHE C 20 87.031 -1.906 4.876 1.00 0.00 H new ATOM 325 N LYS C 21 79.244 -1.029 6.920 1.00 0.00 N ATOM 326 CA LYS C 21 77.906 -0.762 6.398 1.00 0.00 C ATOM 327 C LYS C 21 77.575 0.721 6.532 1.00 0.00 C ATOM 328 O LYS C 21 76.991 1.326 5.632 1.00 0.00 O ATOM 329 CB LYS C 21 76.860 -1.580 7.157 1.00 0.00 C ATOM 330 CG LYS C 21 77.200 -3.068 7.049 1.00 0.00 C ATOM 331 CD LYS C 21 75.985 -3.898 7.465 1.00 0.00 C ATOM 332 CE LYS C 21 75.131 -4.213 6.235 1.00 0.00 C ATOM 333 NZ LYS C 21 75.705 -5.385 5.516 1.00 0.00 N ATOM 0 H LYS C 21 79.325 -1.888 7.464 1.00 0.00 H new ATOM 0 HA LYS C 21 77.889 -1.047 5.346 1.00 0.00 H new ATOM 0 HB2 LYS C 21 76.835 -1.277 8.204 1.00 0.00 H new ATOM 0 HB3 LYS C 21 75.868 -1.392 6.747 1.00 0.00 H new ATOM 0 HG2 LYS C 21 77.489 -3.313 6.027 1.00 0.00 H new ATOM 0 HG3 LYS C 21 78.052 -3.305 7.687 1.00 0.00 H new ATOM 0 HD2 LYS C 21 76.310 -4.823 7.941 1.00 0.00 H new ATOM 0 HD3 LYS C 21 75.394 -3.352 8.200 1.00 0.00 H new ATOM 0 HE2 LYS C 21 74.105 -4.425 6.536 1.00 0.00 H new ATOM 0 HE3 LYS C 21 75.096 -3.348 5.572 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 75.124 -5.598 4.680 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 76.676 -5.166 5.216 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 75.716 -6.210 6.150 1.00 0.00 H new ATOM 347 N ALA C 22 77.961 1.300 7.666 1.00 0.00 N ATOM 348 CA ALA C 22 77.710 2.719 7.910 1.00 0.00 C ATOM 349 C ALA C 22 78.295 3.553 6.777 1.00 0.00 C ATOM 350 O ALA C 22 77.570 4.216 6.036 1.00 0.00 O ATOM 351 CB ALA C 22 78.344 3.157 9.232 1.00 0.00 C ATOM 0 H ALA C 22 78.443 0.816 8.423 1.00 0.00 H new ATOM 0 HA ALA C 22 76.632 2.872 7.962 1.00 0.00 H new ATOM 0 HB1 ALA C 22 78.147 4.216 9.397 1.00 0.00 H new ATOM 0 HB2 ALA C 22 77.917 2.577 10.050 1.00 0.00 H new ATOM 0 HB3 ALA C 22 79.420 2.990 9.192 1.00 0.00 H new ATOM 357 N ALA C 23 79.619 3.505 6.645 1.00 0.00 N ATOM 358 CA ALA C 23 80.292 4.253 5.589 1.00 0.00 C ATOM 359 C ALA C 23 79.798 3.784 4.225 1.00 0.00 C ATOM 360 O ALA C 23 79.988 4.457 3.212 1.00 0.00 O ATOM 361 CB ALA C 23 81.807 4.058 5.669 1.00 0.00 C ATOM 0 H ALA C 23 80.239 2.964 7.248 1.00 0.00 H new ATOM 0 HA ALA C 23 80.063 5.311 5.721 1.00 0.00 H new ATOM 0 HB1 ALA C 23 82.289 4.624 4.872 1.00 0.00 H new ATOM 0 HB2 ALA C 23 82.169 4.410 6.635 1.00 0.00 H new ATOM 0 HB3 ALA C 23 82.044 3.000 5.557 1.00 0.00 H new ATOM 367 N PHE C 24 79.155 2.619 4.214 1.00 0.00 N ATOM 368 CA PHE C 24 78.628 2.060 2.973 1.00 0.00 C ATOM 369 C PHE C 24 77.343 2.780 2.572 1.00 0.00 C ATOM 370 O PHE C 24 76.984 2.835 1.397 1.00 0.00 O ATOM 371 CB PHE C 24 78.326 0.572 3.146 1.00 0.00 C ATOM 372 CG PHE C 24 79.485 -0.246 2.631 1.00 0.00 C ATOM 373 CD1 PHE C 24 80.738 -0.151 3.247 1.00 0.00 C ATOM 374 CD2 PHE C 24 79.304 -1.101 1.539 1.00 0.00 C ATOM 375 CE1 PHE C 24 81.812 -0.912 2.769 1.00 0.00 C ATOM 376 CE2 PHE C 24 80.376 -1.862 1.061 1.00 0.00 C ATOM 377 CZ PHE C 24 81.630 -1.768 1.676 1.00 0.00 C ATOM 0 H PHE C 24 78.988 2.048 5.043 1.00 0.00 H new ATOM 0 HA PHE C 24 79.380 2.192 2.196 1.00 0.00 H new ATOM 0 HB2 PHE C 24 78.149 0.347 4.198 1.00 0.00 H new ATOM 0 HB3 PHE C 24 77.416 0.311 2.606 1.00 0.00 H new ATOM 0 HD1 PHE C 24 80.877 0.509 4.091 1.00 0.00 H new ATOM 0 HD2 PHE C 24 78.336 -1.174 1.065 1.00 0.00 H new ATOM 0 HE1 PHE C 24 82.780 -0.839 3.243 1.00 0.00 H new ATOM 0 HE2 PHE C 24 80.236 -2.522 0.218 1.00 0.00 H new ATOM 0 HZ PHE C 24 82.457 -2.356 1.307 1.00 0.00 H new ATOM 387 N ASP C 25 76.652 3.329 3.567 1.00 0.00 N ATOM 388 CA ASP C 25 75.405 4.043 3.308 1.00 0.00 C ATOM 389 C ASP C 25 75.686 5.499 2.954 1.00 0.00 C ATOM 390 O ASP C 25 74.781 6.333 2.937 1.00 0.00 O ATOM 391 CB ASP C 25 74.492 3.995 4.536 1.00 0.00 C ATOM 392 CG ASP C 25 73.570 2.785 4.437 1.00 0.00 C ATOM 393 OD1 ASP C 25 72.929 2.636 3.409 1.00 0.00 O ATOM 394 OD2 ASP C 25 73.519 2.024 5.389 1.00 0.00 O ATOM 0 H ASP C 25 76.929 3.295 4.548 1.00 0.00 H new ATOM 0 HA ASP C 25 74.909 3.555 2.469 1.00 0.00 H new ATOM 0 HB2 ASP C 25 75.090 3.936 5.445 1.00 0.00 H new ATOM 0 HB3 ASP C 25 73.903 4.910 4.601 1.00 0.00 H new ATOM 399 N ILE C 26 76.951 5.798 2.673 1.00 0.00 N ATOM 400 CA ILE C 26 77.336 7.162 2.322 1.00 0.00 C ATOM 401 C ILE C 26 77.801 7.229 0.870 1.00 0.00 C ATOM 402 O ILE C 26 77.350 8.074 0.097 1.00 0.00 O ATOM 403 CB ILE C 26 78.465 7.672 3.226 1.00 0.00 C ATOM 404 CG1 ILE C 26 78.539 6.833 4.509 1.00 0.00 C ATOM 405 CG2 ILE C 26 78.200 9.135 3.587 1.00 0.00 C ATOM 406 CD1 ILE C 26 77.397 7.219 5.453 1.00 0.00 C ATOM 0 H ILE C 26 77.718 5.125 2.681 1.00 0.00 H new ATOM 0 HA ILE C 26 76.457 7.792 2.459 1.00 0.00 H new ATOM 0 HB ILE C 26 79.413 7.587 2.695 1.00 0.00 H new ATOM 0 HG12 ILE C 26 78.477 5.773 4.264 1.00 0.00 H new ATOM 0 HG13 ILE C 26 79.498 6.991 5.002 1.00 0.00 H new ATOM 0 HG21 ILE C 26 79.000 9.502 4.230 1.00 0.00 H new ATOM 0 HG22 ILE C 26 78.163 9.733 2.677 1.00 0.00 H new ATOM 0 HG23 ILE C 26 77.248 9.213 4.112 1.00 0.00 H new ATOM 0 HD11 ILE C 26 77.457 6.619 6.361 1.00 0.00 H new ATOM 0 HD12 ILE C 26 77.479 8.275 5.710 1.00 0.00 H new ATOM 0 HD13 ILE C 26 76.441 7.038 4.961 1.00 0.00 H new ATOM 418 N PHE C 27 78.716 6.331 0.512 1.00 0.00 N ATOM 419 CA PHE C 27 79.248 6.298 -0.849 1.00 0.00 C ATOM 420 C PHE C 27 78.124 6.088 -1.861 1.00 0.00 C ATOM 421 O PHE C 27 78.279 6.367 -3.050 1.00 0.00 O ATOM 422 CB PHE C 27 80.291 5.183 -0.989 1.00 0.00 C ATOM 423 CG PHE C 27 79.611 3.843 -1.125 1.00 0.00 C ATOM 424 CD1 PHE C 27 79.205 3.382 -2.380 1.00 0.00 C ATOM 425 CD2 PHE C 27 79.401 3.059 0.010 1.00 0.00 C ATOM 426 CE1 PHE C 27 78.587 2.131 -2.500 1.00 0.00 C ATOM 427 CE2 PHE C 27 78.782 1.808 -0.106 1.00 0.00 C ATOM 428 CZ PHE C 27 78.374 1.344 -1.362 1.00 0.00 C ATOM 0 H PHE C 27 79.101 5.623 1.137 1.00 0.00 H new ATOM 0 HA PHE C 27 79.726 7.257 -1.051 1.00 0.00 H new ATOM 0 HB2 PHE C 27 80.918 5.370 -1.861 1.00 0.00 H new ATOM 0 HB3 PHE C 27 80.947 5.179 -0.119 1.00 0.00 H new ATOM 0 HD1 PHE C 27 79.368 3.990 -3.257 1.00 0.00 H new ATOM 0 HD2 PHE C 27 79.716 3.417 0.979 1.00 0.00 H new ATOM 0 HE1 PHE C 27 78.275 1.774 -3.470 1.00 0.00 H new ATOM 0 HE2 PHE C 27 78.620 1.202 0.773 1.00 0.00 H new ATOM 0 HZ PHE C 27 77.895 0.380 -1.453 1.00 0.00 H new ATOM 438 N VAL C 28 76.988 5.602 -1.372 1.00 0.00 N ATOM 439 CA VAL C 28 75.831 5.365 -2.233 1.00 0.00 C ATOM 440 C VAL C 28 74.574 5.921 -1.573 1.00 0.00 C ATOM 441 O VAL C 28 73.478 5.382 -1.730 1.00 0.00 O ATOM 442 CB VAL C 28 75.637 3.868 -2.487 1.00 0.00 C ATOM 443 CG1 VAL C 28 76.412 3.453 -3.741 1.00 0.00 C ATOM 444 CG2 VAL C 28 76.149 3.076 -1.281 1.00 0.00 C ATOM 0 H VAL C 28 76.842 5.365 -0.391 1.00 0.00 H new ATOM 0 HA VAL C 28 76.008 5.866 -3.184 1.00 0.00 H new ATOM 0 HB VAL C 28 74.577 3.660 -2.635 1.00 0.00 H new ATOM 0 HG11 VAL C 28 76.272 2.387 -3.919 1.00 0.00 H new ATOM 0 HG12 VAL C 28 76.044 4.016 -4.599 1.00 0.00 H new ATOM 0 HG13 VAL C 28 77.473 3.661 -3.599 1.00 0.00 H new ATOM 0 HG21 VAL C 28 76.011 2.010 -1.461 1.00 0.00 H new ATOM 0 HG22 VAL C 28 77.208 3.285 -1.132 1.00 0.00 H new ATOM 0 HG23 VAL C 28 75.592 3.369 -0.391 1.00 0.00 H new ATOM 454 N LEU C 29 74.752 7.006 -0.824 1.00 0.00 N ATOM 455 CA LEU C 29 73.636 7.636 -0.126 1.00 0.00 C ATOM 456 C LEU C 29 72.700 8.340 -1.111 1.00 0.00 C ATOM 457 O LEU C 29 71.661 8.875 -0.726 1.00 0.00 O ATOM 458 CB LEU C 29 74.166 8.641 0.914 1.00 0.00 C ATOM 459 CG LEU C 29 74.324 10.031 0.287 1.00 0.00 C ATOM 460 CD1 LEU C 29 73.007 10.798 0.413 1.00 0.00 C ATOM 461 CD2 LEU C 29 75.431 10.797 1.015 1.00 0.00 C ATOM 0 H LEU C 29 75.653 7.465 -0.685 1.00 0.00 H new ATOM 0 HA LEU C 29 73.068 6.858 0.384 1.00 0.00 H new ATOM 0 HB2 LEU C 29 73.481 8.693 1.760 1.00 0.00 H new ATOM 0 HB3 LEU C 29 75.126 8.300 1.302 1.00 0.00 H new ATOM 0 HG LEU C 29 74.586 9.927 -0.766 1.00 0.00 H new ATOM 0 HD11 LEU C 29 73.118 11.787 -0.032 1.00 0.00 H new ATOM 0 HD12 LEU C 29 72.218 10.253 -0.105 1.00 0.00 H new ATOM 0 HD13 LEU C 29 72.746 10.902 1.466 1.00 0.00 H new ATOM 0 HD21 LEU C 29 75.543 11.785 0.569 1.00 0.00 H new ATOM 0 HD22 LEU C 29 75.169 10.902 2.068 1.00 0.00 H new ATOM 0 HD23 LEU C 29 76.370 10.250 0.927 1.00 0.00 H new ATOM 473 N GLY C 30 73.081 8.333 -2.385 1.00 0.00 N ATOM 474 CA GLY C 30 72.267 8.973 -3.414 1.00 0.00 C ATOM 475 C GLY C 30 72.612 8.423 -4.794 1.00 0.00 C ATOM 476 O GLY C 30 72.600 9.149 -5.787 1.00 0.00 O ATOM 0 H GLY C 30 73.937 7.897 -2.727 1.00 0.00 H new ATOM 0 HA2 GLY C 30 71.210 8.807 -3.205 1.00 0.00 H new ATOM 0 HA3 GLY C 30 72.430 10.051 -3.395 1.00 0.00 H new ATOM 480 N ALA C 31 72.919 7.129 -4.842 1.00 0.00 N ATOM 481 CA ALA C 31 73.267 6.485 -6.106 1.00 0.00 C ATOM 482 C ALA C 31 72.024 5.907 -6.769 1.00 0.00 C ATOM 483 O ALA C 31 70.921 5.974 -6.226 1.00 0.00 O ATOM 484 CB ALA C 31 74.279 5.360 -5.876 1.00 0.00 C ATOM 0 H ALA C 31 72.934 6.512 -4.030 1.00 0.00 H new ATOM 0 HA ALA C 31 73.708 7.240 -6.756 1.00 0.00 H new ATOM 0 HB1 ALA C 31 74.526 4.892 -6.829 1.00 0.00 H new ATOM 0 HB2 ALA C 31 75.184 5.771 -5.428 1.00 0.00 H new ATOM 0 HB3 ALA C 31 73.849 4.615 -5.207 1.00 0.00 H new ATOM 490 N GLU C 32 72.219 5.343 -7.955 1.00 0.00 N ATOM 491 CA GLU C 32 71.111 4.758 -8.700 1.00 0.00 C ATOM 492 C GLU C 32 70.909 3.299 -8.305 1.00 0.00 C ATOM 493 O GLU C 32 69.809 2.757 -8.415 1.00 0.00 O ATOM 494 CB GLU C 32 71.386 4.835 -10.200 1.00 0.00 C ATOM 495 CG GLU C 32 70.228 4.191 -10.967 1.00 0.00 C ATOM 496 CD GLU C 32 70.731 2.956 -11.706 1.00 0.00 C ATOM 497 OE1 GLU C 32 71.616 3.104 -12.533 1.00 0.00 O ATOM 498 OE2 GLU C 32 70.222 1.880 -11.436 1.00 0.00 O ATOM 0 H GLU C 32 73.125 5.278 -8.418 1.00 0.00 H new ATOM 0 HA GLU C 32 70.209 5.322 -8.463 1.00 0.00 H new ATOM 0 HB2 GLU C 32 71.505 5.875 -10.506 1.00 0.00 H new ATOM 0 HB3 GLU C 32 72.320 4.325 -10.436 1.00 0.00 H new ATOM 0 HG2 GLU C 32 69.430 3.915 -10.278 1.00 0.00 H new ATOM 0 HG3 GLU C 32 69.805 4.904 -11.675 1.00 0.00 H new ATOM 505 N ASP C 33 71.984 2.669 -7.843 1.00 0.00 N ATOM 506 CA ASP C 33 71.914 1.269 -7.434 1.00 0.00 C ATOM 507 C ASP C 33 72.645 1.063 -6.110 1.00 0.00 C ATOM 508 O ASP C 33 72.057 1.195 -5.036 1.00 0.00 O ATOM 509 CB ASP C 33 72.534 0.361 -8.500 1.00 0.00 C ATOM 510 CG ASP C 33 73.612 1.125 -9.264 1.00 0.00 C ATOM 511 OD1 ASP C 33 74.742 1.134 -8.805 1.00 0.00 O ATOM 512 OD2 ASP C 33 73.290 1.691 -10.296 1.00 0.00 O ATOM 0 H ASP C 33 72.904 3.098 -7.743 1.00 0.00 H new ATOM 0 HA ASP C 33 70.863 1.008 -7.311 1.00 0.00 H new ATOM 0 HB2 ASP C 33 72.965 -0.524 -8.032 1.00 0.00 H new ATOM 0 HB3 ASP C 33 71.764 0.014 -9.189 1.00 0.00 H new ATOM 517 N GLY C 34 73.933 0.740 -6.195 1.00 0.00 N ATOM 518 CA GLY C 34 74.731 0.520 -4.993 1.00 0.00 C ATOM 519 C GLY C 34 76.210 0.413 -5.340 1.00 0.00 C ATOM 520 O GLY C 34 76.941 -0.394 -4.766 1.00 0.00 O ATOM 0 H GLY C 34 74.441 0.626 -7.072 1.00 0.00 H new ATOM 0 HA2 GLY C 34 74.575 1.340 -4.292 1.00 0.00 H new ATOM 0 HA3 GLY C 34 74.403 -0.392 -4.494 1.00 0.00 H new ATOM 524 N CYS C 35 76.644 1.238 -6.287 1.00 0.00 N ATOM 525 CA CYS C 35 78.041 1.228 -6.704 1.00 0.00 C ATOM 526 C CYS C 35 78.697 2.572 -6.403 1.00 0.00 C ATOM 527 O CYS C 35 78.018 3.579 -6.205 1.00 0.00 O ATOM 528 CB CYS C 35 78.152 0.943 -8.203 1.00 0.00 C ATOM 529 SG CYS C 35 77.031 -0.407 -8.646 1.00 0.00 S ATOM 0 H CYS C 35 76.057 1.914 -6.775 1.00 0.00 H new ATOM 0 HA CYS C 35 78.552 0.442 -6.148 1.00 0.00 H new ATOM 0 HB2 CYS C 35 77.904 1.838 -8.773 1.00 0.00 H new ATOM 0 HB3 CYS C 35 79.178 0.677 -8.458 1.00 0.00 H new ATOM 0 HG CYS C 35 75.838 0.068 -8.850 1.00 0.00 H new ATOM 535 N ILE C 36 80.026 2.573 -6.371 1.00 0.00 N ATOM 536 CA ILE C 36 80.768 3.801 -6.091 1.00 0.00 C ATOM 537 C ILE C 36 81.444 4.314 -7.356 1.00 0.00 C ATOM 538 O ILE C 36 81.919 3.538 -8.185 1.00 0.00 O ATOM 539 CB ILE C 36 81.838 3.568 -5.020 1.00 0.00 C ATOM 540 CG1 ILE C 36 81.451 2.353 -4.160 1.00 0.00 C ATOM 541 CG2 ILE C 36 81.951 4.822 -4.147 1.00 0.00 C ATOM 542 CD1 ILE C 36 82.097 2.451 -2.773 1.00 0.00 C ATOM 0 H ILE C 36 80.606 1.750 -6.533 1.00 0.00 H new ATOM 0 HA ILE C 36 80.053 4.539 -5.727 1.00 0.00 H new ATOM 0 HB ILE C 36 82.800 3.370 -5.492 1.00 0.00 H new ATOM 0 HG12 ILE C 36 80.367 2.301 -4.060 1.00 0.00 H new ATOM 0 HG13 ILE C 36 81.770 1.435 -4.653 1.00 0.00 H new ATOM 0 HG21 ILE C 36 82.711 4.665 -3.381 1.00 0.00 H new ATOM 0 HG22 ILE C 36 82.231 5.673 -4.767 1.00 0.00 H new ATOM 0 HG23 ILE C 36 80.991 5.021 -3.670 1.00 0.00 H new ATOM 0 HD11 ILE C 36 81.813 1.584 -2.177 1.00 0.00 H new ATOM 0 HD12 ILE C 36 83.182 2.480 -2.878 1.00 0.00 H new ATOM 0 HD13 ILE C 36 81.756 3.360 -2.276 1.00 0.00 H new ATOM 554 N SER C 37 81.483 5.635 -7.488 1.00 0.00 N ATOM 555 CA SER C 37 82.105 6.258 -8.651 1.00 0.00 C ATOM 556 C SER C 37 83.135 7.290 -8.205 1.00 0.00 C ATOM 557 O SER C 37 83.038 7.853 -7.115 1.00 0.00 O ATOM 558 CB SER C 37 81.050 6.945 -9.519 1.00 0.00 C ATOM 559 OG SER C 37 79.784 6.343 -9.282 1.00 0.00 O ATOM 0 H SER C 37 81.095 6.291 -6.810 1.00 0.00 H new ATOM 0 HA SER C 37 82.597 5.479 -9.233 1.00 0.00 H new ATOM 0 HB2 SER C 37 81.009 8.009 -9.288 1.00 0.00 H new ATOM 0 HB3 SER C 37 81.316 6.858 -10.572 1.00 0.00 H new ATOM 0 HG SER C 37 79.104 6.782 -9.835 1.00 0.00 H new ATOM 565 N THR C 38 84.124 7.529 -9.059 1.00 0.00 N ATOM 566 CA THR C 38 85.172 8.496 -8.740 1.00 0.00 C ATOM 567 C THR C 38 84.574 9.716 -8.047 1.00 0.00 C ATOM 568 O THR C 38 85.191 10.316 -7.167 1.00 0.00 O ATOM 569 CB THR C 38 85.894 8.953 -10.012 1.00 0.00 C ATOM 570 OG1 THR C 38 85.117 9.949 -10.663 1.00 0.00 O ATOM 571 CG2 THR C 38 86.089 7.762 -10.951 1.00 0.00 C ATOM 0 H THR C 38 84.224 7.074 -9.966 1.00 0.00 H new ATOM 0 HA THR C 38 85.885 8.008 -8.076 1.00 0.00 H new ATOM 0 HB THR C 38 86.868 9.365 -9.747 1.00 0.00 H new ATOM 0 HG1 THR C 38 85.578 10.244 -11.476 1.00 0.00 H new ATOM 0 HG21 THR C 38 86.603 8.091 -11.854 1.00 0.00 H new ATOM 0 HG22 THR C 38 86.686 6.999 -10.452 1.00 0.00 H new ATOM 0 HG23 THR C 38 85.117 7.346 -11.217 1.00 0.00 H new ATOM 579 N LYS C 39 83.363 10.076 -8.460 1.00 0.00 N ATOM 580 CA LYS C 39 82.677 11.230 -7.883 1.00 0.00 C ATOM 581 C LYS C 39 82.050 10.867 -6.540 1.00 0.00 C ATOM 582 O LYS C 39 82.520 11.289 -5.483 1.00 0.00 O ATOM 583 CB LYS C 39 81.579 11.720 -8.829 1.00 0.00 C ATOM 584 CG LYS C 39 80.936 12.988 -8.263 1.00 0.00 C ATOM 585 CD LYS C 39 80.899 14.067 -9.348 1.00 0.00 C ATOM 586 CE LYS C 39 81.571 15.340 -8.828 1.00 0.00 C ATOM 587 NZ LYS C 39 82.848 15.563 -9.564 1.00 0.00 N ATOM 0 H LYS C 39 82.838 9.590 -9.187 1.00 0.00 H new ATOM 0 HA LYS C 39 83.413 12.020 -7.734 1.00 0.00 H new ATOM 0 HB2 LYS C 39 81.999 11.923 -9.814 1.00 0.00 H new ATOM 0 HB3 LYS C 39 80.824 10.944 -8.958 1.00 0.00 H new ATOM 0 HG2 LYS C 39 79.926 12.772 -7.914 1.00 0.00 H new ATOM 0 HG3 LYS C 39 81.502 13.342 -7.401 1.00 0.00 H new ATOM 0 HD2 LYS C 39 81.410 13.714 -10.244 1.00 0.00 H new ATOM 0 HD3 LYS C 39 79.868 14.277 -9.631 1.00 0.00 H new ATOM 0 HE2 LYS C 39 80.908 16.195 -8.961 1.00 0.00 H new ATOM 0 HE3 LYS C 39 81.765 15.251 -7.759 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 83.305 16.428 -9.211 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 83.481 14.751 -9.415 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 82.650 15.666 -10.580 1.00 0.00 H new ATOM 601 N GLU C 40 80.978 10.082 -6.596 1.00 0.00 N ATOM 602 CA GLU C 40 80.280 9.665 -5.381 1.00 0.00 C ATOM 603 C GLU C 40 81.275 9.259 -4.297 1.00 0.00 C ATOM 604 O GLU C 40 80.995 9.369 -3.104 1.00 0.00 O ATOM 605 CB GLU C 40 79.361 8.478 -5.675 1.00 0.00 C ATOM 606 CG GLU C 40 77.930 8.975 -5.884 1.00 0.00 C ATOM 607 CD GLU C 40 77.440 9.661 -4.614 1.00 0.00 C ATOM 608 OE1 GLU C 40 77.726 9.154 -3.542 1.00 0.00 O ATOM 609 OE2 GLU C 40 76.785 10.684 -4.731 1.00 0.00 O ATOM 0 H GLU C 40 80.575 9.723 -7.462 1.00 0.00 H new ATOM 0 HA GLU C 40 79.689 10.511 -5.031 1.00 0.00 H new ATOM 0 HB2 GLU C 40 79.706 7.949 -6.564 1.00 0.00 H new ATOM 0 HB3 GLU C 40 79.393 7.768 -4.849 1.00 0.00 H new ATOM 0 HG2 GLU C 40 77.894 9.670 -6.723 1.00 0.00 H new ATOM 0 HG3 GLU C 40 77.276 8.139 -6.134 1.00 0.00 H new ATOM 616 N LEU C 41 82.438 8.778 -4.727 1.00 0.00 N ATOM 617 CA LEU C 41 83.469 8.344 -3.786 1.00 0.00 C ATOM 618 C LEU C 41 84.045 9.534 -3.023 1.00 0.00 C ATOM 619 O LEU C 41 83.883 9.648 -1.809 1.00 0.00 O ATOM 620 CB LEU C 41 84.601 7.635 -4.532 1.00 0.00 C ATOM 621 CG LEU C 41 85.743 7.327 -3.563 1.00 0.00 C ATOM 622 CD1 LEU C 41 85.277 6.299 -2.531 1.00 0.00 C ATOM 623 CD2 LEU C 41 86.933 6.763 -4.342 1.00 0.00 C ATOM 0 H LEU C 41 82.690 8.679 -5.710 1.00 0.00 H new ATOM 0 HA LEU C 41 83.007 7.656 -3.078 1.00 0.00 H new ATOM 0 HB2 LEU C 41 84.232 6.712 -4.980 1.00 0.00 H new ATOM 0 HB3 LEU C 41 84.962 8.263 -5.347 1.00 0.00 H new ATOM 0 HG LEU C 41 86.042 8.243 -3.052 1.00 0.00 H new ATOM 0 HD11 LEU C 41 86.092 6.081 -1.841 1.00 0.00 H new ATOM 0 HD12 LEU C 41 84.429 6.700 -1.975 1.00 0.00 H new ATOM 0 HD13 LEU C 41 84.977 5.383 -3.040 1.00 0.00 H new ATOM 0 HD21 LEU C 41 87.748 6.543 -3.652 1.00 0.00 H new ATOM 0 HD22 LEU C 41 86.633 5.848 -4.853 1.00 0.00 H new ATOM 0 HD23 LEU C 41 87.267 7.496 -5.077 1.00 0.00 H new ATOM 635 N GLY C 42 84.727 10.413 -3.750 1.00 0.00 N ATOM 636 CA GLY C 42 85.336 11.591 -3.136 1.00 0.00 C ATOM 637 C GLY C 42 84.433 12.186 -2.057 1.00 0.00 C ATOM 638 O GLY C 42 84.908 12.806 -1.105 1.00 0.00 O ATOM 0 H GLY C 42 84.872 10.335 -4.757 1.00 0.00 H new ATOM 0 HA2 GLY C 42 86.297 11.320 -2.699 1.00 0.00 H new ATOM 0 HA3 GLY C 42 85.534 12.341 -3.902 1.00 0.00 H new ATOM 642 N LYS C 43 83.127 11.999 -2.220 1.00 0.00 N ATOM 643 CA LYS C 43 82.162 12.531 -1.259 1.00 0.00 C ATOM 644 C LYS C 43 82.368 11.922 0.127 1.00 0.00 C ATOM 645 O LYS C 43 82.108 12.565 1.144 1.00 0.00 O ATOM 646 CB LYS C 43 80.734 12.231 -1.718 1.00 0.00 C ATOM 647 CG LYS C 43 80.316 13.246 -2.782 1.00 0.00 C ATOM 648 CD LYS C 43 79.294 14.214 -2.186 1.00 0.00 C ATOM 649 CE LYS C 43 79.952 15.576 -1.962 1.00 0.00 C ATOM 650 NZ LYS C 43 79.226 16.611 -2.751 1.00 0.00 N ATOM 0 H LYS C 43 82.714 11.488 -3.000 1.00 0.00 H new ATOM 0 HA LYS C 43 82.318 13.608 -1.203 1.00 0.00 H new ATOM 0 HB2 LYS C 43 80.675 11.220 -2.122 1.00 0.00 H new ATOM 0 HB3 LYS C 43 80.051 12.276 -0.870 1.00 0.00 H new ATOM 0 HG2 LYS C 43 81.187 13.794 -3.140 1.00 0.00 H new ATOM 0 HG3 LYS C 43 79.888 12.732 -3.643 1.00 0.00 H new ATOM 0 HD2 LYS C 43 78.440 14.316 -2.856 1.00 0.00 H new ATOM 0 HD3 LYS C 43 78.913 13.822 -1.243 1.00 0.00 H new ATOM 0 HE2 LYS C 43 79.934 15.831 -0.902 1.00 0.00 H new ATOM 0 HE3 LYS C 43 80.999 15.541 -2.264 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 79.672 17.538 -2.600 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 79.265 16.368 -3.761 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 78.234 16.650 -2.443 1.00 0.00 H new ATOM 664 N VAL C 44 82.824 10.673 0.159 1.00 0.00 N ATOM 665 CA VAL C 44 83.043 9.988 1.432 1.00 0.00 C ATOM 666 C VAL C 44 84.434 10.283 1.985 1.00 0.00 C ATOM 667 O VAL C 44 84.583 10.805 3.089 1.00 0.00 O ATOM 668 CB VAL C 44 82.893 8.475 1.258 1.00 0.00 C ATOM 669 CG1 VAL C 44 83.089 7.785 2.610 1.00 0.00 C ATOM 670 CG2 VAL C 44 81.494 8.159 0.724 1.00 0.00 C ATOM 0 H VAL C 44 83.047 10.120 -0.669 1.00 0.00 H new ATOM 0 HA VAL C 44 82.294 10.357 2.133 1.00 0.00 H new ATOM 0 HB VAL C 44 83.642 8.114 0.553 1.00 0.00 H new ATOM 0 HG11 VAL C 44 82.982 6.707 2.487 1.00 0.00 H new ATOM 0 HG12 VAL C 44 84.085 8.010 2.992 1.00 0.00 H new ATOM 0 HG13 VAL C 44 82.340 8.146 3.315 1.00 0.00 H new ATOM 0 HG21 VAL C 44 81.387 7.081 0.600 1.00 0.00 H new ATOM 0 HG22 VAL C 44 80.745 8.519 1.429 1.00 0.00 H new ATOM 0 HG23 VAL C 44 81.352 8.651 -0.238 1.00 0.00 H new ATOM 680 N MET C 45 85.452 9.926 1.209 1.00 0.00 N ATOM 681 CA MET C 45 86.834 10.138 1.631 1.00 0.00 C ATOM 682 C MET C 45 87.009 11.502 2.298 1.00 0.00 C ATOM 683 O MET C 45 87.669 11.620 3.330 1.00 0.00 O ATOM 684 CB MET C 45 87.784 10.044 0.432 1.00 0.00 C ATOM 685 CG MET C 45 87.432 8.825 -0.434 1.00 0.00 C ATOM 686 SD MET C 45 87.068 7.389 0.614 1.00 0.00 S ATOM 687 CE MET C 45 88.603 7.397 1.572 1.00 0.00 C ATOM 0 H MET C 45 85.349 9.492 0.292 1.00 0.00 H new ATOM 0 HA MET C 45 87.075 9.358 2.353 1.00 0.00 H new ATOM 0 HB2 MET C 45 87.718 10.954 -0.165 1.00 0.00 H new ATOM 0 HB3 MET C 45 88.814 9.966 0.781 1.00 0.00 H new ATOM 0 HG2 MET C 45 86.570 9.053 -1.061 1.00 0.00 H new ATOM 0 HG3 MET C 45 88.261 8.594 -1.103 1.00 0.00 H new ATOM 0 HE1 MET C 45 88.660 6.491 2.176 1.00 0.00 H new ATOM 0 HE2 MET C 45 89.455 7.435 0.893 1.00 0.00 H new ATOM 0 HE3 MET C 45 88.620 8.270 2.225 1.00 0.00 H new ATOM 697 N ARG C 46 86.424 12.533 1.694 1.00 0.00 N ATOM 698 CA ARG C 46 86.540 13.888 2.238 1.00 0.00 C ATOM 699 C ARG C 46 86.142 13.929 3.711 1.00 0.00 C ATOM 700 O ARG C 46 86.790 14.590 4.523 1.00 0.00 O ATOM 701 CB ARG C 46 85.654 14.862 1.458 1.00 0.00 C ATOM 702 CG ARG C 46 84.212 14.355 1.448 1.00 0.00 C ATOM 703 CD ARG C 46 83.319 15.374 0.738 1.00 0.00 C ATOM 704 NE ARG C 46 82.955 16.462 1.642 1.00 0.00 N ATOM 705 CZ ARG C 46 82.038 16.286 2.589 1.00 0.00 C ATOM 706 NH1 ARG C 46 81.449 15.129 2.718 1.00 0.00 N ATOM 707 NH2 ARG C 46 81.726 17.270 3.386 1.00 0.00 N ATOM 0 H ARG C 46 85.872 12.461 0.839 1.00 0.00 H new ATOM 0 HA ARG C 46 87.584 14.186 2.143 1.00 0.00 H new ATOM 0 HB2 ARG C 46 85.698 15.852 1.912 1.00 0.00 H new ATOM 0 HB3 ARG C 46 86.021 14.963 0.437 1.00 0.00 H new ATOM 0 HG2 ARG C 46 84.157 13.392 0.941 1.00 0.00 H new ATOM 0 HG3 ARG C 46 83.863 14.198 2.469 1.00 0.00 H new ATOM 0 HD2 ARG C 46 83.838 15.776 -0.132 1.00 0.00 H new ATOM 0 HD3 ARG C 46 82.418 14.882 0.372 1.00 0.00 H new ATOM 0 HE ARG C 46 83.411 17.370 1.546 1.00 0.00 H new ATOM 0 HH11 ARG C 46 81.692 14.361 2.093 1.00 0.00 H new ATOM 0 HH12 ARG C 46 80.746 14.993 3.444 1.00 0.00 H new ATOM 0 HH21 ARG C 46 82.185 18.175 3.283 1.00 0.00 H new ATOM 0 HH22 ARG C 46 81.023 17.135 4.112 1.00 0.00 H new ATOM 721 N MET C 47 85.064 13.227 4.048 1.00 0.00 N ATOM 722 CA MET C 47 84.584 13.205 5.429 1.00 0.00 C ATOM 723 C MET C 47 85.482 12.339 6.310 1.00 0.00 C ATOM 724 O MET C 47 85.254 12.214 7.512 1.00 0.00 O ATOM 725 CB MET C 47 83.157 12.659 5.489 1.00 0.00 C ATOM 726 CG MET C 47 82.175 13.815 5.676 1.00 0.00 C ATOM 727 SD MET C 47 80.763 13.255 6.662 1.00 0.00 S ATOM 728 CE MET C 47 80.013 12.195 5.402 1.00 0.00 C ATOM 0 H MET C 47 84.511 12.672 3.395 1.00 0.00 H new ATOM 0 HA MET C 47 84.603 14.230 5.799 1.00 0.00 H new ATOM 0 HB2 MET C 47 82.925 12.116 4.573 1.00 0.00 H new ATOM 0 HB3 MET C 47 83.062 11.951 6.312 1.00 0.00 H new ATOM 0 HG2 MET C 47 82.670 14.650 6.172 1.00 0.00 H new ATOM 0 HG3 MET C 47 81.834 14.177 4.706 1.00 0.00 H new ATOM 0 HE1 MET C 47 79.769 11.227 5.839 1.00 0.00 H new ATOM 0 HE2 MET C 47 79.103 12.663 5.027 1.00 0.00 H new ATOM 0 HE3 MET C 47 80.715 12.055 4.580 1.00 0.00 H new ATOM 738 N LEU C 48 86.505 11.740 5.704 1.00 0.00 N ATOM 739 CA LEU C 48 87.424 10.886 6.455 1.00 0.00 C ATOM 740 C LEU C 48 88.768 11.582 6.644 1.00 0.00 C ATOM 741 O LEU C 48 89.770 10.947 6.971 1.00 0.00 O ATOM 742 CB LEU C 48 87.650 9.558 5.725 1.00 0.00 C ATOM 743 CG LEU C 48 86.431 9.228 4.861 1.00 0.00 C ATOM 744 CD1 LEU C 48 86.513 7.775 4.394 1.00 0.00 C ATOM 745 CD2 LEU C 48 85.154 9.427 5.683 1.00 0.00 C ATOM 0 H LEU C 48 86.717 11.827 4.710 1.00 0.00 H new ATOM 0 HA LEU C 48 86.974 10.691 7.429 1.00 0.00 H new ATOM 0 HB2 LEU C 48 88.542 9.622 5.102 1.00 0.00 H new ATOM 0 HB3 LEU C 48 87.822 8.760 6.447 1.00 0.00 H new ATOM 0 HG LEU C 48 86.413 9.888 3.993 1.00 0.00 H new ATOM 0 HD11 LEU C 48 85.644 7.541 3.779 1.00 0.00 H new ATOM 0 HD12 LEU C 48 87.421 7.632 3.809 1.00 0.00 H new ATOM 0 HD13 LEU C 48 86.532 7.115 5.261 1.00 0.00 H new ATOM 0 HD21 LEU C 48 84.285 9.192 5.068 1.00 0.00 H new ATOM 0 HD22 LEU C 48 85.173 8.768 6.551 1.00 0.00 H new ATOM 0 HD23 LEU C 48 85.093 10.463 6.016 1.00 0.00 H new ATOM 757 N GLY C 49 88.779 12.894 6.433 1.00 0.00 N ATOM 758 CA GLY C 49 90.010 13.665 6.581 1.00 0.00 C ATOM 759 C GLY C 49 90.890 13.509 5.346 1.00 0.00 C ATOM 760 O GLY C 49 92.077 13.833 5.366 1.00 0.00 O ATOM 0 H GLY C 49 87.962 13.441 6.162 1.00 0.00 H new ATOM 0 HA2 GLY C 49 89.771 14.717 6.734 1.00 0.00 H new ATOM 0 HA3 GLY C 49 90.552 13.330 7.465 1.00 0.00 H new ATOM 764 N GLN C 50 90.290 13.008 4.270 1.00 0.00 N ATOM 765 CA GLN C 50 91.020 12.809 3.022 1.00 0.00 C ATOM 766 C GLN C 50 90.195 13.317 1.844 1.00 0.00 C ATOM 767 O GLN C 50 89.098 12.825 1.579 1.00 0.00 O ATOM 768 CB GLN C 50 91.329 11.325 2.814 1.00 0.00 C ATOM 769 CG GLN C 50 91.555 10.653 4.170 1.00 0.00 C ATOM 770 CD GLN C 50 91.875 9.177 3.961 1.00 0.00 C ATOM 771 OE1 GLN C 50 91.931 8.701 2.827 1.00 0.00 O ATOM 772 NE2 GLN C 50 92.091 8.416 4.999 1.00 0.00 N ATOM 0 H GLN C 50 89.308 12.734 4.236 1.00 0.00 H new ATOM 0 HA GLN C 50 91.955 13.367 3.081 1.00 0.00 H new ATOM 0 HB2 GLN C 50 90.505 10.841 2.290 1.00 0.00 H new ATOM 0 HB3 GLN C 50 92.214 11.212 2.188 1.00 0.00 H new ATOM 0 HG2 GLN C 50 92.374 11.142 4.698 1.00 0.00 H new ATOM 0 HG3 GLN C 50 90.666 10.759 4.792 1.00 0.00 H new ATOM 0 HE21 GLN C 50 92.045 8.810 5.939 1.00 0.00 H new ATOM 0 HE22 GLN C 50 92.306 7.427 4.871 1.00 0.00 H new ATOM 781 N ASN C 51 90.733 14.311 1.143 1.00 0.00 N ATOM 782 CA ASN C 51 90.034 14.883 -0.004 1.00 0.00 C ATOM 783 C ASN C 51 90.829 14.659 -1.285 1.00 0.00 C ATOM 784 O ASN C 51 91.654 15.485 -1.674 1.00 0.00 O ATOM 785 CB ASN C 51 89.822 16.385 0.191 1.00 0.00 C ATOM 786 CG ASN C 51 89.023 16.942 -0.982 1.00 0.00 C ATOM 787 OD1 ASN C 51 87.803 17.086 -0.898 1.00 0.00 O ATOM 788 ND2 ASN C 51 89.643 17.266 -2.084 1.00 0.00 N ATOM 0 H ASN C 51 91.639 14.733 1.345 1.00 0.00 H new ATOM 0 HA ASN C 51 89.067 14.386 -0.086 1.00 0.00 H new ATOM 0 HB2 ASN C 51 89.293 16.570 1.126 1.00 0.00 H new ATOM 0 HB3 ASN C 51 90.784 16.893 0.263 1.00 0.00 H new ATOM 0 HD21 ASN C 51 89.117 17.638 -2.875 1.00 0.00 H new ATOM 0 HD22 ASN C 51 90.654 17.147 -2.154 1.00 0.00 H new ATOM 795 N PRO C 52 90.577 13.537 -1.951 1.00 0.00 N ATOM 796 CA PRO C 52 91.263 13.190 -3.206 1.00 0.00 C ATOM 797 C PRO C 52 90.623 13.858 -4.421 1.00 0.00 C ATOM 798 O PRO C 52 89.808 14.770 -4.289 1.00 0.00 O ATOM 799 CB PRO C 52 91.079 11.679 -3.262 1.00 0.00 C ATOM 800 CG PRO C 52 89.851 11.347 -2.419 1.00 0.00 C ATOM 801 CD PRO C 52 89.593 12.541 -1.492 1.00 0.00 C ATOM 0 HA PRO C 52 92.302 13.519 -3.227 1.00 0.00 H new ATOM 0 HB2 PRO C 52 90.942 11.345 -4.291 1.00 0.00 H new ATOM 0 HB3 PRO C 52 91.961 11.169 -2.876 1.00 0.00 H new ATOM 0 HG2 PRO C 52 88.986 11.163 -3.057 1.00 0.00 H new ATOM 0 HG3 PRO C 52 90.018 10.440 -1.838 1.00 0.00 H new ATOM 0 HD2 PRO C 52 88.572 12.910 -1.585 1.00 0.00 H new ATOM 0 HD3 PRO C 52 89.743 12.279 -0.445 1.00 0.00 H new ATOM 809 N THR C 53 91.002 13.389 -5.606 1.00 0.00 N ATOM 810 CA THR C 53 90.459 13.943 -6.841 1.00 0.00 C ATOM 811 C THR C 53 89.773 12.847 -7.652 1.00 0.00 C ATOM 812 O THR C 53 89.807 11.673 -7.285 1.00 0.00 O ATOM 813 CB THR C 53 91.575 14.564 -7.684 1.00 0.00 C ATOM 814 OG1 THR C 53 92.832 14.265 -7.094 1.00 0.00 O ATOM 815 CG2 THR C 53 91.385 16.080 -7.747 1.00 0.00 C ATOM 0 H THR C 53 91.676 12.635 -5.737 1.00 0.00 H new ATOM 0 HA THR C 53 89.733 14.713 -6.579 1.00 0.00 H new ATOM 0 HB THR C 53 91.541 14.155 -8.694 1.00 0.00 H new ATOM 0 HG1 THR C 53 93.549 14.660 -7.633 1.00 0.00 H new ATOM 0 HG21 THR C 53 92.180 16.522 -8.348 1.00 0.00 H new ATOM 0 HG22 THR C 53 90.420 16.307 -8.199 1.00 0.00 H new ATOM 0 HG23 THR C 53 91.419 16.493 -6.739 1.00 0.00 H new ATOM 823 N PRO C 54 89.149 13.225 -8.764 1.00 0.00 N ATOM 824 CA PRO C 54 88.451 12.267 -9.639 1.00 0.00 C ATOM 825 C PRO C 54 89.416 11.506 -10.543 1.00 0.00 C ATOM 826 O PRO C 54 89.081 10.458 -11.096 1.00 0.00 O ATOM 827 CB PRO C 54 87.543 13.176 -10.456 1.00 0.00 C ATOM 828 CG PRO C 54 88.174 14.564 -10.439 1.00 0.00 C ATOM 829 CD PRO C 54 89.102 14.627 -9.220 1.00 0.00 C ATOM 0 HA PRO C 54 87.923 11.492 -9.084 1.00 0.00 H new ATOM 0 HB2 PRO C 54 87.447 12.808 -11.478 1.00 0.00 H new ATOM 0 HB3 PRO C 54 86.540 13.203 -10.031 1.00 0.00 H new ATOM 0 HG2 PRO C 54 88.733 14.743 -11.357 1.00 0.00 H new ATOM 0 HG3 PRO C 54 87.406 15.335 -10.378 1.00 0.00 H new ATOM 0 HD2 PRO C 54 90.092 14.998 -9.485 1.00 0.00 H new ATOM 0 HD3 PRO C 54 88.710 15.289 -8.448 1.00 0.00 H new ATOM 837 N GLU C 55 90.621 12.050 -10.681 1.00 0.00 N ATOM 838 CA GLU C 55 91.641 11.423 -11.514 1.00 0.00 C ATOM 839 C GLU C 55 92.390 10.359 -10.719 1.00 0.00 C ATOM 840 O GLU C 55 92.691 9.279 -11.228 1.00 0.00 O ATOM 841 CB GLU C 55 92.635 12.470 -12.019 1.00 0.00 C ATOM 842 CG GLU C 55 91.881 13.749 -12.389 1.00 0.00 C ATOM 843 CD GLU C 55 92.560 14.416 -13.580 1.00 0.00 C ATOM 844 OE1 GLU C 55 93.600 15.021 -13.382 1.00 0.00 O ATOM 845 OE2 GLU C 55 92.029 14.310 -14.674 1.00 0.00 O ATOM 0 H GLU C 55 90.914 12.917 -10.231 1.00 0.00 H new ATOM 0 HA GLU C 55 91.147 10.957 -12.367 1.00 0.00 H new ATOM 0 HB2 GLU C 55 93.378 12.682 -11.251 1.00 0.00 H new ATOM 0 HB3 GLU C 55 93.173 12.088 -12.886 1.00 0.00 H new ATOM 0 HG2 GLU C 55 90.845 13.515 -12.632 1.00 0.00 H new ATOM 0 HG3 GLU C 55 91.862 14.431 -11.539 1.00 0.00 H new ATOM 852 N GLU C 56 92.681 10.673 -9.459 1.00 0.00 N ATOM 853 CA GLU C 56 93.388 9.733 -8.595 1.00 0.00 C ATOM 854 C GLU C 56 92.450 8.615 -8.161 1.00 0.00 C ATOM 855 O GLU C 56 92.855 7.462 -8.016 1.00 0.00 O ATOM 856 CB GLU C 56 93.926 10.443 -7.351 1.00 0.00 C ATOM 857 CG GLU C 56 95.391 10.820 -7.574 1.00 0.00 C ATOM 858 CD GLU C 56 96.223 9.552 -7.728 1.00 0.00 C ATOM 859 OE1 GLU C 56 95.905 8.574 -7.071 1.00 0.00 O ATOM 860 OE2 GLU C 56 97.166 9.576 -8.502 1.00 0.00 O ATOM 0 H GLU C 56 92.441 11.561 -9.018 1.00 0.00 H new ATOM 0 HA GLU C 56 94.223 9.316 -9.159 1.00 0.00 H new ATOM 0 HB2 GLU C 56 93.337 11.337 -7.145 1.00 0.00 H new ATOM 0 HB3 GLU C 56 93.835 9.794 -6.480 1.00 0.00 H new ATOM 0 HG2 GLU C 56 95.486 11.441 -8.465 1.00 0.00 H new ATOM 0 HG3 GLU C 56 95.758 11.409 -6.734 1.00 0.00 H new ATOM 867 N LEU C 57 91.186 8.973 -7.958 1.00 0.00 N ATOM 868 CA LEU C 57 90.184 7.997 -7.543 1.00 0.00 C ATOM 869 C LEU C 57 89.924 6.998 -8.665 1.00 0.00 C ATOM 870 O LEU C 57 89.613 5.832 -8.419 1.00 0.00 O ATOM 871 CB LEU C 57 88.874 8.699 -7.184 1.00 0.00 C ATOM 872 CG LEU C 57 88.990 9.318 -5.791 1.00 0.00 C ATOM 873 CD1 LEU C 57 87.665 9.987 -5.417 1.00 0.00 C ATOM 874 CD2 LEU C 57 89.312 8.222 -4.772 1.00 0.00 C ATOM 0 H LEU C 57 90.833 9.923 -8.073 1.00 0.00 H new ATOM 0 HA LEU C 57 90.564 7.470 -6.668 1.00 0.00 H new ATOM 0 HB2 LEU C 57 88.650 9.472 -7.919 1.00 0.00 H new ATOM 0 HB3 LEU C 57 88.049 7.987 -7.209 1.00 0.00 H new ATOM 0 HG LEU C 57 89.786 10.063 -5.790 1.00 0.00 H new ATOM 0 HD11 LEU C 57 87.748 10.428 -4.424 1.00 0.00 H new ATOM 0 HD12 LEU C 57 87.434 10.767 -6.142 1.00 0.00 H new ATOM 0 HD13 LEU C 57 86.869 9.243 -5.418 1.00 0.00 H new ATOM 0 HD21 LEU C 57 89.395 8.662 -3.778 1.00 0.00 H new ATOM 0 HD22 LEU C 57 88.515 7.478 -4.774 1.00 0.00 H new ATOM 0 HD23 LEU C 57 90.255 7.744 -5.037 1.00 0.00 H new ATOM 886 N GLN C 58 90.058 7.469 -9.902 1.00 0.00 N ATOM 887 CA GLN C 58 89.839 6.610 -11.062 1.00 0.00 C ATOM 888 C GLN C 58 90.668 5.337 -10.936 1.00 0.00 C ATOM 889 O GLN C 58 90.218 4.247 -11.287 1.00 0.00 O ATOM 890 CB GLN C 58 90.233 7.336 -12.349 1.00 0.00 C ATOM 891 CG GLN C 58 89.786 6.514 -13.560 1.00 0.00 C ATOM 892 CD GLN C 58 88.313 6.149 -13.414 1.00 0.00 C ATOM 893 OE1 GLN C 58 87.438 6.869 -13.895 1.00 0.00 O ATOM 894 NE2 GLN C 58 87.983 5.062 -12.772 1.00 0.00 N ATOM 0 H GLN C 58 90.314 8.431 -10.126 1.00 0.00 H new ATOM 0 HA GLN C 58 88.780 6.356 -11.102 1.00 0.00 H new ATOM 0 HB2 GLN C 58 89.772 8.323 -12.377 1.00 0.00 H new ATOM 0 HB3 GLN C 58 91.312 7.487 -12.378 1.00 0.00 H new ATOM 0 HG2 GLN C 58 89.941 7.084 -14.476 1.00 0.00 H new ATOM 0 HG3 GLN C 58 90.389 5.610 -13.641 1.00 0.00 H new ATOM 0 HE21 GLN C 58 88.708 4.465 -12.373 1.00 0.00 H new ATOM 0 HE22 GLN C 58 87.000 4.809 -12.669 1.00 0.00 H new ATOM 903 N GLU C 59 91.886 5.492 -10.427 1.00 0.00 N ATOM 904 CA GLU C 59 92.780 4.352 -10.251 1.00 0.00 C ATOM 905 C GLU C 59 92.186 3.365 -9.250 1.00 0.00 C ATOM 906 O GLU C 59 92.510 2.178 -9.259 1.00 0.00 O ATOM 907 CB GLU C 59 94.147 4.818 -9.746 1.00 0.00 C ATOM 908 CG GLU C 59 94.735 5.833 -10.729 1.00 0.00 C ATOM 909 CD GLU C 59 96.141 6.223 -10.283 1.00 0.00 C ATOM 910 OE1 GLU C 59 96.626 5.627 -9.335 1.00 0.00 O ATOM 911 OE2 GLU C 59 96.711 7.111 -10.895 1.00 0.00 O ATOM 0 H GLU C 59 92.275 6.387 -10.131 1.00 0.00 H new ATOM 0 HA GLU C 59 92.901 3.862 -11.217 1.00 0.00 H new ATOM 0 HB2 GLU C 59 94.048 5.268 -8.758 1.00 0.00 H new ATOM 0 HB3 GLU C 59 94.818 3.965 -9.642 1.00 0.00 H new ATOM 0 HG2 GLU C 59 94.766 5.407 -11.732 1.00 0.00 H new ATOM 0 HG3 GLU C 59 94.100 6.717 -10.778 1.00 0.00 H new ATOM 918 N MET C 60 91.308 3.873 -8.387 1.00 0.00 N ATOM 919 CA MET C 60 90.666 3.031 -7.380 1.00 0.00 C ATOM 920 C MET C 60 89.654 2.096 -8.036 1.00 0.00 C ATOM 921 O MET C 60 89.681 0.882 -7.830 1.00 0.00 O ATOM 922 CB MET C 60 89.946 3.894 -6.340 1.00 0.00 C ATOM 923 CG MET C 60 90.932 4.889 -5.725 1.00 0.00 C ATOM 924 SD MET C 60 91.846 4.087 -4.386 1.00 0.00 S ATOM 925 CE MET C 60 91.640 5.398 -3.155 1.00 0.00 C ATOM 0 H MET C 60 91.027 4.853 -8.364 1.00 0.00 H new ATOM 0 HA MET C 60 91.441 2.442 -6.889 1.00 0.00 H new ATOM 0 HB2 MET C 60 89.118 4.428 -6.807 1.00 0.00 H new ATOM 0 HB3 MET C 60 89.519 3.262 -5.561 1.00 0.00 H new ATOM 0 HG2 MET C 60 91.624 5.249 -6.487 1.00 0.00 H new ATOM 0 HG3 MET C 60 90.397 5.759 -5.344 1.00 0.00 H new ATOM 0 HE1 MET C 60 92.137 5.109 -2.229 1.00 0.00 H new ATOM 0 HE2 MET C 60 92.081 6.322 -3.530 1.00 0.00 H new ATOM 0 HE3 MET C 60 90.578 5.554 -2.964 1.00 0.00 H new ATOM 935 N ILE C 61 88.758 2.678 -8.829 1.00 0.00 N ATOM 936 CA ILE C 61 87.734 1.894 -9.515 1.00 0.00 C ATOM 937 C ILE C 61 88.380 0.926 -10.507 1.00 0.00 C ATOM 938 O ILE C 61 88.023 -0.250 -10.567 1.00 0.00 O ATOM 939 CB ILE C 61 86.762 2.828 -10.255 1.00 0.00 C ATOM 940 CG1 ILE C 61 85.744 3.397 -9.261 1.00 0.00 C ATOM 941 CG2 ILE C 61 86.014 2.056 -11.348 1.00 0.00 C ATOM 942 CD1 ILE C 61 86.457 3.851 -7.985 1.00 0.00 C ATOM 0 H ILE C 61 88.720 3.681 -9.012 1.00 0.00 H new ATOM 0 HA ILE C 61 87.181 1.319 -8.772 1.00 0.00 H new ATOM 0 HB ILE C 61 87.331 3.638 -10.711 1.00 0.00 H new ATOM 0 HG12 ILE C 61 85.215 4.237 -9.710 1.00 0.00 H new ATOM 0 HG13 ILE C 61 84.996 2.641 -9.021 1.00 0.00 H new ATOM 0 HG21 ILE C 61 85.329 2.728 -11.864 1.00 0.00 H new ATOM 0 HG22 ILE C 61 86.731 1.650 -12.062 1.00 0.00 H new ATOM 0 HG23 ILE C 61 85.450 1.240 -10.896 1.00 0.00 H new ATOM 0 HD11 ILE C 61 85.726 4.254 -7.284 1.00 0.00 H new ATOM 0 HD12 ILE C 61 86.966 3.001 -7.530 1.00 0.00 H new ATOM 0 HD13 ILE C 61 87.187 4.622 -8.231 1.00 0.00 H new ATOM 954 N ASP C 62 89.328 1.432 -11.288 1.00 0.00 N ATOM 955 CA ASP C 62 90.007 0.597 -12.276 1.00 0.00 C ATOM 956 C ASP C 62 90.352 -0.767 -11.688 1.00 0.00 C ATOM 957 O ASP C 62 90.194 -1.798 -12.342 1.00 0.00 O ATOM 958 CB ASP C 62 91.295 1.267 -12.757 1.00 0.00 C ATOM 959 CG ASP C 62 91.961 0.387 -13.808 1.00 0.00 C ATOM 960 OD1 ASP C 62 91.348 0.163 -14.839 1.00 0.00 O ATOM 961 OD2 ASP C 62 93.073 -0.053 -13.566 1.00 0.00 O ATOM 0 H ASP C 62 89.642 2.402 -11.259 1.00 0.00 H new ATOM 0 HA ASP C 62 89.327 0.467 -13.118 1.00 0.00 H new ATOM 0 HB2 ASP C 62 91.073 2.248 -13.176 1.00 0.00 H new ATOM 0 HB3 ASP C 62 91.972 1.425 -11.917 1.00 0.00 H new ATOM 966 N GLU C 63 90.827 -0.762 -10.447 1.00 0.00 N ATOM 967 CA GLU C 63 91.194 -2.010 -9.781 1.00 0.00 C ATOM 968 C GLU C 63 89.974 -2.914 -9.649 1.00 0.00 C ATOM 969 O GLU C 63 89.980 -4.064 -10.089 1.00 0.00 O ATOM 970 CB GLU C 63 91.756 -1.737 -8.383 1.00 0.00 C ATOM 971 CG GLU C 63 92.528 -0.416 -8.383 1.00 0.00 C ATOM 972 CD GLU C 63 93.862 -0.603 -7.668 1.00 0.00 C ATOM 973 OE1 GLU C 63 94.606 -1.485 -8.064 1.00 0.00 O ATOM 974 OE2 GLU C 63 94.119 0.137 -6.733 1.00 0.00 O ATOM 0 H GLU C 63 90.966 0.079 -9.887 1.00 0.00 H new ATOM 0 HA GLU C 63 91.957 -2.499 -10.387 1.00 0.00 H new ATOM 0 HB2 GLU C 63 90.944 -1.694 -7.657 1.00 0.00 H new ATOM 0 HB3 GLU C 63 92.413 -2.552 -8.079 1.00 0.00 H new ATOM 0 HG2 GLU C 63 92.696 -0.082 -9.407 1.00 0.00 H new ATOM 0 HG3 GLU C 63 91.943 0.359 -7.887 1.00 0.00 H new ATOM 981 N VAL C 64 88.930 -2.373 -9.031 1.00 0.00 N ATOM 982 CA VAL C 64 87.695 -3.125 -8.829 1.00 0.00 C ATOM 983 C VAL C 64 86.982 -3.361 -10.157 1.00 0.00 C ATOM 984 O VAL C 64 86.227 -4.322 -10.308 1.00 0.00 O ATOM 985 CB VAL C 64 86.758 -2.367 -7.888 1.00 0.00 C ATOM 986 CG1 VAL C 64 87.317 -2.416 -6.466 1.00 0.00 C ATOM 987 CG2 VAL C 64 86.647 -0.909 -8.343 1.00 0.00 C ATOM 0 H VAL C 64 88.913 -1.422 -8.663 1.00 0.00 H new ATOM 0 HA VAL C 64 87.958 -4.086 -8.387 1.00 0.00 H new ATOM 0 HB VAL C 64 85.771 -2.829 -7.907 1.00 0.00 H new ATOM 0 HG11 VAL C 64 86.650 -1.876 -5.794 1.00 0.00 H new ATOM 0 HG12 VAL C 64 87.396 -3.454 -6.142 1.00 0.00 H new ATOM 0 HG13 VAL C 64 88.304 -1.953 -6.447 1.00 0.00 H new ATOM 0 HG21 VAL C 64 85.979 -0.368 -7.672 1.00 0.00 H new ATOM 0 HG22 VAL C 64 87.633 -0.446 -8.324 1.00 0.00 H new ATOM 0 HG23 VAL C 64 86.249 -0.874 -9.357 1.00 0.00 H new ATOM 997 N ASP C 65 87.227 -2.474 -11.117 1.00 0.00 N ATOM 998 CA ASP C 65 86.596 -2.601 -12.426 1.00 0.00 C ATOM 999 C ASP C 65 87.321 -3.645 -13.269 1.00 0.00 C ATOM 1000 O ASP C 65 87.781 -3.361 -14.374 1.00 0.00 O ATOM 1001 CB ASP C 65 86.616 -1.260 -13.163 1.00 0.00 C ATOM 1002 CG ASP C 65 85.272 -0.562 -12.987 1.00 0.00 C ATOM 1003 OD1 ASP C 65 84.565 -0.907 -12.054 1.00 0.00 O ATOM 1004 OD2 ASP C 65 84.969 0.309 -13.786 1.00 0.00 O ATOM 0 H ASP C 65 87.848 -1.671 -11.016 1.00 0.00 H new ATOM 0 HA ASP C 65 85.563 -2.914 -12.272 1.00 0.00 H new ATOM 0 HB2 ASP C 65 87.418 -0.632 -12.775 1.00 0.00 H new ATOM 0 HB3 ASP C 65 86.820 -1.418 -14.222 1.00 0.00 H new ATOM 1009 N GLU C 66 87.416 -4.861 -12.734 1.00 0.00 N ATOM 1010 CA GLU C 66 88.085 -5.943 -13.451 1.00 0.00 C ATOM 1011 C GLU C 66 87.142 -6.568 -14.477 1.00 0.00 C ATOM 1012 O GLU C 66 87.543 -7.422 -15.269 1.00 0.00 O ATOM 1013 CB GLU C 66 88.554 -7.026 -12.477 1.00 0.00 C ATOM 1014 CG GLU C 66 90.076 -7.158 -12.561 1.00 0.00 C ATOM 1015 CD GLU C 66 90.530 -8.380 -11.771 1.00 0.00 C ATOM 1016 OE1 GLU C 66 89.932 -9.429 -11.945 1.00 0.00 O ATOM 1017 OE2 GLU C 66 91.469 -8.250 -11.003 1.00 0.00 O ATOM 0 H GLU C 66 87.044 -5.119 -11.820 1.00 0.00 H new ATOM 0 HA GLU C 66 88.949 -5.520 -13.963 1.00 0.00 H new ATOM 0 HB2 GLU C 66 88.255 -6.771 -11.460 1.00 0.00 H new ATOM 0 HB3 GLU C 66 88.081 -7.978 -12.719 1.00 0.00 H new ATOM 0 HG2 GLU C 66 90.386 -7.250 -13.602 1.00 0.00 H new ATOM 0 HG3 GLU C 66 90.551 -6.260 -12.165 1.00 0.00 H new ATOM 1024 N ASP C 67 85.886 -6.128 -14.460 1.00 0.00 N ATOM 1025 CA ASP C 67 84.895 -6.645 -15.398 1.00 0.00 C ATOM 1026 C ASP C 67 84.560 -5.584 -16.441 1.00 0.00 C ATOM 1027 O ASP C 67 84.171 -5.897 -17.566 1.00 0.00 O ATOM 1028 CB ASP C 67 83.613 -7.043 -14.662 1.00 0.00 C ATOM 1029 CG ASP C 67 83.391 -6.104 -13.481 1.00 0.00 C ATOM 1030 OD1 ASP C 67 83.838 -4.971 -13.558 1.00 0.00 O ATOM 1031 OD2 ASP C 67 82.776 -6.531 -12.517 1.00 0.00 O ATOM 0 H ASP C 67 85.534 -5.422 -13.814 1.00 0.00 H new ATOM 0 HA ASP C 67 85.315 -7.524 -15.887 1.00 0.00 H new ATOM 0 HB2 ASP C 67 82.762 -6.997 -15.342 1.00 0.00 H new ATOM 0 HB3 ASP C 67 83.687 -8.073 -14.312 1.00 0.00 H new ATOM 1036 N GLY C 68 84.722 -4.322 -16.051 1.00 0.00 N ATOM 1037 CA GLY C 68 84.440 -3.212 -16.956 1.00 0.00 C ATOM 1038 C GLY C 68 83.056 -2.630 -16.688 1.00 0.00 C ATOM 1039 O GLY C 68 82.365 -2.188 -17.606 1.00 0.00 O ATOM 0 H GLY C 68 85.044 -4.045 -15.124 1.00 0.00 H new ATOM 0 HA2 GLY C 68 85.195 -2.436 -16.833 1.00 0.00 H new ATOM 0 HA3 GLY C 68 84.501 -3.555 -17.989 1.00 0.00 H new ATOM 1043 N SER C 69 82.658 -2.633 -15.418 1.00 0.00 N ATOM 1044 CA SER C 69 81.351 -2.101 -15.042 1.00 0.00 C ATOM 1045 C SER C 69 81.381 -0.575 -15.025 1.00 0.00 C ATOM 1046 O SER C 69 80.405 0.082 -15.385 1.00 0.00 O ATOM 1047 CB SER C 69 80.942 -2.608 -13.659 1.00 0.00 C ATOM 1048 OG SER C 69 81.792 -3.684 -13.283 1.00 0.00 O ATOM 0 H SER C 69 83.213 -2.993 -14.641 1.00 0.00 H new ATOM 0 HA SER C 69 80.625 -2.442 -15.780 1.00 0.00 H new ATOM 0 HB2 SER C 69 81.011 -1.802 -12.928 1.00 0.00 H new ATOM 0 HB3 SER C 69 79.903 -2.938 -13.672 1.00 0.00 H new ATOM 0 HG SER C 69 81.533 -4.011 -12.396 1.00 0.00 H new ATOM 1054 N GLY C 70 82.514 -0.020 -14.603 1.00 0.00 N ATOM 1055 CA GLY C 70 82.663 1.433 -14.545 1.00 0.00 C ATOM 1056 C GLY C 70 82.421 1.953 -13.130 1.00 0.00 C ATOM 1057 O GLY C 70 82.639 3.129 -12.842 1.00 0.00 O ATOM 0 H GLY C 70 83.334 -0.546 -14.299 1.00 0.00 H new ATOM 0 HA2 GLY C 70 83.664 1.713 -14.872 1.00 0.00 H new ATOM 0 HA3 GLY C 70 81.960 1.902 -15.234 1.00 0.00 H new ATOM 1061 N THR C 71 81.967 1.063 -12.251 1.00 0.00 N ATOM 1062 CA THR C 71 81.698 1.443 -10.866 1.00 0.00 C ATOM 1063 C THR C 71 82.089 0.311 -9.919 1.00 0.00 C ATOM 1064 O THR C 71 82.631 -0.710 -10.340 1.00 0.00 O ATOM 1065 CB THR C 71 80.213 1.762 -10.676 1.00 0.00 C ATOM 1066 OG1 THR C 71 79.438 0.616 -10.998 1.00 0.00 O ATOM 1067 CG2 THR C 71 79.815 2.923 -11.591 1.00 0.00 C ATOM 0 H THR C 71 81.779 0.084 -12.469 1.00 0.00 H new ATOM 0 HA THR C 71 82.290 2.329 -10.639 1.00 0.00 H new ATOM 0 HB THR C 71 80.033 2.043 -9.638 1.00 0.00 H new ATOM 0 HG1 THR C 71 78.487 0.819 -10.875 1.00 0.00 H new ATOM 0 HG21 THR C 71 78.757 3.148 -11.454 1.00 0.00 H new ATOM 0 HG22 THR C 71 80.409 3.803 -11.342 1.00 0.00 H new ATOM 0 HG23 THR C 71 79.995 2.646 -12.630 1.00 0.00 H new ATOM 1075 N VAL C 72 81.808 0.507 -8.633 1.00 0.00 N ATOM 1076 CA VAL C 72 82.136 -0.504 -7.627 1.00 0.00 C ATOM 1077 C VAL C 72 80.897 -0.860 -6.810 1.00 0.00 C ATOM 1078 O VAL C 72 80.665 -0.307 -5.735 1.00 0.00 O ATOM 1079 CB VAL C 72 83.228 0.004 -6.677 1.00 0.00 C ATOM 1080 CG1 VAL C 72 84.185 -1.139 -6.337 1.00 0.00 C ATOM 1081 CG2 VAL C 72 84.014 1.139 -7.343 1.00 0.00 C ATOM 0 H VAL C 72 81.359 1.346 -8.264 1.00 0.00 H new ATOM 0 HA VAL C 72 82.499 -1.388 -8.151 1.00 0.00 H new ATOM 0 HB VAL C 72 82.760 0.375 -5.765 1.00 0.00 H new ATOM 0 HG11 VAL C 72 84.960 -0.776 -5.662 1.00 0.00 H new ATOM 0 HG12 VAL C 72 83.632 -1.945 -5.855 1.00 0.00 H new ATOM 0 HG13 VAL C 72 84.646 -1.512 -7.252 1.00 0.00 H new ATOM 0 HG21 VAL C 72 84.787 1.494 -6.662 1.00 0.00 H new ATOM 0 HG22 VAL C 72 84.477 0.772 -8.259 1.00 0.00 H new ATOM 0 HG23 VAL C 72 83.337 1.959 -7.582 1.00 0.00 H new ATOM 1091 N ASP C 73 80.102 -1.790 -7.333 1.00 0.00 N ATOM 1092 CA ASP C 73 78.885 -2.214 -6.645 1.00 0.00 C ATOM 1093 C ASP C 73 79.189 -2.589 -5.198 1.00 0.00 C ATOM 1094 O ASP C 73 80.323 -2.471 -4.734 1.00 0.00 O ATOM 1095 CB ASP C 73 78.260 -3.418 -7.353 1.00 0.00 C ATOM 1096 CG ASP C 73 79.267 -4.562 -7.396 1.00 0.00 C ATOM 1097 OD1 ASP C 73 79.973 -4.741 -6.418 1.00 0.00 O ATOM 1098 OD2 ASP C 73 79.317 -5.243 -8.407 1.00 0.00 O ATOM 0 H ASP C 73 80.275 -2.260 -8.221 1.00 0.00 H new ATOM 0 HA ASP C 73 78.184 -1.380 -6.662 1.00 0.00 H new ATOM 0 HB2 ASP C 73 77.358 -3.733 -6.829 1.00 0.00 H new ATOM 0 HB3 ASP C 73 77.962 -3.144 -8.365 1.00 0.00 H new ATOM 1103 N PHE C 74 78.156 -3.040 -4.491 1.00 0.00 N ATOM 1104 CA PHE C 74 78.309 -3.430 -3.090 1.00 0.00 C ATOM 1105 C PHE C 74 79.146 -4.702 -2.967 1.00 0.00 C ATOM 1106 O PHE C 74 79.481 -5.133 -1.863 1.00 0.00 O ATOM 1107 CB PHE C 74 76.938 -3.678 -2.458 1.00 0.00 C ATOM 1108 CG PHE C 74 77.114 -4.198 -1.050 1.00 0.00 C ATOM 1109 CD1 PHE C 74 77.850 -3.459 -0.118 1.00 0.00 C ATOM 1110 CD2 PHE C 74 76.537 -5.419 -0.678 1.00 0.00 C ATOM 1111 CE1 PHE C 74 78.010 -3.939 1.188 1.00 0.00 C ATOM 1112 CE2 PHE C 74 76.698 -5.900 0.628 1.00 0.00 C ATOM 1113 CZ PHE C 74 77.434 -5.160 1.561 1.00 0.00 C ATOM 0 H PHE C 74 77.211 -3.144 -4.860 1.00 0.00 H new ATOM 0 HA PHE C 74 78.815 -2.616 -2.571 1.00 0.00 H new ATOM 0 HB2 PHE C 74 76.360 -2.754 -2.445 1.00 0.00 H new ATOM 0 HB3 PHE C 74 76.376 -4.397 -3.054 1.00 0.00 H new ATOM 0 HD1 PHE C 74 78.295 -2.518 -0.406 1.00 0.00 H new ATOM 0 HD2 PHE C 74 75.968 -5.989 -1.398 1.00 0.00 H new ATOM 0 HE1 PHE C 74 78.578 -3.368 1.908 1.00 0.00 H new ATOM 0 HE2 PHE C 74 76.254 -6.842 0.915 1.00 0.00 H new ATOM 0 HZ PHE C 74 77.558 -5.530 2.568 1.00 0.00 H new ATOM 1123 N ASP C 75 79.478 -5.301 -4.107 1.00 0.00 N ATOM 1124 CA ASP C 75 80.272 -6.528 -4.103 1.00 0.00 C ATOM 1125 C ASP C 75 81.764 -6.207 -4.139 1.00 0.00 C ATOM 1126 O ASP C 75 82.435 -6.190 -3.107 1.00 0.00 O ATOM 1127 CB ASP C 75 79.922 -7.398 -5.311 1.00 0.00 C ATOM 1128 CG ASP C 75 79.282 -8.697 -4.832 1.00 0.00 C ATOM 1129 OD1 ASP C 75 78.180 -8.636 -4.314 1.00 0.00 O ATOM 1130 OD2 ASP C 75 79.906 -9.734 -4.990 1.00 0.00 O ATOM 0 H ASP C 75 79.215 -4.964 -5.033 1.00 0.00 H new ATOM 0 HA ASP C 75 80.041 -7.069 -3.185 1.00 0.00 H new ATOM 0 HB2 ASP C 75 79.238 -6.865 -5.971 1.00 0.00 H new ATOM 0 HB3 ASP C 75 80.820 -7.614 -5.890 1.00 0.00 H new ATOM 1135 N GLU C 76 82.276 -5.962 -5.342 1.00 0.00 N ATOM 1136 CA GLU C 76 83.695 -5.652 -5.508 1.00 0.00 C ATOM 1137 C GLU C 76 84.153 -4.629 -4.473 1.00 0.00 C ATOM 1138 O GLU C 76 85.322 -4.598 -4.089 1.00 0.00 O ATOM 1139 CB GLU C 76 83.968 -5.099 -6.910 1.00 0.00 C ATOM 1140 CG GLU C 76 82.914 -4.047 -7.264 1.00 0.00 C ATOM 1141 CD GLU C 76 83.100 -3.609 -8.713 1.00 0.00 C ATOM 1142 OE1 GLU C 76 84.194 -3.776 -9.225 1.00 0.00 O ATOM 1143 OE2 GLU C 76 82.145 -3.114 -9.288 1.00 0.00 O ATOM 0 H GLU C 76 81.737 -5.971 -6.208 1.00 0.00 H new ATOM 0 HA GLU C 76 84.252 -6.579 -5.368 1.00 0.00 H new ATOM 0 HB2 GLU C 76 84.964 -4.658 -6.950 1.00 0.00 H new ATOM 0 HB3 GLU C 76 83.948 -5.908 -7.641 1.00 0.00 H new ATOM 0 HG2 GLU C 76 81.914 -4.457 -7.122 1.00 0.00 H new ATOM 0 HG3 GLU C 76 83.004 -3.188 -6.599 1.00 0.00 H new ATOM 1150 N PHE C 77 83.224 -3.791 -4.022 1.00 0.00 N ATOM 1151 CA PHE C 77 83.558 -2.774 -3.028 1.00 0.00 C ATOM 1152 C PHE C 77 84.127 -3.427 -1.774 1.00 0.00 C ATOM 1153 O PHE C 77 85.270 -3.177 -1.390 1.00 0.00 O ATOM 1154 CB PHE C 77 82.321 -1.957 -2.646 1.00 0.00 C ATOM 1155 CG PHE C 77 82.681 -0.946 -1.577 1.00 0.00 C ATOM 1156 CD1 PHE C 77 84.024 -0.650 -1.302 1.00 0.00 C ATOM 1157 CD2 PHE C 77 81.666 -0.303 -0.860 1.00 0.00 C ATOM 1158 CE1 PHE C 77 84.348 0.286 -0.313 1.00 0.00 C ATOM 1159 CE2 PHE C 77 81.990 0.633 0.129 1.00 0.00 C ATOM 1160 CZ PHE C 77 83.331 0.928 0.403 1.00 0.00 C ATOM 0 H PHE C 77 82.249 -3.794 -4.322 1.00 0.00 H new ATOM 0 HA PHE C 77 84.303 -2.111 -3.468 1.00 0.00 H new ATOM 0 HB2 PHE C 77 81.927 -1.446 -3.524 1.00 0.00 H new ATOM 0 HB3 PHE C 77 81.535 -2.619 -2.283 1.00 0.00 H new ATOM 0 HD1 PHE C 77 84.809 -1.145 -1.854 1.00 0.00 H new ATOM 0 HD2 PHE C 77 80.631 -0.529 -1.070 1.00 0.00 H new ATOM 0 HE1 PHE C 77 85.383 0.513 -0.102 1.00 0.00 H new ATOM 0 HE2 PHE C 77 81.205 1.128 0.681 1.00 0.00 H new ATOM 0 HZ PHE C 77 83.580 1.650 1.166 1.00 0.00 H new ATOM 1170 N LEU C 78 83.316 -4.270 -1.143 1.00 0.00 N ATOM 1171 CA LEU C 78 83.745 -4.963 0.068 1.00 0.00 C ATOM 1172 C LEU C 78 85.003 -5.781 -0.209 1.00 0.00 C ATOM 1173 O LEU C 78 86.051 -5.564 0.399 1.00 0.00 O ATOM 1174 CB LEU C 78 82.642 -5.901 0.565 1.00 0.00 C ATOM 1175 CG LEU C 78 81.785 -5.180 1.607 1.00 0.00 C ATOM 1176 CD1 LEU C 78 80.354 -5.720 1.555 1.00 0.00 C ATOM 1177 CD2 LEU C 78 82.368 -5.422 3.000 1.00 0.00 C ATOM 0 H LEU C 78 82.367 -4.489 -1.446 1.00 0.00 H new ATOM 0 HA LEU C 78 83.956 -4.214 0.831 1.00 0.00 H new ATOM 0 HB2 LEU C 78 82.021 -6.223 -0.271 1.00 0.00 H new ATOM 0 HB3 LEU C 78 83.082 -6.798 1.000 1.00 0.00 H new ATOM 0 HG LEU C 78 81.778 -4.111 1.394 1.00 0.00 H new ATOM 0 HD11 LEU C 78 79.744 -5.206 2.298 1.00 0.00 H new ATOM 0 HD12 LEU C 78 79.937 -5.550 0.562 1.00 0.00 H new ATOM 0 HD13 LEU C 78 80.361 -6.789 1.768 1.00 0.00 H new ATOM 0 HD21 LEU C 78 81.758 -4.909 3.744 1.00 0.00 H new ATOM 0 HD22 LEU C 78 82.374 -6.491 3.211 1.00 0.00 H new ATOM 0 HD23 LEU C 78 83.388 -5.039 3.039 1.00 0.00 H new ATOM 1189 N VAL C 79 84.884 -6.724 -1.138 1.00 0.00 N ATOM 1190 CA VAL C 79 86.013 -7.576 -1.498 1.00 0.00 C ATOM 1191 C VAL C 79 87.290 -6.749 -1.618 1.00 0.00 C ATOM 1192 O VAL C 79 88.273 -6.993 -0.920 1.00 0.00 O ATOM 1193 CB VAL C 79 85.744 -8.278 -2.830 1.00 0.00 C ATOM 1194 CG1 VAL C 79 87.017 -8.981 -3.306 1.00 0.00 C ATOM 1195 CG2 VAL C 79 84.631 -9.311 -2.642 1.00 0.00 C ATOM 0 H VAL C 79 84.024 -6.917 -1.652 1.00 0.00 H new ATOM 0 HA VAL C 79 86.139 -8.321 -0.712 1.00 0.00 H new ATOM 0 HB VAL C 79 85.439 -7.542 -3.574 1.00 0.00 H new ATOM 0 HG11 VAL C 79 86.823 -9.481 -4.255 1.00 0.00 H new ATOM 0 HG12 VAL C 79 87.811 -8.246 -3.438 1.00 0.00 H new ATOM 0 HG13 VAL C 79 87.325 -9.718 -2.564 1.00 0.00 H new ATOM 0 HG21 VAL C 79 84.437 -9.813 -3.590 1.00 0.00 H new ATOM 0 HG22 VAL C 79 84.939 -10.046 -1.898 1.00 0.00 H new ATOM 0 HG23 VAL C 79 83.724 -8.811 -2.304 1.00 0.00 H new ATOM 1205 N MET C 80 87.262 -5.766 -2.512 1.00 0.00 N ATOM 1206 CA MET C 80 88.421 -4.902 -2.722 1.00 0.00 C ATOM 1207 C MET C 80 89.127 -4.617 -1.399 1.00 0.00 C ATOM 1208 O MET C 80 90.340 -4.791 -1.274 1.00 0.00 O ATOM 1209 CB MET C 80 87.987 -3.575 -3.348 1.00 0.00 C ATOM 1210 CG MET C 80 89.223 -2.754 -3.717 1.00 0.00 C ATOM 1211 SD MET C 80 89.445 -1.423 -2.510 1.00 0.00 S ATOM 1212 CE MET C 80 88.474 -0.166 -3.376 1.00 0.00 C ATOM 0 H MET C 80 86.457 -5.548 -3.099 1.00 0.00 H new ATOM 0 HA MET C 80 89.107 -5.418 -3.393 1.00 0.00 H new ATOM 0 HB2 MET C 80 87.383 -3.761 -4.236 1.00 0.00 H new ATOM 0 HB3 MET C 80 87.363 -3.018 -2.649 1.00 0.00 H new ATOM 0 HG2 MET C 80 90.105 -3.394 -3.736 1.00 0.00 H new ATOM 0 HG3 MET C 80 89.110 -2.337 -4.718 1.00 0.00 H new ATOM 0 HE1 MET C 80 88.476 0.758 -2.797 1.00 0.00 H new ATOM 0 HE2 MET C 80 88.911 0.020 -4.357 1.00 0.00 H new ATOM 0 HE3 MET C 80 87.449 -0.517 -3.496 1.00 0.00 H new ATOM 1222 N MET C 81 88.353 -4.168 -0.415 1.00 0.00 N ATOM 1223 CA MET C 81 88.909 -3.849 0.899 1.00 0.00 C ATOM 1224 C MET C 81 89.533 -5.083 1.543 1.00 0.00 C ATOM 1225 O MET C 81 90.739 -5.130 1.787 1.00 0.00 O ATOM 1226 CB MET C 81 87.817 -3.307 1.822 1.00 0.00 C ATOM 1227 CG MET C 81 88.246 -1.945 2.371 1.00 0.00 C ATOM 1228 SD MET C 81 87.073 -0.680 1.825 1.00 0.00 S ATOM 1229 CE MET C 81 87.815 -0.375 0.203 1.00 0.00 C ATOM 0 H MET C 81 87.348 -4.017 -0.499 1.00 0.00 H new ATOM 0 HA MET C 81 89.680 -3.092 0.756 1.00 0.00 H new ATOM 0 HB2 MET C 81 86.878 -3.212 1.276 1.00 0.00 H new ATOM 0 HB3 MET C 81 87.640 -4.003 2.642 1.00 0.00 H new ATOM 0 HG2 MET C 81 88.284 -1.975 3.460 1.00 0.00 H new ATOM 0 HG3 MET C 81 89.250 -1.700 2.023 1.00 0.00 H new ATOM 0 HE1 MET C 81 87.636 0.659 -0.090 1.00 0.00 H new ATOM 0 HE2 MET C 81 88.888 -0.557 0.254 1.00 0.00 H new ATOM 0 HE3 MET C 81 87.368 -1.043 -0.533 1.00 0.00 H new ATOM 1239 N VAL C 82 88.696 -6.078 1.825 1.00 0.00 N ATOM 1240 CA VAL C 82 89.176 -7.307 2.451 1.00 0.00 C ATOM 1241 C VAL C 82 90.307 -7.923 1.626 1.00 0.00 C ATOM 1242 O VAL C 82 91.231 -8.530 2.168 1.00 0.00 O ATOM 1243 CB VAL C 82 88.025 -8.313 2.603 1.00 0.00 C ATOM 1244 CG1 VAL C 82 87.840 -9.117 1.312 1.00 0.00 C ATOM 1245 CG2 VAL C 82 88.339 -9.268 3.756 1.00 0.00 C ATOM 0 H VAL C 82 87.694 -6.059 1.633 1.00 0.00 H new ATOM 0 HA VAL C 82 89.561 -7.061 3.441 1.00 0.00 H new ATOM 0 HB VAL C 82 87.104 -7.767 2.810 1.00 0.00 H new ATOM 0 HG11 VAL C 82 87.020 -9.825 1.438 1.00 0.00 H new ATOM 0 HG12 VAL C 82 87.610 -8.438 0.491 1.00 0.00 H new ATOM 0 HG13 VAL C 82 88.758 -9.661 1.087 1.00 0.00 H new ATOM 0 HG21 VAL C 82 87.525 -9.984 3.868 1.00 0.00 H new ATOM 0 HG22 VAL C 82 89.265 -9.802 3.544 1.00 0.00 H new ATOM 0 HG23 VAL C 82 88.451 -8.699 4.679 1.00 0.00 H new ATOM 1255 N ARG C 83 90.222 -7.754 0.309 1.00 0.00 N ATOM 1256 CA ARG C 83 91.243 -8.292 -0.588 1.00 0.00 C ATOM 1257 C ARG C 83 92.612 -7.715 -0.238 1.00 0.00 C ATOM 1258 O ARG C 83 93.620 -8.422 -0.241 1.00 0.00 O ATOM 1259 CB ARG C 83 90.915 -7.947 -2.043 1.00 0.00 C ATOM 1260 CG ARG C 83 90.931 -9.220 -2.892 1.00 0.00 C ATOM 1261 CD ARG C 83 90.527 -8.880 -4.329 1.00 0.00 C ATOM 1262 NE ARG C 83 90.464 -10.087 -5.150 1.00 0.00 N ATOM 1263 CZ ARG C 83 89.829 -10.088 -6.320 1.00 0.00 C ATOM 1264 NH1 ARG C 83 89.247 -9.002 -6.749 1.00 0.00 N ATOM 1265 NH2 ARG C 83 89.786 -11.177 -7.039 1.00 0.00 N ATOM 0 H ARG C 83 89.465 -7.254 -0.158 1.00 0.00 H new ATOM 0 HA ARG C 83 91.261 -9.375 -0.468 1.00 0.00 H new ATOM 0 HB2 ARG C 83 89.936 -7.471 -2.102 1.00 0.00 H new ATOM 0 HB3 ARG C 83 91.641 -7.232 -2.430 1.00 0.00 H new ATOM 0 HG2 ARG C 83 91.925 -9.667 -2.878 1.00 0.00 H new ATOM 0 HG3 ARG C 83 90.245 -9.957 -2.475 1.00 0.00 H new ATOM 0 HD2 ARG C 83 89.557 -8.383 -4.331 1.00 0.00 H new ATOM 0 HD3 ARG C 83 91.245 -8.180 -4.757 1.00 0.00 H new ATOM 0 HE ARG C 83 90.913 -10.942 -4.822 1.00 0.00 H new ATOM 0 HH11 ARG C 83 89.278 -8.151 -6.188 1.00 0.00 H new ATOM 0 HH12 ARG C 83 88.761 -9.004 -7.646 1.00 0.00 H new ATOM 0 HH21 ARG C 83 90.239 -12.027 -6.704 1.00 0.00 H new ATOM 0 HH22 ARG C 83 89.299 -11.177 -7.935 1.00 0.00 H new ATOM 1279 N CYS C 84 92.634 -6.419 0.063 1.00 0.00 N ATOM 1280 CA CYS C 84 93.883 -5.747 0.414 1.00 0.00 C ATOM 1281 C CYS C 84 94.242 -6.014 1.873 1.00 0.00 C ATOM 1282 O CYS C 84 95.382 -6.347 2.196 1.00 0.00 O ATOM 1283 CB CYS C 84 93.756 -4.237 0.201 1.00 0.00 C ATOM 1284 SG CYS C 84 93.636 -3.885 -1.570 1.00 0.00 S ATOM 0 H CYS C 84 91.810 -5.818 0.071 1.00 0.00 H new ATOM 0 HA CYS C 84 94.669 -6.141 -0.231 1.00 0.00 H new ATOM 0 HB2 CYS C 84 92.874 -3.859 0.718 1.00 0.00 H new ATOM 0 HB3 CYS C 84 94.619 -3.725 0.627 1.00 0.00 H new ATOM 0 HG CYS C 84 92.422 -4.110 -1.976 1.00 0.00 H new ATOM 1290 N MET C 85 93.254 -5.858 2.750 1.00 0.00 N ATOM 1291 CA MET C 85 93.468 -6.079 4.178 1.00 0.00 C ATOM 1292 C MET C 85 94.037 -7.473 4.429 1.00 0.00 C ATOM 1293 O MET C 85 94.971 -7.645 5.213 1.00 0.00 O ATOM 1294 CB MET C 85 92.151 -5.931 4.943 1.00 0.00 C ATOM 1295 CG MET C 85 91.887 -4.451 5.225 1.00 0.00 C ATOM 1296 SD MET C 85 90.472 -4.291 6.341 1.00 0.00 S ATOM 1297 CE MET C 85 89.308 -3.606 5.137 1.00 0.00 C ATOM 0 H MET C 85 92.304 -5.582 2.500 1.00 0.00 H new ATOM 0 HA MET C 85 94.180 -5.332 4.530 1.00 0.00 H new ATOM 0 HB2 MET C 85 91.331 -6.353 4.362 1.00 0.00 H new ATOM 0 HB3 MET C 85 92.198 -6.488 5.879 1.00 0.00 H new ATOM 0 HG2 MET C 85 92.769 -3.992 5.671 1.00 0.00 H new ATOM 0 HG3 MET C 85 91.690 -3.922 4.293 1.00 0.00 H new ATOM 0 HE1 MET C 85 89.055 -2.583 5.416 1.00 0.00 H new ATOM 0 HE2 MET C 85 89.764 -3.610 4.147 1.00 0.00 H new ATOM 0 HE3 MET C 85 88.402 -4.212 5.121 1.00 0.00 H new ATOM 1307 N LYS C 86 93.462 -8.466 3.757 1.00 0.00 N ATOM 1308 CA LYS C 86 93.920 -9.844 3.917 1.00 0.00 C ATOM 1309 C LYS C 86 95.391 -9.967 3.528 1.00 0.00 C ATOM 1310 O LYS C 86 96.102 -10.851 4.005 1.00 0.00 O ATOM 1311 CB LYS C 86 93.094 -10.789 3.041 1.00 0.00 C ATOM 1312 CG LYS C 86 92.097 -11.556 3.912 1.00 0.00 C ATOM 1313 CD LYS C 86 92.084 -13.027 3.495 1.00 0.00 C ATOM 1314 CE LYS C 86 91.665 -13.137 2.027 1.00 0.00 C ATOM 1315 NZ LYS C 86 90.781 -14.324 1.854 1.00 0.00 N ATOM 0 H LYS C 86 92.688 -8.346 3.104 1.00 0.00 H new ATOM 0 HA LYS C 86 93.796 -10.118 4.965 1.00 0.00 H new ATOM 0 HB2 LYS C 86 92.563 -10.222 2.276 1.00 0.00 H new ATOM 0 HB3 LYS C 86 93.751 -11.487 2.522 1.00 0.00 H new ATOM 0 HG2 LYS C 86 92.372 -11.467 4.963 1.00 0.00 H new ATOM 0 HG3 LYS C 86 91.100 -11.128 3.806 1.00 0.00 H new ATOM 0 HD2 LYS C 86 93.072 -13.465 3.636 1.00 0.00 H new ATOM 0 HD3 LYS C 86 91.394 -13.589 4.124 1.00 0.00 H new ATOM 0 HE2 LYS C 86 91.142 -12.232 1.717 1.00 0.00 H new ATOM 0 HE3 LYS C 86 92.546 -13.230 1.392 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 91.063 -14.845 0.999 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 90.869 -14.946 2.683 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 89.794 -14.011 1.759 1.00 0.00 H new ATOM 1392 N ILE I 148 94.140 0.946 3.846 1.00 0.00 N ATOM 1393 CA ILE I 148 92.719 0.929 4.186 1.00 0.00 C ATOM 1394 C ILE I 148 92.535 0.896 5.701 1.00 0.00 C ATOM 1395 O ILE I 148 93.350 0.332 6.430 1.00 0.00 O ATOM 1396 CB ILE I 148 92.034 -0.294 3.561 1.00 0.00 C ATOM 1397 CG1 ILE I 148 91.800 -0.032 2.072 1.00 0.00 C ATOM 1398 CG2 ILE I 148 90.685 -0.550 4.242 1.00 0.00 C ATOM 1399 CD1 ILE I 148 90.847 1.154 1.911 1.00 0.00 C ATOM 0 HA ILE I 148 92.263 1.836 3.790 1.00 0.00 H new ATOM 0 HB ILE I 148 92.673 -1.167 3.694 1.00 0.00 H new ATOM 0 HG12 ILE I 148 92.747 0.178 1.575 1.00 0.00 H new ATOM 0 HG13 ILE I 148 91.380 -0.918 1.597 1.00 0.00 H new ATOM 0 HG21 ILE I 148 90.209 -1.420 3.790 1.00 0.00 H new ATOM 0 HG22 ILE I 148 90.843 -0.734 5.305 1.00 0.00 H new ATOM 0 HG23 ILE I 148 90.043 0.322 4.116 1.00 0.00 H new ATOM 0 HD11 ILE I 148 90.678 1.344 0.851 1.00 0.00 H new ATOM 0 HD12 ILE I 148 89.897 0.926 2.395 1.00 0.00 H new ATOM 0 HD13 ILE I 148 91.286 2.039 2.372 1.00 0.00 H new ATOM 1411 N SER I 149 91.448 1.508 6.161 1.00 0.00 N ATOM 1412 CA SER I 149 91.152 1.547 7.589 1.00 0.00 C ATOM 1413 C SER I 149 89.663 1.776 7.814 1.00 0.00 C ATOM 1414 O SER I 149 88.948 2.234 6.923 1.00 0.00 O ATOM 1415 CB SER I 149 91.938 2.667 8.270 1.00 0.00 C ATOM 1416 OG SER I 149 92.893 2.099 9.157 1.00 0.00 O ATOM 0 H SER I 149 90.763 1.980 5.571 1.00 0.00 H new ATOM 0 HA SER I 149 91.443 0.589 8.020 1.00 0.00 H new ATOM 0 HB2 SER I 149 92.440 3.281 7.522 1.00 0.00 H new ATOM 0 HB3 SER I 149 91.260 3.322 8.818 1.00 0.00 H new ATOM 0 HG SER I 149 93.400 2.815 9.594 1.00 0.00 H new ATOM 1422 N ALA I 150 89.203 1.451 9.017 1.00 0.00 N ATOM 1423 CA ALA I 150 87.794 1.623 9.352 1.00 0.00 C ATOM 1424 C ALA I 150 87.615 2.791 10.318 1.00 0.00 C ATOM 1425 O ALA I 150 86.508 3.298 10.502 1.00 0.00 O ATOM 1426 CB ALA I 150 87.239 0.351 9.995 1.00 0.00 C ATOM 0 H ALA I 150 89.778 1.071 9.769 1.00 0.00 H new ATOM 0 HA ALA I 150 87.250 1.829 8.430 1.00 0.00 H new ATOM 0 HB1 ALA I 150 86.187 0.496 10.239 1.00 0.00 H new ATOM 0 HB2 ALA I 150 87.339 -0.482 9.299 1.00 0.00 H new ATOM 0 HB3 ALA I 150 87.796 0.131 10.906 1.00 0.00 H new ATOM 1432 N ASP I 151 88.717 3.210 10.932 1.00 0.00 N ATOM 1433 CA ASP I 151 88.676 4.320 11.879 1.00 0.00 C ATOM 1434 C ASP I 151 88.783 5.653 11.146 1.00 0.00 C ATOM 1435 O ASP I 151 88.413 6.701 11.676 1.00 0.00 O ATOM 1436 CB ASP I 151 89.826 4.211 12.883 1.00 0.00 C ATOM 1437 CG ASP I 151 89.612 5.211 14.013 1.00 0.00 C ATOM 1438 OD1 ASP I 151 88.617 5.916 13.974 1.00 0.00 O ATOM 1439 OD2 ASP I 151 90.446 5.259 14.902 1.00 0.00 O ATOM 0 H ASP I 151 89.642 2.802 10.793 1.00 0.00 H new ATOM 0 HA ASP I 151 87.725 4.273 12.409 1.00 0.00 H new ATOM 0 HB2 ASP I 151 89.878 3.199 13.284 1.00 0.00 H new ATOM 0 HB3 ASP I 151 90.776 4.406 12.386 1.00 0.00 H new ATOM 1444 N ALA I 152 89.298 5.602 9.921 1.00 0.00 N ATOM 1445 CA ALA I 152 89.456 6.813 9.120 1.00 0.00 C ATOM 1446 C ALA I 152 88.113 7.266 8.556 1.00 0.00 C ATOM 1447 O ALA I 152 87.731 8.429 8.685 1.00 0.00 O ATOM 1448 CB ALA I 152 90.424 6.565 7.962 1.00 0.00 C ATOM 0 H ALA I 152 89.610 4.745 9.464 1.00 0.00 H new ATOM 0 HA ALA I 152 89.855 7.592 9.769 1.00 0.00 H new ATOM 0 HB1 ALA I 152 90.531 7.477 7.375 1.00 0.00 H new ATOM 0 HB2 ALA I 152 91.397 6.272 8.357 1.00 0.00 H new ATOM 0 HB3 ALA I 152 90.036 5.769 7.327 1.00 0.00 H new ATOM 1454 N MET I 153 87.403 6.336 7.923 1.00 0.00 N ATOM 1455 CA MET I 153 86.104 6.654 7.336 1.00 0.00 C ATOM 1456 C MET I 153 85.040 6.791 8.421 1.00 0.00 C ATOM 1457 O MET I 153 84.019 7.451 8.228 1.00 0.00 O ATOM 1458 CB MET I 153 85.676 5.557 6.359 1.00 0.00 C ATOM 1459 CG MET I 153 85.430 4.256 7.126 1.00 0.00 C ATOM 1460 SD MET I 153 86.307 2.900 6.309 1.00 0.00 S ATOM 1461 CE MET I 153 85.043 2.525 5.069 1.00 0.00 C ATOM 0 H MET I 153 87.700 5.368 7.804 1.00 0.00 H new ATOM 0 HA MET I 153 86.202 7.601 6.804 1.00 0.00 H new ATOM 0 HB2 MET I 153 84.770 5.858 5.832 1.00 0.00 H new ATOM 0 HB3 MET I 153 86.448 5.406 5.605 1.00 0.00 H new ATOM 0 HG2 MET I 153 85.773 4.358 8.155 1.00 0.00 H new ATOM 0 HG3 MET I 153 84.362 4.041 7.166 1.00 0.00 H new ATOM 0 HE1 MET I 153 85.498 1.991 4.235 1.00 0.00 H new ATOM 0 HE2 MET I 153 84.267 1.905 5.517 1.00 0.00 H new ATOM 0 HE3 MET I 153 84.602 3.454 4.707 1.00 0.00 H new ATOM 1471 N MET I 154 85.290 6.158 9.564 1.00 0.00 N ATOM 1472 CA MET I 154 84.343 6.213 10.675 1.00 0.00 C ATOM 1473 C MET I 154 83.854 7.642 10.893 1.00 0.00 C ATOM 1474 O MET I 154 82.703 7.868 11.266 1.00 0.00 O ATOM 1475 CB MET I 154 84.997 5.707 11.962 1.00 0.00 C ATOM 1476 CG MET I 154 84.364 4.373 12.364 1.00 0.00 C ATOM 1477 SD MET I 154 83.509 4.563 13.947 1.00 0.00 S ATOM 1478 CE MET I 154 82.073 3.533 13.556 1.00 0.00 C ATOM 0 H MET I 154 86.129 5.607 9.745 1.00 0.00 H new ATOM 0 HA MET I 154 83.495 5.575 10.424 1.00 0.00 H new ATOM 0 HB2 MET I 154 86.070 5.583 11.813 1.00 0.00 H new ATOM 0 HB3 MET I 154 84.868 6.438 12.760 1.00 0.00 H new ATOM 0 HG2 MET I 154 83.662 4.045 11.597 1.00 0.00 H new ATOM 0 HG3 MET I 154 85.132 3.603 12.443 1.00 0.00 H new ATOM 0 HE1 MET I 154 81.180 4.157 13.507 1.00 0.00 H new ATOM 0 HE2 MET I 154 82.227 3.044 12.594 1.00 0.00 H new ATOM 0 HE3 MET I 154 81.945 2.778 14.331 1.00 0.00 H new ATOM 1488 N GLN I 155 84.741 8.604 10.657 1.00 0.00 N ATOM 1489 CA GLN I 155 84.387 10.010 10.832 1.00 0.00 C ATOM 1490 C GLN I 155 83.163 10.361 9.990 1.00 0.00 C ATOM 1491 O GLN I 155 82.334 11.181 10.385 1.00 0.00 O ATOM 1492 CB GLN I 155 85.551 10.916 10.421 1.00 0.00 C ATOM 1493 CG GLN I 155 86.606 10.926 11.529 1.00 0.00 C ATOM 1494 CD GLN I 155 87.990 10.727 10.920 1.00 0.00 C ATOM 1495 OE1 GLN I 155 88.826 10.018 11.480 1.00 0.00 O ATOM 1496 NE2 GLN I 155 88.285 11.317 9.794 1.00 0.00 N ATOM 0 H GLN I 155 85.699 8.440 10.348 1.00 0.00 H new ATOM 0 HA GLN I 155 84.162 10.168 11.887 1.00 0.00 H new ATOM 0 HB2 GLN I 155 85.991 10.561 9.489 1.00 0.00 H new ATOM 0 HB3 GLN I 155 85.191 11.928 10.238 1.00 0.00 H new ATOM 0 HG2 GLN I 155 86.569 11.871 12.072 1.00 0.00 H new ATOM 0 HG3 GLN I 155 86.398 10.136 12.250 1.00 0.00 H new ATOM 0 HE21 GLN I 155 87.593 11.905 9.329 1.00 0.00 H new ATOM 0 HE22 GLN I 155 89.208 11.190 9.378 1.00 0.00 H new ATOM 1505 N ALA I 156 83.059 9.729 8.823 1.00 0.00 N ATOM 1506 CA ALA I 156 81.932 9.979 7.927 1.00 0.00 C ATOM 1507 C ALA I 156 80.670 9.297 8.445 1.00 0.00 C ATOM 1508 O ALA I 156 79.587 9.458 7.881 1.00 0.00 O ATOM 1509 CB ALA I 156 82.239 9.452 6.524 1.00 0.00 C ATOM 0 H ALA I 156 83.734 9.047 8.478 1.00 0.00 H new ATOM 0 HA ALA I 156 81.770 11.056 7.887 1.00 0.00 H new ATOM 0 HB1 ALA I 156 81.390 9.646 5.869 1.00 0.00 H new ATOM 0 HB2 ALA I 156 83.123 9.955 6.132 1.00 0.00 H new ATOM 0 HB3 ALA I 156 82.424 8.379 6.571 1.00 0.00 H new ATOM 1515 N LEU I 157 80.816 8.533 9.523 1.00 0.00 N ATOM 1516 CA LEU I 157 79.673 7.833 10.100 1.00 0.00 C ATOM 1517 C LEU I 157 79.450 8.271 11.545 1.00 0.00 C ATOM 1518 O LEU I 157 78.499 8.990 11.850 1.00 0.00 O ATOM 1519 CB LEU I 157 79.897 6.320 10.056 1.00 0.00 C ATOM 1520 CG LEU I 157 80.103 5.875 8.604 1.00 0.00 C ATOM 1521 CD1 LEU I 157 79.046 6.526 7.710 1.00 0.00 C ATOM 1522 CD2 LEU I 157 81.496 6.299 8.132 1.00 0.00 C ATOM 0 H LEU I 157 81.700 8.384 10.009 1.00 0.00 H new ATOM 0 HA LEU I 157 78.790 8.083 9.511 1.00 0.00 H new ATOM 0 HB2 LEU I 157 80.767 6.053 10.656 1.00 0.00 H new ATOM 0 HB3 LEU I 157 79.041 5.802 10.488 1.00 0.00 H new ATOM 0 HG LEU I 157 80.011 4.791 8.544 1.00 0.00 H new ATOM 0 HD11 LEU I 157 79.196 6.207 6.678 1.00 0.00 H new ATOM 0 HD12 LEU I 157 78.053 6.225 8.042 1.00 0.00 H new ATOM 0 HD13 LEU I 157 79.136 7.611 7.771 1.00 0.00 H new ATOM 0 HD21 LEU I 157 81.642 5.982 7.099 1.00 0.00 H new ATOM 0 HD22 LEU I 157 81.587 7.383 8.195 1.00 0.00 H new ATOM 0 HD23 LEU I 157 82.252 5.834 8.765 1.00 0.00 H new