USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=19 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 133:sc= -3.74! (180deg=-6.61!) USER MOD Single : C 5 TYR OH : rot 30:sc= 0 USER MOD Single : C 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 13 THR OG1 : rot 180:sc= 0.0132 USER MOD Single : C 16 GLN : amide:sc= -14.3! C(o=-14!,f=-18!) USER MOD Single : C 17 LYS NZ :NH3+ 142:sc= -0.416 (180deg=-1.8!) USER MOD Single : C 18 ASN : amide:sc= -1.31 K(o=-1.3,f=-3.7!) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 CYS SG : rot -7:sc= 0.128 USER MOD Single : C 37 SER OG : rot 136:sc= 1.04 USER MOD Single : C 38 THR OG1 : rot 180:sc= -0.432 USER MOD Single : C 39 LYS NZ :NH3+ -179:sc= -0.0258 (180deg=-0.0317) USER MOD Single : C 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 45 MET CE :methyl 167:sc= -0.0248 (180deg=-0.413) USER MOD Single : C 47 MET CE :methyl -152:sc= -7.79! (180deg=-10.1!) USER MOD Single : C 50 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : C 51 ASN : amide:sc= -2.64! C(o=-2.6!,f=-7.5!) USER MOD Single : C 53 THR OG1 : rot 180:sc= -0.612 USER MOD Single : C 58 GLN : amide:sc= -0.217 X(o=-0.22,f=0) USER MOD Single : C 60 MET CE :methyl -148:sc= -0.0143 (180deg=-0.0923) USER MOD Single : C 69 SER OG : rot 104:sc= 0.109 USER MOD Single : C 71 THR OG1 : rot 180:sc= 0 USER MOD Single : C 84 CYS SG : rot -20:sc= 0.872 USER MOD Single : C 85 MET CE :methyl -142:sc= -1.57 (180deg=-2.67) USER MOD Single : C 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : I 149 SER OG : rot 180:sc= 0 USER MOD Single : I 153 MET CE :methyl -121:sc= -0.698 (180deg=-2.9) USER MOD Single : I 154 MET CE :methyl -152:sc= -6.55! (180deg=-8.74!) USER MOD Single : I 155 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 63 N TYR C 5 86.245 -15.870 -0.268 1.00 0.00 N ATOM 64 CA TYR C 5 86.156 -14.567 0.385 1.00 0.00 C ATOM 65 C TYR C 5 85.187 -14.628 1.560 1.00 0.00 C ATOM 66 O TYR C 5 85.452 -14.086 2.632 1.00 0.00 O ATOM 67 CB TYR C 5 85.678 -13.499 -0.601 1.00 0.00 C ATOM 68 CG TYR C 5 86.788 -13.187 -1.572 1.00 0.00 C ATOM 69 CD1 TYR C 5 86.921 -13.939 -2.744 1.00 0.00 C ATOM 70 CD2 TYR C 5 87.687 -12.149 -1.300 1.00 0.00 C ATOM 71 CE1 TYR C 5 87.953 -13.655 -3.645 1.00 0.00 C ATOM 72 CE2 TYR C 5 88.719 -11.864 -2.202 1.00 0.00 C ATOM 73 CZ TYR C 5 88.853 -12.618 -3.374 1.00 0.00 C ATOM 74 OH TYR C 5 89.870 -12.338 -4.264 1.00 0.00 O ATOM 0 HA TYR C 5 87.151 -14.304 0.745 1.00 0.00 H new ATOM 0 HB2 TYR C 5 84.797 -13.851 -1.138 1.00 0.00 H new ATOM 0 HB3 TYR C 5 85.384 -12.597 -0.064 1.00 0.00 H new ATOM 0 HD1 TYR C 5 86.227 -14.739 -2.953 1.00 0.00 H new ATOM 0 HD2 TYR C 5 87.585 -11.569 -0.395 1.00 0.00 H new ATOM 0 HE1 TYR C 5 88.055 -14.236 -4.550 1.00 0.00 H new ATOM 0 HE2 TYR C 5 89.412 -11.062 -1.994 1.00 0.00 H new ATOM 0 HH TYR C 5 89.582 -12.566 -5.172 1.00 0.00 H new ATOM 84 N LYS C 6 84.058 -15.297 1.344 1.00 0.00 N ATOM 85 CA LYS C 6 83.052 -15.426 2.393 1.00 0.00 C ATOM 86 C LYS C 6 83.720 -15.739 3.727 1.00 0.00 C ATOM 87 O LYS C 6 83.275 -15.288 4.783 1.00 0.00 O ATOM 88 CB LYS C 6 82.064 -16.543 2.054 1.00 0.00 C ATOM 89 CG LYS C 6 81.111 -16.066 0.955 1.00 0.00 C ATOM 90 CD LYS C 6 79.933 -15.323 1.588 1.00 0.00 C ATOM 91 CE LYS C 6 78.619 -15.917 1.077 1.00 0.00 C ATOM 92 NZ LYS C 6 77.825 -14.855 0.396 1.00 0.00 N ATOM 0 H LYS C 6 83.819 -15.753 0.464 1.00 0.00 H new ATOM 0 HA LYS C 6 82.515 -14.481 2.466 1.00 0.00 H new ATOM 0 HB2 LYS C 6 82.602 -17.431 1.723 1.00 0.00 H new ATOM 0 HB3 LYS C 6 81.499 -16.825 2.942 1.00 0.00 H new ATOM 0 HG2 LYS C 6 81.638 -15.411 0.261 1.00 0.00 H new ATOM 0 HG3 LYS C 6 80.750 -16.917 0.377 1.00 0.00 H new ATOM 0 HD2 LYS C 6 79.981 -15.401 2.674 1.00 0.00 H new ATOM 0 HD3 LYS C 6 79.984 -14.262 1.342 1.00 0.00 H new ATOM 0 HE2 LYS C 6 78.822 -16.734 0.385 1.00 0.00 H new ATOM 0 HE3 LYS C 6 78.050 -16.336 1.907 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 76.932 -15.258 0.048 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 77.620 -14.089 1.069 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 78.368 -14.475 -0.405 1.00 0.00 H new ATOM 106 N ALA C 7 84.797 -16.517 3.665 1.00 0.00 N ATOM 107 CA ALA C 7 85.527 -16.884 4.874 1.00 0.00 C ATOM 108 C ALA C 7 85.975 -15.631 5.617 1.00 0.00 C ATOM 109 O ALA C 7 85.460 -15.308 6.687 1.00 0.00 O ATOM 110 CB ALA C 7 86.756 -17.725 4.524 1.00 0.00 C ATOM 0 H ALA C 7 85.180 -16.902 2.801 1.00 0.00 H new ATOM 0 HA ALA C 7 84.861 -17.468 5.509 1.00 0.00 H new ATOM 0 HB1 ALA C 7 87.288 -17.989 5.438 1.00 0.00 H new ATOM 0 HB2 ALA C 7 86.441 -18.634 4.012 1.00 0.00 H new ATOM 0 HB3 ALA C 7 87.416 -17.152 3.873 1.00 0.00 H new ATOM 116 N ALA C 8 86.937 -14.923 5.031 1.00 0.00 N ATOM 117 CA ALA C 8 87.445 -13.699 5.641 1.00 0.00 C ATOM 118 C ALA C 8 86.283 -12.798 6.046 1.00 0.00 C ATOM 119 O ALA C 8 86.339 -12.105 7.062 1.00 0.00 O ATOM 120 CB ALA C 8 88.348 -12.944 4.663 1.00 0.00 C ATOM 0 H ALA C 8 87.376 -15.172 4.145 1.00 0.00 H new ATOM 0 HA ALA C 8 88.024 -13.972 6.523 1.00 0.00 H new ATOM 0 HB1 ALA C 8 88.717 -12.034 5.137 1.00 0.00 H new ATOM 0 HB2 ALA C 8 89.191 -13.576 4.385 1.00 0.00 H new ATOM 0 HB3 ALA C 8 87.780 -12.684 3.770 1.00 0.00 H new ATOM 126 N VAL C 9 85.225 -12.821 5.238 1.00 0.00 N ATOM 127 CA VAL C 9 84.045 -12.008 5.518 1.00 0.00 C ATOM 128 C VAL C 9 83.232 -12.634 6.646 1.00 0.00 C ATOM 129 O VAL C 9 82.480 -11.952 7.342 1.00 0.00 O ATOM 130 CB VAL C 9 83.164 -11.889 4.272 1.00 0.00 C ATOM 131 CG1 VAL C 9 81.829 -11.244 4.650 1.00 0.00 C ATOM 132 CG2 VAL C 9 83.872 -11.021 3.230 1.00 0.00 C ATOM 0 H VAL C 9 85.161 -13.388 4.392 1.00 0.00 H new ATOM 0 HA VAL C 9 84.381 -11.014 5.815 1.00 0.00 H new ATOM 0 HB VAL C 9 82.983 -12.881 3.858 1.00 0.00 H new ATOM 0 HG11 VAL C 9 81.202 -11.159 3.763 1.00 0.00 H new ATOM 0 HG12 VAL C 9 81.324 -11.861 5.394 1.00 0.00 H new ATOM 0 HG13 VAL C 9 82.009 -10.252 5.063 1.00 0.00 H new ATOM 0 HG21 VAL C 9 83.246 -10.935 2.342 1.00 0.00 H new ATOM 0 HG22 VAL C 9 84.052 -10.029 3.644 1.00 0.00 H new ATOM 0 HG23 VAL C 9 84.823 -11.480 2.960 1.00 0.00 H new ATOM 142 N GLU C 10 83.399 -13.942 6.822 1.00 0.00 N ATOM 143 CA GLU C 10 82.684 -14.656 7.875 1.00 0.00 C ATOM 144 C GLU C 10 83.448 -14.535 9.187 1.00 0.00 C ATOM 145 O GLU C 10 82.861 -14.359 10.255 1.00 0.00 O ATOM 146 CB GLU C 10 82.533 -16.136 7.516 1.00 0.00 C ATOM 147 CG GLU C 10 81.392 -16.305 6.511 1.00 0.00 C ATOM 148 CD GLU C 10 80.165 -16.868 7.223 1.00 0.00 C ATOM 149 OE1 GLU C 10 79.411 -16.082 7.772 1.00 0.00 O ATOM 150 OE2 GLU C 10 79.998 -18.076 7.207 1.00 0.00 O ATOM 0 H GLU C 10 84.016 -14.524 6.256 1.00 0.00 H new ATOM 0 HA GLU C 10 81.693 -14.214 7.980 1.00 0.00 H new ATOM 0 HB2 GLU C 10 83.463 -16.515 7.093 1.00 0.00 H new ATOM 0 HB3 GLU C 10 82.330 -16.720 8.414 1.00 0.00 H new ATOM 0 HG2 GLU C 10 81.151 -15.345 6.053 1.00 0.00 H new ATOM 0 HG3 GLU C 10 81.698 -16.974 5.707 1.00 0.00 H new ATOM 157 N GLN C 11 84.771 -14.620 9.087 1.00 0.00 N ATOM 158 CA GLN C 11 85.624 -14.507 10.264 1.00 0.00 C ATOM 159 C GLN C 11 85.238 -13.273 11.064 1.00 0.00 C ATOM 160 O GLN C 11 85.255 -13.276 12.295 1.00 0.00 O ATOM 161 CB GLN C 11 87.088 -14.370 9.849 1.00 0.00 C ATOM 162 CG GLN C 11 87.553 -15.654 9.157 1.00 0.00 C ATOM 163 CD GLN C 11 88.891 -16.092 9.743 1.00 0.00 C ATOM 164 OE1 GLN C 11 88.940 -16.957 10.618 1.00 0.00 O ATOM 165 NE2 GLN C 11 89.992 -15.541 9.310 1.00 0.00 N ATOM 0 H GLN C 11 85.272 -14.766 8.211 1.00 0.00 H new ATOM 0 HA GLN C 11 85.494 -15.406 10.867 1.00 0.00 H new ATOM 0 HB2 GLN C 11 87.207 -13.520 9.177 1.00 0.00 H new ATOM 0 HB3 GLN C 11 87.707 -14.173 10.724 1.00 0.00 H new ATOM 0 HG2 GLN C 11 86.811 -16.441 9.290 1.00 0.00 H new ATOM 0 HG3 GLN C 11 87.651 -15.487 8.084 1.00 0.00 H new ATOM 0 HE21 GLN C 11 89.953 -14.824 8.585 1.00 0.00 H new ATOM 0 HE22 GLN C 11 90.892 -15.827 9.696 1.00 0.00 H new ATOM 174 N LEU C 12 84.899 -12.211 10.341 1.00 0.00 N ATOM 175 CA LEU C 12 84.518 -10.958 10.978 1.00 0.00 C ATOM 176 C LEU C 12 83.208 -11.118 11.740 1.00 0.00 C ATOM 177 O LEU C 12 82.310 -11.846 11.319 1.00 0.00 O ATOM 178 CB LEU C 12 84.353 -9.855 9.931 1.00 0.00 C ATOM 179 CG LEU C 12 85.652 -9.701 9.137 1.00 0.00 C ATOM 180 CD1 LEU C 12 85.612 -8.396 8.340 1.00 0.00 C ATOM 181 CD2 LEU C 12 86.840 -9.671 10.102 1.00 0.00 C ATOM 0 H LEU C 12 84.880 -12.193 9.321 1.00 0.00 H new ATOM 0 HA LEU C 12 85.310 -10.684 11.675 1.00 0.00 H new ATOM 0 HB2 LEU C 12 83.531 -10.099 9.258 1.00 0.00 H new ATOM 0 HB3 LEU C 12 84.099 -8.913 10.417 1.00 0.00 H new ATOM 0 HG LEU C 12 85.760 -10.542 8.452 1.00 0.00 H new ATOM 0 HD11 LEU C 12 86.537 -8.287 7.775 1.00 0.00 H new ATOM 0 HD12 LEU C 12 84.767 -8.415 7.652 1.00 0.00 H new ATOM 0 HD13 LEU C 12 85.503 -7.555 9.025 1.00 0.00 H new ATOM 0 HD21 LEU C 12 87.765 -9.561 9.537 1.00 0.00 H new ATOM 0 HD22 LEU C 12 86.731 -8.830 10.787 1.00 0.00 H new ATOM 0 HD23 LEU C 12 86.870 -10.600 10.671 1.00 0.00 H new ATOM 193 N THR C 13 83.110 -10.421 12.868 1.00 0.00 N ATOM 194 CA THR C 13 81.904 -10.481 13.687 1.00 0.00 C ATOM 195 C THR C 13 80.971 -9.329 13.331 1.00 0.00 C ATOM 196 O THR C 13 81.414 -8.264 12.901 1.00 0.00 O ATOM 197 CB THR C 13 82.260 -10.395 15.173 1.00 0.00 C ATOM 198 OG1 THR C 13 83.665 -10.535 15.329 1.00 0.00 O ATOM 199 CG2 THR C 13 81.545 -11.511 15.938 1.00 0.00 C ATOM 0 H THR C 13 83.844 -9.814 13.233 1.00 0.00 H new ATOM 0 HA THR C 13 81.406 -11.431 13.491 1.00 0.00 H new ATOM 0 HB THR C 13 81.944 -9.429 15.568 1.00 0.00 H new ATOM 0 HG1 THR C 13 83.896 -10.479 16.280 1.00 0.00 H new ATOM 0 HG21 THR C 13 81.800 -11.448 16.996 1.00 0.00 H new ATOM 0 HG22 THR C 13 80.467 -11.402 15.817 1.00 0.00 H new ATOM 0 HG23 THR C 13 81.858 -12.479 15.546 1.00 0.00 H new ATOM 207 N GLU C 14 79.674 -9.553 13.511 1.00 0.00 N ATOM 208 CA GLU C 14 78.686 -8.523 13.202 1.00 0.00 C ATOM 209 C GLU C 14 79.142 -7.171 13.742 1.00 0.00 C ATOM 210 O GLU C 14 78.769 -6.120 13.220 1.00 0.00 O ATOM 211 CB GLU C 14 77.330 -8.876 13.815 1.00 0.00 C ATOM 212 CG GLU C 14 77.386 -8.677 15.332 1.00 0.00 C ATOM 213 CD GLU C 14 76.226 -9.418 15.988 1.00 0.00 C ATOM 214 OE1 GLU C 14 75.112 -8.927 15.905 1.00 0.00 O ATOM 215 OE2 GLU C 14 76.468 -10.465 16.564 1.00 0.00 O ATOM 0 H GLU C 14 79.284 -10.427 13.865 1.00 0.00 H new ATOM 0 HA GLU C 14 78.586 -8.467 12.118 1.00 0.00 H new ATOM 0 HB2 GLU C 14 76.550 -8.248 13.384 1.00 0.00 H new ATOM 0 HB3 GLU C 14 77.072 -9.909 13.583 1.00 0.00 H new ATOM 0 HG2 GLU C 14 78.334 -9.046 15.723 1.00 0.00 H new ATOM 0 HG3 GLU C 14 77.335 -7.615 15.572 1.00 0.00 H new ATOM 222 N GLU C 15 79.955 -7.209 14.795 1.00 0.00 N ATOM 223 CA GLU C 15 80.458 -5.978 15.398 1.00 0.00 C ATOM 224 C GLU C 15 81.089 -5.090 14.335 1.00 0.00 C ATOM 225 O GLU C 15 80.645 -3.967 14.099 1.00 0.00 O ATOM 226 CB GLU C 15 81.511 -6.284 16.465 1.00 0.00 C ATOM 227 CG GLU C 15 80.935 -7.257 17.494 1.00 0.00 C ATOM 228 CD GLU C 15 81.215 -6.735 18.900 1.00 0.00 C ATOM 229 OE1 GLU C 15 82.330 -6.302 19.139 1.00 0.00 O ATOM 230 OE2 GLU C 15 80.310 -6.775 19.716 1.00 0.00 O ATOM 0 H GLU C 15 80.276 -8.067 15.243 1.00 0.00 H new ATOM 0 HA GLU C 15 79.613 -5.466 15.859 1.00 0.00 H new ATOM 0 HB2 GLU C 15 82.399 -6.714 16.001 1.00 0.00 H new ATOM 0 HB3 GLU C 15 81.823 -5.362 16.957 1.00 0.00 H new ATOM 0 HG2 GLU C 15 79.861 -7.369 17.343 1.00 0.00 H new ATOM 0 HG3 GLU C 15 81.380 -8.244 17.366 1.00 0.00 H new ATOM 237 N GLN C 16 82.137 -5.606 13.699 1.00 0.00 N ATOM 238 CA GLN C 16 82.827 -4.845 12.665 1.00 0.00 C ATOM 239 C GLN C 16 81.887 -4.618 11.479 1.00 0.00 C ATOM 240 O GLN C 16 81.726 -3.499 11.004 1.00 0.00 O ATOM 241 CB GLN C 16 84.119 -5.579 12.227 1.00 0.00 C ATOM 242 CG GLN C 16 84.104 -5.918 10.729 1.00 0.00 C ATOM 243 CD GLN C 16 85.520 -6.254 10.273 1.00 0.00 C ATOM 244 OE1 GLN C 16 86.083 -7.272 10.674 1.00 0.00 O ATOM 245 NE2 GLN C 16 86.137 -5.446 9.454 1.00 0.00 N ATOM 0 H GLN C 16 82.522 -6.534 13.878 1.00 0.00 H new ATOM 0 HA GLN C 16 83.118 -3.873 13.064 1.00 0.00 H new ATOM 0 HB2 GLN C 16 84.985 -4.955 12.450 1.00 0.00 H new ATOM 0 HB3 GLN C 16 84.230 -6.496 12.806 1.00 0.00 H new ATOM 0 HG2 GLN C 16 83.440 -6.762 10.542 1.00 0.00 H new ATOM 0 HG3 GLN C 16 83.716 -5.075 10.158 1.00 0.00 H new ATOM 0 HE21 GLN C 16 85.670 -4.602 9.122 1.00 0.00 H new ATOM 0 HE22 GLN C 16 87.086 -5.659 9.146 1.00 0.00 H new ATOM 254 N LYS C 17 81.270 -5.697 11.010 1.00 0.00 N ATOM 255 CA LYS C 17 80.349 -5.605 9.879 1.00 0.00 C ATOM 256 C LYS C 17 79.491 -4.347 9.980 1.00 0.00 C ATOM 257 O LYS C 17 79.282 -3.639 8.994 1.00 0.00 O ATOM 258 CB LYS C 17 79.429 -6.826 9.839 1.00 0.00 C ATOM 259 CG LYS C 17 80.273 -8.099 9.755 1.00 0.00 C ATOM 260 CD LYS C 17 81.165 -8.039 8.514 1.00 0.00 C ATOM 261 CE LYS C 17 81.155 -9.399 7.816 1.00 0.00 C ATOM 262 NZ LYS C 17 79.749 -9.796 7.522 1.00 0.00 N ATOM 0 H LYS C 17 81.388 -6.637 11.389 1.00 0.00 H new ATOM 0 HA LYS C 17 80.946 -5.564 8.968 1.00 0.00 H new ATOM 0 HB2 LYS C 17 78.802 -6.851 10.730 1.00 0.00 H new ATOM 0 HB3 LYS C 17 78.761 -6.763 8.980 1.00 0.00 H new ATOM 0 HG2 LYS C 17 80.885 -8.202 10.651 1.00 0.00 H new ATOM 0 HG3 LYS C 17 79.626 -8.975 9.709 1.00 0.00 H new ATOM 0 HD2 LYS C 17 80.809 -7.266 7.833 1.00 0.00 H new ATOM 0 HD3 LYS C 17 82.183 -7.770 8.797 1.00 0.00 H new ATOM 0 HE2 LYS C 17 81.731 -9.350 6.892 1.00 0.00 H new ATOM 0 HE3 LYS C 17 81.631 -10.148 8.449 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 79.708 -10.270 6.597 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 79.411 -10.447 8.259 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 79.146 -8.949 7.504 1.00 0.00 H new ATOM 276 N ASN C 18 78.987 -4.083 11.183 1.00 0.00 N ATOM 277 CA ASN C 18 78.141 -2.912 11.408 1.00 0.00 C ATOM 278 C ASN C 18 78.858 -1.631 10.989 1.00 0.00 C ATOM 279 O ASN C 18 78.224 -0.649 10.602 1.00 0.00 O ATOM 280 CB ASN C 18 77.753 -2.808 12.885 1.00 0.00 C ATOM 281 CG ASN C 18 76.940 -4.035 13.286 1.00 0.00 C ATOM 282 OD1 ASN C 18 76.572 -4.849 12.440 1.00 0.00 O ATOM 283 ND2 ASN C 18 76.636 -4.216 14.542 1.00 0.00 N ATOM 0 H ASN C 18 79.147 -4.657 12.010 1.00 0.00 H new ATOM 0 HA ASN C 18 77.243 -3.032 10.802 1.00 0.00 H new ATOM 0 HB2 ASN C 18 78.648 -2.734 13.503 1.00 0.00 H new ATOM 0 HB3 ASN C 18 77.172 -1.902 13.056 1.00 0.00 H new ATOM 0 HD21 ASN C 18 76.093 -5.033 14.823 1.00 0.00 H new ATOM 0 HD22 ASN C 18 76.941 -3.541 15.243 1.00 0.00 H new ATOM 290 N GLU C 19 80.185 -1.650 11.068 1.00 0.00 N ATOM 291 CA GLU C 19 80.974 -0.481 10.691 1.00 0.00 C ATOM 292 C GLU C 19 81.050 -0.367 9.170 1.00 0.00 C ATOM 293 O GLU C 19 80.802 0.693 8.593 1.00 0.00 O ATOM 294 CB GLU C 19 82.389 -0.571 11.295 1.00 0.00 C ATOM 295 CG GLU C 19 83.378 -1.219 10.315 1.00 0.00 C ATOM 296 CD GLU C 19 84.774 -1.221 10.931 1.00 0.00 C ATOM 297 OE1 GLU C 19 84.884 -0.895 12.101 1.00 0.00 O ATOM 298 OE2 GLU C 19 85.712 -1.550 10.223 1.00 0.00 O ATOM 0 H GLU C 19 80.731 -2.451 11.385 1.00 0.00 H new ATOM 0 HA GLU C 19 80.488 0.412 11.084 1.00 0.00 H new ATOM 0 HB2 GLU C 19 82.738 0.428 11.559 1.00 0.00 H new ATOM 0 HB3 GLU C 19 82.356 -1.151 12.217 1.00 0.00 H new ATOM 0 HG2 GLU C 19 83.067 -2.239 10.088 1.00 0.00 H new ATOM 0 HG3 GLU C 19 83.385 -0.671 9.373 1.00 0.00 H new ATOM 305 N PHE C 20 81.392 -1.479 8.534 1.00 0.00 N ATOM 306 CA PHE C 20 81.499 -1.521 7.078 1.00 0.00 C ATOM 307 C PHE C 20 80.169 -1.134 6.436 1.00 0.00 C ATOM 308 O PHE C 20 80.136 -0.517 5.371 1.00 0.00 O ATOM 309 CB PHE C 20 81.886 -2.926 6.612 1.00 0.00 C ATOM 310 CG PHE C 20 83.308 -2.917 6.102 1.00 0.00 C ATOM 311 CD1 PHE C 20 83.727 -1.920 5.214 1.00 0.00 C ATOM 312 CD2 PHE C 20 84.206 -3.908 6.517 1.00 0.00 C ATOM 313 CE1 PHE C 20 85.045 -1.913 4.741 1.00 0.00 C ATOM 314 CE2 PHE C 20 85.524 -3.901 6.044 1.00 0.00 C ATOM 315 CZ PHE C 20 85.943 -2.903 5.156 1.00 0.00 C ATOM 0 H PHE C 20 81.600 -2.362 8.999 1.00 0.00 H new ATOM 0 HA PHE C 20 82.270 -0.812 6.775 1.00 0.00 H new ATOM 0 HB2 PHE C 20 81.789 -3.633 7.436 1.00 0.00 H new ATOM 0 HB3 PHE C 20 81.209 -3.259 5.825 1.00 0.00 H new ATOM 0 HD1 PHE C 20 83.034 -1.156 4.894 1.00 0.00 H new ATOM 0 HD2 PHE C 20 83.882 -4.678 7.202 1.00 0.00 H new ATOM 0 HE1 PHE C 20 85.369 -1.143 4.056 1.00 0.00 H new ATOM 0 HE2 PHE C 20 86.217 -4.665 6.364 1.00 0.00 H new ATOM 0 HZ PHE C 20 86.959 -2.897 4.791 1.00 0.00 H new ATOM 325 N LYS C 21 79.073 -1.502 7.097 1.00 0.00 N ATOM 326 CA LYS C 21 77.743 -1.185 6.580 1.00 0.00 C ATOM 327 C LYS C 21 77.491 0.316 6.663 1.00 0.00 C ATOM 328 O LYS C 21 76.789 0.890 5.831 1.00 0.00 O ATOM 329 CB LYS C 21 76.665 -1.921 7.380 1.00 0.00 C ATOM 330 CG LYS C 21 76.981 -3.417 7.403 1.00 0.00 C ATOM 331 CD LYS C 21 75.785 -4.201 6.857 1.00 0.00 C ATOM 332 CE LYS C 21 75.394 -5.299 7.848 1.00 0.00 C ATOM 333 NZ LYS C 21 73.909 -5.434 7.879 1.00 0.00 N ATOM 0 H LYS C 21 79.078 -2.013 7.980 1.00 0.00 H new ATOM 0 HA LYS C 21 77.698 -1.506 5.539 1.00 0.00 H new ATOM 0 HB2 LYS C 21 76.622 -1.532 8.397 1.00 0.00 H new ATOM 0 HB3 LYS C 21 75.686 -1.752 6.932 1.00 0.00 H new ATOM 0 HG2 LYS C 21 77.868 -3.621 6.803 1.00 0.00 H new ATOM 0 HG3 LYS C 21 77.205 -3.737 8.421 1.00 0.00 H new ATOM 0 HD2 LYS C 21 74.942 -3.530 6.692 1.00 0.00 H new ATOM 0 HD3 LYS C 21 76.036 -4.641 5.892 1.00 0.00 H new ATOM 0 HE2 LYS C 21 75.850 -6.245 7.557 1.00 0.00 H new ATOM 0 HE3 LYS C 21 75.769 -5.057 8.842 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 73.642 -6.180 8.552 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 73.485 -4.532 8.176 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 73.563 -5.684 6.931 1.00 0.00 H new ATOM 347 N ALA C 22 78.081 0.945 7.675 1.00 0.00 N ATOM 348 CA ALA C 22 77.923 2.385 7.860 1.00 0.00 C ATOM 349 C ALA C 22 78.495 3.133 6.661 1.00 0.00 C ATOM 350 O ALA C 22 77.860 4.032 6.113 1.00 0.00 O ATOM 351 CB ALA C 22 78.642 2.847 9.130 1.00 0.00 C ATOM 0 H ALA C 22 78.667 0.487 8.373 1.00 0.00 H new ATOM 0 HA ALA C 22 76.859 2.601 7.953 1.00 0.00 H new ATOM 0 HB1 ALA C 22 78.513 3.923 9.250 1.00 0.00 H new ATOM 0 HB2 ALA C 22 78.222 2.332 9.994 1.00 0.00 H new ATOM 0 HB3 ALA C 22 79.704 2.616 9.051 1.00 0.00 H new ATOM 357 N ALA C 23 79.704 2.749 6.261 1.00 0.00 N ATOM 358 CA ALA C 23 80.358 3.389 5.122 1.00 0.00 C ATOM 359 C ALA C 23 79.555 3.153 3.847 1.00 0.00 C ATOM 360 O ALA C 23 79.288 4.081 3.084 1.00 0.00 O ATOM 361 CB ALA C 23 81.772 2.835 4.931 1.00 0.00 C ATOM 0 H ALA C 23 80.246 2.006 6.702 1.00 0.00 H new ATOM 0 HA ALA C 23 80.414 4.458 5.325 1.00 0.00 H new ATOM 0 HB1 ALA C 23 82.242 3.324 4.078 1.00 0.00 H new ATOM 0 HB2 ALA C 23 82.361 3.024 5.828 1.00 0.00 H new ATOM 0 HB3 ALA C 23 81.721 1.761 4.751 1.00 0.00 H new ATOM 367 N PHE C 24 79.171 1.899 3.625 1.00 0.00 N ATOM 368 CA PHE C 24 78.396 1.553 2.437 1.00 0.00 C ATOM 369 C PHE C 24 77.202 2.489 2.294 1.00 0.00 C ATOM 370 O PHE C 24 76.690 2.701 1.195 1.00 0.00 O ATOM 371 CB PHE C 24 77.897 0.109 2.520 1.00 0.00 C ATOM 372 CG PHE C 24 79.052 -0.800 2.871 1.00 0.00 C ATOM 373 CD1 PHE C 24 80.355 -0.445 2.503 1.00 0.00 C ATOM 374 CD2 PHE C 24 78.821 -1.994 3.564 1.00 0.00 C ATOM 375 CE1 PHE C 24 81.427 -1.283 2.828 1.00 0.00 C ATOM 376 CE2 PHE C 24 79.894 -2.833 3.889 1.00 0.00 C ATOM 377 CZ PHE C 24 81.198 -2.477 3.521 1.00 0.00 C ATOM 0 H PHE C 24 79.380 1.115 4.243 1.00 0.00 H new ATOM 0 HA PHE C 24 79.046 1.657 1.568 1.00 0.00 H new ATOM 0 HB2 PHE C 24 77.113 0.026 3.272 1.00 0.00 H new ATOM 0 HB3 PHE C 24 77.459 -0.192 1.568 1.00 0.00 H new ATOM 0 HD1 PHE C 24 80.533 0.476 1.968 1.00 0.00 H new ATOM 0 HD2 PHE C 24 77.816 -2.268 3.848 1.00 0.00 H new ATOM 0 HE1 PHE C 24 82.432 -1.008 2.544 1.00 0.00 H new ATOM 0 HE2 PHE C 24 79.716 -3.755 4.423 1.00 0.00 H new ATOM 0 HZ PHE C 24 82.026 -3.124 3.772 1.00 0.00 H new ATOM 387 N ASP C 25 76.769 3.053 3.418 1.00 0.00 N ATOM 388 CA ASP C 25 75.639 3.975 3.405 1.00 0.00 C ATOM 389 C ASP C 25 76.076 5.322 2.841 1.00 0.00 C ATOM 390 O ASP C 25 75.311 6.006 2.162 1.00 0.00 O ATOM 391 CB ASP C 25 75.084 4.171 4.817 1.00 0.00 C ATOM 392 CG ASP C 25 74.407 2.885 5.279 1.00 0.00 C ATOM 393 OD1 ASP C 25 74.298 1.974 4.475 1.00 0.00 O ATOM 394 OD2 ASP C 25 74.008 2.830 6.431 1.00 0.00 O ATOM 0 H ASP C 25 77.178 2.890 4.338 1.00 0.00 H new ATOM 0 HA ASP C 25 74.857 3.550 2.776 1.00 0.00 H new ATOM 0 HB2 ASP C 25 75.889 4.438 5.502 1.00 0.00 H new ATOM 0 HB3 ASP C 25 74.370 4.995 4.828 1.00 0.00 H new ATOM 399 N ILE C 26 77.324 5.689 3.123 1.00 0.00 N ATOM 400 CA ILE C 26 77.865 6.948 2.631 1.00 0.00 C ATOM 401 C ILE C 26 78.492 6.738 1.256 1.00 0.00 C ATOM 402 O ILE C 26 78.422 7.606 0.386 1.00 0.00 O ATOM 403 CB ILE C 26 78.920 7.490 3.597 1.00 0.00 C ATOM 404 CG1 ILE C 26 78.228 8.016 4.854 1.00 0.00 C ATOM 405 CG2 ILE C 26 79.691 8.630 2.932 1.00 0.00 C ATOM 406 CD1 ILE C 26 77.828 6.842 5.746 1.00 0.00 C ATOM 0 H ILE C 26 77.972 5.137 3.684 1.00 0.00 H new ATOM 0 HA ILE C 26 77.052 7.670 2.555 1.00 0.00 H new ATOM 0 HB ILE C 26 79.613 6.691 3.862 1.00 0.00 H new ATOM 0 HG12 ILE C 26 78.895 8.687 5.395 1.00 0.00 H new ATOM 0 HG13 ILE C 26 77.346 8.596 4.581 1.00 0.00 H new ATOM 0 HG21 ILE C 26 80.442 9.013 3.623 1.00 0.00 H new ATOM 0 HG22 ILE C 26 80.182 8.261 2.032 1.00 0.00 H new ATOM 0 HG23 ILE C 26 79.000 9.430 2.666 1.00 0.00 H new ATOM 0 HD11 ILE C 26 77.335 7.218 6.642 1.00 0.00 H new ATOM 0 HD12 ILE C 26 77.145 6.188 5.203 1.00 0.00 H new ATOM 0 HD13 ILE C 26 78.718 6.281 6.030 1.00 0.00 H new ATOM 418 N PHE C 27 79.093 5.564 1.066 1.00 0.00 N ATOM 419 CA PHE C 27 79.715 5.240 -0.214 1.00 0.00 C ATOM 420 C PHE C 27 78.703 5.431 -1.334 1.00 0.00 C ATOM 421 O PHE C 27 79.007 5.999 -2.383 1.00 0.00 O ATOM 422 CB PHE C 27 80.209 3.792 -0.217 1.00 0.00 C ATOM 423 CG PHE C 27 81.628 3.750 0.296 1.00 0.00 C ATOM 424 CD1 PHE C 27 82.662 4.310 -0.463 1.00 0.00 C ATOM 425 CD2 PHE C 27 81.910 3.152 1.530 1.00 0.00 C ATOM 426 CE1 PHE C 27 83.978 4.273 0.012 1.00 0.00 C ATOM 427 CE2 PHE C 27 83.226 3.115 2.005 1.00 0.00 C ATOM 428 CZ PHE C 27 84.260 3.675 1.246 1.00 0.00 C ATOM 0 H PHE C 27 79.162 4.831 1.772 1.00 0.00 H new ATOM 0 HA PHE C 27 80.566 5.903 -0.368 1.00 0.00 H new ATOM 0 HB2 PHE C 27 79.565 3.174 0.409 1.00 0.00 H new ATOM 0 HB3 PHE C 27 80.162 3.381 -1.226 1.00 0.00 H new ATOM 0 HD1 PHE C 27 82.444 4.771 -1.415 1.00 0.00 H new ATOM 0 HD2 PHE C 27 81.112 2.719 2.115 1.00 0.00 H new ATOM 0 HE1 PHE C 27 84.776 4.706 -0.573 1.00 0.00 H new ATOM 0 HE2 PHE C 27 83.444 2.654 2.957 1.00 0.00 H new ATOM 0 HZ PHE C 27 85.276 3.646 1.612 1.00 0.00 H new ATOM 438 N VAL C 28 77.486 4.963 -1.082 1.00 0.00 N ATOM 439 CA VAL C 28 76.406 5.093 -2.051 1.00 0.00 C ATOM 440 C VAL C 28 75.278 5.913 -1.440 1.00 0.00 C ATOM 441 O VAL C 28 74.097 5.615 -1.619 1.00 0.00 O ATOM 442 CB VAL C 28 75.871 3.718 -2.451 1.00 0.00 C ATOM 443 CG1 VAL C 28 76.894 3.015 -3.346 1.00 0.00 C ATOM 444 CG2 VAL C 28 75.633 2.880 -1.194 1.00 0.00 C ATOM 0 H VAL C 28 77.223 4.491 -0.217 1.00 0.00 H new ATOM 0 HA VAL C 28 76.792 5.591 -2.941 1.00 0.00 H new ATOM 0 HB VAL C 28 74.933 3.835 -2.993 1.00 0.00 H new ATOM 0 HG11 VAL C 28 76.514 2.034 -3.632 1.00 0.00 H new ATOM 0 HG12 VAL C 28 77.066 3.613 -4.241 1.00 0.00 H new ATOM 0 HG13 VAL C 28 77.832 2.896 -2.803 1.00 0.00 H new ATOM 0 HG21 VAL C 28 75.251 1.899 -1.477 1.00 0.00 H new ATOM 0 HG22 VAL C 28 76.572 2.762 -0.653 1.00 0.00 H new ATOM 0 HG23 VAL C 28 74.906 3.381 -0.555 1.00 0.00 H new ATOM 454 N LEU C 29 75.667 6.952 -0.703 1.00 0.00 N ATOM 455 CA LEU C 29 74.701 7.825 -0.044 1.00 0.00 C ATOM 456 C LEU C 29 73.863 8.585 -1.078 1.00 0.00 C ATOM 457 O LEU C 29 72.885 9.250 -0.737 1.00 0.00 O ATOM 458 CB LEU C 29 75.443 8.795 0.906 1.00 0.00 C ATOM 459 CG LEU C 29 75.394 10.243 0.395 1.00 0.00 C ATOM 460 CD1 LEU C 29 74.091 10.903 0.850 1.00 0.00 C ATOM 461 CD2 LEU C 29 76.582 11.021 0.967 1.00 0.00 C ATOM 0 H LEU C 29 76.642 7.208 -0.548 1.00 0.00 H new ATOM 0 HA LEU C 29 74.014 7.219 0.547 1.00 0.00 H new ATOM 0 HB2 LEU C 29 74.996 8.745 1.899 1.00 0.00 H new ATOM 0 HB3 LEU C 29 76.482 8.480 1.008 1.00 0.00 H new ATOM 0 HG LEU C 29 75.442 10.246 -0.694 1.00 0.00 H new ATOM 0 HD11 LEU C 29 74.057 11.930 0.487 1.00 0.00 H new ATOM 0 HD12 LEU C 29 73.243 10.348 0.449 1.00 0.00 H new ATOM 0 HD13 LEU C 29 74.043 10.901 1.939 1.00 0.00 H new ATOM 0 HD21 LEU C 29 76.551 12.049 0.607 1.00 0.00 H new ATOM 0 HD22 LEU C 29 76.530 11.016 2.056 1.00 0.00 H new ATOM 0 HD23 LEU C 29 77.512 10.552 0.646 1.00 0.00 H new ATOM 473 N GLY C 30 74.256 8.469 -2.342 1.00 0.00 N ATOM 474 CA GLY C 30 73.537 9.139 -3.422 1.00 0.00 C ATOM 475 C GLY C 30 73.586 8.302 -4.696 1.00 0.00 C ATOM 476 O GLY C 30 73.591 8.832 -5.807 1.00 0.00 O ATOM 0 H GLY C 30 75.062 7.922 -2.644 1.00 0.00 H new ATOM 0 HA2 GLY C 30 72.500 9.305 -3.129 1.00 0.00 H new ATOM 0 HA3 GLY C 30 73.977 10.119 -3.607 1.00 0.00 H new ATOM 480 N ALA C 31 73.626 6.983 -4.521 1.00 0.00 N ATOM 481 CA ALA C 31 73.679 6.071 -5.661 1.00 0.00 C ATOM 482 C ALA C 31 72.412 5.230 -5.738 1.00 0.00 C ATOM 483 O ALA C 31 71.775 4.937 -4.726 1.00 0.00 O ATOM 484 CB ALA C 31 74.887 5.141 -5.546 1.00 0.00 C ATOM 0 H ALA C 31 73.623 6.525 -3.610 1.00 0.00 H new ATOM 0 HA ALA C 31 73.767 6.673 -6.565 1.00 0.00 H new ATOM 0 HB1 ALA C 31 74.911 4.468 -6.403 1.00 0.00 H new ATOM 0 HB2 ALA C 31 75.802 5.734 -5.524 1.00 0.00 H new ATOM 0 HB3 ALA C 31 74.811 4.557 -4.629 1.00 0.00 H new ATOM 490 N GLU C 32 72.059 4.846 -6.959 1.00 0.00 N ATOM 491 CA GLU C 32 70.868 4.036 -7.185 1.00 0.00 C ATOM 492 C GLU C 32 70.757 2.939 -6.131 1.00 0.00 C ATOM 493 O GLU C 32 69.944 3.025 -5.210 1.00 0.00 O ATOM 494 CB GLU C 32 70.929 3.395 -8.570 1.00 0.00 C ATOM 495 CG GLU C 32 69.795 3.943 -9.439 1.00 0.00 C ATOM 496 CD GLU C 32 68.455 3.453 -8.900 1.00 0.00 C ATOM 497 OE1 GLU C 32 68.230 3.593 -7.709 1.00 0.00 O ATOM 498 OE2 GLU C 32 67.674 2.944 -9.686 1.00 0.00 O ATOM 0 H GLU C 32 72.578 5.081 -7.805 1.00 0.00 H new ATOM 0 HA GLU C 32 69.995 4.685 -7.117 1.00 0.00 H new ATOM 0 HB2 GLU C 32 71.892 3.604 -9.036 1.00 0.00 H new ATOM 0 HB3 GLU C 32 70.844 2.312 -8.485 1.00 0.00 H new ATOM 0 HG2 GLU C 32 69.820 5.033 -9.443 1.00 0.00 H new ATOM 0 HG3 GLU C 32 69.924 3.617 -10.471 1.00 0.00 H new ATOM 505 N ASP C 33 71.585 1.907 -6.271 1.00 0.00 N ATOM 506 CA ASP C 33 71.569 0.800 -5.316 1.00 0.00 C ATOM 507 C ASP C 33 72.759 0.900 -4.367 1.00 0.00 C ATOM 508 O ASP C 33 72.621 1.333 -3.223 1.00 0.00 O ATOM 509 CB ASP C 33 71.613 -0.557 -6.032 1.00 0.00 C ATOM 510 CG ASP C 33 72.203 -0.398 -7.431 1.00 0.00 C ATOM 511 OD1 ASP C 33 71.439 -0.149 -8.349 1.00 0.00 O ATOM 512 OD2 ASP C 33 73.408 -0.529 -7.563 1.00 0.00 O ATOM 0 H ASP C 33 72.266 1.813 -7.024 1.00 0.00 H new ATOM 0 HA ASP C 33 70.639 0.870 -4.752 1.00 0.00 H new ATOM 0 HB2 ASP C 33 72.212 -1.261 -5.455 1.00 0.00 H new ATOM 0 HB3 ASP C 33 70.608 -0.974 -6.099 1.00 0.00 H new ATOM 517 N GLY C 34 73.930 0.497 -4.853 1.00 0.00 N ATOM 518 CA GLY C 34 75.139 0.547 -4.036 1.00 0.00 C ATOM 519 C GLY C 34 76.371 0.750 -4.908 1.00 0.00 C ATOM 520 O GLY C 34 77.438 0.197 -4.641 1.00 0.00 O ATOM 0 H GLY C 34 74.067 0.136 -5.797 1.00 0.00 H new ATOM 0 HA2 GLY C 34 75.062 1.359 -3.313 1.00 0.00 H new ATOM 0 HA3 GLY C 34 75.238 -0.378 -3.468 1.00 0.00 H new ATOM 524 N CYS C 35 76.210 1.552 -5.957 1.00 0.00 N ATOM 525 CA CYS C 35 77.313 1.827 -6.873 1.00 0.00 C ATOM 526 C CYS C 35 78.257 2.873 -6.286 1.00 0.00 C ATOM 527 O CYS C 35 77.836 3.963 -5.898 1.00 0.00 O ATOM 528 CB CYS C 35 76.779 2.339 -8.213 1.00 0.00 C ATOM 529 SG CYS C 35 75.252 1.462 -8.629 1.00 0.00 S ATOM 0 H CYS C 35 75.335 2.019 -6.193 1.00 0.00 H new ATOM 0 HA CYS C 35 77.858 0.895 -7.026 1.00 0.00 H new ATOM 0 HB2 CYS C 35 76.591 3.411 -8.156 1.00 0.00 H new ATOM 0 HB3 CYS C 35 77.523 2.187 -8.995 1.00 0.00 H new ATOM 0 HG CYS C 35 75.051 0.508 -7.769 1.00 0.00 H new ATOM 535 N ILE C 36 79.541 2.527 -6.230 1.00 0.00 N ATOM 536 CA ILE C 36 80.547 3.442 -5.695 1.00 0.00 C ATOM 537 C ILE C 36 81.394 4.017 -6.827 1.00 0.00 C ATOM 538 O ILE C 36 82.526 3.591 -7.055 1.00 0.00 O ATOM 539 CB ILE C 36 81.463 2.716 -4.707 1.00 0.00 C ATOM 540 CG1 ILE C 36 80.619 2.067 -3.607 1.00 0.00 C ATOM 541 CG2 ILE C 36 82.432 3.719 -4.078 1.00 0.00 C ATOM 542 CD1 ILE C 36 81.540 1.391 -2.589 1.00 0.00 C ATOM 0 H ILE C 36 79.907 1.629 -6.545 1.00 0.00 H new ATOM 0 HA ILE C 36 80.028 4.250 -5.179 1.00 0.00 H new ATOM 0 HB ILE C 36 82.026 1.946 -5.235 1.00 0.00 H new ATOM 0 HG12 ILE C 36 80.004 2.820 -3.114 1.00 0.00 H new ATOM 0 HG13 ILE C 36 79.939 1.334 -4.041 1.00 0.00 H new ATOM 0 HG21 ILE C 36 83.085 3.202 -3.374 1.00 0.00 H new ATOM 0 HG22 ILE C 36 83.035 4.182 -4.859 1.00 0.00 H new ATOM 0 HG23 ILE C 36 81.868 4.489 -3.552 1.00 0.00 H new ATOM 0 HD11 ILE C 36 80.939 0.929 -1.806 1.00 0.00 H new ATOM 0 HD12 ILE C 36 82.135 0.627 -3.088 1.00 0.00 H new ATOM 0 HD13 ILE C 36 82.202 2.135 -2.147 1.00 0.00 H new ATOM 554 N SER C 37 80.827 4.990 -7.536 1.00 0.00 N ATOM 555 CA SER C 37 81.530 5.623 -8.650 1.00 0.00 C ATOM 556 C SER C 37 82.726 6.423 -8.144 1.00 0.00 C ATOM 557 O SER C 37 83.003 6.464 -6.946 1.00 0.00 O ATOM 558 CB SER C 37 80.590 6.563 -9.406 1.00 0.00 C ATOM 559 OG SER C 37 79.244 6.234 -9.089 1.00 0.00 O ATOM 0 H SER C 37 79.891 5.355 -7.362 1.00 0.00 H new ATOM 0 HA SER C 37 81.877 4.836 -9.319 1.00 0.00 H new ATOM 0 HB2 SER C 37 80.797 7.598 -9.135 1.00 0.00 H new ATOM 0 HB3 SER C 37 80.755 6.475 -10.480 1.00 0.00 H new ATOM 0 HG SER C 37 78.738 7.056 -8.918 1.00 0.00 H new ATOM 565 N THR C 38 83.430 7.063 -9.075 1.00 0.00 N ATOM 566 CA THR C 38 84.596 7.868 -8.717 1.00 0.00 C ATOM 567 C THR C 38 84.154 9.168 -8.058 1.00 0.00 C ATOM 568 O THR C 38 84.653 9.548 -6.999 1.00 0.00 O ATOM 569 CB THR C 38 85.423 8.201 -9.962 1.00 0.00 C ATOM 570 OG1 THR C 38 84.736 9.171 -10.740 1.00 0.00 O ATOM 571 CG2 THR C 38 85.634 6.936 -10.795 1.00 0.00 C ATOM 0 H THR C 38 83.217 7.041 -10.072 1.00 0.00 H new ATOM 0 HA THR C 38 85.205 7.290 -8.022 1.00 0.00 H new ATOM 0 HB THR C 38 86.392 8.597 -9.657 1.00 0.00 H new ATOM 0 HG1 THR C 38 85.265 9.386 -11.536 1.00 0.00 H new ATOM 0 HG21 THR C 38 86.223 7.177 -11.680 1.00 0.00 H new ATOM 0 HG22 THR C 38 86.163 6.192 -10.199 1.00 0.00 H new ATOM 0 HG23 THR C 38 84.667 6.536 -11.100 1.00 0.00 H new ATOM 579 N LYS C 39 83.209 9.846 -8.702 1.00 0.00 N ATOM 580 CA LYS C 39 82.695 11.109 -8.180 1.00 0.00 C ATOM 581 C LYS C 39 81.917 10.878 -6.887 1.00 0.00 C ATOM 582 O LYS C 39 81.765 11.784 -6.067 1.00 0.00 O ATOM 583 CB LYS C 39 81.773 11.773 -9.205 1.00 0.00 C ATOM 584 CG LYS C 39 82.605 12.641 -10.151 1.00 0.00 C ATOM 585 CD LYS C 39 83.001 11.822 -11.382 1.00 0.00 C ATOM 586 CE LYS C 39 82.678 12.614 -12.650 1.00 0.00 C ATOM 587 NZ LYS C 39 83.615 13.767 -12.769 1.00 0.00 N ATOM 0 H LYS C 39 82.786 9.545 -9.580 1.00 0.00 H new ATOM 0 HA LYS C 39 83.545 11.760 -7.978 1.00 0.00 H new ATOM 0 HB2 LYS C 39 81.233 11.013 -9.771 1.00 0.00 H new ATOM 0 HB3 LYS C 39 81.026 12.383 -8.697 1.00 0.00 H new ATOM 0 HG2 LYS C 39 82.033 13.518 -10.454 1.00 0.00 H new ATOM 0 HG3 LYS C 39 83.497 13.003 -9.640 1.00 0.00 H new ATOM 0 HD2 LYS C 39 84.065 11.588 -11.349 1.00 0.00 H new ATOM 0 HD3 LYS C 39 82.465 10.873 -11.388 1.00 0.00 H new ATOM 0 HE2 LYS C 39 82.764 11.970 -13.525 1.00 0.00 H new ATOM 0 HE3 LYS C 39 81.648 12.970 -12.616 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 83.384 14.315 -13.622 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 83.524 14.376 -11.931 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 84.591 13.415 -12.837 1.00 0.00 H new ATOM 601 N GLU C 40 81.426 9.654 -6.717 1.00 0.00 N ATOM 602 CA GLU C 40 80.660 9.308 -5.521 1.00 0.00 C ATOM 603 C GLU C 40 81.594 8.889 -4.389 1.00 0.00 C ATOM 604 O GLU C 40 81.219 8.905 -3.217 1.00 0.00 O ATOM 605 CB GLU C 40 79.693 8.161 -5.818 1.00 0.00 C ATOM 606 CG GLU C 40 78.253 8.664 -5.706 1.00 0.00 C ATOM 607 CD GLU C 40 77.602 8.659 -7.086 1.00 0.00 C ATOM 608 OE1 GLU C 40 77.870 7.741 -7.843 1.00 0.00 O ATOM 609 OE2 GLU C 40 76.844 9.574 -7.364 1.00 0.00 O ATOM 0 H GLU C 40 81.542 8.891 -7.384 1.00 0.00 H new ATOM 0 HA GLU C 40 80.096 10.190 -5.218 1.00 0.00 H new ATOM 0 HB2 GLU C 40 79.875 7.768 -6.818 1.00 0.00 H new ATOM 0 HB3 GLU C 40 79.858 7.342 -5.118 1.00 0.00 H new ATOM 0 HG2 GLU C 40 77.687 8.030 -5.023 1.00 0.00 H new ATOM 0 HG3 GLU C 40 78.240 9.671 -5.290 1.00 0.00 H new ATOM 616 N LEU C 41 82.816 8.512 -4.755 1.00 0.00 N ATOM 617 CA LEU C 41 83.800 8.086 -3.764 1.00 0.00 C ATOM 618 C LEU C 41 84.357 9.291 -3.012 1.00 0.00 C ATOM 619 O LEU C 41 84.453 9.284 -1.785 1.00 0.00 O ATOM 620 CB LEU C 41 84.953 7.344 -4.443 1.00 0.00 C ATOM 621 CG LEU C 41 86.028 7.012 -3.407 1.00 0.00 C ATOM 622 CD1 LEU C 41 85.506 5.932 -2.457 1.00 0.00 C ATOM 623 CD2 LEU C 41 87.281 6.500 -4.122 1.00 0.00 C ATOM 0 H LEU C 41 83.146 8.493 -5.720 1.00 0.00 H new ATOM 0 HA LEU C 41 83.303 7.419 -3.060 1.00 0.00 H new ATOM 0 HB2 LEU C 41 84.586 6.429 -4.908 1.00 0.00 H new ATOM 0 HB3 LEU C 41 85.376 7.958 -5.238 1.00 0.00 H new ATOM 0 HG LEU C 41 86.273 7.908 -2.837 1.00 0.00 H new ATOM 0 HD11 LEU C 41 86.272 5.696 -1.719 1.00 0.00 H new ATOM 0 HD12 LEU C 41 84.613 6.295 -1.949 1.00 0.00 H new ATOM 0 HD13 LEU C 41 85.261 5.035 -3.026 1.00 0.00 H new ATOM 0 HD21 LEU C 41 88.049 6.263 -3.386 1.00 0.00 H new ATOM 0 HD22 LEU C 41 87.035 5.604 -4.691 1.00 0.00 H new ATOM 0 HD23 LEU C 41 87.653 7.269 -4.799 1.00 0.00 H new ATOM 635 N GLY C 42 84.721 10.326 -3.762 1.00 0.00 N ATOM 636 CA GLY C 42 85.267 11.537 -3.155 1.00 0.00 C ATOM 637 C GLY C 42 84.329 12.071 -2.078 1.00 0.00 C ATOM 638 O GLY C 42 84.739 12.816 -1.188 1.00 0.00 O ATOM 0 H GLY C 42 84.650 10.353 -4.779 1.00 0.00 H new ATOM 0 HA2 GLY C 42 86.243 11.323 -2.720 1.00 0.00 H new ATOM 0 HA3 GLY C 42 85.419 12.297 -3.921 1.00 0.00 H new ATOM 642 N LYS C 43 83.062 11.680 -2.171 1.00 0.00 N ATOM 643 CA LYS C 43 82.063 12.123 -1.203 1.00 0.00 C ATOM 644 C LYS C 43 82.314 11.481 0.159 1.00 0.00 C ATOM 645 O LYS C 43 82.024 12.068 1.201 1.00 0.00 O ATOM 646 CB LYS C 43 80.657 11.749 -1.678 1.00 0.00 C ATOM 647 CG LYS C 43 79.919 13.008 -2.136 1.00 0.00 C ATOM 648 CD LYS C 43 78.449 12.915 -1.721 1.00 0.00 C ATOM 649 CE LYS C 43 77.617 13.889 -2.557 1.00 0.00 C ATOM 650 NZ LYS C 43 76.224 13.373 -2.676 1.00 0.00 N ATOM 0 H LYS C 43 82.704 11.063 -2.900 1.00 0.00 H new ATOM 0 HA LYS C 43 82.141 13.206 -1.112 1.00 0.00 H new ATOM 0 HB2 LYS C 43 80.717 11.032 -2.497 1.00 0.00 H new ATOM 0 HB3 LYS C 43 80.106 11.265 -0.871 1.00 0.00 H new ATOM 0 HG2 LYS C 43 80.378 13.893 -1.694 1.00 0.00 H new ATOM 0 HG3 LYS C 43 79.997 13.115 -3.218 1.00 0.00 H new ATOM 0 HD2 LYS C 43 78.085 11.897 -1.861 1.00 0.00 H new ATOM 0 HD3 LYS C 43 78.344 13.148 -0.661 1.00 0.00 H new ATOM 0 HE2 LYS C 43 77.613 14.874 -2.091 1.00 0.00 H new ATOM 0 HE3 LYS C 43 78.059 14.006 -3.546 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 75.656 14.034 -3.244 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 76.237 12.442 -3.139 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 75.805 13.283 -1.728 1.00 0.00 H new ATOM 664 N VAL C 44 82.853 10.265 0.136 1.00 0.00 N ATOM 665 CA VAL C 44 83.138 9.543 1.374 1.00 0.00 C ATOM 666 C VAL C 44 84.518 9.914 1.909 1.00 0.00 C ATOM 667 O VAL C 44 84.681 10.211 3.093 1.00 0.00 O ATOM 668 CB VAL C 44 83.087 8.034 1.134 1.00 0.00 C ATOM 669 CG1 VAL C 44 83.438 7.295 2.427 1.00 0.00 C ATOM 670 CG2 VAL C 44 81.678 7.637 0.688 1.00 0.00 C ATOM 0 H VAL C 44 83.099 9.762 -0.717 1.00 0.00 H new ATOM 0 HA VAL C 44 82.381 9.823 2.106 1.00 0.00 H new ATOM 0 HB VAL C 44 83.805 7.767 0.359 1.00 0.00 H new ATOM 0 HG11 VAL C 44 83.401 6.220 2.253 1.00 0.00 H new ATOM 0 HG12 VAL C 44 84.442 7.577 2.746 1.00 0.00 H new ATOM 0 HG13 VAL C 44 82.722 7.562 3.204 1.00 0.00 H new ATOM 0 HG21 VAL C 44 81.640 6.561 0.516 1.00 0.00 H new ATOM 0 HG22 VAL C 44 80.961 7.906 1.464 1.00 0.00 H new ATOM 0 HG23 VAL C 44 81.427 8.160 -0.235 1.00 0.00 H new ATOM 680 N MET C 45 85.509 9.889 1.024 1.00 0.00 N ATOM 681 CA MET C 45 86.877 10.219 1.415 1.00 0.00 C ATOM 682 C MET C 45 86.944 11.619 2.021 1.00 0.00 C ATOM 683 O MET C 45 87.532 11.824 3.082 1.00 0.00 O ATOM 684 CB MET C 45 87.809 10.153 0.203 1.00 0.00 C ATOM 685 CG MET C 45 87.799 8.735 -0.373 1.00 0.00 C ATOM 686 SD MET C 45 89.429 7.981 -0.146 1.00 0.00 S ATOM 687 CE MET C 45 89.287 7.668 1.630 1.00 0.00 C ATOM 0 H MET C 45 85.394 9.646 0.040 1.00 0.00 H new ATOM 0 HA MET C 45 87.196 9.491 2.160 1.00 0.00 H new ATOM 0 HB2 MET C 45 87.488 10.867 -0.555 1.00 0.00 H new ATOM 0 HB3 MET C 45 88.822 10.431 0.494 1.00 0.00 H new ATOM 0 HG2 MET C 45 87.036 8.135 0.123 1.00 0.00 H new ATOM 0 HG3 MET C 45 87.544 8.763 -1.432 1.00 0.00 H new ATOM 0 HE1 MET C 45 90.087 6.998 1.947 1.00 0.00 H new ATOM 0 HE2 MET C 45 89.366 8.610 2.173 1.00 0.00 H new ATOM 0 HE3 MET C 45 88.322 7.207 1.842 1.00 0.00 H new ATOM 697 N ARG C 46 86.336 12.581 1.332 1.00 0.00 N ATOM 698 CA ARG C 46 86.335 13.963 1.809 1.00 0.00 C ATOM 699 C ARG C 46 85.879 14.031 3.265 1.00 0.00 C ATOM 700 O ARG C 46 86.165 14.996 3.975 1.00 0.00 O ATOM 701 CB ARG C 46 85.399 14.823 0.958 1.00 0.00 C ATOM 702 CG ARG C 46 83.954 14.377 1.184 1.00 0.00 C ATOM 703 CD ARG C 46 83.163 15.514 1.832 1.00 0.00 C ATOM 704 NE ARG C 46 81.742 15.397 1.515 1.00 0.00 N ATOM 705 CZ ARG C 46 80.917 16.427 1.678 1.00 0.00 C ATOM 706 NH1 ARG C 46 81.374 17.565 2.126 1.00 0.00 N ATOM 707 NH2 ARG C 46 79.652 16.302 1.387 1.00 0.00 N ATOM 0 H ARG C 46 85.843 12.433 0.452 1.00 0.00 H new ATOM 0 HA ARG C 46 87.354 14.342 1.730 1.00 0.00 H new ATOM 0 HB2 ARG C 46 85.512 15.874 1.222 1.00 0.00 H new ATOM 0 HB3 ARG C 46 85.659 14.730 -0.096 1.00 0.00 H new ATOM 0 HG2 ARG C 46 83.496 14.097 0.235 1.00 0.00 H new ATOM 0 HG3 ARG C 46 83.931 13.494 1.823 1.00 0.00 H new ATOM 0 HD2 ARG C 46 83.303 15.492 2.913 1.00 0.00 H new ATOM 0 HD3 ARG C 46 83.542 16.474 1.481 1.00 0.00 H new ATOM 0 HE ARG C 46 81.377 14.512 1.163 1.00 0.00 H new ATOM 0 HH11 ARG C 46 82.364 17.664 2.351 1.00 0.00 H new ATOM 0 HH12 ARG C 46 80.741 18.355 2.251 1.00 0.00 H new ATOM 0 HH21 ARG C 46 79.295 15.414 1.034 1.00 0.00 H new ATOM 0 HH22 ARG C 46 79.019 17.092 1.512 1.00 0.00 H new ATOM 721 N MET C 47 85.162 12.999 3.697 1.00 0.00 N ATOM 722 CA MET C 47 84.661 12.950 5.068 1.00 0.00 C ATOM 723 C MET C 47 85.689 12.312 5.997 1.00 0.00 C ATOM 724 O MET C 47 85.609 12.447 7.218 1.00 0.00 O ATOM 725 CB MET C 47 83.367 12.139 5.130 1.00 0.00 C ATOM 726 CG MET C 47 82.309 12.801 4.248 1.00 0.00 C ATOM 727 SD MET C 47 80.791 13.039 5.203 1.00 0.00 S ATOM 728 CE MET C 47 80.770 11.415 6.002 1.00 0.00 C ATOM 0 H MET C 47 84.916 12.191 3.125 1.00 0.00 H new ATOM 0 HA MET C 47 84.471 13.973 5.391 1.00 0.00 H new ATOM 0 HB2 MET C 47 83.549 11.118 4.795 1.00 0.00 H new ATOM 0 HB3 MET C 47 83.012 12.078 6.159 1.00 0.00 H new ATOM 0 HG2 MET C 47 82.674 13.760 3.881 1.00 0.00 H new ATOM 0 HG3 MET C 47 82.108 12.181 3.374 1.00 0.00 H new ATOM 0 HE1 MET C 47 79.741 11.134 6.228 1.00 0.00 H new ATOM 0 HE2 MET C 47 81.210 10.675 5.333 1.00 0.00 H new ATOM 0 HE3 MET C 47 81.346 11.457 6.926 1.00 0.00 H new ATOM 738 N LEU C 48 86.651 11.609 5.409 1.00 0.00 N ATOM 739 CA LEU C 48 87.685 10.947 6.200 1.00 0.00 C ATOM 740 C LEU C 48 88.853 11.892 6.460 1.00 0.00 C ATOM 741 O LEU C 48 89.670 11.661 7.352 1.00 0.00 O ATOM 742 CB LEU C 48 88.199 9.701 5.477 1.00 0.00 C ATOM 743 CG LEU C 48 87.323 8.503 5.848 1.00 0.00 C ATOM 744 CD1 LEU C 48 85.933 8.680 5.234 1.00 0.00 C ATOM 745 CD2 LEU C 48 87.957 7.219 5.308 1.00 0.00 C ATOM 0 H LEU C 48 86.738 11.483 4.401 1.00 0.00 H new ATOM 0 HA LEU C 48 87.241 10.656 7.152 1.00 0.00 H new ATOM 0 HB2 LEU C 48 88.181 9.859 4.399 1.00 0.00 H new ATOM 0 HB3 LEU C 48 89.235 9.508 5.754 1.00 0.00 H new ATOM 0 HG LEU C 48 87.238 8.438 6.933 1.00 0.00 H new ATOM 0 HD11 LEU C 48 85.308 7.827 5.497 1.00 0.00 H new ATOM 0 HD12 LEU C 48 85.480 9.594 5.617 1.00 0.00 H new ATOM 0 HD13 LEU C 48 86.020 8.745 4.149 1.00 0.00 H new ATOM 0 HD21 LEU C 48 87.333 6.366 5.573 1.00 0.00 H new ATOM 0 HD22 LEU C 48 88.042 7.284 4.223 1.00 0.00 H new ATOM 0 HD23 LEU C 48 88.948 7.092 5.743 1.00 0.00 H new ATOM 757 N GLY C 49 88.922 12.962 5.674 1.00 0.00 N ATOM 758 CA GLY C 49 89.994 13.941 5.830 1.00 0.00 C ATOM 759 C GLY C 49 90.763 14.124 4.524 1.00 0.00 C ATOM 760 O GLY C 49 91.751 14.857 4.468 1.00 0.00 O ATOM 0 H GLY C 49 88.257 13.173 4.930 1.00 0.00 H new ATOM 0 HA2 GLY C 49 89.575 14.896 6.146 1.00 0.00 H new ATOM 0 HA3 GLY C 49 90.676 13.616 6.615 1.00 0.00 H new ATOM 764 N GLN C 50 90.300 13.451 3.473 1.00 0.00 N ATOM 765 CA GLN C 50 90.952 13.549 2.170 1.00 0.00 C ATOM 766 C GLN C 50 89.911 13.730 1.070 1.00 0.00 C ATOM 767 O GLN C 50 88.929 12.991 0.997 1.00 0.00 O ATOM 768 CB GLN C 50 91.772 12.291 1.882 1.00 0.00 C ATOM 769 CG GLN C 50 93.263 12.628 1.949 1.00 0.00 C ATOM 770 CD GLN C 50 93.731 13.134 0.589 1.00 0.00 C ATOM 771 OE1 GLN C 50 93.315 14.203 0.141 1.00 0.00 O ATOM 772 NE2 GLN C 50 94.580 12.424 -0.102 1.00 0.00 N ATOM 0 H GLN C 50 89.485 12.838 3.497 1.00 0.00 H new ATOM 0 HA GLN C 50 91.616 14.413 2.189 1.00 0.00 H new ATOM 0 HB2 GLN C 50 91.531 11.513 2.607 1.00 0.00 H new ATOM 0 HB3 GLN C 50 91.521 11.898 0.897 1.00 0.00 H new ATOM 0 HG2 GLN C 50 93.442 13.386 2.712 1.00 0.00 H new ATOM 0 HG3 GLN C 50 93.834 11.745 2.237 1.00 0.00 H new ATOM 0 HE21 GLN C 50 94.925 11.539 0.269 1.00 0.00 H new ATOM 0 HE22 GLN C 50 94.899 12.754 -1.013 1.00 0.00 H new ATOM 781 N ASN C 51 90.136 14.724 0.217 1.00 0.00 N ATOM 782 CA ASN C 51 89.208 15.000 -0.875 1.00 0.00 C ATOM 783 C ASN C 51 89.885 14.794 -2.226 1.00 0.00 C ATOM 784 O ASN C 51 90.456 15.723 -2.799 1.00 0.00 O ATOM 785 CB ASN C 51 88.695 16.438 -0.792 1.00 0.00 C ATOM 786 CG ASN C 51 87.387 16.557 -1.566 1.00 0.00 C ATOM 787 OD1 ASN C 51 86.306 16.536 -0.977 1.00 0.00 O ATOM 788 ND2 ASN C 51 87.419 16.680 -2.865 1.00 0.00 N ATOM 0 H ASN C 51 90.943 15.346 0.259 1.00 0.00 H new ATOM 0 HA ASN C 51 88.372 14.307 -0.781 1.00 0.00 H new ATOM 0 HB2 ASN C 51 88.541 16.721 0.249 1.00 0.00 H new ATOM 0 HB3 ASN C 51 89.436 17.124 -1.202 1.00 0.00 H new ATOM 0 HD21 ASN C 51 86.549 16.759 -3.391 1.00 0.00 H new ATOM 0 HD22 ASN C 51 88.314 16.698 -3.354 1.00 0.00 H new ATOM 795 N PRO C 52 89.815 13.573 -2.747 1.00 0.00 N ATOM 796 CA PRO C 52 90.411 13.231 -4.050 1.00 0.00 C ATOM 797 C PRO C 52 89.528 13.661 -5.218 1.00 0.00 C ATOM 798 O PRO C 52 88.367 14.028 -5.034 1.00 0.00 O ATOM 799 CB PRO C 52 90.514 11.713 -3.969 1.00 0.00 C ATOM 800 CG PRO C 52 89.478 11.250 -2.952 1.00 0.00 C ATOM 801 CD PRO C 52 89.136 12.455 -2.067 1.00 0.00 C ATOM 0 HA PRO C 52 91.362 13.732 -4.229 1.00 0.00 H new ATOM 0 HB2 PRO C 52 90.327 11.261 -4.943 1.00 0.00 H new ATOM 0 HB3 PRO C 52 91.516 11.410 -3.664 1.00 0.00 H new ATOM 0 HG2 PRO C 52 88.586 10.877 -3.455 1.00 0.00 H new ATOM 0 HG3 PRO C 52 89.870 10.430 -2.350 1.00 0.00 H new ATOM 0 HD2 PRO C 52 88.060 12.616 -2.003 1.00 0.00 H new ATOM 0 HD3 PRO C 52 89.499 12.323 -1.048 1.00 0.00 H new ATOM 809 N THR C 53 90.090 13.616 -6.422 1.00 0.00 N ATOM 810 CA THR C 53 89.344 14.010 -7.613 1.00 0.00 C ATOM 811 C THR C 53 88.731 12.787 -8.285 1.00 0.00 C ATOM 812 O THR C 53 88.937 11.654 -7.850 1.00 0.00 O ATOM 813 CB THR C 53 90.266 14.719 -8.608 1.00 0.00 C ATOM 814 OG1 THR C 53 91.598 14.700 -8.107 1.00 0.00 O ATOM 815 CG2 THR C 53 89.801 16.165 -8.796 1.00 0.00 C ATOM 0 H THR C 53 91.048 13.314 -6.599 1.00 0.00 H new ATOM 0 HA THR C 53 88.550 14.690 -7.306 1.00 0.00 H new ATOM 0 HB THR C 53 90.234 14.207 -9.570 1.00 0.00 H new ATOM 0 HG1 THR C 53 92.193 15.151 -8.742 1.00 0.00 H new ATOM 0 HG21 THR C 53 90.458 16.669 -9.505 1.00 0.00 H new ATOM 0 HG22 THR C 53 88.780 16.172 -9.179 1.00 0.00 H new ATOM 0 HG23 THR C 53 89.833 16.685 -7.838 1.00 0.00 H new ATOM 823 N PRO C 54 87.975 13.011 -9.356 1.00 0.00 N ATOM 824 CA PRO C 54 87.325 11.923 -10.107 1.00 0.00 C ATOM 825 C PRO C 54 88.292 11.219 -11.053 1.00 0.00 C ATOM 826 O PRO C 54 88.070 10.078 -11.459 1.00 0.00 O ATOM 827 CB PRO C 54 86.244 12.666 -10.881 1.00 0.00 C ATOM 828 CG PRO C 54 86.696 14.117 -10.997 1.00 0.00 C ATOM 829 CD PRO C 54 87.723 14.364 -9.886 1.00 0.00 C ATOM 0 HA PRO C 54 86.945 11.129 -9.464 1.00 0.00 H new ATOM 0 HB2 PRO C 54 86.105 12.225 -11.868 1.00 0.00 H new ATOM 0 HB3 PRO C 54 85.286 12.601 -10.365 1.00 0.00 H new ATOM 0 HG2 PRO C 54 87.136 14.305 -11.976 1.00 0.00 H new ATOM 0 HG3 PRO C 54 85.848 14.793 -10.893 1.00 0.00 H new ATOM 0 HD2 PRO C 54 88.634 14.821 -10.273 1.00 0.00 H new ATOM 0 HD3 PRO C 54 87.333 15.032 -9.118 1.00 0.00 H new ATOM 837 N GLU C 55 89.372 11.916 -11.393 1.00 0.00 N ATOM 838 CA GLU C 55 90.380 11.355 -12.285 1.00 0.00 C ATOM 839 C GLU C 55 91.384 10.529 -11.488 1.00 0.00 C ATOM 840 O GLU C 55 91.989 9.591 -12.005 1.00 0.00 O ATOM 841 CB GLU C 55 91.123 12.470 -13.024 1.00 0.00 C ATOM 842 CG GLU C 55 90.116 13.504 -13.533 1.00 0.00 C ATOM 843 CD GLU C 55 90.863 14.681 -14.149 1.00 0.00 C ATOM 844 OE1 GLU C 55 92.078 14.710 -14.039 1.00 0.00 O ATOM 845 OE2 GLU C 55 90.210 15.538 -14.722 1.00 0.00 O ATOM 0 H GLU C 55 89.570 12.862 -11.067 1.00 0.00 H new ATOM 0 HA GLU C 55 89.875 10.718 -13.011 1.00 0.00 H new ATOM 0 HB2 GLU C 55 91.843 12.945 -12.358 1.00 0.00 H new ATOM 0 HB3 GLU C 55 91.687 12.054 -13.859 1.00 0.00 H new ATOM 0 HG2 GLU C 55 89.456 13.051 -14.273 1.00 0.00 H new ATOM 0 HG3 GLU C 55 89.486 13.848 -12.713 1.00 0.00 H new ATOM 852 N GLU C 56 91.553 10.891 -10.217 1.00 0.00 N ATOM 853 CA GLU C 56 92.486 10.178 -9.350 1.00 0.00 C ATOM 854 C GLU C 56 91.808 8.963 -8.724 1.00 0.00 C ATOM 855 O GLU C 56 92.395 7.886 -8.631 1.00 0.00 O ATOM 856 CB GLU C 56 92.991 11.097 -8.236 1.00 0.00 C ATOM 857 CG GLU C 56 93.518 12.395 -8.849 1.00 0.00 C ATOM 858 CD GLU C 56 95.003 12.246 -9.157 1.00 0.00 C ATOM 859 OE1 GLU C 56 95.628 11.382 -8.563 1.00 0.00 O ATOM 860 OE2 GLU C 56 95.495 12.997 -9.983 1.00 0.00 O ATOM 0 H GLU C 56 91.062 11.665 -9.770 1.00 0.00 H new ATOM 0 HA GLU C 56 93.329 9.851 -9.959 1.00 0.00 H new ATOM 0 HB2 GLU C 56 92.185 11.314 -7.535 1.00 0.00 H new ATOM 0 HB3 GLU C 56 93.781 10.602 -7.671 1.00 0.00 H new ATOM 0 HG2 GLU C 56 92.968 12.628 -9.761 1.00 0.00 H new ATOM 0 HG3 GLU C 56 93.360 13.225 -8.160 1.00 0.00 H new ATOM 867 N LEU C 57 90.562 9.151 -8.299 1.00 0.00 N ATOM 868 CA LEU C 57 89.804 8.065 -7.684 1.00 0.00 C ATOM 869 C LEU C 57 89.601 6.930 -8.683 1.00 0.00 C ATOM 870 O LEU C 57 89.722 5.753 -8.343 1.00 0.00 O ATOM 871 CB LEU C 57 88.439 8.567 -7.212 1.00 0.00 C ATOM 872 CG LEU C 57 88.625 9.484 -6.003 1.00 0.00 C ATOM 873 CD1 LEU C 57 87.307 10.194 -5.692 1.00 0.00 C ATOM 874 CD2 LEU C 57 89.052 8.650 -4.794 1.00 0.00 C ATOM 0 H LEU C 57 90.059 10.036 -8.368 1.00 0.00 H new ATOM 0 HA LEU C 57 90.370 7.699 -6.827 1.00 0.00 H new ATOM 0 HB2 LEU C 57 87.939 9.105 -8.017 1.00 0.00 H new ATOM 0 HB3 LEU C 57 87.801 7.724 -6.948 1.00 0.00 H new ATOM 0 HG LEU C 57 89.393 10.226 -6.224 1.00 0.00 H new ATOM 0 HD11 LEU C 57 87.440 10.848 -4.830 1.00 0.00 H new ATOM 0 HD12 LEU C 57 87.001 10.788 -6.554 1.00 0.00 H new ATOM 0 HD13 LEU C 57 86.538 9.454 -5.470 1.00 0.00 H new ATOM 0 HD21 LEU C 57 89.185 9.302 -3.931 1.00 0.00 H new ATOM 0 HD22 LEU C 57 88.284 7.909 -4.574 1.00 0.00 H new ATOM 0 HD23 LEU C 57 89.992 8.144 -5.015 1.00 0.00 H new ATOM 886 N GLN C 58 89.291 7.302 -9.922 1.00 0.00 N ATOM 887 CA GLN C 58 89.073 6.314 -10.974 1.00 0.00 C ATOM 888 C GLN C 58 90.067 5.168 -10.834 1.00 0.00 C ATOM 889 O GLN C 58 89.703 3.996 -10.929 1.00 0.00 O ATOM 890 CB GLN C 58 89.242 6.954 -12.355 1.00 0.00 C ATOM 891 CG GLN C 58 88.984 5.906 -13.439 1.00 0.00 C ATOM 892 CD GLN C 58 87.556 6.046 -13.954 1.00 0.00 C ATOM 893 OE1 GLN C 58 87.292 6.829 -14.867 1.00 0.00 O ATOM 894 NE2 GLN C 58 86.609 5.326 -13.418 1.00 0.00 N ATOM 0 H GLN C 58 89.186 8.272 -10.220 1.00 0.00 H new ATOM 0 HA GLN C 58 88.057 5.932 -10.875 1.00 0.00 H new ATOM 0 HB2 GLN C 58 88.549 7.788 -12.468 1.00 0.00 H new ATOM 0 HB3 GLN C 58 90.248 7.360 -12.459 1.00 0.00 H new ATOM 0 HG2 GLN C 58 89.691 6.034 -14.258 1.00 0.00 H new ATOM 0 HG3 GLN C 58 89.140 4.905 -13.036 1.00 0.00 H new ATOM 0 HE21 GLN C 58 86.828 4.677 -12.662 1.00 0.00 H new ATOM 0 HE22 GLN C 58 85.650 5.412 -13.755 1.00 0.00 H new ATOM 903 N GLU C 59 91.328 5.520 -10.602 1.00 0.00 N ATOM 904 CA GLU C 59 92.369 4.511 -10.443 1.00 0.00 C ATOM 905 C GLU C 59 91.988 3.538 -9.333 1.00 0.00 C ATOM 906 O GLU C 59 92.132 2.324 -9.473 1.00 0.00 O ATOM 907 CB GLU C 59 93.706 5.168 -10.098 1.00 0.00 C ATOM 908 CG GLU C 59 94.374 5.672 -11.379 1.00 0.00 C ATOM 909 CD GLU C 59 93.706 6.968 -11.826 1.00 0.00 C ATOM 910 OE1 GLU C 59 92.576 6.903 -12.280 1.00 0.00 O ATOM 911 OE2 GLU C 59 94.336 8.007 -11.708 1.00 0.00 O ATOM 0 H GLU C 59 91.651 6.484 -10.521 1.00 0.00 H new ATOM 0 HA GLU C 59 92.469 3.972 -11.385 1.00 0.00 H new ATOM 0 HB2 GLU C 59 93.548 5.997 -9.407 1.00 0.00 H new ATOM 0 HB3 GLU C 59 94.356 4.452 -9.594 1.00 0.00 H new ATOM 0 HG2 GLU C 59 95.437 5.840 -11.206 1.00 0.00 H new ATOM 0 HG3 GLU C 59 94.294 4.920 -12.164 1.00 0.00 H new ATOM 918 N MET C 60 91.490 4.089 -8.228 1.00 0.00 N ATOM 919 CA MET C 60 91.078 3.265 -7.097 1.00 0.00 C ATOM 920 C MET C 60 89.890 2.393 -7.492 1.00 0.00 C ATOM 921 O MET C 60 89.575 1.407 -6.826 1.00 0.00 O ATOM 922 CB MET C 60 90.682 4.143 -5.907 1.00 0.00 C ATOM 923 CG MET C 60 91.891 4.339 -4.988 1.00 0.00 C ATOM 924 SD MET C 60 91.868 6.017 -4.311 1.00 0.00 S ATOM 925 CE MET C 60 91.014 5.627 -2.763 1.00 0.00 C ATOM 0 H MET C 60 91.363 5.092 -8.093 1.00 0.00 H new ATOM 0 HA MET C 60 91.919 2.633 -6.811 1.00 0.00 H new ATOM 0 HB2 MET C 60 90.320 5.109 -6.259 1.00 0.00 H new ATOM 0 HB3 MET C 60 89.865 3.678 -5.355 1.00 0.00 H new ATOM 0 HG2 MET C 60 91.869 3.609 -4.179 1.00 0.00 H new ATOM 0 HG3 MET C 60 92.814 4.172 -5.543 1.00 0.00 H new ATOM 0 HE1 MET C 60 90.404 6.478 -2.460 1.00 0.00 H new ATOM 0 HE2 MET C 60 90.375 4.756 -2.909 1.00 0.00 H new ATOM 0 HE3 MET C 60 91.748 5.412 -1.987 1.00 0.00 H new ATOM 935 N ILE C 61 89.235 2.770 -8.588 1.00 0.00 N ATOM 936 CA ILE C 61 88.082 2.016 -9.071 1.00 0.00 C ATOM 937 C ILE C 61 88.538 0.801 -9.872 1.00 0.00 C ATOM 938 O ILE C 61 88.000 -0.296 -9.724 1.00 0.00 O ATOM 939 CB ILE C 61 87.195 2.893 -9.959 1.00 0.00 C ATOM 940 CG1 ILE C 61 86.762 4.145 -9.190 1.00 0.00 C ATOM 941 CG2 ILE C 61 85.956 2.101 -10.380 1.00 0.00 C ATOM 942 CD1 ILE C 61 86.333 3.762 -7.773 1.00 0.00 C ATOM 0 H ILE C 61 89.480 3.584 -9.152 1.00 0.00 H new ATOM 0 HA ILE C 61 87.511 1.688 -8.203 1.00 0.00 H new ATOM 0 HB ILE C 61 87.758 3.192 -10.843 1.00 0.00 H new ATOM 0 HG12 ILE C 61 87.584 4.860 -9.150 1.00 0.00 H new ATOM 0 HG13 ILE C 61 85.938 4.635 -9.709 1.00 0.00 H new ATOM 0 HG21 ILE C 61 85.323 2.724 -11.012 1.00 0.00 H new ATOM 0 HG22 ILE C 61 86.262 1.214 -10.935 1.00 0.00 H new ATOM 0 HG23 ILE C 61 85.398 1.800 -9.493 1.00 0.00 H new ATOM 0 HD11 ILE C 61 86.026 4.657 -7.231 1.00 0.00 H new ATOM 0 HD12 ILE C 61 85.498 3.063 -7.822 1.00 0.00 H new ATOM 0 HD13 ILE C 61 87.169 3.293 -7.254 1.00 0.00 H new ATOM 954 N ASP C 62 89.540 1.009 -10.723 1.00 0.00 N ATOM 955 CA ASP C 62 90.066 -0.079 -11.545 1.00 0.00 C ATOM 956 C ASP C 62 90.431 -1.273 -10.670 1.00 0.00 C ATOM 957 O ASP C 62 90.521 -2.406 -11.143 1.00 0.00 O ATOM 958 CB ASP C 62 91.307 0.379 -12.313 1.00 0.00 C ATOM 959 CG ASP C 62 90.951 0.575 -13.783 1.00 0.00 C ATOM 960 OD1 ASP C 62 90.971 -0.404 -14.512 1.00 0.00 O ATOM 961 OD2 ASP C 62 90.663 1.699 -14.158 1.00 0.00 O ATOM 0 H ASP C 62 90.000 1.909 -10.861 1.00 0.00 H new ATOM 0 HA ASP C 62 89.292 -0.371 -12.255 1.00 0.00 H new ATOM 0 HB2 ASP C 62 91.685 1.311 -11.892 1.00 0.00 H new ATOM 0 HB3 ASP C 62 92.102 -0.361 -12.216 1.00 0.00 H new ATOM 966 N GLU C 63 90.634 -1.003 -9.384 1.00 0.00 N ATOM 967 CA GLU C 63 90.984 -2.059 -8.438 1.00 0.00 C ATOM 968 C GLU C 63 89.832 -3.046 -8.302 1.00 0.00 C ATOM 969 O GLU C 63 90.037 -4.244 -8.105 1.00 0.00 O ATOM 970 CB GLU C 63 91.286 -1.469 -7.057 1.00 0.00 C ATOM 971 CG GLU C 63 92.088 -0.176 -7.211 1.00 0.00 C ATOM 972 CD GLU C 63 93.256 -0.410 -8.163 1.00 0.00 C ATOM 973 OE1 GLU C 63 94.282 -0.887 -7.704 1.00 0.00 O ATOM 974 OE2 GLU C 63 93.109 -0.109 -9.336 1.00 0.00 O ATOM 0 H GLU C 63 90.563 -0.071 -8.975 1.00 0.00 H new ATOM 0 HA GLU C 63 91.869 -2.569 -8.818 1.00 0.00 H new ATOM 0 HB2 GLU C 63 90.356 -1.270 -6.525 1.00 0.00 H new ATOM 0 HB3 GLU C 63 91.847 -2.187 -6.459 1.00 0.00 H new ATOM 0 HG2 GLU C 63 91.447 0.618 -7.594 1.00 0.00 H new ATOM 0 HG3 GLU C 63 92.457 0.153 -6.240 1.00 0.00 H new ATOM 981 N VAL C 64 88.614 -2.521 -8.398 1.00 0.00 N ATOM 982 CA VAL C 64 87.422 -3.352 -8.273 1.00 0.00 C ATOM 983 C VAL C 64 86.726 -3.512 -9.623 1.00 0.00 C ATOM 984 O VAL C 64 86.188 -4.574 -9.937 1.00 0.00 O ATOM 985 CB VAL C 64 86.448 -2.718 -7.280 1.00 0.00 C ATOM 986 CG1 VAL C 64 86.912 -3.013 -5.852 1.00 0.00 C ATOM 987 CG2 VAL C 64 86.417 -1.203 -7.501 1.00 0.00 C ATOM 0 H VAL C 64 88.427 -1.531 -8.561 1.00 0.00 H new ATOM 0 HA VAL C 64 87.730 -4.335 -7.916 1.00 0.00 H new ATOM 0 HB VAL C 64 85.451 -3.132 -7.431 1.00 0.00 H new ATOM 0 HG11 VAL C 64 86.218 -2.561 -5.143 1.00 0.00 H new ATOM 0 HG12 VAL C 64 86.941 -4.091 -5.694 1.00 0.00 H new ATOM 0 HG13 VAL C 64 87.908 -2.597 -5.700 1.00 0.00 H new ATOM 0 HG21 VAL C 64 85.723 -0.746 -6.795 1.00 0.00 H new ATOM 0 HG22 VAL C 64 87.415 -0.792 -7.347 1.00 0.00 H new ATOM 0 HG23 VAL C 64 86.091 -0.990 -8.519 1.00 0.00 H new ATOM 997 N ASP C 65 86.739 -2.445 -10.416 1.00 0.00 N ATOM 998 CA ASP C 65 86.101 -2.480 -11.730 1.00 0.00 C ATOM 999 C ASP C 65 86.826 -3.450 -12.657 1.00 0.00 C ATOM 1000 O ASP C 65 87.617 -3.042 -13.508 1.00 0.00 O ATOM 1001 CB ASP C 65 86.103 -1.090 -12.367 1.00 0.00 C ATOM 1002 CG ASP C 65 84.686 -0.527 -12.365 1.00 0.00 C ATOM 1003 OD1 ASP C 65 83.955 -0.822 -11.434 1.00 0.00 O ATOM 1004 OD2 ASP C 65 84.352 0.189 -13.295 1.00 0.00 O ATOM 0 H ASP C 65 87.178 -1.556 -10.177 1.00 0.00 H new ATOM 0 HA ASP C 65 85.073 -2.814 -11.589 1.00 0.00 H new ATOM 0 HB2 ASP C 65 86.770 -0.427 -11.816 1.00 0.00 H new ATOM 0 HB3 ASP C 65 86.482 -1.147 -13.388 1.00 0.00 H new ATOM 1009 N GLU C 66 86.545 -4.740 -12.489 1.00 0.00 N ATOM 1010 CA GLU C 66 87.174 -5.759 -13.324 1.00 0.00 C ATOM 1011 C GLU C 66 86.278 -6.098 -14.512 1.00 0.00 C ATOM 1012 O GLU C 66 86.714 -6.722 -15.479 1.00 0.00 O ATOM 1013 CB GLU C 66 87.440 -7.031 -12.517 1.00 0.00 C ATOM 1014 CG GLU C 66 88.900 -7.047 -12.062 1.00 0.00 C ATOM 1015 CD GLU C 66 89.442 -8.470 -12.130 1.00 0.00 C ATOM 1016 OE1 GLU C 66 88.954 -9.231 -12.950 1.00 0.00 O ATOM 1017 OE2 GLU C 66 90.339 -8.779 -11.362 1.00 0.00 O ATOM 0 H GLU C 66 85.894 -5.101 -11.791 1.00 0.00 H new ATOM 0 HA GLU C 66 88.122 -5.360 -13.685 1.00 0.00 H new ATOM 0 HB2 GLU C 66 86.778 -7.072 -11.652 1.00 0.00 H new ATOM 0 HB3 GLU C 66 87.227 -7.911 -13.124 1.00 0.00 H new ATOM 0 HG2 GLU C 66 89.496 -6.390 -12.695 1.00 0.00 H new ATOM 0 HG3 GLU C 66 88.978 -6.666 -11.044 1.00 0.00 H new ATOM 1024 N ASP C 67 85.019 -5.675 -14.428 1.00 0.00 N ATOM 1025 CA ASP C 67 84.065 -5.932 -15.503 1.00 0.00 C ATOM 1026 C ASP C 67 83.916 -4.696 -16.383 1.00 0.00 C ATOM 1027 O ASP C 67 83.509 -4.786 -17.541 1.00 0.00 O ATOM 1028 CB ASP C 67 82.695 -6.305 -14.930 1.00 0.00 C ATOM 1029 CG ASP C 67 82.270 -5.265 -13.898 1.00 0.00 C ATOM 1030 OD1 ASP C 67 83.120 -4.502 -13.468 1.00 0.00 O ATOM 1031 OD2 ASP C 67 81.100 -5.247 -13.552 1.00 0.00 O ATOM 0 H ASP C 67 84.639 -5.158 -13.635 1.00 0.00 H new ATOM 0 HA ASP C 67 84.444 -6.762 -16.099 1.00 0.00 H new ATOM 0 HB2 ASP C 67 81.958 -6.360 -15.731 1.00 0.00 H new ATOM 0 HB3 ASP C 67 82.739 -7.292 -14.469 1.00 0.00 H new ATOM 1036 N GLY C 68 84.251 -3.540 -15.818 1.00 0.00 N ATOM 1037 CA GLY C 68 84.151 -2.284 -16.557 1.00 0.00 C ATOM 1038 C GLY C 68 82.760 -1.679 -16.407 1.00 0.00 C ATOM 1039 O GLY C 68 82.342 -0.838 -17.202 1.00 0.00 O ATOM 0 H GLY C 68 84.591 -3.446 -14.861 1.00 0.00 H new ATOM 0 HA2 GLY C 68 84.900 -1.581 -16.192 1.00 0.00 H new ATOM 0 HA3 GLY C 68 84.365 -2.459 -17.611 1.00 0.00 H new ATOM 1043 N SER C 69 82.048 -2.120 -15.375 1.00 0.00 N ATOM 1044 CA SER C 69 80.699 -1.621 -15.120 1.00 0.00 C ATOM 1045 C SER C 69 80.700 -0.099 -15.022 1.00 0.00 C ATOM 1046 O SER C 69 79.728 0.562 -15.387 1.00 0.00 O ATOM 1047 CB SER C 69 80.154 -2.203 -13.816 1.00 0.00 C ATOM 1048 OG SER C 69 81.224 -2.378 -12.896 1.00 0.00 O ATOM 0 H SER C 69 82.378 -2.816 -14.706 1.00 0.00 H new ATOM 0 HA SER C 69 80.064 -1.929 -15.951 1.00 0.00 H new ATOM 0 HB2 SER C 69 79.401 -1.537 -13.394 1.00 0.00 H new ATOM 0 HB3 SER C 69 79.664 -3.158 -14.007 1.00 0.00 H new ATOM 0 HG SER C 69 81.196 -1.666 -12.223 1.00 0.00 H new ATOM 1054 N GLY C 70 81.803 0.450 -14.523 1.00 0.00 N ATOM 1055 CA GLY C 70 81.920 1.898 -14.376 1.00 0.00 C ATOM 1056 C GLY C 70 81.681 2.320 -12.929 1.00 0.00 C ATOM 1057 O GLY C 70 81.780 3.498 -12.587 1.00 0.00 O ATOM 0 H GLY C 70 82.620 -0.078 -14.217 1.00 0.00 H new ATOM 0 HA2 GLY C 70 82.911 2.221 -14.694 1.00 0.00 H new ATOM 0 HA3 GLY C 70 81.199 2.393 -15.027 1.00 0.00 H new ATOM 1061 N THR C 71 81.366 1.343 -12.082 1.00 0.00 N ATOM 1062 CA THR C 71 81.115 1.622 -10.671 1.00 0.00 C ATOM 1063 C THR C 71 81.448 0.397 -9.825 1.00 0.00 C ATOM 1064 O THR C 71 81.885 -0.633 -10.342 1.00 0.00 O ATOM 1065 CB THR C 71 79.649 2.003 -10.452 1.00 0.00 C ATOM 1066 OG1 THR C 71 78.834 1.291 -11.373 1.00 0.00 O ATOM 1067 CG2 THR C 71 79.476 3.507 -10.669 1.00 0.00 C ATOM 0 H THR C 71 81.279 0.361 -12.344 1.00 0.00 H new ATOM 0 HA THR C 71 81.750 2.455 -10.370 1.00 0.00 H new ATOM 0 HB THR C 71 79.353 1.748 -9.434 1.00 0.00 H new ATOM 0 HG1 THR C 71 77.895 1.532 -11.233 1.00 0.00 H new ATOM 0 HG21 THR C 71 78.432 3.779 -10.513 1.00 0.00 H new ATOM 0 HG22 THR C 71 80.102 4.051 -9.962 1.00 0.00 H new ATOM 0 HG23 THR C 71 79.770 3.764 -11.687 1.00 0.00 H new ATOM 1075 N VAL C 72 81.245 0.519 -8.517 1.00 0.00 N ATOM 1076 CA VAL C 72 81.537 -0.586 -7.608 1.00 0.00 C ATOM 1077 C VAL C 72 80.391 -0.793 -6.622 1.00 0.00 C ATOM 1078 O VAL C 72 80.033 0.109 -5.864 1.00 0.00 O ATOM 1079 CB VAL C 72 82.820 -0.304 -6.826 1.00 0.00 C ATOM 1080 CG1 VAL C 72 83.433 -1.623 -6.354 1.00 0.00 C ATOM 1081 CG2 VAL C 72 83.817 0.426 -7.730 1.00 0.00 C ATOM 0 H VAL C 72 80.884 1.360 -8.066 1.00 0.00 H new ATOM 0 HA VAL C 72 81.662 -1.488 -8.207 1.00 0.00 H new ATOM 0 HB VAL C 72 82.588 0.318 -5.961 1.00 0.00 H new ATOM 0 HG11 VAL C 72 84.348 -1.420 -5.797 1.00 0.00 H new ATOM 0 HG12 VAL C 72 82.724 -2.144 -5.711 1.00 0.00 H new ATOM 0 HG13 VAL C 72 83.665 -2.246 -7.218 1.00 0.00 H new ATOM 0 HG21 VAL C 72 84.732 0.628 -7.174 1.00 0.00 H new ATOM 0 HG22 VAL C 72 84.048 -0.196 -8.595 1.00 0.00 H new ATOM 0 HG23 VAL C 72 83.382 1.367 -8.066 1.00 0.00 H new ATOM 1091 N ASP C 73 79.824 -1.997 -6.637 1.00 0.00 N ATOM 1092 CA ASP C 73 78.721 -2.323 -5.736 1.00 0.00 C ATOM 1093 C ASP C 73 79.251 -2.561 -4.326 1.00 0.00 C ATOM 1094 O ASP C 73 80.412 -2.278 -4.028 1.00 0.00 O ATOM 1095 CB ASP C 73 77.989 -3.579 -6.212 1.00 0.00 C ATOM 1096 CG ASP C 73 78.963 -4.751 -6.252 1.00 0.00 C ATOM 1097 OD1 ASP C 73 80.115 -4.551 -5.903 1.00 0.00 O ATOM 1098 OD2 ASP C 73 78.543 -5.833 -6.629 1.00 0.00 O ATOM 0 H ASP C 73 80.106 -2.757 -7.257 1.00 0.00 H new ATOM 0 HA ASP C 73 78.026 -1.483 -5.732 1.00 0.00 H new ATOM 0 HB2 ASP C 73 77.159 -3.805 -5.542 1.00 0.00 H new ATOM 0 HB3 ASP C 73 77.564 -3.412 -7.202 1.00 0.00 H new ATOM 1103 N PHE C 74 78.389 -3.086 -3.461 1.00 0.00 N ATOM 1104 CA PHE C 74 78.785 -3.358 -2.082 1.00 0.00 C ATOM 1105 C PHE C 74 79.555 -4.679 -1.990 1.00 0.00 C ATOM 1106 O PHE C 74 80.004 -5.077 -0.915 1.00 0.00 O ATOM 1107 CB PHE C 74 77.548 -3.406 -1.168 1.00 0.00 C ATOM 1108 CG PHE C 74 76.953 -4.800 -1.144 1.00 0.00 C ATOM 1109 CD1 PHE C 74 76.702 -5.479 -2.343 1.00 0.00 C ATOM 1110 CD2 PHE C 74 76.657 -5.410 0.081 1.00 0.00 C ATOM 1111 CE1 PHE C 74 76.155 -6.769 -2.315 1.00 0.00 C ATOM 1112 CE2 PHE C 74 76.110 -6.699 0.108 1.00 0.00 C ATOM 1113 CZ PHE C 74 75.860 -7.378 -1.090 1.00 0.00 C ATOM 0 H PHE C 74 77.424 -3.329 -3.685 1.00 0.00 H new ATOM 0 HA PHE C 74 79.438 -2.551 -1.751 1.00 0.00 H new ATOM 0 HB2 PHE C 74 77.825 -3.106 -0.157 1.00 0.00 H new ATOM 0 HB3 PHE C 74 76.802 -2.693 -1.519 1.00 0.00 H new ATOM 0 HD1 PHE C 74 76.930 -5.009 -3.288 1.00 0.00 H new ATOM 0 HD2 PHE C 74 76.851 -4.886 1.005 1.00 0.00 H new ATOM 0 HE1 PHE C 74 75.961 -7.293 -3.239 1.00 0.00 H new ATOM 0 HE2 PHE C 74 75.881 -7.169 1.053 1.00 0.00 H new ATOM 0 HZ PHE C 74 75.439 -8.372 -1.069 1.00 0.00 H new ATOM 1123 N ASP C 75 79.697 -5.354 -3.129 1.00 0.00 N ATOM 1124 CA ASP C 75 80.407 -6.631 -3.164 1.00 0.00 C ATOM 1125 C ASP C 75 81.902 -6.416 -3.394 1.00 0.00 C ATOM 1126 O ASP C 75 82.684 -6.328 -2.448 1.00 0.00 O ATOM 1127 CB ASP C 75 79.853 -7.521 -4.280 1.00 0.00 C ATOM 1128 CG ASP C 75 79.064 -8.674 -3.669 1.00 0.00 C ATOM 1129 OD1 ASP C 75 79.679 -9.670 -3.328 1.00 0.00 O ATOM 1130 OD2 ASP C 75 77.856 -8.544 -3.553 1.00 0.00 O ATOM 0 H ASP C 75 79.335 -5.043 -4.030 1.00 0.00 H new ATOM 0 HA ASP C 75 80.260 -7.119 -2.201 1.00 0.00 H new ATOM 0 HB2 ASP C 75 79.211 -6.937 -4.940 1.00 0.00 H new ATOM 0 HB3 ASP C 75 80.669 -7.908 -4.890 1.00 0.00 H new ATOM 1135 N GLU C 76 82.290 -6.342 -4.665 1.00 0.00 N ATOM 1136 CA GLU C 76 83.697 -6.149 -5.014 1.00 0.00 C ATOM 1137 C GLU C 76 84.338 -5.104 -4.106 1.00 0.00 C ATOM 1138 O GLU C 76 85.545 -5.131 -3.864 1.00 0.00 O ATOM 1139 CB GLU C 76 83.842 -5.703 -6.473 1.00 0.00 C ATOM 1140 CG GLU C 76 82.643 -4.840 -6.875 1.00 0.00 C ATOM 1141 CD GLU C 76 82.877 -4.255 -8.263 1.00 0.00 C ATOM 1142 OE1 GLU C 76 84.028 -4.082 -8.626 1.00 0.00 O ATOM 1143 OE2 GLU C 76 81.900 -3.990 -8.943 1.00 0.00 O ATOM 0 H GLU C 76 81.659 -6.412 -5.463 1.00 0.00 H new ATOM 0 HA GLU C 76 84.204 -7.105 -4.880 1.00 0.00 H new ATOM 0 HB2 GLU C 76 84.766 -5.139 -6.600 1.00 0.00 H new ATOM 0 HB3 GLU C 76 83.909 -6.575 -7.124 1.00 0.00 H new ATOM 0 HG2 GLU C 76 81.733 -5.440 -6.871 1.00 0.00 H new ATOM 0 HG3 GLU C 76 82.500 -4.038 -6.151 1.00 0.00 H new ATOM 1150 N PHE C 77 83.519 -4.187 -3.601 1.00 0.00 N ATOM 1151 CA PHE C 77 84.025 -3.143 -2.714 1.00 0.00 C ATOM 1152 C PHE C 77 84.586 -3.764 -1.439 1.00 0.00 C ATOM 1153 O PHE C 77 85.800 -3.808 -1.238 1.00 0.00 O ATOM 1154 CB PHE C 77 82.913 -2.155 -2.348 1.00 0.00 C ATOM 1155 CG PHE C 77 83.396 -1.218 -1.262 1.00 0.00 C ATOM 1156 CD1 PHE C 77 84.768 -1.012 -1.065 1.00 0.00 C ATOM 1157 CD2 PHE C 77 82.469 -0.557 -0.448 1.00 0.00 C ATOM 1158 CE1 PHE C 77 85.211 -0.149 -0.058 1.00 0.00 C ATOM 1159 CE2 PHE C 77 82.912 0.308 0.559 1.00 0.00 C ATOM 1160 CZ PHE C 77 84.283 0.512 0.755 1.00 0.00 C ATOM 0 H PHE C 77 82.517 -4.144 -3.786 1.00 0.00 H new ATOM 0 HA PHE C 77 84.816 -2.607 -3.239 1.00 0.00 H new ATOM 0 HB2 PHE C 77 82.617 -1.584 -3.228 1.00 0.00 H new ATOM 0 HB3 PHE C 77 82.030 -2.697 -2.008 1.00 0.00 H new ATOM 0 HD1 PHE C 77 85.485 -1.521 -1.692 1.00 0.00 H new ATOM 0 HD2 PHE C 77 81.411 -0.715 -0.597 1.00 0.00 H new ATOM 0 HE1 PHE C 77 86.269 0.008 0.092 1.00 0.00 H new ATOM 0 HE2 PHE C 77 82.196 0.819 1.185 1.00 0.00 H new ATOM 0 HZ PHE C 77 84.624 1.179 1.533 1.00 0.00 H new ATOM 1170 N LEU C 78 83.689 -4.242 -0.579 1.00 0.00 N ATOM 1171 CA LEU C 78 84.107 -4.860 0.678 1.00 0.00 C ATOM 1172 C LEU C 78 85.383 -5.667 0.472 1.00 0.00 C ATOM 1173 O LEU C 78 86.390 -5.447 1.145 1.00 0.00 O ATOM 1174 CB LEU C 78 83.012 -5.786 1.213 1.00 0.00 C ATOM 1175 CG LEU C 78 82.138 -5.021 2.208 1.00 0.00 C ATOM 1176 CD1 LEU C 78 80.662 -5.279 1.896 1.00 0.00 C ATOM 1177 CD2 LEU C 78 82.448 -5.496 3.629 1.00 0.00 C ATOM 0 H LEU C 78 82.680 -4.214 -0.726 1.00 0.00 H new ATOM 0 HA LEU C 78 84.290 -4.064 1.400 1.00 0.00 H new ATOM 0 HB2 LEU C 78 82.403 -6.160 0.390 1.00 0.00 H new ATOM 0 HB3 LEU C 78 83.459 -6.654 1.698 1.00 0.00 H new ATOM 0 HG LEU C 78 82.345 -3.954 2.127 1.00 0.00 H new ATOM 0 HD11 LEU C 78 80.039 -4.734 2.605 1.00 0.00 H new ATOM 0 HD12 LEU C 78 80.440 -4.941 0.884 1.00 0.00 H new ATOM 0 HD13 LEU C 78 80.454 -6.346 1.976 1.00 0.00 H new ATOM 0 HD21 LEU C 78 81.825 -4.951 4.339 1.00 0.00 H new ATOM 0 HD22 LEU C 78 82.241 -6.563 3.709 1.00 0.00 H new ATOM 0 HD23 LEU C 78 83.499 -5.313 3.853 1.00 0.00 H new ATOM 1189 N VAL C 79 85.331 -6.599 -0.473 1.00 0.00 N ATOM 1190 CA VAL C 79 86.491 -7.432 -0.768 1.00 0.00 C ATOM 1191 C VAL C 79 87.739 -6.564 -0.899 1.00 0.00 C ATOM 1192 O VAL C 79 88.719 -6.745 -0.177 1.00 0.00 O ATOM 1193 CB VAL C 79 86.280 -8.199 -2.074 1.00 0.00 C ATOM 1194 CG1 VAL C 79 87.494 -9.089 -2.346 1.00 0.00 C ATOM 1195 CG2 VAL C 79 85.027 -9.069 -1.958 1.00 0.00 C ATOM 0 H VAL C 79 84.508 -6.796 -1.042 1.00 0.00 H new ATOM 0 HA VAL C 79 86.619 -8.140 0.050 1.00 0.00 H new ATOM 0 HB VAL C 79 86.157 -7.491 -2.894 1.00 0.00 H new ATOM 0 HG11 VAL C 79 87.343 -9.636 -3.277 1.00 0.00 H new ATOM 0 HG12 VAL C 79 88.387 -8.470 -2.429 1.00 0.00 H new ATOM 0 HG13 VAL C 79 87.618 -9.796 -1.526 1.00 0.00 H new ATOM 0 HG21 VAL C 79 84.876 -9.616 -2.889 1.00 0.00 H new ATOM 0 HG22 VAL C 79 85.150 -9.776 -1.138 1.00 0.00 H new ATOM 0 HG23 VAL C 79 84.161 -8.436 -1.765 1.00 0.00 H new ATOM 1205 N MET C 80 87.686 -5.614 -1.829 1.00 0.00 N ATOM 1206 CA MET C 80 88.813 -4.714 -2.050 1.00 0.00 C ATOM 1207 C MET C 80 89.433 -4.310 -0.718 1.00 0.00 C ATOM 1208 O MET C 80 90.649 -4.156 -0.602 1.00 0.00 O ATOM 1209 CB MET C 80 88.356 -3.456 -2.791 1.00 0.00 C ATOM 1210 CG MET C 80 89.400 -3.072 -3.841 1.00 0.00 C ATOM 1211 SD MET C 80 90.794 -2.245 -3.035 1.00 0.00 S ATOM 1212 CE MET C 80 90.195 -0.548 -3.227 1.00 0.00 C ATOM 0 H MET C 80 86.883 -5.449 -2.436 1.00 0.00 H new ATOM 0 HA MET C 80 89.554 -5.239 -2.654 1.00 0.00 H new ATOM 0 HB2 MET C 80 87.393 -3.633 -3.269 1.00 0.00 H new ATOM 0 HB3 MET C 80 88.216 -2.637 -2.086 1.00 0.00 H new ATOM 0 HG2 MET C 80 89.746 -3.962 -4.367 1.00 0.00 H new ATOM 0 HG3 MET C 80 88.955 -2.414 -4.587 1.00 0.00 H new ATOM 0 HE1 MET C 80 90.915 0.144 -2.791 1.00 0.00 H new ATOM 0 HE2 MET C 80 90.072 -0.323 -4.286 1.00 0.00 H new ATOM 0 HE3 MET C 80 89.236 -0.441 -2.720 1.00 0.00 H new ATOM 1222 N MET C 81 88.579 -4.142 0.288 1.00 0.00 N ATOM 1223 CA MET C 81 89.047 -3.758 1.616 1.00 0.00 C ATOM 1224 C MET C 81 89.670 -4.957 2.323 1.00 0.00 C ATOM 1225 O MET C 81 90.890 -5.056 2.452 1.00 0.00 O ATOM 1226 CB MET C 81 87.888 -3.233 2.465 1.00 0.00 C ATOM 1227 CG MET C 81 87.286 -1.992 1.804 1.00 0.00 C ATOM 1228 SD MET C 81 88.459 -0.620 1.920 1.00 0.00 S ATOM 1229 CE MET C 81 89.343 -0.951 0.378 1.00 0.00 C ATOM 0 H MET C 81 87.569 -4.264 0.211 1.00 0.00 H new ATOM 0 HA MET C 81 89.793 -2.972 1.495 1.00 0.00 H new ATOM 0 HB2 MET C 81 87.126 -4.005 2.574 1.00 0.00 H new ATOM 0 HB3 MET C 81 88.240 -2.989 3.467 1.00 0.00 H new ATOM 0 HG2 MET C 81 87.054 -2.199 0.759 1.00 0.00 H new ATOM 0 HG3 MET C 81 86.348 -1.725 2.292 1.00 0.00 H new ATOM 0 HE1 MET C 81 89.455 -0.023 -0.183 1.00 0.00 H new ATOM 0 HE2 MET C 81 90.328 -1.360 0.604 1.00 0.00 H new ATOM 0 HE3 MET C 81 88.780 -1.670 -0.217 1.00 0.00 H new ATOM 1239 N VAL C 82 88.813 -5.866 2.780 1.00 0.00 N ATOM 1240 CA VAL C 82 89.282 -7.060 3.477 1.00 0.00 C ATOM 1241 C VAL C 82 90.481 -7.664 2.748 1.00 0.00 C ATOM 1242 O VAL C 82 91.407 -8.188 3.368 1.00 0.00 O ATOM 1243 CB VAL C 82 88.156 -8.100 3.572 1.00 0.00 C ATOM 1244 CG1 VAL C 82 88.064 -8.906 2.273 1.00 0.00 C ATOM 1245 CG2 VAL C 82 88.444 -9.049 4.737 1.00 0.00 C ATOM 0 H VAL C 82 87.800 -5.800 2.682 1.00 0.00 H new ATOM 0 HA VAL C 82 89.586 -6.773 4.484 1.00 0.00 H new ATOM 0 HB VAL C 82 87.210 -7.584 3.735 1.00 0.00 H new ATOM 0 HG11 VAL C 82 87.262 -9.639 2.356 1.00 0.00 H new ATOM 0 HG12 VAL C 82 87.856 -8.233 1.441 1.00 0.00 H new ATOM 0 HG13 VAL C 82 89.009 -9.421 2.096 1.00 0.00 H new ATOM 0 HG21 VAL C 82 87.647 -9.789 4.809 1.00 0.00 H new ATOM 0 HG22 VAL C 82 89.395 -9.554 4.568 1.00 0.00 H new ATOM 0 HG23 VAL C 82 88.495 -8.480 5.665 1.00 0.00 H new ATOM 1255 N ARG C 83 90.446 -7.583 1.421 1.00 0.00 N ATOM 1256 CA ARG C 83 91.526 -8.122 0.600 1.00 0.00 C ATOM 1257 C ARG C 83 92.832 -7.383 0.879 1.00 0.00 C ATOM 1258 O ARG C 83 93.869 -7.998 1.127 1.00 0.00 O ATOM 1259 CB ARG C 83 91.183 -7.983 -0.885 1.00 0.00 C ATOM 1260 CG ARG C 83 91.927 -9.054 -1.684 1.00 0.00 C ATOM 1261 CD ARG C 83 91.439 -9.043 -3.133 1.00 0.00 C ATOM 1262 NE ARG C 83 92.428 -9.658 -4.014 1.00 0.00 N ATOM 1263 CZ ARG C 83 92.269 -9.648 -5.334 1.00 0.00 C ATOM 1264 NH1 ARG C 83 91.221 -9.078 -5.861 1.00 0.00 N ATOM 1265 NH2 ARG C 83 93.164 -10.207 -6.103 1.00 0.00 N ATOM 0 H ARG C 83 89.687 -7.152 0.894 1.00 0.00 H new ATOM 0 HA ARG C 83 91.647 -9.176 0.851 1.00 0.00 H new ATOM 0 HB2 ARG C 83 90.108 -8.086 -1.032 1.00 0.00 H new ATOM 0 HB3 ARG C 83 91.460 -6.991 -1.241 1.00 0.00 H new ATOM 0 HG2 ARG C 83 93.000 -8.868 -1.650 1.00 0.00 H new ATOM 0 HG3 ARG C 83 91.759 -10.035 -1.240 1.00 0.00 H new ATOM 0 HD2 ARG C 83 90.494 -9.580 -3.208 1.00 0.00 H new ATOM 0 HD3 ARG C 83 91.249 -8.018 -3.451 1.00 0.00 H new ATOM 0 HE ARG C 83 93.253 -10.102 -3.611 1.00 0.00 H new ATOM 0 HH11 ARG C 83 90.523 -8.640 -5.260 1.00 0.00 H new ATOM 0 HH12 ARG C 83 91.100 -9.071 -6.874 1.00 0.00 H new ATOM 0 HH21 ARG C 83 93.985 -10.651 -5.691 1.00 0.00 H new ATOM 0 HH22 ARG C 83 93.042 -10.200 -7.116 1.00 0.00 H new ATOM 1279 N CYS C 84 92.769 -6.055 0.833 1.00 0.00 N ATOM 1280 CA CYS C 84 93.952 -5.235 1.079 1.00 0.00 C ATOM 1281 C CYS C 84 94.360 -5.308 2.547 1.00 0.00 C ATOM 1282 O CYS C 84 95.506 -5.030 2.901 1.00 0.00 O ATOM 1283 CB CYS C 84 93.680 -3.776 0.708 1.00 0.00 C ATOM 1284 SG CYS C 84 95.087 -2.752 1.205 1.00 0.00 S ATOM 0 H CYS C 84 91.920 -5.527 0.630 1.00 0.00 H new ATOM 0 HA CYS C 84 94.761 -5.622 0.460 1.00 0.00 H new ATOM 0 HB2 CYS C 84 93.514 -3.688 -0.366 1.00 0.00 H new ATOM 0 HB3 CYS C 84 92.772 -3.428 1.200 1.00 0.00 H new ATOM 0 HG CYS C 84 95.785 -3.380 2.104 1.00 0.00 H new ATOM 1290 N MET C 85 93.412 -5.688 3.398 1.00 0.00 N ATOM 1291 CA MET C 85 93.690 -5.796 4.827 1.00 0.00 C ATOM 1292 C MET C 85 94.297 -7.159 5.151 1.00 0.00 C ATOM 1293 O MET C 85 94.440 -7.531 6.315 1.00 0.00 O ATOM 1294 CB MET C 85 92.407 -5.611 5.640 1.00 0.00 C ATOM 1295 CG MET C 85 92.175 -4.120 5.893 1.00 0.00 C ATOM 1296 SD MET C 85 90.674 -3.902 6.881 1.00 0.00 S ATOM 1297 CE MET C 85 89.573 -3.442 5.520 1.00 0.00 C ATOM 0 H MET C 85 92.457 -5.924 3.129 1.00 0.00 H new ATOM 0 HA MET C 85 94.399 -5.012 5.091 1.00 0.00 H new ATOM 0 HB2 MET C 85 91.559 -6.036 5.103 1.00 0.00 H new ATOM 0 HB3 MET C 85 92.484 -6.144 6.588 1.00 0.00 H new ATOM 0 HG2 MET C 85 93.031 -3.691 6.413 1.00 0.00 H new ATOM 0 HG3 MET C 85 92.080 -3.590 4.945 1.00 0.00 H new ATOM 0 HE1 MET C 85 88.883 -2.668 5.856 1.00 0.00 H new ATOM 0 HE2 MET C 85 90.164 -3.064 4.686 1.00 0.00 H new ATOM 0 HE3 MET C 85 89.008 -4.317 5.198 1.00 0.00 H new ATOM 1307 N LYS C 86 94.659 -7.897 4.103 1.00 0.00 N ATOM 1308 CA LYS C 86 95.257 -9.218 4.278 1.00 0.00 C ATOM 1309 C LYS C 86 96.348 -9.441 3.237 1.00 0.00 C ATOM 1310 O LYS C 86 97.471 -9.823 3.563 1.00 0.00 O ATOM 1311 CB LYS C 86 94.198 -10.312 4.130 1.00 0.00 C ATOM 1312 CG LYS C 86 93.380 -10.413 5.420 1.00 0.00 C ATOM 1313 CD LYS C 86 93.254 -11.881 5.831 1.00 0.00 C ATOM 1314 CE LYS C 86 94.570 -12.355 6.449 1.00 0.00 C ATOM 1315 NZ LYS C 86 94.840 -13.760 6.031 1.00 0.00 N ATOM 0 H LYS C 86 94.550 -7.605 3.132 1.00 0.00 H new ATOM 0 HA LYS C 86 95.686 -9.266 5.279 1.00 0.00 H new ATOM 0 HB2 LYS C 86 93.543 -10.086 3.289 1.00 0.00 H new ATOM 0 HB3 LYS C 86 94.676 -11.268 3.915 1.00 0.00 H new ATOM 0 HG2 LYS C 86 93.861 -9.842 6.214 1.00 0.00 H new ATOM 0 HG3 LYS C 86 92.391 -9.980 5.271 1.00 0.00 H new ATOM 0 HD2 LYS C 86 92.441 -12.000 6.547 1.00 0.00 H new ATOM 0 HD3 LYS C 86 93.007 -12.492 4.963 1.00 0.00 H new ATOM 0 HE2 LYS C 86 95.387 -11.707 6.132 1.00 0.00 H new ATOM 0 HE3 LYS C 86 94.517 -12.292 7.536 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 95.735 -14.081 6.452 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 94.065 -14.374 6.355 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 94.908 -13.807 4.994 1.00 0.00 H new ATOM 1392 N ILE I 148 94.131 1.708 6.099 1.00 0.00 N ATOM 1393 CA ILE I 148 92.820 1.352 5.560 1.00 0.00 C ATOM 1394 C ILE I 148 92.143 0.304 6.441 1.00 0.00 C ATOM 1395 O ILE I 148 91.420 -0.565 5.952 1.00 0.00 O ATOM 1396 CB ILE I 148 92.961 0.794 4.142 1.00 0.00 C ATOM 1397 CG1 ILE I 148 91.572 0.514 3.564 1.00 0.00 C ATOM 1398 CG2 ILE I 148 93.766 -0.505 4.181 1.00 0.00 C ATOM 1399 CD1 ILE I 148 91.343 1.396 2.336 1.00 0.00 C ATOM 0 HA ILE I 148 92.209 2.255 5.539 1.00 0.00 H new ATOM 0 HB ILE I 148 93.477 1.522 3.516 1.00 0.00 H new ATOM 0 HG12 ILE I 148 91.485 -0.538 3.291 1.00 0.00 H new ATOM 0 HG13 ILE I 148 90.807 0.712 4.315 1.00 0.00 H new ATOM 0 HG21 ILE I 148 93.866 -0.902 3.171 1.00 0.00 H new ATOM 0 HG22 ILE I 148 94.756 -0.307 4.593 1.00 0.00 H new ATOM 0 HG23 ILE I 148 93.251 -1.233 4.807 1.00 0.00 H new ATOM 0 HD11 ILE I 148 90.354 1.197 1.924 1.00 0.00 H new ATOM 0 HD12 ILE I 148 91.412 2.445 2.624 1.00 0.00 H new ATOM 0 HD13 ILE I 148 92.100 1.176 1.584 1.00 0.00 H new ATOM 1411 N SER I 149 92.388 0.396 7.746 1.00 0.00 N ATOM 1412 CA SER I 149 91.799 -0.552 8.690 1.00 0.00 C ATOM 1413 C SER I 149 90.415 -0.085 9.132 1.00 0.00 C ATOM 1414 O SER I 149 89.850 -0.599 10.097 1.00 0.00 O ATOM 1415 CB SER I 149 92.689 -0.702 9.924 1.00 0.00 C ATOM 1416 OG SER I 149 93.038 -2.070 10.088 1.00 0.00 O ATOM 0 H SER I 149 92.983 1.108 8.171 1.00 0.00 H new ATOM 0 HA SER I 149 91.711 -1.513 8.184 1.00 0.00 H new ATOM 0 HB2 SER I 149 93.588 -0.096 9.814 1.00 0.00 H new ATOM 0 HB3 SER I 149 92.167 -0.339 10.809 1.00 0.00 H new ATOM 0 HG SER I 149 93.610 -2.169 10.877 1.00 0.00 H new ATOM 1422 N ALA I 150 89.874 0.894 8.412 1.00 0.00 N ATOM 1423 CA ALA I 150 88.551 1.421 8.738 1.00 0.00 C ATOM 1424 C ALA I 150 88.635 2.438 9.874 1.00 0.00 C ATOM 1425 O ALA I 150 87.645 3.081 10.221 1.00 0.00 O ATOM 1426 CB ALA I 150 87.613 0.286 9.154 1.00 0.00 C ATOM 0 H ALA I 150 90.324 1.334 7.609 1.00 0.00 H new ATOM 0 HA ALA I 150 88.160 1.912 7.847 1.00 0.00 H new ATOM 0 HB1 ALA I 150 86.631 0.695 9.394 1.00 0.00 H new ATOM 0 HB2 ALA I 150 87.519 -0.427 8.335 1.00 0.00 H new ATOM 0 HB3 ALA I 150 88.019 -0.219 10.030 1.00 0.00 H new ATOM 1432 N ASP I 151 89.827 2.575 10.450 1.00 0.00 N ATOM 1433 CA ASP I 151 90.025 3.519 11.547 1.00 0.00 C ATOM 1434 C ASP I 151 89.570 4.916 11.138 1.00 0.00 C ATOM 1435 O ASP I 151 89.025 5.669 11.945 1.00 0.00 O ATOM 1436 CB ASP I 151 91.500 3.571 11.949 1.00 0.00 C ATOM 1437 CG ASP I 151 91.827 2.378 12.841 1.00 0.00 C ATOM 1438 OD1 ASP I 151 91.520 1.266 12.444 1.00 0.00 O ATOM 1439 OD2 ASP I 151 92.378 2.594 13.907 1.00 0.00 O ATOM 0 H ASP I 151 90.660 2.052 10.180 1.00 0.00 H new ATOM 0 HA ASP I 151 89.431 3.179 12.395 1.00 0.00 H new ATOM 0 HB2 ASP I 151 92.131 3.558 11.060 1.00 0.00 H new ATOM 0 HB3 ASP I 151 91.712 4.501 12.476 1.00 0.00 H new ATOM 1444 N ALA I 152 89.800 5.255 9.872 1.00 0.00 N ATOM 1445 CA ALA I 152 89.410 6.566 9.362 1.00 0.00 C ATOM 1446 C ALA I 152 87.951 6.552 8.916 1.00 0.00 C ATOM 1447 O ALA I 152 87.196 7.486 9.187 1.00 0.00 O ATOM 1448 CB ALA I 152 90.290 6.964 8.175 1.00 0.00 C ATOM 0 H ALA I 152 90.250 4.647 9.187 1.00 0.00 H new ATOM 0 HA ALA I 152 89.538 7.290 10.166 1.00 0.00 H new ATOM 0 HB1 ALA I 152 89.985 7.944 7.808 1.00 0.00 H new ATOM 0 HB2 ALA I 152 91.332 7.004 8.492 1.00 0.00 H new ATOM 0 HB3 ALA I 152 90.181 6.228 7.378 1.00 0.00 H new ATOM 1454 N MET I 153 87.564 5.482 8.228 1.00 0.00 N ATOM 1455 CA MET I 153 86.191 5.355 7.748 1.00 0.00 C ATOM 1456 C MET I 153 85.206 5.711 8.857 1.00 0.00 C ATOM 1457 O MET I 153 84.344 6.574 8.689 1.00 0.00 O ATOM 1458 CB MET I 153 85.916 3.925 7.278 1.00 0.00 C ATOM 1459 CG MET I 153 86.696 3.648 5.992 1.00 0.00 C ATOM 1460 SD MET I 153 86.571 1.890 5.578 1.00 0.00 S ATOM 1461 CE MET I 153 84.988 1.974 4.705 1.00 0.00 C ATOM 0 H MET I 153 88.173 4.699 7.992 1.00 0.00 H new ATOM 0 HA MET I 153 86.063 6.042 6.911 1.00 0.00 H new ATOM 0 HB2 MET I 153 86.207 3.215 8.052 1.00 0.00 H new ATOM 0 HB3 MET I 153 84.849 3.787 7.105 1.00 0.00 H new ATOM 0 HG2 MET I 153 86.301 4.254 5.177 1.00 0.00 H new ATOM 0 HG3 MET I 153 87.741 3.929 6.120 1.00 0.00 H new ATOM 0 HE1 MET I 153 84.266 1.322 5.197 1.00 0.00 H new ATOM 0 HE2 MET I 153 84.619 2.999 4.719 1.00 0.00 H new ATOM 0 HE3 MET I 153 85.124 1.651 3.673 1.00 0.00 H new ATOM 1471 N MET I 154 85.343 5.032 9.991 1.00 0.00 N ATOM 1472 CA MET I 154 84.460 5.277 11.128 1.00 0.00 C ATOM 1473 C MET I 154 84.139 6.763 11.249 1.00 0.00 C ATOM 1474 O MET I 154 83.050 7.145 11.680 1.00 0.00 O ATOM 1475 CB MET I 154 85.112 4.799 12.425 1.00 0.00 C ATOM 1476 CG MET I 154 84.336 3.600 12.971 1.00 0.00 C ATOM 1477 SD MET I 154 85.180 2.071 12.498 1.00 0.00 S ATOM 1478 CE MET I 154 84.631 2.037 10.774 1.00 0.00 C ATOM 0 H MET I 154 86.050 4.314 10.148 1.00 0.00 H new ATOM 0 HA MET I 154 83.537 4.722 10.960 1.00 0.00 H new ATOM 0 HB2 MET I 154 86.150 4.522 12.242 1.00 0.00 H new ATOM 0 HB3 MET I 154 85.122 5.605 13.159 1.00 0.00 H new ATOM 0 HG2 MET I 154 84.260 3.666 14.056 1.00 0.00 H new ATOM 0 HG3 MET I 154 83.319 3.603 12.580 1.00 0.00 H new ATOM 0 HE1 MET I 154 84.592 1.005 10.425 1.00 0.00 H new ATOM 0 HE2 MET I 154 83.639 2.483 10.699 1.00 0.00 H new ATOM 0 HE3 MET I 154 85.330 2.602 10.158 1.00 0.00 H new ATOM 1488 N GLN I 155 85.100 7.597 10.866 1.00 0.00 N ATOM 1489 CA GLN I 155 84.913 9.044 10.938 1.00 0.00 C ATOM 1490 C GLN I 155 83.648 9.457 10.191 1.00 0.00 C ATOM 1491 O GLN I 155 82.790 10.155 10.731 1.00 0.00 O ATOM 1492 CB GLN I 155 86.112 9.770 10.326 1.00 0.00 C ATOM 1493 CG GLN I 155 86.059 11.252 10.703 1.00 0.00 C ATOM 1494 CD GLN I 155 87.090 11.536 11.790 1.00 0.00 C ATOM 1495 OE1 GLN I 155 88.174 12.046 11.508 1.00 0.00 O ATOM 1496 NE2 GLN I 155 86.813 11.234 13.029 1.00 0.00 N ATOM 0 H GLN I 155 86.007 7.302 10.506 1.00 0.00 H new ATOM 0 HA GLN I 155 84.820 9.318 11.989 1.00 0.00 H new ATOM 0 HB2 GLN I 155 87.041 9.326 10.684 1.00 0.00 H new ATOM 0 HB3 GLN I 155 86.103 9.659 9.242 1.00 0.00 H new ATOM 0 HG2 GLN I 155 86.259 11.869 9.827 1.00 0.00 H new ATOM 0 HG3 GLN I 155 85.061 11.513 11.056 1.00 0.00 H new ATOM 0 HE21 GLN I 155 85.914 10.811 13.262 1.00 0.00 H new ATOM 0 HE22 GLN I 155 87.495 11.421 13.764 1.00 0.00 H new ATOM 1505 N ALA I 156 83.545 9.018 8.940 1.00 0.00 N ATOM 1506 CA ALA I 156 82.383 9.345 8.117 1.00 0.00 C ATOM 1507 C ALA I 156 81.203 8.440 8.459 1.00 0.00 C ATOM 1508 O ALA I 156 80.102 8.610 7.935 1.00 0.00 O ATOM 1509 CB ALA I 156 82.719 9.179 6.635 1.00 0.00 C ATOM 0 H ALA I 156 84.245 8.440 8.476 1.00 0.00 H new ATOM 0 HA ALA I 156 82.112 10.381 8.321 1.00 0.00 H new ATOM 0 HB1 ALA I 156 81.844 9.426 6.034 1.00 0.00 H new ATOM 0 HB2 ALA I 156 83.540 9.845 6.371 1.00 0.00 H new ATOM 0 HB3 ALA I 156 83.013 8.147 6.442 1.00 0.00 H new ATOM 1515 N LEU I 157 81.445 7.472 9.337 1.00 0.00 N ATOM 1516 CA LEU I 157 80.393 6.542 9.734 1.00 0.00 C ATOM 1517 C LEU I 157 79.875 6.879 11.129 1.00 0.00 C ATOM 1518 O LEU I 157 79.168 6.086 11.752 1.00 0.00 O ATOM 1519 CB LEU I 157 80.928 5.108 9.731 1.00 0.00 C ATOM 1520 CG LEU I 157 81.023 4.587 8.293 1.00 0.00 C ATOM 1521 CD1 LEU I 157 81.601 5.671 7.376 1.00 0.00 C ATOM 1522 CD2 LEU I 157 81.936 3.359 8.262 1.00 0.00 C ATOM 0 H LEU I 157 82.348 7.312 9.783 1.00 0.00 H new ATOM 0 HA LEU I 157 79.576 6.630 9.018 1.00 0.00 H new ATOM 0 HB2 LEU I 157 81.910 5.076 10.204 1.00 0.00 H new ATOM 0 HB3 LEU I 157 80.271 4.465 10.317 1.00 0.00 H new ATOM 0 HG LEU I 157 80.026 4.319 7.943 1.00 0.00 H new ATOM 0 HD11 LEU I 157 81.664 5.290 6.357 1.00 0.00 H new ATOM 0 HD12 LEU I 157 80.954 6.548 7.396 1.00 0.00 H new ATOM 0 HD13 LEU I 157 82.597 5.947 7.722 1.00 0.00 H new ATOM 0 HD21 LEU I 157 82.007 2.984 7.241 1.00 0.00 H new ATOM 0 HD22 LEU I 157 82.929 3.635 8.617 1.00 0.00 H new ATOM 0 HD23 LEU I 157 81.523 2.582 8.906 1.00 0.00 H new