USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 693 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: I 7 MET CE :methyl -148:sc= -2.35! (180deg=-1.79) USER MOD Set 1.2: I 8 MET CE :methyl -170:sc= -7.27! (180deg=-7.34!) USER MOD Set 2.1: C 69 SER OG : rot 98:sc= 0.577 USER MOD Set 2.2: C 71 THR OG1 : rot -96:sc= 1.92 USER MOD Single : C 5 TYR OH : rot 180:sc= 0.693 USER MOD Single : C 6 LYS NZ :NH3+ -143:sc= -0.124 (180deg=-1.3!) USER MOD Single : C 11 GLN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : C 13 THR OG1 : rot 180:sc= 0.0546 USER MOD Single : C 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 ASN : amide:sc= -0.571 X(o=-0.57,f=-0.76) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 CYS SG : rot 180:sc= 0.0187 USER MOD Single : C 37 SER OG : rot 180:sc= -0.992 USER MOD Single : C 38 THR OG1 : rot -83:sc= -0.382! 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 155:sc= -7.74! (180deg=-8.57!) USER MOD Single : C 47 MET CE :methyl -148:sc= -0.13 (180deg=-0.902) USER MOD Single : C 50 GLN : amide:sc= -0.113 X(o=-0.11,f=0) USER MOD Single : C 51 ASN : amide:sc= -0.159 X(o=-0.16,f=0) USER MOD Single : C 53 THR OG1 : rot 180:sc= 0.121 USER MOD Single : C 58 GLN : amide:sc= -0.0519 K(o=-0.052,f=-0.8) USER MOD Single : C 60 MET CE :methyl -178:sc= 0 (180deg=-0.00617) USER MOD Single : C 80 MET CE :methyl 158:sc= -0.328 (180deg=-1.22) USER MOD Single : C 81 MET CE :methyl -126:sc= -0.134 (180deg=-2.64!) USER MOD Single : C 84 CYS SG : rot 170:sc= 0.0184 USER MOD Single : C 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : I 3 SER OG : rot -32:sc= 0.552 USER MOD Single : I 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE C 4 56.209 -12.223 14.339 1.00 0.00 N ATOM 45 CA ILE C 4 55.088 -11.266 14.114 1.00 0.00 C ATOM 46 C ILE C 4 55.315 -10.476 12.823 1.00 0.00 C ATOM 47 O ILE C 4 54.768 -9.408 12.633 1.00 0.00 O ATOM 48 CB ILE C 4 55.114 -10.336 15.327 1.00 0.00 C ATOM 49 CG1 ILE C 4 55.035 -11.168 16.609 1.00 0.00 C ATOM 50 CG2 ILE C 4 53.920 -9.383 15.262 1.00 0.00 C ATOM 51 CD1 ILE C 4 56.184 -10.783 17.541 1.00 0.00 C ATOM 0 HA ILE C 4 54.128 -11.771 14.008 1.00 0.00 H new ATOM 0 HB ILE C 4 56.039 -9.760 15.325 1.00 0.00 H new ATOM 0 HG12 ILE C 4 54.079 -11.000 17.105 1.00 0.00 H new ATOM 0 HG13 ILE C 4 55.088 -12.230 16.369 1.00 0.00 H new ATOM 0 HG21 ILE C 4 53.937 -8.719 16.126 1.00 0.00 H new ATOM 0 HG22 ILE C 4 53.976 -8.791 14.348 1.00 0.00 H new ATOM 0 HG23 ILE C 4 52.994 -9.959 15.265 1.00 0.00 H new ATOM 0 HD11 ILE C 4 56.127 -11.376 18.454 1.00 0.00 H new ATOM 0 HD12 ILE C 4 57.135 -10.973 17.044 1.00 0.00 H new ATOM 0 HD13 ILE C 4 56.111 -9.725 17.791 1.00 0.00 H new ATOM 63 N TYR C 5 56.116 -10.995 11.933 1.00 0.00 N ATOM 64 CA TYR C 5 56.375 -10.272 10.654 1.00 0.00 C ATOM 65 C TYR C 5 56.330 -11.251 9.478 1.00 0.00 C ATOM 66 O TYR C 5 55.631 -11.038 8.508 1.00 0.00 O ATOM 67 CB TYR C 5 57.777 -9.683 10.807 1.00 0.00 C ATOM 68 CG TYR C 5 57.710 -8.445 11.669 1.00 0.00 C ATOM 69 CD1 TYR C 5 56.802 -7.425 11.361 1.00 0.00 C ATOM 70 CD2 TYR C 5 58.557 -8.317 12.775 1.00 0.00 C ATOM 71 CE1 TYR C 5 56.741 -6.277 12.161 1.00 0.00 C ATOM 72 CE2 TYR C 5 58.497 -7.170 13.575 1.00 0.00 C ATOM 73 CZ TYR C 5 57.589 -6.149 13.267 1.00 0.00 C ATOM 74 OH TYR C 5 57.530 -5.018 14.055 1.00 0.00 O ATOM 0 H TYR C 5 56.602 -11.886 12.035 1.00 0.00 H new ATOM 0 HA TYR C 5 55.630 -9.501 10.457 1.00 0.00 H new ATOM 0 HB2 TYR C 5 58.445 -10.417 11.257 1.00 0.00 H new ATOM 0 HB3 TYR C 5 58.188 -9.436 9.828 1.00 0.00 H new ATOM 0 HD1 TYR C 5 56.149 -7.523 10.507 1.00 0.00 H new ATOM 0 HD2 TYR C 5 59.258 -9.104 13.012 1.00 0.00 H new ATOM 0 HE1 TYR C 5 56.040 -5.491 11.924 1.00 0.00 H new ATOM 0 HE2 TYR C 5 59.150 -7.072 14.429 1.00 0.00 H new ATOM 0 HH TYR C 5 58.185 -5.090 14.781 1.00 0.00 H new ATOM 84 N LYS C 6 57.071 -12.323 9.557 1.00 0.00 N ATOM 85 CA LYS C 6 57.068 -13.312 8.443 1.00 0.00 C ATOM 86 C LYS C 6 55.653 -13.852 8.221 1.00 0.00 C ATOM 87 O LYS C 6 55.351 -14.430 7.196 1.00 0.00 O ATOM 88 CB LYS C 6 58.007 -14.429 8.900 1.00 0.00 C ATOM 89 CG LYS C 6 59.439 -14.100 8.470 1.00 0.00 C ATOM 90 CD LYS C 6 60.170 -13.404 9.619 1.00 0.00 C ATOM 91 CE LYS C 6 60.445 -11.945 9.244 1.00 0.00 C ATOM 92 NZ LYS C 6 61.358 -12.016 8.068 1.00 0.00 N ATOM 0 H LYS C 6 57.677 -12.556 10.344 1.00 0.00 H new ATOM 0 HA LYS C 6 57.391 -12.873 7.499 1.00 0.00 H new ATOM 0 HB2 LYS C 6 57.958 -14.540 9.983 1.00 0.00 H new ATOM 0 HB3 LYS C 6 57.696 -15.380 8.468 1.00 0.00 H new ATOM 0 HG2 LYS C 6 59.965 -15.013 8.190 1.00 0.00 H new ATOM 0 HG3 LYS C 6 59.427 -13.457 7.590 1.00 0.00 H new ATOM 0 HD2 LYS C 6 59.568 -13.450 10.527 1.00 0.00 H new ATOM 0 HD3 LYS C 6 61.107 -13.918 9.832 1.00 0.00 H new ATOM 0 HE2 LYS C 6 59.522 -11.420 8.996 1.00 0.00 H new ATOM 0 HE3 LYS C 6 60.907 -11.405 10.071 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 62.054 -11.245 8.122 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 61.853 -12.931 8.068 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 60.805 -11.921 7.193 1.00 0.00 H new ATOM 106 N ALA C 7 54.780 -13.664 9.174 1.00 0.00 N ATOM 107 CA ALA C 7 53.385 -14.161 9.012 1.00 0.00 C ATOM 108 C ALA C 7 52.654 -13.324 7.960 1.00 0.00 C ATOM 109 O ALA C 7 52.096 -13.846 7.015 1.00 0.00 O ATOM 110 CB ALA C 7 52.739 -13.988 10.386 1.00 0.00 C ATOM 0 H ALA C 7 54.973 -13.189 10.056 1.00 0.00 H new ATOM 0 HA ALA C 7 53.347 -15.198 8.678 1.00 0.00 H new ATOM 0 HB1 ALA C 7 51.706 -14.333 10.348 1.00 0.00 H new ATOM 0 HB2 ALA C 7 53.290 -14.572 11.123 1.00 0.00 H new ATOM 0 HB3 ALA C 7 52.760 -12.935 10.668 1.00 0.00 H new ATOM 116 N ALA C 8 52.662 -12.027 8.112 1.00 0.00 N ATOM 117 CA ALA C 8 51.975 -11.157 7.114 1.00 0.00 C ATOM 118 C ALA C 8 52.633 -11.325 5.743 1.00 0.00 C ATOM 119 O ALA C 8 51.968 -11.436 4.731 1.00 0.00 O ATOM 120 CB ALA C 8 52.170 -9.732 7.630 1.00 0.00 C ATOM 0 H ALA C 8 53.113 -11.533 8.882 1.00 0.00 H new ATOM 0 HA ALA C 8 50.920 -11.405 6.999 1.00 0.00 H new ATOM 0 HB1 ALA C 8 51.691 -9.029 6.948 1.00 0.00 H new ATOM 0 HB2 ALA C 8 51.723 -9.639 8.620 1.00 0.00 H new ATOM 0 HB3 ALA C 8 53.235 -9.510 7.691 1.00 0.00 H new ATOM 126 N VAL C 9 53.938 -11.349 5.704 1.00 0.00 N ATOM 127 CA VAL C 9 54.643 -11.516 4.401 1.00 0.00 C ATOM 128 C VAL C 9 54.203 -12.819 3.732 1.00 0.00 C ATOM 129 O VAL C 9 53.629 -12.815 2.662 1.00 0.00 O ATOM 130 CB VAL C 9 56.128 -11.568 4.761 1.00 0.00 C ATOM 131 CG1 VAL C 9 56.965 -11.600 3.481 1.00 0.00 C ATOM 132 CG2 VAL C 9 56.497 -10.328 5.577 1.00 0.00 C ATOM 0 H VAL C 9 54.546 -11.260 6.518 1.00 0.00 H new ATOM 0 HA VAL C 9 54.424 -10.710 3.701 1.00 0.00 H new ATOM 0 HB VAL C 9 56.327 -12.465 5.348 1.00 0.00 H new ATOM 0 HG11 VAL C 9 58.023 -11.637 3.739 1.00 0.00 H new ATOM 0 HG12 VAL C 9 56.703 -12.482 2.897 1.00 0.00 H new ATOM 0 HG13 VAL C 9 56.766 -10.704 2.894 1.00 0.00 H new ATOM 0 HG21 VAL C 9 57.556 -10.364 5.834 1.00 0.00 H new ATOM 0 HG22 VAL C 9 56.297 -9.432 4.989 1.00 0.00 H new ATOM 0 HG23 VAL C 9 55.902 -10.303 6.490 1.00 0.00 H new ATOM 142 N GLU C 10 54.462 -13.936 4.357 1.00 0.00 N ATOM 143 CA GLU C 10 54.051 -15.237 3.754 1.00 0.00 C ATOM 144 C GLU C 10 52.561 -15.201 3.405 1.00 0.00 C ATOM 145 O GLU C 10 52.092 -15.938 2.562 1.00 0.00 O ATOM 146 CB GLU C 10 54.323 -16.283 4.836 1.00 0.00 C ATOM 147 CG GLU C 10 55.828 -16.550 4.922 1.00 0.00 C ATOM 148 CD GLU C 10 56.076 -18.058 4.990 1.00 0.00 C ATOM 149 OE1 GLU C 10 56.065 -18.592 6.087 1.00 0.00 O ATOM 150 OE2 GLU C 10 56.273 -18.654 3.944 1.00 0.00 O ATOM 0 H GLU C 10 54.939 -14.004 5.256 1.00 0.00 H new ATOM 0 HA GLU C 10 54.592 -15.457 2.834 1.00 0.00 H new ATOM 0 HB2 GLU C 10 53.950 -15.932 5.798 1.00 0.00 H new ATOM 0 HB3 GLU C 10 53.792 -17.206 4.606 1.00 0.00 H new ATOM 0 HG2 GLU C 10 56.333 -16.126 4.054 1.00 0.00 H new ATOM 0 HG3 GLU C 10 56.245 -16.062 5.803 1.00 0.00 H new ATOM 157 N GLN C 11 51.815 -14.344 4.049 1.00 0.00 N ATOM 158 CA GLN C 11 50.355 -14.256 3.754 1.00 0.00 C ATOM 159 C GLN C 11 50.095 -13.183 2.695 1.00 0.00 C ATOM 160 O GLN C 11 48.973 -12.769 2.480 1.00 0.00 O ATOM 161 CB GLN C 11 49.707 -13.865 5.084 1.00 0.00 C ATOM 162 CG GLN C 11 49.458 -15.121 5.921 1.00 0.00 C ATOM 163 CD GLN C 11 48.562 -14.773 7.112 1.00 0.00 C ATOM 164 OE1 GLN C 11 47.457 -14.299 6.938 1.00 0.00 O ATOM 165 NE2 GLN C 11 48.995 -14.993 8.324 1.00 0.00 N ATOM 0 H GLN C 11 52.153 -13.702 4.766 1.00 0.00 H new ATOM 0 HA GLN C 11 49.954 -15.191 3.364 1.00 0.00 H new ATOM 0 HB2 GLN C 11 50.354 -13.176 5.627 1.00 0.00 H new ATOM 0 HB3 GLN C 11 48.767 -13.344 4.903 1.00 0.00 H new ATOM 0 HG2 GLN C 11 48.986 -15.890 5.310 1.00 0.00 H new ATOM 0 HG3 GLN C 11 50.405 -15.530 6.272 1.00 0.00 H new ATOM 0 HE21 GLN C 11 49.923 -15.391 8.470 1.00 0.00 H new ATOM 0 HE22 GLN C 11 48.405 -14.767 9.125 1.00 0.00 H new ATOM 174 N LEU C 12 51.123 -12.729 2.032 1.00 0.00 N ATOM 175 CA LEU C 12 50.935 -11.682 0.988 1.00 0.00 C ATOM 176 C LEU C 12 50.390 -12.309 -0.299 1.00 0.00 C ATOM 177 O LEU C 12 50.711 -13.429 -0.641 1.00 0.00 O ATOM 178 CB LEU C 12 52.329 -11.101 0.753 1.00 0.00 C ATOM 179 CG LEU C 12 52.625 -10.031 1.805 1.00 0.00 C ATOM 180 CD1 LEU C 12 53.955 -9.349 1.480 1.00 0.00 C ATOM 181 CD2 LEU C 12 51.506 -8.987 1.799 1.00 0.00 C ATOM 0 H LEU C 12 52.086 -13.038 2.168 1.00 0.00 H new ATOM 0 HA LEU C 12 50.222 -10.917 1.295 1.00 0.00 H new ATOM 0 HB2 LEU C 12 53.077 -11.892 0.805 1.00 0.00 H new ATOM 0 HB3 LEU C 12 52.390 -10.669 -0.246 1.00 0.00 H new ATOM 0 HG LEU C 12 52.685 -10.497 2.789 1.00 0.00 H new ATOM 0 HD11 LEU C 12 54.166 -8.586 2.230 1.00 0.00 H new ATOM 0 HD12 LEU C 12 54.754 -10.090 1.482 1.00 0.00 H new ATOM 0 HD13 LEU C 12 53.894 -8.883 0.496 1.00 0.00 H new ATOM 0 HD21 LEU C 12 51.716 -8.224 2.549 1.00 0.00 H new ATOM 0 HD22 LEU C 12 51.447 -8.522 0.815 1.00 0.00 H new ATOM 0 HD23 LEU C 12 50.556 -9.470 2.029 1.00 0.00 H new ATOM 193 N THR C 13 49.568 -11.592 -1.016 1.00 0.00 N ATOM 194 CA THR C 13 49.004 -12.145 -2.281 1.00 0.00 C ATOM 195 C THR C 13 49.751 -11.573 -3.489 1.00 0.00 C ATOM 196 O THR C 13 50.184 -10.438 -3.481 1.00 0.00 O ATOM 197 CB THR C 13 47.543 -11.691 -2.291 1.00 0.00 C ATOM 198 OG1 THR C 13 47.458 -10.369 -1.778 1.00 0.00 O ATOM 199 CG2 THR C 13 46.707 -12.632 -1.422 1.00 0.00 C ATOM 0 H THR C 13 49.263 -10.648 -0.781 1.00 0.00 H new ATOM 0 HA THR C 13 49.097 -13.230 -2.336 1.00 0.00 H new ATOM 0 HB THR C 13 47.163 -11.711 -3.312 1.00 0.00 H new ATOM 0 HG1 THR C 13 46.523 -10.075 -1.785 1.00 0.00 H new ATOM 0 HG21 THR C 13 45.667 -12.307 -1.430 1.00 0.00 H new ATOM 0 HG22 THR C 13 46.773 -13.646 -1.816 1.00 0.00 H new ATOM 0 HG23 THR C 13 47.084 -12.614 -0.400 1.00 0.00 H new ATOM 207 N GLU C 14 49.905 -12.349 -4.527 1.00 0.00 N ATOM 208 CA GLU C 14 50.624 -11.846 -5.734 1.00 0.00 C ATOM 209 C GLU C 14 50.179 -10.416 -6.055 1.00 0.00 C ATOM 210 O GLU C 14 50.986 -9.555 -6.343 1.00 0.00 O ATOM 211 CB GLU C 14 50.222 -12.799 -6.861 1.00 0.00 C ATOM 212 CG GLU C 14 51.268 -13.909 -6.986 1.00 0.00 C ATOM 213 CD GLU C 14 50.568 -15.245 -7.248 1.00 0.00 C ATOM 214 OE1 GLU C 14 49.349 -15.250 -7.310 1.00 0.00 O ATOM 215 OE2 GLU C 14 51.261 -16.239 -7.381 1.00 0.00 O ATOM 0 H GLU C 14 49.565 -13.308 -4.592 1.00 0.00 H new ATOM 0 HA GLU C 14 51.704 -11.818 -5.591 1.00 0.00 H new ATOM 0 HB2 GLU C 14 49.242 -13.229 -6.656 1.00 0.00 H new ATOM 0 HB3 GLU C 14 50.140 -12.254 -7.801 1.00 0.00 H new ATOM 0 HG2 GLU C 14 51.958 -13.683 -7.799 1.00 0.00 H new ATOM 0 HG3 GLU C 14 51.860 -13.970 -6.073 1.00 0.00 H new ATOM 222 N GLU C 15 48.901 -10.156 -6.001 1.00 0.00 N ATOM 223 CA GLU C 15 48.408 -8.781 -6.296 1.00 0.00 C ATOM 224 C GLU C 15 49.143 -7.763 -5.422 1.00 0.00 C ATOM 225 O GLU C 15 49.630 -6.756 -5.897 1.00 0.00 O ATOM 226 CB GLU C 15 46.920 -8.810 -5.945 1.00 0.00 C ATOM 227 CG GLU C 15 46.123 -8.083 -7.031 1.00 0.00 C ATOM 228 CD GLU C 15 44.706 -7.804 -6.524 1.00 0.00 C ATOM 229 OE1 GLU C 15 44.523 -7.786 -5.317 1.00 0.00 O ATOM 230 OE2 GLU C 15 43.829 -7.615 -7.350 1.00 0.00 O ATOM 0 H GLU C 15 48.178 -10.836 -5.766 1.00 0.00 H new ATOM 0 HA GLU C 15 48.576 -8.494 -7.334 1.00 0.00 H new ATOM 0 HB2 GLU C 15 46.577 -9.841 -5.856 1.00 0.00 H new ATOM 0 HB3 GLU C 15 46.755 -8.335 -4.978 1.00 0.00 H new ATOM 0 HG2 GLU C 15 46.617 -7.148 -7.295 1.00 0.00 H new ATOM 0 HG3 GLU C 15 46.084 -8.689 -7.936 1.00 0.00 H new ATOM 237 N GLN C 16 49.228 -8.019 -4.145 1.00 0.00 N ATOM 238 CA GLN C 16 49.932 -7.070 -3.236 1.00 0.00 C ATOM 239 C GLN C 16 51.406 -6.949 -3.635 1.00 0.00 C ATOM 240 O GLN C 16 51.876 -5.887 -3.988 1.00 0.00 O ATOM 241 CB GLN C 16 49.802 -7.684 -1.842 1.00 0.00 C ATOM 242 CG GLN C 16 50.348 -6.706 -0.800 1.00 0.00 C ATOM 243 CD GLN C 16 49.185 -5.973 -0.130 1.00 0.00 C ATOM 244 OE1 GLN C 16 48.656 -5.024 -0.674 1.00 0.00 O ATOM 245 NE2 GLN C 16 48.762 -6.376 1.037 1.00 0.00 N ATOM 0 H GLN C 16 48.840 -8.846 -3.691 1.00 0.00 H new ATOM 0 HA GLN C 16 49.508 -6.067 -3.280 1.00 0.00 H new ATOM 0 HB2 GLN C 16 48.758 -7.912 -1.630 1.00 0.00 H new ATOM 0 HB3 GLN C 16 50.350 -8.625 -1.795 1.00 0.00 H new ATOM 0 HG2 GLN C 16 50.932 -7.243 -0.053 1.00 0.00 H new ATOM 0 HG3 GLN C 16 51.019 -5.989 -1.274 1.00 0.00 H new ATOM 0 HE21 GLN C 16 49.206 -7.173 1.493 1.00 0.00 H new ATOM 0 HE22 GLN C 16 47.987 -5.894 1.493 1.00 0.00 H new ATOM 254 N LYS C 17 52.137 -8.031 -3.581 1.00 0.00 N ATOM 255 CA LYS C 17 53.578 -7.974 -3.961 1.00 0.00 C ATOM 256 C LYS C 17 53.757 -7.126 -5.222 1.00 0.00 C ATOM 257 O LYS C 17 54.623 -6.277 -5.293 1.00 0.00 O ATOM 258 CB LYS C 17 53.979 -9.424 -4.229 1.00 0.00 C ATOM 259 CG LYS C 17 54.406 -10.088 -2.918 1.00 0.00 C ATOM 260 CD LYS C 17 54.317 -11.608 -3.065 1.00 0.00 C ATOM 261 CE LYS C 17 55.162 -12.056 -4.260 1.00 0.00 C ATOM 262 NZ LYS C 17 56.098 -13.076 -3.709 1.00 0.00 N ATOM 0 H LYS C 17 51.799 -8.949 -3.291 1.00 0.00 H new ATOM 0 HA LYS C 17 54.192 -7.521 -3.182 1.00 0.00 H new ATOM 0 HB2 LYS C 17 53.143 -9.968 -4.669 1.00 0.00 H new ATOM 0 HB3 LYS C 17 54.796 -9.459 -4.949 1.00 0.00 H new ATOM 0 HG2 LYS C 17 55.425 -9.795 -2.664 1.00 0.00 H new ATOM 0 HG3 LYS C 17 53.766 -9.752 -2.102 1.00 0.00 H new ATOM 0 HD2 LYS C 17 54.669 -12.093 -2.155 1.00 0.00 H new ATOM 0 HD3 LYS C 17 53.279 -11.910 -3.206 1.00 0.00 H new ATOM 0 HE2 LYS C 17 54.539 -12.477 -5.049 1.00 0.00 H new ATOM 0 HE3 LYS C 17 55.704 -11.217 -4.697 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 56.712 -13.431 -4.470 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 56.683 -12.644 -2.965 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 55.553 -13.865 -3.307 1.00 0.00 H new ATOM 276 N ASN C 18 52.941 -7.347 -6.217 1.00 0.00 N ATOM 277 CA ASN C 18 53.064 -6.550 -7.471 1.00 0.00 C ATOM 278 C ASN C 18 53.104 -5.056 -7.139 1.00 0.00 C ATOM 279 O ASN C 18 53.693 -4.267 -7.851 1.00 0.00 O ATOM 280 CB ASN C 18 51.816 -6.890 -8.284 1.00 0.00 C ATOM 281 CG ASN C 18 52.040 -8.206 -9.031 1.00 0.00 C ATOM 282 OD1 ASN C 18 53.090 -8.420 -9.603 1.00 0.00 O ATOM 283 ND2 ASN C 18 51.092 -9.103 -9.048 1.00 0.00 N ATOM 0 H ASN C 18 52.196 -8.044 -6.216 1.00 0.00 H new ATOM 0 HA ASN C 18 53.977 -6.779 -8.021 1.00 0.00 H new ATOM 0 HB2 ASN C 18 50.952 -6.975 -7.626 1.00 0.00 H new ATOM 0 HB3 ASN C 18 51.600 -6.089 -8.992 1.00 0.00 H new ATOM 0 HD21 ASN C 18 51.233 -9.984 -9.542 1.00 0.00 H new ATOM 0 HD22 ASN C 18 50.211 -8.923 -8.567 1.00 0.00 H new ATOM 290 N GLU C 19 52.487 -4.663 -6.057 1.00 0.00 N ATOM 291 CA GLU C 19 52.497 -3.222 -5.678 1.00 0.00 C ATOM 292 C GLU C 19 53.833 -2.870 -5.019 1.00 0.00 C ATOM 293 O GLU C 19 54.445 -1.867 -5.328 1.00 0.00 O ATOM 294 CB GLU C 19 51.348 -3.061 -4.682 1.00 0.00 C ATOM 295 CG GLU C 19 50.869 -1.608 -4.687 1.00 0.00 C ATOM 296 CD GLU C 19 50.415 -1.215 -3.281 1.00 0.00 C ATOM 297 OE1 GLU C 19 51.145 -1.494 -2.344 1.00 0.00 O ATOM 298 OE2 GLU C 19 49.345 -0.641 -3.165 1.00 0.00 O ATOM 0 H GLU C 19 51.978 -5.277 -5.421 1.00 0.00 H new ATOM 0 HA GLU C 19 52.378 -2.565 -6.539 1.00 0.00 H new ATOM 0 HB2 GLU C 19 50.527 -3.727 -4.947 1.00 0.00 H new ATOM 0 HB3 GLU C 19 51.677 -3.343 -3.682 1.00 0.00 H new ATOM 0 HG2 GLU C 19 51.673 -0.950 -5.018 1.00 0.00 H new ATOM 0 HG3 GLU C 19 50.047 -1.487 -5.393 1.00 0.00 H new ATOM 305 N PHE C 20 54.292 -3.692 -4.116 1.00 0.00 N ATOM 306 CA PHE C 20 55.590 -3.412 -3.440 1.00 0.00 C ATOM 307 C PHE C 20 56.739 -3.508 -4.447 1.00 0.00 C ATOM 308 O PHE C 20 57.553 -2.613 -4.561 1.00 0.00 O ATOM 309 CB PHE C 20 55.721 -4.495 -2.366 1.00 0.00 C ATOM 310 CG PHE C 20 54.555 -4.410 -1.409 1.00 0.00 C ATOM 311 CD1 PHE C 20 53.883 -3.195 -1.221 1.00 0.00 C ATOM 312 CD2 PHE C 20 54.146 -5.551 -0.707 1.00 0.00 C ATOM 313 CE1 PHE C 20 52.804 -3.122 -0.331 1.00 0.00 C ATOM 314 CE2 PHE C 20 53.067 -5.477 0.183 1.00 0.00 C ATOM 315 CZ PHE C 20 52.396 -4.263 0.370 1.00 0.00 C ATOM 0 H PHE C 20 53.823 -4.547 -3.817 1.00 0.00 H new ATOM 0 HA PHE C 20 55.627 -2.410 -3.011 1.00 0.00 H new ATOM 0 HB2 PHE C 20 55.750 -5.480 -2.832 1.00 0.00 H new ATOM 0 HB3 PHE C 20 56.658 -4.371 -1.824 1.00 0.00 H new ATOM 0 HD1 PHE C 20 54.197 -2.315 -1.762 1.00 0.00 H new ATOM 0 HD2 PHE C 20 54.663 -6.488 -0.852 1.00 0.00 H new ATOM 0 HE1 PHE C 20 52.287 -2.185 -0.185 1.00 0.00 H new ATOM 0 HE2 PHE C 20 52.753 -6.357 0.725 1.00 0.00 H new ATOM 0 HZ PHE C 20 51.563 -4.206 1.055 1.00 0.00 H new ATOM 325 N LYS C 21 56.809 -4.585 -5.182 1.00 0.00 N ATOM 326 CA LYS C 21 57.905 -4.730 -6.182 1.00 0.00 C ATOM 327 C LYS C 21 57.955 -3.495 -7.088 1.00 0.00 C ATOM 328 O LYS C 21 58.987 -3.147 -7.625 1.00 0.00 O ATOM 329 CB LYS C 21 57.550 -5.986 -6.985 1.00 0.00 C ATOM 330 CG LYS C 21 56.471 -5.658 -8.019 1.00 0.00 C ATOM 331 CD LYS C 21 57.136 -5.282 -9.344 1.00 0.00 C ATOM 332 CE LYS C 21 56.218 -4.343 -10.130 1.00 0.00 C ATOM 333 NZ LYS C 21 55.665 -5.179 -11.232 1.00 0.00 N ATOM 0 H LYS C 21 56.157 -5.368 -5.134 1.00 0.00 H new ATOM 0 HA LYS C 21 58.886 -4.818 -5.715 1.00 0.00 H new ATOM 0 HB2 LYS C 21 58.439 -6.372 -7.484 1.00 0.00 H new ATOM 0 HB3 LYS C 21 57.196 -6.769 -6.314 1.00 0.00 H new ATOM 0 HG2 LYS C 21 55.814 -6.516 -8.160 1.00 0.00 H new ATOM 0 HG3 LYS C 21 55.850 -4.835 -7.665 1.00 0.00 H new ATOM 0 HD2 LYS C 21 58.094 -4.798 -9.157 1.00 0.00 H new ATOM 0 HD3 LYS C 21 57.341 -6.180 -9.928 1.00 0.00 H new ATOM 0 HE2 LYS C 21 55.423 -3.947 -9.498 1.00 0.00 H new ATOM 0 HE3 LYS C 21 56.769 -3.488 -10.521 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 55.025 -4.604 -11.816 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 56.444 -5.536 -11.821 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 55.140 -5.981 -10.829 1.00 0.00 H new ATOM 347 N ALA C 22 56.844 -2.829 -7.258 1.00 0.00 N ATOM 348 CA ALA C 22 56.825 -1.616 -8.124 1.00 0.00 C ATOM 349 C ALA C 22 57.529 -0.454 -7.417 1.00 0.00 C ATOM 350 O ALA C 22 58.494 0.093 -7.909 1.00 0.00 O ATOM 351 CB ALA C 22 55.343 -1.300 -8.332 1.00 0.00 C ATOM 0 H ALA C 22 55.949 -3.073 -6.834 1.00 0.00 H new ATOM 0 HA ALA C 22 57.343 -1.774 -9.070 1.00 0.00 H new ATOM 0 HB1 ALA C 22 55.244 -0.416 -8.962 1.00 0.00 H new ATOM 0 HB2 ALA C 22 54.855 -2.146 -8.815 1.00 0.00 H new ATOM 0 HB3 ALA C 22 54.872 -1.112 -7.367 1.00 0.00 H new ATOM 357 N ALA C 23 57.052 -0.078 -6.261 1.00 0.00 N ATOM 358 CA ALA C 23 57.695 1.046 -5.521 1.00 0.00 C ATOM 359 C ALA C 23 59.184 0.753 -5.316 1.00 0.00 C ATOM 360 O ALA C 23 60.011 1.642 -5.337 1.00 0.00 O ATOM 361 CB ALA C 23 56.970 1.101 -4.176 1.00 0.00 C ATOM 0 H ALA C 23 56.247 -0.499 -5.798 1.00 0.00 H new ATOM 0 HA ALA C 23 57.625 1.991 -6.059 1.00 0.00 H new ATOM 0 HB1 ALA C 23 57.387 1.906 -3.571 1.00 0.00 H new ATOM 0 HB2 ALA C 23 55.908 1.284 -4.342 1.00 0.00 H new ATOM 0 HB3 ALA C 23 57.097 0.152 -3.655 1.00 0.00 H new ATOM 367 N PHE C 24 59.529 -0.491 -5.124 1.00 0.00 N ATOM 368 CA PHE C 24 60.963 -0.847 -4.922 1.00 0.00 C ATOM 369 C PHE C 24 61.742 -0.647 -6.224 1.00 0.00 C ATOM 370 O PHE C 24 62.917 -0.341 -6.216 1.00 0.00 O ATOM 371 CB PHE C 24 60.948 -2.324 -4.525 1.00 0.00 C ATOM 372 CG PHE C 24 62.364 -2.844 -4.454 1.00 0.00 C ATOM 373 CD1 PHE C 24 62.999 -3.306 -5.612 1.00 0.00 C ATOM 374 CD2 PHE C 24 63.041 -2.864 -3.229 1.00 0.00 C ATOM 375 CE1 PHE C 24 64.312 -3.790 -5.546 1.00 0.00 C ATOM 376 CE2 PHE C 24 64.353 -3.349 -3.162 1.00 0.00 C ATOM 377 CZ PHE C 24 64.988 -3.811 -4.320 1.00 0.00 C ATOM 0 H PHE C 24 58.879 -1.277 -5.098 1.00 0.00 H new ATOM 0 HA PHE C 24 61.444 -0.227 -4.166 1.00 0.00 H new ATOM 0 HB2 PHE C 24 60.456 -2.447 -3.560 1.00 0.00 H new ATOM 0 HB3 PHE C 24 60.374 -2.900 -5.251 1.00 0.00 H new ATOM 0 HD1 PHE C 24 62.477 -3.289 -6.557 1.00 0.00 H new ATOM 0 HD2 PHE C 24 62.552 -2.505 -2.336 1.00 0.00 H new ATOM 0 HE1 PHE C 24 64.802 -4.147 -6.440 1.00 0.00 H new ATOM 0 HE2 PHE C 24 64.875 -3.366 -2.217 1.00 0.00 H new ATOM 0 HZ PHE C 24 66.000 -4.184 -4.268 1.00 0.00 H new ATOM 387 N ASP C 25 61.093 -0.818 -7.343 1.00 0.00 N ATOM 388 CA ASP C 25 61.793 -0.636 -8.647 1.00 0.00 C ATOM 389 C ASP C 25 62.157 0.837 -8.849 1.00 0.00 C ATOM 390 O ASP C 25 63.269 1.168 -9.208 1.00 0.00 O ATOM 391 CB ASP C 25 60.783 -1.093 -9.701 1.00 0.00 C ATOM 392 CG ASP C 25 61.522 -1.507 -10.976 1.00 0.00 C ATOM 393 OD1 ASP C 25 62.490 -0.849 -11.315 1.00 0.00 O ATOM 394 OD2 ASP C 25 61.105 -2.476 -11.590 1.00 0.00 O ATOM 0 H ASP C 25 60.108 -1.076 -7.411 1.00 0.00 H new ATOM 0 HA ASP C 25 62.724 -1.201 -8.703 1.00 0.00 H new ATOM 0 HB2 ASP C 25 60.198 -1.930 -9.320 1.00 0.00 H new ATOM 0 HB3 ASP C 25 60.082 -0.288 -9.920 1.00 0.00 H new ATOM 399 N ILE C 26 61.227 1.725 -8.618 1.00 0.00 N ATOM 400 CA ILE C 26 61.522 3.176 -8.796 1.00 0.00 C ATOM 401 C ILE C 26 62.549 3.638 -7.760 1.00 0.00 C ATOM 402 O ILE C 26 63.251 4.611 -7.957 1.00 0.00 O ATOM 403 CB ILE C 26 60.185 3.881 -8.570 1.00 0.00 C ATOM 404 CG1 ILE C 26 59.272 3.634 -9.772 1.00 0.00 C ATOM 405 CG2 ILE C 26 60.419 5.382 -8.406 1.00 0.00 C ATOM 406 CD1 ILE C 26 58.394 2.413 -9.500 1.00 0.00 C ATOM 0 H ILE C 26 60.278 1.509 -8.314 1.00 0.00 H new ATOM 0 HA ILE C 26 61.940 3.394 -9.779 1.00 0.00 H new ATOM 0 HB ILE C 26 59.715 3.489 -7.668 1.00 0.00 H new ATOM 0 HG12 ILE C 26 58.649 4.510 -9.956 1.00 0.00 H new ATOM 0 HG13 ILE C 26 59.869 3.473 -10.670 1.00 0.00 H new ATOM 0 HG21 ILE C 26 59.465 5.884 -8.245 1.00 0.00 H new ATOM 0 HG22 ILE C 26 61.070 5.557 -7.550 1.00 0.00 H new ATOM 0 HG23 ILE C 26 60.889 5.777 -9.306 1.00 0.00 H new ATOM 0 HD11 ILE C 26 57.743 2.235 -10.356 1.00 0.00 H new ATOM 0 HD12 ILE C 26 59.026 1.540 -9.337 1.00 0.00 H new ATOM 0 HD13 ILE C 26 57.787 2.592 -8.613 1.00 0.00 H new ATOM 418 N PHE C 27 62.638 2.952 -6.655 1.00 0.00 N ATOM 419 CA PHE C 27 63.612 3.352 -5.600 1.00 0.00 C ATOM 420 C PHE C 27 65.047 3.273 -6.131 1.00 0.00 C ATOM 421 O PHE C 27 65.840 4.171 -5.935 1.00 0.00 O ATOM 422 CB PHE C 27 63.403 2.340 -4.472 1.00 0.00 C ATOM 423 CG PHE C 27 62.167 2.701 -3.675 1.00 0.00 C ATOM 424 CD1 PHE C 27 61.243 3.628 -4.181 1.00 0.00 C ATOM 425 CD2 PHE C 27 61.946 2.106 -2.428 1.00 0.00 C ATOM 426 CE1 PHE C 27 60.103 3.958 -3.438 1.00 0.00 C ATOM 427 CE2 PHE C 27 60.806 2.437 -1.685 1.00 0.00 C ATOM 428 CZ PHE C 27 59.885 3.362 -2.190 1.00 0.00 C ATOM 0 H PHE C 27 62.077 2.129 -6.436 1.00 0.00 H new ATOM 0 HA PHE C 27 63.459 4.379 -5.268 1.00 0.00 H new ATOM 0 HB2 PHE C 27 63.298 1.337 -4.887 1.00 0.00 H new ATOM 0 HB3 PHE C 27 64.276 2.326 -3.819 1.00 0.00 H new ATOM 0 HD1 PHE C 27 61.411 4.087 -5.144 1.00 0.00 H new ATOM 0 HD2 PHE C 27 62.655 1.391 -2.038 1.00 0.00 H new ATOM 0 HE1 PHE C 27 59.392 4.672 -3.827 1.00 0.00 H new ATOM 0 HE2 PHE C 27 60.637 1.978 -0.722 1.00 0.00 H new ATOM 0 HZ PHE C 27 59.006 3.616 -1.617 1.00 0.00 H new ATOM 438 N VAL C 28 65.389 2.203 -6.794 1.00 0.00 N ATOM 439 CA VAL C 28 66.776 2.066 -7.327 1.00 0.00 C ATOM 440 C VAL C 28 66.857 2.616 -8.757 1.00 0.00 C ATOM 441 O VAL C 28 67.792 3.303 -9.116 1.00 0.00 O ATOM 442 CB VAL C 28 67.055 0.563 -7.305 1.00 0.00 C ATOM 443 CG1 VAL C 28 66.606 -0.022 -5.965 1.00 0.00 C ATOM 444 CG2 VAL C 28 66.285 -0.117 -8.439 1.00 0.00 C ATOM 0 H VAL C 28 64.769 1.417 -6.990 1.00 0.00 H new ATOM 0 HA VAL C 28 67.504 2.625 -6.739 1.00 0.00 H new ATOM 0 HB VAL C 28 68.124 0.393 -7.437 1.00 0.00 H new ATOM 0 HG11 VAL C 28 66.805 -1.094 -5.951 1.00 0.00 H new ATOM 0 HG12 VAL C 28 67.154 0.460 -5.156 1.00 0.00 H new ATOM 0 HG13 VAL C 28 65.538 0.150 -5.833 1.00 0.00 H new ATOM 0 HG21 VAL C 28 66.484 -1.188 -8.423 1.00 0.00 H new ATOM 0 HG22 VAL C 28 65.217 0.055 -8.308 1.00 0.00 H new ATOM 0 HG23 VAL C 28 66.605 0.297 -9.395 1.00 0.00 H new ATOM 454 N LEU C 29 65.882 2.319 -9.571 1.00 0.00 N ATOM 455 CA LEU C 29 65.891 2.823 -10.978 1.00 0.00 C ATOM 456 C LEU C 29 67.277 2.656 -11.615 1.00 0.00 C ATOM 457 O LEU C 29 67.586 1.628 -12.184 1.00 0.00 O ATOM 458 CB LEU C 29 65.517 4.303 -10.875 1.00 0.00 C ATOM 459 CG LEU C 29 64.041 4.481 -11.226 1.00 0.00 C ATOM 460 CD1 LEU C 29 63.600 5.903 -10.875 1.00 0.00 C ATOM 461 CD2 LEU C 29 63.842 4.240 -12.724 1.00 0.00 C ATOM 0 H LEU C 29 65.075 1.747 -9.323 1.00 0.00 H new ATOM 0 HA LEU C 29 65.197 2.269 -11.609 1.00 0.00 H new ATOM 0 HB2 LEU C 29 65.708 4.668 -9.866 1.00 0.00 H new ATOM 0 HB3 LEU C 29 66.136 4.893 -11.550 1.00 0.00 H new ATOM 0 HG LEU C 29 63.444 3.766 -10.660 1.00 0.00 H new ATOM 0 HD11 LEU C 29 62.547 6.030 -11.126 1.00 0.00 H new ATOM 0 HD12 LEU C 29 63.742 6.075 -9.808 1.00 0.00 H new ATOM 0 HD13 LEU C 29 64.196 6.619 -11.441 1.00 0.00 H new ATOM 0 HD21 LEU C 29 62.789 4.367 -12.976 1.00 0.00 H new ATOM 0 HD22 LEU C 29 64.439 4.955 -13.290 1.00 0.00 H new ATOM 0 HD23 LEU C 29 64.156 3.227 -12.974 1.00 0.00 H new ATOM 473 N GLY C 30 68.109 3.661 -11.539 1.00 0.00 N ATOM 474 CA GLY C 30 69.462 3.555 -12.157 1.00 0.00 C ATOM 475 C GLY C 30 70.471 3.051 -11.127 1.00 0.00 C ATOM 476 O GLY C 30 71.559 3.577 -11.002 1.00 0.00 O ATOM 0 H GLY C 30 67.910 4.548 -11.077 1.00 0.00 H new ATOM 0 HA2 GLY C 30 69.429 2.875 -13.008 1.00 0.00 H new ATOM 0 HA3 GLY C 30 69.774 4.528 -12.537 1.00 0.00 H new ATOM 480 N ALA C 31 70.124 2.033 -10.390 1.00 0.00 N ATOM 481 CA ALA C 31 71.071 1.497 -9.372 1.00 0.00 C ATOM 482 C ALA C 31 72.093 0.572 -10.037 1.00 0.00 C ATOM 483 O ALA C 31 71.988 0.253 -11.205 1.00 0.00 O ATOM 484 CB ALA C 31 70.199 0.713 -8.394 1.00 0.00 C ATOM 0 H ALA C 31 69.228 1.550 -10.448 1.00 0.00 H new ATOM 0 HA ALA C 31 71.633 2.287 -8.874 1.00 0.00 H new ATOM 0 HB1 ALA C 31 70.825 0.285 -7.611 1.00 0.00 H new ATOM 0 HB2 ALA C 31 69.463 1.381 -7.946 1.00 0.00 H new ATOM 0 HB3 ALA C 31 69.685 -0.088 -8.926 1.00 0.00 H new ATOM 490 N GLU C 32 73.080 0.136 -9.303 1.00 0.00 N ATOM 491 CA GLU C 32 74.105 -0.771 -9.895 1.00 0.00 C ATOM 492 C GLU C 32 73.838 -2.216 -9.460 1.00 0.00 C ATOM 493 O GLU C 32 74.151 -3.155 -10.165 1.00 0.00 O ATOM 494 CB GLU C 32 75.443 -0.275 -9.340 1.00 0.00 C ATOM 495 CG GLU C 32 75.590 -0.707 -7.879 1.00 0.00 C ATOM 496 CD GLU C 32 76.980 -0.319 -7.368 1.00 0.00 C ATOM 497 OE1 GLU C 32 77.337 0.839 -7.507 1.00 0.00 O ATOM 498 OE2 GLU C 32 77.663 -1.187 -6.850 1.00 0.00 O ATOM 0 H GLU C 32 73.221 0.368 -8.320 1.00 0.00 H new ATOM 0 HA GLU C 32 74.092 -0.760 -10.985 1.00 0.00 H new ATOM 0 HB2 GLU C 32 76.265 -0.678 -9.932 1.00 0.00 H new ATOM 0 HB3 GLU C 32 75.498 0.811 -9.415 1.00 0.00 H new ATOM 0 HG2 GLU C 32 74.821 -0.232 -7.269 1.00 0.00 H new ATOM 0 HG3 GLU C 32 75.446 -1.784 -7.791 1.00 0.00 H new ATOM 505 N ASP C 33 73.261 -2.399 -8.303 1.00 0.00 N ATOM 506 CA ASP C 33 72.971 -3.780 -7.821 1.00 0.00 C ATOM 507 C ASP C 33 71.504 -3.895 -7.402 1.00 0.00 C ATOM 508 O ASP C 33 71.154 -4.670 -6.533 1.00 0.00 O ATOM 509 CB ASP C 33 73.890 -3.981 -6.617 1.00 0.00 C ATOM 510 CG ASP C 33 75.186 -4.653 -7.072 1.00 0.00 C ATOM 511 OD1 ASP C 33 75.145 -5.364 -8.062 1.00 0.00 O ATOM 512 OD2 ASP C 33 76.198 -4.445 -6.423 1.00 0.00 O ATOM 0 H ASP C 33 72.978 -1.651 -7.670 1.00 0.00 H new ATOM 0 HA ASP C 33 73.141 -4.531 -8.592 1.00 0.00 H new ATOM 0 HB2 ASP C 33 74.110 -3.021 -6.150 1.00 0.00 H new ATOM 0 HB3 ASP C 33 73.394 -4.595 -5.866 1.00 0.00 H new ATOM 517 N GLY C 34 70.641 -3.128 -8.012 1.00 0.00 N ATOM 518 CA GLY C 34 69.197 -3.193 -7.648 1.00 0.00 C ATOM 519 C GLY C 34 69.049 -3.100 -6.128 1.00 0.00 C ATOM 520 O GLY C 34 68.445 -3.950 -5.501 1.00 0.00 O ATOM 0 H GLY C 34 70.874 -2.460 -8.746 1.00 0.00 H new ATOM 0 HA2 GLY C 34 68.653 -2.379 -8.127 1.00 0.00 H new ATOM 0 HA3 GLY C 34 68.761 -4.124 -8.010 1.00 0.00 H new ATOM 524 N CYS C 35 69.593 -2.076 -5.528 1.00 0.00 N ATOM 525 CA CYS C 35 69.481 -1.931 -4.048 1.00 0.00 C ATOM 526 C CYS C 35 69.131 -0.485 -3.685 1.00 0.00 C ATOM 527 O CYS C 35 69.196 0.404 -4.510 1.00 0.00 O ATOM 528 CB CYS C 35 70.862 -2.301 -3.508 1.00 0.00 C ATOM 529 SG CYS C 35 72.109 -1.217 -4.249 1.00 0.00 S ATOM 0 H CYS C 35 70.110 -1.333 -5.999 1.00 0.00 H new ATOM 0 HA CYS C 35 68.698 -2.562 -3.628 1.00 0.00 H new ATOM 0 HB2 CYS C 35 70.878 -2.203 -2.423 1.00 0.00 H new ATOM 0 HB3 CYS C 35 71.087 -3.342 -3.738 1.00 0.00 H new ATOM 0 HG CYS C 35 73.284 -1.529 -3.789 1.00 0.00 H new ATOM 535 N ILE C 36 68.757 -0.241 -2.458 1.00 0.00 N ATOM 536 CA ILE C 36 68.404 1.150 -2.051 1.00 0.00 C ATOM 537 C ILE C 36 69.354 1.641 -0.955 1.00 0.00 C ATOM 538 O ILE C 36 69.930 0.864 -0.220 1.00 0.00 O ATOM 539 CB ILE C 36 66.973 1.057 -1.522 1.00 0.00 C ATOM 540 CG1 ILE C 36 66.081 0.403 -2.579 1.00 0.00 C ATOM 541 CG2 ILE C 36 66.449 2.459 -1.211 1.00 0.00 C ATOM 542 CD1 ILE C 36 65.015 -0.451 -1.891 1.00 0.00 C ATOM 0 H ILE C 36 68.681 -0.942 -1.721 1.00 0.00 H new ATOM 0 HA ILE C 36 68.487 1.855 -2.878 1.00 0.00 H new ATOM 0 HB ILE C 36 66.962 0.456 -0.613 1.00 0.00 H new ATOM 0 HG12 ILE C 36 65.608 1.168 -3.194 1.00 0.00 H new ATOM 0 HG13 ILE C 36 66.682 -0.215 -3.246 1.00 0.00 H new ATOM 0 HG21 ILE C 36 65.429 2.391 -0.834 1.00 0.00 H new ATOM 0 HG22 ILE C 36 67.084 2.926 -0.458 1.00 0.00 H new ATOM 0 HG23 ILE C 36 66.461 3.062 -2.119 1.00 0.00 H new ATOM 0 HD11 ILE C 36 64.380 -0.917 -2.644 1.00 0.00 H new ATOM 0 HD12 ILE C 36 65.498 -1.225 -1.295 1.00 0.00 H new ATOM 0 HD13 ILE C 36 64.406 0.179 -1.243 1.00 0.00 H new ATOM 554 N SER C 37 69.522 2.930 -0.845 1.00 0.00 N ATOM 555 CA SER C 37 70.435 3.490 0.193 1.00 0.00 C ATOM 556 C SER C 37 70.066 4.944 0.469 1.00 0.00 C ATOM 557 O SER C 37 70.916 5.798 0.607 1.00 0.00 O ATOM 558 CB SER C 37 71.814 3.418 -0.433 1.00 0.00 C ATOM 559 OG SER C 37 72.755 2.978 0.537 1.00 0.00 O ATOM 0 H SER C 37 69.063 3.625 -1.434 1.00 0.00 H new ATOM 0 HA SER C 37 70.378 2.950 1.138 1.00 0.00 H new ATOM 0 HB2 SER C 37 71.804 2.734 -1.281 1.00 0.00 H new ATOM 0 HB3 SER C 37 72.102 4.397 -0.816 1.00 0.00 H new ATOM 0 HG SER C 37 73.646 2.930 0.131 1.00 0.00 H new ATOM 565 N THR C 38 68.799 5.221 0.517 1.00 0.00 N ATOM 566 CA THR C 38 68.319 6.620 0.751 1.00 0.00 C ATOM 567 C THR C 38 68.598 7.459 -0.495 1.00 0.00 C ATOM 568 O THR C 38 67.694 7.977 -1.119 1.00 0.00 O ATOM 569 CB THR C 38 69.090 7.170 1.962 1.00 0.00 C ATOM 570 OG1 THR C 38 70.293 7.787 1.527 1.00 0.00 O ATOM 571 CG2 THR C 38 69.412 6.046 2.950 1.00 0.00 C ATOM 0 H THR C 38 68.057 4.531 0.403 1.00 0.00 H new ATOM 0 HA THR C 38 67.247 6.649 0.947 1.00 0.00 H new ATOM 0 HB THR C 38 68.466 7.908 2.466 1.00 0.00 H new ATOM 0 HG1 THR C 38 70.985 7.104 1.403 1.00 0.00 H new ATOM 0 HG21 THR C 38 69.958 6.454 3.800 1.00 0.00 H new ATOM 0 HG22 THR C 38 68.485 5.591 3.298 1.00 0.00 H new ATOM 0 HG23 THR C 38 70.023 5.291 2.456 1.00 0.00 H new ATOM 579 N LYS C 39 69.841 7.581 -0.881 1.00 0.00 N ATOM 580 CA LYS C 39 70.150 8.368 -2.106 1.00 0.00 C ATOM 581 C LYS C 39 69.248 7.879 -3.240 1.00 0.00 C ATOM 582 O LYS C 39 68.824 8.636 -4.090 1.00 0.00 O ATOM 583 CB LYS C 39 71.620 8.078 -2.415 1.00 0.00 C ATOM 584 CG LYS C 39 72.046 8.868 -3.655 1.00 0.00 C ATOM 585 CD LYS C 39 72.085 10.361 -3.324 1.00 0.00 C ATOM 586 CE LYS C 39 72.928 11.094 -4.370 1.00 0.00 C ATOM 587 NZ LYS C 39 73.542 12.237 -3.638 1.00 0.00 N ATOM 0 H LYS C 39 70.646 7.174 -0.406 1.00 0.00 H new ATOM 0 HA LYS C 39 69.982 9.438 -1.982 1.00 0.00 H new ATOM 0 HB2 LYS C 39 72.243 8.353 -1.564 1.00 0.00 H new ATOM 0 HB3 LYS C 39 71.764 7.011 -2.583 1.00 0.00 H new ATOM 0 HG2 LYS C 39 73.027 8.534 -3.992 1.00 0.00 H new ATOM 0 HG3 LYS C 39 71.349 8.685 -4.473 1.00 0.00 H new ATOM 0 HD2 LYS C 39 71.074 10.767 -3.307 1.00 0.00 H new ATOM 0 HD3 LYS C 39 72.506 10.513 -2.330 1.00 0.00 H new ATOM 0 HE2 LYS C 39 73.691 10.439 -4.791 1.00 0.00 H new ATOM 0 HE3 LYS C 39 72.313 11.442 -5.200 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 74.136 12.788 -4.290 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 72.792 12.846 -3.254 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 74.127 11.876 -2.858 1.00 0.00 H new ATOM 601 N GLU C 40 68.937 6.611 -3.236 1.00 0.00 N ATOM 602 CA GLU C 40 68.043 6.052 -4.287 1.00 0.00 C ATOM 603 C GLU C 40 66.589 6.209 -3.840 1.00 0.00 C ATOM 604 O GLU C 40 65.703 6.466 -4.631 1.00 0.00 O ATOM 605 CB GLU C 40 68.414 4.569 -4.377 1.00 0.00 C ATOM 606 CG GLU C 40 69.855 4.425 -4.866 1.00 0.00 C ATOM 607 CD GLU C 40 70.789 4.257 -3.666 1.00 0.00 C ATOM 608 OE1 GLU C 40 70.661 3.259 -2.976 1.00 0.00 O ATOM 609 OE2 GLU C 40 71.619 5.126 -3.461 1.00 0.00 O ATOM 0 H GLU C 40 69.266 5.936 -2.546 1.00 0.00 H new ATOM 0 HA GLU C 40 68.154 6.554 -5.248 1.00 0.00 H new ATOM 0 HB2 GLU C 40 68.303 4.097 -3.401 1.00 0.00 H new ATOM 0 HB3 GLU C 40 67.736 4.056 -5.059 1.00 0.00 H new ATOM 0 HG2 GLU C 40 69.940 3.564 -5.530 1.00 0.00 H new ATOM 0 HG3 GLU C 40 70.143 5.303 -5.444 1.00 0.00 H new ATOM 616 N LEU C 41 66.345 6.058 -2.565 1.00 0.00 N ATOM 617 CA LEU C 41 64.958 6.198 -2.037 1.00 0.00 C ATOM 618 C LEU C 41 64.534 7.670 -2.063 1.00 0.00 C ATOM 619 O LEU C 41 63.501 8.020 -2.598 1.00 0.00 O ATOM 620 CB LEU C 41 65.046 5.690 -0.594 1.00 0.00 C ATOM 621 CG LEU C 41 63.647 5.358 -0.068 1.00 0.00 C ATOM 622 CD1 LEU C 41 62.727 6.565 -0.247 1.00 0.00 C ATOM 623 CD2 LEU C 41 63.081 4.166 -0.839 1.00 0.00 C ATOM 0 H LEU C 41 67.053 5.842 -1.863 1.00 0.00 H new ATOM 0 HA LEU C 41 64.225 5.646 -2.625 1.00 0.00 H new ATOM 0 HB2 LEU C 41 65.679 4.804 -0.550 1.00 0.00 H new ATOM 0 HB3 LEU C 41 65.511 6.446 0.038 1.00 0.00 H new ATOM 0 HG LEU C 41 63.711 5.109 0.991 1.00 0.00 H new ATOM 0 HD11 LEU C 41 61.733 6.324 0.129 1.00 0.00 H new ATOM 0 HD12 LEU C 41 63.128 7.414 0.307 1.00 0.00 H new ATOM 0 HD13 LEU C 41 62.663 6.820 -1.305 1.00 0.00 H new ATOM 0 HD21 LEU C 41 62.085 3.930 -0.464 1.00 0.00 H new ATOM 0 HD22 LEU C 41 63.021 4.414 -1.899 1.00 0.00 H new ATOM 0 HD23 LEU C 41 63.733 3.303 -0.705 1.00 0.00 H new ATOM 635 N GLY C 42 65.325 8.530 -1.483 1.00 0.00 N ATOM 636 CA GLY C 42 64.976 9.980 -1.461 1.00 0.00 C ATOM 637 C GLY C 42 64.424 10.407 -2.824 1.00 0.00 C ATOM 638 O GLY C 42 63.551 11.247 -2.912 1.00 0.00 O ATOM 0 H GLY C 42 66.202 8.290 -1.021 1.00 0.00 H new ATOM 0 HA2 GLY C 42 64.237 10.173 -0.684 1.00 0.00 H new ATOM 0 HA3 GLY C 42 65.858 10.571 -1.215 1.00 0.00 H new ATOM 642 N LYS C 43 64.927 9.840 -3.885 1.00 0.00 N ATOM 643 CA LYS C 43 64.430 10.222 -5.238 1.00 0.00 C ATOM 644 C LYS C 43 62.900 10.300 -5.244 1.00 0.00 C ATOM 645 O LYS C 43 62.321 11.221 -5.784 1.00 0.00 O ATOM 646 CB LYS C 43 64.920 9.113 -6.170 1.00 0.00 C ATOM 647 CG LYS C 43 66.015 9.666 -7.084 1.00 0.00 C ATOM 648 CD LYS C 43 67.382 9.450 -6.435 1.00 0.00 C ATOM 649 CE LYS C 43 68.097 10.794 -6.285 1.00 0.00 C ATOM 650 NZ LYS C 43 68.961 10.908 -7.493 1.00 0.00 N ATOM 0 H LYS C 43 65.659 9.130 -3.875 1.00 0.00 H new ATOM 0 HA LYS C 43 64.793 11.202 -5.548 1.00 0.00 H new ATOM 0 HB2 LYS C 43 65.305 8.276 -5.587 1.00 0.00 H new ATOM 0 HB3 LYS C 43 64.091 8.731 -6.766 1.00 0.00 H new ATOM 0 HG2 LYS C 43 65.979 9.169 -8.053 1.00 0.00 H new ATOM 0 HG3 LYS C 43 65.850 10.728 -7.264 1.00 0.00 H new ATOM 0 HD2 LYS C 43 67.262 8.979 -5.459 1.00 0.00 H new ATOM 0 HD3 LYS C 43 67.982 8.773 -7.044 1.00 0.00 H new ATOM 0 HE2 LYS C 43 67.384 11.617 -6.231 1.00 0.00 H new ATOM 0 HE3 LYS C 43 68.690 10.826 -5.371 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 69.484 11.806 -7.462 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 69.634 10.116 -7.514 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 68.368 10.882 -8.347 1.00 0.00 H new ATOM 664 N VAL C 44 62.237 9.346 -4.645 1.00 0.00 N ATOM 665 CA VAL C 44 60.747 9.383 -4.623 1.00 0.00 C ATOM 666 C VAL C 44 60.266 10.527 -3.728 1.00 0.00 C ATOM 667 O VAL C 44 59.296 11.194 -4.026 1.00 0.00 O ATOM 668 CB VAL C 44 60.318 8.034 -4.045 1.00 0.00 C ATOM 669 CG1 VAL C 44 58.833 8.085 -3.669 1.00 0.00 C ATOM 670 CG2 VAL C 44 60.541 6.939 -5.091 1.00 0.00 C ATOM 0 H VAL C 44 62.661 8.547 -4.173 1.00 0.00 H new ATOM 0 HA VAL C 44 60.324 9.550 -5.614 1.00 0.00 H new ATOM 0 HB VAL C 44 60.909 7.816 -3.156 1.00 0.00 H new ATOM 0 HG11 VAL C 44 58.529 7.123 -3.257 1.00 0.00 H new ATOM 0 HG12 VAL C 44 58.673 8.865 -2.925 1.00 0.00 H new ATOM 0 HG13 VAL C 44 58.240 8.303 -4.557 1.00 0.00 H new ATOM 0 HG21 VAL C 44 60.236 5.976 -4.681 1.00 0.00 H new ATOM 0 HG22 VAL C 44 59.949 7.159 -5.980 1.00 0.00 H new ATOM 0 HG23 VAL C 44 61.597 6.901 -5.358 1.00 0.00 H new ATOM 680 N MET C 45 60.937 10.762 -2.634 1.00 0.00 N ATOM 681 CA MET C 45 60.512 11.867 -1.729 1.00 0.00 C ATOM 682 C MET C 45 60.189 13.114 -2.555 1.00 0.00 C ATOM 683 O MET C 45 59.192 13.775 -2.335 1.00 0.00 O ATOM 684 CB MET C 45 61.708 12.112 -0.809 1.00 0.00 C ATOM 685 CG MET C 45 62.017 10.833 -0.022 1.00 0.00 C ATOM 686 SD MET C 45 60.506 10.220 0.764 1.00 0.00 S ATOM 687 CE MET C 45 60.074 8.996 -0.501 1.00 0.00 C ATOM 0 H MET C 45 61.758 10.239 -2.328 1.00 0.00 H new ATOM 0 HA MET C 45 59.616 11.623 -1.159 1.00 0.00 H new ATOM 0 HB2 MET C 45 62.577 12.410 -1.396 1.00 0.00 H new ATOM 0 HB3 MET C 45 61.491 12.931 -0.123 1.00 0.00 H new ATOM 0 HG2 MET C 45 62.425 10.074 -0.689 1.00 0.00 H new ATOM 0 HG3 MET C 45 62.776 11.034 0.734 1.00 0.00 H new ATOM 0 HE1 MET C 45 59.463 8.211 -0.054 1.00 0.00 H new ATOM 0 HE2 MET C 45 59.514 9.481 -1.300 1.00 0.00 H new ATOM 0 HE3 MET C 45 60.985 8.559 -0.910 1.00 0.00 H new ATOM 697 N ARG C 46 61.016 13.432 -3.512 1.00 0.00 N ATOM 698 CA ARG C 46 60.749 14.626 -4.362 1.00 0.00 C ATOM 699 C ARG C 46 59.694 14.284 -5.418 1.00 0.00 C ATOM 700 O ARG C 46 58.953 15.135 -5.870 1.00 0.00 O ATOM 701 CB ARG C 46 62.087 14.947 -5.027 1.00 0.00 C ATOM 702 CG ARG C 46 62.506 16.372 -4.666 1.00 0.00 C ATOM 703 CD ARG C 46 62.994 17.095 -5.924 1.00 0.00 C ATOM 704 NE ARG C 46 64.002 16.177 -6.526 1.00 0.00 N ATOM 705 CZ ARG C 46 64.745 16.587 -7.518 1.00 0.00 C ATOM 706 NH1 ARG C 46 64.257 16.629 -8.728 1.00 0.00 N ATOM 707 NH2 ARG C 46 65.979 16.954 -7.299 1.00 0.00 N ATOM 0 H ARG C 46 61.865 12.916 -3.742 1.00 0.00 H new ATOM 0 HA ARG C 46 60.370 15.471 -3.787 1.00 0.00 H new ATOM 0 HB2 ARG C 46 62.848 14.239 -4.699 1.00 0.00 H new ATOM 0 HB3 ARG C 46 62.002 14.845 -6.109 1.00 0.00 H new ATOM 0 HG2 ARG C 46 61.665 16.910 -4.228 1.00 0.00 H new ATOM 0 HG3 ARG C 46 63.297 16.351 -3.916 1.00 0.00 H new ATOM 0 HD2 ARG C 46 62.172 17.286 -6.614 1.00 0.00 H new ATOM 0 HD3 ARG C 46 63.436 18.061 -5.679 1.00 0.00 H new ATOM 0 HE ARG C 46 64.111 15.230 -6.163 1.00 0.00 H new ATOM 0 HH11 ARG C 46 63.294 16.341 -8.900 1.00 0.00 H new ATOM 0 HH12 ARG C 46 64.839 16.950 -9.502 1.00 0.00 H new ATOM 0 HH21 ARG C 46 66.361 16.920 -6.354 1.00 0.00 H new ATOM 0 HH22 ARG C 46 66.561 17.275 -8.073 1.00 0.00 H new ATOM 721 N MET C 47 59.622 13.041 -5.810 1.00 0.00 N ATOM 722 CA MET C 47 58.616 12.636 -6.833 1.00 0.00 C ATOM 723 C MET C 47 57.206 12.721 -6.246 1.00 0.00 C ATOM 724 O MET C 47 56.245 12.972 -6.945 1.00 0.00 O ATOM 725 CB MET C 47 58.963 11.188 -7.179 1.00 0.00 C ATOM 726 CG MET C 47 60.326 11.135 -7.870 1.00 0.00 C ATOM 727 SD MET C 47 60.092 10.829 -9.639 1.00 0.00 S ATOM 728 CE MET C 47 59.532 9.113 -9.502 1.00 0.00 C ATOM 0 H MET C 47 60.217 12.288 -5.466 1.00 0.00 H new ATOM 0 HA MET C 47 58.637 13.281 -7.711 1.00 0.00 H new ATOM 0 HB2 MET C 47 58.980 10.582 -6.273 1.00 0.00 H new ATOM 0 HB3 MET C 47 58.198 10.766 -7.831 1.00 0.00 H new ATOM 0 HG2 MET C 47 60.859 12.074 -7.720 1.00 0.00 H new ATOM 0 HG3 MET C 47 60.938 10.347 -7.431 1.00 0.00 H new ATOM 0 HE1 MET C 47 59.856 8.553 -10.380 1.00 0.00 H new ATOM 0 HE2 MET C 47 59.958 8.662 -8.606 1.00 0.00 H new ATOM 0 HE3 MET C 47 58.444 9.089 -9.438 1.00 0.00 H new ATOM 738 N LEU C 48 57.074 12.513 -4.963 1.00 0.00 N ATOM 739 CA LEU C 48 55.725 12.583 -4.335 1.00 0.00 C ATOM 740 C LEU C 48 55.366 14.043 -4.048 1.00 0.00 C ATOM 741 O LEU C 48 54.217 14.435 -4.101 1.00 0.00 O ATOM 742 CB LEU C 48 55.834 11.800 -3.021 1.00 0.00 C ATOM 743 CG LEU C 48 56.586 10.480 -3.235 1.00 0.00 C ATOM 744 CD1 LEU C 48 57.338 10.117 -1.956 1.00 0.00 C ATOM 745 CD2 LEU C 48 55.590 9.368 -3.561 1.00 0.00 C ATOM 0 H LEU C 48 57.840 12.298 -4.325 1.00 0.00 H new ATOM 0 HA LEU C 48 54.952 12.170 -4.984 1.00 0.00 H new ATOM 0 HB2 LEU C 48 56.353 12.403 -2.275 1.00 0.00 H new ATOM 0 HB3 LEU C 48 54.837 11.597 -2.630 1.00 0.00 H new ATOM 0 HG LEU C 48 57.289 10.594 -4.061 1.00 0.00 H new ATOM 0 HD11 LEU C 48 57.874 9.179 -2.103 1.00 0.00 H new ATOM 0 HD12 LEU C 48 58.049 10.908 -1.715 1.00 0.00 H new ATOM 0 HD13 LEU C 48 56.628 10.005 -1.136 1.00 0.00 H new ATOM 0 HD21 LEU C 48 56.127 8.432 -3.713 1.00 0.00 H new ATOM 0 HD22 LEU C 48 54.888 9.254 -2.735 1.00 0.00 H new ATOM 0 HD23 LEU C 48 55.043 9.624 -4.469 1.00 0.00 H new ATOM 757 N GLY C 49 56.346 14.848 -3.738 1.00 0.00 N ATOM 758 CA GLY C 49 56.071 16.282 -3.440 1.00 0.00 C ATOM 759 C GLY C 49 56.582 16.617 -2.037 1.00 0.00 C ATOM 760 O GLY C 49 56.075 17.500 -1.375 1.00 0.00 O ATOM 0 H GLY C 49 57.327 14.574 -3.678 1.00 0.00 H new ATOM 0 HA2 GLY C 49 56.559 16.918 -4.178 1.00 0.00 H new ATOM 0 HA3 GLY C 49 55.001 16.480 -3.506 1.00 0.00 H new ATOM 764 N GLN C 50 57.585 15.917 -1.578 1.00 0.00 N ATOM 765 CA GLN C 50 58.128 16.191 -0.216 1.00 0.00 C ATOM 766 C GLN C 50 59.654 16.055 -0.220 1.00 0.00 C ATOM 767 O GLN C 50 60.276 15.979 -1.261 1.00 0.00 O ATOM 768 CB GLN C 50 57.498 15.125 0.681 1.00 0.00 C ATOM 769 CG GLN C 50 56.314 15.730 1.438 1.00 0.00 C ATOM 770 CD GLN C 50 55.822 14.735 2.491 1.00 0.00 C ATOM 771 OE1 GLN C 50 55.582 15.102 3.624 1.00 0.00 O ATOM 772 NE2 GLN C 50 55.660 13.483 2.162 1.00 0.00 N ATOM 0 H GLN C 50 58.052 15.167 -2.088 1.00 0.00 H new ATOM 0 HA GLN C 50 57.899 17.200 0.126 1.00 0.00 H new ATOM 0 HB2 GLN C 50 57.165 14.279 0.080 1.00 0.00 H new ATOM 0 HB3 GLN C 50 58.237 14.744 1.385 1.00 0.00 H new ATOM 0 HG2 GLN C 50 56.612 16.664 1.915 1.00 0.00 H new ATOM 0 HG3 GLN C 50 55.509 15.970 0.744 1.00 0.00 H new ATOM 0 HE21 GLN C 50 55.862 13.175 1.211 1.00 0.00 H new ATOM 0 HE22 GLN C 50 55.332 12.812 2.856 1.00 0.00 H new ATOM 781 N ASN C 51 60.264 16.023 0.936 1.00 0.00 N ATOM 782 CA ASN C 51 61.750 15.891 0.989 1.00 0.00 C ATOM 783 C ASN C 51 62.230 15.829 2.442 1.00 0.00 C ATOM 784 O ASN C 51 62.412 16.848 3.079 1.00 0.00 O ATOM 785 CB ASN C 51 62.283 17.149 0.303 1.00 0.00 C ATOM 786 CG ASN C 51 63.813 17.106 0.269 1.00 0.00 C ATOM 787 OD1 ASN C 51 64.467 18.065 0.629 1.00 0.00 O ATOM 788 ND2 ASN C 51 64.417 16.027 -0.150 1.00 0.00 N ATOM 0 H ASN C 51 59.800 16.082 1.842 1.00 0.00 H new ATOM 0 HA ASN C 51 62.099 14.980 0.503 1.00 0.00 H new ATOM 0 HB2 ASN C 51 61.888 17.218 -0.711 1.00 0.00 H new ATOM 0 HB3 ASN C 51 61.946 18.037 0.837 1.00 0.00 H new ATOM 0 HD21 ASN C 51 65.436 15.990 -0.175 1.00 0.00 H new ATOM 0 HD22 ASN C 51 63.870 15.221 -0.453 1.00 0.00 H new ATOM 795 N PRO C 52 62.421 14.628 2.917 1.00 0.00 N ATOM 796 CA PRO C 52 62.889 14.424 4.308 1.00 0.00 C ATOM 797 C PRO C 52 64.374 14.781 4.427 1.00 0.00 C ATOM 798 O PRO C 52 65.100 14.785 3.454 1.00 0.00 O ATOM 799 CB PRO C 52 62.669 12.933 4.547 1.00 0.00 C ATOM 800 CG PRO C 52 62.695 12.313 3.185 1.00 0.00 C ATOM 801 CD PRO C 52 62.219 13.359 2.209 1.00 0.00 C ATOM 0 HA PRO C 52 62.365 15.048 5.032 1.00 0.00 H new ATOM 0 HB2 PRO C 52 63.449 12.517 5.185 1.00 0.00 H new ATOM 0 HB3 PRO C 52 61.717 12.750 5.046 1.00 0.00 H new ATOM 0 HG2 PRO C 52 63.702 11.981 2.933 1.00 0.00 H new ATOM 0 HG3 PRO C 52 62.052 11.434 3.150 1.00 0.00 H new ATOM 0 HD2 PRO C 52 62.788 13.326 1.280 1.00 0.00 H new ATOM 0 HD3 PRO C 52 61.171 13.212 1.946 1.00 0.00 H new ATOM 809 N THR C 53 64.829 15.079 5.613 1.00 0.00 N ATOM 810 CA THR C 53 66.266 15.433 5.791 1.00 0.00 C ATOM 811 C THR C 53 67.147 14.216 5.492 1.00 0.00 C ATOM 812 O THR C 53 66.654 13.114 5.350 1.00 0.00 O ATOM 813 CB THR C 53 66.390 15.842 7.260 1.00 0.00 C ATOM 814 OG1 THR C 53 65.469 15.089 8.037 1.00 0.00 O ATOM 815 CG2 THR C 53 66.081 17.332 7.403 1.00 0.00 C ATOM 0 H THR C 53 64.269 15.093 6.465 1.00 0.00 H new ATOM 0 HA THR C 53 66.587 16.229 5.119 1.00 0.00 H new ATOM 0 HB THR C 53 67.405 15.649 7.608 1.00 0.00 H new ATOM 0 HG1 THR C 53 65.547 15.348 8.979 1.00 0.00 H new ATOM 0 HG21 THR C 53 66.169 17.623 8.450 1.00 0.00 H new ATOM 0 HG22 THR C 53 66.787 17.909 6.805 1.00 0.00 H new ATOM 0 HG23 THR C 53 65.066 17.528 7.056 1.00 0.00 H new ATOM 823 N PRO C 54 68.427 14.458 5.406 1.00 0.00 N ATOM 824 CA PRO C 54 69.390 13.368 5.121 1.00 0.00 C ATOM 825 C PRO C 54 69.541 12.457 6.342 1.00 0.00 C ATOM 826 O PRO C 54 69.937 11.313 6.232 1.00 0.00 O ATOM 827 CB PRO C 54 70.693 14.107 4.831 1.00 0.00 C ATOM 828 CG PRO C 54 70.559 15.416 5.542 1.00 0.00 C ATOM 829 CD PRO C 54 69.091 15.756 5.566 1.00 0.00 C ATOM 0 HA PRO C 54 69.078 12.725 4.298 1.00 0.00 H new ATOM 0 HB2 PRO C 54 71.554 13.546 5.194 1.00 0.00 H new ATOM 0 HB3 PRO C 54 70.835 14.252 3.760 1.00 0.00 H new ATOM 0 HG2 PRO C 54 70.955 15.347 6.555 1.00 0.00 H new ATOM 0 HG3 PRO C 54 71.127 16.193 5.030 1.00 0.00 H new ATOM 0 HD2 PRO C 54 68.807 16.237 6.502 1.00 0.00 H new ATOM 0 HD3 PRO C 54 68.826 16.442 4.762 1.00 0.00 H new ATOM 837 N GLU C 55 69.223 12.955 7.505 1.00 0.00 N ATOM 838 CA GLU C 55 69.345 12.118 8.732 1.00 0.00 C ATOM 839 C GLU C 55 68.127 11.199 8.863 1.00 0.00 C ATOM 840 O GLU C 55 68.202 10.132 9.438 1.00 0.00 O ATOM 841 CB GLU C 55 69.392 13.116 9.888 1.00 0.00 C ATOM 842 CG GLU C 55 69.506 12.361 11.214 1.00 0.00 C ATOM 843 CD GLU C 55 70.976 12.044 11.495 1.00 0.00 C ATOM 844 OE1 GLU C 55 71.501 11.147 10.857 1.00 0.00 O ATOM 845 OE2 GLU C 55 71.551 12.703 12.346 1.00 0.00 O ATOM 0 H GLU C 55 68.884 13.905 7.659 1.00 0.00 H new ATOM 0 HA GLU C 55 70.227 11.478 8.712 1.00 0.00 H new ATOM 0 HB2 GLU C 55 70.241 13.789 9.767 1.00 0.00 H new ATOM 0 HB3 GLU C 55 68.494 13.733 9.886 1.00 0.00 H new ATOM 0 HG2 GLU C 55 69.091 12.961 12.024 1.00 0.00 H new ATOM 0 HG3 GLU C 55 68.926 11.439 11.171 1.00 0.00 H new ATOM 852 N GLU C 56 67.007 11.604 8.330 1.00 0.00 N ATOM 853 CA GLU C 56 65.786 10.753 8.422 1.00 0.00 C ATOM 854 C GLU C 56 65.811 9.681 7.330 1.00 0.00 C ATOM 855 O GLU C 56 65.334 8.579 7.516 1.00 0.00 O ATOM 856 CB GLU C 56 64.616 11.712 8.206 1.00 0.00 C ATOM 857 CG GLU C 56 63.297 10.954 8.369 1.00 0.00 C ATOM 858 CD GLU C 56 62.424 11.662 9.408 1.00 0.00 C ATOM 859 OE1 GLU C 56 62.467 12.880 9.458 1.00 0.00 O ATOM 860 OE2 GLU C 56 61.730 10.973 10.137 1.00 0.00 O ATOM 0 H GLU C 56 66.884 12.487 7.835 1.00 0.00 H new ATOM 0 HA GLU C 56 65.713 10.234 9.378 1.00 0.00 H new ATOM 0 HB2 GLU C 56 64.667 12.532 8.922 1.00 0.00 H new ATOM 0 HB3 GLU C 56 64.673 12.154 7.211 1.00 0.00 H new ATOM 0 HG2 GLU C 56 62.774 10.903 7.414 1.00 0.00 H new ATOM 0 HG3 GLU C 56 63.492 9.928 8.681 1.00 0.00 H new ATOM 867 N LEU C 57 66.367 9.995 6.192 1.00 0.00 N ATOM 868 CA LEU C 57 66.425 8.996 5.087 1.00 0.00 C ATOM 869 C LEU C 57 66.966 7.663 5.612 1.00 0.00 C ATOM 870 O LEU C 57 66.296 6.650 5.574 1.00 0.00 O ATOM 871 CB LEU C 57 67.388 9.597 4.064 1.00 0.00 C ATOM 872 CG LEU C 57 66.693 9.731 2.705 1.00 0.00 C ATOM 873 CD1 LEU C 57 67.744 9.957 1.618 1.00 0.00 C ATOM 874 CD2 LEU C 57 65.910 8.452 2.391 1.00 0.00 C ATOM 0 H LEU C 57 66.784 10.901 5.979 1.00 0.00 H new ATOM 0 HA LEU C 57 65.444 8.796 4.656 1.00 0.00 H new ATOM 0 HB2 LEU C 57 67.730 10.574 4.405 1.00 0.00 H new ATOM 0 HB3 LEU C 57 68.271 8.966 3.969 1.00 0.00 H new ATOM 0 HG LEU C 57 66.005 10.576 2.737 1.00 0.00 H new ATOM 0 HD11 LEU C 57 67.252 10.053 0.650 1.00 0.00 H new ATOM 0 HD12 LEU C 57 68.300 10.869 1.834 1.00 0.00 H new ATOM 0 HD13 LEU C 57 68.430 9.111 1.594 1.00 0.00 H new ATOM 0 HD21 LEU C 57 65.419 8.555 1.423 1.00 0.00 H new ATOM 0 HD22 LEU C 57 66.594 7.604 2.362 1.00 0.00 H new ATOM 0 HD23 LEU C 57 65.159 8.286 3.164 1.00 0.00 H new ATOM 886 N GLN C 58 68.178 7.657 6.101 1.00 0.00 N ATOM 887 CA GLN C 58 68.768 6.393 6.628 1.00 0.00 C ATOM 888 C GLN C 58 67.742 5.637 7.478 1.00 0.00 C ATOM 889 O GLN C 58 67.735 4.424 7.524 1.00 0.00 O ATOM 890 CB GLN C 58 69.950 6.838 7.490 1.00 0.00 C ATOM 891 CG GLN C 58 71.174 5.979 7.166 1.00 0.00 C ATOM 892 CD GLN C 58 71.038 4.616 7.846 1.00 0.00 C ATOM 893 OE1 GLN C 58 70.644 4.532 8.993 1.00 0.00 O ATOM 894 NE2 GLN C 58 71.348 3.535 7.182 1.00 0.00 N ATOM 0 H GLN C 58 68.785 8.475 6.158 1.00 0.00 H new ATOM 0 HA GLN C 58 69.074 5.719 5.828 1.00 0.00 H new ATOM 0 HB2 GLN C 58 70.172 7.889 7.306 1.00 0.00 H new ATOM 0 HB3 GLN C 58 69.698 6.746 8.546 1.00 0.00 H new ATOM 0 HG2 GLN C 58 71.266 5.851 6.087 1.00 0.00 H new ATOM 0 HG3 GLN C 58 72.081 6.478 7.506 1.00 0.00 H new ATOM 0 HE21 GLN C 58 71.679 3.605 6.220 1.00 0.00 H new ATOM 0 HE22 GLN C 58 71.259 2.621 7.626 1.00 0.00 H new ATOM 903 N GLU C 59 66.878 6.345 8.153 1.00 0.00 N ATOM 904 CA GLU C 59 65.858 5.662 8.999 1.00 0.00 C ATOM 905 C GLU C 59 65.119 4.597 8.184 1.00 0.00 C ATOM 906 O GLU C 59 64.994 3.461 8.597 1.00 0.00 O ATOM 907 CB GLU C 59 64.895 6.766 9.436 1.00 0.00 C ATOM 908 CG GLU C 59 64.186 6.343 10.724 1.00 0.00 C ATOM 909 CD GLU C 59 62.890 7.140 10.881 1.00 0.00 C ATOM 910 OE1 GLU C 59 61.942 6.836 10.176 1.00 0.00 O ATOM 911 OE2 GLU C 59 62.868 8.042 11.702 1.00 0.00 O ATOM 0 H GLU C 59 66.834 7.364 8.156 1.00 0.00 H new ATOM 0 HA GLU C 59 66.307 5.154 9.852 1.00 0.00 H new ATOM 0 HB2 GLU C 59 65.440 7.696 9.597 1.00 0.00 H new ATOM 0 HB3 GLU C 59 64.163 6.957 8.651 1.00 0.00 H new ATOM 0 HG2 GLU C 59 63.967 5.275 10.697 1.00 0.00 H new ATOM 0 HG3 GLU C 59 64.836 6.514 11.582 1.00 0.00 H new ATOM 918 N MET C 60 64.629 4.955 7.028 1.00 0.00 N ATOM 919 CA MET C 60 63.899 3.961 6.191 1.00 0.00 C ATOM 920 C MET C 60 64.777 2.731 5.949 1.00 0.00 C ATOM 921 O MET C 60 64.290 1.646 5.701 1.00 0.00 O ATOM 922 CB MET C 60 63.613 4.684 4.875 1.00 0.00 C ATOM 923 CG MET C 60 62.159 5.160 4.860 1.00 0.00 C ATOM 924 SD MET C 60 62.110 6.955 5.077 1.00 0.00 S ATOM 925 CE MET C 60 62.305 7.397 3.333 1.00 0.00 C ATOM 0 H MET C 60 64.702 5.890 6.628 1.00 0.00 H new ATOM 0 HA MET C 60 62.984 3.610 6.669 1.00 0.00 H new ATOM 0 HB2 MET C 60 64.286 5.534 4.761 1.00 0.00 H new ATOM 0 HB3 MET C 60 63.797 4.016 4.033 1.00 0.00 H new ATOM 0 HG2 MET C 60 61.684 4.884 3.918 1.00 0.00 H new ATOM 0 HG3 MET C 60 61.597 4.671 5.656 1.00 0.00 H new ATOM 0 HE1 MET C 60 62.338 8.482 3.234 1.00 0.00 H new ATOM 0 HE2 MET C 60 63.232 6.969 2.951 1.00 0.00 H new ATOM 0 HE3 MET C 60 61.463 7.006 2.762 1.00 0.00 H new ATOM 935 N ILE C 61 66.070 2.892 6.021 1.00 0.00 N ATOM 936 CA ILE C 61 66.981 1.732 5.798 1.00 0.00 C ATOM 937 C ILE C 61 67.092 0.897 7.075 1.00 0.00 C ATOM 938 O ILE C 61 66.721 -0.260 7.105 1.00 0.00 O ATOM 939 CB ILE C 61 68.333 2.356 5.448 1.00 0.00 C ATOM 940 CG1 ILE C 61 68.136 3.435 4.389 1.00 0.00 C ATOM 941 CG2 ILE C 61 69.273 1.278 4.906 1.00 0.00 C ATOM 942 CD1 ILE C 61 67.337 2.844 3.241 1.00 0.00 C ATOM 0 H ILE C 61 66.536 3.776 6.225 1.00 0.00 H new ATOM 0 HA ILE C 61 66.622 1.067 5.013 1.00 0.00 H new ATOM 0 HB ILE C 61 68.768 2.798 6.344 1.00 0.00 H new ATOM 0 HG12 ILE C 61 67.612 4.291 4.814 1.00 0.00 H new ATOM 0 HG13 ILE C 61 69.101 3.796 4.033 1.00 0.00 H new ATOM 0 HG21 ILE C 61 70.235 1.726 4.658 1.00 0.00 H new ATOM 0 HG22 ILE C 61 69.416 0.506 5.662 1.00 0.00 H new ATOM 0 HG23 ILE C 61 68.838 0.833 4.011 1.00 0.00 H new ATOM 0 HD11 ILE C 61 67.187 3.603 2.474 1.00 0.00 H new ATOM 0 HD12 ILE C 61 67.881 2.001 2.815 1.00 0.00 H new ATOM 0 HD13 ILE C 61 66.369 2.503 3.609 1.00 0.00 H new ATOM 954 N ASP C 62 67.599 1.474 8.129 1.00 0.00 N ATOM 955 CA ASP C 62 67.733 0.713 9.405 1.00 0.00 C ATOM 956 C ASP C 62 66.399 0.054 9.771 1.00 0.00 C ATOM 957 O ASP C 62 66.360 -1.026 10.325 1.00 0.00 O ATOM 958 CB ASP C 62 68.115 1.762 10.450 1.00 0.00 C ATOM 959 CG ASP C 62 69.251 1.224 11.324 1.00 0.00 C ATOM 960 OD1 ASP C 62 70.386 1.274 10.882 1.00 0.00 O ATOM 961 OD2 ASP C 62 68.965 0.773 12.421 1.00 0.00 O ATOM 0 H ASP C 62 67.927 2.439 8.163 1.00 0.00 H new ATOM 0 HA ASP C 62 68.473 -0.084 9.335 1.00 0.00 H new ATOM 0 HB2 ASP C 62 68.426 2.684 9.958 1.00 0.00 H new ATOM 0 HB3 ASP C 62 67.251 2.006 11.068 1.00 0.00 H new ATOM 966 N GLU C 63 65.305 0.697 9.463 1.00 0.00 N ATOM 967 CA GLU C 63 63.975 0.107 9.792 1.00 0.00 C ATOM 968 C GLU C 63 63.940 -1.370 9.388 1.00 0.00 C ATOM 969 O GLU C 63 63.295 -2.182 10.022 1.00 0.00 O ATOM 970 CB GLU C 63 62.969 0.915 8.971 1.00 0.00 C ATOM 971 CG GLU C 63 61.652 1.027 9.743 1.00 0.00 C ATOM 972 CD GLU C 63 61.147 2.471 9.688 1.00 0.00 C ATOM 973 OE1 GLU C 63 61.404 3.131 8.694 1.00 0.00 O ATOM 974 OE2 GLU C 63 60.514 2.893 10.641 1.00 0.00 O ATOM 0 H GLU C 63 65.274 1.604 8.998 1.00 0.00 H new ATOM 0 HA GLU C 63 63.755 0.149 10.859 1.00 0.00 H new ATOM 0 HB2 GLU C 63 63.367 1.908 8.764 1.00 0.00 H new ATOM 0 HB3 GLU C 63 62.799 0.433 8.008 1.00 0.00 H new ATOM 0 HG2 GLU C 63 60.909 0.354 9.314 1.00 0.00 H new ATOM 0 HG3 GLU C 63 61.799 0.721 10.779 1.00 0.00 H new ATOM 981 N VAL C 64 64.629 -1.723 8.337 1.00 0.00 N ATOM 982 CA VAL C 64 64.634 -3.148 7.892 1.00 0.00 C ATOM 983 C VAL C 64 66.058 -3.586 7.539 1.00 0.00 C ATOM 984 O VAL C 64 66.265 -4.423 6.683 1.00 0.00 O ATOM 985 CB VAL C 64 63.738 -3.182 6.653 1.00 0.00 C ATOM 986 CG1 VAL C 64 62.273 -3.102 7.082 1.00 0.00 C ATOM 987 CG2 VAL C 64 64.070 -1.993 5.748 1.00 0.00 C ATOM 0 H VAL C 64 65.188 -1.088 7.767 1.00 0.00 H new ATOM 0 HA VAL C 64 64.277 -3.824 8.669 1.00 0.00 H new ATOM 0 HB VAL C 64 63.908 -4.111 6.108 1.00 0.00 H new ATOM 0 HG11 VAL C 64 61.634 -3.126 6.200 1.00 0.00 H new ATOM 0 HG12 VAL C 64 62.036 -3.949 7.725 1.00 0.00 H new ATOM 0 HG13 VAL C 64 62.104 -2.174 7.627 1.00 0.00 H new ATOM 0 HG21 VAL C 64 63.431 -2.018 4.865 1.00 0.00 H new ATOM 0 HG22 VAL C 64 63.901 -1.064 6.292 1.00 0.00 H new ATOM 0 HG23 VAL C 64 65.114 -2.050 5.442 1.00 0.00 H new ATOM 997 N ASP C 65 67.039 -3.027 8.191 1.00 0.00 N ATOM 998 CA ASP C 65 68.448 -3.411 7.891 1.00 0.00 C ATOM 999 C ASP C 65 68.966 -4.395 8.943 1.00 0.00 C ATOM 1000 O ASP C 65 69.166 -4.045 10.090 1.00 0.00 O ATOM 1001 CB ASP C 65 69.236 -2.104 7.945 1.00 0.00 C ATOM 1002 CG ASP C 65 70.291 -2.101 6.838 1.00 0.00 C ATOM 1003 OD1 ASP C 65 71.269 -2.818 6.978 1.00 0.00 O ATOM 1004 OD2 ASP C 65 70.104 -1.384 5.869 1.00 0.00 O ATOM 0 H ASP C 65 66.927 -2.321 8.919 1.00 0.00 H new ATOM 0 HA ASP C 65 68.543 -3.904 6.923 1.00 0.00 H new ATOM 0 HB2 ASP C 65 68.563 -1.255 7.823 1.00 0.00 H new ATOM 0 HB3 ASP C 65 69.714 -1.995 8.918 1.00 0.00 H new ATOM 1009 N GLU C 66 69.188 -5.623 8.563 1.00 0.00 N ATOM 1010 CA GLU C 66 69.696 -6.627 9.541 1.00 0.00 C ATOM 1011 C GLU C 66 70.955 -7.306 8.995 1.00 0.00 C ATOM 1012 O GLU C 66 71.206 -8.467 9.250 1.00 0.00 O ATOM 1013 CB GLU C 66 68.561 -7.641 9.695 1.00 0.00 C ATOM 1014 CG GLU C 66 68.281 -8.304 8.344 1.00 0.00 C ATOM 1015 CD GLU C 66 66.774 -8.314 8.083 1.00 0.00 C ATOM 1016 OE1 GLU C 66 66.267 -7.309 7.611 1.00 0.00 O ATOM 1017 OE2 GLU C 66 66.151 -9.327 8.358 1.00 0.00 O ATOM 0 H GLU C 66 69.040 -5.975 7.617 1.00 0.00 H new ATOM 0 HA GLU C 66 69.968 -6.174 10.494 1.00 0.00 H new ATOM 0 HB2 GLU C 66 68.831 -8.396 10.433 1.00 0.00 H new ATOM 0 HB3 GLU C 66 67.663 -7.144 10.061 1.00 0.00 H new ATOM 0 HG2 GLU C 66 68.795 -7.764 7.549 1.00 0.00 H new ATOM 0 HG3 GLU C 66 68.668 -9.323 8.340 1.00 0.00 H new ATOM 1024 N ASP C 67 71.749 -6.589 8.246 1.00 0.00 N ATOM 1025 CA ASP C 67 72.992 -7.194 7.685 1.00 0.00 C ATOM 1026 C ASP C 67 74.138 -6.179 7.721 1.00 0.00 C ATOM 1027 O ASP C 67 75.193 -6.399 7.160 1.00 0.00 O ATOM 1028 CB ASP C 67 72.640 -7.558 6.242 1.00 0.00 C ATOM 1029 CG ASP C 67 72.112 -6.319 5.518 1.00 0.00 C ATOM 1030 OD1 ASP C 67 72.014 -5.283 6.154 1.00 0.00 O ATOM 1031 OD2 ASP C 67 71.816 -6.428 4.339 1.00 0.00 O ATOM 0 H ASP C 67 71.591 -5.612 7.999 1.00 0.00 H new ATOM 0 HA ASP C 67 73.322 -8.063 8.254 1.00 0.00 H new ATOM 0 HB2 ASP C 67 73.520 -7.945 5.728 1.00 0.00 H new ATOM 0 HB3 ASP C 67 71.889 -8.348 6.228 1.00 0.00 H new ATOM 1036 N GLY C 68 73.940 -5.069 8.379 1.00 0.00 N ATOM 1037 CA GLY C 68 75.018 -4.041 8.454 1.00 0.00 C ATOM 1038 C GLY C 68 75.427 -3.618 7.041 1.00 0.00 C ATOM 1039 O GLY C 68 76.592 -3.427 6.754 1.00 0.00 O ATOM 0 H GLY C 68 73.078 -4.829 8.868 1.00 0.00 H new ATOM 0 HA2 GLY C 68 74.669 -3.175 9.017 1.00 0.00 H new ATOM 0 HA3 GLY C 68 75.880 -4.442 8.988 1.00 0.00 H new ATOM 1043 N SER C 69 74.480 -3.468 6.157 1.00 0.00 N ATOM 1044 CA SER C 69 74.818 -3.054 4.766 1.00 0.00 C ATOM 1045 C SER C 69 74.353 -1.618 4.512 1.00 0.00 C ATOM 1046 O SER C 69 74.492 -1.094 3.424 1.00 0.00 O ATOM 1047 CB SER C 69 74.059 -4.030 3.868 1.00 0.00 C ATOM 1048 OG SER C 69 72.661 -3.819 4.022 1.00 0.00 O ATOM 0 H SER C 69 73.487 -3.614 6.337 1.00 0.00 H new ATOM 0 HA SER C 69 75.891 -3.077 4.578 1.00 0.00 H new ATOM 0 HB2 SER C 69 74.348 -3.885 2.827 1.00 0.00 H new ATOM 0 HB3 SER C 69 74.315 -5.057 4.129 1.00 0.00 H new ATOM 0 HG SER C 69 72.332 -3.256 3.290 1.00 0.00 H new ATOM 1054 N GLY C 70 73.801 -0.978 5.506 1.00 0.00 N ATOM 1055 CA GLY C 70 73.329 0.424 5.317 1.00 0.00 C ATOM 1056 C GLY C 70 72.531 0.519 4.016 1.00 0.00 C ATOM 1057 O GLY C 70 72.441 1.566 3.406 1.00 0.00 O ATOM 0 H GLY C 70 73.656 -1.364 6.439 1.00 0.00 H new ATOM 0 HA2 GLY C 70 72.709 0.728 6.160 1.00 0.00 H new ATOM 0 HA3 GLY C 70 74.180 1.105 5.286 1.00 0.00 H new ATOM 1061 N THR C 71 71.952 -0.568 3.586 1.00 0.00 N ATOM 1062 CA THR C 71 71.160 -0.541 2.324 1.00 0.00 C ATOM 1063 C THR C 71 69.896 -1.389 2.472 1.00 0.00 C ATOM 1064 O THR C 71 69.593 -1.892 3.537 1.00 0.00 O ATOM 1065 CB THR C 71 72.087 -1.136 1.263 1.00 0.00 C ATOM 1066 OG1 THR C 71 72.816 -2.218 1.827 1.00 0.00 O ATOM 1067 CG2 THR C 71 73.060 -0.063 0.775 1.00 0.00 C ATOM 0 H THR C 71 71.993 -1.474 4.054 1.00 0.00 H new ATOM 0 HA THR C 71 70.834 0.466 2.062 1.00 0.00 H new ATOM 0 HB THR C 71 71.494 -1.496 0.422 1.00 0.00 H new ATOM 0 HG1 THR C 71 73.691 -1.899 2.131 1.00 0.00 H new ATOM 0 HG21 THR C 71 73.720 -0.487 0.019 1.00 0.00 H new ATOM 0 HG22 THR C 71 72.500 0.767 0.343 1.00 0.00 H new ATOM 0 HG23 THR C 71 73.654 0.298 1.614 1.00 0.00 H new ATOM 1075 N VAL C 72 69.152 -1.552 1.413 1.00 0.00 N ATOM 1076 CA VAL C 72 67.906 -2.365 1.495 1.00 0.00 C ATOM 1077 C VAL C 72 67.711 -3.167 0.204 1.00 0.00 C ATOM 1078 O VAL C 72 68.283 -2.860 -0.823 1.00 0.00 O ATOM 1079 CB VAL C 72 66.783 -1.344 1.671 1.00 0.00 C ATOM 1080 CG1 VAL C 72 65.431 -2.056 1.614 1.00 0.00 C ATOM 1081 CG2 VAL C 72 66.938 -0.649 3.026 1.00 0.00 C ATOM 0 H VAL C 72 69.353 -1.157 0.494 1.00 0.00 H new ATOM 0 HA VAL C 72 67.933 -3.086 2.312 1.00 0.00 H new ATOM 0 HB VAL C 72 66.835 -0.603 0.873 1.00 0.00 H new ATOM 0 HG11 VAL C 72 64.630 -1.327 1.740 1.00 0.00 H new ATOM 0 HG12 VAL C 72 65.322 -2.553 0.650 1.00 0.00 H new ATOM 0 HG13 VAL C 72 65.376 -2.797 2.412 1.00 0.00 H new ATOM 0 HG21 VAL C 72 66.138 0.080 3.155 1.00 0.00 H new ATOM 0 HG22 VAL C 72 66.885 -1.390 3.823 1.00 0.00 H new ATOM 0 HG23 VAL C 72 67.902 -0.141 3.066 1.00 0.00 H new ATOM 1091 N ASP C 73 66.907 -4.194 0.250 1.00 0.00 N ATOM 1092 CA ASP C 73 66.673 -5.017 -0.972 1.00 0.00 C ATOM 1093 C ASP C 73 65.255 -5.598 -0.949 1.00 0.00 C ATOM 1094 O ASP C 73 64.521 -5.423 0.003 1.00 0.00 O ATOM 1095 CB ASP C 73 67.712 -6.137 -0.897 1.00 0.00 C ATOM 1096 CG ASP C 73 67.473 -6.967 0.365 1.00 0.00 C ATOM 1097 OD1 ASP C 73 66.490 -6.712 1.042 1.00 0.00 O ATOM 1098 OD2 ASP C 73 68.276 -7.845 0.634 1.00 0.00 O ATOM 0 H ASP C 73 66.401 -4.499 1.081 1.00 0.00 H new ATOM 0 HA ASP C 73 66.766 -4.436 -1.889 1.00 0.00 H new ATOM 0 HB2 ASP C 73 67.644 -6.771 -1.781 1.00 0.00 H new ATOM 0 HB3 ASP C 73 68.717 -5.715 -0.884 1.00 0.00 H new ATOM 1103 N PHE C 74 64.863 -6.287 -1.986 1.00 0.00 N ATOM 1104 CA PHE C 74 63.493 -6.874 -2.010 1.00 0.00 C ATOM 1105 C PHE C 74 63.297 -7.796 -0.805 1.00 0.00 C ATOM 1106 O PHE C 74 62.189 -8.150 -0.454 1.00 0.00 O ATOM 1107 CB PHE C 74 63.417 -7.668 -3.315 1.00 0.00 C ATOM 1108 CG PHE C 74 61.977 -8.021 -3.603 1.00 0.00 C ATOM 1109 CD1 PHE C 74 61.175 -7.141 -4.339 1.00 0.00 C ATOM 1110 CD2 PHE C 74 61.443 -9.226 -3.130 1.00 0.00 C ATOM 1111 CE1 PHE C 74 59.840 -7.466 -4.603 1.00 0.00 C ATOM 1112 CE2 PHE C 74 60.107 -9.551 -3.394 1.00 0.00 C ATOM 1113 CZ PHE C 74 59.305 -8.671 -4.131 1.00 0.00 C ATOM 0 H PHE C 74 65.430 -6.468 -2.815 1.00 0.00 H new ATOM 0 HA PHE C 74 62.716 -6.111 -1.958 1.00 0.00 H new ATOM 0 HB2 PHE C 74 63.830 -7.081 -4.135 1.00 0.00 H new ATOM 0 HB3 PHE C 74 64.017 -8.575 -3.238 1.00 0.00 H new ATOM 0 HD1 PHE C 74 61.587 -6.211 -4.703 1.00 0.00 H new ATOM 0 HD2 PHE C 74 62.062 -9.905 -2.562 1.00 0.00 H new ATOM 0 HE1 PHE C 74 59.222 -6.787 -5.171 1.00 0.00 H new ATOM 0 HE2 PHE C 74 59.695 -10.480 -3.029 1.00 0.00 H new ATOM 0 HZ PHE C 74 58.274 -8.921 -4.335 1.00 0.00 H new ATOM 1123 N ASP C 75 64.366 -8.184 -0.163 1.00 0.00 N ATOM 1124 CA ASP C 75 64.237 -9.078 1.022 1.00 0.00 C ATOM 1125 C ASP C 75 63.862 -8.256 2.258 1.00 0.00 C ATOM 1126 O ASP C 75 62.974 -8.611 3.007 1.00 0.00 O ATOM 1127 CB ASP C 75 65.618 -9.710 1.199 1.00 0.00 C ATOM 1128 CG ASP C 75 65.503 -10.937 2.103 1.00 0.00 C ATOM 1129 OD1 ASP C 75 65.500 -10.761 3.311 1.00 0.00 O ATOM 1130 OD2 ASP C 75 65.416 -12.033 1.575 1.00 0.00 O ATOM 0 H ASP C 75 65.321 -7.921 -0.408 1.00 0.00 H new ATOM 0 HA ASP C 75 63.461 -9.832 0.889 1.00 0.00 H new ATOM 0 HB2 ASP C 75 66.026 -9.996 0.230 1.00 0.00 H new ATOM 0 HB3 ASP C 75 66.308 -8.987 1.635 1.00 0.00 H new ATOM 1135 N GLU C 76 64.533 -7.158 2.473 1.00 0.00 N ATOM 1136 CA GLU C 76 64.216 -6.309 3.657 1.00 0.00 C ATOM 1137 C GLU C 76 63.057 -5.364 3.328 1.00 0.00 C ATOM 1138 O GLU C 76 62.208 -5.097 4.155 1.00 0.00 O ATOM 1139 CB GLU C 76 65.494 -5.516 3.930 1.00 0.00 C ATOM 1140 CG GLU C 76 66.654 -6.485 4.169 1.00 0.00 C ATOM 1141 CD GLU C 76 67.970 -5.708 4.214 1.00 0.00 C ATOM 1142 OE1 GLU C 76 67.949 -4.528 3.904 1.00 0.00 O ATOM 1143 OE2 GLU C 76 68.977 -6.306 4.557 1.00 0.00 O ATOM 0 H GLU C 76 65.287 -6.812 1.880 1.00 0.00 H new ATOM 0 HA GLU C 76 63.912 -6.899 4.522 1.00 0.00 H new ATOM 0 HB2 GLU C 76 65.718 -4.865 3.085 1.00 0.00 H new ATOM 0 HB3 GLU C 76 65.357 -4.874 4.800 1.00 0.00 H new ATOM 0 HG2 GLU C 76 66.505 -7.022 5.105 1.00 0.00 H new ATOM 0 HG3 GLU C 76 66.687 -7.231 3.375 1.00 0.00 H new ATOM 1150 N PHE C 77 63.015 -4.858 2.125 1.00 0.00 N ATOM 1151 CA PHE C 77 61.909 -3.934 1.746 1.00 0.00 C ATOM 1152 C PHE C 77 60.557 -4.578 2.064 1.00 0.00 C ATOM 1153 O PHE C 77 59.658 -3.940 2.573 1.00 0.00 O ATOM 1154 CB PHE C 77 62.062 -3.725 0.238 1.00 0.00 C ATOM 1155 CG PHE C 77 60.975 -2.803 -0.257 1.00 0.00 C ATOM 1156 CD1 PHE C 77 60.951 -1.465 0.153 1.00 0.00 C ATOM 1157 CD2 PHE C 77 59.988 -3.287 -1.125 1.00 0.00 C ATOM 1158 CE1 PHE C 77 59.941 -0.610 -0.305 1.00 0.00 C ATOM 1159 CE2 PHE C 77 58.978 -2.431 -1.582 1.00 0.00 C ATOM 1160 CZ PHE C 77 58.955 -1.093 -1.172 1.00 0.00 C ATOM 0 H PHE C 77 63.697 -5.044 1.390 1.00 0.00 H new ATOM 0 HA PHE C 77 61.952 -2.991 2.292 1.00 0.00 H new ATOM 0 HB2 PHE C 77 63.041 -3.301 0.017 1.00 0.00 H new ATOM 0 HB3 PHE C 77 62.005 -4.682 -0.280 1.00 0.00 H new ATOM 0 HD1 PHE C 77 61.712 -1.092 0.823 1.00 0.00 H new ATOM 0 HD2 PHE C 77 60.006 -4.319 -1.442 1.00 0.00 H new ATOM 0 HE1 PHE C 77 59.923 0.423 0.011 1.00 0.00 H new ATOM 0 HE2 PHE C 77 58.217 -2.804 -2.251 1.00 0.00 H new ATOM 0 HZ PHE C 77 58.176 -0.433 -1.525 1.00 0.00 H new ATOM 1170 N LEU C 78 60.409 -5.841 1.768 1.00 0.00 N ATOM 1171 CA LEU C 78 59.117 -6.529 2.053 1.00 0.00 C ATOM 1172 C LEU C 78 58.828 -6.509 3.557 1.00 0.00 C ATOM 1173 O LEU C 78 57.703 -6.673 3.985 1.00 0.00 O ATOM 1174 CB LEU C 78 59.313 -7.964 1.561 1.00 0.00 C ATOM 1175 CG LEU C 78 58.733 -8.101 0.152 1.00 0.00 C ATOM 1176 CD1 LEU C 78 59.005 -9.510 -0.380 1.00 0.00 C ATOM 1177 CD2 LEU C 78 57.223 -7.857 0.200 1.00 0.00 C ATOM 0 H LEU C 78 61.127 -6.426 1.341 1.00 0.00 H new ATOM 0 HA LEU C 78 58.274 -6.044 1.562 1.00 0.00 H new ATOM 0 HB2 LEU C 78 60.373 -8.217 1.556 1.00 0.00 H new ATOM 0 HB3 LEU C 78 58.822 -8.663 2.238 1.00 0.00 H new ATOM 0 HG LEU C 78 59.201 -7.369 -0.507 1.00 0.00 H new ATOM 0 HD11 LEU C 78 58.591 -9.606 -1.384 1.00 0.00 H new ATOM 0 HD12 LEU C 78 60.080 -9.685 -0.412 1.00 0.00 H new ATOM 0 HD13 LEU C 78 58.537 -10.243 0.277 1.00 0.00 H new ATOM 0 HD21 LEU C 78 56.807 -7.954 -0.803 1.00 0.00 H new ATOM 0 HD22 LEU C 78 56.757 -8.590 0.859 1.00 0.00 H new ATOM 0 HD23 LEU C 78 57.028 -6.853 0.578 1.00 0.00 H new ATOM 1189 N VAL C 79 59.836 -6.308 4.362 1.00 0.00 N ATOM 1190 CA VAL C 79 59.617 -6.274 5.838 1.00 0.00 C ATOM 1191 C VAL C 79 59.211 -4.865 6.274 1.00 0.00 C ATOM 1192 O VAL C 79 58.493 -4.685 7.238 1.00 0.00 O ATOM 1193 CB VAL C 79 60.965 -6.661 6.446 1.00 0.00 C ATOM 1194 CG1 VAL C 79 60.865 -6.636 7.972 1.00 0.00 C ATOM 1195 CG2 VAL C 79 61.345 -8.070 5.985 1.00 0.00 C ATOM 0 H VAL C 79 60.801 -6.166 4.063 1.00 0.00 H new ATOM 0 HA VAL C 79 58.821 -6.947 6.157 1.00 0.00 H new ATOM 0 HB VAL C 79 61.726 -5.952 6.121 1.00 0.00 H new ATOM 0 HG11 VAL C 79 61.827 -6.912 8.404 1.00 0.00 H new ATOM 0 HG12 VAL C 79 60.593 -5.634 8.302 1.00 0.00 H new ATOM 0 HG13 VAL C 79 60.104 -7.345 8.298 1.00 0.00 H new ATOM 0 HG21 VAL C 79 62.306 -8.348 6.418 1.00 0.00 H new ATOM 0 HG22 VAL C 79 60.582 -8.777 6.311 1.00 0.00 H new ATOM 0 HG23 VAL C 79 61.417 -8.090 4.898 1.00 0.00 H new ATOM 1205 N MET C 80 59.660 -3.865 5.567 1.00 0.00 N ATOM 1206 CA MET C 80 59.294 -2.469 5.936 1.00 0.00 C ATOM 1207 C MET C 80 57.818 -2.221 5.620 1.00 0.00 C ATOM 1208 O MET C 80 57.181 -1.365 6.202 1.00 0.00 O ATOM 1209 CB MET C 80 60.187 -1.581 5.068 1.00 0.00 C ATOM 1210 CG MET C 80 60.168 -0.152 5.614 1.00 0.00 C ATOM 1211 SD MET C 80 61.463 0.819 4.802 1.00 0.00 S ATOM 1212 CE MET C 80 60.839 0.663 3.110 1.00 0.00 C ATOM 0 H MET C 80 60.264 -3.954 4.750 1.00 0.00 H new ATOM 0 HA MET C 80 59.435 -2.267 6.998 1.00 0.00 H new ATOM 0 HB2 MET C 80 61.207 -1.966 5.063 1.00 0.00 H new ATOM 0 HB3 MET C 80 59.837 -1.592 4.036 1.00 0.00 H new ATOM 0 HG2 MET C 80 59.193 0.303 5.439 1.00 0.00 H new ATOM 0 HG3 MET C 80 60.327 -0.161 6.692 1.00 0.00 H new ATOM 0 HE1 MET C 80 61.233 1.476 2.501 1.00 0.00 H new ATOM 0 HE2 MET C 80 61.158 -0.291 2.691 1.00 0.00 H new ATOM 0 HE3 MET C 80 59.750 0.710 3.118 1.00 0.00 H new ATOM 1222 N MET C 81 57.270 -2.969 4.702 1.00 0.00 N ATOM 1223 CA MET C 81 55.836 -2.783 4.343 1.00 0.00 C ATOM 1224 C MET C 81 54.939 -3.453 5.387 1.00 0.00 C ATOM 1225 O MET C 81 53.769 -3.146 5.504 1.00 0.00 O ATOM 1226 CB MET C 81 55.677 -3.465 2.984 1.00 0.00 C ATOM 1227 CG MET C 81 56.294 -2.586 1.894 1.00 0.00 C ATOM 1228 SD MET C 81 55.001 -1.570 1.136 1.00 0.00 S ATOM 1229 CE MET C 81 56.077 -0.247 0.532 1.00 0.00 C ATOM 0 H MET C 81 57.755 -3.702 4.184 1.00 0.00 H new ATOM 0 HA MET C 81 55.552 -1.731 4.308 1.00 0.00 H new ATOM 0 HB2 MET C 81 56.162 -4.441 2.996 1.00 0.00 H new ATOM 0 HB3 MET C 81 54.621 -3.637 2.773 1.00 0.00 H new ATOM 0 HG2 MET C 81 57.069 -1.949 2.321 1.00 0.00 H new ATOM 0 HG3 MET C 81 56.773 -3.208 1.138 1.00 0.00 H new ATOM 0 HE1 MET C 81 55.714 0.713 0.898 1.00 0.00 H new ATOM 0 HE2 MET C 81 57.093 -0.412 0.891 1.00 0.00 H new ATOM 0 HE3 MET C 81 56.073 -0.244 -0.558 1.00 0.00 H new ATOM 1239 N VAL C 82 55.477 -4.367 6.149 1.00 0.00 N ATOM 1240 CA VAL C 82 54.654 -5.054 7.185 1.00 0.00 C ATOM 1241 C VAL C 82 54.513 -4.163 8.423 1.00 0.00 C ATOM 1242 O VAL C 82 53.434 -3.982 8.950 1.00 0.00 O ATOM 1243 CB VAL C 82 55.427 -6.327 7.527 1.00 0.00 C ATOM 1244 CG1 VAL C 82 54.587 -7.201 8.459 1.00 0.00 C ATOM 1245 CG2 VAL C 82 55.730 -7.100 6.241 1.00 0.00 C ATOM 0 H VAL C 82 56.450 -4.667 6.099 1.00 0.00 H new ATOM 0 HA VAL C 82 53.646 -5.273 6.833 1.00 0.00 H new ATOM 0 HB VAL C 82 56.361 -6.062 8.022 1.00 0.00 H new ATOM 0 HG11 VAL C 82 55.139 -8.109 8.702 1.00 0.00 H new ATOM 0 HG12 VAL C 82 54.370 -6.652 9.375 1.00 0.00 H new ATOM 0 HG13 VAL C 82 53.652 -7.466 7.965 1.00 0.00 H new ATOM 0 HG21 VAL C 82 56.281 -8.008 6.484 1.00 0.00 H new ATOM 0 HG22 VAL C 82 54.795 -7.364 5.747 1.00 0.00 H new ATOM 0 HG23 VAL C 82 56.329 -6.479 5.576 1.00 0.00 H new ATOM 1255 N ARG C 83 55.597 -3.608 8.889 1.00 0.00 N ATOM 1256 CA ARG C 83 55.530 -2.731 10.095 1.00 0.00 C ATOM 1257 C ARG C 83 54.485 -1.628 9.897 1.00 0.00 C ATOM 1258 O ARG C 83 53.914 -1.125 10.844 1.00 0.00 O ATOM 1259 CB ARG C 83 56.927 -2.123 10.220 1.00 0.00 C ATOM 1260 CG ARG C 83 57.929 -3.213 10.604 1.00 0.00 C ATOM 1261 CD ARG C 83 59.112 -2.583 11.341 1.00 0.00 C ATOM 1262 NE ARG C 83 59.273 -3.396 12.577 1.00 0.00 N ATOM 1263 CZ ARG C 83 60.306 -3.209 13.352 1.00 0.00 C ATOM 1264 NH1 ARG C 83 60.806 -2.011 13.493 1.00 0.00 N ATOM 1265 NH2 ARG C 83 60.840 -4.217 13.984 1.00 0.00 N ATOM 0 H ARG C 83 56.528 -3.723 8.488 1.00 0.00 H new ATOM 0 HA ARG C 83 55.241 -3.285 10.988 1.00 0.00 H new ATOM 0 HB2 ARG C 83 57.220 -1.662 9.277 1.00 0.00 H new ATOM 0 HB3 ARG C 83 56.925 -1.335 10.973 1.00 0.00 H new ATOM 0 HG2 ARG C 83 57.447 -3.958 11.238 1.00 0.00 H new ATOM 0 HG3 ARG C 83 58.278 -3.732 9.711 1.00 0.00 H new ATOM 0 HD2 ARG C 83 60.015 -2.608 10.732 1.00 0.00 H new ATOM 0 HD3 ARG C 83 58.917 -1.537 11.579 1.00 0.00 H new ATOM 0 HE ARG C 83 58.575 -4.100 12.819 1.00 0.00 H new ATOM 0 HH11 ARG C 83 60.389 -1.223 12.998 1.00 0.00 H new ATOM 0 HH12 ARG C 83 61.613 -1.863 14.099 1.00 0.00 H new ATOM 0 HH21 ARG C 83 60.450 -5.153 13.873 1.00 0.00 H new ATOM 0 HH22 ARG C 83 61.647 -4.069 14.589 1.00 0.00 H new ATOM 1279 N CYS C 84 54.232 -1.246 8.675 1.00 0.00 N ATOM 1280 CA CYS C 84 53.228 -0.172 8.420 1.00 0.00 C ATOM 1281 C CYS C 84 51.811 -0.750 8.444 1.00 0.00 C ATOM 1282 O CYS C 84 50.847 -0.045 8.671 1.00 0.00 O ATOM 1283 CB CYS C 84 53.566 0.360 7.028 1.00 0.00 C ATOM 1284 SG CYS C 84 53.637 2.169 7.072 1.00 0.00 S ATOM 0 H CYS C 84 54.677 -1.631 7.842 1.00 0.00 H new ATOM 0 HA CYS C 84 53.261 0.611 9.177 1.00 0.00 H new ATOM 0 HB2 CYS C 84 54.522 -0.044 6.695 1.00 0.00 H new ATOM 0 HB3 CYS C 84 52.814 0.033 6.310 1.00 0.00 H new ATOM 0 HG CYS C 84 54.130 2.611 5.953 1.00 0.00 H new ATOM 1290 N MET C 85 51.674 -2.025 8.207 1.00 0.00 N ATOM 1291 CA MET C 85 50.317 -2.643 8.212 1.00 0.00 C ATOM 1292 C MET C 85 49.578 -2.299 9.509 1.00 0.00 C ATOM 1293 O MET C 85 49.914 -2.782 10.572 1.00 0.00 O ATOM 1294 CB MET C 85 50.568 -4.149 8.123 1.00 0.00 C ATOM 1295 CG MET C 85 51.093 -4.498 6.730 1.00 0.00 C ATOM 1296 SD MET C 85 49.730 -4.440 5.540 1.00 0.00 S ATOM 1297 CE MET C 85 50.736 -4.200 4.054 1.00 0.00 C ATOM 0 H MET C 85 52.442 -2.666 8.010 1.00 0.00 H new ATOM 0 HA MET C 85 49.698 -2.281 7.391 1.00 0.00 H new ATOM 0 HB2 MET C 85 51.289 -4.454 8.882 1.00 0.00 H new ATOM 0 HB3 MET C 85 49.646 -4.694 8.323 1.00 0.00 H new ATOM 0 HG2 MET C 85 51.875 -3.797 6.438 1.00 0.00 H new ATOM 0 HG3 MET C 85 51.542 -5.491 6.737 1.00 0.00 H new ATOM 0 HE1 MET C 85 50.086 -4.136 3.181 1.00 0.00 H new ATOM 0 HE2 MET C 85 51.310 -3.278 4.148 1.00 0.00 H new ATOM 0 HE3 MET C 85 51.419 -5.042 3.937 1.00 0.00 H new ATOM 1411 N SER I 3 53.987 3.918 3.860 1.00 0.00 N ATOM 1412 CA SER I 3 52.712 3.163 3.686 1.00 0.00 C ATOM 1413 C SER I 3 52.448 2.893 2.199 1.00 0.00 C ATOM 1414 O SER I 3 52.983 1.964 1.627 1.00 0.00 O ATOM 1415 CB SER I 3 51.632 4.070 4.276 1.00 0.00 C ATOM 1416 OG SER I 3 51.614 5.301 3.567 1.00 0.00 O ATOM 0 HA SER I 3 52.737 2.190 4.178 1.00 0.00 H new ATOM 0 HB2 SER I 3 50.658 3.585 4.210 1.00 0.00 H new ATOM 0 HB3 SER I 3 51.829 4.249 5.333 1.00 0.00 H new ATOM 0 HG SER I 3 52.521 5.519 3.267 1.00 0.00 H new ATOM 1422 N ALA I 4 51.629 3.691 1.567 1.00 0.00 N ATOM 1423 CA ALA I 4 51.339 3.466 0.121 1.00 0.00 C ATOM 1424 C ALA I 4 50.445 4.585 -0.420 1.00 0.00 C ATOM 1425 O ALA I 4 50.686 5.129 -1.479 1.00 0.00 O ATOM 1426 CB ALA I 4 50.607 2.124 0.069 1.00 0.00 C ATOM 0 H ALA I 4 51.150 4.487 1.988 1.00 0.00 H new ATOM 0 HA ALA I 4 52.244 3.462 -0.486 1.00 0.00 H new ATOM 0 HB1 ALA I 4 50.358 1.885 -0.965 1.00 0.00 H new ATOM 0 HB2 ALA I 4 51.249 1.343 0.477 1.00 0.00 H new ATOM 0 HB3 ALA I 4 49.692 2.186 0.658 1.00 0.00 H new ATOM 1432 N ASP I 5 49.412 4.930 0.299 1.00 0.00 N ATOM 1433 CA ASP I 5 48.501 6.012 -0.173 1.00 0.00 C ATOM 1434 C ASP I 5 49.313 7.214 -0.661 1.00 0.00 C ATOM 1435 O ASP I 5 49.121 7.700 -1.758 1.00 0.00 O ATOM 1436 CB ASP I 5 47.670 6.391 1.054 1.00 0.00 C ATOM 1437 CG ASP I 5 46.834 5.189 1.495 1.00 0.00 C ATOM 1438 OD1 ASP I 5 46.112 4.657 0.667 1.00 0.00 O ATOM 1439 OD2 ASP I 5 46.929 4.819 2.655 1.00 0.00 O ATOM 0 H ASP I 5 49.159 4.509 1.193 1.00 0.00 H new ATOM 0 HA ASP I 5 47.877 5.691 -1.007 1.00 0.00 H new ATOM 0 HB2 ASP I 5 48.324 6.710 1.865 1.00 0.00 H new ATOM 0 HB3 ASP I 5 47.019 7.234 0.820 1.00 0.00 H new ATOM 1444 N ALA I 6 50.217 7.699 0.147 1.00 0.00 N ATOM 1445 CA ALA I 6 51.037 8.871 -0.270 1.00 0.00 C ATOM 1446 C ALA I 6 52.089 8.445 -1.300 1.00 0.00 C ATOM 1447 O ALA I 6 52.470 9.209 -2.164 1.00 0.00 O ATOM 1448 CB ALA I 6 51.710 9.360 1.014 1.00 0.00 C ATOM 0 H ALA I 6 50.422 7.334 1.077 1.00 0.00 H new ATOM 0 HA ALA I 6 50.435 9.650 -0.738 1.00 0.00 H new ATOM 0 HB1 ALA I 6 52.334 10.225 0.791 1.00 0.00 H new ATOM 0 HB2 ALA I 6 50.947 9.641 1.740 1.00 0.00 H new ATOM 0 HB3 ALA I 6 52.328 8.563 1.427 1.00 0.00 H new ATOM 1454 N MET I 7 52.561 7.230 -1.215 1.00 0.00 N ATOM 1455 CA MET I 7 53.588 6.759 -2.190 1.00 0.00 C ATOM 1456 C MET I 7 52.942 6.459 -3.546 1.00 0.00 C ATOM 1457 O MET I 7 53.390 6.928 -4.575 1.00 0.00 O ATOM 1458 CB MET I 7 54.160 5.478 -1.579 1.00 0.00 C ATOM 1459 CG MET I 7 55.627 5.700 -1.205 1.00 0.00 C ATOM 1460 SD MET I 7 56.551 6.238 -2.666 1.00 0.00 S ATOM 1461 CE MET I 7 56.728 4.611 -3.440 1.00 0.00 C ATOM 0 H MET I 7 52.281 6.544 -0.514 1.00 0.00 H new ATOM 0 HA MET I 7 54.358 7.510 -2.365 1.00 0.00 H new ATOM 0 HB2 MET I 7 53.587 5.197 -0.695 1.00 0.00 H new ATOM 0 HB3 MET I 7 54.075 4.655 -2.289 1.00 0.00 H new ATOM 0 HG2 MET I 7 55.703 6.450 -0.418 1.00 0.00 H new ATOM 0 HG3 MET I 7 56.056 4.779 -0.810 1.00 0.00 H new ATOM 0 HE1 MET I 7 57.669 4.570 -3.989 1.00 0.00 H new ATOM 0 HE2 MET I 7 56.723 3.839 -2.670 1.00 0.00 H new ATOM 0 HE3 MET I 7 55.899 4.443 -4.128 1.00 0.00 H new ATOM 1471 N MET I 8 51.896 5.679 -3.556 1.00 0.00 N ATOM 1472 CA MET I 8 51.224 5.346 -4.846 1.00 0.00 C ATOM 1473 C MET I 8 50.593 6.600 -5.457 1.00 0.00 C ATOM 1474 O MET I 8 50.849 6.945 -6.594 1.00 0.00 O ATOM 1475 CB MET I 8 50.143 4.331 -4.476 1.00 0.00 C ATOM 1476 CG MET I 8 50.739 2.923 -4.484 1.00 0.00 C ATOM 1477 SD MET I 8 51.930 2.765 -3.130 1.00 0.00 S ATOM 1478 CE MET I 8 53.410 3.176 -4.086 1.00 0.00 C ATOM 0 H MET I 8 51.477 5.257 -2.727 1.00 0.00 H new ATOM 0 HA MET I 8 51.922 4.951 -5.584 1.00 0.00 H new ATOM 0 HB2 MET I 8 49.737 4.560 -3.491 1.00 0.00 H new ATOM 0 HB3 MET I 8 49.316 4.391 -5.183 1.00 0.00 H new ATOM 0 HG2 MET I 8 49.948 2.181 -4.375 1.00 0.00 H new ATOM 0 HG3 MET I 8 51.229 2.729 -5.438 1.00 0.00 H new ATOM 0 HE1 MET I 8 54.298 2.969 -3.489 1.00 0.00 H new ATOM 0 HE2 MET I 8 53.435 2.574 -4.995 1.00 0.00 H new ATOM 0 HE3 MET I 8 53.390 4.233 -4.351 1.00 0.00 H new ATOM 1488 N GLN I 9 49.765 7.278 -4.714 1.00 0.00 N ATOM 1489 CA GLN I 9 49.109 8.504 -5.252 1.00 0.00 C ATOM 1490 C GLN I 9 50.161 9.538 -5.672 1.00 0.00 C ATOM 1491 O GLN I 9 50.048 10.165 -6.706 1.00 0.00 O ATOM 1492 CB GLN I 9 48.266 9.039 -4.094 1.00 0.00 C ATOM 1493 CG GLN I 9 47.369 10.172 -4.595 1.00 0.00 C ATOM 1494 CD GLN I 9 45.995 10.069 -3.930 1.00 0.00 C ATOM 1495 OE1 GLN I 9 44.993 9.926 -4.601 1.00 0.00 O ATOM 1496 NE2 GLN I 9 45.906 10.137 -2.630 1.00 0.00 N ATOM 0 H GLN I 9 49.513 7.037 -3.756 1.00 0.00 H new ATOM 0 HA GLN I 9 48.507 8.293 -6.136 1.00 0.00 H new ATOM 0 HB2 GLN I 9 47.658 8.238 -3.673 1.00 0.00 H new ATOM 0 HB3 GLN I 9 48.914 9.400 -3.295 1.00 0.00 H new ATOM 0 HG2 GLN I 9 47.823 11.137 -4.368 1.00 0.00 H new ATOM 0 HG3 GLN I 9 47.265 10.116 -5.679 1.00 0.00 H new ATOM 0 HE21 GLN I 9 46.748 10.257 -2.067 1.00 0.00 H new ATOM 0 HE22 GLN I 9 44.995 10.070 -2.177 1.00 0.00 H new ATOM 1505 N ALA I 10 51.176 9.728 -4.873 1.00 0.00 N ATOM 1506 CA ALA I 10 52.225 10.731 -5.226 1.00 0.00 C ATOM 1507 C ALA I 10 53.286 10.114 -6.144 1.00 0.00 C ATOM 1508 O ALA I 10 54.180 10.792 -6.610 1.00 0.00 O ATOM 1509 CB ALA I 10 52.847 11.140 -3.890 1.00 0.00 C ATOM 0 H ALA I 10 51.325 9.234 -3.993 1.00 0.00 H new ATOM 0 HA ALA I 10 51.807 11.581 -5.765 1.00 0.00 H new ATOM 0 HB1 ALA I 10 53.630 11.878 -4.064 1.00 0.00 H new ATOM 0 HB2 ALA I 10 52.079 11.571 -3.248 1.00 0.00 H new ATOM 0 HB3 ALA I 10 53.276 10.263 -3.405 1.00 0.00 H new ATOM 1515 N LEU I 11 53.204 8.837 -6.405 1.00 0.00 N ATOM 1516 CA LEU I 11 54.222 8.197 -7.291 1.00 0.00 C ATOM 1517 C LEU I 11 53.568 7.144 -8.192 1.00 0.00 C ATOM 1518 O LEU I 11 53.421 7.340 -9.381 1.00 0.00 O ATOM 1519 CB LEU I 11 55.223 7.544 -6.337 1.00 0.00 C ATOM 1520 CG LEU I 11 56.638 7.668 -6.906 1.00 0.00 C ATOM 1521 CD1 LEU I 11 57.310 8.921 -6.343 1.00 0.00 C ATOM 1522 CD2 LEU I 11 57.455 6.437 -6.511 1.00 0.00 C ATOM 0 H LEU I 11 52.482 8.212 -6.047 1.00 0.00 H new ATOM 0 HA LEU I 11 54.700 8.919 -7.953 1.00 0.00 H new ATOM 0 HB2 LEU I 11 55.171 8.022 -5.359 1.00 0.00 H new ATOM 0 HB3 LEU I 11 54.970 6.494 -6.193 1.00 0.00 H new ATOM 0 HG LEU I 11 56.585 7.740 -7.992 1.00 0.00 H new ATOM 0 HD11 LEU I 11 58.318 9.007 -6.750 1.00 0.00 H new ATOM 0 HD12 LEU I 11 56.730 9.801 -6.621 1.00 0.00 H new ATOM 0 HD13 LEU I 11 57.362 8.849 -5.257 1.00 0.00 H new ATOM 0 HD21 LEU I 11 58.463 6.524 -6.916 1.00 0.00 H new ATOM 0 HD22 LEU I 11 57.505 6.367 -5.424 1.00 0.00 H new ATOM 0 HD23 LEU I 11 56.980 5.541 -6.911 1.00 0.00 H new ATOM 1534 N LEU I 12 53.176 6.027 -7.639 1.00 0.00 N ATOM 1535 CA LEU I 12 52.539 4.970 -8.475 1.00 0.00 C ATOM 1536 C LEU I 12 51.025 4.957 -8.252 1.00 0.00 C ATOM 1537 O LEU I 12 50.541 4.513 -7.230 1.00 0.00 O ATOM 1538 CB LEU I 12 53.163 3.654 -8.003 1.00 0.00 C ATOM 1539 CG LEU I 12 54.665 3.640 -8.319 1.00 0.00 C ATOM 1540 CD1 LEU I 12 54.910 4.210 -9.719 1.00 0.00 C ATOM 1541 CD2 LEU I 12 55.410 4.490 -7.286 1.00 0.00 C ATOM 0 H LEU I 12 53.269 5.802 -6.648 1.00 0.00 H new ATOM 0 HA LEU I 12 52.701 5.137 -9.540 1.00 0.00 H new ATOM 0 HB2 LEU I 12 53.008 3.533 -6.931 1.00 0.00 H new ATOM 0 HB3 LEU I 12 52.672 2.813 -8.493 1.00 0.00 H new ATOM 0 HG LEU I 12 55.029 2.613 -8.282 1.00 0.00 H new ATOM 0 HD11 LEU I 12 55.978 4.197 -9.936 1.00 0.00 H new ATOM 0 HD12 LEU I 12 54.383 3.604 -10.456 1.00 0.00 H new ATOM 0 HD13 LEU I 12 54.544 5.236 -9.763 1.00 0.00 H new ATOM 0 HD21 LEU I 12 56.477 4.481 -7.509 1.00 0.00 H new ATOM 0 HD22 LEU I 12 55.040 5.515 -7.323 1.00 0.00 H new ATOM 0 HD23 LEU I 12 55.244 4.080 -6.290 1.00 0.00 H new