USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 607 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 SER OG : rot -104:sc= 1.24 USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.255 USER MOD Single : A 16 GLN : amide:sc= -0.152 K(o=-0.15,f=-1.8) USER MOD Single : A 17 LYS NZ :NH3+ -128:sc= 0.0757 (180deg=-1.83!) USER MOD Single : A 18 ASN : amide:sc= 0.00318 X(o=0.0032,f=-0.062) USER MOD Single : A 21 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0595) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0.388 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.764 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -168:sc= -1.89 (180deg=-2.09) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.625 K(o=-0.62,f=-1.5) USER MOD Single : A 53 THR OG1 : rot -170:sc= -1.39 USER MOD Single : A 58 GLN : amide:sc= -0.35 X(o=-0.35,f=-0.028) USER MOD Single : A 60 MET CE :methyl 170:sc=-0.00101 (180deg=-0.129) USER MOD Single : A 80 MET CE :methyl -167:sc= -1.15 (180deg=-1.47) USER MOD Single : A 81 MET CE :methyl -169:sc= -3.28 (180deg=-3.71) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N TYR A 5 6.746 -6.254 -6.493 1.00 75.33 N ATOM 62 CA TYR A 5 5.743 -6.017 -7.525 1.00 32.41 C ATOM 63 C TYR A 5 5.900 -4.625 -8.128 1.00 43.03 C ATOM 64 O TYR A 5 5.829 -4.450 -9.345 1.00 21.30 O ATOM 65 CB TYR A 5 4.336 -6.178 -6.945 1.00 64.02 C ATOM 66 CG TYR A 5 4.003 -7.599 -6.551 1.00 74.12 C ATOM 67 CD1 TYR A 5 4.356 -8.668 -7.365 1.00 72.03 C ATOM 68 CD2 TYR A 5 3.335 -7.873 -5.364 1.00 14.32 C ATOM 69 CE1 TYR A 5 4.052 -9.968 -7.009 1.00 50.24 C ATOM 70 CE2 TYR A 5 3.028 -9.169 -4.999 1.00 61.52 C ATOM 71 CZ TYR A 5 3.388 -10.213 -5.825 1.00 64.45 C ATOM 72 OH TYR A 5 3.085 -11.507 -5.467 1.00 2.12 O ATOM 0 HA TYR A 5 5.890 -6.754 -8.315 1.00 32.41 H new ATOM 0 HB2 TYR A 5 4.237 -5.535 -6.071 1.00 64.02 H new ATOM 0 HB3 TYR A 5 3.608 -5.833 -7.679 1.00 64.02 H new ATOM 0 HD1 TYR A 5 4.877 -8.480 -8.292 1.00 72.03 H new ATOM 0 HD2 TYR A 5 3.051 -7.058 -4.715 1.00 14.32 H new ATOM 0 HE1 TYR A 5 4.333 -10.788 -7.654 1.00 50.24 H new ATOM 0 HE2 TYR A 5 2.509 -9.364 -4.072 1.00 61.52 H new ATOM 0 HH TYR A 5 2.618 -11.507 -4.605 1.00 2.12 H new ATOM 82 N LYS A 6 6.116 -3.636 -7.268 1.00 14.41 N ATOM 83 CA LYS A 6 6.286 -2.258 -7.713 1.00 11.51 C ATOM 84 C LYS A 6 7.507 -2.125 -8.618 1.00 12.25 C ATOM 85 O LYS A 6 7.571 -1.232 -9.462 1.00 72.45 O ATOM 86 CB LYS A 6 6.427 -1.325 -6.508 1.00 52.41 C ATOM 87 CG LYS A 6 7.839 -1.258 -5.952 1.00 52.35 C ATOM 88 CD LYS A 6 8.627 -0.115 -6.570 1.00 4.01 C ATOM 89 CE LYS A 6 9.292 0.744 -5.504 1.00 75.43 C ATOM 90 NZ LYS A 6 10.121 1.826 -6.102 1.00 43.10 N ATOM 0 H LYS A 6 6.178 -3.763 -6.258 1.00 14.41 H new ATOM 0 HA LYS A 6 5.401 -1.975 -8.283 1.00 11.51 H new ATOM 0 HB2 LYS A 6 6.111 -0.322 -6.797 1.00 52.41 H new ATOM 0 HB3 LYS A 6 5.751 -1.658 -5.720 1.00 52.41 H new ATOM 0 HG2 LYS A 6 7.800 -1.131 -4.870 1.00 52.35 H new ATOM 0 HG3 LYS A 6 8.352 -2.200 -6.144 1.00 52.35 H new ATOM 0 HD2 LYS A 6 9.386 -0.516 -7.241 1.00 4.01 H new ATOM 0 HD3 LYS A 6 7.962 0.502 -7.174 1.00 4.01 H new ATOM 0 HE2 LYS A 6 8.528 1.184 -4.863 1.00 75.43 H new ATOM 0 HE3 LYS A 6 9.917 0.116 -4.869 1.00 75.43 H new ATOM 0 HZ1 LYS A 6 10.557 2.389 -5.344 1.00 43.10 H new ATOM 0 HZ2 LYS A 6 10.866 1.406 -6.693 1.00 43.10 H new ATOM 0 HZ3 LYS A 6 9.520 2.441 -6.687 1.00 43.10 H new ATOM 104 N ALA A 7 8.473 -3.019 -8.435 1.00 72.11 N ATOM 105 CA ALA A 7 9.690 -3.004 -9.237 1.00 53.53 C ATOM 106 C ALA A 7 9.389 -3.323 -10.698 1.00 33.03 C ATOM 107 O ALA A 7 9.666 -2.520 -11.588 1.00 73.33 O ATOM 108 CB ALA A 7 10.704 -3.990 -8.677 1.00 73.13 C ATOM 0 H ALA A 7 8.436 -3.763 -7.738 1.00 72.11 H new ATOM 0 HA ALA A 7 10.113 -2.000 -9.191 1.00 53.53 H new ATOM 0 HB1 ALA A 7 11.608 -3.968 -9.286 1.00 73.13 H new ATOM 0 HB2 ALA A 7 10.951 -3.715 -7.651 1.00 73.13 H new ATOM 0 HB3 ALA A 7 10.281 -4.995 -8.692 1.00 73.13 H new ATOM 114 N ALA A 8 8.821 -4.501 -10.936 1.00 52.30 N ATOM 115 CA ALA A 8 8.481 -4.925 -12.288 1.00 64.45 C ATOM 116 C ALA A 8 7.697 -3.844 -13.023 1.00 14.22 C ATOM 117 O ALA A 8 7.831 -3.680 -14.236 1.00 3.15 O ATOM 118 CB ALA A 8 7.687 -6.223 -12.251 1.00 4.34 C ATOM 0 H ALA A 8 8.587 -5.178 -10.210 1.00 52.30 H new ATOM 0 HA ALA A 8 9.410 -5.096 -12.832 1.00 64.45 H new ATOM 0 HB1 ALA A 8 7.440 -6.528 -13.268 1.00 4.34 H new ATOM 0 HB2 ALA A 8 8.283 -7.001 -11.774 1.00 4.34 H new ATOM 0 HB3 ALA A 8 6.768 -6.071 -11.684 1.00 4.34 H new ATOM 124 N VAL A 9 6.875 -3.108 -12.281 1.00 4.35 N ATOM 125 CA VAL A 9 6.069 -2.041 -12.861 1.00 71.04 C ATOM 126 C VAL A 9 6.949 -0.927 -13.417 1.00 11.12 C ATOM 127 O VAL A 9 6.797 -0.519 -14.568 1.00 2.23 O ATOM 128 CB VAL A 9 5.097 -1.445 -11.826 1.00 1.32 C ATOM 129 CG1 VAL A 9 4.094 -0.524 -12.503 1.00 52.31 C ATOM 130 CG2 VAL A 9 4.386 -2.553 -11.063 1.00 42.53 C ATOM 0 H VAL A 9 6.750 -3.232 -11.276 1.00 4.35 H new ATOM 0 HA VAL A 9 5.494 -2.485 -13.674 1.00 71.04 H new ATOM 0 HB VAL A 9 5.671 -0.854 -11.112 1.00 1.32 H new ATOM 0 HG11 VAL A 9 3.416 -0.113 -11.756 1.00 52.31 H new ATOM 0 HG12 VAL A 9 4.624 0.289 -12.999 1.00 52.31 H new ATOM 0 HG13 VAL A 9 3.522 -1.088 -13.240 1.00 52.31 H new ATOM 0 HG21 VAL A 9 3.703 -2.114 -10.336 1.00 42.53 H new ATOM 0 HG22 VAL A 9 3.823 -3.172 -11.761 1.00 42.53 H new ATOM 0 HG23 VAL A 9 5.122 -3.168 -10.544 1.00 42.53 H new ATOM 140 N GLU A 10 7.869 -0.440 -12.591 1.00 4.34 N ATOM 141 CA GLU A 10 8.774 0.628 -13.000 1.00 51.31 C ATOM 142 C GLU A 10 9.731 0.144 -14.086 1.00 14.50 C ATOM 143 O GLU A 10 10.339 0.947 -14.793 1.00 2.10 O ATOM 144 CB GLU A 10 9.568 1.143 -11.798 1.00 11.32 C ATOM 145 CG GLU A 10 9.035 2.448 -11.230 1.00 50.00 C ATOM 146 CD GLU A 10 10.103 3.519 -11.127 1.00 44.24 C ATOM 147 OE1 GLU A 10 10.599 3.965 -12.184 1.00 12.14 O ATOM 148 OE2 GLU A 10 10.444 3.911 -9.992 1.00 1.20 O ATOM 0 H GLU A 10 8.008 -0.768 -11.635 1.00 4.34 H new ATOM 0 HA GLU A 10 8.174 1.442 -13.405 1.00 51.31 H new ATOM 0 HB2 GLU A 10 9.558 0.385 -11.015 1.00 11.32 H new ATOM 0 HB3 GLU A 10 10.608 1.283 -12.093 1.00 11.32 H new ATOM 0 HG2 GLU A 10 8.223 2.810 -11.861 1.00 50.00 H new ATOM 0 HG3 GLU A 10 8.613 2.264 -10.242 1.00 50.00 H new ATOM 155 N GLN A 11 9.858 -1.173 -14.211 1.00 15.34 N ATOM 156 CA GLN A 11 10.741 -1.763 -15.209 1.00 30.41 C ATOM 157 C GLN A 11 10.035 -1.887 -16.555 1.00 44.44 C ATOM 158 O GLN A 11 10.648 -2.257 -17.558 1.00 2.12 O ATOM 159 CB GLN A 11 11.223 -3.139 -14.744 1.00 75.04 C ATOM 160 CG GLN A 11 11.869 -3.125 -13.368 1.00 54.34 C ATOM 161 CD GLN A 11 13.282 -3.674 -13.381 1.00 53.55 C ATOM 162 OE1 GLN A 11 14.242 -2.955 -13.100 1.00 74.40 O ATOM 163 NE2 GLN A 11 13.417 -4.953 -13.709 1.00 60.21 N ATOM 0 H GLN A 11 9.361 -1.851 -13.634 1.00 15.34 H new ATOM 0 HA GLN A 11 11.602 -1.106 -15.330 1.00 30.41 H new ATOM 0 HB2 GLN A 11 10.377 -3.826 -14.732 1.00 75.04 H new ATOM 0 HB3 GLN A 11 11.939 -3.528 -15.468 1.00 75.04 H new ATOM 0 HG2 GLN A 11 11.884 -2.103 -12.988 1.00 54.34 H new ATOM 0 HG3 GLN A 11 11.261 -3.712 -12.680 1.00 54.34 H new ATOM 0 HE21 GLN A 11 12.594 -5.511 -13.934 1.00 60.21 H new ATOM 0 HE22 GLN A 11 14.344 -5.378 -13.736 1.00 60.21 H new ATOM 172 N LEU A 12 8.744 -1.575 -16.572 1.00 3.52 N ATOM 173 CA LEU A 12 7.954 -1.650 -17.796 1.00 23.52 C ATOM 174 C LEU A 12 8.404 -0.595 -18.801 1.00 4.02 C ATOM 175 O LEU A 12 9.093 0.363 -18.446 1.00 71.43 O ATOM 176 CB LEU A 12 6.469 -1.469 -17.479 1.00 73.24 C ATOM 177 CG LEU A 12 5.854 -2.498 -16.529 1.00 45.50 C ATOM 178 CD1 LEU A 12 4.424 -2.115 -16.181 1.00 23.22 C ATOM 179 CD2 LEU A 12 5.902 -3.888 -17.145 1.00 72.21 C ATOM 0 H LEU A 12 8.222 -1.268 -15.752 1.00 3.52 H new ATOM 0 HA LEU A 12 8.108 -2.634 -18.238 1.00 23.52 H new ATOM 0 HB2 LEU A 12 6.328 -0.477 -17.049 1.00 73.24 H new ATOM 0 HB3 LEU A 12 5.913 -1.492 -18.416 1.00 73.24 H new ATOM 0 HG LEU A 12 6.439 -2.510 -15.609 1.00 45.50 H new ATOM 0 HD11 LEU A 12 4.003 -2.858 -15.504 1.00 23.22 H new ATOM 0 HD12 LEU A 12 4.416 -1.138 -15.697 1.00 23.22 H new ATOM 0 HD13 LEU A 12 3.827 -2.073 -17.092 1.00 23.22 H new ATOM 0 HD21 LEU A 12 5.460 -4.607 -16.455 1.00 72.21 H new ATOM 0 HD22 LEU A 12 5.342 -3.891 -18.080 1.00 72.21 H new ATOM 0 HD23 LEU A 12 6.938 -4.163 -17.342 1.00 72.21 H new ATOM 191 N THR A 13 8.009 -0.775 -20.057 1.00 42.14 N ATOM 192 CA THR A 13 8.371 0.162 -21.114 1.00 34.22 C ATOM 193 C THR A 13 7.273 1.198 -21.329 1.00 25.00 C ATOM 194 O THR A 13 6.133 1.003 -20.911 1.00 31.23 O ATOM 195 CB THR A 13 8.640 -0.568 -22.443 1.00 51.35 C ATOM 196 OG1 THR A 13 8.906 0.384 -23.479 1.00 40.44 O ATOM 197 CG2 THR A 13 7.452 -1.433 -22.836 1.00 62.30 C ATOM 0 H THR A 13 7.438 -1.561 -20.368 1.00 42.14 H new ATOM 0 HA THR A 13 9.283 0.665 -20.793 1.00 34.22 H new ATOM 0 HB THR A 13 9.509 -1.212 -22.309 1.00 51.35 H new ATOM 0 HG1 THR A 13 9.078 -0.088 -24.321 1.00 40.44 H new ATOM 0 HG21 THR A 13 7.666 -1.938 -23.778 1.00 62.30 H new ATOM 0 HG22 THR A 13 7.270 -2.175 -22.059 1.00 62.30 H new ATOM 0 HG23 THR A 13 6.568 -0.806 -22.953 1.00 62.30 H new ATOM 205 N GLU A 14 7.626 2.299 -21.984 1.00 43.44 N ATOM 206 CA GLU A 14 6.670 3.366 -22.254 1.00 54.35 C ATOM 207 C GLU A 14 5.381 2.804 -22.847 1.00 14.01 C ATOM 208 O GLU A 14 4.284 3.233 -22.491 1.00 53.43 O ATOM 209 CB GLU A 14 7.276 4.396 -23.210 1.00 64.21 C ATOM 210 CG GLU A 14 8.544 5.045 -22.680 1.00 70.04 C ATOM 211 CD GLU A 14 8.266 6.073 -21.601 1.00 53.45 C ATOM 212 OE1 GLU A 14 7.886 7.211 -21.951 1.00 31.22 O ATOM 213 OE2 GLU A 14 8.428 5.742 -20.409 1.00 32.43 O ATOM 0 H GLU A 14 8.566 2.475 -22.337 1.00 43.44 H new ATOM 0 HA GLU A 14 6.433 3.854 -21.308 1.00 54.35 H new ATOM 0 HB2 GLU A 14 7.496 3.911 -24.161 1.00 64.21 H new ATOM 0 HB3 GLU A 14 6.537 5.172 -23.411 1.00 64.21 H new ATOM 0 HG2 GLU A 14 9.203 4.274 -22.281 1.00 70.04 H new ATOM 0 HG3 GLU A 14 9.075 5.523 -23.504 1.00 70.04 H new ATOM 220 N GLU A 15 5.523 1.841 -23.753 1.00 10.53 N ATOM 221 CA GLU A 15 4.370 1.222 -24.395 1.00 62.35 C ATOM 222 C GLU A 15 3.544 0.430 -23.385 1.00 44.15 C ATOM 223 O GLU A 15 2.315 0.468 -23.409 1.00 14.42 O ATOM 224 CB GLU A 15 4.824 0.303 -25.531 1.00 65.34 C ATOM 225 CG GLU A 15 5.275 1.050 -26.775 1.00 60.24 C ATOM 226 CD GLU A 15 5.381 0.149 -27.990 1.00 62.25 C ATOM 227 OE1 GLU A 15 5.432 -1.086 -27.812 1.00 3.13 O ATOM 228 OE2 GLU A 15 5.413 0.679 -29.121 1.00 0.53 O ATOM 0 H GLU A 15 6.424 1.473 -24.058 1.00 10.53 H new ATOM 0 HA GLU A 15 3.746 2.016 -24.806 1.00 62.35 H new ATOM 0 HB2 GLU A 15 5.643 -0.322 -25.176 1.00 65.34 H new ATOM 0 HB3 GLU A 15 4.005 -0.365 -25.796 1.00 65.34 H new ATOM 0 HG2 GLU A 15 4.572 1.856 -26.985 1.00 60.24 H new ATOM 0 HG3 GLU A 15 6.243 1.513 -26.585 1.00 60.24 H new ATOM 235 N GLN A 16 4.230 -0.286 -22.501 1.00 25.40 N ATOM 236 CA GLN A 16 3.561 -1.088 -21.484 1.00 33.12 C ATOM 237 C GLN A 16 2.668 -0.218 -20.606 1.00 13.14 C ATOM 238 O GLN A 16 1.549 -0.603 -20.264 1.00 63.01 O ATOM 239 CB GLN A 16 4.590 -1.818 -20.620 1.00 5.14 C ATOM 240 CG GLN A 16 5.025 -3.157 -21.192 1.00 65.32 C ATOM 241 CD GLN A 16 4.077 -4.283 -20.829 1.00 5.04 C ATOM 242 OE1 GLN A 16 3.529 -4.317 -19.727 1.00 1.34 O ATOM 243 NE2 GLN A 16 3.879 -5.213 -21.756 1.00 0.15 N ATOM 0 H GLN A 16 5.249 -0.327 -22.468 1.00 25.40 H new ATOM 0 HA GLN A 16 2.936 -1.824 -21.991 1.00 33.12 H new ATOM 0 HB2 GLN A 16 5.467 -1.182 -20.499 1.00 5.14 H new ATOM 0 HB3 GLN A 16 4.171 -1.976 -19.626 1.00 5.14 H new ATOM 0 HG2 GLN A 16 5.092 -3.080 -22.277 1.00 65.32 H new ATOM 0 HG3 GLN A 16 6.024 -3.396 -20.827 1.00 65.32 H new ATOM 0 HE21 GLN A 16 4.354 -5.145 -22.656 1.00 0.15 H new ATOM 0 HE22 GLN A 16 3.252 -5.995 -21.568 1.00 0.15 H new ATOM 252 N LYS A 17 3.169 0.958 -20.242 1.00 71.13 N ATOM 253 CA LYS A 17 2.417 1.885 -19.404 1.00 62.52 C ATOM 254 C LYS A 17 1.201 2.427 -20.148 1.00 31.20 C ATOM 255 O LYS A 17 0.117 2.546 -19.579 1.00 53.52 O ATOM 256 CB LYS A 17 3.313 3.042 -18.958 1.00 1.13 C ATOM 257 CG LYS A 17 3.744 2.952 -17.504 1.00 41.00 C ATOM 258 CD LYS A 17 4.285 1.573 -17.167 1.00 63.33 C ATOM 259 CE LYS A 17 5.104 1.593 -15.885 1.00 72.25 C ATOM 260 NZ LYS A 17 6.549 1.831 -16.154 1.00 22.41 N ATOM 0 H LYS A 17 4.093 1.292 -20.515 1.00 71.13 H new ATOM 0 HA LYS A 17 2.070 1.342 -18.525 1.00 62.52 H new ATOM 0 HB2 LYS A 17 4.200 3.068 -19.590 1.00 1.13 H new ATOM 0 HB3 LYS A 17 2.783 3.982 -19.114 1.00 1.13 H new ATOM 0 HG2 LYS A 17 4.508 3.703 -17.303 1.00 41.00 H new ATOM 0 HG3 LYS A 17 2.896 3.179 -16.858 1.00 41.00 H new ATOM 0 HD2 LYS A 17 3.457 0.872 -17.060 1.00 63.33 H new ATOM 0 HD3 LYS A 17 4.903 1.213 -17.989 1.00 63.33 H new ATOM 0 HE2 LYS A 17 4.725 2.372 -15.224 1.00 72.25 H new ATOM 0 HE3 LYS A 17 4.983 0.644 -15.362 1.00 72.25 H new ATOM 0 HZ1 LYS A 17 7.115 1.095 -15.686 1.00 22.41 H new ATOM 0 HZ2 LYS A 17 6.721 1.801 -17.179 1.00 22.41 H new ATOM 0 HZ3 LYS A 17 6.822 2.764 -15.785 1.00 22.41 H new ATOM 274 N ASN A 18 1.389 2.752 -21.423 1.00 30.21 N ATOM 275 CA ASN A 18 0.306 3.280 -22.245 1.00 2.54 C ATOM 276 C ASN A 18 -0.710 2.191 -22.573 1.00 22.44 C ATOM 277 O ASN A 18 -1.880 2.476 -22.825 1.00 62.52 O ATOM 278 CB ASN A 18 0.865 3.879 -23.537 1.00 74.44 C ATOM 279 CG ASN A 18 1.391 5.287 -23.342 1.00 42.35 C ATOM 280 OD1 ASN A 18 0.661 6.181 -22.915 1.00 52.53 O ATOM 281 ND2 ASN A 18 2.665 5.491 -23.656 1.00 45.00 N ATOM 0 H ASN A 18 2.281 2.659 -21.909 1.00 30.21 H new ATOM 0 HA ASN A 18 -0.199 4.062 -21.678 1.00 2.54 H new ATOM 0 HB2 ASN A 18 1.667 3.243 -23.911 1.00 74.44 H new ATOM 0 HB3 ASN A 18 0.084 3.888 -24.297 1.00 74.44 H new ATOM 0 HD21 ASN A 18 3.075 6.418 -23.546 1.00 45.00 H new ATOM 0 HD22 ASN A 18 3.234 4.720 -24.007 1.00 45.00 H new ATOM 288 N GLU A 19 -0.253 0.942 -22.566 1.00 12.12 N ATOM 289 CA GLU A 19 -1.123 -0.190 -22.863 1.00 22.22 C ATOM 290 C GLU A 19 -2.169 -0.375 -21.767 1.00 25.20 C ATOM 291 O GLU A 19 -3.371 -0.339 -22.028 1.00 51.44 O ATOM 292 CB GLU A 19 -0.297 -1.469 -23.016 1.00 72.33 C ATOM 293 CG GLU A 19 0.036 -1.809 -24.459 1.00 70.13 C ATOM 294 CD GLU A 19 0.420 -3.265 -24.642 1.00 53.32 C ATOM 295 OE1 GLU A 19 0.957 -3.860 -23.685 1.00 65.53 O ATOM 296 OE2 GLU A 19 0.183 -3.808 -25.741 1.00 51.34 O ATOM 0 H GLU A 19 0.713 0.689 -22.358 1.00 12.12 H new ATOM 0 HA GLU A 19 -1.638 0.016 -23.801 1.00 22.22 H new ATOM 0 HB2 GLU A 19 0.630 -1.362 -22.453 1.00 72.33 H new ATOM 0 HB3 GLU A 19 -0.845 -2.301 -22.573 1.00 72.33 H new ATOM 0 HG2 GLU A 19 -0.824 -1.582 -25.089 1.00 70.13 H new ATOM 0 HG3 GLU A 19 0.856 -1.176 -24.798 1.00 70.13 H new ATOM 303 N PHE A 20 -1.701 -0.575 -20.539 1.00 53.30 N ATOM 304 CA PHE A 20 -2.595 -0.767 -19.403 1.00 21.41 C ATOM 305 C PHE A 20 -3.400 0.498 -19.124 1.00 12.34 C ATOM 306 O PHE A 20 -4.560 0.433 -18.717 1.00 14.04 O ATOM 307 CB PHE A 20 -1.796 -1.162 -18.159 1.00 45.43 C ATOM 308 CG PHE A 20 -1.348 0.013 -17.337 1.00 61.01 C ATOM 309 CD1 PHE A 20 -2.218 0.626 -16.450 1.00 41.42 C ATOM 310 CD2 PHE A 20 -0.057 0.503 -17.451 1.00 10.32 C ATOM 311 CE1 PHE A 20 -1.809 1.708 -15.693 1.00 64.12 C ATOM 312 CE2 PHE A 20 0.358 1.584 -16.696 1.00 1.30 C ATOM 313 CZ PHE A 20 -0.519 2.187 -15.815 1.00 62.43 C ATOM 0 H PHE A 20 -0.709 -0.608 -20.305 1.00 53.30 H new ATOM 0 HA PHE A 20 -3.289 -1.570 -19.651 1.00 21.41 H new ATOM 0 HB2 PHE A 20 -2.406 -1.818 -17.538 1.00 45.43 H new ATOM 0 HB3 PHE A 20 -0.921 -1.736 -18.466 1.00 45.43 H new ATOM 0 HD1 PHE A 20 -3.227 0.254 -16.349 1.00 41.42 H new ATOM 0 HD2 PHE A 20 0.633 0.035 -18.138 1.00 10.32 H new ATOM 0 HE1 PHE A 20 -2.497 2.179 -15.007 1.00 64.12 H new ATOM 0 HE2 PHE A 20 1.367 1.957 -16.795 1.00 1.30 H new ATOM 0 HZ PHE A 20 -0.197 3.031 -15.223 1.00 62.43 H new ATOM 323 N LYS A 21 -2.776 1.650 -19.345 1.00 10.23 N ATOM 324 CA LYS A 21 -3.432 2.932 -19.118 1.00 54.43 C ATOM 325 C LYS A 21 -4.695 3.054 -19.965 1.00 52.12 C ATOM 326 O LYS A 21 -5.697 3.616 -19.525 1.00 12.53 O ATOM 327 CB LYS A 21 -2.476 4.082 -19.442 1.00 2.43 C ATOM 328 CG LYS A 21 -3.034 5.453 -19.099 1.00 75.34 C ATOM 329 CD LYS A 21 -2.137 6.565 -19.614 1.00 42.32 C ATOM 330 CE LYS A 21 -2.355 6.816 -21.098 1.00 71.14 C ATOM 331 NZ LYS A 21 -3.631 7.539 -21.357 1.00 42.40 N ATOM 0 H LYS A 21 -1.816 1.722 -19.681 1.00 10.23 H new ATOM 0 HA LYS A 21 -3.713 2.987 -18.066 1.00 54.43 H new ATOM 0 HB2 LYS A 21 -1.543 3.932 -18.898 1.00 2.43 H new ATOM 0 HB3 LYS A 21 -2.233 4.053 -20.504 1.00 2.43 H new ATOM 0 HG2 LYS A 21 -4.030 5.559 -19.529 1.00 75.34 H new ATOM 0 HG3 LYS A 21 -3.142 5.543 -18.018 1.00 75.34 H new ATOM 0 HD2 LYS A 21 -2.334 7.481 -19.056 1.00 42.32 H new ATOM 0 HD3 LYS A 21 -1.094 6.303 -19.438 1.00 42.32 H new ATOM 0 HE2 LYS A 21 -1.522 7.396 -21.494 1.00 71.14 H new ATOM 0 HE3 LYS A 21 -2.362 5.865 -21.630 1.00 71.14 H new ATOM 0 HZ1 LYS A 21 -3.664 7.840 -22.352 1.00 42.40 H new ATOM 0 HZ2 LYS A 21 -4.434 6.908 -21.159 1.00 42.40 H new ATOM 0 HZ3 LYS A 21 -3.688 8.375 -20.741 1.00 42.40 H new ATOM 345 N ALA A 22 -4.640 2.522 -21.182 1.00 2.31 N ATOM 346 CA ALA A 22 -5.780 2.569 -22.088 1.00 73.34 C ATOM 347 C ALA A 22 -6.815 1.509 -21.724 1.00 65.03 C ATOM 348 O ALA A 22 -8.014 1.710 -21.910 1.00 34.33 O ATOM 349 CB ALA A 22 -5.319 2.386 -23.527 1.00 1.42 C ATOM 0 H ALA A 22 -3.818 2.054 -21.563 1.00 2.31 H new ATOM 0 HA ALA A 22 -6.250 3.548 -21.990 1.00 73.34 H new ATOM 0 HB1 ALA A 22 -6.181 2.423 -24.193 1.00 1.42 H new ATOM 0 HB2 ALA A 22 -4.623 3.182 -23.790 1.00 1.42 H new ATOM 0 HB3 ALA A 22 -4.822 1.421 -23.630 1.00 1.42 H new ATOM 355 N ALA A 23 -6.341 0.380 -21.206 1.00 13.51 N ATOM 356 CA ALA A 23 -7.226 -0.710 -20.815 1.00 24.32 C ATOM 357 C ALA A 23 -8.043 -0.339 -19.582 1.00 71.22 C ATOM 358 O ALA A 23 -9.196 -0.748 -19.444 1.00 12.34 O ATOM 359 CB ALA A 23 -6.421 -1.975 -20.555 1.00 63.14 C ATOM 0 H ALA A 23 -5.350 0.197 -21.048 1.00 13.51 H new ATOM 0 HA ALA A 23 -7.919 -0.895 -21.636 1.00 24.32 H new ATOM 0 HB1 ALA A 23 -7.094 -2.781 -20.264 1.00 63.14 H new ATOM 0 HB2 ALA A 23 -5.886 -2.259 -21.461 1.00 63.14 H new ATOM 0 HB3 ALA A 23 -5.705 -1.793 -19.753 1.00 63.14 H new ATOM 365 N PHE A 24 -7.439 0.437 -18.689 1.00 24.24 N ATOM 366 CA PHE A 24 -8.111 0.862 -17.466 1.00 64.21 C ATOM 367 C PHE A 24 -9.399 1.614 -17.787 1.00 21.21 C ATOM 368 O PHE A 24 -10.351 1.597 -17.006 1.00 42.33 O ATOM 369 CB PHE A 24 -7.184 1.748 -16.631 1.00 62.12 C ATOM 370 CG PHE A 24 -7.827 2.279 -15.382 1.00 71.30 C ATOM 371 CD1 PHE A 24 -7.913 1.493 -14.244 1.00 13.21 C ATOM 372 CD2 PHE A 24 -8.345 3.563 -15.346 1.00 10.33 C ATOM 373 CE1 PHE A 24 -8.505 1.979 -13.093 1.00 54.15 C ATOM 374 CE2 PHE A 24 -8.938 4.055 -14.198 1.00 20.31 C ATOM 375 CZ PHE A 24 -9.017 3.262 -13.070 1.00 73.30 C ATOM 0 H PHE A 24 -6.485 0.785 -18.789 1.00 24.24 H new ATOM 0 HA PHE A 24 -8.365 -0.029 -16.892 1.00 64.21 H new ATOM 0 HB2 PHE A 24 -6.297 1.177 -16.359 1.00 62.12 H new ATOM 0 HB3 PHE A 24 -6.848 2.586 -17.242 1.00 62.12 H new ATOM 0 HD1 PHE A 24 -7.513 0.490 -14.256 1.00 13.21 H new ATOM 0 HD2 PHE A 24 -8.285 4.187 -16.225 1.00 10.33 H new ATOM 0 HE1 PHE A 24 -8.567 1.356 -12.213 1.00 54.15 H new ATOM 0 HE2 PHE A 24 -9.339 5.058 -14.183 1.00 20.31 H new ATOM 0 HZ PHE A 24 -9.478 3.644 -12.171 1.00 73.30 H new ATOM 385 N ASP A 25 -9.421 2.273 -18.940 1.00 64.42 N ATOM 386 CA ASP A 25 -10.591 3.031 -19.366 1.00 33.12 C ATOM 387 C ASP A 25 -11.767 2.101 -19.651 1.00 44.23 C ATOM 388 O ASP A 25 -12.899 2.377 -19.255 1.00 32.05 O ATOM 389 CB ASP A 25 -10.265 3.858 -20.610 1.00 70.13 C ATOM 390 CG ASP A 25 -11.471 4.611 -21.137 1.00 44.04 C ATOM 391 OD1 ASP A 25 -12.255 5.126 -20.313 1.00 62.15 O ATOM 392 OD2 ASP A 25 -11.630 4.685 -22.374 1.00 74.20 O ATOM 0 H ASP A 25 -8.641 2.297 -19.597 1.00 64.42 H new ATOM 0 HA ASP A 25 -10.872 3.704 -18.556 1.00 33.12 H new ATOM 0 HB2 ASP A 25 -9.472 4.568 -20.373 1.00 70.13 H new ATOM 0 HB3 ASP A 25 -9.882 3.200 -21.390 1.00 70.13 H new ATOM 397 N ILE A 26 -11.489 1.001 -20.342 1.00 74.33 N ATOM 398 CA ILE A 26 -12.524 0.031 -20.681 1.00 23.15 C ATOM 399 C ILE A 26 -13.077 -0.642 -19.429 1.00 23.21 C ATOM 400 O ILE A 26 -14.220 -1.098 -19.410 1.00 13.22 O ATOM 401 CB ILE A 26 -11.990 -1.051 -21.638 1.00 43.31 C ATOM 402 CG1 ILE A 26 -11.586 -0.425 -22.975 1.00 24.14 C ATOM 403 CG2 ILE A 26 -13.036 -2.135 -21.849 1.00 53.43 C ATOM 404 CD1 ILE A 26 -10.091 -0.403 -23.204 1.00 64.21 C ATOM 0 H ILE A 26 -10.557 0.759 -20.678 1.00 74.33 H new ATOM 0 HA ILE A 26 -13.322 0.582 -21.178 1.00 23.15 H new ATOM 0 HB ILE A 26 -11.107 -1.508 -21.190 1.00 43.31 H new ATOM 0 HG12 ILE A 26 -12.061 -0.979 -23.785 1.00 24.14 H new ATOM 0 HG13 ILE A 26 -11.967 0.595 -23.019 1.00 24.14 H new ATOM 0 HG21 ILE A 26 -12.643 -2.892 -22.528 1.00 53.43 H new ATOM 0 HG22 ILE A 26 -13.280 -2.597 -20.892 1.00 53.43 H new ATOM 0 HG23 ILE A 26 -13.935 -1.694 -22.279 1.00 53.43 H new ATOM 0 HD11 ILE A 26 -9.878 0.054 -24.170 1.00 64.21 H new ATOM 0 HD12 ILE A 26 -9.611 0.175 -22.415 1.00 64.21 H new ATOM 0 HD13 ILE A 26 -9.706 -1.423 -23.192 1.00 64.21 H new ATOM 416 N PHE A 27 -12.258 -0.700 -18.384 1.00 2.31 N ATOM 417 CA PHE A 27 -12.665 -1.316 -17.127 1.00 21.33 C ATOM 418 C PHE A 27 -13.565 -0.379 -16.328 1.00 13.35 C ATOM 419 O PHE A 27 -14.574 -0.801 -15.761 1.00 44.14 O ATOM 420 CB PHE A 27 -11.436 -1.692 -16.297 1.00 4.44 C ATOM 421 CG PHE A 27 -10.828 -3.009 -16.687 1.00 41.50 C ATOM 422 CD1 PHE A 27 -10.471 -3.259 -18.002 1.00 42.12 C ATOM 423 CD2 PHE A 27 -10.613 -3.996 -15.739 1.00 13.21 C ATOM 424 CE1 PHE A 27 -9.912 -4.470 -18.364 1.00 72.21 C ATOM 425 CE2 PHE A 27 -10.055 -5.209 -16.095 1.00 4.01 C ATOM 426 CZ PHE A 27 -9.703 -5.446 -17.409 1.00 43.11 C ATOM 0 H PHE A 27 -11.308 -0.328 -18.383 1.00 2.31 H new ATOM 0 HA PHE A 27 -13.228 -2.220 -17.360 1.00 21.33 H new ATOM 0 HB2 PHE A 27 -10.684 -0.909 -16.401 1.00 4.44 H new ATOM 0 HB3 PHE A 27 -11.716 -1.728 -15.244 1.00 4.44 H new ATOM 0 HD1 PHE A 27 -10.631 -2.499 -18.753 1.00 42.12 H new ATOM 0 HD2 PHE A 27 -10.885 -3.815 -14.709 1.00 13.21 H new ATOM 0 HE1 PHE A 27 -9.639 -4.653 -19.393 1.00 72.21 H new ATOM 0 HE2 PHE A 27 -9.894 -5.971 -15.346 1.00 4.01 H new ATOM 0 HZ PHE A 27 -9.265 -6.393 -17.690 1.00 43.11 H new ATOM 436 N VAL A 28 -13.193 0.897 -16.286 1.00 21.32 N ATOM 437 CA VAL A 28 -13.966 1.895 -15.557 1.00 41.30 C ATOM 438 C VAL A 28 -15.101 2.444 -16.414 1.00 41.50 C ATOM 439 O VAL A 28 -15.819 3.356 -16.002 1.00 54.32 O ATOM 440 CB VAL A 28 -13.077 3.064 -15.092 1.00 64.21 C ATOM 441 CG1 VAL A 28 -11.897 2.548 -14.282 1.00 71.11 C ATOM 442 CG2 VAL A 28 -12.599 3.877 -16.286 1.00 13.12 C ATOM 0 H VAL A 28 -12.361 1.263 -16.748 1.00 21.32 H new ATOM 0 HA VAL A 28 -14.383 1.396 -14.683 1.00 41.30 H new ATOM 0 HB VAL A 28 -13.670 3.716 -14.451 1.00 64.21 H new ATOM 0 HG11 VAL A 28 -11.280 3.388 -13.962 1.00 71.11 H new ATOM 0 HG12 VAL A 28 -12.263 2.012 -13.406 1.00 71.11 H new ATOM 0 HG13 VAL A 28 -11.301 1.873 -14.897 1.00 71.11 H new ATOM 0 HG21 VAL A 28 -11.972 4.699 -15.939 1.00 13.12 H new ATOM 0 HG22 VAL A 28 -12.022 3.238 -16.954 1.00 13.12 H new ATOM 0 HG23 VAL A 28 -13.460 4.278 -16.821 1.00 13.12 H new ATOM 452 N LEU A 29 -15.258 1.884 -17.608 1.00 64.21 N ATOM 453 CA LEU A 29 -16.307 2.317 -18.525 1.00 23.32 C ATOM 454 C LEU A 29 -17.679 2.221 -17.866 1.00 71.41 C ATOM 455 O LEU A 29 -18.608 2.938 -18.236 1.00 21.32 O ATOM 456 CB LEU A 29 -16.279 1.470 -19.799 1.00 13.34 C ATOM 457 CG LEU A 29 -15.621 2.115 -21.019 1.00 55.20 C ATOM 458 CD1 LEU A 29 -15.658 1.168 -22.208 1.00 63.21 C ATOM 459 CD2 LEU A 29 -16.306 3.430 -21.361 1.00 54.25 C ATOM 0 H LEU A 29 -14.672 1.129 -17.964 1.00 64.21 H new ATOM 0 HA LEU A 29 -16.122 3.359 -18.785 1.00 23.32 H new ATOM 0 HB2 LEU A 29 -15.758 0.538 -19.580 1.00 13.34 H new ATOM 0 HB3 LEU A 29 -17.304 1.208 -20.060 1.00 13.34 H new ATOM 0 HG LEU A 29 -14.578 2.323 -20.778 1.00 55.20 H new ATOM 0 HD11 LEU A 29 -15.185 1.644 -23.067 1.00 63.21 H new ATOM 0 HD12 LEU A 29 -15.122 0.252 -21.960 1.00 63.21 H new ATOM 0 HD13 LEU A 29 -16.693 0.928 -22.450 1.00 63.21 H new ATOM 0 HD21 LEU A 29 -15.825 3.875 -22.232 1.00 54.25 H new ATOM 0 HD22 LEU A 29 -17.357 3.246 -21.582 1.00 54.25 H new ATOM 0 HD23 LEU A 29 -16.227 4.112 -20.515 1.00 54.25 H new ATOM 471 N GLY A 30 -17.799 1.330 -16.886 1.00 4.11 N ATOM 472 CA GLY A 30 -19.060 1.158 -16.190 1.00 13.23 C ATOM 473 C GLY A 30 -19.229 2.137 -15.045 1.00 3.13 C ATOM 474 O GLY A 30 -20.349 2.512 -14.699 1.00 61.14 O ATOM 0 H GLY A 30 -17.045 0.724 -16.562 1.00 4.11 H new ATOM 0 HA2 GLY A 30 -19.881 1.284 -16.896 1.00 13.23 H new ATOM 0 HA3 GLY A 30 -19.123 0.140 -15.806 1.00 13.23 H new ATOM 478 N ALA A 31 -18.113 2.551 -14.453 1.00 40.23 N ATOM 479 CA ALA A 31 -18.142 3.493 -13.341 1.00 31.41 C ATOM 480 C ALA A 31 -18.465 4.903 -13.823 1.00 71.33 C ATOM 481 O ALA A 31 -18.422 5.183 -15.021 1.00 11.45 O ATOM 482 CB ALA A 31 -16.812 3.477 -12.601 1.00 54.35 C ATOM 0 H ALA A 31 -17.178 2.249 -14.725 1.00 40.23 H new ATOM 0 HA ALA A 31 -18.931 3.183 -12.655 1.00 31.41 H new ATOM 0 HB1 ALA A 31 -16.848 4.185 -11.773 1.00 54.35 H new ATOM 0 HB2 ALA A 31 -16.623 2.476 -12.214 1.00 54.35 H new ATOM 0 HB3 ALA A 31 -16.012 3.759 -13.285 1.00 54.35 H new ATOM 488 N GLU A 32 -18.789 5.785 -12.883 1.00 41.23 N ATOM 489 CA GLU A 32 -19.121 7.166 -13.215 1.00 23.04 C ATOM 490 C GLU A 32 -17.991 8.109 -12.811 1.00 20.05 C ATOM 491 O GLU A 32 -17.840 9.192 -13.376 1.00 65.24 O ATOM 492 CB GLU A 32 -20.420 7.582 -12.521 1.00 43.23 C ATOM 493 CG GLU A 32 -21.641 6.821 -13.009 1.00 41.24 C ATOM 494 CD GLU A 32 -21.771 6.835 -14.520 1.00 75.11 C ATOM 495 OE1 GLU A 32 -21.633 7.922 -15.118 1.00 50.04 O ATOM 496 OE2 GLU A 32 -22.012 5.757 -15.104 1.00 0.21 O ATOM 0 H GLU A 32 -18.829 5.569 -11.887 1.00 41.23 H new ATOM 0 HA GLU A 32 -19.257 7.231 -14.295 1.00 23.04 H new ATOM 0 HB2 GLU A 32 -20.313 7.430 -11.447 1.00 43.23 H new ATOM 0 HB3 GLU A 32 -20.580 8.649 -12.678 1.00 43.23 H new ATOM 0 HG2 GLU A 32 -21.584 5.789 -12.662 1.00 41.24 H new ATOM 0 HG3 GLU A 32 -22.537 7.257 -12.567 1.00 41.24 H new ATOM 503 N ASP A 33 -17.201 7.690 -11.828 1.00 34.40 N ATOM 504 CA ASP A 33 -16.085 8.495 -11.348 1.00 1.45 C ATOM 505 C ASP A 33 -14.777 8.054 -11.997 1.00 30.11 C ATOM 506 O ASP A 33 -13.881 8.865 -12.227 1.00 14.41 O ATOM 507 CB ASP A 33 -15.973 8.394 -9.826 1.00 23.15 C ATOM 508 CG ASP A 33 -17.187 8.960 -9.116 1.00 51.45 C ATOM 509 OD1 ASP A 33 -17.250 10.196 -8.941 1.00 60.54 O ATOM 510 OD2 ASP A 33 -18.075 8.169 -8.737 1.00 71.33 O ATOM 0 H ASP A 33 -17.314 6.797 -11.348 1.00 34.40 H new ATOM 0 HA ASP A 33 -16.274 9.533 -11.623 1.00 1.45 H new ATOM 0 HB2 ASP A 33 -15.845 7.349 -9.543 1.00 23.15 H new ATOM 0 HB3 ASP A 33 -15.081 8.926 -9.494 1.00 23.15 H new ATOM 515 N GLY A 34 -14.674 6.761 -12.289 1.00 71.15 N ATOM 516 CA GLY A 34 -13.472 6.234 -12.908 1.00 61.31 C ATOM 517 C GLY A 34 -12.781 5.199 -12.043 1.00 22.41 C ATOM 518 O GLY A 34 -11.583 5.303 -11.775 1.00 12.40 O ATOM 0 H GLY A 34 -15.401 6.069 -12.108 1.00 71.15 H new ATOM 0 HA2 GLY A 34 -13.728 5.788 -13.869 1.00 61.31 H new ATOM 0 HA3 GLY A 34 -12.782 7.053 -13.110 1.00 61.31 H new ATOM 522 N CYS A 35 -13.536 4.198 -11.604 1.00 23.14 N ATOM 523 CA CYS A 35 -12.989 3.140 -10.761 1.00 2.31 C ATOM 524 C CYS A 35 -13.646 1.800 -11.075 1.00 10.30 C ATOM 525 O CYS A 35 -14.576 1.727 -11.879 1.00 11.43 O ATOM 526 CB CYS A 35 -13.185 3.484 -9.284 1.00 4.34 C ATOM 527 SG CYS A 35 -14.861 4.015 -8.865 1.00 55.52 S ATOM 0 H CYS A 35 -14.528 4.097 -11.818 1.00 23.14 H new ATOM 0 HA CYS A 35 -11.922 3.058 -10.969 1.00 2.31 H new ATOM 0 HB2 CYS A 35 -12.931 2.611 -8.682 1.00 4.34 H new ATOM 0 HB3 CYS A 35 -12.486 4.274 -9.010 1.00 4.34 H new ATOM 0 HG CYS A 35 -14.927 4.281 -7.594 1.00 55.52 H new ATOM 533 N ILE A 36 -13.155 0.743 -10.437 1.00 74.24 N ATOM 534 CA ILE A 36 -13.695 -0.595 -10.649 1.00 41.55 C ATOM 535 C ILE A 36 -14.130 -1.227 -9.332 1.00 32.00 C ATOM 536 O ILE A 36 -13.317 -1.429 -8.430 1.00 13.20 O ATOM 537 CB ILE A 36 -12.666 -1.515 -11.333 1.00 11.24 C ATOM 538 CG1 ILE A 36 -12.249 -0.934 -12.685 1.00 71.34 C ATOM 539 CG2 ILE A 36 -13.239 -2.914 -11.504 1.00 44.22 C ATOM 540 CD1 ILE A 36 -10.750 -0.859 -12.875 1.00 32.43 C ATOM 0 H ILE A 36 -12.385 0.787 -9.770 1.00 74.24 H new ATOM 0 HA ILE A 36 -14.562 -0.486 -11.300 1.00 41.55 H new ATOM 0 HB ILE A 36 -11.781 -1.581 -10.700 1.00 11.24 H new ATOM 0 HG12 ILE A 36 -12.678 -1.543 -13.481 1.00 71.34 H new ATOM 0 HG13 ILE A 36 -12.670 0.066 -12.787 1.00 71.34 H new ATOM 0 HG21 ILE A 36 -12.501 -3.553 -11.989 1.00 44.22 H new ATOM 0 HG22 ILE A 36 -13.490 -3.326 -10.527 1.00 44.22 H new ATOM 0 HG23 ILE A 36 -14.137 -2.866 -12.119 1.00 44.22 H new ATOM 0 HD11 ILE A 36 -10.528 -0.437 -13.855 1.00 32.43 H new ATOM 0 HD12 ILE A 36 -10.316 -0.226 -12.101 1.00 32.43 H new ATOM 0 HD13 ILE A 36 -10.324 -1.860 -12.806 1.00 32.43 H new ATOM 552 N SER A 37 -15.418 -1.539 -9.229 1.00 30.42 N ATOM 553 CA SER A 37 -15.963 -2.148 -8.021 1.00 4.34 C ATOM 554 C SER A 37 -15.878 -3.669 -8.093 1.00 31.31 C ATOM 555 O SER A 37 -15.980 -4.259 -9.169 1.00 44.25 O ATOM 556 CB SER A 37 -17.416 -1.715 -7.817 1.00 70.52 C ATOM 557 OG SER A 37 -18.153 -2.712 -7.130 1.00 50.11 O ATOM 0 H SER A 37 -16.104 -1.380 -9.967 1.00 30.42 H new ATOM 0 HA SER A 37 -15.368 -1.809 -7.173 1.00 4.34 H new ATOM 0 HB2 SER A 37 -17.445 -0.783 -7.253 1.00 70.52 H new ATOM 0 HB3 SER A 37 -17.879 -1.517 -8.784 1.00 70.52 H new ATOM 0 HG SER A 37 -19.078 -2.411 -7.011 1.00 50.11 H new ATOM 563 N THR A 38 -15.691 -4.301 -6.938 1.00 71.01 N ATOM 564 CA THR A 38 -15.591 -5.753 -6.869 1.00 35.33 C ATOM 565 C THR A 38 -16.806 -6.419 -7.505 1.00 14.21 C ATOM 566 O THR A 38 -16.735 -7.560 -7.960 1.00 62.45 O ATOM 567 CB THR A 38 -15.458 -6.238 -5.413 1.00 32.42 C ATOM 568 OG1 THR A 38 -15.628 -7.659 -5.352 1.00 54.12 O ATOM 569 CG2 THR A 38 -16.487 -5.561 -4.520 1.00 40.34 C ATOM 0 H THR A 38 -15.606 -3.829 -6.038 1.00 71.01 H new ATOM 0 HA THR A 38 -14.695 -6.035 -7.422 1.00 35.33 H new ATOM 0 HB THR A 38 -14.462 -5.976 -5.056 1.00 32.42 H new ATOM 0 HG1 THR A 38 -15.540 -7.959 -4.423 1.00 54.12 H new ATOM 0 HG21 THR A 38 -16.373 -5.920 -3.497 1.00 40.34 H new ATOM 0 HG22 THR A 38 -16.337 -4.482 -4.545 1.00 40.34 H new ATOM 0 HG23 THR A 38 -17.490 -5.796 -4.877 1.00 40.34 H new ATOM 577 N LYS A 39 -17.922 -5.698 -7.534 1.00 34.31 N ATOM 578 CA LYS A 39 -19.154 -6.218 -8.116 1.00 51.43 C ATOM 579 C LYS A 39 -19.013 -6.386 -9.626 1.00 33.33 C ATOM 580 O LYS A 39 -19.296 -7.454 -10.168 1.00 50.25 O ATOM 581 CB LYS A 39 -20.324 -5.282 -7.804 1.00 32.11 C ATOM 582 CG LYS A 39 -21.657 -5.774 -8.342 1.00 63.00 C ATOM 583 CD LYS A 39 -22.317 -6.753 -7.386 1.00 13.45 C ATOM 584 CE LYS A 39 -23.115 -6.029 -6.311 1.00 24.41 C ATOM 585 NZ LYS A 39 -24.107 -6.927 -5.658 1.00 73.21 N ATOM 0 H LYS A 39 -17.999 -4.752 -7.161 1.00 34.31 H new ATOM 0 HA LYS A 39 -19.351 -7.195 -7.676 1.00 51.43 H new ATOM 0 HB2 LYS A 39 -20.401 -5.158 -6.724 1.00 32.11 H new ATOM 0 HB3 LYS A 39 -20.113 -4.298 -8.223 1.00 32.11 H new ATOM 0 HG2 LYS A 39 -22.319 -4.924 -8.509 1.00 63.00 H new ATOM 0 HG3 LYS A 39 -21.505 -6.254 -9.309 1.00 63.00 H new ATOM 0 HD2 LYS A 39 -22.976 -7.419 -7.943 1.00 13.45 H new ATOM 0 HD3 LYS A 39 -21.555 -7.376 -6.918 1.00 13.45 H new ATOM 0 HE2 LYS A 39 -22.434 -5.632 -5.558 1.00 24.41 H new ATOM 0 HE3 LYS A 39 -23.632 -5.178 -6.754 1.00 24.41 H new ATOM 0 HZ1 LYS A 39 -24.630 -6.397 -4.932 1.00 73.21 H new ATOM 0 HZ2 LYS A 39 -24.773 -7.286 -6.372 1.00 73.21 H new ATOM 0 HZ3 LYS A 39 -23.612 -7.726 -5.213 1.00 73.21 H new ATOM 599 N GLU A 40 -18.574 -5.326 -10.297 1.00 25.42 N ATOM 600 CA GLU A 40 -18.395 -5.359 -11.744 1.00 30.24 C ATOM 601 C GLU A 40 -17.115 -6.102 -12.117 1.00 53.32 C ATOM 602 O GLU A 40 -17.030 -6.719 -13.180 1.00 21.34 O ATOM 603 CB GLU A 40 -18.356 -3.937 -12.307 1.00 63.23 C ATOM 604 CG GLU A 40 -19.430 -3.027 -11.737 1.00 51.52 C ATOM 605 CD GLU A 40 -20.830 -3.462 -12.124 1.00 61.32 C ATOM 606 OE1 GLU A 40 -21.264 -3.132 -13.248 1.00 20.02 O ATOM 607 OE2 GLU A 40 -21.491 -4.133 -11.304 1.00 53.33 O ATOM 0 H GLU A 40 -18.336 -4.434 -9.862 1.00 25.42 H new ATOM 0 HA GLU A 40 -19.242 -5.891 -12.178 1.00 30.24 H new ATOM 0 HB2 GLU A 40 -17.378 -3.502 -12.104 1.00 63.23 H new ATOM 0 HB3 GLU A 40 -18.467 -3.981 -13.390 1.00 63.23 H new ATOM 0 HG2 GLU A 40 -19.347 -3.009 -10.650 1.00 51.52 H new ATOM 0 HG3 GLU A 40 -19.261 -2.008 -12.086 1.00 51.52 H new ATOM 614 N LEU A 41 -16.122 -6.037 -11.237 1.00 54.42 N ATOM 615 CA LEU A 41 -14.846 -6.702 -11.473 1.00 42.04 C ATOM 616 C LEU A 41 -15.036 -8.208 -11.619 1.00 24.54 C ATOM 617 O LEU A 41 -14.382 -8.851 -12.440 1.00 10.53 O ATOM 618 CB LEU A 41 -13.875 -6.407 -10.329 1.00 1.22 C ATOM 619 CG LEU A 41 -12.493 -7.053 -10.437 1.00 51.53 C ATOM 620 CD1 LEU A 41 -11.973 -6.963 -11.864 1.00 22.45 C ATOM 621 CD2 LEU A 41 -11.520 -6.395 -9.470 1.00 45.44 C ATOM 0 H LEU A 41 -16.176 -5.530 -10.353 1.00 54.42 H new ATOM 0 HA LEU A 41 -14.429 -6.315 -12.403 1.00 42.04 H new ATOM 0 HB2 LEU A 41 -13.745 -5.327 -10.259 1.00 1.22 H new ATOM 0 HB3 LEU A 41 -14.334 -6.733 -9.396 1.00 1.22 H new ATOM 0 HG LEU A 41 -12.582 -8.106 -10.170 1.00 51.53 H new ATOM 0 HD11 LEU A 41 -10.989 -7.428 -11.923 1.00 22.45 H new ATOM 0 HD12 LEU A 41 -12.659 -7.481 -12.535 1.00 22.45 H new ATOM 0 HD13 LEU A 41 -11.898 -5.916 -12.159 1.00 22.45 H new ATOM 0 HD21 LEU A 41 -10.542 -6.867 -9.560 1.00 45.44 H new ATOM 0 HD22 LEU A 41 -11.434 -5.334 -9.706 1.00 45.44 H new ATOM 0 HD23 LEU A 41 -11.886 -6.511 -8.450 1.00 45.44 H new ATOM 633 N GLY A 42 -15.937 -8.766 -10.816 1.00 72.52 N ATOM 634 CA GLY A 42 -16.199 -10.193 -10.873 1.00 3.23 C ATOM 635 C GLY A 42 -16.695 -10.638 -12.234 1.00 51.20 C ATOM 636 O GLY A 42 -16.399 -11.747 -12.680 1.00 3.43 O ATOM 0 H GLY A 42 -16.490 -8.256 -10.127 1.00 72.52 H new ATOM 0 HA2 GLY A 42 -15.287 -10.737 -10.627 1.00 3.23 H new ATOM 0 HA3 GLY A 42 -16.940 -10.454 -10.117 1.00 3.23 H new ATOM 640 N LYS A 43 -17.455 -9.772 -12.897 1.00 25.30 N ATOM 641 CA LYS A 43 -17.995 -10.081 -14.216 1.00 4.03 C ATOM 642 C LYS A 43 -16.873 -10.280 -15.230 1.00 61.01 C ATOM 643 O LYS A 43 -16.832 -11.288 -15.935 1.00 25.51 O ATOM 644 CB LYS A 43 -18.926 -8.960 -14.683 1.00 73.40 C ATOM 645 CG LYS A 43 -20.349 -9.099 -14.171 1.00 33.23 C ATOM 646 CD LYS A 43 -20.475 -8.617 -12.735 1.00 63.21 C ATOM 647 CE LYS A 43 -21.812 -9.013 -12.129 1.00 74.00 C ATOM 648 NZ LYS A 43 -22.913 -8.119 -12.583 1.00 53.20 N ATOM 0 H LYS A 43 -17.711 -8.851 -12.542 1.00 25.30 H new ATOM 0 HA LYS A 43 -18.562 -11.009 -14.141 1.00 4.03 H new ATOM 0 HB2 LYS A 43 -18.522 -8.003 -14.354 1.00 73.40 H new ATOM 0 HB3 LYS A 43 -18.941 -8.942 -15.773 1.00 73.40 H new ATOM 0 HG2 LYS A 43 -21.023 -8.527 -14.808 1.00 33.23 H new ATOM 0 HG3 LYS A 43 -20.659 -10.142 -14.234 1.00 33.23 H new ATOM 0 HD2 LYS A 43 -19.665 -9.036 -12.137 1.00 63.21 H new ATOM 0 HD3 LYS A 43 -20.367 -7.533 -12.703 1.00 63.21 H new ATOM 0 HE2 LYS A 43 -22.044 -10.042 -12.402 1.00 74.00 H new ATOM 0 HE3 LYS A 43 -21.742 -8.980 -11.042 1.00 74.00 H new ATOM 0 HZ1 LYS A 43 -23.808 -8.422 -12.148 1.00 53.20 H new ATOM 0 HZ2 LYS A 43 -22.704 -7.140 -12.300 1.00 53.20 H new ATOM 0 HZ3 LYS A 43 -22.997 -8.170 -13.618 1.00 53.20 H new ATOM 662 N VAL A 44 -15.964 -9.313 -15.298 1.00 3.43 N ATOM 663 CA VAL A 44 -14.840 -9.383 -16.224 1.00 21.11 C ATOM 664 C VAL A 44 -14.096 -10.707 -16.086 1.00 54.12 C ATOM 665 O VAL A 44 -13.544 -11.224 -17.057 1.00 34.11 O ATOM 666 CB VAL A 44 -13.851 -8.225 -15.995 1.00 65.02 C ATOM 667 CG1 VAL A 44 -12.670 -8.335 -16.948 1.00 51.21 C ATOM 668 CG2 VAL A 44 -14.553 -6.885 -16.156 1.00 21.24 C ATOM 0 H VAL A 44 -15.984 -8.471 -14.722 1.00 3.43 H new ATOM 0 HA VAL A 44 -15.253 -9.305 -17.230 1.00 21.11 H new ATOM 0 HB VAL A 44 -13.472 -8.291 -14.975 1.00 65.02 H new ATOM 0 HG11 VAL A 44 -11.982 -7.508 -16.772 1.00 51.21 H new ATOM 0 HG12 VAL A 44 -12.153 -9.280 -16.779 1.00 51.21 H new ATOM 0 HG13 VAL A 44 -13.028 -8.296 -17.977 1.00 51.21 H new ATOM 0 HG21 VAL A 44 -13.839 -6.078 -15.991 1.00 21.24 H new ATOM 0 HG22 VAL A 44 -14.962 -6.807 -17.163 1.00 21.24 H new ATOM 0 HG23 VAL A 44 -15.362 -6.808 -15.429 1.00 21.24 H new ATOM 678 N MET A 45 -14.087 -11.250 -14.873 1.00 62.55 N ATOM 679 CA MET A 45 -13.412 -12.516 -14.609 1.00 72.00 C ATOM 680 C MET A 45 -13.861 -13.588 -15.597 1.00 30.11 C ATOM 681 O MET A 45 -13.076 -14.451 -15.990 1.00 44.32 O ATOM 682 CB MET A 45 -13.690 -12.977 -13.177 1.00 30.11 C ATOM 683 CG MET A 45 -13.464 -11.894 -12.135 1.00 5.30 C ATOM 684 SD MET A 45 -11.831 -11.139 -12.261 1.00 41.03 S ATOM 685 CE MET A 45 -10.803 -12.590 -12.480 1.00 13.41 C ATOM 0 H MET A 45 -14.539 -10.834 -14.058 1.00 62.55 H new ATOM 0 HA MET A 45 -12.340 -12.360 -14.732 1.00 72.00 H new ATOM 0 HB2 MET A 45 -14.721 -13.325 -13.110 1.00 30.11 H new ATOM 0 HB3 MET A 45 -13.050 -13.829 -12.948 1.00 30.11 H new ATOM 0 HG2 MET A 45 -14.226 -11.123 -12.247 1.00 5.30 H new ATOM 0 HG3 MET A 45 -13.587 -12.321 -11.140 1.00 5.30 H new ATOM 0 HE1 MET A 45 -9.755 -12.315 -12.360 1.00 13.41 H new ATOM 0 HE2 MET A 45 -11.069 -13.340 -11.735 1.00 13.41 H new ATOM 0 HE3 MET A 45 -10.959 -12.999 -13.478 1.00 13.41 H new ATOM 695 N ARG A 46 -15.128 -13.528 -15.993 1.00 50.04 N ATOM 696 CA ARG A 46 -15.681 -14.495 -16.934 1.00 41.12 C ATOM 697 C ARG A 46 -14.924 -14.459 -18.258 1.00 63.15 C ATOM 698 O ARG A 46 -14.576 -15.501 -18.814 1.00 42.40 O ATOM 699 CB ARG A 46 -17.165 -14.213 -17.175 1.00 40.22 C ATOM 700 CG ARG A 46 -18.042 -14.490 -15.965 1.00 41.31 C ATOM 701 CD ARG A 46 -19.240 -13.554 -15.920 1.00 32.54 C ATOM 702 NE ARG A 46 -20.501 -14.272 -16.088 1.00 51.20 N ATOM 703 CZ ARG A 46 -20.981 -14.648 -17.268 1.00 42.43 C ATOM 704 NH1 ARG A 46 -20.308 -14.376 -18.378 1.00 51.11 N ATOM 705 NH2 ARG A 46 -22.136 -15.297 -17.340 1.00 63.12 N ATOM 0 H ARG A 46 -15.791 -12.820 -15.677 1.00 50.04 H new ATOM 0 HA ARG A 46 -15.573 -15.489 -16.500 1.00 41.12 H new ATOM 0 HB2 ARG A 46 -17.285 -13.170 -17.469 1.00 40.22 H new ATOM 0 HB3 ARG A 46 -17.511 -14.821 -18.011 1.00 40.22 H new ATOM 0 HG2 ARG A 46 -18.387 -15.524 -15.993 1.00 41.31 H new ATOM 0 HG3 ARG A 46 -17.454 -14.375 -15.054 1.00 41.31 H new ATOM 0 HD2 ARG A 46 -19.249 -13.022 -14.968 1.00 32.54 H new ATOM 0 HD3 ARG A 46 -19.143 -12.803 -16.704 1.00 32.54 H new ATOM 0 HE ARG A 46 -21.043 -14.497 -15.253 1.00 51.20 H new ATOM 0 HH11 ARG A 46 -19.420 -13.877 -18.327 1.00 51.11 H new ATOM 0 HH12 ARG A 46 -20.679 -14.666 -19.283 1.00 51.11 H new ATOM 0 HH21 ARG A 46 -22.657 -15.508 -16.488 1.00 63.12 H new ATOM 0 HH22 ARG A 46 -22.503 -15.585 -18.247 1.00 63.12 H new ATOM 719 N MET A 47 -14.673 -13.253 -18.758 1.00 62.53 N ATOM 720 CA MET A 47 -13.956 -13.082 -20.017 1.00 34.40 C ATOM 721 C MET A 47 -12.524 -13.594 -19.901 1.00 51.01 C ATOM 722 O MET A 47 -11.944 -14.072 -20.877 1.00 30.21 O ATOM 723 CB MET A 47 -13.952 -11.609 -20.430 1.00 74.30 C ATOM 724 CG MET A 47 -15.313 -10.942 -20.313 1.00 1.54 C ATOM 725 SD MET A 47 -15.372 -9.337 -21.133 1.00 0.35 S ATOM 726 CE MET A 47 -16.958 -8.726 -20.567 1.00 3.32 C ATOM 0 H MET A 47 -14.955 -12.381 -18.311 1.00 62.53 H new ATOM 0 HA MET A 47 -14.470 -13.665 -20.781 1.00 34.40 H new ATOM 0 HB2 MET A 47 -13.237 -11.068 -19.810 1.00 74.30 H new ATOM 0 HB3 MET A 47 -13.605 -11.530 -21.460 1.00 74.30 H new ATOM 0 HG2 MET A 47 -16.072 -11.595 -20.745 1.00 1.54 H new ATOM 0 HG3 MET A 47 -15.563 -10.817 -19.259 1.00 1.54 H new ATOM 0 HE1 MET A 47 -17.139 -7.738 -20.990 1.00 3.32 H new ATOM 0 HE2 MET A 47 -17.746 -9.408 -20.887 1.00 3.32 H new ATOM 0 HE3 MET A 47 -16.955 -8.660 -19.479 1.00 3.32 H new ATOM 736 N LEU A 48 -11.959 -13.490 -18.704 1.00 23.25 N ATOM 737 CA LEU A 48 -10.593 -13.942 -18.460 1.00 72.43 C ATOM 738 C LEU A 48 -10.526 -15.465 -18.404 1.00 22.22 C ATOM 739 O LEU A 48 -9.481 -16.061 -18.664 1.00 53.45 O ATOM 740 CB LEU A 48 -10.063 -13.348 -17.154 1.00 73.22 C ATOM 741 CG LEU A 48 -10.016 -11.822 -17.082 1.00 4.41 C ATOM 742 CD1 LEU A 48 -9.452 -11.368 -15.744 1.00 54.11 C ATOM 743 CD2 LEU A 48 -9.189 -11.259 -18.229 1.00 40.00 C ATOM 0 H LEU A 48 -12.425 -13.097 -17.886 1.00 23.25 H new ATOM 0 HA LEU A 48 -9.970 -13.599 -19.286 1.00 72.43 H new ATOM 0 HB2 LEU A 48 -10.683 -13.712 -16.335 1.00 73.22 H new ATOM 0 HB3 LEU A 48 -9.056 -13.731 -16.986 1.00 73.22 H new ATOM 0 HG LEU A 48 -11.033 -11.442 -17.173 1.00 4.41 H new ATOM 0 HD11 LEU A 48 -9.426 -10.279 -15.711 1.00 54.11 H new ATOM 0 HD12 LEU A 48 -10.084 -11.741 -14.938 1.00 54.11 H new ATOM 0 HD13 LEU A 48 -8.442 -11.759 -15.624 1.00 54.11 H new ATOM 0 HD21 LEU A 48 -9.167 -10.171 -18.162 1.00 40.00 H new ATOM 0 HD22 LEU A 48 -8.172 -11.647 -18.169 1.00 40.00 H new ATOM 0 HD23 LEU A 48 -9.635 -11.555 -19.179 1.00 40.00 H new ATOM 755 N GLY A 49 -11.649 -16.090 -18.063 1.00 61.12 N ATOM 756 CA GLY A 49 -11.696 -17.538 -17.981 1.00 34.22 C ATOM 757 C GLY A 49 -11.803 -18.034 -16.552 1.00 70.55 C ATOM 758 O GLY A 49 -11.572 -19.212 -16.280 1.00 23.04 O ATOM 0 H GLY A 49 -12.527 -15.619 -17.842 1.00 61.12 H new ATOM 0 HA2 GLY A 49 -12.548 -17.904 -18.554 1.00 34.22 H new ATOM 0 HA3 GLY A 49 -10.800 -17.954 -18.441 1.00 34.22 H new ATOM 762 N GLN A 50 -12.152 -17.134 -15.639 1.00 74.13 N ATOM 763 CA GLN A 50 -12.286 -17.487 -14.231 1.00 73.50 C ATOM 764 C GLN A 50 -13.589 -16.943 -13.655 1.00 1.44 C ATOM 765 O GLN A 50 -14.149 -15.975 -14.167 1.00 41.25 O ATOM 766 CB GLN A 50 -11.097 -16.949 -13.433 1.00 73.52 C ATOM 767 CG GLN A 50 -9.769 -17.576 -13.824 1.00 63.22 C ATOM 768 CD GLN A 50 -8.597 -16.636 -13.620 1.00 52.21 C ATOM 769 OE1 GLN A 50 -8.130 -15.995 -14.562 1.00 5.34 O ATOM 770 NE2 GLN A 50 -8.116 -16.548 -12.386 1.00 32.25 N ATOM 0 H GLN A 50 -12.347 -16.155 -15.849 1.00 74.13 H new ATOM 0 HA GLN A 50 -12.303 -18.574 -14.155 1.00 73.50 H new ATOM 0 HB2 GLN A 50 -11.035 -15.870 -13.572 1.00 73.52 H new ATOM 0 HB3 GLN A 50 -11.273 -17.124 -12.372 1.00 73.52 H new ATOM 0 HG2 GLN A 50 -9.611 -18.480 -13.236 1.00 63.22 H new ATOM 0 HG3 GLN A 50 -9.809 -17.879 -14.870 1.00 63.22 H new ATOM 0 HE21 GLN A 50 -8.534 -17.098 -11.635 1.00 32.25 H new ATOM 0 HE22 GLN A 50 -7.328 -15.931 -12.188 1.00 32.25 H new ATOM 779 N ASN A 51 -14.066 -17.572 -12.585 1.00 42.52 N ATOM 780 CA ASN A 51 -15.304 -17.150 -11.939 1.00 63.04 C ATOM 781 C ASN A 51 -15.198 -17.280 -10.423 1.00 4.50 C ATOM 782 O ASN A 51 -15.859 -18.109 -9.798 1.00 64.31 O ATOM 783 CB ASN A 51 -16.480 -17.983 -12.453 1.00 12.34 C ATOM 784 CG ASN A 51 -16.379 -18.273 -13.938 1.00 10.14 C ATOM 785 OD1 ASN A 51 -15.558 -19.083 -14.369 1.00 0.34 O ATOM 786 ND2 ASN A 51 -17.216 -17.611 -14.728 1.00 42.30 N ATOM 0 H ASN A 51 -13.614 -18.375 -12.147 1.00 42.52 H new ATOM 0 HA ASN A 51 -15.475 -16.102 -12.184 1.00 63.04 H new ATOM 0 HB2 ASN A 51 -16.522 -18.924 -11.904 1.00 12.34 H new ATOM 0 HB3 ASN A 51 -17.412 -17.454 -12.252 1.00 12.34 H new ATOM 0 HD21 ASN A 51 -17.195 -17.765 -15.736 1.00 42.30 H new ATOM 0 HD22 ASN A 51 -17.880 -16.949 -14.327 1.00 42.30 H new ATOM 793 N PRO A 52 -14.346 -16.440 -9.816 1.00 14.45 N ATOM 794 CA PRO A 52 -14.134 -16.439 -8.365 1.00 72.51 C ATOM 795 C PRO A 52 -15.347 -15.918 -7.602 1.00 31.21 C ATOM 796 O PRO A 52 -16.175 -15.191 -8.152 1.00 1.11 O ATOM 797 CB PRO A 52 -12.941 -15.498 -8.181 1.00 55.11 C ATOM 798 CG PRO A 52 -12.985 -14.596 -9.366 1.00 65.01 C ATOM 799 CD PRO A 52 -13.526 -15.425 -10.498 1.00 1.11 C ATOM 0 HA PRO A 52 -13.965 -17.444 -7.977 1.00 72.51 H new ATOM 0 HB2 PRO A 52 -13.021 -14.935 -7.251 1.00 55.11 H new ATOM 0 HB3 PRO A 52 -12.003 -16.051 -8.139 1.00 55.11 H new ATOM 0 HG2 PRO A 52 -13.622 -13.732 -9.176 1.00 65.01 H new ATOM 0 HG3 PRO A 52 -11.992 -14.214 -9.602 1.00 65.01 H new ATOM 0 HD2 PRO A 52 -14.120 -14.825 -11.187 1.00 1.11 H new ATOM 0 HD3 PRO A 52 -12.725 -15.880 -11.081 1.00 1.11 H new ATOM 807 N THR A 53 -15.447 -16.294 -6.330 1.00 41.15 N ATOM 808 CA THR A 53 -16.559 -15.865 -5.492 1.00 1.22 C ATOM 809 C THR A 53 -16.587 -14.347 -5.350 1.00 21.31 C ATOM 810 O THR A 53 -15.589 -13.661 -5.569 1.00 43.41 O ATOM 811 CB THR A 53 -16.483 -16.499 -4.090 1.00 43.20 C ATOM 812 OG1 THR A 53 -15.125 -16.827 -3.774 1.00 72.21 O ATOM 813 CG2 THR A 53 -17.343 -17.751 -4.015 1.00 13.11 C ATOM 0 H THR A 53 -14.771 -16.895 -5.859 1.00 41.15 H new ATOM 0 HA THR A 53 -17.473 -16.198 -5.984 1.00 1.22 H new ATOM 0 HB THR A 53 -16.859 -15.775 -3.367 1.00 43.20 H new ATOM 0 HG1 THR A 53 -15.101 -17.368 -2.958 1.00 72.21 H new ATOM 0 HG21 THR A 53 -17.273 -18.181 -3.016 1.00 13.11 H new ATOM 0 HG22 THR A 53 -18.380 -17.493 -4.227 1.00 13.11 H new ATOM 0 HG23 THR A 53 -16.992 -18.478 -4.748 1.00 13.11 H new ATOM 821 N PRO A 54 -17.756 -13.809 -4.974 1.00 13.23 N ATOM 822 CA PRO A 54 -17.942 -12.366 -4.793 1.00 3.12 C ATOM 823 C PRO A 54 -17.193 -11.833 -3.576 1.00 30.43 C ATOM 824 O PRO A 54 -16.487 -10.829 -3.661 1.00 60.31 O ATOM 825 CB PRO A 54 -19.453 -12.224 -4.595 1.00 20.50 C ATOM 826 CG PRO A 54 -19.890 -13.545 -4.062 1.00 35.01 C ATOM 827 CD PRO A 54 -18.988 -14.567 -4.695 1.00 64.14 C ATOM 0 HA PRO A 54 -17.554 -11.797 -5.638 1.00 3.12 H new ATOM 0 HB2 PRO A 54 -19.687 -11.419 -3.899 1.00 20.50 H new ATOM 0 HB3 PRO A 54 -19.955 -11.990 -5.534 1.00 20.50 H new ATOM 0 HG2 PRO A 54 -19.809 -13.573 -2.975 1.00 35.01 H new ATOM 0 HG3 PRO A 54 -20.934 -13.739 -4.309 1.00 35.01 H new ATOM 0 HD2 PRO A 54 -18.800 -15.407 -4.026 1.00 64.14 H new ATOM 0 HD3 PRO A 54 -19.423 -14.977 -5.607 1.00 64.14 H new ATOM 835 N GLU A 55 -17.352 -12.513 -2.444 1.00 73.25 N ATOM 836 CA GLU A 55 -16.691 -12.107 -1.210 1.00 43.32 C ATOM 837 C GLU A 55 -15.174 -12.208 -1.347 1.00 32.31 C ATOM 838 O GLU A 55 -14.433 -11.437 -0.738 1.00 74.02 O ATOM 839 CB GLU A 55 -17.167 -12.971 -0.041 1.00 75.22 C ATOM 840 CG GLU A 55 -18.516 -12.550 0.517 1.00 53.20 C ATOM 841 CD GLU A 55 -18.437 -12.115 1.967 1.00 13.25 C ATOM 842 OE1 GLU A 55 -17.788 -12.823 2.765 1.00 15.13 O ATOM 843 OE2 GLU A 55 -19.025 -11.065 2.304 1.00 23.32 O ATOM 0 H GLU A 55 -17.933 -13.347 -2.357 1.00 73.25 H new ATOM 0 HA GLU A 55 -16.953 -11.067 -1.013 1.00 43.32 H new ATOM 0 HB2 GLU A 55 -17.226 -14.009 -0.368 1.00 75.22 H new ATOM 0 HB3 GLU A 55 -16.425 -12.930 0.756 1.00 75.22 H new ATOM 0 HG2 GLU A 55 -18.914 -11.731 -0.083 1.00 53.20 H new ATOM 0 HG3 GLU A 55 -19.217 -13.380 0.428 1.00 53.20 H new ATOM 850 N GLU A 56 -14.721 -13.166 -2.150 1.00 10.11 N ATOM 851 CA GLU A 56 -13.293 -13.369 -2.365 1.00 72.31 C ATOM 852 C GLU A 56 -12.680 -12.183 -3.103 1.00 41.13 C ATOM 853 O GLU A 56 -11.557 -11.769 -2.813 1.00 24.53 O ATOM 854 CB GLU A 56 -13.052 -14.656 -3.157 1.00 34.43 C ATOM 855 CG GLU A 56 -12.781 -15.868 -2.281 1.00 5.22 C ATOM 856 CD GLU A 56 -11.332 -15.957 -1.841 1.00 50.52 C ATOM 857 OE1 GLU A 56 -10.447 -15.564 -2.630 1.00 0.35 O ATOM 858 OE2 GLU A 56 -11.084 -16.419 -0.708 1.00 0.02 O ATOM 0 H GLU A 56 -15.321 -13.813 -2.662 1.00 10.11 H new ATOM 0 HA GLU A 56 -12.814 -13.455 -1.390 1.00 72.31 H new ATOM 0 HB2 GLU A 56 -13.923 -14.857 -3.781 1.00 34.43 H new ATOM 0 HB3 GLU A 56 -12.206 -14.507 -3.828 1.00 34.43 H new ATOM 0 HG2 GLU A 56 -13.422 -15.826 -1.401 1.00 5.22 H new ATOM 0 HG3 GLU A 56 -13.047 -16.773 -2.827 1.00 5.22 H new ATOM 865 N LEU A 57 -13.425 -11.640 -4.060 1.00 2.22 N ATOM 866 CA LEU A 57 -12.955 -10.501 -4.841 1.00 55.13 C ATOM 867 C LEU A 57 -12.553 -9.345 -3.931 1.00 40.22 C ATOM 868 O LEU A 57 -11.428 -8.851 -4.001 1.00 23.45 O ATOM 869 CB LEU A 57 -14.042 -10.043 -5.816 1.00 32.32 C ATOM 870 CG LEU A 57 -14.305 -10.964 -7.008 1.00 54.31 C ATOM 871 CD1 LEU A 57 -15.793 -11.021 -7.320 1.00 22.21 C ATOM 872 CD2 LEU A 57 -13.521 -10.497 -8.226 1.00 1.14 C ATOM 0 H LEU A 57 -14.356 -11.970 -4.314 1.00 2.22 H new ATOM 0 HA LEU A 57 -12.078 -10.816 -5.406 1.00 55.13 H new ATOM 0 HB2 LEU A 57 -14.973 -9.924 -5.262 1.00 32.32 H new ATOM 0 HB3 LEU A 57 -13.770 -9.058 -6.196 1.00 32.32 H new ATOM 0 HG LEU A 57 -13.970 -11.968 -6.748 1.00 54.31 H new ATOM 0 HD11 LEU A 57 -15.961 -11.681 -8.171 1.00 22.21 H new ATOM 0 HD12 LEU A 57 -16.332 -11.402 -6.453 1.00 22.21 H new ATOM 0 HD13 LEU A 57 -16.153 -10.021 -7.560 1.00 22.21 H new ATOM 0 HD21 LEU A 57 -13.720 -11.164 -9.065 1.00 1.14 H new ATOM 0 HD22 LEU A 57 -13.825 -9.484 -8.488 1.00 1.14 H new ATOM 0 HD23 LEU A 57 -12.455 -10.508 -7.999 1.00 1.14 H new ATOM 884 N GLN A 58 -13.479 -8.920 -3.078 1.00 53.00 N ATOM 885 CA GLN A 58 -13.220 -7.823 -2.153 1.00 63.02 C ATOM 886 C GLN A 58 -12.063 -8.161 -1.219 1.00 24.01 C ATOM 887 O GLN A 58 -11.394 -7.270 -0.697 1.00 1.30 O ATOM 888 CB GLN A 58 -14.475 -7.508 -1.337 1.00 65.30 C ATOM 889 CG GLN A 58 -14.218 -6.583 -0.159 1.00 3.51 C ATOM 890 CD GLN A 58 -13.718 -5.217 -0.588 1.00 23.23 C ATOM 891 OE1 GLN A 58 -14.385 -4.507 -1.340 1.00 53.02 O ATOM 892 NE2 GLN A 58 -12.537 -4.842 -0.110 1.00 1.10 N ATOM 0 H GLN A 58 -14.415 -9.319 -3.008 1.00 53.00 H new ATOM 0 HA GLN A 58 -12.946 -6.945 -2.738 1.00 63.02 H new ATOM 0 HB2 GLN A 58 -15.218 -7.052 -1.991 1.00 65.30 H new ATOM 0 HB3 GLN A 58 -14.903 -8.441 -0.969 1.00 65.30 H new ATOM 0 HG2 GLN A 58 -15.138 -6.466 0.413 1.00 3.51 H new ATOM 0 HG3 GLN A 58 -13.486 -7.042 0.505 1.00 3.51 H new ATOM 0 HE21 GLN A 58 -12.018 -5.463 0.511 1.00 1.10 H new ATOM 0 HE22 GLN A 58 -12.149 -3.933 -0.364 1.00 1.10 H new ATOM 901 N GLU A 59 -11.833 -9.454 -1.013 1.00 31.23 N ATOM 902 CA GLU A 59 -10.757 -9.909 -0.140 1.00 11.32 C ATOM 903 C GLU A 59 -9.403 -9.415 -0.643 1.00 35.52 C ATOM 904 O GLU A 59 -8.646 -8.787 0.096 1.00 14.03 O ATOM 905 CB GLU A 59 -10.754 -11.436 -0.050 1.00 33.13 C ATOM 906 CG GLU A 59 -10.132 -11.969 1.230 1.00 33.21 C ATOM 907 CD GLU A 59 -9.866 -13.461 1.172 1.00 43.22 C ATOM 908 OE1 GLU A 59 -8.873 -13.861 0.528 1.00 51.32 O ATOM 909 OE2 GLU A 59 -10.649 -14.228 1.769 1.00 10.14 O ATOM 0 H GLU A 59 -12.377 -10.205 -1.438 1.00 31.23 H new ATOM 0 HA GLU A 59 -10.930 -9.495 0.853 1.00 11.32 H new ATOM 0 HB2 GLU A 59 -11.780 -11.798 -0.124 1.00 33.13 H new ATOM 0 HB3 GLU A 59 -10.211 -11.841 -0.904 1.00 33.13 H new ATOM 0 HG2 GLU A 59 -9.196 -11.444 1.421 1.00 33.21 H new ATOM 0 HG3 GLU A 59 -10.795 -11.754 2.068 1.00 33.21 H new ATOM 916 N MET A 60 -9.106 -9.706 -1.905 1.00 73.02 N ATOM 917 CA MET A 60 -7.844 -9.292 -2.508 1.00 15.24 C ATOM 918 C MET A 60 -7.796 -7.777 -2.681 1.00 73.01 C ATOM 919 O MET A 60 -6.730 -7.167 -2.598 1.00 22.34 O ATOM 920 CB MET A 60 -7.651 -9.978 -3.861 1.00 73.21 C ATOM 921 CG MET A 60 -8.796 -9.739 -4.833 1.00 23.24 C ATOM 922 SD MET A 60 -8.415 -10.297 -6.505 1.00 13.34 S ATOM 923 CE MET A 60 -8.318 -12.068 -6.257 1.00 42.10 C ATOM 0 H MET A 60 -9.721 -10.227 -2.530 1.00 73.02 H new ATOM 0 HA MET A 60 -7.036 -9.590 -1.840 1.00 15.24 H new ATOM 0 HB2 MET A 60 -6.724 -9.623 -4.310 1.00 73.21 H new ATOM 0 HB3 MET A 60 -7.538 -11.050 -3.702 1.00 73.21 H new ATOM 0 HG2 MET A 60 -9.686 -10.257 -4.475 1.00 23.24 H new ATOM 0 HG3 MET A 60 -9.034 -8.675 -4.854 1.00 23.24 H new ATOM 0 HE1 MET A 60 -8.266 -12.568 -7.224 1.00 42.10 H new ATOM 0 HE2 MET A 60 -7.427 -12.306 -5.676 1.00 42.10 H new ATOM 0 HE3 MET A 60 -9.203 -12.409 -5.719 1.00 42.10 H new ATOM 933 N ILE A 61 -8.957 -7.177 -2.923 1.00 44.50 N ATOM 934 CA ILE A 61 -9.045 -5.733 -3.107 1.00 75.32 C ATOM 935 C ILE A 61 -8.771 -4.995 -1.802 1.00 10.43 C ATOM 936 O ILE A 61 -8.381 -3.827 -1.807 1.00 54.24 O ATOM 937 CB ILE A 61 -10.430 -5.318 -3.638 1.00 13.32 C ATOM 938 CG1 ILE A 61 -10.653 -5.883 -5.042 1.00 53.00 C ATOM 939 CG2 ILE A 61 -10.562 -3.802 -3.644 1.00 31.11 C ATOM 940 CD1 ILE A 61 -11.989 -5.502 -5.642 1.00 21.45 C ATOM 0 H ILE A 61 -9.848 -7.667 -2.996 1.00 44.50 H new ATOM 0 HA ILE A 61 -8.286 -5.461 -3.841 1.00 75.32 H new ATOM 0 HB ILE A 61 -11.194 -5.728 -2.977 1.00 13.32 H new ATOM 0 HG12 ILE A 61 -9.856 -5.531 -5.697 1.00 53.00 H new ATOM 0 HG13 ILE A 61 -10.578 -6.970 -5.004 1.00 53.00 H new ATOM 0 HG21 ILE A 61 -11.546 -3.524 -4.022 1.00 31.11 H new ATOM 0 HG22 ILE A 61 -10.442 -3.422 -2.629 1.00 31.11 H new ATOM 0 HG23 ILE A 61 -9.792 -3.372 -4.285 1.00 31.11 H new ATOM 0 HD11 ILE A 61 -12.078 -5.937 -6.637 1.00 21.45 H new ATOM 0 HD12 ILE A 61 -12.793 -5.877 -5.009 1.00 21.45 H new ATOM 0 HD13 ILE A 61 -12.060 -4.417 -5.713 1.00 21.45 H new ATOM 952 N ASP A 62 -8.975 -5.684 -0.684 1.00 52.45 N ATOM 953 CA ASP A 62 -8.747 -5.094 0.630 1.00 70.22 C ATOM 954 C ASP A 62 -7.266 -4.798 0.843 1.00 62.03 C ATOM 955 O ASP A 62 -6.895 -3.692 1.234 1.00 42.24 O ATOM 956 CB ASP A 62 -9.256 -6.030 1.727 1.00 24.23 C ATOM 957 CG ASP A 62 -9.015 -5.477 3.118 1.00 42.51 C ATOM 958 OD1 ASP A 62 -7.862 -5.545 3.592 1.00 45.44 O ATOM 959 OD2 ASP A 62 -9.980 -4.976 3.733 1.00 42.21 O ATOM 0 H ASP A 62 -9.298 -6.651 -0.662 1.00 52.45 H new ATOM 0 HA ASP A 62 -9.297 -4.154 0.680 1.00 70.22 H new ATOM 0 HB2 ASP A 62 -10.323 -6.202 1.587 1.00 24.23 H new ATOM 0 HB3 ASP A 62 -8.762 -6.997 1.633 1.00 24.23 H new ATOM 964 N GLU A 63 -6.425 -5.795 0.584 1.00 41.43 N ATOM 965 CA GLU A 63 -4.984 -5.640 0.749 1.00 34.22 C ATOM 966 C GLU A 63 -4.408 -4.725 -0.327 1.00 51.21 C ATOM 967 O GLU A 63 -3.347 -4.128 -0.147 1.00 42.50 O ATOM 968 CB GLU A 63 -4.294 -7.004 0.697 1.00 24.54 C ATOM 969 CG GLU A 63 -3.458 -7.311 1.929 1.00 42.21 C ATOM 970 CD GLU A 63 -2.269 -8.201 1.621 1.00 54.32 C ATOM 971 OE1 GLU A 63 -2.329 -8.946 0.620 1.00 3.45 O ATOM 972 OE2 GLU A 63 -1.280 -8.152 2.381 1.00 45.41 O ATOM 0 H GLU A 63 -6.716 -6.717 0.260 1.00 41.43 H new ATOM 0 HA GLU A 63 -4.802 -5.185 1.723 1.00 34.22 H new ATOM 0 HB2 GLU A 63 -5.050 -7.780 0.579 1.00 24.54 H new ATOM 0 HB3 GLU A 63 -3.655 -7.045 -0.185 1.00 24.54 H new ATOM 0 HG2 GLU A 63 -3.104 -6.377 2.365 1.00 42.21 H new ATOM 0 HG3 GLU A 63 -4.085 -7.795 2.678 1.00 42.21 H new ATOM 979 N VAL A 64 -5.116 -4.620 -1.448 1.00 24.23 N ATOM 980 CA VAL A 64 -4.676 -3.778 -2.554 1.00 1.25 C ATOM 981 C VAL A 64 -5.037 -2.317 -2.309 1.00 3.03 C ATOM 982 O VAL A 64 -4.203 -1.426 -2.469 1.00 42.44 O ATOM 983 CB VAL A 64 -5.298 -4.232 -3.887 1.00 73.41 C ATOM 984 CG1 VAL A 64 -4.917 -3.277 -5.007 1.00 55.45 C ATOM 985 CG2 VAL A 64 -4.868 -5.653 -4.218 1.00 73.53 C ATOM 0 H VAL A 64 -5.996 -5.108 -1.614 1.00 24.23 H new ATOM 0 HA VAL A 64 -3.592 -3.877 -2.615 1.00 1.25 H new ATOM 0 HB VAL A 64 -6.383 -4.219 -3.785 1.00 73.41 H new ATOM 0 HG11 VAL A 64 -5.366 -3.614 -5.941 1.00 55.45 H new ATOM 0 HG12 VAL A 64 -5.279 -2.276 -4.771 1.00 55.45 H new ATOM 0 HG13 VAL A 64 -3.832 -3.255 -5.113 1.00 55.45 H new ATOM 0 HG21 VAL A 64 -5.317 -5.958 -5.163 1.00 73.53 H new ATOM 0 HG22 VAL A 64 -3.782 -5.694 -4.302 1.00 73.53 H new ATOM 0 HG23 VAL A 64 -5.197 -6.326 -3.426 1.00 73.53 H new ATOM 995 N ASP A 65 -6.284 -2.079 -1.919 1.00 10.23 N ATOM 996 CA ASP A 65 -6.756 -0.725 -1.650 1.00 22.44 C ATOM 997 C ASP A 65 -6.006 -0.113 -0.471 1.00 43.30 C ATOM 998 O ASP A 65 -6.251 -0.464 0.682 1.00 24.25 O ATOM 999 CB ASP A 65 -8.259 -0.733 -1.365 1.00 64.42 C ATOM 1000 CG ASP A 65 -8.890 0.632 -1.551 1.00 53.14 C ATOM 1001 OD1 ASP A 65 -8.159 1.641 -1.468 1.00 3.12 O ATOM 1002 OD2 ASP A 65 -10.116 0.692 -1.781 1.00 70.14 O ATOM 0 H ASP A 65 -6.987 -2.806 -1.782 1.00 10.23 H new ATOM 0 HA ASP A 65 -6.565 -0.117 -2.535 1.00 22.44 H new ATOM 0 HB2 ASP A 65 -8.747 -1.449 -2.026 1.00 64.42 H new ATOM 0 HB3 ASP A 65 -8.431 -1.073 -0.344 1.00 64.42 H new ATOM 1007 N GLU A 66 -5.091 0.804 -0.770 1.00 42.14 N ATOM 1008 CA GLU A 66 -4.304 1.464 0.265 1.00 21.51 C ATOM 1009 C GLU A 66 -5.202 2.263 1.205 1.00 50.03 C ATOM 1010 O GLU A 66 -4.906 2.406 2.391 1.00 12.11 O ATOM 1011 CB GLU A 66 -3.259 2.386 -0.367 1.00 20.42 C ATOM 1012 CG GLU A 66 -2.319 1.674 -1.325 1.00 72.33 C ATOM 1013 CD GLU A 66 -1.491 0.603 -0.642 1.00 62.25 C ATOM 1014 OE1 GLU A 66 -0.794 0.928 0.341 1.00 33.05 O ATOM 1015 OE2 GLU A 66 -1.540 -0.561 -1.093 1.00 23.22 O ATOM 0 H GLU A 66 -4.877 1.107 -1.720 1.00 42.14 H new ATOM 0 HA GLU A 66 -3.795 0.694 0.844 1.00 21.51 H new ATOM 0 HB2 GLU A 66 -3.769 3.188 -0.901 1.00 20.42 H new ATOM 0 HB3 GLU A 66 -2.673 2.853 0.424 1.00 20.42 H new ATOM 0 HG2 GLU A 66 -2.900 1.221 -2.129 1.00 72.33 H new ATOM 0 HG3 GLU A 66 -1.653 2.404 -1.785 1.00 72.33 H new ATOM 1022 N ASP A 67 -6.299 2.782 0.665 1.00 13.11 N ATOM 1023 CA ASP A 67 -7.242 3.567 1.454 1.00 23.11 C ATOM 1024 C ASP A 67 -8.407 2.703 1.926 1.00 71.11 C ATOM 1025 O ASP A 67 -9.232 3.139 2.727 1.00 12.42 O ATOM 1026 CB ASP A 67 -7.765 4.748 0.636 1.00 51.42 C ATOM 1027 CG ASP A 67 -8.136 4.353 -0.780 1.00 30.01 C ATOM 1028 OD1 ASP A 67 -7.217 4.076 -1.578 1.00 62.41 O ATOM 1029 OD2 ASP A 67 -9.346 4.322 -1.090 1.00 64.31 O ATOM 0 H ASP A 67 -6.557 2.674 -0.316 1.00 13.11 H new ATOM 0 HA ASP A 67 -6.717 3.947 2.330 1.00 23.11 H new ATOM 0 HB2 ASP A 67 -8.638 5.172 1.132 1.00 51.42 H new ATOM 0 HB3 ASP A 67 -7.006 5.529 0.605 1.00 51.42 H new ATOM 1034 N GLY A 68 -8.468 1.474 1.422 1.00 55.03 N ATOM 1035 CA GLY A 68 -9.537 0.569 1.802 1.00 71.32 C ATOM 1036 C GLY A 68 -10.911 1.175 1.597 1.00 11.44 C ATOM 1037 O GLY A 68 -11.806 0.996 2.424 1.00 65.12 O ATOM 0 H GLY A 68 -7.796 1.089 0.758 1.00 55.03 H new ATOM 0 HA2 GLY A 68 -9.457 -0.348 1.218 1.00 71.32 H new ATOM 0 HA3 GLY A 68 -9.419 0.291 2.849 1.00 71.32 H new ATOM 1041 N SER A 69 -11.079 1.897 0.494 1.00 14.20 N ATOM 1042 CA SER A 69 -12.353 2.537 0.186 1.00 1.42 C ATOM 1043 C SER A 69 -13.356 1.521 -0.351 1.00 40.11 C ATOM 1044 O SER A 69 -14.564 1.751 -0.324 1.00 73.23 O ATOM 1045 CB SER A 69 -12.150 3.659 -0.834 1.00 14.41 C ATOM 1046 OG SER A 69 -11.511 3.177 -2.003 1.00 31.32 O ATOM 0 H SER A 69 -10.349 2.054 -0.201 1.00 14.20 H new ATOM 0 HA SER A 69 -12.751 2.961 1.108 1.00 1.42 H new ATOM 0 HB2 SER A 69 -13.114 4.095 -1.096 1.00 14.41 H new ATOM 0 HB3 SER A 69 -11.551 4.454 -0.390 1.00 14.41 H new ATOM 0 HG SER A 69 -10.570 3.452 -1.999 1.00 31.32 H new ATOM 1052 N GLY A 70 -12.844 0.395 -0.839 1.00 54.14 N ATOM 1053 CA GLY A 70 -13.708 -0.640 -1.377 1.00 22.35 C ATOM 1054 C GLY A 70 -13.697 -0.676 -2.892 1.00 25.21 C ATOM 1055 O GLY A 70 -14.588 -1.255 -3.514 1.00 52.40 O ATOM 0 H GLY A 70 -11.847 0.181 -0.871 1.00 54.14 H new ATOM 0 HA2 GLY A 70 -13.392 -1.609 -0.992 1.00 22.35 H new ATOM 0 HA3 GLY A 70 -14.727 -0.475 -1.028 1.00 22.35 H new ATOM 1059 N THR A 71 -12.685 -0.055 -3.490 1.00 4.24 N ATOM 1060 CA THR A 71 -12.562 -0.015 -4.941 1.00 71.53 C ATOM 1061 C THR A 71 -11.105 0.119 -5.367 1.00 5.23 C ATOM 1062 O THR A 71 -10.275 0.641 -4.621 1.00 54.23 O ATOM 1063 CB THR A 71 -13.370 1.150 -5.542 1.00 11.41 C ATOM 1064 OG1 THR A 71 -13.584 2.161 -4.550 1.00 22.42 O ATOM 1065 CG2 THR A 71 -14.710 0.663 -6.074 1.00 5.34 C ATOM 0 H THR A 71 -11.938 0.428 -2.990 1.00 4.24 H new ATOM 0 HA THR A 71 -12.962 -0.957 -5.317 1.00 71.53 H new ATOM 0 HB THR A 71 -12.799 1.569 -6.371 1.00 11.41 H new ATOM 0 HG1 THR A 71 -14.097 2.899 -4.941 1.00 22.42 H new ATOM 0 HG21 THR A 71 -15.262 1.504 -6.493 1.00 5.34 H new ATOM 0 HG22 THR A 71 -14.544 -0.085 -6.849 1.00 5.34 H new ATOM 0 HG23 THR A 71 -15.285 0.220 -5.261 1.00 5.34 H new ATOM 1073 N VAL A 72 -10.798 -0.354 -6.570 1.00 61.44 N ATOM 1074 CA VAL A 72 -9.440 -0.285 -7.096 1.00 23.20 C ATOM 1075 C VAL A 72 -9.297 0.851 -8.102 1.00 10.51 C ATOM 1076 O VAL A 72 -10.069 0.950 -9.056 1.00 10.52 O ATOM 1077 CB VAL A 72 -9.031 -1.608 -7.771 1.00 50.11 C ATOM 1078 CG1 VAL A 72 -7.888 -1.378 -8.747 1.00 65.25 C ATOM 1079 CG2 VAL A 72 -8.650 -2.644 -6.725 1.00 5.03 C ATOM 0 H VAL A 72 -11.472 -0.790 -7.200 1.00 61.44 H new ATOM 0 HA VAL A 72 -8.782 -0.100 -6.247 1.00 23.20 H new ATOM 0 HB VAL A 72 -9.885 -1.989 -8.332 1.00 50.11 H new ATOM 0 HG11 VAL A 72 -7.613 -2.324 -9.214 1.00 65.25 H new ATOM 0 HG12 VAL A 72 -8.202 -0.672 -9.515 1.00 65.25 H new ATOM 0 HG13 VAL A 72 -7.029 -0.974 -8.212 1.00 65.25 H new ATOM 0 HG21 VAL A 72 -8.364 -3.572 -7.220 1.00 5.03 H new ATOM 0 HG22 VAL A 72 -7.812 -2.274 -6.135 1.00 5.03 H new ATOM 0 HG23 VAL A 72 -9.501 -2.829 -6.070 1.00 5.03 H new ATOM 1089 N ASP A 73 -8.305 1.707 -7.883 1.00 23.04 N ATOM 1090 CA ASP A 73 -8.059 2.837 -8.771 1.00 60.00 C ATOM 1091 C ASP A 73 -6.940 2.519 -9.758 1.00 71.00 C ATOM 1092 O ASP A 73 -6.480 1.380 -9.845 1.00 3.42 O ATOM 1093 CB ASP A 73 -7.701 4.083 -7.959 1.00 71.13 C ATOM 1094 CG ASP A 73 -8.496 5.301 -8.387 1.00 62.15 C ATOM 1095 OD1 ASP A 73 -9.731 5.297 -8.205 1.00 20.01 O ATOM 1096 OD2 ASP A 73 -7.883 6.258 -8.906 1.00 23.30 O ATOM 0 H ASP A 73 -7.658 1.640 -7.098 1.00 23.04 H new ATOM 0 HA ASP A 73 -8.972 3.030 -9.334 1.00 60.00 H new ATOM 0 HB2 ASP A 73 -7.881 3.888 -6.902 1.00 71.13 H new ATOM 0 HB3 ASP A 73 -6.637 4.291 -8.068 1.00 71.13 H new ATOM 1101 N PHE A 74 -6.508 3.532 -10.501 1.00 42.31 N ATOM 1102 CA PHE A 74 -5.444 3.360 -11.484 1.00 13.51 C ATOM 1103 C PHE A 74 -4.186 2.796 -10.831 1.00 1.43 C ATOM 1104 O PHE A 74 -3.624 1.804 -11.295 1.00 33.15 O ATOM 1105 CB PHE A 74 -5.126 4.695 -12.161 1.00 54.14 C ATOM 1106 CG PHE A 74 -5.101 4.615 -13.661 1.00 54.11 C ATOM 1107 CD1 PHE A 74 -4.617 3.485 -14.300 1.00 33.12 C ATOM 1108 CD2 PHE A 74 -5.561 5.670 -14.432 1.00 55.50 C ATOM 1109 CE1 PHE A 74 -4.593 3.408 -15.680 1.00 32.13 C ATOM 1110 CE2 PHE A 74 -5.540 5.599 -15.812 1.00 52.01 C ATOM 1111 CZ PHE A 74 -5.054 4.467 -16.437 1.00 34.13 C ATOM 0 H PHE A 74 -6.878 4.481 -10.442 1.00 42.31 H new ATOM 0 HA PHE A 74 -5.790 2.652 -12.237 1.00 13.51 H new ATOM 0 HB2 PHE A 74 -5.868 5.433 -11.857 1.00 54.14 H new ATOM 0 HB3 PHE A 74 -4.158 5.051 -11.808 1.00 54.14 H new ATOM 0 HD1 PHE A 74 -4.254 2.654 -13.713 1.00 33.12 H new ATOM 0 HD2 PHE A 74 -5.940 6.558 -13.949 1.00 55.50 H new ATOM 0 HE1 PHE A 74 -4.214 2.521 -16.166 1.00 32.13 H new ATOM 0 HE2 PHE A 74 -5.903 6.428 -16.401 1.00 52.01 H new ATOM 0 HZ PHE A 74 -5.035 4.410 -17.515 1.00 34.13 H new ATOM 1121 N ASP A 75 -3.749 3.437 -9.752 1.00 61.11 N ATOM 1122 CA ASP A 75 -2.557 3.000 -9.034 1.00 34.13 C ATOM 1123 C ASP A 75 -2.736 1.584 -8.495 1.00 74.11 C ATOM 1124 O ASP A 75 -1.983 0.677 -8.846 1.00 62.23 O ATOM 1125 CB ASP A 75 -2.248 3.961 -7.885 1.00 24.44 C ATOM 1126 CG ASP A 75 -1.850 5.339 -8.374 1.00 13.41 C ATOM 1127 OD1 ASP A 75 -1.034 5.423 -9.316 1.00 21.25 O ATOM 1128 OD2 ASP A 75 -2.356 6.335 -7.816 1.00 13.12 O ATOM 0 H ASP A 75 -4.202 4.260 -9.356 1.00 61.11 H new ATOM 0 HA ASP A 75 -1.721 3.000 -9.733 1.00 34.13 H new ATOM 0 HB2 ASP A 75 -3.123 4.046 -7.241 1.00 24.44 H new ATOM 0 HB3 ASP A 75 -1.443 3.548 -7.276 1.00 24.44 H new ATOM 1133 N GLU A 76 -3.738 1.404 -7.640 1.00 72.50 N ATOM 1134 CA GLU A 76 -4.014 0.098 -7.052 1.00 1.12 C ATOM 1135 C GLU A 76 -4.138 -0.971 -8.134 1.00 13.13 C ATOM 1136 O GLU A 76 -3.743 -2.120 -7.934 1.00 50.53 O ATOM 1137 CB GLU A 76 -5.297 0.149 -6.220 1.00 52.42 C ATOM 1138 CG GLU A 76 -5.251 1.165 -5.091 1.00 25.11 C ATOM 1139 CD GLU A 76 -6.631 1.619 -4.657 1.00 62.11 C ATOM 1140 OE1 GLU A 76 -7.510 0.752 -4.471 1.00 22.13 O ATOM 1141 OE2 GLU A 76 -6.831 2.842 -4.504 1.00 13.12 O ATOM 0 H GLU A 76 -4.371 2.145 -7.339 1.00 72.50 H new ATOM 0 HA GLU A 76 -3.179 -0.163 -6.402 1.00 1.12 H new ATOM 0 HB2 GLU A 76 -6.136 0.384 -6.875 1.00 52.42 H new ATOM 0 HB3 GLU A 76 -5.488 -0.839 -5.801 1.00 52.42 H new ATOM 0 HG2 GLU A 76 -4.731 0.731 -4.237 1.00 25.11 H new ATOM 0 HG3 GLU A 76 -4.672 2.031 -5.410 1.00 25.11 H new ATOM 1148 N TRP A 77 -4.690 -0.584 -9.278 1.00 34.21 N ATOM 1149 CA TRP A 77 -4.868 -1.509 -10.392 1.00 3.02 C ATOM 1150 C TRP A 77 -3.531 -1.827 -11.054 1.00 14.53 C ATOM 1151 O TRP A 77 -3.329 -2.926 -11.571 1.00 31.13 O ATOM 1152 CB TRP A 77 -5.834 -0.920 -11.421 1.00 62.52 C ATOM 1153 CG TRP A 77 -6.114 -1.843 -12.569 1.00 23.34 C ATOM 1154 CD1 TRP A 77 -7.235 -2.601 -12.757 1.00 4.44 C ATOM 1155 CD2 TRP A 77 -5.257 -2.107 -13.685 1.00 21.11 C ATOM 1156 NE1 TRP A 77 -7.126 -3.319 -13.923 1.00 31.43 N ATOM 1157 CE2 TRP A 77 -5.923 -3.034 -14.511 1.00 44.31 C ATOM 1158 CE3 TRP A 77 -3.993 -1.649 -14.068 1.00 74.40 C ATOM 1159 CZ2 TRP A 77 -5.365 -3.510 -15.695 1.00 11.13 C ATOM 1160 CZ3 TRP A 77 -3.441 -2.123 -15.243 1.00 33.32 C ATOM 1161 CH2 TRP A 77 -4.127 -3.045 -16.045 1.00 43.04 C ATOM 0 H TRP A 77 -5.022 0.363 -9.459 1.00 34.21 H new ATOM 0 HA TRP A 77 -5.287 -2.436 -10.000 1.00 3.02 H new ATOM 0 HB2 TRP A 77 -6.773 -0.671 -10.927 1.00 62.52 H new ATOM 0 HB3 TRP A 77 -5.420 0.012 -11.806 1.00 62.52 H new ATOM 0 HD1 TRP A 77 -8.082 -2.631 -12.088 1.00 4.44 H new ATOM 0 HE1 TRP A 77 -7.828 -3.961 -14.291 1.00 31.43 H new ATOM 0 HE3 TRP A 77 -3.458 -0.938 -13.457 1.00 74.40 H new ATOM 0 HZ2 TRP A 77 -5.891 -4.221 -16.315 1.00 11.13 H new ATOM 0 HZ3 TRP A 77 -2.465 -1.777 -15.548 1.00 33.32 H new ATOM 0 HH2 TRP A 77 -3.669 -3.396 -16.958 1.00 43.04 H new ATOM 1172 N LEU A 78 -2.622 -0.858 -11.035 1.00 21.43 N ATOM 1173 CA LEU A 78 -1.303 -1.035 -11.633 1.00 75.54 C ATOM 1174 C LEU A 78 -0.543 -2.167 -10.950 1.00 25.00 C ATOM 1175 O LEU A 78 -0.079 -3.102 -11.604 1.00 13.40 O ATOM 1176 CB LEU A 78 -0.501 0.263 -11.540 1.00 42.43 C ATOM 1177 CG LEU A 78 -0.314 1.032 -12.849 1.00 13.43 C ATOM 1178 CD1 LEU A 78 -0.722 2.487 -12.675 1.00 44.44 C ATOM 1179 CD2 LEU A 78 1.128 0.933 -13.325 1.00 12.44 C ATOM 0 H LEU A 78 -2.774 0.058 -10.612 1.00 21.43 H new ATOM 0 HA LEU A 78 -1.439 -1.296 -12.683 1.00 75.54 H new ATOM 0 HB2 LEU A 78 -0.993 0.920 -10.823 1.00 42.43 H new ATOM 0 HB3 LEU A 78 0.484 0.030 -11.135 1.00 42.43 H new ATOM 0 HG LEU A 78 -0.956 0.584 -13.607 1.00 13.43 H new ATOM 0 HD11 LEU A 78 -0.582 3.019 -13.616 1.00 44.44 H new ATOM 0 HD12 LEU A 78 -1.770 2.538 -12.381 1.00 44.44 H new ATOM 0 HD13 LEU A 78 -0.106 2.948 -11.903 1.00 44.44 H new ATOM 0 HD21 LEU A 78 1.242 1.486 -14.257 1.00 12.44 H new ATOM 0 HD22 LEU A 78 1.790 1.355 -12.569 1.00 12.44 H new ATOM 0 HD23 LEU A 78 1.386 -0.113 -13.490 1.00 12.44 H new ATOM 1191 N VAL A 79 -0.419 -2.077 -9.629 1.00 60.35 N ATOM 1192 CA VAL A 79 0.282 -3.095 -8.856 1.00 65.13 C ATOM 1193 C VAL A 79 -0.334 -4.472 -9.073 1.00 75.22 C ATOM 1194 O VAL A 79 0.337 -5.494 -8.930 1.00 51.44 O ATOM 1195 CB VAL A 79 0.265 -2.768 -7.351 1.00 72.03 C ATOM 1196 CG1 VAL A 79 1.045 -1.493 -7.073 1.00 5.43 C ATOM 1197 CG2 VAL A 79 -1.166 -2.647 -6.850 1.00 32.45 C ATOM 0 H VAL A 79 -0.795 -1.309 -9.072 1.00 60.35 H new ATOM 0 HA VAL A 79 1.314 -3.103 -9.207 1.00 65.13 H new ATOM 0 HB VAL A 79 0.747 -3.584 -6.813 1.00 72.03 H new ATOM 0 HG11 VAL A 79 1.022 -1.278 -6.005 1.00 5.43 H new ATOM 0 HG12 VAL A 79 2.078 -1.621 -7.395 1.00 5.43 H new ATOM 0 HG13 VAL A 79 0.595 -0.664 -7.620 1.00 5.43 H new ATOM 0 HG21 VAL A 79 -1.160 -2.416 -5.785 1.00 32.45 H new ATOM 0 HG22 VAL A 79 -1.675 -1.850 -7.392 1.00 32.45 H new ATOM 0 HG23 VAL A 79 -1.690 -3.589 -7.014 1.00 32.45 H new ATOM 1207 N MET A 80 -1.617 -4.492 -9.420 1.00 14.14 N ATOM 1208 CA MET A 80 -2.325 -5.745 -9.658 1.00 40.52 C ATOM 1209 C MET A 80 -1.691 -6.516 -10.811 1.00 51.14 C ATOM 1210 O MET A 80 -1.332 -7.684 -10.666 1.00 3.25 O ATOM 1211 CB MET A 80 -3.800 -5.472 -9.961 1.00 23.30 C ATOM 1212 CG MET A 80 -4.755 -6.160 -8.999 1.00 24.02 C ATOM 1213 SD MET A 80 -6.351 -6.531 -9.751 1.00 23.41 S ATOM 1214 CE MET A 80 -6.660 -5.016 -10.655 1.00 23.31 C ATOM 0 H MET A 80 -2.187 -3.655 -9.543 1.00 14.14 H new ATOM 0 HA MET A 80 -2.253 -6.352 -8.755 1.00 40.52 H new ATOM 0 HB2 MET A 80 -3.976 -4.397 -9.928 1.00 23.30 H new ATOM 0 HB3 MET A 80 -4.021 -5.801 -10.977 1.00 23.30 H new ATOM 0 HG2 MET A 80 -4.302 -7.085 -8.643 1.00 24.02 H new ATOM 0 HG3 MET A 80 -4.908 -5.524 -8.127 1.00 24.02 H new ATOM 0 HE1 MET A 80 -7.700 -4.993 -10.982 1.00 23.31 H new ATOM 0 HE2 MET A 80 -6.464 -4.160 -10.009 1.00 23.31 H new ATOM 0 HE3 MET A 80 -6.005 -4.971 -11.525 1.00 23.31 H new ATOM 1224 N MET A 81 -1.557 -5.855 -11.957 1.00 34.22 N ATOM 1225 CA MET A 81 -0.966 -6.480 -13.134 1.00 41.23 C ATOM 1226 C MET A 81 0.462 -6.935 -12.849 1.00 12.11 C ATOM 1227 O MET A 81 0.914 -7.954 -13.370 1.00 31.13 O ATOM 1228 CB MET A 81 -0.977 -5.506 -14.314 1.00 61.13 C ATOM 1229 CG MET A 81 0.302 -4.694 -14.444 1.00 73.44 C ATOM 1230 SD MET A 81 0.186 -3.413 -15.708 1.00 32.40 S ATOM 1231 CE MET A 81 -0.921 -4.193 -16.880 1.00 72.53 C ATOM 0 H MET A 81 -1.850 -4.888 -12.095 1.00 34.22 H new ATOM 0 HA MET A 81 -1.563 -7.355 -13.389 1.00 41.23 H new ATOM 0 HB2 MET A 81 -1.137 -6.066 -15.235 1.00 61.13 H new ATOM 0 HB3 MET A 81 -1.821 -4.825 -14.204 1.00 61.13 H new ATOM 0 HG2 MET A 81 0.534 -4.232 -13.484 1.00 73.44 H new ATOM 0 HG3 MET A 81 1.129 -5.362 -14.684 1.00 73.44 H new ATOM 0 HE1 MET A 81 -0.938 -3.615 -17.804 1.00 72.53 H new ATOM 0 HE2 MET A 81 -0.574 -5.205 -17.091 1.00 72.53 H new ATOM 0 HE3 MET A 81 -1.926 -4.234 -16.459 1.00 72.53 H new ATOM 1241 N ALA A 82 1.166 -6.173 -12.019 1.00 45.42 N ATOM 1242 CA ALA A 82 2.542 -6.499 -11.664 1.00 31.12 C ATOM 1243 C ALA A 82 2.632 -7.884 -11.032 1.00 33.10 C ATOM 1244 O ALA A 82 3.643 -8.573 -11.166 1.00 20.25 O ATOM 1245 CB ALA A 82 3.107 -5.448 -10.719 1.00 74.44 C ATOM 0 H ALA A 82 0.806 -5.326 -11.580 1.00 45.42 H new ATOM 0 HA ALA A 82 3.135 -6.506 -12.578 1.00 31.12 H new ATOM 0 HB1 ALA A 82 4.135 -5.704 -10.462 1.00 74.44 H new ATOM 0 HB2 ALA A 82 3.087 -4.473 -11.205 1.00 74.44 H new ATOM 0 HB3 ALA A 82 2.504 -5.413 -9.811 1.00 74.44 H new ATOM 1251 N ARG A 83 1.568 -8.285 -10.343 1.00 62.22 N ATOM 1252 CA ARG A 83 1.528 -9.588 -9.689 1.00 44.50 C ATOM 1253 C ARG A 83 1.634 -10.714 -10.713 1.00 44.21 C ATOM 1254 O ARG A 83 2.039 -11.830 -10.384 1.00 11.53 O ATOM 1255 CB ARG A 83 0.237 -9.737 -8.882 1.00 64.41 C ATOM 1256 CG ARG A 83 -0.071 -8.540 -7.999 1.00 13.42 C ATOM 1257 CD ARG A 83 -1.275 -8.800 -7.107 1.00 72.51 C ATOM 1258 NE ARG A 83 -2.484 -9.063 -7.883 1.00 54.40 N ATOM 1259 CZ ARG A 83 -3.656 -9.368 -7.337 1.00 12.41 C ATOM 1260 NH1 ARG A 83 -3.776 -9.448 -6.019 1.00 33.11 N ATOM 1261 NH2 ARG A 83 -4.711 -9.592 -8.110 1.00 32.54 N ATOM 0 H ARG A 83 0.723 -7.727 -10.223 1.00 62.22 H new ATOM 0 HA ARG A 83 2.381 -9.654 -9.013 1.00 44.50 H new ATOM 0 HB2 ARG A 83 -0.595 -9.895 -9.569 1.00 64.41 H new ATOM 0 HB3 ARG A 83 0.309 -10.628 -8.259 1.00 64.41 H new ATOM 0 HG2 ARG A 83 0.797 -8.309 -7.382 1.00 13.42 H new ATOM 0 HG3 ARG A 83 -0.261 -7.666 -8.622 1.00 13.42 H new ATOM 0 HD2 ARG A 83 -1.068 -9.651 -6.458 1.00 72.51 H new ATOM 0 HD3 ARG A 83 -1.440 -7.938 -6.460 1.00 72.51 H new ATOM 0 HE ARG A 83 -2.425 -9.010 -8.900 1.00 54.40 H new ATOM 0 HH11 ARG A 83 -2.967 -9.275 -5.422 1.00 33.11 H new ATOM 0 HH12 ARG A 83 -4.677 -9.682 -5.602 1.00 33.11 H new ATOM 0 HH21 ARG A 83 -4.622 -9.530 -9.124 1.00 32.54 H new ATOM 0 HH22 ARG A 83 -5.611 -9.826 -7.690 1.00 32.54 H new ATOM 1275 N CYS A 84 1.268 -10.414 -11.954 1.00 63.02 N ATOM 1276 CA CYS A 84 1.321 -11.401 -13.027 1.00 20.55 C ATOM 1277 C CYS A 84 2.764 -11.768 -13.358 1.00 0.12 C ATOM 1278 O CYS A 84 3.023 -12.768 -14.026 1.00 31.30 O ATOM 1279 CB CYS A 84 0.618 -10.867 -14.275 1.00 43.13 C ATOM 1280 SG CYS A 84 0.224 -12.136 -15.501 1.00 63.31 S ATOM 0 H CYS A 84 0.931 -9.495 -12.242 1.00 63.02 H new ATOM 0 HA CYS A 84 0.806 -12.299 -12.686 1.00 20.55 H new ATOM 0 HB2 CYS A 84 -0.304 -10.369 -13.974 1.00 43.13 H new ATOM 0 HB3 CYS A 84 1.251 -10.112 -14.740 1.00 43.13 H new ATOM 0 HG CYS A 84 -0.370 -11.587 -16.518 1.00 63.31 H new ATOM 1286 N MET A 85 3.700 -10.950 -12.887 1.00 53.10 N ATOM 1287 CA MET A 85 5.117 -11.188 -13.134 1.00 61.10 C ATOM 1288 C MET A 85 5.630 -12.346 -12.284 1.00 71.42 C ATOM 1289 O MET A 85 6.622 -12.990 -12.627 1.00 1.33 O ATOM 1290 CB MET A 85 5.928 -9.925 -12.838 1.00 13.13 C ATOM 1291 CG MET A 85 6.258 -9.747 -11.365 1.00 4.42 C ATOM 1292 SD MET A 85 7.894 -10.374 -10.939 1.00 61.52 S ATOM 1293 CE MET A 85 8.263 -9.399 -9.483 1.00 41.33 C ATOM 0 H MET A 85 3.502 -10.117 -12.332 1.00 53.10 H new ATOM 0 HA MET A 85 5.238 -11.450 -14.185 1.00 61.10 H new ATOM 0 HB2 MET A 85 6.856 -9.957 -13.409 1.00 13.13 H new ATOM 0 HB3 MET A 85 5.370 -9.055 -13.185 1.00 13.13 H new ATOM 0 HG2 MET A 85 6.201 -8.689 -11.109 1.00 4.42 H new ATOM 0 HG3 MET A 85 5.508 -10.261 -10.764 1.00 4.42 H new ATOM 0 HE1 MET A 85 9.247 -9.673 -9.101 1.00 41.33 H new ATOM 0 HE2 MET A 85 8.256 -8.340 -9.743 1.00 41.33 H new ATOM 0 HE3 MET A 85 7.511 -9.589 -8.717 1.00 41.33 H new