USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 695 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 80 MET CE :methyl -172:sc= 0 (180deg=0) USER MOD Set 1.2: C 84 CYS SG : rot 79:sc= 1.25 USER MOD Single : C 5 TYR OH : rot 180:sc= 0 USER MOD Single : C 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 11 GLN : amide:sc= -0.458 X(o=-0.46,f=0) USER MOD Single : C 13 THR OG1 : rot 149:sc= 0.47 USER MOD Single : C 16 GLN : amide:sc= -11! C(o=-11!,f=-17!) USER MOD Single : C 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 ASN : amide:sc= -1.41 X(o=-1.4,f=-1.5) USER MOD Single : C 21 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.115) USER MOD Single : C 35 CYS SG : rot 31:sc= -0.198! USER MOD Single : C 37 SER OG : rot 180:sc= -0.807 USER MOD Single : C 38 THR OG1 : rot 180:sc= -0.461 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 152:sc= -4.46! (180deg=-6.67!) USER MOD Single : C 47 MET CE :methyl -143:sc= -4.76! (180deg=-8.66!) USER MOD Single : C 50 GLN : amide:sc= -0.0055 X(o=-0.0055,f=-0.099) USER MOD Single : C 51 ASN : amide:sc= -1.71! K(o=-1.7!,f=-0.49) USER MOD Single : C 53 THR OG1 : rot 180:sc= -0.272 USER MOD Single : C 58 GLN : amide:sc= -1.97! K(o=-2!,f=-1.3) USER MOD Single : C 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 69 SER OG : rot -88:sc= 1.13 USER MOD Single : C 71 THR OG1 : rot -150:sc= -0.553 USER MOD Single : C 81 MET CE :methyl -171:sc= -12.4! (180deg=-13.5!) USER MOD Single : C 85 MET CE :methyl -143:sc= -1.87 (180deg=-4.1!) USER MOD Single : C 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : I 149 SER OG : rot 180:sc= 0 USER MOD Single : I 153 MET CE :methyl 145:sc= -2.63 (180deg=-5.02!) USER MOD Single : I 154 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : I 155 GLN : amide:sc=-0.000582 X(o=-0.00058,f=0) USER MOD ----------------------------------------------------------------- ATOM 63 N TYR C 5 87.792 -15.675 -0.621 1.00 0.00 N ATOM 64 CA TYR C 5 87.395 -14.437 0.043 1.00 0.00 C ATOM 65 C TYR C 5 86.319 -14.715 1.087 1.00 0.00 C ATOM 66 O TYR C 5 86.292 -14.098 2.152 1.00 0.00 O ATOM 67 CB TYR C 5 86.855 -13.429 -0.974 1.00 0.00 C ATOM 68 CG TYR C 5 87.961 -13.029 -1.919 1.00 0.00 C ATOM 69 CD1 TYR C 5 88.829 -11.984 -1.581 1.00 0.00 C ATOM 70 CD2 TYR C 5 88.121 -13.705 -3.134 1.00 0.00 C ATOM 71 CE1 TYR C 5 89.857 -11.615 -2.458 1.00 0.00 C ATOM 72 CE2 TYR C 5 89.148 -13.336 -4.011 1.00 0.00 C ATOM 73 CZ TYR C 5 90.016 -12.291 -3.673 1.00 0.00 C ATOM 74 OH TYR C 5 91.029 -11.929 -4.537 1.00 0.00 O ATOM 0 HA TYR C 5 88.277 -14.020 0.530 1.00 0.00 H new ATOM 0 HB2 TYR C 5 86.026 -13.866 -1.531 1.00 0.00 H new ATOM 0 HB3 TYR C 5 86.465 -12.550 -0.460 1.00 0.00 H new ATOM 0 HD1 TYR C 5 88.706 -11.462 -0.644 1.00 0.00 H new ATOM 0 HD2 TYR C 5 87.452 -14.512 -3.395 1.00 0.00 H new ATOM 0 HE1 TYR C 5 90.527 -10.809 -2.197 1.00 0.00 H new ATOM 0 HE2 TYR C 5 89.271 -13.858 -4.949 1.00 0.00 H new ATOM 0 HH TYR C 5 90.999 -12.499 -5.333 1.00 0.00 H new ATOM 84 N LYS C 6 85.433 -15.654 0.768 1.00 0.00 N ATOM 85 CA LYS C 6 84.354 -16.012 1.685 1.00 0.00 C ATOM 86 C LYS C 6 84.893 -16.172 3.103 1.00 0.00 C ATOM 87 O LYS C 6 84.366 -15.591 4.051 1.00 0.00 O ATOM 88 CB LYS C 6 83.695 -17.323 1.251 1.00 0.00 C ATOM 89 CG LYS C 6 82.929 -17.103 -0.054 1.00 0.00 C ATOM 90 CD LYS C 6 81.845 -16.045 0.162 1.00 0.00 C ATOM 91 CE LYS C 6 80.532 -16.527 -0.459 1.00 0.00 C ATOM 92 NZ LYS C 6 79.611 -15.369 -0.637 1.00 0.00 N ATOM 0 H LYS C 6 85.439 -16.176 -0.108 1.00 0.00 H new ATOM 0 HA LYS C 6 83.615 -15.211 1.665 1.00 0.00 H new ATOM 0 HB2 LYS C 6 84.452 -18.095 1.115 1.00 0.00 H new ATOM 0 HB3 LYS C 6 83.017 -17.676 2.028 1.00 0.00 H new ATOM 0 HG2 LYS C 6 83.613 -16.783 -0.840 1.00 0.00 H new ATOM 0 HG3 LYS C 6 82.478 -18.038 -0.385 1.00 0.00 H new ATOM 0 HD2 LYS C 6 81.709 -15.860 1.228 1.00 0.00 H new ATOM 0 HD3 LYS C 6 82.148 -15.100 -0.290 1.00 0.00 H new ATOM 0 HE2 LYS C 6 80.725 -17.003 -1.421 1.00 0.00 H new ATOM 0 HE3 LYS C 6 80.069 -17.278 0.181 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 78.719 -15.697 -1.059 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 79.417 -14.934 0.288 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 80.053 -14.667 -1.264 1.00 0.00 H new ATOM 106 N ALA C 7 85.952 -16.967 3.236 1.00 0.00 N ATOM 107 CA ALA C 7 86.558 -17.198 4.545 1.00 0.00 C ATOM 108 C ALA C 7 86.910 -15.871 5.211 1.00 0.00 C ATOM 109 O ALA C 7 86.640 -15.662 6.393 1.00 0.00 O ATOM 110 CB ALA C 7 87.827 -18.042 4.408 1.00 0.00 C ATOM 0 H ALA C 7 86.404 -17.457 2.464 1.00 0.00 H new ATOM 0 HA ALA C 7 85.834 -17.732 5.161 1.00 0.00 H new ATOM 0 HB1 ALA C 7 88.265 -18.204 5.393 1.00 0.00 H new ATOM 0 HB2 ALA C 7 87.578 -19.004 3.959 1.00 0.00 H new ATOM 0 HB3 ALA C 7 88.544 -17.521 3.774 1.00 0.00 H new ATOM 116 N ALA C 8 87.514 -14.974 4.435 1.00 0.00 N ATOM 117 CA ALA C 8 87.897 -13.666 4.959 1.00 0.00 C ATOM 118 C ALA C 8 86.654 -12.842 5.280 1.00 0.00 C ATOM 119 O ALA C 8 86.520 -12.293 6.374 1.00 0.00 O ATOM 120 CB ALA C 8 88.751 -12.908 3.941 1.00 0.00 C ATOM 0 H ALA C 8 87.746 -15.126 3.453 1.00 0.00 H new ATOM 0 HA ALA C 8 88.477 -13.822 5.869 1.00 0.00 H new ATOM 0 HB1 ALA C 8 89.027 -11.936 4.349 1.00 0.00 H new ATOM 0 HB2 ALA C 8 89.653 -13.480 3.725 1.00 0.00 H new ATOM 0 HB3 ALA C 8 88.182 -12.767 3.022 1.00 0.00 H new ATOM 126 N VAL C 9 85.745 -12.767 4.311 1.00 0.00 N ATOM 127 CA VAL C 9 84.508 -12.013 4.494 1.00 0.00 C ATOM 128 C VAL C 9 83.665 -12.643 5.599 1.00 0.00 C ATOM 129 O VAL C 9 82.723 -12.032 6.105 1.00 0.00 O ATOM 130 CB VAL C 9 83.697 -11.997 3.195 1.00 0.00 C ATOM 131 CG1 VAL C 9 82.281 -11.486 3.474 1.00 0.00 C ATOM 132 CG2 VAL C 9 84.379 -11.075 2.182 1.00 0.00 C ATOM 0 H VAL C 9 85.840 -13.215 3.399 1.00 0.00 H new ATOM 0 HA VAL C 9 84.769 -10.992 4.771 1.00 0.00 H new ATOM 0 HB VAL C 9 83.642 -13.008 2.793 1.00 0.00 H new ATOM 0 HG11 VAL C 9 81.708 -11.477 2.547 1.00 0.00 H new ATOM 0 HG12 VAL C 9 81.793 -12.142 4.195 1.00 0.00 H new ATOM 0 HG13 VAL C 9 82.332 -10.475 3.879 1.00 0.00 H new ATOM 0 HG21 VAL C 9 83.803 -11.062 1.257 1.00 0.00 H new ATOM 0 HG22 VAL C 9 84.435 -10.065 2.589 1.00 0.00 H new ATOM 0 HG23 VAL C 9 85.386 -11.440 1.978 1.00 0.00 H new ATOM 142 N GLU C 10 84.013 -13.871 5.969 1.00 0.00 N ATOM 143 CA GLU C 10 83.279 -14.571 7.018 1.00 0.00 C ATOM 144 C GLU C 10 83.856 -14.215 8.382 1.00 0.00 C ATOM 145 O GLU C 10 83.162 -14.253 9.398 1.00 0.00 O ATOM 146 CB GLU C 10 83.358 -16.086 6.816 1.00 0.00 C ATOM 147 CG GLU C 10 82.473 -16.488 5.635 1.00 0.00 C ATOM 148 CD GLU C 10 81.176 -17.100 6.153 1.00 0.00 C ATOM 149 OE1 GLU C 10 80.287 -16.343 6.508 1.00 0.00 O ATOM 150 OE2 GLU C 10 81.090 -18.316 6.186 1.00 0.00 O ATOM 0 H GLU C 10 84.788 -14.397 5.565 1.00 0.00 H new ATOM 0 HA GLU C 10 82.235 -14.262 6.968 1.00 0.00 H new ATOM 0 HB2 GLU C 10 84.389 -16.386 6.630 1.00 0.00 H new ATOM 0 HB3 GLU C 10 83.034 -16.602 7.720 1.00 0.00 H new ATOM 0 HG2 GLU C 10 82.255 -15.616 5.018 1.00 0.00 H new ATOM 0 HG3 GLU C 10 82.997 -17.204 5.002 1.00 0.00 H new ATOM 157 N GLN C 11 85.136 -13.857 8.388 1.00 0.00 N ATOM 158 CA GLN C 11 85.808 -13.480 9.627 1.00 0.00 C ATOM 159 C GLN C 11 85.116 -12.275 10.244 1.00 0.00 C ATOM 160 O GLN C 11 84.892 -12.212 11.453 1.00 0.00 O ATOM 161 CB GLN C 11 87.264 -13.109 9.351 1.00 0.00 C ATOM 162 CG GLN C 11 88.035 -14.354 8.907 1.00 0.00 C ATOM 163 CD GLN C 11 88.859 -14.885 10.075 1.00 0.00 C ATOM 164 OE1 GLN C 11 90.016 -15.269 9.903 1.00 0.00 O ATOM 165 NE2 GLN C 11 88.327 -14.931 11.266 1.00 0.00 N ATOM 0 H GLN C 11 85.725 -13.820 7.556 1.00 0.00 H new ATOM 0 HA GLN C 11 85.767 -14.329 10.309 1.00 0.00 H new ATOM 0 HB2 GLN C 11 87.314 -12.343 8.578 1.00 0.00 H new ATOM 0 HB3 GLN C 11 87.719 -12.688 10.247 1.00 0.00 H new ATOM 0 HG2 GLN C 11 87.341 -15.120 8.560 1.00 0.00 H new ATOM 0 HG3 GLN C 11 88.688 -14.111 8.068 1.00 0.00 H new ATOM 0 HE21 GLN C 11 87.368 -14.613 11.409 1.00 0.00 H new ATOM 0 HE22 GLN C 11 88.870 -15.285 12.054 1.00 0.00 H new ATOM 174 N LEU C 12 84.788 -11.313 9.389 1.00 0.00 N ATOM 175 CA LEU C 12 84.128 -10.095 9.839 1.00 0.00 C ATOM 176 C LEU C 12 82.791 -10.419 10.496 1.00 0.00 C ATOM 177 O LEU C 12 81.865 -10.902 9.845 1.00 0.00 O ATOM 178 CB LEU C 12 83.888 -9.153 8.658 1.00 0.00 C ATOM 179 CG LEU C 12 85.224 -8.800 8.002 1.00 0.00 C ATOM 180 CD1 LEU C 12 85.030 -7.602 7.071 1.00 0.00 C ATOM 181 CD2 LEU C 12 86.249 -8.447 9.084 1.00 0.00 C ATOM 0 H LEU C 12 84.967 -11.353 8.386 1.00 0.00 H new ATOM 0 HA LEU C 12 84.778 -9.610 10.567 1.00 0.00 H new ATOM 0 HB2 LEU C 12 83.228 -9.626 7.931 1.00 0.00 H new ATOM 0 HB3 LEU C 12 83.388 -8.246 8.999 1.00 0.00 H new ATOM 0 HG LEU C 12 85.585 -9.653 7.428 1.00 0.00 H new ATOM 0 HD11 LEU C 12 85.981 -7.348 6.602 1.00 0.00 H new ATOM 0 HD12 LEU C 12 84.301 -7.854 6.301 1.00 0.00 H new ATOM 0 HD13 LEU C 12 84.670 -6.749 7.646 1.00 0.00 H new ATOM 0 HD21 LEU C 12 87.201 -8.196 8.616 1.00 0.00 H new ATOM 0 HD22 LEU C 12 85.891 -7.593 9.660 1.00 0.00 H new ATOM 0 HD23 LEU C 12 86.386 -9.301 9.748 1.00 0.00 H new ATOM 193 N THR C 13 82.699 -10.142 11.793 1.00 0.00 N ATOM 194 CA THR C 13 81.465 -10.405 12.529 1.00 0.00 C ATOM 195 C THR C 13 80.438 -9.312 12.250 1.00 0.00 C ATOM 196 O THR C 13 80.757 -8.271 11.676 1.00 0.00 O ATOM 197 CB THR C 13 81.735 -10.465 14.034 1.00 0.00 C ATOM 198 OG1 THR C 13 83.029 -9.942 14.304 1.00 0.00 O ATOM 199 CG2 THR C 13 81.660 -11.917 14.510 1.00 0.00 C ATOM 0 H THR C 13 83.453 -9.741 12.351 1.00 0.00 H new ATOM 0 HA THR C 13 81.075 -11.367 12.196 1.00 0.00 H new ATOM 0 HB THR C 13 80.987 -9.873 14.561 1.00 0.00 H new ATOM 0 HG1 THR C 13 83.034 -9.524 15.190 1.00 0.00 H new ATOM 0 HG21 THR C 13 81.852 -11.959 15.582 1.00 0.00 H new ATOM 0 HG22 THR C 13 80.667 -12.317 14.304 1.00 0.00 H new ATOM 0 HG23 THR C 13 82.407 -12.511 13.984 1.00 0.00 H new ATOM 207 N GLU C 14 79.199 -9.563 12.662 1.00 0.00 N ATOM 208 CA GLU C 14 78.126 -8.595 12.452 1.00 0.00 C ATOM 209 C GLU C 14 78.506 -7.240 13.039 1.00 0.00 C ATOM 210 O GLU C 14 78.021 -6.198 12.598 1.00 0.00 O ATOM 211 CB GLU C 14 76.834 -9.077 13.114 1.00 0.00 C ATOM 212 CG GLU C 14 75.836 -9.498 12.035 1.00 0.00 C ATOM 213 CD GLU C 14 74.535 -8.724 12.216 1.00 0.00 C ATOM 214 OE1 GLU C 14 74.359 -8.134 13.269 1.00 0.00 O ATOM 215 OE2 GLU C 14 73.732 -8.732 11.297 1.00 0.00 O ATOM 0 H GLU C 14 78.914 -10.419 13.138 1.00 0.00 H new ATOM 0 HA GLU C 14 77.970 -8.495 11.378 1.00 0.00 H new ATOM 0 HB2 GLU C 14 77.044 -9.916 13.778 1.00 0.00 H new ATOM 0 HB3 GLU C 14 76.409 -8.283 13.728 1.00 0.00 H new ATOM 0 HG2 GLU C 14 76.251 -9.306 11.046 1.00 0.00 H new ATOM 0 HG3 GLU C 14 75.646 -10.569 12.098 1.00 0.00 H new ATOM 222 N GLU C 15 79.378 -7.269 14.041 1.00 0.00 N ATOM 223 CA GLU C 15 79.819 -6.038 14.690 1.00 0.00 C ATOM 224 C GLU C 15 80.478 -5.104 13.683 1.00 0.00 C ATOM 225 O GLU C 15 80.061 -3.958 13.513 1.00 0.00 O ATOM 226 CB GLU C 15 80.821 -6.348 15.800 1.00 0.00 C ATOM 227 CG GLU C 15 80.217 -7.379 16.757 1.00 0.00 C ATOM 228 CD GLU C 15 81.320 -8.270 17.315 1.00 0.00 C ATOM 229 OE1 GLU C 15 81.634 -9.261 16.677 1.00 0.00 O ATOM 230 OE2 GLU C 15 81.834 -7.951 18.375 1.00 0.00 O ATOM 0 H GLU C 15 79.790 -8.122 14.419 1.00 0.00 H new ATOM 0 HA GLU C 15 78.939 -5.554 15.114 1.00 0.00 H new ATOM 0 HB2 GLU C 15 81.747 -6.732 15.372 1.00 0.00 H new ATOM 0 HB3 GLU C 15 81.074 -5.437 16.342 1.00 0.00 H new ATOM 0 HG2 GLU C 15 79.698 -6.873 17.571 1.00 0.00 H new ATOM 0 HG3 GLU C 15 79.477 -7.985 16.234 1.00 0.00 H new ATOM 237 N GLN C 16 81.522 -5.601 13.026 1.00 0.00 N ATOM 238 CA GLN C 16 82.239 -4.791 12.048 1.00 0.00 C ATOM 239 C GLN C 16 81.383 -4.561 10.802 1.00 0.00 C ATOM 240 O GLN C 16 81.441 -3.500 10.182 1.00 0.00 O ATOM 241 CB GLN C 16 83.567 -5.459 11.657 1.00 0.00 C ATOM 242 CG GLN C 16 83.344 -6.492 10.548 1.00 0.00 C ATOM 243 CD GLN C 16 83.558 -5.831 9.190 1.00 0.00 C ATOM 244 OE1 GLN C 16 82.671 -5.845 8.338 1.00 0.00 O ATOM 245 NE2 GLN C 16 84.697 -5.245 8.937 1.00 0.00 N ATOM 0 H GLN C 16 81.886 -6.546 13.150 1.00 0.00 H new ATOM 0 HA GLN C 16 82.455 -3.826 12.506 1.00 0.00 H new ATOM 0 HB2 GLN C 16 84.276 -4.702 11.320 1.00 0.00 H new ATOM 0 HB3 GLN C 16 84.008 -5.943 12.529 1.00 0.00 H new ATOM 0 HG2 GLN C 16 84.033 -7.328 10.671 1.00 0.00 H new ATOM 0 HG3 GLN C 16 82.335 -6.899 10.612 1.00 0.00 H new ATOM 0 HE21 GLN C 16 85.433 -5.233 9.644 1.00 0.00 H new ATOM 0 HE22 GLN C 16 84.851 -4.799 8.033 1.00 0.00 H new ATOM 254 N LYS C 17 80.586 -5.565 10.445 1.00 0.00 N ATOM 255 CA LYS C 17 79.723 -5.453 9.272 1.00 0.00 C ATOM 256 C LYS C 17 78.885 -4.183 9.356 1.00 0.00 C ATOM 257 O LYS C 17 78.911 -3.342 8.457 1.00 0.00 O ATOM 258 CB LYS C 17 78.788 -6.660 9.172 1.00 0.00 C ATOM 259 CG LYS C 17 79.585 -7.892 8.736 1.00 0.00 C ATOM 260 CD LYS C 17 80.378 -7.568 7.468 1.00 0.00 C ATOM 261 CE LYS C 17 80.275 -8.739 6.489 1.00 0.00 C ATOM 262 NZ LYS C 17 80.630 -8.274 5.118 1.00 0.00 N ATOM 0 H LYS C 17 80.519 -6.453 10.943 1.00 0.00 H new ATOM 0 HA LYS C 17 80.359 -5.417 8.388 1.00 0.00 H new ATOM 0 HB2 LYS C 17 78.312 -6.845 10.135 1.00 0.00 H new ATOM 0 HB3 LYS C 17 77.992 -6.457 8.456 1.00 0.00 H new ATOM 0 HG2 LYS C 17 80.263 -8.200 9.532 1.00 0.00 H new ATOM 0 HG3 LYS C 17 78.910 -8.728 8.551 1.00 0.00 H new ATOM 0 HD2 LYS C 17 79.991 -6.659 7.007 1.00 0.00 H new ATOM 0 HD3 LYS C 17 81.422 -7.379 7.717 1.00 0.00 H new ATOM 0 HE2 LYS C 17 80.943 -9.543 6.796 1.00 0.00 H new ATOM 0 HE3 LYS C 17 79.263 -9.145 6.496 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 80.560 -9.070 4.452 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 79.975 -7.520 4.827 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 81.603 -7.907 5.117 1.00 0.00 H new ATOM 276 N ASN C 18 78.142 -4.055 10.451 1.00 0.00 N ATOM 277 CA ASN C 18 77.297 -2.884 10.655 1.00 0.00 C ATOM 278 C ASN C 18 78.066 -1.610 10.327 1.00 0.00 C ATOM 279 O ASN C 18 77.808 -0.954 9.318 1.00 0.00 O ATOM 280 CB ASN C 18 76.819 -2.818 12.106 1.00 0.00 C ATOM 281 CG ASN C 18 76.028 -4.078 12.436 1.00 0.00 C ATOM 282 OD1 ASN C 18 75.262 -4.572 11.608 1.00 0.00 O ATOM 283 ND2 ASN C 18 76.168 -4.634 13.607 1.00 0.00 N ATOM 0 H ASN C 18 78.108 -4.741 11.205 1.00 0.00 H new ATOM 0 HA ASN C 18 76.436 -2.969 9.992 1.00 0.00 H new ATOM 0 HB2 ASN C 18 77.672 -2.725 12.778 1.00 0.00 H new ATOM 0 HB3 ASN C 18 76.197 -1.935 12.256 1.00 0.00 H new ATOM 0 HD21 ASN C 18 75.643 -5.478 13.837 1.00 0.00 H new ATOM 0 HD22 ASN C 18 76.802 -4.225 14.293 1.00 0.00 H new ATOM 290 N GLU C 19 79.015 -1.266 11.193 1.00 0.00 N ATOM 291 CA GLU C 19 79.817 -0.064 10.984 1.00 0.00 C ATOM 292 C GLU C 19 80.195 0.071 9.513 1.00 0.00 C ATOM 293 O GLU C 19 80.389 1.176 9.007 1.00 0.00 O ATOM 294 CB GLU C 19 81.092 -0.099 11.834 1.00 0.00 C ATOM 295 CG GLU C 19 81.730 -1.487 11.777 1.00 0.00 C ATOM 296 CD GLU C 19 82.803 -1.585 12.856 1.00 0.00 C ATOM 297 OE1 GLU C 19 82.483 -1.332 14.006 1.00 0.00 O ATOM 298 OE2 GLU C 19 83.929 -1.911 12.517 1.00 0.00 O ATOM 0 H GLU C 19 79.246 -1.794 12.035 1.00 0.00 H new ATOM 0 HA GLU C 19 79.216 0.794 11.286 1.00 0.00 H new ATOM 0 HB2 GLU C 19 81.798 0.648 11.473 1.00 0.00 H new ATOM 0 HB3 GLU C 19 80.856 0.158 12.867 1.00 0.00 H new ATOM 0 HG2 GLU C 19 80.973 -2.256 11.928 1.00 0.00 H new ATOM 0 HG3 GLU C 19 82.168 -1.660 10.794 1.00 0.00 H new ATOM 305 N PHE C 20 80.291 -1.067 8.831 1.00 0.00 N ATOM 306 CA PHE C 20 80.640 -1.064 7.413 1.00 0.00 C ATOM 307 C PHE C 20 79.446 -0.614 6.575 1.00 0.00 C ATOM 308 O PHE C 20 79.547 0.313 5.773 1.00 0.00 O ATOM 309 CB PHE C 20 81.067 -2.462 6.962 1.00 0.00 C ATOM 310 CG PHE C 20 82.371 -2.367 6.207 1.00 0.00 C ATOM 311 CD1 PHE C 20 82.502 -1.464 5.145 1.00 0.00 C ATOM 312 CD2 PHE C 20 83.451 -3.182 6.569 1.00 0.00 C ATOM 313 CE1 PHE C 20 83.712 -1.376 4.445 1.00 0.00 C ATOM 314 CE2 PHE C 20 84.660 -3.094 5.869 1.00 0.00 C ATOM 315 CZ PHE C 20 84.791 -2.191 4.807 1.00 0.00 C ATOM 0 H PHE C 20 80.134 -1.992 9.231 1.00 0.00 H new ATOM 0 HA PHE C 20 81.469 -0.370 7.271 1.00 0.00 H new ATOM 0 HB2 PHE C 20 81.181 -3.116 7.826 1.00 0.00 H new ATOM 0 HB3 PHE C 20 80.298 -2.903 6.328 1.00 0.00 H new ATOM 0 HD1 PHE C 20 81.670 -0.835 4.865 1.00 0.00 H new ATOM 0 HD2 PHE C 20 83.351 -3.878 7.388 1.00 0.00 H new ATOM 0 HE1 PHE C 20 83.813 -0.679 3.626 1.00 0.00 H new ATOM 0 HE2 PHE C 20 85.492 -3.723 6.148 1.00 0.00 H new ATOM 0 HZ PHE C 20 85.724 -2.123 4.267 1.00 0.00 H new ATOM 325 N LYS C 21 78.312 -1.284 6.772 1.00 0.00 N ATOM 326 CA LYS C 21 77.099 -0.948 6.029 1.00 0.00 C ATOM 327 C LYS C 21 76.823 0.551 6.110 1.00 0.00 C ATOM 328 O LYS C 21 76.514 1.199 5.112 1.00 0.00 O ATOM 329 CB LYS C 21 75.897 -1.708 6.590 1.00 0.00 C ATOM 330 CG LYS C 21 76.120 -3.210 6.414 1.00 0.00 C ATOM 331 CD LYS C 21 74.770 -3.910 6.235 1.00 0.00 C ATOM 332 CE LYS C 21 74.916 -5.396 6.568 1.00 0.00 C ATOM 333 NZ LYS C 21 75.847 -6.033 5.595 1.00 0.00 N ATOM 0 H LYS C 21 78.208 -2.054 7.432 1.00 0.00 H new ATOM 0 HA LYS C 21 77.253 -1.234 4.988 1.00 0.00 H new ATOM 0 HB2 LYS C 21 75.762 -1.470 7.645 1.00 0.00 H new ATOM 0 HB3 LYS C 21 74.986 -1.401 6.075 1.00 0.00 H new ATOM 0 HG2 LYS C 21 76.755 -3.395 5.548 1.00 0.00 H new ATOM 0 HG3 LYS C 21 76.639 -3.615 7.282 1.00 0.00 H new ATOM 0 HD2 LYS C 21 74.023 -3.453 6.884 1.00 0.00 H new ATOM 0 HD3 LYS C 21 74.419 -3.789 5.210 1.00 0.00 H new ATOM 0 HE2 LYS C 21 75.295 -5.517 7.583 1.00 0.00 H new ATOM 0 HE3 LYS C 21 73.943 -5.886 6.531 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 75.817 -7.066 5.711 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 75.560 -5.785 4.627 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 76.815 -5.693 5.767 1.00 0.00 H new ATOM 347 N ALA C 22 76.941 1.094 7.315 1.00 0.00 N ATOM 348 CA ALA C 22 76.708 2.522 7.517 1.00 0.00 C ATOM 349 C ALA C 22 77.370 3.324 6.403 1.00 0.00 C ATOM 350 O ALA C 22 76.725 4.130 5.733 1.00 0.00 O ATOM 351 CB ALA C 22 77.272 2.968 8.867 1.00 0.00 C ATOM 0 H ALA C 22 77.193 0.578 8.158 1.00 0.00 H new ATOM 0 HA ALA C 22 75.633 2.700 7.502 1.00 0.00 H new ATOM 0 HB1 ALA C 22 77.091 4.034 9.003 1.00 0.00 H new ATOM 0 HB2 ALA C 22 76.783 2.412 9.667 1.00 0.00 H new ATOM 0 HB3 ALA C 22 78.345 2.776 8.895 1.00 0.00 H new ATOM 357 N ALA C 23 78.664 3.090 6.207 1.00 0.00 N ATOM 358 CA ALA C 23 79.403 3.796 5.165 1.00 0.00 C ATOM 359 C ALA C 23 78.904 3.381 3.784 1.00 0.00 C ATOM 360 O ALA C 23 79.043 4.123 2.811 1.00 0.00 O ATOM 361 CB ALA C 23 80.897 3.500 5.268 1.00 0.00 C ATOM 0 H ALA C 23 79.217 2.426 6.748 1.00 0.00 H new ATOM 0 HA ALA C 23 79.239 4.865 5.304 1.00 0.00 H new ATOM 0 HB1 ALA C 23 81.429 4.036 4.482 1.00 0.00 H new ATOM 0 HB2 ALA C 23 81.266 3.823 6.241 1.00 0.00 H new ATOM 0 HB3 ALA C 23 81.064 2.429 5.154 1.00 0.00 H new ATOM 367 N PHE C 24 78.313 2.191 3.708 1.00 0.00 N ATOM 368 CA PHE C 24 77.788 1.701 2.437 1.00 0.00 C ATOM 369 C PHE C 24 76.672 2.620 1.958 1.00 0.00 C ATOM 370 O PHE C 24 76.452 2.786 0.758 1.00 0.00 O ATOM 371 CB PHE C 24 77.235 0.283 2.587 1.00 0.00 C ATOM 372 CG PHE C 24 78.072 -0.676 1.779 1.00 0.00 C ATOM 373 CD1 PHE C 24 77.816 -0.850 0.415 1.00 0.00 C ATOM 374 CD2 PHE C 24 79.102 -1.393 2.397 1.00 0.00 C ATOM 375 CE1 PHE C 24 78.591 -1.742 -0.332 1.00 0.00 C ATOM 376 CE2 PHE C 24 79.878 -2.286 1.649 1.00 0.00 C ATOM 377 CZ PHE C 24 79.623 -2.461 0.284 1.00 0.00 C ATOM 0 H PHE C 24 78.187 1.558 4.497 1.00 0.00 H new ATOM 0 HA PHE C 24 78.602 1.688 1.712 1.00 0.00 H new ATOM 0 HB2 PHE C 24 77.239 -0.010 3.637 1.00 0.00 H new ATOM 0 HB3 PHE C 24 76.199 0.249 2.251 1.00 0.00 H new ATOM 0 HD1 PHE C 24 77.020 -0.296 -0.061 1.00 0.00 H new ATOM 0 HD2 PHE C 24 79.298 -1.258 3.450 1.00 0.00 H new ATOM 0 HE1 PHE C 24 78.394 -1.877 -1.385 1.00 0.00 H new ATOM 0 HE2 PHE C 24 80.673 -2.840 2.125 1.00 0.00 H new ATOM 0 HZ PHE C 24 80.221 -3.150 -0.294 1.00 0.00 H new ATOM 387 N ASP C 25 75.974 3.220 2.918 1.00 0.00 N ATOM 388 CA ASP C 25 74.881 4.132 2.597 1.00 0.00 C ATOM 389 C ASP C 25 75.426 5.505 2.217 1.00 0.00 C ATOM 390 O ASP C 25 74.665 6.438 1.955 1.00 0.00 O ATOM 391 CB ASP C 25 73.943 4.286 3.797 1.00 0.00 C ATOM 392 CG ASP C 25 72.607 3.619 3.489 1.00 0.00 C ATOM 393 OD1 ASP C 25 72.606 2.423 3.248 1.00 0.00 O ATOM 394 OD2 ASP C 25 71.605 4.314 3.501 1.00 0.00 O ATOM 0 H ASP C 25 76.143 3.093 3.916 1.00 0.00 H new ATOM 0 HA ASP C 25 74.330 3.713 1.755 1.00 0.00 H new ATOM 0 HB2 ASP C 25 74.391 3.835 4.682 1.00 0.00 H new ATOM 0 HB3 ASP C 25 73.791 5.342 4.020 1.00 0.00 H new ATOM 399 N ILE C 26 76.753 5.622 2.189 1.00 0.00 N ATOM 400 CA ILE C 26 77.384 6.890 1.837 1.00 0.00 C ATOM 401 C ILE C 26 78.214 6.724 0.568 1.00 0.00 C ATOM 402 O ILE C 26 78.267 7.617 -0.278 1.00 0.00 O ATOM 403 CB ILE C 26 78.290 7.398 2.964 1.00 0.00 C ATOM 404 CG1 ILE C 26 78.062 6.575 4.237 1.00 0.00 C ATOM 405 CG2 ILE C 26 77.974 8.869 3.243 1.00 0.00 C ATOM 406 CD1 ILE C 26 76.749 6.988 4.904 1.00 0.00 C ATOM 0 H ILE C 26 77.403 4.865 2.403 1.00 0.00 H new ATOM 0 HA ILE C 26 76.591 7.619 1.674 1.00 0.00 H new ATOM 0 HB ILE C 26 79.331 7.296 2.659 1.00 0.00 H new ATOM 0 HG12 ILE C 26 78.036 5.513 3.993 1.00 0.00 H new ATOM 0 HG13 ILE C 26 78.892 6.723 4.928 1.00 0.00 H new ATOM 0 HG21 ILE C 26 78.617 9.234 4.044 1.00 0.00 H new ATOM 0 HG22 ILE C 26 78.149 9.456 2.342 1.00 0.00 H new ATOM 0 HG23 ILE C 26 76.930 8.967 3.542 1.00 0.00 H new ATOM 0 HD11 ILE C 26 76.598 6.397 5.807 1.00 0.00 H new ATOM 0 HD12 ILE C 26 76.791 8.045 5.165 1.00 0.00 H new ATOM 0 HD13 ILE C 26 75.922 6.817 4.215 1.00 0.00 H new ATOM 418 N PHE C 27 78.855 5.563 0.442 1.00 0.00 N ATOM 419 CA PHE C 27 79.675 5.281 -0.734 1.00 0.00 C ATOM 420 C PHE C 27 78.801 5.261 -1.984 1.00 0.00 C ATOM 421 O PHE C 27 79.271 5.510 -3.095 1.00 0.00 O ATOM 422 CB PHE C 27 80.376 3.927 -0.592 1.00 0.00 C ATOM 423 CG PHE C 27 81.600 4.077 0.281 1.00 0.00 C ATOM 424 CD1 PHE C 27 81.512 4.763 1.498 1.00 0.00 C ATOM 425 CD2 PHE C 27 82.823 3.529 -0.126 1.00 0.00 C ATOM 426 CE1 PHE C 27 82.646 4.902 2.307 1.00 0.00 C ATOM 427 CE2 PHE C 27 83.957 3.667 0.683 1.00 0.00 C ATOM 428 CZ PHE C 27 83.868 4.354 1.899 1.00 0.00 C ATOM 0 H PHE C 27 78.823 4.811 1.131 1.00 0.00 H new ATOM 0 HA PHE C 27 80.428 6.065 -0.821 1.00 0.00 H new ATOM 0 HB2 PHE C 27 79.694 3.197 -0.156 1.00 0.00 H new ATOM 0 HB3 PHE C 27 80.662 3.550 -1.574 1.00 0.00 H new ATOM 0 HD1 PHE C 27 80.569 5.185 1.813 1.00 0.00 H new ATOM 0 HD2 PHE C 27 82.891 3.000 -1.065 1.00 0.00 H new ATOM 0 HE1 PHE C 27 82.578 5.432 3.246 1.00 0.00 H new ATOM 0 HE2 PHE C 27 84.900 3.244 0.369 1.00 0.00 H new ATOM 0 HZ PHE C 27 84.743 4.462 2.523 1.00 0.00 H new ATOM 438 N VAL C 28 77.520 4.965 -1.785 1.00 0.00 N ATOM 439 CA VAL C 28 76.574 4.916 -2.896 1.00 0.00 C ATOM 440 C VAL C 28 75.268 5.596 -2.502 1.00 0.00 C ATOM 441 O VAL C 28 74.179 5.115 -2.817 1.00 0.00 O ATOM 442 CB VAL C 28 76.281 3.467 -3.290 1.00 0.00 C ATOM 443 CG1 VAL C 28 77.576 2.784 -3.733 1.00 0.00 C ATOM 444 CG2 VAL C 28 75.697 2.719 -2.090 1.00 0.00 C ATOM 0 H VAL C 28 77.115 4.757 -0.872 1.00 0.00 H new ATOM 0 HA VAL C 28 77.020 5.436 -3.744 1.00 0.00 H new ATOM 0 HB VAL C 28 75.564 3.454 -4.111 1.00 0.00 H new ATOM 0 HG11 VAL C 28 77.366 1.752 -4.013 1.00 0.00 H new ATOM 0 HG12 VAL C 28 77.993 3.315 -4.589 1.00 0.00 H new ATOM 0 HG13 VAL C 28 78.294 2.798 -2.913 1.00 0.00 H new ATOM 0 HG21 VAL C 28 75.488 1.687 -2.371 1.00 0.00 H new ATOM 0 HG22 VAL C 28 76.413 2.734 -1.268 1.00 0.00 H new ATOM 0 HG23 VAL C 28 74.773 3.203 -1.774 1.00 0.00 H new ATOM 454 N LEU C 29 75.391 6.721 -1.803 1.00 0.00 N ATOM 455 CA LEU C 29 74.216 7.466 -1.361 1.00 0.00 C ATOM 456 C LEU C 29 73.598 8.241 -2.528 1.00 0.00 C ATOM 457 O LEU C 29 72.581 8.917 -2.372 1.00 0.00 O ATOM 458 CB LEU C 29 74.598 8.431 -0.224 1.00 0.00 C ATOM 459 CG LEU C 29 75.060 9.778 -0.792 1.00 0.00 C ATOM 460 CD1 LEU C 29 73.860 10.719 -0.915 1.00 0.00 C ATOM 461 CD2 LEU C 29 76.098 10.396 0.148 1.00 0.00 C ATOM 0 H LEU C 29 76.284 7.134 -1.532 1.00 0.00 H new ATOM 0 HA LEU C 29 73.476 6.757 -0.989 1.00 0.00 H new ATOM 0 HB2 LEU C 29 73.743 8.582 0.435 1.00 0.00 H new ATOM 0 HB3 LEU C 29 75.393 7.993 0.380 1.00 0.00 H new ATOM 0 HG LEU C 29 75.504 9.625 -1.776 1.00 0.00 H new ATOM 0 HD11 LEU C 29 74.188 11.677 -1.319 1.00 0.00 H new ATOM 0 HD12 LEU C 29 73.119 10.279 -1.582 1.00 0.00 H new ATOM 0 HD13 LEU C 29 73.416 10.873 0.069 1.00 0.00 H new ATOM 0 HD21 LEU C 29 76.428 11.354 -0.254 1.00 0.00 H new ATOM 0 HD22 LEU C 29 75.653 10.549 1.131 1.00 0.00 H new ATOM 0 HD23 LEU C 29 76.953 9.726 0.237 1.00 0.00 H new ATOM 473 N GLY C 30 74.225 8.134 -3.699 1.00 0.00 N ATOM 474 CA GLY C 30 73.728 8.828 -4.885 1.00 0.00 C ATOM 475 C GLY C 30 73.845 7.943 -6.122 1.00 0.00 C ATOM 476 O GLY C 30 73.721 8.413 -7.253 1.00 0.00 O ATOM 0 H GLY C 30 75.068 7.580 -3.851 1.00 0.00 H new ATOM 0 HA2 GLY C 30 72.687 9.114 -4.735 1.00 0.00 H new ATOM 0 HA3 GLY C 30 74.293 9.748 -5.036 1.00 0.00 H new ATOM 480 N ALA C 31 74.083 6.655 -5.894 1.00 0.00 N ATOM 481 CA ALA C 31 74.214 5.704 -6.994 1.00 0.00 C ATOM 482 C ALA C 31 72.863 5.085 -7.322 1.00 0.00 C ATOM 483 O ALA C 31 71.936 5.110 -6.512 1.00 0.00 O ATOM 484 CB ALA C 31 75.194 4.590 -6.627 1.00 0.00 C ATOM 0 H ALA C 31 74.189 6.247 -4.965 1.00 0.00 H new ATOM 0 HA ALA C 31 74.590 6.245 -7.863 1.00 0.00 H new ATOM 0 HB1 ALA C 31 75.278 3.891 -7.459 1.00 0.00 H new ATOM 0 HB2 ALA C 31 76.172 5.021 -6.415 1.00 0.00 H new ATOM 0 HB3 ALA C 31 74.831 4.062 -5.745 1.00 0.00 H new ATOM 490 N GLU C 32 72.765 4.529 -8.523 1.00 0.00 N ATOM 491 CA GLU C 32 71.527 3.900 -8.965 1.00 0.00 C ATOM 492 C GLU C 32 71.100 2.815 -7.981 1.00 0.00 C ATOM 493 O GLU C 32 69.912 2.539 -7.818 1.00 0.00 O ATOM 494 CB GLU C 32 71.720 3.280 -10.348 1.00 0.00 C ATOM 495 CG GLU C 32 70.399 3.325 -11.118 1.00 0.00 C ATOM 496 CD GLU C 32 70.652 2.998 -12.586 1.00 0.00 C ATOM 497 OE1 GLU C 32 71.686 2.418 -12.874 1.00 0.00 O ATOM 498 OE2 GLU C 32 69.808 3.333 -13.401 1.00 0.00 O ATOM 0 H GLU C 32 73.523 4.501 -9.205 1.00 0.00 H new ATOM 0 HA GLU C 32 70.751 4.664 -9.013 1.00 0.00 H new ATOM 0 HB2 GLU C 32 72.491 3.821 -10.896 1.00 0.00 H new ATOM 0 HB3 GLU C 32 72.062 2.249 -10.251 1.00 0.00 H new ATOM 0 HG2 GLU C 32 69.694 2.611 -10.692 1.00 0.00 H new ATOM 0 HG3 GLU C 32 69.947 4.313 -11.028 1.00 0.00 H new ATOM 505 N ASP C 33 72.084 2.205 -7.325 1.00 0.00 N ATOM 506 CA ASP C 33 71.800 1.151 -6.354 1.00 0.00 C ATOM 507 C ASP C 33 72.943 1.025 -5.351 1.00 0.00 C ATOM 508 O ASP C 33 72.795 1.361 -4.176 1.00 0.00 O ATOM 509 CB ASP C 33 71.602 -0.192 -7.060 1.00 0.00 C ATOM 510 CG ASP C 33 72.465 -0.241 -8.316 1.00 0.00 C ATOM 511 OD1 ASP C 33 73.664 -0.052 -8.194 1.00 0.00 O ATOM 512 OD2 ASP C 33 71.914 -0.467 -9.381 1.00 0.00 O ATOM 0 H ASP C 33 73.074 2.419 -7.446 1.00 0.00 H new ATOM 0 HA ASP C 33 70.885 1.420 -5.827 1.00 0.00 H new ATOM 0 HB2 ASP C 33 71.870 -1.009 -6.390 1.00 0.00 H new ATOM 0 HB3 ASP C 33 70.552 -0.325 -7.322 1.00 0.00 H new ATOM 517 N GLY C 34 74.087 0.535 -5.825 1.00 0.00 N ATOM 518 CA GLY C 34 75.249 0.370 -4.956 1.00 0.00 C ATOM 519 C GLY C 34 76.544 0.528 -5.746 1.00 0.00 C ATOM 520 O GLY C 34 77.544 -0.133 -5.465 1.00 0.00 O ATOM 0 H GLY C 34 74.233 0.249 -6.793 1.00 0.00 H new ATOM 0 HA2 GLY C 34 75.216 1.106 -4.153 1.00 0.00 H new ATOM 0 HA3 GLY C 34 75.221 -0.614 -4.488 1.00 0.00 H new ATOM 524 N CYS C 35 76.515 1.415 -6.737 1.00 0.00 N ATOM 525 CA CYS C 35 77.694 1.656 -7.564 1.00 0.00 C ATOM 526 C CYS C 35 78.537 2.778 -6.965 1.00 0.00 C ATOM 527 O CYS C 35 78.033 3.863 -6.674 1.00 0.00 O ATOM 528 CB CYS C 35 77.288 2.045 -8.988 1.00 0.00 C ATOM 529 SG CYS C 35 75.783 1.154 -9.458 1.00 0.00 S ATOM 0 H CYS C 35 75.698 1.973 -6.985 1.00 0.00 H new ATOM 0 HA CYS C 35 78.275 0.735 -7.596 1.00 0.00 H new ATOM 0 HB2 CYS C 35 77.119 3.120 -9.048 1.00 0.00 H new ATOM 0 HB3 CYS C 35 78.094 1.810 -9.683 1.00 0.00 H new ATOM 0 HG CYS C 35 75.052 0.949 -8.402 1.00 0.00 H new ATOM 535 N ILE C 36 79.825 2.504 -6.784 1.00 0.00 N ATOM 536 CA ILE C 36 80.730 3.499 -6.217 1.00 0.00 C ATOM 537 C ILE C 36 81.670 4.039 -7.289 1.00 0.00 C ATOM 538 O ILE C 36 82.789 3.554 -7.455 1.00 0.00 O ATOM 539 CB ILE C 36 81.563 2.887 -5.090 1.00 0.00 C ATOM 540 CG1 ILE C 36 80.633 2.234 -4.065 1.00 0.00 C ATOM 541 CG2 ILE C 36 82.383 3.982 -4.407 1.00 0.00 C ATOM 542 CD1 ILE C 36 81.410 1.188 -3.263 1.00 0.00 C ATOM 0 H ILE C 36 80.262 1.613 -7.018 1.00 0.00 H new ATOM 0 HA ILE C 36 80.124 4.314 -5.820 1.00 0.00 H new ATOM 0 HB ILE C 36 82.235 2.135 -5.504 1.00 0.00 H new ATOM 0 HG12 ILE C 36 80.224 2.991 -3.395 1.00 0.00 H new ATOM 0 HG13 ILE C 36 79.788 1.766 -4.571 1.00 0.00 H new ATOM 0 HG21 ILE C 36 82.976 3.545 -3.604 1.00 0.00 H new ATOM 0 HG22 ILE C 36 83.046 4.448 -5.136 1.00 0.00 H new ATOM 0 HG23 ILE C 36 81.712 4.735 -3.994 1.00 0.00 H new ATOM 0 HD11 ILE C 36 80.747 0.723 -2.533 1.00 0.00 H new ATOM 0 HD12 ILE C 36 81.797 0.425 -3.939 1.00 0.00 H new ATOM 0 HD13 ILE C 36 82.240 1.669 -2.745 1.00 0.00 H new ATOM 554 N SER C 37 81.204 5.053 -8.013 1.00 0.00 N ATOM 555 CA SER C 37 82.015 5.657 -9.066 1.00 0.00 C ATOM 556 C SER C 37 83.194 6.409 -8.457 1.00 0.00 C ATOM 557 O SER C 37 83.267 6.598 -7.243 1.00 0.00 O ATOM 558 CB SER C 37 81.177 6.628 -9.899 1.00 0.00 C ATOM 559 OG SER C 37 81.301 7.938 -9.361 1.00 0.00 O ATOM 0 H SER C 37 80.281 5.470 -7.893 1.00 0.00 H new ATOM 0 HA SER C 37 82.384 4.859 -9.710 1.00 0.00 H new ATOM 0 HB2 SER C 37 81.510 6.616 -10.937 1.00 0.00 H new ATOM 0 HB3 SER C 37 80.132 6.319 -9.896 1.00 0.00 H new ATOM 0 HG SER C 37 80.766 8.563 -9.894 1.00 0.00 H new ATOM 565 N THR C 38 84.118 6.833 -9.314 1.00 0.00 N ATOM 566 CA THR C 38 85.295 7.561 -8.849 1.00 0.00 C ATOM 567 C THR C 38 84.879 8.838 -8.124 1.00 0.00 C ATOM 568 O THR C 38 85.386 9.151 -7.047 1.00 0.00 O ATOM 569 CB THR C 38 86.200 7.926 -10.027 1.00 0.00 C ATOM 570 OG1 THR C 38 85.659 9.050 -10.707 1.00 0.00 O ATOM 571 CG2 THR C 38 86.292 6.739 -10.988 1.00 0.00 C ATOM 0 H THR C 38 84.077 6.688 -10.323 1.00 0.00 H new ATOM 0 HA THR C 38 85.841 6.915 -8.161 1.00 0.00 H new ATOM 0 HB THR C 38 87.197 8.170 -9.659 1.00 0.00 H new ATOM 0 HG1 THR C 38 86.239 9.286 -11.461 1.00 0.00 H new ATOM 0 HG21 THR C 38 86.937 6.999 -11.827 1.00 0.00 H new ATOM 0 HG22 THR C 38 86.708 5.878 -10.464 1.00 0.00 H new ATOM 0 HG23 THR C 38 85.297 6.492 -11.358 1.00 0.00 H new ATOM 579 N LYS C 39 83.948 9.571 -8.728 1.00 0.00 N ATOM 580 CA LYS C 39 83.465 10.814 -8.133 1.00 0.00 C ATOM 581 C LYS C 39 82.476 10.521 -7.009 1.00 0.00 C ATOM 582 O LYS C 39 82.217 11.368 -6.155 1.00 0.00 O ATOM 583 CB LYS C 39 82.771 11.679 -9.188 1.00 0.00 C ATOM 584 CG LYS C 39 83.763 12.025 -10.301 1.00 0.00 C ATOM 585 CD LYS C 39 83.016 12.156 -11.630 1.00 0.00 C ATOM 586 CE LYS C 39 83.283 13.536 -12.234 1.00 0.00 C ATOM 587 NZ LYS C 39 82.183 13.891 -13.175 1.00 0.00 N ATOM 0 H LYS C 39 83.516 9.330 -9.620 1.00 0.00 H new ATOM 0 HA LYS C 39 84.326 11.348 -7.731 1.00 0.00 H new ATOM 0 HB2 LYS C 39 81.914 11.148 -9.603 1.00 0.00 H new ATOM 0 HB3 LYS C 39 82.389 12.592 -8.731 1.00 0.00 H new ATOM 0 HG2 LYS C 39 84.277 12.957 -10.067 1.00 0.00 H new ATOM 0 HG3 LYS C 39 84.526 11.250 -10.376 1.00 0.00 H new ATOM 0 HD2 LYS C 39 83.341 11.377 -12.320 1.00 0.00 H new ATOM 0 HD3 LYS C 39 81.946 12.017 -11.473 1.00 0.00 H new ATOM 0 HE2 LYS C 39 83.354 14.283 -11.443 1.00 0.00 H new ATOM 0 HE3 LYS C 39 84.238 13.536 -12.759 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 82.366 14.829 -13.585 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 82.136 13.184 -13.936 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 81.279 13.908 -12.661 1.00 0.00 H new ATOM 601 N GLU C 40 81.924 9.311 -7.022 1.00 0.00 N ATOM 602 CA GLU C 40 80.958 8.914 -6.000 1.00 0.00 C ATOM 603 C GLU C 40 81.656 8.681 -4.663 1.00 0.00 C ATOM 604 O GLU C 40 81.135 9.033 -3.605 1.00 0.00 O ATOM 605 CB GLU C 40 80.237 7.630 -6.413 1.00 0.00 C ATOM 606 CG GLU C 40 78.724 7.841 -6.322 1.00 0.00 C ATOM 607 CD GLU C 40 78.359 8.314 -4.919 1.00 0.00 C ATOM 608 OE1 GLU C 40 79.046 7.929 -3.988 1.00 0.00 O ATOM 609 OE2 GLU C 40 77.398 9.055 -4.797 1.00 0.00 O ATOM 0 H GLU C 40 82.125 8.595 -7.720 1.00 0.00 H new ATOM 0 HA GLU C 40 80.233 9.721 -5.895 1.00 0.00 H new ATOM 0 HB2 GLU C 40 80.516 7.355 -7.430 1.00 0.00 H new ATOM 0 HB3 GLU C 40 80.539 6.807 -5.766 1.00 0.00 H new ATOM 0 HG2 GLU C 40 78.404 8.577 -7.060 1.00 0.00 H new ATOM 0 HG3 GLU C 40 78.202 6.912 -6.551 1.00 0.00 H new ATOM 616 N LEU C 41 82.840 8.078 -4.725 1.00 0.00 N ATOM 617 CA LEU C 41 83.605 7.794 -3.514 1.00 0.00 C ATOM 618 C LEU C 41 84.236 9.069 -2.966 1.00 0.00 C ATOM 619 O LEU C 41 84.455 9.203 -1.761 1.00 0.00 O ATOM 620 CB LEU C 41 84.710 6.777 -3.805 1.00 0.00 C ATOM 621 CG LEU C 41 85.570 6.585 -2.556 1.00 0.00 C ATOM 622 CD1 LEU C 41 84.751 5.882 -1.473 1.00 0.00 C ATOM 623 CD2 LEU C 41 86.791 5.731 -2.905 1.00 0.00 C ATOM 0 H LEU C 41 83.287 7.779 -5.592 1.00 0.00 H new ATOM 0 HA LEU C 41 82.918 7.384 -2.774 1.00 0.00 H new ATOM 0 HB2 LEU C 41 84.272 5.826 -4.108 1.00 0.00 H new ATOM 0 HB3 LEU C 41 85.327 7.122 -4.635 1.00 0.00 H new ATOM 0 HG LEU C 41 85.897 7.558 -2.189 1.00 0.00 H new ATOM 0 HD11 LEU C 41 85.365 5.746 -0.583 1.00 0.00 H new ATOM 0 HD12 LEU C 41 83.881 6.489 -1.224 1.00 0.00 H new ATOM 0 HD13 LEU C 41 84.422 4.909 -1.839 1.00 0.00 H new ATOM 0 HD21 LEU C 41 87.405 5.593 -2.015 1.00 0.00 H new ATOM 0 HD22 LEU C 41 86.462 4.759 -3.273 1.00 0.00 H new ATOM 0 HD23 LEU C 41 87.377 6.231 -3.676 1.00 0.00 H new ATOM 635 N GLY C 42 84.529 10.004 -3.865 1.00 0.00 N ATOM 636 CA GLY C 42 85.139 11.269 -3.464 1.00 0.00 C ATOM 637 C GLY C 42 84.198 12.067 -2.567 1.00 0.00 C ATOM 638 O GLY C 42 84.613 13.010 -1.893 1.00 0.00 O ATOM 0 H GLY C 42 84.356 9.912 -4.866 1.00 0.00 H new ATOM 0 HA2 GLY C 42 86.073 11.076 -2.937 1.00 0.00 H new ATOM 0 HA3 GLY C 42 85.387 11.854 -4.349 1.00 0.00 H new ATOM 642 N LYS C 43 82.927 11.677 -2.565 1.00 0.00 N ATOM 643 CA LYS C 43 81.933 12.365 -1.744 1.00 0.00 C ATOM 644 C LYS C 43 81.961 11.833 -0.314 1.00 0.00 C ATOM 645 O LYS C 43 81.611 12.538 0.633 1.00 0.00 O ATOM 646 CB LYS C 43 80.530 12.171 -2.323 1.00 0.00 C ATOM 647 CG LYS C 43 80.170 13.367 -3.207 1.00 0.00 C ATOM 648 CD LYS C 43 78.730 13.801 -2.920 1.00 0.00 C ATOM 649 CE LYS C 43 78.715 15.264 -2.471 1.00 0.00 C ATOM 650 NZ LYS C 43 78.312 16.132 -3.615 1.00 0.00 N ATOM 0 H LYS C 43 82.563 10.899 -3.115 1.00 0.00 H new ATOM 0 HA LYS C 43 82.178 13.427 -1.740 1.00 0.00 H new ATOM 0 HB2 LYS C 43 80.490 11.250 -2.905 1.00 0.00 H new ATOM 0 HB3 LYS C 43 79.804 12.070 -1.517 1.00 0.00 H new ATOM 0 HG2 LYS C 43 80.855 14.193 -3.015 1.00 0.00 H new ATOM 0 HG3 LYS C 43 80.278 13.101 -4.258 1.00 0.00 H new ATOM 0 HD2 LYS C 43 78.117 13.678 -3.813 1.00 0.00 H new ATOM 0 HD3 LYS C 43 78.296 13.168 -2.146 1.00 0.00 H new ATOM 0 HE2 LYS C 43 78.021 15.393 -1.641 1.00 0.00 H new ATOM 0 HE3 LYS C 43 79.702 15.555 -2.110 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 78.302 17.126 -3.310 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 78.991 16.016 -4.395 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 77.362 15.860 -3.940 1.00 0.00 H new ATOM 664 N VAL C 44 82.381 10.577 -0.168 1.00 0.00 N ATOM 665 CA VAL C 44 82.453 9.954 1.152 1.00 0.00 C ATOM 666 C VAL C 44 83.791 10.278 1.818 1.00 0.00 C ATOM 667 O VAL C 44 83.843 10.717 2.967 1.00 0.00 O ATOM 668 CB VAL C 44 82.266 8.428 1.031 1.00 0.00 C ATOM 669 CG1 VAL C 44 83.616 7.715 0.876 1.00 0.00 C ATOM 670 CG2 VAL C 44 81.556 7.901 2.281 1.00 0.00 C ATOM 0 H VAL C 44 82.674 9.977 -0.939 1.00 0.00 H new ATOM 0 HA VAL C 44 81.652 10.354 1.773 1.00 0.00 H new ATOM 0 HB VAL C 44 81.666 8.226 0.144 1.00 0.00 H new ATOM 0 HG11 VAL C 44 83.453 6.641 0.793 1.00 0.00 H new ATOM 0 HG12 VAL C 44 84.117 8.076 -0.022 1.00 0.00 H new ATOM 0 HG13 VAL C 44 84.238 7.921 1.747 1.00 0.00 H new ATOM 0 HG21 VAL C 44 81.423 6.822 2.197 1.00 0.00 H new ATOM 0 HG22 VAL C 44 82.157 8.125 3.162 1.00 0.00 H new ATOM 0 HG23 VAL C 44 80.582 8.380 2.375 1.00 0.00 H new ATOM 680 N MET C 45 84.870 10.055 1.074 1.00 0.00 N ATOM 681 CA MET C 45 86.212 10.324 1.586 1.00 0.00 C ATOM 682 C MET C 45 86.238 11.643 2.353 1.00 0.00 C ATOM 683 O MET C 45 86.633 11.693 3.517 1.00 0.00 O ATOM 684 CB MET C 45 87.218 10.396 0.434 1.00 0.00 C ATOM 685 CG MET C 45 87.355 9.016 -0.212 1.00 0.00 C ATOM 686 SD MET C 45 88.793 8.165 0.482 1.00 0.00 S ATOM 687 CE MET C 45 88.031 7.671 2.047 1.00 0.00 C ATOM 0 H MET C 45 84.844 9.691 0.121 1.00 0.00 H new ATOM 0 HA MET C 45 86.485 9.510 2.258 1.00 0.00 H new ATOM 0 HB2 MET C 45 86.887 11.124 -0.306 1.00 0.00 H new ATOM 0 HB3 MET C 45 88.186 10.734 0.803 1.00 0.00 H new ATOM 0 HG2 MET C 45 86.453 8.430 -0.037 1.00 0.00 H new ATOM 0 HG3 MET C 45 87.465 9.117 -1.292 1.00 0.00 H new ATOM 0 HE1 MET C 45 88.506 6.760 2.411 1.00 0.00 H new ATOM 0 HE2 MET C 45 88.160 8.466 2.781 1.00 0.00 H new ATOM 0 HE3 MET C 45 86.968 7.489 1.892 1.00 0.00 H new ATOM 697 N ARG C 46 85.813 12.710 1.683 1.00 0.00 N ATOM 698 CA ARG C 46 85.791 14.032 2.305 1.00 0.00 C ATOM 699 C ARG C 46 85.292 13.942 3.745 1.00 0.00 C ATOM 700 O ARG C 46 85.733 14.690 4.618 1.00 0.00 O ATOM 701 CB ARG C 46 84.879 14.975 1.519 1.00 0.00 C ATOM 702 CG ARG C 46 83.420 14.559 1.714 1.00 0.00 C ATOM 703 CD ARG C 46 82.532 15.365 0.765 1.00 0.00 C ATOM 704 NE ARG C 46 82.149 16.635 1.378 1.00 0.00 N ATOM 705 CZ ARG C 46 81.780 17.676 0.635 1.00 0.00 C ATOM 706 NH1 ARG C 46 81.741 17.573 -0.666 1.00 0.00 N ATOM 707 NH2 ARG C 46 81.453 18.802 1.209 1.00 0.00 N ATOM 0 H ARG C 46 85.482 12.688 0.718 1.00 0.00 H new ATOM 0 HA ARG C 46 86.809 14.421 2.301 1.00 0.00 H new ATOM 0 HB2 ARG C 46 85.023 16.001 1.856 1.00 0.00 H new ATOM 0 HB3 ARG C 46 85.137 14.948 0.460 1.00 0.00 H new ATOM 0 HG2 ARG C 46 83.305 13.493 1.520 1.00 0.00 H new ATOM 0 HG3 ARG C 46 83.116 14.729 2.747 1.00 0.00 H new ATOM 0 HD2 ARG C 46 83.062 15.550 -0.169 1.00 0.00 H new ATOM 0 HD3 ARG C 46 81.640 14.791 0.516 1.00 0.00 H new ATOM 0 HE ARG C 46 82.165 16.725 2.394 1.00 0.00 H new ATOM 0 HH11 ARG C 46 81.994 16.693 -1.116 1.00 0.00 H new ATOM 0 HH12 ARG C 46 81.458 18.372 -1.233 1.00 0.00 H new ATOM 0 HH21 ARG C 46 81.481 18.883 2.225 1.00 0.00 H new ATOM 0 HH22 ARG C 46 81.170 19.601 0.641 1.00 0.00 H new ATOM 721 N MET C 47 84.366 13.017 3.980 1.00 0.00 N ATOM 722 CA MET C 47 83.808 12.834 5.317 1.00 0.00 C ATOM 723 C MET C 47 84.792 12.088 6.214 1.00 0.00 C ATOM 724 O MET C 47 85.115 12.539 7.313 1.00 0.00 O ATOM 725 CB MET C 47 82.501 12.042 5.244 1.00 0.00 C ATOM 726 CG MET C 47 81.601 12.645 4.166 1.00 0.00 C ATOM 727 SD MET C 47 79.965 12.981 4.862 1.00 0.00 S ATOM 728 CE MET C 47 79.579 11.287 5.366 1.00 0.00 C ATOM 0 H MET C 47 83.989 12.388 3.271 1.00 0.00 H new ATOM 0 HA MET C 47 83.615 13.821 5.738 1.00 0.00 H new ATOM 0 HB2 MET C 47 82.709 10.996 5.017 1.00 0.00 H new ATOM 0 HB3 MET C 47 81.995 12.064 6.209 1.00 0.00 H new ATOM 0 HG2 MET C 47 82.041 13.566 3.784 1.00 0.00 H new ATOM 0 HG3 MET C 47 81.515 11.959 3.323 1.00 0.00 H new ATOM 0 HE1 MET C 47 78.519 11.092 5.204 1.00 0.00 H new ATOM 0 HE2 MET C 47 80.171 10.588 4.776 1.00 0.00 H new ATOM 0 HE3 MET C 47 79.814 11.159 6.423 1.00 0.00 H new ATOM 738 N LEU C 48 85.262 10.940 5.734 1.00 0.00 N ATOM 739 CA LEU C 48 86.208 10.134 6.504 1.00 0.00 C ATOM 740 C LEU C 48 87.311 11.012 7.088 1.00 0.00 C ATOM 741 O LEU C 48 87.898 10.689 8.121 1.00 0.00 O ATOM 742 CB LEU C 48 86.840 9.058 5.619 1.00 0.00 C ATOM 743 CG LEU C 48 86.002 7.781 5.692 1.00 0.00 C ATOM 744 CD1 LEU C 48 84.670 8.001 4.972 1.00 0.00 C ATOM 745 CD2 LEU C 48 86.759 6.635 5.018 1.00 0.00 C ATOM 0 H LEU C 48 85.008 10.549 4.827 1.00 0.00 H new ATOM 0 HA LEU C 48 85.658 9.658 7.316 1.00 0.00 H new ATOM 0 HB2 LEU C 48 86.899 9.408 4.589 1.00 0.00 H new ATOM 0 HB3 LEU C 48 87.860 8.856 5.946 1.00 0.00 H new ATOM 0 HG LEU C 48 85.814 7.531 6.736 1.00 0.00 H new ATOM 0 HD11 LEU C 48 84.073 7.090 5.024 1.00 0.00 H new ATOM 0 HD12 LEU C 48 84.129 8.818 5.450 1.00 0.00 H new ATOM 0 HD13 LEU C 48 84.858 8.252 3.928 1.00 0.00 H new ATOM 0 HD21 LEU C 48 86.162 5.724 5.070 1.00 0.00 H new ATOM 0 HD22 LEU C 48 86.947 6.887 3.974 1.00 0.00 H new ATOM 0 HD23 LEU C 48 87.709 6.476 5.529 1.00 0.00 H new ATOM 757 N GLY C 49 87.587 12.127 6.417 1.00 0.00 N ATOM 758 CA GLY C 49 88.623 13.047 6.880 1.00 0.00 C ATOM 759 C GLY C 49 89.743 13.167 5.851 1.00 0.00 C ATOM 760 O GLY C 49 90.881 13.495 6.187 1.00 0.00 O ATOM 0 H GLY C 49 87.114 12.414 5.560 1.00 0.00 H new ATOM 0 HA2 GLY C 49 88.187 14.029 7.065 1.00 0.00 H new ATOM 0 HA3 GLY C 49 89.030 12.695 7.828 1.00 0.00 H new ATOM 764 N GLN C 50 89.406 12.901 4.593 1.00 0.00 N ATOM 765 CA GLN C 50 90.390 12.985 3.516 1.00 0.00 C ATOM 766 C GLN C 50 89.780 13.661 2.294 1.00 0.00 C ATOM 767 O GLN C 50 88.608 13.462 1.978 1.00 0.00 O ATOM 768 CB GLN C 50 90.875 11.588 3.122 1.00 0.00 C ATOM 769 CG GLN C 50 92.255 11.335 3.732 1.00 0.00 C ATOM 770 CD GLN C 50 92.234 10.027 4.515 1.00 0.00 C ATOM 771 OE1 GLN C 50 91.783 8.999 4.008 1.00 0.00 O ATOM 772 NE2 GLN C 50 92.702 10.002 5.732 1.00 0.00 N ATOM 0 H GLN C 50 88.470 12.628 4.295 1.00 0.00 H new ATOM 0 HA GLN C 50 91.235 13.573 3.876 1.00 0.00 H new ATOM 0 HB2 GLN C 50 90.168 10.835 3.470 1.00 0.00 H new ATOM 0 HB3 GLN C 50 90.924 11.501 2.037 1.00 0.00 H new ATOM 0 HG2 GLN C 50 93.009 11.288 2.946 1.00 0.00 H new ATOM 0 HG3 GLN C 50 92.530 12.160 4.389 1.00 0.00 H new ATOM 0 HE21 GLN C 50 93.076 10.853 6.152 1.00 0.00 H new ATOM 0 HE22 GLN C 50 92.694 9.131 6.264 1.00 0.00 H new ATOM 781 N ASN C 51 90.590 14.466 1.611 1.00 0.00 N ATOM 782 CA ASN C 51 90.121 15.173 0.422 1.00 0.00 C ATOM 783 C ASN C 51 90.836 14.655 -0.822 1.00 0.00 C ATOM 784 O ASN C 51 91.808 15.248 -1.290 1.00 0.00 O ATOM 785 CB ASN C 51 90.381 16.674 0.559 1.00 0.00 C ATOM 786 CG ASN C 51 90.099 17.366 -0.771 1.00 0.00 C ATOM 787 OD1 ASN C 51 90.693 18.399 -1.078 1.00 0.00 O ATOM 788 ND2 ASN C 51 89.220 16.852 -1.586 1.00 0.00 N ATOM 0 H ASN C 51 91.564 14.644 1.857 1.00 0.00 H new ATOM 0 HA ASN C 51 89.050 14.997 0.324 1.00 0.00 H new ATOM 0 HB2 ASN C 51 89.747 17.093 1.340 1.00 0.00 H new ATOM 0 HB3 ASN C 51 91.414 16.848 0.859 1.00 0.00 H new ATOM 0 HD21 ASN C 51 89.025 17.306 -2.478 1.00 0.00 H new ATOM 0 HD22 ASN C 51 88.728 15.996 -1.331 1.00 0.00 H new ATOM 795 N PRO C 52 90.353 13.542 -1.366 1.00 0.00 N ATOM 796 CA PRO C 52 90.939 12.928 -2.570 1.00 0.00 C ATOM 797 C PRO C 52 90.488 13.615 -3.857 1.00 0.00 C ATOM 798 O PRO C 52 89.862 14.675 -3.824 1.00 0.00 O ATOM 799 CB PRO C 52 90.403 11.503 -2.495 1.00 0.00 C ATOM 800 CG PRO C 52 89.132 11.549 -1.654 1.00 0.00 C ATOM 801 CD PRO C 52 89.188 12.827 -0.811 1.00 0.00 C ATOM 0 HA PRO C 52 92.026 12.999 -2.595 1.00 0.00 H new ATOM 0 HB2 PRO C 52 90.192 11.117 -3.492 1.00 0.00 H new ATOM 0 HB3 PRO C 52 91.139 10.837 -2.045 1.00 0.00 H new ATOM 0 HG2 PRO C 52 88.249 11.549 -2.293 1.00 0.00 H new ATOM 0 HG3 PRO C 52 89.063 10.669 -1.014 1.00 0.00 H new ATOM 0 HD2 PRO C 52 88.273 13.412 -0.905 1.00 0.00 H new ATOM 0 HD3 PRO C 52 89.318 12.606 0.248 1.00 0.00 H new ATOM 809 N THR C 53 90.816 13.001 -4.991 1.00 0.00 N ATOM 810 CA THR C 53 90.442 13.565 -6.285 1.00 0.00 C ATOM 811 C THR C 53 89.795 12.501 -7.163 1.00 0.00 C ATOM 812 O THR C 53 89.770 11.320 -6.817 1.00 0.00 O ATOM 813 CB THR C 53 91.674 14.120 -7.004 1.00 0.00 C ATOM 814 OG1 THR C 53 92.845 13.749 -6.288 1.00 0.00 O ATOM 815 CG2 THR C 53 91.580 15.644 -7.080 1.00 0.00 C ATOM 0 H THR C 53 91.334 12.124 -5.041 1.00 0.00 H new ATOM 0 HA THR C 53 89.731 14.372 -6.106 1.00 0.00 H new ATOM 0 HB THR C 53 91.721 13.712 -8.014 1.00 0.00 H new ATOM 0 HG1 THR C 53 93.635 14.102 -6.748 1.00 0.00 H new ATOM 0 HG21 THR C 53 92.458 16.038 -7.592 1.00 0.00 H new ATOM 0 HG22 THR C 53 90.682 15.926 -7.630 1.00 0.00 H new ATOM 0 HG23 THR C 53 91.533 16.056 -6.072 1.00 0.00 H new ATOM 823 N PRO C 54 89.273 12.917 -8.314 1.00 0.00 N ATOM 824 CA PRO C 54 88.622 12.002 -9.266 1.00 0.00 C ATOM 825 C PRO C 54 89.635 11.243 -10.119 1.00 0.00 C ATOM 826 O PRO C 54 89.329 10.198 -10.693 1.00 0.00 O ATOM 827 CB PRO C 54 87.795 12.956 -10.118 1.00 0.00 C ATOM 828 CG PRO C 54 88.451 14.329 -10.011 1.00 0.00 C ATOM 829 CD PRO C 54 89.303 14.330 -8.737 1.00 0.00 C ATOM 0 HA PRO C 54 88.038 11.223 -8.777 1.00 0.00 H new ATOM 0 HB2 PRO C 54 87.767 12.622 -11.155 1.00 0.00 H new ATOM 0 HB3 PRO C 54 86.764 12.992 -9.766 1.00 0.00 H new ATOM 0 HG2 PRO C 54 89.069 14.529 -10.886 1.00 0.00 H new ATOM 0 HG3 PRO C 54 87.695 15.113 -9.968 1.00 0.00 H new ATOM 0 HD2 PRO C 54 90.320 14.671 -8.932 1.00 0.00 H new ATOM 0 HD3 PRO C 54 88.887 14.988 -7.974 1.00 0.00 H new ATOM 837 N GLU C 55 90.848 11.782 -10.188 1.00 0.00 N ATOM 838 CA GLU C 55 91.909 11.151 -10.965 1.00 0.00 C ATOM 839 C GLU C 55 92.633 10.111 -10.119 1.00 0.00 C ATOM 840 O GLU C 55 93.206 9.153 -10.641 1.00 0.00 O ATOM 841 CB GLU C 55 92.920 12.195 -11.442 1.00 0.00 C ATOM 842 CG GLU C 55 92.195 13.277 -12.242 1.00 0.00 C ATOM 843 CD GLU C 55 91.687 12.686 -13.551 1.00 0.00 C ATOM 844 OE1 GLU C 55 92.452 12.653 -14.501 1.00 0.00 O ATOM 845 OE2 GLU C 55 90.539 12.273 -13.586 1.00 0.00 O ATOM 0 H GLU C 55 91.119 12.647 -9.720 1.00 0.00 H new ATOM 0 HA GLU C 55 91.453 10.669 -11.830 1.00 0.00 H new ATOM 0 HB2 GLU C 55 93.430 12.640 -10.588 1.00 0.00 H new ATOM 0 HB3 GLU C 55 93.684 11.722 -12.059 1.00 0.00 H new ATOM 0 HG2 GLU C 55 91.362 13.676 -11.663 1.00 0.00 H new ATOM 0 HG3 GLU C 55 92.870 14.109 -12.444 1.00 0.00 H new ATOM 852 N GLU C 56 92.601 10.311 -8.804 1.00 0.00 N ATOM 853 CA GLU C 56 93.257 9.384 -7.887 1.00 0.00 C ATOM 854 C GLU C 56 92.296 8.270 -7.487 1.00 0.00 C ATOM 855 O GLU C 56 92.710 7.150 -7.190 1.00 0.00 O ATOM 856 CB GLU C 56 93.724 10.115 -6.627 1.00 0.00 C ATOM 857 CG GLU C 56 94.628 11.284 -7.021 1.00 0.00 C ATOM 858 CD GLU C 56 95.143 11.976 -5.764 1.00 0.00 C ATOM 859 OE1 GLU C 56 94.514 11.828 -4.729 1.00 0.00 O ATOM 860 OE2 GLU C 56 96.159 12.645 -5.855 1.00 0.00 O ATOM 0 H GLU C 56 92.133 11.098 -8.354 1.00 0.00 H new ATOM 0 HA GLU C 56 94.121 8.958 -8.397 1.00 0.00 H new ATOM 0 HB2 GLU C 56 92.864 10.480 -6.065 1.00 0.00 H new ATOM 0 HB3 GLU C 56 94.263 9.429 -5.974 1.00 0.00 H new ATOM 0 HG2 GLU C 56 95.465 10.924 -7.620 1.00 0.00 H new ATOM 0 HG3 GLU C 56 94.076 11.992 -7.638 1.00 0.00 H new ATOM 867 N LEU C 57 91.005 8.592 -7.486 1.00 0.00 N ATOM 868 CA LEU C 57 89.988 7.611 -7.125 1.00 0.00 C ATOM 869 C LEU C 57 89.936 6.501 -8.166 1.00 0.00 C ATOM 870 O LEU C 57 89.962 5.316 -7.834 1.00 0.00 O ATOM 871 CB LEU C 57 88.612 8.274 -7.028 1.00 0.00 C ATOM 872 CG LEU C 57 88.508 9.037 -5.708 1.00 0.00 C ATOM 873 CD1 LEU C 57 87.441 10.126 -5.828 1.00 0.00 C ATOM 874 CD2 LEU C 57 88.122 8.067 -4.589 1.00 0.00 C ATOM 0 H LEU C 57 90.642 9.514 -7.728 1.00 0.00 H new ATOM 0 HA LEU C 57 90.252 7.190 -6.155 1.00 0.00 H new ATOM 0 HB2 LEU C 57 88.464 8.954 -7.867 1.00 0.00 H new ATOM 0 HB3 LEU C 57 87.828 7.520 -7.087 1.00 0.00 H new ATOM 0 HG LEU C 57 89.469 9.496 -5.478 1.00 0.00 H new ATOM 0 HD11 LEU C 57 87.368 10.669 -4.886 1.00 0.00 H new ATOM 0 HD12 LEU C 57 87.715 10.817 -6.625 1.00 0.00 H new ATOM 0 HD13 LEU C 57 86.479 9.669 -6.059 1.00 0.00 H new ATOM 0 HD21 LEU C 57 88.047 8.610 -3.647 1.00 0.00 H new ATOM 0 HD22 LEU C 57 87.161 7.608 -4.821 1.00 0.00 H new ATOM 0 HD23 LEU C 57 88.883 7.291 -4.502 1.00 0.00 H new ATOM 886 N GLN C 58 89.866 6.900 -9.434 1.00 0.00 N ATOM 887 CA GLN C 58 89.817 5.931 -10.524 1.00 0.00 C ATOM 888 C GLN C 58 90.780 4.782 -10.248 1.00 0.00 C ATOM 889 O GLN C 58 90.442 3.613 -10.428 1.00 0.00 O ATOM 890 CB GLN C 58 90.199 6.591 -11.851 1.00 0.00 C ATOM 891 CG GLN C 58 90.299 5.522 -12.940 1.00 0.00 C ATOM 892 CD GLN C 58 88.943 4.847 -13.114 1.00 0.00 C ATOM 893 OE1 GLN C 58 88.032 5.415 -13.716 1.00 0.00 O ATOM 894 NE2 GLN C 58 88.754 3.655 -12.617 1.00 0.00 N ATOM 0 H GLN C 58 89.842 7.876 -9.729 1.00 0.00 H new ATOM 0 HA GLN C 58 88.798 5.551 -10.592 1.00 0.00 H new ATOM 0 HB2 GLN C 58 89.454 7.338 -12.126 1.00 0.00 H new ATOM 0 HB3 GLN C 58 91.151 7.113 -11.750 1.00 0.00 H new ATOM 0 HG2 GLN C 58 90.616 5.974 -13.880 1.00 0.00 H new ATOM 0 HG3 GLN C 58 91.054 4.783 -12.671 1.00 0.00 H new ATOM 0 HE21 GLN C 58 89.509 3.185 -12.118 1.00 0.00 H new ATOM 0 HE22 GLN C 58 87.851 3.194 -12.727 1.00 0.00 H new ATOM 903 N GLU C 59 91.984 5.130 -9.800 1.00 0.00 N ATOM 904 CA GLU C 59 92.987 4.117 -9.492 1.00 0.00 C ATOM 905 C GLU C 59 92.434 3.140 -8.463 1.00 0.00 C ATOM 906 O GLU C 59 92.639 1.930 -8.558 1.00 0.00 O ATOM 907 CB GLU C 59 94.258 4.763 -8.938 1.00 0.00 C ATOM 908 CG GLU C 59 95.377 4.669 -9.979 1.00 0.00 C ATOM 909 CD GLU C 59 96.492 5.644 -9.619 1.00 0.00 C ATOM 910 OE1 GLU C 59 96.179 6.719 -9.133 1.00 0.00 O ATOM 911 OE2 GLU C 59 97.643 5.303 -9.835 1.00 0.00 O ATOM 0 H GLU C 59 92.285 6.092 -9.644 1.00 0.00 H new ATOM 0 HA GLU C 59 93.232 3.588 -10.413 1.00 0.00 H new ATOM 0 HB2 GLU C 59 94.068 5.806 -8.687 1.00 0.00 H new ATOM 0 HB3 GLU C 59 94.561 4.263 -8.018 1.00 0.00 H new ATOM 0 HG2 GLU C 59 95.767 3.652 -10.017 1.00 0.00 H new ATOM 0 HG3 GLU C 59 94.986 4.898 -10.970 1.00 0.00 H new ATOM 918 N MET C 60 91.717 3.682 -7.482 1.00 0.00 N ATOM 919 CA MET C 60 91.120 2.854 -6.440 1.00 0.00 C ATOM 920 C MET C 60 89.987 2.018 -7.028 1.00 0.00 C ATOM 921 O MET C 60 89.568 1.016 -6.450 1.00 0.00 O ATOM 922 CB MET C 60 90.565 3.727 -5.312 1.00 0.00 C ATOM 923 CG MET C 60 91.703 4.534 -4.683 1.00 0.00 C ATOM 924 SD MET C 60 91.055 6.104 -4.055 1.00 0.00 S ATOM 925 CE MET C 60 90.420 5.479 -2.480 1.00 0.00 C ATOM 0 H MET C 60 91.537 4.681 -7.387 1.00 0.00 H new ATOM 0 HA MET C 60 91.893 2.199 -6.037 1.00 0.00 H new ATOM 0 HB2 MET C 60 89.800 4.399 -5.701 1.00 0.00 H new ATOM 0 HB3 MET C 60 90.087 3.103 -4.557 1.00 0.00 H new ATOM 0 HG2 MET C 60 92.160 3.967 -3.872 1.00 0.00 H new ATOM 0 HG3 MET C 60 92.483 4.720 -5.422 1.00 0.00 H new ATOM 0 HE1 MET C 60 89.968 6.297 -1.919 1.00 0.00 H new ATOM 0 HE2 MET C 60 89.670 4.711 -2.669 1.00 0.00 H new ATOM 0 HE3 MET C 60 91.239 5.052 -1.901 1.00 0.00 H new ATOM 935 N ILE C 61 89.501 2.446 -8.192 1.00 0.00 N ATOM 936 CA ILE C 61 88.419 1.735 -8.866 1.00 0.00 C ATOM 937 C ILE C 61 88.984 0.627 -9.750 1.00 0.00 C ATOM 938 O ILE C 61 88.482 -0.496 -9.761 1.00 0.00 O ATOM 939 CB ILE C 61 87.606 2.697 -9.736 1.00 0.00 C ATOM 940 CG1 ILE C 61 87.227 3.934 -8.917 1.00 0.00 C ATOM 941 CG2 ILE C 61 86.336 1.999 -10.223 1.00 0.00 C ATOM 942 CD1 ILE C 61 86.608 3.501 -7.588 1.00 0.00 C ATOM 0 H ILE C 61 89.837 3.274 -8.684 1.00 0.00 H new ATOM 0 HA ILE C 61 87.773 1.302 -8.103 1.00 0.00 H new ATOM 0 HB ILE C 61 88.205 3.000 -10.595 1.00 0.00 H new ATOM 0 HG12 ILE C 61 88.110 4.547 -8.736 1.00 0.00 H new ATOM 0 HG13 ILE C 61 86.521 4.549 -9.475 1.00 0.00 H new ATOM 0 HG21 ILE C 61 85.758 2.685 -10.842 1.00 0.00 H new ATOM 0 HG22 ILE C 61 86.606 1.121 -10.809 1.00 0.00 H new ATOM 0 HG23 ILE C 61 85.737 1.693 -9.365 1.00 0.00 H new ATOM 0 HD11 ILE C 61 86.339 4.383 -7.007 1.00 0.00 H new ATOM 0 HD12 ILE C 61 85.715 2.907 -7.779 1.00 0.00 H new ATOM 0 HD13 ILE C 61 87.328 2.904 -7.029 1.00 0.00 H new ATOM 954 N ASP C 62 90.039 0.958 -10.491 1.00 0.00 N ATOM 955 CA ASP C 62 90.670 -0.016 -11.378 1.00 0.00 C ATOM 956 C ASP C 62 90.860 -1.345 -10.655 1.00 0.00 C ATOM 957 O ASP C 62 90.841 -2.411 -11.269 1.00 0.00 O ATOM 958 CB ASP C 62 92.032 0.491 -11.855 1.00 0.00 C ATOM 959 CG ASP C 62 92.588 -0.461 -12.908 1.00 0.00 C ATOM 960 OD1 ASP C 62 92.159 -0.370 -14.047 1.00 0.00 O ATOM 961 OD2 ASP C 62 93.433 -1.269 -12.560 1.00 0.00 O ATOM 0 H ASP C 62 90.471 1.882 -10.496 1.00 0.00 H new ATOM 0 HA ASP C 62 90.017 -0.158 -12.239 1.00 0.00 H new ATOM 0 HB2 ASP C 62 91.933 1.493 -12.271 1.00 0.00 H new ATOM 0 HB3 ASP C 62 92.721 0.562 -11.013 1.00 0.00 H new ATOM 966 N GLU C 63 91.040 -1.267 -9.339 1.00 0.00 N ATOM 967 CA GLU C 63 91.229 -2.473 -8.536 1.00 0.00 C ATOM 968 C GLU C 63 90.010 -3.377 -8.661 1.00 0.00 C ATOM 969 O GLU C 63 90.109 -4.526 -9.088 1.00 0.00 O ATOM 970 CB GLU C 63 91.434 -2.119 -7.059 1.00 0.00 C ATOM 971 CG GLU C 63 92.206 -0.804 -6.944 1.00 0.00 C ATOM 972 CD GLU C 63 93.329 -0.958 -5.924 1.00 0.00 C ATOM 973 OE1 GLU C 63 94.414 -1.351 -6.322 1.00 0.00 O ATOM 974 OE2 GLU C 63 93.088 -0.681 -4.761 1.00 0.00 O ATOM 0 H GLU C 63 91.059 -0.394 -8.811 1.00 0.00 H new ATOM 0 HA GLU C 63 92.116 -2.988 -8.906 1.00 0.00 H new ATOM 0 HB2 GLU C 63 90.469 -2.030 -6.560 1.00 0.00 H new ATOM 0 HB3 GLU C 63 91.980 -2.917 -6.557 1.00 0.00 H new ATOM 0 HG2 GLU C 63 92.618 -0.526 -7.914 1.00 0.00 H new ATOM 0 HG3 GLU C 63 91.534 -0.001 -6.641 1.00 0.00 H new ATOM 981 N VAL C 64 88.856 -2.837 -8.281 1.00 0.00 N ATOM 982 CA VAL C 64 87.608 -3.591 -8.349 1.00 0.00 C ATOM 983 C VAL C 64 87.070 -3.608 -9.776 1.00 0.00 C ATOM 984 O VAL C 64 86.358 -4.529 -10.176 1.00 0.00 O ATOM 985 CB VAL C 64 86.559 -2.958 -7.436 1.00 0.00 C ATOM 986 CG1 VAL C 64 87.053 -2.998 -5.991 1.00 0.00 C ATOM 987 CG2 VAL C 64 86.330 -1.503 -7.854 1.00 0.00 C ATOM 0 H VAL C 64 88.759 -1.886 -7.925 1.00 0.00 H new ATOM 0 HA VAL C 64 87.813 -4.612 -8.025 1.00 0.00 H new ATOM 0 HB VAL C 64 85.624 -3.512 -7.518 1.00 0.00 H new ATOM 0 HG11 VAL C 64 86.306 -2.547 -5.338 1.00 0.00 H new ATOM 0 HG12 VAL C 64 87.219 -4.033 -5.692 1.00 0.00 H new ATOM 0 HG13 VAL C 64 87.988 -2.443 -5.911 1.00 0.00 H new ATOM 0 HG21 VAL C 64 85.582 -1.051 -7.203 1.00 0.00 H new ATOM 0 HG22 VAL C 64 87.265 -0.949 -7.771 1.00 0.00 H new ATOM 0 HG23 VAL C 64 85.980 -1.472 -8.886 1.00 0.00 H new ATOM 997 N ASP C 65 87.412 -2.572 -10.536 1.00 0.00 N ATOM 998 CA ASP C 65 86.952 -2.467 -11.918 1.00 0.00 C ATOM 999 C ASP C 65 87.625 -3.517 -12.796 1.00 0.00 C ATOM 1000 O ASP C 65 88.306 -3.190 -13.768 1.00 0.00 O ATOM 1001 CB ASP C 65 87.261 -1.077 -12.479 1.00 0.00 C ATOM 1002 CG ASP C 65 85.957 -0.346 -12.784 1.00 0.00 C ATOM 1003 OD1 ASP C 65 84.921 -0.809 -12.334 1.00 0.00 O ATOM 1004 OD2 ASP C 65 86.013 0.667 -13.462 1.00 0.00 O ATOM 0 H ASP C 65 88.000 -1.800 -10.223 1.00 0.00 H new ATOM 0 HA ASP C 65 85.875 -2.633 -11.923 1.00 0.00 H new ATOM 0 HB2 ASP C 65 87.850 -0.507 -11.761 1.00 0.00 H new ATOM 0 HB3 ASP C 65 87.861 -1.165 -13.385 1.00 0.00 H new ATOM 1009 N GLU C 66 87.418 -4.785 -12.450 1.00 0.00 N ATOM 1010 CA GLU C 66 88.002 -5.878 -13.223 1.00 0.00 C ATOM 1011 C GLU C 66 87.105 -6.220 -14.407 1.00 0.00 C ATOM 1012 O GLU C 66 87.529 -6.871 -15.362 1.00 0.00 O ATOM 1013 CB GLU C 66 88.177 -7.124 -12.353 1.00 0.00 C ATOM 1014 CG GLU C 66 89.667 -7.444 -12.211 1.00 0.00 C ATOM 1015 CD GLU C 66 90.085 -8.418 -13.307 1.00 0.00 C ATOM 1016 OE1 GLU C 66 89.651 -9.557 -13.258 1.00 0.00 O ATOM 1017 OE2 GLU C 66 90.833 -8.010 -14.180 1.00 0.00 O ATOM 0 H GLU C 66 86.858 -5.079 -11.650 1.00 0.00 H new ATOM 0 HA GLU C 66 88.979 -5.553 -13.582 1.00 0.00 H new ATOM 0 HB2 GLU C 66 87.735 -6.959 -11.371 1.00 0.00 H new ATOM 0 HB3 GLU C 66 87.654 -7.969 -12.801 1.00 0.00 H new ATOM 0 HG2 GLU C 66 90.255 -6.529 -12.280 1.00 0.00 H new ATOM 0 HG3 GLU C 66 89.865 -7.877 -11.230 1.00 0.00 H new ATOM 1024 N ASP C 67 85.856 -5.769 -14.332 1.00 0.00 N ATOM 1025 CA ASP C 67 84.897 -6.025 -15.402 1.00 0.00 C ATOM 1026 C ASP C 67 84.774 -4.806 -16.312 1.00 0.00 C ATOM 1027 O ASP C 67 84.184 -4.876 -17.389 1.00 0.00 O ATOM 1028 CB ASP C 67 83.521 -6.352 -14.821 1.00 0.00 C ATOM 1029 CG ASP C 67 83.243 -5.443 -13.628 1.00 0.00 C ATOM 1030 OD1 ASP C 67 83.319 -4.237 -13.797 1.00 0.00 O ATOM 1031 OD2 ASP C 67 82.959 -5.966 -12.563 1.00 0.00 O ATOM 0 H ASP C 67 85.487 -5.229 -13.549 1.00 0.00 H new ATOM 0 HA ASP C 67 85.259 -6.875 -15.980 1.00 0.00 H new ATOM 0 HB2 ASP C 67 82.752 -6.217 -15.582 1.00 0.00 H new ATOM 0 HB3 ASP C 67 83.484 -7.397 -14.512 1.00 0.00 H new ATOM 1036 N GLY C 68 85.338 -3.685 -15.865 1.00 0.00 N ATOM 1037 CA GLY C 68 85.282 -2.454 -16.649 1.00 0.00 C ATOM 1038 C GLY C 68 83.910 -1.801 -16.529 1.00 0.00 C ATOM 1039 O GLY C 68 83.414 -1.186 -17.473 1.00 0.00 O ATOM 0 H GLY C 68 85.832 -3.604 -14.976 1.00 0.00 H new ATOM 0 HA2 GLY C 68 86.051 -1.762 -16.305 1.00 0.00 H new ATOM 0 HA3 GLY C 68 85.496 -2.673 -17.695 1.00 0.00 H new ATOM 1043 N SER C 69 83.302 -1.943 -15.354 1.00 0.00 N ATOM 1044 CA SER C 69 81.983 -1.364 -15.113 1.00 0.00 C ATOM 1045 C SER C 69 82.091 0.141 -14.891 1.00 0.00 C ATOM 1046 O SER C 69 81.137 0.885 -15.116 1.00 0.00 O ATOM 1047 CB SER C 69 81.335 -2.002 -13.884 1.00 0.00 C ATOM 1048 OG SER C 69 82.266 -2.002 -12.809 1.00 0.00 O ATOM 0 H SER C 69 83.697 -2.449 -14.561 1.00 0.00 H new ATOM 0 HA SER C 69 81.367 -1.558 -15.991 1.00 0.00 H new ATOM 0 HB2 SER C 69 80.438 -1.450 -13.604 1.00 0.00 H new ATOM 0 HB3 SER C 69 81.024 -3.022 -14.111 1.00 0.00 H new ATOM 0 HG SER C 69 82.806 -2.819 -12.844 1.00 0.00 H new ATOM 1054 N GLY C 70 83.264 0.580 -14.444 1.00 0.00 N ATOM 1055 CA GLY C 70 83.488 2.001 -14.192 1.00 0.00 C ATOM 1056 C GLY C 70 83.034 2.381 -12.786 1.00 0.00 C ATOM 1057 O GLY C 70 83.277 3.494 -12.319 1.00 0.00 O ATOM 0 H GLY C 70 84.066 -0.019 -14.250 1.00 0.00 H new ATOM 0 HA2 GLY C 70 84.546 2.234 -14.313 1.00 0.00 H new ATOM 0 HA3 GLY C 70 82.945 2.595 -14.927 1.00 0.00 H new ATOM 1061 N THR C 71 82.371 1.442 -12.115 1.00 0.00 N ATOM 1062 CA THR C 71 81.885 1.688 -10.760 1.00 0.00 C ATOM 1063 C THR C 71 82.036 0.433 -9.907 1.00 0.00 C ATOM 1064 O THR C 71 82.322 -0.650 -10.416 1.00 0.00 O ATOM 1065 CB THR C 71 80.412 2.100 -10.785 1.00 0.00 C ATOM 1066 OG1 THR C 71 79.621 0.994 -11.196 1.00 0.00 O ATOM 1067 CG2 THR C 71 80.222 3.258 -11.764 1.00 0.00 C ATOM 0 H THR C 71 82.160 0.514 -12.482 1.00 0.00 H new ATOM 0 HA THR C 71 82.478 2.495 -10.330 1.00 0.00 H new ATOM 0 HB THR C 71 80.105 2.417 -9.788 1.00 0.00 H new ATOM 0 HG1 THR C 71 78.822 1.318 -11.662 1.00 0.00 H new ATOM 0 HG21 THR C 71 79.172 3.551 -11.781 1.00 0.00 H new ATOM 0 HG22 THR C 71 80.830 4.105 -11.448 1.00 0.00 H new ATOM 0 HG23 THR C 71 80.528 2.944 -12.762 1.00 0.00 H new ATOM 1075 N VAL C 72 81.841 0.593 -8.601 1.00 0.00 N ATOM 1076 CA VAL C 72 81.958 -0.534 -7.680 1.00 0.00 C ATOM 1077 C VAL C 72 80.612 -0.842 -7.034 1.00 0.00 C ATOM 1078 O VAL C 72 80.085 -0.048 -6.255 1.00 0.00 O ATOM 1079 CB VAL C 72 82.975 -0.222 -6.581 1.00 0.00 C ATOM 1080 CG1 VAL C 72 83.564 -1.527 -6.044 1.00 0.00 C ATOM 1081 CG2 VAL C 72 84.098 0.644 -7.156 1.00 0.00 C ATOM 0 H VAL C 72 81.604 1.482 -8.160 1.00 0.00 H new ATOM 0 HA VAL C 72 82.292 -1.400 -8.252 1.00 0.00 H new ATOM 0 HB VAL C 72 82.480 0.314 -5.771 1.00 0.00 H new ATOM 0 HG11 VAL C 72 84.289 -1.304 -5.261 1.00 0.00 H new ATOM 0 HG12 VAL C 72 82.765 -2.145 -5.634 1.00 0.00 H new ATOM 0 HG13 VAL C 72 84.058 -2.063 -6.854 1.00 0.00 H new ATOM 0 HG21 VAL C 72 84.823 0.867 -6.373 1.00 0.00 H new ATOM 0 HG22 VAL C 72 84.592 0.108 -7.966 1.00 0.00 H new ATOM 0 HG23 VAL C 72 83.680 1.575 -7.539 1.00 0.00 H new ATOM 1091 N ASP C 73 80.063 -2.008 -7.364 1.00 0.00 N ATOM 1092 CA ASP C 73 78.779 -2.418 -6.804 1.00 0.00 C ATOM 1093 C ASP C 73 78.928 -2.709 -5.313 1.00 0.00 C ATOM 1094 O ASP C 73 79.836 -2.199 -4.657 1.00 0.00 O ATOM 1095 CB ASP C 73 78.249 -3.661 -7.531 1.00 0.00 C ATOM 1096 CG ASP C 73 79.187 -4.843 -7.300 1.00 0.00 C ATOM 1097 OD1 ASP C 73 79.862 -4.854 -6.286 1.00 0.00 O ATOM 1098 OD2 ASP C 73 79.215 -5.723 -8.145 1.00 0.00 O ATOM 0 H ASP C 73 80.481 -2.679 -8.009 1.00 0.00 H new ATOM 0 HA ASP C 73 78.065 -1.605 -6.939 1.00 0.00 H new ATOM 0 HB2 ASP C 73 77.249 -3.904 -7.171 1.00 0.00 H new ATOM 0 HB3 ASP C 73 78.163 -3.458 -8.599 1.00 0.00 H new ATOM 1103 N PHE C 74 78.024 -3.525 -4.781 1.00 0.00 N ATOM 1104 CA PHE C 74 78.063 -3.866 -3.363 1.00 0.00 C ATOM 1105 C PHE C 74 78.958 -5.079 -3.109 1.00 0.00 C ATOM 1106 O PHE C 74 79.375 -5.332 -1.978 1.00 0.00 O ATOM 1107 CB PHE C 74 76.651 -4.167 -2.860 1.00 0.00 C ATOM 1108 CG PHE C 74 76.707 -4.572 -1.407 1.00 0.00 C ATOM 1109 CD1 PHE C 74 77.039 -5.886 -1.058 1.00 0.00 C ATOM 1110 CD2 PHE C 74 76.428 -3.632 -0.407 1.00 0.00 C ATOM 1111 CE1 PHE C 74 77.093 -6.261 0.289 1.00 0.00 C ATOM 1112 CE2 PHE C 74 76.481 -4.006 0.940 1.00 0.00 C ATOM 1113 CZ PHE C 74 76.814 -5.321 1.289 1.00 0.00 C ATOM 0 H PHE C 74 77.263 -3.959 -5.304 1.00 0.00 H new ATOM 0 HA PHE C 74 78.475 -3.012 -2.825 1.00 0.00 H new ATOM 0 HB2 PHE C 74 76.017 -3.289 -2.979 1.00 0.00 H new ATOM 0 HB3 PHE C 74 76.205 -4.965 -3.454 1.00 0.00 H new ATOM 0 HD1 PHE C 74 77.254 -6.611 -1.829 1.00 0.00 H new ATOM 0 HD2 PHE C 74 76.172 -2.618 -0.676 1.00 0.00 H new ATOM 0 HE1 PHE C 74 77.350 -7.275 0.557 1.00 0.00 H new ATOM 0 HE2 PHE C 74 76.265 -3.281 1.711 1.00 0.00 H new ATOM 0 HZ PHE C 74 76.856 -5.610 2.329 1.00 0.00 H new ATOM 1123 N ASP C 75 79.244 -5.829 -4.168 1.00 0.00 N ATOM 1124 CA ASP C 75 80.084 -7.019 -4.045 1.00 0.00 C ATOM 1125 C ASP C 75 81.566 -6.650 -4.067 1.00 0.00 C ATOM 1126 O ASP C 75 82.219 -6.575 -3.027 1.00 0.00 O ATOM 1127 CB ASP C 75 79.804 -7.991 -5.192 1.00 0.00 C ATOM 1128 CG ASP C 75 78.525 -8.769 -4.903 1.00 0.00 C ATOM 1129 OD1 ASP C 75 78.502 -9.485 -3.916 1.00 0.00 O ATOM 1130 OD2 ASP C 75 77.589 -8.638 -5.674 1.00 0.00 O ATOM 0 H ASP C 75 78.911 -5.638 -5.113 1.00 0.00 H new ATOM 0 HA ASP C 75 79.845 -7.491 -3.092 1.00 0.00 H new ATOM 0 HB2 ASP C 75 79.705 -7.444 -6.130 1.00 0.00 H new ATOM 0 HB3 ASP C 75 80.641 -8.679 -5.311 1.00 0.00 H new ATOM 1135 N GLU C 76 82.089 -6.441 -5.271 1.00 0.00 N ATOM 1136 CA GLU C 76 83.502 -6.100 -5.437 1.00 0.00 C ATOM 1137 C GLU C 76 83.956 -5.083 -4.393 1.00 0.00 C ATOM 1138 O GLU C 76 85.074 -5.158 -3.887 1.00 0.00 O ATOM 1139 CB GLU C 76 83.758 -5.519 -6.831 1.00 0.00 C ATOM 1140 CG GLU C 76 82.614 -4.579 -7.218 1.00 0.00 C ATOM 1141 CD GLU C 76 82.887 -3.979 -8.593 1.00 0.00 C ATOM 1142 OE1 GLU C 76 84.019 -3.599 -8.839 1.00 0.00 O ATOM 1143 OE2 GLU C 76 81.958 -3.909 -9.381 1.00 0.00 O ATOM 0 H GLU C 76 81.562 -6.501 -6.142 1.00 0.00 H new ATOM 0 HA GLU C 76 84.070 -7.021 -5.309 1.00 0.00 H new ATOM 0 HB2 GLU C 76 84.705 -4.979 -6.842 1.00 0.00 H new ATOM 0 HB3 GLU C 76 83.842 -6.324 -7.561 1.00 0.00 H new ATOM 0 HG2 GLU C 76 81.670 -5.124 -7.229 1.00 0.00 H new ATOM 0 HG3 GLU C 76 82.515 -3.786 -6.477 1.00 0.00 H new ATOM 1150 N PHE C 77 83.086 -4.127 -4.082 1.00 0.00 N ATOM 1151 CA PHE C 77 83.427 -3.095 -3.103 1.00 0.00 C ATOM 1152 C PHE C 77 83.885 -3.718 -1.786 1.00 0.00 C ATOM 1153 O PHE C 77 84.991 -3.456 -1.313 1.00 0.00 O ATOM 1154 CB PHE C 77 82.221 -2.189 -2.834 1.00 0.00 C ATOM 1155 CG PHE C 77 82.543 -1.216 -1.719 1.00 0.00 C ATOM 1156 CD1 PHE C 77 83.875 -0.953 -1.372 1.00 0.00 C ATOM 1157 CD2 PHE C 77 81.505 -0.576 -1.032 1.00 0.00 C ATOM 1158 CE1 PHE C 77 84.166 -0.052 -0.340 1.00 0.00 C ATOM 1159 CE2 PHE C 77 81.796 0.325 0.000 1.00 0.00 C ATOM 1160 CZ PHE C 77 83.127 0.586 0.346 1.00 0.00 C ATOM 0 H PHE C 77 82.153 -4.043 -4.485 1.00 0.00 H new ATOM 0 HA PHE C 77 84.242 -2.504 -3.520 1.00 0.00 H new ATOM 0 HB2 PHE C 77 81.957 -1.643 -3.740 1.00 0.00 H new ATOM 0 HB3 PHE C 77 81.355 -2.793 -2.562 1.00 0.00 H new ATOM 0 HD1 PHE C 77 84.678 -1.445 -1.901 1.00 0.00 H new ATOM 0 HD2 PHE C 77 80.478 -0.777 -1.298 1.00 0.00 H new ATOM 0 HE1 PHE C 77 85.193 0.150 -0.074 1.00 0.00 H new ATOM 0 HE2 PHE C 77 80.994 0.818 0.529 1.00 0.00 H new ATOM 0 HZ PHE C 77 83.352 1.280 1.142 1.00 0.00 H new ATOM 1170 N LEU C 78 83.019 -4.533 -1.195 1.00 0.00 N ATOM 1171 CA LEU C 78 83.337 -5.178 0.078 1.00 0.00 C ATOM 1172 C LEU C 78 84.650 -5.954 -0.007 1.00 0.00 C ATOM 1173 O LEU C 78 85.685 -5.509 0.489 1.00 0.00 O ATOM 1174 CB LEU C 78 82.216 -6.137 0.483 1.00 0.00 C ATOM 1175 CG LEU C 78 81.329 -5.472 1.537 1.00 0.00 C ATOM 1176 CD1 LEU C 78 79.885 -5.946 1.368 1.00 0.00 C ATOM 1177 CD2 LEU C 78 81.828 -5.850 2.933 1.00 0.00 C ATOM 0 H LEU C 78 82.099 -4.763 -1.571 1.00 0.00 H new ATOM 0 HA LEU C 78 83.440 -4.393 0.827 1.00 0.00 H new ATOM 0 HB2 LEU C 78 81.621 -6.407 -0.390 1.00 0.00 H new ATOM 0 HB3 LEU C 78 82.639 -7.060 0.879 1.00 0.00 H new ATOM 0 HG LEU C 78 81.371 -4.390 1.414 1.00 0.00 H new ATOM 0 HD11 LEU C 78 79.256 -5.471 2.120 1.00 0.00 H new ATOM 0 HD12 LEU C 78 79.528 -5.678 0.374 1.00 0.00 H new ATOM 0 HD13 LEU C 78 79.841 -7.028 1.489 1.00 0.00 H new ATOM 0 HD21 LEU C 78 81.197 -5.377 3.685 1.00 0.00 H new ATOM 0 HD22 LEU C 78 81.787 -6.933 3.053 1.00 0.00 H new ATOM 0 HD23 LEU C 78 82.856 -5.510 3.056 1.00 0.00 H new ATOM 1189 N VAL C 79 84.590 -7.129 -0.627 1.00 0.00 N ATOM 1190 CA VAL C 79 85.771 -7.981 -0.759 1.00 0.00 C ATOM 1191 C VAL C 79 87.035 -7.152 -0.967 1.00 0.00 C ATOM 1192 O VAL C 79 88.106 -7.504 -0.472 1.00 0.00 O ATOM 1193 CB VAL C 79 85.608 -8.938 -1.940 1.00 0.00 C ATOM 1194 CG1 VAL C 79 86.698 -10.010 -1.883 1.00 0.00 C ATOM 1195 CG2 VAL C 79 84.234 -9.606 -1.865 1.00 0.00 C ATOM 0 H VAL C 79 83.742 -7.513 -1.044 1.00 0.00 H new ATOM 0 HA VAL C 79 85.868 -8.547 0.167 1.00 0.00 H new ATOM 0 HB VAL C 79 85.694 -8.382 -2.874 1.00 0.00 H new ATOM 0 HG11 VAL C 79 86.582 -10.692 -2.725 1.00 0.00 H new ATOM 0 HG12 VAL C 79 87.678 -9.535 -1.933 1.00 0.00 H new ATOM 0 HG13 VAL C 79 86.612 -10.567 -0.950 1.00 0.00 H new ATOM 0 HG21 VAL C 79 84.115 -10.289 -2.706 1.00 0.00 H new ATOM 0 HG22 VAL C 79 84.150 -10.162 -0.931 1.00 0.00 H new ATOM 0 HG23 VAL C 79 83.456 -8.843 -1.904 1.00 0.00 H new ATOM 1205 N MET C 80 86.910 -6.055 -1.705 1.00 0.00 N ATOM 1206 CA MET C 80 88.068 -5.203 -1.963 1.00 0.00 C ATOM 1207 C MET C 80 88.759 -4.830 -0.654 1.00 0.00 C ATOM 1208 O MET C 80 89.987 -4.803 -0.570 1.00 0.00 O ATOM 1209 CB MET C 80 87.653 -3.924 -2.693 1.00 0.00 C ATOM 1210 CG MET C 80 88.803 -3.456 -3.586 1.00 0.00 C ATOM 1211 SD MET C 80 88.664 -1.673 -3.860 1.00 0.00 S ATOM 1212 CE MET C 80 89.591 -1.152 -2.397 1.00 0.00 C ATOM 0 H MET C 80 86.038 -5.738 -2.128 1.00 0.00 H new ATOM 0 HA MET C 80 88.759 -5.764 -2.592 1.00 0.00 H new ATOM 0 HB2 MET C 80 86.762 -4.107 -3.294 1.00 0.00 H new ATOM 0 HB3 MET C 80 87.397 -3.147 -1.973 1.00 0.00 H new ATOM 0 HG2 MET C 80 89.759 -3.690 -3.118 1.00 0.00 H new ATOM 0 HG3 MET C 80 88.776 -3.985 -4.539 1.00 0.00 H new ATOM 0 HE1 MET C 80 89.513 -0.071 -2.283 1.00 0.00 H new ATOM 0 HE2 MET C 80 89.181 -1.640 -1.513 1.00 0.00 H new ATOM 0 HE3 MET C 80 90.639 -1.430 -2.512 1.00 0.00 H new ATOM 1222 N MET C 81 87.957 -4.546 0.367 1.00 0.00 N ATOM 1223 CA MET C 81 88.503 -4.181 1.671 1.00 0.00 C ATOM 1224 C MET C 81 89.508 -5.231 2.132 1.00 0.00 C ATOM 1225 O MET C 81 90.440 -4.942 2.882 1.00 0.00 O ATOM 1226 CB MET C 81 87.375 -4.056 2.704 1.00 0.00 C ATOM 1227 CG MET C 81 86.966 -5.440 3.226 1.00 0.00 C ATOM 1228 SD MET C 81 85.166 -5.599 3.180 1.00 0.00 S ATOM 1229 CE MET C 81 85.116 -7.247 2.433 1.00 0.00 C ATOM 0 H MET C 81 86.938 -4.561 0.319 1.00 0.00 H new ATOM 0 HA MET C 81 89.008 -3.219 1.579 1.00 0.00 H new ATOM 0 HB2 MET C 81 87.702 -3.430 3.534 1.00 0.00 H new ATOM 0 HB3 MET C 81 86.514 -3.562 2.253 1.00 0.00 H new ATOM 0 HG2 MET C 81 87.425 -6.219 2.618 1.00 0.00 H new ATOM 0 HG3 MET C 81 87.327 -5.576 4.245 1.00 0.00 H new ATOM 0 HE1 MET C 81 84.089 -7.492 2.160 1.00 0.00 H new ATOM 0 HE2 MET C 81 85.742 -7.261 1.541 1.00 0.00 H new ATOM 0 HE3 MET C 81 85.487 -7.982 3.148 1.00 0.00 H new ATOM 1239 N VAL C 82 89.290 -6.456 1.675 1.00 0.00 N ATOM 1240 CA VAL C 82 90.158 -7.570 2.040 1.00 0.00 C ATOM 1241 C VAL C 82 91.398 -7.604 1.152 1.00 0.00 C ATOM 1242 O VAL C 82 92.528 -7.587 1.642 1.00 0.00 O ATOM 1243 CB VAL C 82 89.406 -8.895 1.903 1.00 0.00 C ATOM 1244 CG1 VAL C 82 89.999 -9.922 2.869 1.00 0.00 C ATOM 1245 CG2 VAL C 82 87.928 -8.678 2.237 1.00 0.00 C ATOM 0 H VAL C 82 88.522 -6.705 1.052 1.00 0.00 H new ATOM 0 HA VAL C 82 90.466 -7.430 3.076 1.00 0.00 H new ATOM 0 HB VAL C 82 89.500 -9.261 0.881 1.00 0.00 H new ATOM 0 HG11 VAL C 82 89.463 -10.866 2.771 1.00 0.00 H new ATOM 0 HG12 VAL C 82 91.052 -10.077 2.634 1.00 0.00 H new ATOM 0 HG13 VAL C 82 89.905 -9.556 3.891 1.00 0.00 H new ATOM 0 HG21 VAL C 82 87.391 -9.621 2.140 1.00 0.00 H new ATOM 0 HG22 VAL C 82 87.836 -8.312 3.259 1.00 0.00 H new ATOM 0 HG23 VAL C 82 87.503 -7.946 1.550 1.00 0.00 H new ATOM 1255 N ARG C 83 91.176 -7.656 -0.160 1.00 0.00 N ATOM 1256 CA ARG C 83 92.286 -7.696 -1.110 1.00 0.00 C ATOM 1257 C ARG C 83 93.429 -6.809 -0.629 1.00 0.00 C ATOM 1258 O ARG C 83 94.603 -7.102 -0.858 1.00 0.00 O ATOM 1259 CB ARG C 83 91.832 -7.212 -2.490 1.00 0.00 C ATOM 1260 CG ARG C 83 90.583 -7.983 -2.921 1.00 0.00 C ATOM 1261 CD ARG C 83 90.730 -8.421 -4.380 1.00 0.00 C ATOM 1262 NE ARG C 83 90.831 -7.259 -5.260 1.00 0.00 N ATOM 1263 CZ ARG C 83 91.121 -7.399 -6.552 1.00 0.00 C ATOM 1264 NH1 ARG C 83 91.317 -8.588 -7.052 1.00 0.00 N ATOM 1265 NH2 ARG C 83 91.207 -6.347 -7.320 1.00 0.00 N ATOM 0 H ARG C 83 90.249 -7.671 -0.586 1.00 0.00 H new ATOM 0 HA ARG C 83 92.628 -8.729 -1.182 1.00 0.00 H new ATOM 0 HB2 ARG C 83 91.619 -6.143 -2.459 1.00 0.00 H new ATOM 0 HB3 ARG C 83 92.630 -7.357 -3.218 1.00 0.00 H new ATOM 0 HG2 ARG C 83 90.442 -8.854 -2.281 1.00 0.00 H new ATOM 0 HG3 ARG C 83 89.698 -7.357 -2.806 1.00 0.00 H new ATOM 0 HD2 ARG C 83 91.617 -9.045 -4.490 1.00 0.00 H new ATOM 0 HD3 ARG C 83 89.874 -9.030 -4.670 1.00 0.00 H new ATOM 0 HE ARG C 83 90.677 -6.326 -4.879 1.00 0.00 H new ATOM 0 HH11 ARG C 83 91.248 -9.411 -6.453 1.00 0.00 H new ATOM 0 HH12 ARG C 83 91.539 -8.695 -8.042 1.00 0.00 H new ATOM 0 HH21 ARG C 83 91.052 -5.417 -6.930 1.00 0.00 H new ATOM 0 HH22 ARG C 83 91.429 -6.455 -8.310 1.00 0.00 H new ATOM 1279 N CYS C 84 93.070 -5.715 0.038 1.00 0.00 N ATOM 1280 CA CYS C 84 94.069 -4.779 0.547 1.00 0.00 C ATOM 1281 C CYS C 84 94.550 -5.194 1.936 1.00 0.00 C ATOM 1282 O CYS C 84 95.749 -5.337 2.175 1.00 0.00 O ATOM 1283 CB CYS C 84 93.485 -3.368 0.626 1.00 0.00 C ATOM 1284 SG CYS C 84 92.474 -3.049 -0.841 1.00 0.00 S ATOM 0 H CYS C 84 92.104 -5.456 0.237 1.00 0.00 H new ATOM 0 HA CYS C 84 94.914 -4.790 -0.142 1.00 0.00 H new ATOM 0 HB2 CYS C 84 92.880 -3.263 1.527 1.00 0.00 H new ATOM 0 HB3 CYS C 84 94.288 -2.634 0.694 1.00 0.00 H new ATOM 0 HG CYS C 84 91.314 -3.619 -0.701 1.00 0.00 H new ATOM 1290 N MET C 85 93.601 -5.372 2.851 1.00 0.00 N ATOM 1291 CA MET C 85 93.936 -5.757 4.222 1.00 0.00 C ATOM 1292 C MET C 85 94.551 -7.154 4.266 1.00 0.00 C ATOM 1293 O MET C 85 95.147 -7.550 5.268 1.00 0.00 O ATOM 1294 CB MET C 85 92.686 -5.737 5.104 1.00 0.00 C ATOM 1295 CG MET C 85 92.151 -4.307 5.204 1.00 0.00 C ATOM 1296 SD MET C 85 90.806 -4.251 6.414 1.00 0.00 S ATOM 1297 CE MET C 85 89.552 -3.523 5.331 1.00 0.00 C ATOM 0 H MET C 85 92.603 -5.258 2.673 1.00 0.00 H new ATOM 0 HA MET C 85 94.662 -5.036 4.597 1.00 0.00 H new ATOM 0 HB2 MET C 85 91.923 -6.393 4.685 1.00 0.00 H new ATOM 0 HB3 MET C 85 92.923 -6.117 6.097 1.00 0.00 H new ATOM 0 HG2 MET C 85 92.950 -3.628 5.501 1.00 0.00 H new ATOM 0 HG3 MET C 85 91.793 -3.972 4.230 1.00 0.00 H new ATOM 0 HE1 MET C 85 88.937 -2.827 5.902 1.00 0.00 H new ATOM 0 HE2 MET C 85 90.041 -2.990 4.515 1.00 0.00 H new ATOM 0 HE3 MET C 85 88.922 -4.313 4.922 1.00 0.00 H new ATOM 1307 N LYS C 86 94.400 -7.898 3.174 1.00 0.00 N ATOM 1308 CA LYS C 86 94.947 -9.251 3.110 1.00 0.00 C ATOM 1309 C LYS C 86 95.955 -9.368 1.972 1.00 0.00 C ATOM 1310 O LYS C 86 96.304 -10.468 1.542 1.00 0.00 O ATOM 1311 CB LYS C 86 93.829 -10.274 2.894 1.00 0.00 C ATOM 1312 CG LYS C 86 93.207 -10.645 4.242 1.00 0.00 C ATOM 1313 CD LYS C 86 93.698 -12.030 4.669 1.00 0.00 C ATOM 1314 CE LYS C 86 93.463 -12.215 6.169 1.00 0.00 C ATOM 1315 NZ LYS C 86 92.406 -13.243 6.381 1.00 0.00 N ATOM 0 H LYS C 86 93.911 -7.593 2.332 1.00 0.00 H new ATOM 0 HA LYS C 86 95.445 -9.455 4.058 1.00 0.00 H new ATOM 0 HB2 LYS C 86 93.068 -9.862 2.232 1.00 0.00 H new ATOM 0 HB3 LYS C 86 94.226 -11.165 2.408 1.00 0.00 H new ATOM 0 HG2 LYS C 86 93.477 -9.904 4.995 1.00 0.00 H new ATOM 0 HG3 LYS C 86 92.120 -10.641 4.166 1.00 0.00 H new ATOM 0 HD2 LYS C 86 93.171 -12.803 4.110 1.00 0.00 H new ATOM 0 HD3 LYS C 86 94.758 -12.138 4.440 1.00 0.00 H new ATOM 0 HE2 LYS C 86 94.388 -12.522 6.658 1.00 0.00 H new ATOM 0 HE3 LYS C 86 93.162 -11.270 6.621 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 92.245 -13.370 7.401 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 91.523 -12.932 5.927 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 92.711 -14.145 5.964 1.00 0.00 H new ATOM 1392 N ILE I 148 94.052 0.791 5.453 1.00 0.00 N ATOM 1393 CA ILE I 148 92.611 1.021 5.377 1.00 0.00 C ATOM 1394 C ILE I 148 91.906 0.370 6.562 1.00 0.00 C ATOM 1395 O ILE I 148 91.214 -0.637 6.415 1.00 0.00 O ATOM 1396 CB ILE I 148 92.048 0.442 4.078 1.00 0.00 C ATOM 1397 CG1 ILE I 148 90.541 0.704 4.011 1.00 0.00 C ATOM 1398 CG2 ILE I 148 92.306 -1.065 4.034 1.00 0.00 C ATOM 1399 CD1 ILE I 148 90.269 1.861 3.048 1.00 0.00 C ATOM 0 HA ILE I 148 92.437 2.097 5.399 1.00 0.00 H new ATOM 0 HB ILE I 148 92.537 0.918 3.229 1.00 0.00 H new ATOM 0 HG12 ILE I 148 90.019 -0.193 3.676 1.00 0.00 H new ATOM 0 HG13 ILE I 148 90.158 0.944 5.003 1.00 0.00 H new ATOM 0 HG21 ILE I 148 91.904 -1.476 3.108 1.00 0.00 H new ATOM 0 HG22 ILE I 148 93.379 -1.252 4.079 1.00 0.00 H new ATOM 0 HG23 ILE I 148 91.819 -1.543 4.884 1.00 0.00 H new ATOM 0 HD11 ILE I 148 89.196 2.049 2.999 1.00 0.00 H new ATOM 0 HD12 ILE I 148 90.779 2.757 3.402 1.00 0.00 H new ATOM 0 HD13 ILE I 148 90.638 1.603 2.055 1.00 0.00 H new ATOM 1411 N SER I 149 92.091 0.957 7.742 1.00 0.00 N ATOM 1412 CA SER I 149 91.470 0.427 8.953 1.00 0.00 C ATOM 1413 C SER I 149 89.949 0.467 8.831 1.00 0.00 C ATOM 1414 O SER I 149 89.326 -0.486 8.361 1.00 0.00 O ATOM 1415 CB SER I 149 91.899 1.239 10.176 1.00 0.00 C ATOM 1416 OG SER I 149 93.172 0.785 10.618 1.00 0.00 O ATOM 0 H SER I 149 92.660 1.791 7.885 1.00 0.00 H new ATOM 0 HA SER I 149 91.796 -0.606 9.076 1.00 0.00 H new ATOM 0 HB2 SER I 149 91.945 2.299 9.925 1.00 0.00 H new ATOM 0 HB3 SER I 149 91.164 1.132 10.974 1.00 0.00 H new ATOM 0 HG SER I 149 93.451 1.304 11.401 1.00 0.00 H new ATOM 1422 N ALA I 150 89.356 1.580 9.258 1.00 0.00 N ATOM 1423 CA ALA I 150 87.905 1.731 9.188 1.00 0.00 C ATOM 1424 C ALA I 150 87.428 2.813 10.154 1.00 0.00 C ATOM 1425 O ALA I 150 86.369 3.411 9.964 1.00 0.00 O ATOM 1426 CB ALA I 150 87.213 0.412 9.537 1.00 0.00 C ATOM 0 H ALA I 150 89.850 2.381 9.651 1.00 0.00 H new ATOM 0 HA ALA I 150 87.648 2.019 8.169 1.00 0.00 H new ATOM 0 HB1 ALA I 150 86.132 0.542 9.480 1.00 0.00 H new ATOM 0 HB2 ALA I 150 87.523 -0.359 8.832 1.00 0.00 H new ATOM 0 HB3 ALA I 150 87.490 0.112 10.548 1.00 0.00 H new ATOM 1432 N ASP I 151 88.223 3.058 11.192 1.00 0.00 N ATOM 1433 CA ASP I 151 87.874 4.072 12.185 1.00 0.00 C ATOM 1434 C ASP I 151 87.407 5.352 11.500 1.00 0.00 C ATOM 1435 O ASP I 151 86.432 5.978 11.916 1.00 0.00 O ATOM 1436 CB ASP I 151 89.081 4.395 13.068 1.00 0.00 C ATOM 1437 CG ASP I 151 88.762 4.039 14.516 1.00 0.00 C ATOM 1438 OD1 ASP I 151 87.650 4.308 14.940 1.00 0.00 O ATOM 1439 OD2 ASP I 151 89.634 3.505 15.180 1.00 0.00 O ATOM 0 H ASP I 151 89.104 2.575 11.367 1.00 0.00 H new ATOM 0 HA ASP I 151 87.068 3.674 12.801 1.00 0.00 H new ATOM 0 HB2 ASP I 151 89.953 3.836 12.729 1.00 0.00 H new ATOM 0 HB3 ASP I 151 89.330 5.453 12.989 1.00 0.00 H new ATOM 1444 N ALA I 152 88.120 5.736 10.446 1.00 0.00 N ATOM 1445 CA ALA I 152 87.783 6.949 9.704 1.00 0.00 C ATOM 1446 C ALA I 152 86.422 6.814 9.026 1.00 0.00 C ATOM 1447 O ALA I 152 85.686 7.790 8.881 1.00 0.00 O ATOM 1448 CB ALA I 152 88.841 7.228 8.636 1.00 0.00 C ATOM 0 H ALA I 152 88.930 5.230 10.087 1.00 0.00 H new ATOM 0 HA ALA I 152 87.748 7.774 10.416 1.00 0.00 H new ATOM 0 HB1 ALA I 152 88.577 8.134 8.091 1.00 0.00 H new ATOM 0 HB2 ALA I 152 89.813 7.360 9.112 1.00 0.00 H new ATOM 0 HB3 ALA I 152 88.888 6.388 7.943 1.00 0.00 H new ATOM 1454 N MET I 153 86.099 5.595 8.603 1.00 0.00 N ATOM 1455 CA MET I 153 84.826 5.344 7.929 1.00 0.00 C ATOM 1456 C MET I 153 83.650 5.637 8.856 1.00 0.00 C ATOM 1457 O MET I 153 82.572 6.022 8.407 1.00 0.00 O ATOM 1458 CB MET I 153 84.741 3.887 7.468 1.00 0.00 C ATOM 1459 CG MET I 153 83.791 3.783 6.273 1.00 0.00 C ATOM 1460 SD MET I 153 83.449 2.041 5.922 1.00 0.00 S ATOM 1461 CE MET I 153 83.859 2.077 4.159 1.00 0.00 C ATOM 0 H MET I 153 86.693 4.773 8.713 1.00 0.00 H new ATOM 0 HA MET I 153 84.776 6.006 7.065 1.00 0.00 H new ATOM 0 HB2 MET I 153 85.731 3.524 7.192 1.00 0.00 H new ATOM 0 HB3 MET I 153 84.387 3.257 8.284 1.00 0.00 H new ATOM 0 HG2 MET I 153 82.862 4.311 6.487 1.00 0.00 H new ATOM 0 HG3 MET I 153 84.235 4.260 5.399 1.00 0.00 H new ATOM 0 HE1 MET I 153 84.316 1.130 3.872 1.00 0.00 H new ATOM 0 HE2 MET I 153 82.950 2.232 3.577 1.00 0.00 H new ATOM 0 HE3 MET I 153 84.558 2.891 3.965 1.00 0.00 H new ATOM 1471 N MET I 154 83.862 5.439 10.153 1.00 0.00 N ATOM 1472 CA MET I 154 82.802 5.673 11.132 1.00 0.00 C ATOM 1473 C MET I 154 82.437 7.154 11.206 1.00 0.00 C ATOM 1474 O MET I 154 81.312 7.510 11.557 1.00 0.00 O ATOM 1475 CB MET I 154 83.244 5.204 12.519 1.00 0.00 C ATOM 1476 CG MET I 154 82.094 4.452 13.192 1.00 0.00 C ATOM 1477 SD MET I 154 81.296 5.534 14.404 1.00 0.00 S ATOM 1478 CE MET I 154 79.742 4.616 14.537 1.00 0.00 C ATOM 0 H MET I 154 84.746 5.121 10.549 1.00 0.00 H new ATOM 0 HA MET I 154 81.928 5.106 10.810 1.00 0.00 H new ATOM 0 HB2 MET I 154 84.117 4.556 12.435 1.00 0.00 H new ATOM 0 HB3 MET I 154 83.539 6.059 13.127 1.00 0.00 H new ATOM 0 HG2 MET I 154 81.370 4.128 12.444 1.00 0.00 H new ATOM 0 HG3 MET I 154 82.470 3.554 13.682 1.00 0.00 H new ATOM 0 HE1 MET I 154 79.084 5.116 15.248 1.00 0.00 H new ATOM 0 HE2 MET I 154 79.259 4.576 13.561 1.00 0.00 H new ATOM 0 HE3 MET I 154 79.946 3.603 14.883 1.00 0.00 H new ATOM 1488 N GLN I 155 83.397 8.013 10.880 1.00 0.00 N ATOM 1489 CA GLN I 155 83.161 9.455 10.924 1.00 0.00 C ATOM 1490 C GLN I 155 82.152 9.875 9.857 1.00 0.00 C ATOM 1491 O GLN I 155 81.451 10.876 10.008 1.00 0.00 O ATOM 1492 CB GLN I 155 84.467 10.219 10.701 1.00 0.00 C ATOM 1493 CG GLN I 155 85.439 9.913 11.842 1.00 0.00 C ATOM 1494 CD GLN I 155 85.927 11.219 12.459 1.00 0.00 C ATOM 1495 OE1 GLN I 155 85.713 11.472 13.644 1.00 0.00 O ATOM 1496 NE2 GLN I 155 86.575 12.075 11.716 1.00 0.00 N ATOM 0 H GLN I 155 84.335 7.742 10.586 1.00 0.00 H new ATOM 0 HA GLN I 155 82.761 9.694 11.910 1.00 0.00 H new ATOM 0 HB2 GLN I 155 84.909 9.934 9.746 1.00 0.00 H new ATOM 0 HB3 GLN I 155 84.271 11.290 10.654 1.00 0.00 H new ATOM 0 HG2 GLN I 155 84.947 9.302 12.599 1.00 0.00 H new ATOM 0 HG3 GLN I 155 86.285 9.337 11.468 1.00 0.00 H new ATOM 0 HE21 GLN I 155 86.753 11.866 10.734 1.00 0.00 H new ATOM 0 HE22 GLN I 155 86.904 12.953 12.118 1.00 0.00 H new ATOM 1505 N ALA I 156 82.089 9.102 8.777 1.00 0.00 N ATOM 1506 CA ALA I 156 81.164 9.406 7.685 1.00 0.00 C ATOM 1507 C ALA I 156 79.751 8.946 8.029 1.00 0.00 C ATOM 1508 O ALA I 156 78.787 9.295 7.348 1.00 0.00 O ATOM 1509 CB ALA I 156 81.611 8.712 6.397 1.00 0.00 C ATOM 0 H ALA I 156 82.660 8.269 8.633 1.00 0.00 H new ATOM 0 HA ALA I 156 81.166 10.486 7.539 1.00 0.00 H new ATOM 0 HB1 ALA I 156 80.912 8.949 5.595 1.00 0.00 H new ATOM 0 HB2 ALA I 156 82.608 9.059 6.124 1.00 0.00 H new ATOM 0 HB3 ALA I 156 81.632 7.633 6.553 1.00 0.00 H new ATOM 1515 N LEU I 157 79.637 8.156 9.093 1.00 0.00 N ATOM 1516 CA LEU I 157 78.332 7.654 9.515 1.00 0.00 C ATOM 1517 C LEU I 157 78.363 7.233 10.980 1.00 0.00 C ATOM 1518 O LEU I 157 78.216 6.055 11.307 1.00 0.00 O ATOM 1519 CB LEU I 157 77.887 6.460 8.655 1.00 0.00 C ATOM 1520 CG LEU I 157 79.083 5.569 8.283 1.00 0.00 C ATOM 1521 CD1 LEU I 157 79.967 6.280 7.256 1.00 0.00 C ATOM 1522 CD2 LEU I 157 79.904 5.244 9.534 1.00 0.00 C ATOM 0 H LEU I 157 80.420 7.853 9.672 1.00 0.00 H new ATOM 0 HA LEU I 157 77.617 8.466 9.386 1.00 0.00 H new ATOM 0 HB2 LEU I 157 77.147 5.872 9.198 1.00 0.00 H new ATOM 0 HB3 LEU I 157 77.403 6.822 7.748 1.00 0.00 H new ATOM 0 HG LEU I 157 78.709 4.641 7.850 1.00 0.00 H new ATOM 0 HD11 LEU I 157 80.812 5.641 6.999 1.00 0.00 H new ATOM 0 HD12 LEU I 157 79.385 6.491 6.359 1.00 0.00 H new ATOM 0 HD13 LEU I 157 80.335 7.215 7.678 1.00 0.00 H new ATOM 0 HD21 LEU I 157 80.749 4.612 9.261 1.00 0.00 H new ATOM 0 HD22 LEU I 157 80.271 6.169 9.979 1.00 0.00 H new ATOM 0 HD23 LEU I 157 79.277 4.719 10.255 1.00 0.00 H new