USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 695 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: C 81 MET CE :methyl -145:sc= -0.174 (180deg=-0.443) USER MOD Set 1.3: C 84 CYS SG : rot -22:sc= -0.854 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 X(o=0,f=-0.00037) USER MOD Single : C 13 THR OG1 : rot 180:sc= 0.0864 USER MOD Single : C 16 GLN : amide:sc= -8.96! C(o=-9!,f=-8.7!) USER MOD Single : C 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 ASN : amide:sc= -0.795! X(o=-0.79!,f=-0.77) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 CYS SG : rot 14:sc= -0.0435 USER MOD Single : C 37 SER OG : rot 180:sc= 0 USER MOD Single : C 38 THR OG1 : rot 180:sc= -0.11 USER MOD Single : C 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.112) USER MOD Single : C 45 MET CE :methyl -144:sc= -0.411 (180deg=-1.26) USER MOD Single : C 47 MET CE :methyl -146:sc= -5.43! (180deg=-11.3!) USER MOD Single : C 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 51 ASN : amide:sc= -1.47 K(o=-1.5,f=-0.35) USER MOD Single : C 53 THR OG1 : rot 180:sc= -0.669 USER MOD Single : C 58 GLN : amide:sc= -3.49! C(o=-3.5!,f=-4.5!) USER MOD Single : C 60 MET CE :methyl 162:sc= -0.749 (180deg=-1.47) USER MOD Single : C 69 SER OG : rot 110:sc= -0.432 USER MOD Single : C 71 THR OG1 : rot 180:sc= 0 USER MOD Single : C 85 MET CE :methyl 164:sc= -2.45 (180deg=-3.13!) 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 164:sc= -0.0152 (180deg=-0.449) USER MOD Single : I 154 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : I 155 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD ----------------------------------------------------------------- ATOM 63 N TYR C 5 87.430 -16.678 -0.141 1.00 0.00 N ATOM 64 CA TYR C 5 87.230 -15.378 0.495 1.00 0.00 C ATOM 65 C TYR C 5 86.029 -15.424 1.433 1.00 0.00 C ATOM 66 O TYR C 5 86.017 -14.780 2.483 1.00 0.00 O ATOM 67 CB TYR C 5 87.005 -14.292 -0.559 1.00 0.00 C ATOM 68 CG TYR C 5 88.302 -14.031 -1.286 1.00 0.00 C ATOM 69 CD1 TYR C 5 89.203 -13.080 -0.793 1.00 0.00 C ATOM 70 CD2 TYR C 5 88.606 -14.744 -2.451 1.00 0.00 C ATOM 71 CE1 TYR C 5 90.408 -12.842 -1.465 1.00 0.00 C ATOM 72 CE2 TYR C 5 89.811 -14.509 -3.123 1.00 0.00 C ATOM 73 CZ TYR C 5 90.712 -13.557 -2.630 1.00 0.00 C ATOM 74 OH TYR C 5 91.901 -13.324 -3.292 1.00 0.00 O ATOM 0 HA TYR C 5 88.127 -15.142 1.067 1.00 0.00 H new ATOM 0 HB2 TYR C 5 86.236 -14.606 -1.264 1.00 0.00 H new ATOM 0 HB3 TYR C 5 86.649 -13.377 -0.086 1.00 0.00 H new ATOM 0 HD1 TYR C 5 88.969 -12.530 0.106 1.00 0.00 H new ATOM 0 HD2 TYR C 5 87.910 -15.477 -2.832 1.00 0.00 H new ATOM 0 HE1 TYR C 5 91.103 -12.107 -1.085 1.00 0.00 H new ATOM 0 HE2 TYR C 5 90.046 -15.061 -4.021 1.00 0.00 H new ATOM 0 HH TYR C 5 91.956 -13.904 -4.080 1.00 0.00 H new ATOM 84 N LYS C 6 85.019 -16.196 1.045 1.00 0.00 N ATOM 85 CA LYS C 6 83.817 -16.325 1.861 1.00 0.00 C ATOM 86 C LYS C 6 84.195 -16.525 3.325 1.00 0.00 C ATOM 87 O LYS C 6 83.552 -15.990 4.228 1.00 0.00 O ATOM 88 CB LYS C 6 82.977 -17.515 1.393 1.00 0.00 C ATOM 89 CG LYS C 6 82.529 -17.287 -0.052 1.00 0.00 C ATOM 90 CD LYS C 6 81.513 -16.144 -0.099 1.00 0.00 C ATOM 91 CE LYS C 6 81.151 -15.841 -1.554 1.00 0.00 C ATOM 92 NZ LYS C 6 79.669 -15.744 -1.688 1.00 0.00 N ATOM 0 H LYS C 6 85.008 -16.736 0.180 1.00 0.00 H new ATOM 0 HA LYS C 6 83.234 -15.410 1.756 1.00 0.00 H new ATOM 0 HB2 LYS C 6 83.558 -18.434 1.464 1.00 0.00 H new ATOM 0 HB3 LYS C 6 82.108 -17.637 2.039 1.00 0.00 H new ATOM 0 HG2 LYS C 6 83.390 -17.048 -0.677 1.00 0.00 H new ATOM 0 HG3 LYS C 6 82.086 -18.198 -0.454 1.00 0.00 H new ATOM 0 HD2 LYS C 6 80.618 -16.416 0.460 1.00 0.00 H new ATOM 0 HD3 LYS C 6 81.928 -15.255 0.376 1.00 0.00 H new ATOM 0 HE2 LYS C 6 81.617 -14.907 -1.869 1.00 0.00 H new ATOM 0 HE3 LYS C 6 81.535 -16.625 -2.206 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 79.423 -15.538 -2.677 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 79.235 -16.645 -1.404 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 79.314 -14.981 -1.077 1.00 0.00 H new ATOM 106 N ALA C 7 85.253 -17.301 3.546 1.00 0.00 N ATOM 107 CA ALA C 7 85.720 -17.568 4.903 1.00 0.00 C ATOM 108 C ALA C 7 86.267 -16.291 5.535 1.00 0.00 C ATOM 109 O ALA C 7 85.787 -15.842 6.576 1.00 0.00 O ATOM 110 CB ALA C 7 86.822 -18.630 4.891 1.00 0.00 C ATOM 0 H ALA C 7 85.798 -17.752 2.811 1.00 0.00 H new ATOM 0 HA ALA C 7 84.874 -17.931 5.487 1.00 0.00 H new ATOM 0 HB1 ALA C 7 87.158 -18.817 5.911 1.00 0.00 H new ATOM 0 HB2 ALA C 7 86.433 -19.554 4.463 1.00 0.00 H new ATOM 0 HB3 ALA C 7 87.661 -18.277 4.291 1.00 0.00 H new ATOM 116 N ALA C 8 87.275 -15.711 4.890 1.00 0.00 N ATOM 117 CA ALA C 8 87.882 -14.482 5.395 1.00 0.00 C ATOM 118 C ALA C 8 86.814 -13.415 5.609 1.00 0.00 C ATOM 119 O ALA C 8 86.918 -12.581 6.509 1.00 0.00 O ATOM 120 CB ALA C 8 88.926 -13.954 4.410 1.00 0.00 C ATOM 0 H ALA C 8 87.686 -16.066 4.027 1.00 0.00 H new ATOM 0 HA ALA C 8 88.366 -14.710 6.345 1.00 0.00 H new ATOM 0 HB1 ALA C 8 89.367 -13.038 4.803 1.00 0.00 H new ATOM 0 HB2 ALA C 8 89.706 -14.702 4.271 1.00 0.00 H new ATOM 0 HB3 ALA C 8 88.450 -13.745 3.452 1.00 0.00 H new ATOM 126 N VAL C 9 85.781 -13.454 4.771 1.00 0.00 N ATOM 127 CA VAL C 9 84.691 -12.489 4.876 1.00 0.00 C ATOM 128 C VAL C 9 83.758 -12.874 6.017 1.00 0.00 C ATOM 129 O VAL C 9 83.077 -12.029 6.597 1.00 0.00 O ATOM 130 CB VAL C 9 83.889 -12.439 3.576 1.00 0.00 C ATOM 131 CG1 VAL C 9 82.661 -11.548 3.769 1.00 0.00 C ATOM 132 CG2 VAL C 9 84.765 -11.867 2.460 1.00 0.00 C ATOM 0 H VAL C 9 85.676 -14.136 4.020 1.00 0.00 H new ATOM 0 HA VAL C 9 85.126 -11.508 5.069 1.00 0.00 H new ATOM 0 HB VAL C 9 83.568 -13.445 3.307 1.00 0.00 H new ATOM 0 HG11 VAL C 9 82.088 -11.512 2.842 1.00 0.00 H new ATOM 0 HG12 VAL C 9 82.038 -11.955 4.565 1.00 0.00 H new ATOM 0 HG13 VAL C 9 82.981 -10.541 4.038 1.00 0.00 H new ATOM 0 HG21 VAL C 9 84.194 -11.831 1.532 1.00 0.00 H new ATOM 0 HG22 VAL C 9 85.085 -10.860 2.729 1.00 0.00 H new ATOM 0 HG23 VAL C 9 85.640 -12.502 2.323 1.00 0.00 H new ATOM 142 N GLU C 10 83.743 -14.164 6.336 1.00 0.00 N ATOM 143 CA GLU C 10 82.899 -14.659 7.417 1.00 0.00 C ATOM 144 C GLU C 10 83.608 -14.461 8.749 1.00 0.00 C ATOM 145 O GLU C 10 82.979 -14.402 9.806 1.00 0.00 O ATOM 146 CB GLU C 10 82.593 -16.146 7.221 1.00 0.00 C ATOM 147 CG GLU C 10 81.527 -16.306 6.135 1.00 0.00 C ATOM 148 CD GLU C 10 80.177 -16.594 6.783 1.00 0.00 C ATOM 149 OE1 GLU C 10 80.133 -17.436 7.665 1.00 0.00 O ATOM 150 OE2 GLU C 10 79.206 -15.970 6.387 1.00 0.00 O ATOM 0 H GLU C 10 84.299 -14.879 5.867 1.00 0.00 H new ATOM 0 HA GLU C 10 81.962 -14.102 7.411 1.00 0.00 H new ATOM 0 HB2 GLU C 10 83.500 -16.681 6.938 1.00 0.00 H new ATOM 0 HB3 GLU C 10 82.244 -16.583 8.156 1.00 0.00 H new ATOM 0 HG2 GLU C 10 81.467 -15.399 5.533 1.00 0.00 H new ATOM 0 HG3 GLU C 10 81.799 -17.118 5.461 1.00 0.00 H new ATOM 157 N GLN C 11 84.931 -14.344 8.679 1.00 0.00 N ATOM 158 CA GLN C 11 85.735 -14.136 9.877 1.00 0.00 C ATOM 159 C GLN C 11 85.272 -12.880 10.599 1.00 0.00 C ATOM 160 O GLN C 11 84.945 -12.909 11.786 1.00 0.00 O ATOM 161 CB GLN C 11 87.208 -13.962 9.509 1.00 0.00 C ATOM 162 CG GLN C 11 87.786 -15.298 9.040 1.00 0.00 C ATOM 163 CD GLN C 11 89.268 -15.360 9.396 1.00 0.00 C ATOM 164 OE1 GLN C 11 90.104 -14.781 8.703 1.00 0.00 O ATOM 165 NE2 GLN C 11 89.646 -16.035 10.447 1.00 0.00 N ATOM 0 H GLN C 11 85.465 -14.389 7.811 1.00 0.00 H new ATOM 0 HA GLN C 11 85.617 -15.008 10.520 1.00 0.00 H new ATOM 0 HB2 GLN C 11 87.310 -13.215 8.722 1.00 0.00 H new ATOM 0 HB3 GLN C 11 87.767 -13.596 10.370 1.00 0.00 H new ATOM 0 HG2 GLN C 11 87.252 -16.123 9.511 1.00 0.00 H new ATOM 0 HG3 GLN C 11 87.654 -15.406 7.963 1.00 0.00 H new ATOM 0 HE21 GLN C 11 88.953 -16.515 11.021 1.00 0.00 H new ATOM 0 HE22 GLN C 11 90.634 -16.083 10.694 1.00 0.00 H new ATOM 174 N LEU C 12 85.253 -11.775 9.862 1.00 0.00 N ATOM 175 CA LEU C 12 84.834 -10.500 10.428 1.00 0.00 C ATOM 176 C LEU C 12 83.554 -10.673 11.238 1.00 0.00 C ATOM 177 O LEU C 12 82.712 -11.514 10.922 1.00 0.00 O ATOM 178 CB LEU C 12 84.592 -9.476 9.318 1.00 0.00 C ATOM 179 CG LEU C 12 85.832 -9.391 8.427 1.00 0.00 C ATOM 180 CD1 LEU C 12 85.700 -8.200 7.476 1.00 0.00 C ATOM 181 CD2 LEU C 12 87.073 -9.207 9.302 1.00 0.00 C ATOM 0 H LEU C 12 85.521 -11.737 8.879 1.00 0.00 H new ATOM 0 HA LEU C 12 85.630 -10.142 11.081 1.00 0.00 H new ATOM 0 HB2 LEU C 12 83.724 -9.764 8.725 1.00 0.00 H new ATOM 0 HB3 LEU C 12 84.373 -8.499 9.750 1.00 0.00 H new ATOM 0 HG LEU C 12 85.925 -10.309 7.847 1.00 0.00 H new ATOM 0 HD11 LEU C 12 86.585 -8.141 6.842 1.00 0.00 H new ATOM 0 HD12 LEU C 12 84.815 -8.328 6.853 1.00 0.00 H new ATOM 0 HD13 LEU C 12 85.606 -7.281 8.055 1.00 0.00 H new ATOM 0 HD21 LEU C 12 87.959 -9.146 8.669 1.00 0.00 H new ATOM 0 HD22 LEU C 12 86.977 -8.289 9.881 1.00 0.00 H new ATOM 0 HD23 LEU C 12 87.169 -10.055 9.980 1.00 0.00 H new ATOM 193 N THR C 13 83.417 -9.869 12.287 1.00 0.00 N ATOM 194 CA THR C 13 82.234 -9.941 13.139 1.00 0.00 C ATOM 195 C THR C 13 81.174 -8.951 12.666 1.00 0.00 C ATOM 196 O THR C 13 81.476 -7.982 11.970 1.00 0.00 O ATOM 197 CB THR C 13 82.598 -9.625 14.592 1.00 0.00 C ATOM 198 OG1 THR C 13 83.708 -8.738 14.616 1.00 0.00 O ATOM 199 CG2 THR C 13 82.957 -10.919 15.325 1.00 0.00 C ATOM 0 H THR C 13 84.102 -9.167 12.566 1.00 0.00 H new ATOM 0 HA THR C 13 81.838 -10.955 13.077 1.00 0.00 H new ATOM 0 HB THR C 13 81.747 -9.157 15.087 1.00 0.00 H new ATOM 0 HG1 THR C 13 83.942 -8.532 15.545 1.00 0.00 H new ATOM 0 HG21 THR C 13 83.216 -10.692 16.359 1.00 0.00 H new ATOM 0 HG22 THR C 13 82.104 -11.597 15.305 1.00 0.00 H new ATOM 0 HG23 THR C 13 83.808 -11.392 14.834 1.00 0.00 H new ATOM 207 N GLU C 14 79.929 -9.209 13.053 1.00 0.00 N ATOM 208 CA GLU C 14 78.822 -8.338 12.666 1.00 0.00 C ATOM 209 C GLU C 14 79.168 -6.878 12.944 1.00 0.00 C ATOM 210 O GLU C 14 78.634 -5.967 12.311 1.00 0.00 O ATOM 211 CB GLU C 14 77.557 -8.705 13.442 1.00 0.00 C ATOM 212 CG GLU C 14 77.814 -8.541 14.941 1.00 0.00 C ATOM 213 CD GLU C 14 76.728 -9.268 15.727 1.00 0.00 C ATOM 214 OE1 GLU C 14 75.697 -9.558 15.144 1.00 0.00 O ATOM 215 OE2 GLU C 14 76.944 -9.523 16.900 1.00 0.00 O ATOM 0 H GLU C 14 79.661 -10.007 13.629 1.00 0.00 H new ATOM 0 HA GLU C 14 78.646 -8.473 11.599 1.00 0.00 H new ATOM 0 HB2 GLU C 14 76.729 -8.067 13.132 1.00 0.00 H new ATOM 0 HB3 GLU C 14 77.267 -9.733 13.222 1.00 0.00 H new ATOM 0 HG2 GLU C 14 78.794 -8.942 15.199 1.00 0.00 H new ATOM 0 HG3 GLU C 14 77.823 -7.484 15.206 1.00 0.00 H new ATOM 222 N GLU C 15 80.067 -6.667 13.900 1.00 0.00 N ATOM 223 CA GLU C 15 80.478 -5.313 14.259 1.00 0.00 C ATOM 224 C GLU C 15 81.083 -4.604 13.053 1.00 0.00 C ATOM 225 O GLU C 15 80.528 -3.630 12.545 1.00 0.00 O ATOM 226 CB GLU C 15 81.512 -5.348 15.385 1.00 0.00 C ATOM 227 CG GLU C 15 80.969 -6.182 16.547 1.00 0.00 C ATOM 228 CD GLU C 15 81.399 -5.554 17.867 1.00 0.00 C ATOM 229 OE1 GLU C 15 82.395 -4.848 17.869 1.00 0.00 O ATOM 230 OE2 GLU C 15 80.727 -5.786 18.858 1.00 0.00 O ATOM 0 H GLU C 15 80.521 -7.407 14.435 1.00 0.00 H new ATOM 0 HA GLU C 15 79.594 -4.771 14.595 1.00 0.00 H new ATOM 0 HB2 GLU C 15 82.447 -5.775 15.022 1.00 0.00 H new ATOM 0 HB3 GLU C 15 81.734 -4.335 15.722 1.00 0.00 H new ATOM 0 HG2 GLU C 15 79.882 -6.234 16.494 1.00 0.00 H new ATOM 0 HG3 GLU C 15 81.341 -7.204 16.480 1.00 0.00 H new ATOM 237 N GLN C 16 82.231 -5.102 12.604 1.00 0.00 N ATOM 238 CA GLN C 16 82.911 -4.509 11.457 1.00 0.00 C ATOM 239 C GLN C 16 81.968 -4.476 10.252 1.00 0.00 C ATOM 240 O GLN C 16 81.887 -3.478 9.537 1.00 0.00 O ATOM 241 CB GLN C 16 84.210 -5.294 11.149 1.00 0.00 C ATOM 242 CG GLN C 16 84.212 -5.892 9.733 1.00 0.00 C ATOM 243 CD GLN C 16 84.615 -4.819 8.728 1.00 0.00 C ATOM 244 OE1 GLN C 16 84.040 -3.731 8.707 1.00 0.00 O ATOM 245 NE2 GLN C 16 85.583 -5.060 7.888 1.00 0.00 N ATOM 0 H GLN C 16 82.706 -5.907 13.012 1.00 0.00 H new ATOM 0 HA GLN C 16 83.191 -3.481 11.688 1.00 0.00 H new ATOM 0 HB2 GLN C 16 85.067 -4.630 11.261 1.00 0.00 H new ATOM 0 HB3 GLN C 16 84.329 -6.095 11.879 1.00 0.00 H new ATOM 0 HG2 GLN C 16 84.905 -6.731 9.682 1.00 0.00 H new ATOM 0 HG3 GLN C 16 83.223 -6.280 9.489 1.00 0.00 H new ATOM 0 HE21 GLN C 16 86.060 -5.961 7.905 1.00 0.00 H new ATOM 0 HE22 GLN C 16 85.863 -4.347 7.214 1.00 0.00 H new ATOM 254 N LYS C 17 81.250 -5.575 10.043 1.00 0.00 N ATOM 255 CA LYS C 17 80.312 -5.654 8.927 1.00 0.00 C ATOM 256 C LYS C 17 79.334 -4.486 8.982 1.00 0.00 C ATOM 257 O LYS C 17 79.234 -3.695 8.044 1.00 0.00 O ATOM 258 CB LYS C 17 79.526 -6.964 8.976 1.00 0.00 C ATOM 259 CG LYS C 17 79.592 -7.647 7.610 1.00 0.00 C ATOM 260 CD LYS C 17 80.068 -9.090 7.785 1.00 0.00 C ATOM 261 CE LYS C 17 78.872 -10.037 7.682 1.00 0.00 C ATOM 262 NZ LYS C 17 78.850 -10.940 8.867 1.00 0.00 N ATOM 0 H LYS C 17 81.297 -6.413 10.623 1.00 0.00 H new ATOM 0 HA LYS C 17 80.884 -5.613 8.000 1.00 0.00 H new ATOM 0 HB2 LYS C 17 79.938 -7.620 9.743 1.00 0.00 H new ATOM 0 HB3 LYS C 17 78.489 -6.769 9.247 1.00 0.00 H new ATOM 0 HG2 LYS C 17 78.611 -7.631 7.136 1.00 0.00 H new ATOM 0 HG3 LYS C 17 80.272 -7.105 6.953 1.00 0.00 H new ATOM 0 HD2 LYS C 17 80.807 -9.336 7.022 1.00 0.00 H new ATOM 0 HD3 LYS C 17 80.557 -9.208 8.752 1.00 0.00 H new ATOM 0 HE2 LYS C 17 77.945 -9.465 7.630 1.00 0.00 H new ATOM 0 HE3 LYS C 17 78.937 -10.624 6.766 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 78.037 -11.584 8.797 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 79.729 -11.494 8.897 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 78.769 -10.372 9.735 1.00 0.00 H new ATOM 276 N ASN C 18 78.615 -4.389 10.096 1.00 0.00 N ATOM 277 CA ASN C 18 77.645 -3.315 10.274 1.00 0.00 C ATOM 278 C ASN C 18 78.254 -1.976 9.866 1.00 0.00 C ATOM 279 O ASN C 18 77.858 -1.377 8.866 1.00 0.00 O ATOM 280 CB ASN C 18 77.199 -3.236 11.735 1.00 0.00 C ATOM 281 CG ASN C 18 76.095 -4.259 11.987 1.00 0.00 C ATOM 282 OD1 ASN C 18 75.040 -4.211 11.355 1.00 0.00 O ATOM 283 ND2 ASN C 18 76.278 -5.193 12.882 1.00 0.00 N ATOM 0 H ASN C 18 78.685 -5.035 10.882 1.00 0.00 H new ATOM 0 HA ASN C 18 76.783 -3.530 9.643 1.00 0.00 H new ATOM 0 HB2 ASN C 18 78.045 -3.428 12.395 1.00 0.00 H new ATOM 0 HB3 ASN C 18 76.838 -2.233 11.962 1.00 0.00 H new ATOM 0 HD21 ASN C 18 75.547 -5.882 13.057 1.00 0.00 H new ATOM 0 HD22 ASN C 18 77.152 -5.233 13.406 1.00 0.00 H new ATOM 290 N GLU C 19 79.219 -1.511 10.655 1.00 0.00 N ATOM 291 CA GLU C 19 79.876 -0.237 10.368 1.00 0.00 C ATOM 292 C GLU C 19 80.298 -0.167 8.904 1.00 0.00 C ATOM 293 O GLU C 19 80.329 0.908 8.305 1.00 0.00 O ATOM 294 CB GLU C 19 81.111 -0.046 11.253 1.00 0.00 C ATOM 295 CG GLU C 19 81.966 -1.312 11.240 1.00 0.00 C ATOM 296 CD GLU C 19 82.883 -1.310 12.458 1.00 0.00 C ATOM 297 OE1 GLU C 19 83.877 -0.604 12.425 1.00 0.00 O ATOM 298 OE2 GLU C 19 82.576 -2.013 13.407 1.00 0.00 O ATOM 0 H GLU C 19 79.561 -1.990 11.488 1.00 0.00 H new ATOM 0 HA GLU C 19 79.159 0.556 10.578 1.00 0.00 H new ATOM 0 HB2 GLU C 19 81.696 0.801 10.896 1.00 0.00 H new ATOM 0 HB3 GLU C 19 80.805 0.185 12.273 1.00 0.00 H new ATOM 0 HG2 GLU C 19 81.328 -2.196 11.251 1.00 0.00 H new ATOM 0 HG3 GLU C 19 82.557 -1.357 10.325 1.00 0.00 H new ATOM 305 N PHE C 20 80.620 -1.325 8.332 1.00 0.00 N ATOM 306 CA PHE C 20 81.035 -1.380 6.932 1.00 0.00 C ATOM 307 C PHE C 20 79.890 -0.937 6.028 1.00 0.00 C ATOM 308 O PHE C 20 80.100 -0.291 5.002 1.00 0.00 O ATOM 309 CB PHE C 20 81.449 -2.804 6.548 1.00 0.00 C ATOM 310 CG PHE C 20 82.761 -2.768 5.797 1.00 0.00 C ATOM 311 CD1 PHE C 20 83.104 -1.642 5.039 1.00 0.00 C ATOM 312 CD2 PHE C 20 83.634 -3.862 5.859 1.00 0.00 C ATOM 313 CE1 PHE C 20 84.319 -1.609 4.344 1.00 0.00 C ATOM 314 CE2 PHE C 20 84.849 -3.828 5.163 1.00 0.00 C ATOM 315 CZ PHE C 20 85.192 -2.702 4.405 1.00 0.00 C ATOM 0 H PHE C 20 80.602 -2.227 8.808 1.00 0.00 H new ATOM 0 HA PHE C 20 81.886 -0.711 6.805 1.00 0.00 H new ATOM 0 HB2 PHE C 20 81.548 -3.418 7.443 1.00 0.00 H new ATOM 0 HB3 PHE C 20 80.678 -3.263 5.930 1.00 0.00 H new ATOM 0 HD1 PHE C 20 82.431 -0.799 4.990 1.00 0.00 H new ATOM 0 HD2 PHE C 20 83.370 -4.731 6.443 1.00 0.00 H new ATOM 0 HE1 PHE C 20 84.583 -0.740 3.760 1.00 0.00 H new ATOM 0 HE2 PHE C 20 85.522 -4.671 5.211 1.00 0.00 H new ATOM 0 HZ PHE C 20 86.129 -2.676 3.868 1.00 0.00 H new ATOM 325 N LYS C 21 78.672 -1.295 6.426 1.00 0.00 N ATOM 326 CA LYS C 21 77.487 -0.935 5.652 1.00 0.00 C ATOM 327 C LYS C 21 77.182 0.553 5.806 1.00 0.00 C ATOM 328 O LYS C 21 76.587 1.174 4.925 1.00 0.00 O ATOM 329 CB LYS C 21 76.278 -1.747 6.121 1.00 0.00 C ATOM 330 CG LYS C 21 76.713 -3.187 6.402 1.00 0.00 C ATOM 331 CD LYS C 21 75.535 -4.134 6.163 1.00 0.00 C ATOM 332 CE LYS C 21 75.910 -5.543 6.626 1.00 0.00 C ATOM 333 NZ LYS C 21 75.587 -6.523 5.550 1.00 0.00 N ATOM 0 H LYS C 21 78.480 -1.830 7.273 1.00 0.00 H new ATOM 0 HA LYS C 21 77.687 -1.156 4.603 1.00 0.00 H new ATOM 0 HB2 LYS C 21 75.853 -1.301 7.020 1.00 0.00 H new ATOM 0 HB3 LYS C 21 75.498 -1.733 5.359 1.00 0.00 H new ATOM 0 HG2 LYS C 21 77.548 -3.458 5.756 1.00 0.00 H new ATOM 0 HG3 LYS C 21 77.063 -3.278 7.430 1.00 0.00 H new ATOM 0 HD2 LYS C 21 74.657 -3.783 6.705 1.00 0.00 H new ATOM 0 HD3 LYS C 21 75.273 -4.145 5.105 1.00 0.00 H new ATOM 0 HE2 LYS C 21 76.972 -5.588 6.866 1.00 0.00 H new ATOM 0 HE3 LYS C 21 75.367 -5.795 7.537 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 75.842 -7.481 5.865 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 74.569 -6.487 5.342 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 76.125 -6.286 4.692 1.00 0.00 H new ATOM 347 N ALA C 22 77.602 1.119 6.934 1.00 0.00 N ATOM 348 CA ALA C 22 77.376 2.539 7.192 1.00 0.00 C ATOM 349 C ALA C 22 78.051 3.378 6.115 1.00 0.00 C ATOM 350 O ALA C 22 77.431 4.249 5.505 1.00 0.00 O ATOM 351 CB ALA C 22 77.941 2.932 8.557 1.00 0.00 C ATOM 0 H ALA C 22 78.095 0.624 7.677 1.00 0.00 H new ATOM 0 HA ALA C 22 76.301 2.721 7.182 1.00 0.00 H new ATOM 0 HB1 ALA C 22 77.764 3.993 8.732 1.00 0.00 H new ATOM 0 HB2 ALA C 22 77.450 2.348 9.336 1.00 0.00 H new ATOM 0 HB3 ALA C 22 79.013 2.735 8.578 1.00 0.00 H new ATOM 357 N ALA C 23 79.330 3.099 5.887 1.00 0.00 N ATOM 358 CA ALA C 23 80.086 3.826 4.876 1.00 0.00 C ATOM 359 C ALA C 23 79.471 3.596 3.500 1.00 0.00 C ATOM 360 O ALA C 23 79.599 4.425 2.598 1.00 0.00 O ATOM 361 CB ALA C 23 81.543 3.368 4.861 1.00 0.00 C ATOM 0 H ALA C 23 79.860 2.382 6.383 1.00 0.00 H new ATOM 0 HA ALA C 23 80.051 4.888 5.120 1.00 0.00 H new ATOM 0 HB1 ALA C 23 82.091 3.923 4.099 1.00 0.00 H new ATOM 0 HB2 ALA C 23 81.992 3.552 5.837 1.00 0.00 H new ATOM 0 HB3 ALA C 23 81.587 2.302 4.636 1.00 0.00 H new ATOM 367 N PHE C 24 78.787 2.463 3.355 1.00 0.00 N ATOM 368 CA PHE C 24 78.136 2.134 2.090 1.00 0.00 C ATOM 369 C PHE C 24 77.046 3.158 1.793 1.00 0.00 C ATOM 370 O PHE C 24 76.795 3.508 0.640 1.00 0.00 O ATOM 371 CB PHE C 24 77.503 0.742 2.156 1.00 0.00 C ATOM 372 CG PHE C 24 78.327 -0.233 1.350 1.00 0.00 C ATOM 373 CD1 PHE C 24 78.449 -0.071 -0.035 1.00 0.00 C ATOM 374 CD2 PHE C 24 78.965 -1.303 1.989 1.00 0.00 C ATOM 375 CE1 PHE C 24 79.210 -0.979 -0.781 1.00 0.00 C ATOM 376 CE2 PHE C 24 79.726 -2.210 1.243 1.00 0.00 C ATOM 377 CZ PHE C 24 79.848 -2.049 -0.142 1.00 0.00 C ATOM 0 H PHE C 24 78.670 1.765 4.089 1.00 0.00 H new ATOM 0 HA PHE C 24 78.889 2.148 1.302 1.00 0.00 H new ATOM 0 HB2 PHE C 24 77.440 0.410 3.192 1.00 0.00 H new ATOM 0 HB3 PHE C 24 76.484 0.777 1.770 1.00 0.00 H new ATOM 0 HD1 PHE C 24 77.956 0.754 -0.528 1.00 0.00 H new ATOM 0 HD2 PHE C 24 78.870 -1.428 3.057 1.00 0.00 H new ATOM 0 HE1 PHE C 24 79.305 -0.854 -1.850 1.00 0.00 H new ATOM 0 HE2 PHE C 24 80.219 -3.035 1.736 1.00 0.00 H new ATOM 0 HZ PHE C 24 80.434 -2.750 -0.718 1.00 0.00 H new ATOM 387 N ASP C 25 76.407 3.637 2.858 1.00 0.00 N ATOM 388 CA ASP C 25 75.345 4.628 2.719 1.00 0.00 C ATOM 389 C ASP C 25 75.935 5.996 2.388 1.00 0.00 C ATOM 390 O ASP C 25 75.208 6.951 2.116 1.00 0.00 O ATOM 391 CB ASP C 25 74.535 4.733 4.012 1.00 0.00 C ATOM 392 CG ASP C 25 73.293 3.853 3.907 1.00 0.00 C ATOM 393 OD1 ASP C 25 73.219 3.076 2.969 1.00 0.00 O ATOM 394 OD2 ASP C 25 72.435 3.969 4.766 1.00 0.00 O ATOM 0 H ASP C 25 76.604 3.357 3.819 1.00 0.00 H new ATOM 0 HA ASP C 25 74.690 4.308 1.909 1.00 0.00 H new ATOM 0 HB2 ASP C 25 75.143 4.422 4.861 1.00 0.00 H new ATOM 0 HB3 ASP C 25 74.246 5.769 4.190 1.00 0.00 H new ATOM 399 N ILE C 26 77.264 6.077 2.400 1.00 0.00 N ATOM 400 CA ILE C 26 77.940 7.332 2.082 1.00 0.00 C ATOM 401 C ILE C 26 78.578 7.222 0.704 1.00 0.00 C ATOM 402 O ILE C 26 78.520 8.150 -0.103 1.00 0.00 O ATOM 403 CB ILE C 26 79.026 7.679 3.109 1.00 0.00 C ATOM 404 CG1 ILE C 26 78.898 6.784 4.342 1.00 0.00 C ATOM 405 CG2 ILE C 26 78.872 9.141 3.532 1.00 0.00 C ATOM 406 CD1 ILE C 26 77.653 7.170 5.140 1.00 0.00 C ATOM 0 H ILE C 26 77.886 5.300 2.623 1.00 0.00 H new ATOM 0 HA ILE C 26 77.193 8.126 2.102 1.00 0.00 H new ATOM 0 HB ILE C 26 80.004 7.521 2.655 1.00 0.00 H new ATOM 0 HG12 ILE C 26 78.836 5.739 4.038 1.00 0.00 H new ATOM 0 HG13 ILE C 26 79.786 6.882 4.967 1.00 0.00 H new ATOM 0 HG21 ILE C 26 79.642 9.392 4.262 1.00 0.00 H new ATOM 0 HG22 ILE C 26 78.976 9.785 2.659 1.00 0.00 H new ATOM 0 HG23 ILE C 26 77.888 9.289 3.977 1.00 0.00 H new ATOM 0 HD11 ILE C 26 77.569 6.528 6.017 1.00 0.00 H new ATOM 0 HD12 ILE C 26 77.733 8.210 5.458 1.00 0.00 H new ATOM 0 HD13 ILE C 26 76.768 7.048 4.515 1.00 0.00 H new ATOM 418 N PHE C 27 79.178 6.063 0.442 1.00 0.00 N ATOM 419 CA PHE C 27 79.817 5.817 -0.846 1.00 0.00 C ATOM 420 C PHE C 27 78.791 5.952 -1.966 1.00 0.00 C ATOM 421 O PHE C 27 79.061 6.544 -3.012 1.00 0.00 O ATOM 422 CB PHE C 27 80.410 4.405 -0.893 1.00 0.00 C ATOM 423 CG PHE C 27 81.594 4.313 0.042 1.00 0.00 C ATOM 424 CD1 PHE C 27 82.602 5.283 -0.001 1.00 0.00 C ATOM 425 CD2 PHE C 27 81.682 3.251 0.951 1.00 0.00 C ATOM 426 CE1 PHE C 27 83.699 5.191 0.867 1.00 0.00 C ATOM 427 CE2 PHE C 27 82.778 3.160 1.817 1.00 0.00 C ATOM 428 CZ PHE C 27 83.786 4.129 1.775 1.00 0.00 C ATOM 0 H PHE C 27 79.234 5.285 1.100 1.00 0.00 H new ATOM 0 HA PHE C 27 80.614 6.549 -0.976 1.00 0.00 H new ATOM 0 HB2 PHE C 27 79.653 3.674 -0.609 1.00 0.00 H new ATOM 0 HB3 PHE C 27 80.719 4.165 -1.910 1.00 0.00 H new ATOM 0 HD1 PHE C 27 82.535 6.102 -0.702 1.00 0.00 H new ATOM 0 HD2 PHE C 27 80.904 2.502 0.984 1.00 0.00 H new ATOM 0 HE1 PHE C 27 84.477 5.939 0.835 1.00 0.00 H new ATOM 0 HE2 PHE C 27 82.845 2.341 2.518 1.00 0.00 H new ATOM 0 HZ PHE C 27 84.632 4.058 2.443 1.00 0.00 H new ATOM 438 N VAL C 28 77.607 5.392 -1.730 1.00 0.00 N ATOM 439 CA VAL C 28 76.534 5.446 -2.718 1.00 0.00 C ATOM 440 C VAL C 28 75.350 6.241 -2.176 1.00 0.00 C ATOM 441 O VAL C 28 74.194 5.941 -2.475 1.00 0.00 O ATOM 442 CB VAL C 28 76.067 4.032 -3.074 1.00 0.00 C ATOM 443 CG1 VAL C 28 77.259 3.215 -3.573 1.00 0.00 C ATOM 444 CG2 VAL C 28 75.477 3.360 -1.831 1.00 0.00 C ATOM 0 H VAL C 28 77.368 4.899 -0.870 1.00 0.00 H new ATOM 0 HA VAL C 28 76.920 5.937 -3.611 1.00 0.00 H new ATOM 0 HB VAL C 28 75.307 4.086 -3.854 1.00 0.00 H new ATOM 0 HG11 VAL C 28 76.929 2.208 -3.827 1.00 0.00 H new ATOM 0 HG12 VAL C 28 77.682 3.692 -4.457 1.00 0.00 H new ATOM 0 HG13 VAL C 28 78.017 3.162 -2.791 1.00 0.00 H new ATOM 0 HG21 VAL C 28 75.145 2.353 -2.085 1.00 0.00 H new ATOM 0 HG22 VAL C 28 76.237 3.306 -1.052 1.00 0.00 H new ATOM 0 HG23 VAL C 28 74.629 3.942 -1.471 1.00 0.00 H new ATOM 454 N LEU C 29 75.651 7.258 -1.372 1.00 0.00 N ATOM 455 CA LEU C 29 74.602 8.092 -0.790 1.00 0.00 C ATOM 456 C LEU C 29 73.848 8.852 -1.879 1.00 0.00 C ATOM 457 O LEU C 29 72.794 9.438 -1.634 1.00 0.00 O ATOM 458 CB LEU C 29 75.201 9.065 0.250 1.00 0.00 C ATOM 459 CG LEU C 29 75.537 10.438 -0.362 1.00 0.00 C ATOM 460 CD1 LEU C 29 76.238 10.273 -1.713 1.00 0.00 C ATOM 461 CD2 LEU C 29 74.251 11.250 -0.544 1.00 0.00 C ATOM 0 H LEU C 29 76.601 7.523 -1.111 1.00 0.00 H new ATOM 0 HA LEU C 29 73.890 7.444 -0.280 1.00 0.00 H new ATOM 0 HB2 LEU C 29 74.495 9.198 1.070 1.00 0.00 H new ATOM 0 HB3 LEU C 29 76.104 8.628 0.675 1.00 0.00 H new ATOM 0 HG LEU C 29 76.210 10.964 0.315 1.00 0.00 H new ATOM 0 HD11 LEU C 29 76.466 11.255 -2.127 1.00 0.00 H new ATOM 0 HD12 LEU C 29 77.163 9.713 -1.577 1.00 0.00 H new ATOM 0 HD13 LEU C 29 75.585 9.733 -2.398 1.00 0.00 H new ATOM 0 HD21 LEU C 29 74.492 12.221 -0.977 1.00 0.00 H new ATOM 0 HD22 LEU C 29 73.573 10.714 -1.209 1.00 0.00 H new ATOM 0 HD23 LEU C 29 73.771 11.394 0.424 1.00 0.00 H new ATOM 473 N GLY C 30 74.401 8.827 -3.085 1.00 0.00 N ATOM 474 CA GLY C 30 73.780 9.508 -4.217 1.00 0.00 C ATOM 475 C GLY C 30 73.857 8.640 -5.467 1.00 0.00 C ATOM 476 O GLY C 30 74.083 9.132 -6.573 1.00 0.00 O ATOM 0 H GLY C 30 75.273 8.346 -3.305 1.00 0.00 H new ATOM 0 HA2 GLY C 30 72.739 9.734 -3.987 1.00 0.00 H new ATOM 0 HA3 GLY C 30 74.280 10.460 -4.396 1.00 0.00 H new ATOM 480 N ALA C 31 73.672 7.338 -5.273 1.00 0.00 N ATOM 481 CA ALA C 31 73.725 6.393 -6.384 1.00 0.00 C ATOM 482 C ALA C 31 72.376 5.709 -6.571 1.00 0.00 C ATOM 483 O ALA C 31 71.525 5.718 -5.681 1.00 0.00 O ATOM 484 CB ALA C 31 74.793 5.329 -6.128 1.00 0.00 C ATOM 0 H ALA C 31 73.485 6.915 -4.364 1.00 0.00 H new ATOM 0 HA ALA C 31 73.975 6.950 -7.287 1.00 0.00 H new ATOM 0 HB1 ALA C 31 74.820 4.632 -6.965 1.00 0.00 H new ATOM 0 HB2 ALA C 31 75.766 5.808 -6.023 1.00 0.00 H new ATOM 0 HB3 ALA C 31 74.555 4.787 -5.213 1.00 0.00 H new ATOM 490 N GLU C 32 72.196 5.119 -7.746 1.00 0.00 N ATOM 491 CA GLU C 32 70.954 4.427 -8.065 1.00 0.00 C ATOM 492 C GLU C 32 70.738 3.250 -7.120 1.00 0.00 C ATOM 493 O GLU C 32 69.627 3.008 -6.647 1.00 0.00 O ATOM 494 CB GLU C 32 71.000 3.915 -9.502 1.00 0.00 C ATOM 495 CG GLU C 32 69.584 3.588 -9.977 1.00 0.00 C ATOM 496 CD GLU C 32 69.317 4.291 -11.304 1.00 0.00 C ATOM 497 OE1 GLU C 32 70.018 3.998 -12.259 1.00 0.00 O ATOM 498 OE2 GLU C 32 68.417 5.113 -11.345 1.00 0.00 O ATOM 0 H GLU C 32 72.892 5.106 -8.492 1.00 0.00 H new ATOM 0 HA GLU C 32 70.130 5.131 -7.951 1.00 0.00 H new ATOM 0 HB2 GLU C 32 71.448 4.667 -10.152 1.00 0.00 H new ATOM 0 HB3 GLU C 32 71.629 3.027 -9.562 1.00 0.00 H new ATOM 0 HG2 GLU C 32 69.468 2.511 -10.094 1.00 0.00 H new ATOM 0 HG3 GLU C 32 68.856 3.907 -9.231 1.00 0.00 H new ATOM 505 N ASP C 33 71.817 2.520 -6.849 1.00 0.00 N ATOM 506 CA ASP C 33 71.740 1.366 -5.957 1.00 0.00 C ATOM 507 C ASP C 33 72.891 1.389 -4.956 1.00 0.00 C ATOM 508 O ASP C 33 72.773 1.951 -3.867 1.00 0.00 O ATOM 509 CB ASP C 33 71.796 0.059 -6.753 1.00 0.00 C ATOM 510 CG ASP C 33 72.587 0.273 -8.039 1.00 0.00 C ATOM 511 OD1 ASP C 33 72.169 1.094 -8.839 1.00 0.00 O ATOM 512 OD2 ASP C 33 73.600 -0.387 -8.205 1.00 0.00 O ATOM 0 H ASP C 33 72.745 2.704 -7.229 1.00 0.00 H new ATOM 0 HA ASP C 33 70.791 1.420 -5.423 1.00 0.00 H new ATOM 0 HB2 ASP C 33 72.262 -0.723 -6.154 1.00 0.00 H new ATOM 0 HB3 ASP C 33 70.786 -0.279 -6.988 1.00 0.00 H new ATOM 517 N GLY C 34 74.007 0.769 -5.333 1.00 0.00 N ATOM 518 CA GLY C 34 75.172 0.724 -4.454 1.00 0.00 C ATOM 519 C GLY C 34 76.464 0.869 -5.250 1.00 0.00 C ATOM 520 O GLY C 34 77.502 0.324 -4.877 1.00 0.00 O ATOM 0 H GLY C 34 74.129 0.297 -6.229 1.00 0.00 H new ATOM 0 HA2 GLY C 34 75.105 1.522 -3.715 1.00 0.00 H new ATOM 0 HA3 GLY C 34 75.182 -0.218 -3.906 1.00 0.00 H new ATOM 524 N CYS C 35 76.390 1.614 -6.350 1.00 0.00 N ATOM 525 CA CYS C 35 77.566 1.827 -7.189 1.00 0.00 C ATOM 526 C CYS C 35 78.477 2.876 -6.565 1.00 0.00 C ATOM 527 O CYS C 35 78.049 3.986 -6.250 1.00 0.00 O ATOM 528 CB CYS C 35 77.156 2.294 -8.585 1.00 0.00 C ATOM 529 SG CYS C 35 75.734 1.327 -9.148 1.00 0.00 S ATOM 0 H CYS C 35 75.541 2.074 -6.678 1.00 0.00 H new ATOM 0 HA CYS C 35 78.097 0.879 -7.268 1.00 0.00 H new ATOM 0 HB2 CYS C 35 76.904 3.354 -8.567 1.00 0.00 H new ATOM 0 HB3 CYS C 35 77.988 2.176 -9.279 1.00 0.00 H new ATOM 0 HG CYS C 35 75.218 0.688 -8.141 1.00 0.00 H new ATOM 535 N ILE C 36 79.741 2.508 -6.390 1.00 0.00 N ATOM 536 CA ILE C 36 80.715 3.418 -5.798 1.00 0.00 C ATOM 537 C ILE C 36 81.597 4.038 -6.875 1.00 0.00 C ATOM 538 O ILE C 36 82.764 3.676 -7.026 1.00 0.00 O ATOM 539 CB ILE C 36 81.601 2.674 -4.800 1.00 0.00 C ATOM 540 CG1 ILE C 36 80.720 1.840 -3.867 1.00 0.00 C ATOM 541 CG2 ILE C 36 82.404 3.682 -3.976 1.00 0.00 C ATOM 542 CD1 ILE C 36 81.604 1.075 -2.882 1.00 0.00 C ATOM 0 H ILE C 36 80.113 1.594 -6.647 1.00 0.00 H new ATOM 0 HA ILE C 36 80.165 4.206 -5.284 1.00 0.00 H new ATOM 0 HB ILE C 36 82.287 2.020 -5.339 1.00 0.00 H new ATOM 0 HG12 ILE C 36 80.030 2.487 -3.326 1.00 0.00 H new ATOM 0 HG13 ILE C 36 80.115 1.143 -4.447 1.00 0.00 H new ATOM 0 HG21 ILE C 36 83.035 3.150 -3.265 1.00 0.00 H new ATOM 0 HG22 ILE C 36 83.029 4.279 -4.640 1.00 0.00 H new ATOM 0 HG23 ILE C 36 81.720 4.337 -3.435 1.00 0.00 H new ATOM 0 HD11 ILE C 36 80.978 0.481 -2.217 1.00 0.00 H new ATOM 0 HD12 ILE C 36 82.276 0.417 -3.432 1.00 0.00 H new ATOM 0 HD13 ILE C 36 82.189 1.782 -2.294 1.00 0.00 H new ATOM 554 N SER C 37 81.029 4.981 -7.619 1.00 0.00 N ATOM 555 CA SER C 37 81.779 5.649 -8.677 1.00 0.00 C ATOM 556 C SER C 37 82.999 6.353 -8.091 1.00 0.00 C ATOM 557 O SER C 37 83.069 6.608 -6.889 1.00 0.00 O ATOM 558 CB SER C 37 80.902 6.680 -9.388 1.00 0.00 C ATOM 559 OG SER C 37 81.037 6.522 -10.794 1.00 0.00 O ATOM 0 H SER C 37 80.065 5.297 -7.512 1.00 0.00 H new ATOM 0 HA SER C 37 82.100 4.894 -9.395 1.00 0.00 H new ATOM 0 HB2 SER C 37 79.860 6.552 -9.095 1.00 0.00 H new ATOM 0 HB3 SER C 37 81.195 7.688 -9.094 1.00 0.00 H new ATOM 0 HG SER C 37 80.475 7.181 -11.253 1.00 0.00 H new ATOM 565 N THR C 38 83.960 6.661 -8.954 1.00 0.00 N ATOM 566 CA THR C 38 85.179 7.335 -8.512 1.00 0.00 C ATOM 567 C THR C 38 84.837 8.629 -7.777 1.00 0.00 C ATOM 568 O THR C 38 85.470 8.978 -6.781 1.00 0.00 O ATOM 569 CB THR C 38 86.075 7.660 -9.709 1.00 0.00 C ATOM 570 OG1 THR C 38 85.607 8.844 -10.340 1.00 0.00 O ATOM 571 CG2 THR C 38 86.040 6.499 -10.706 1.00 0.00 C ATOM 0 H THR C 38 83.922 6.458 -9.953 1.00 0.00 H new ATOM 0 HA THR C 38 85.709 6.664 -7.836 1.00 0.00 H new ATOM 0 HB THR C 38 87.099 7.810 -9.367 1.00 0.00 H new ATOM 0 HG1 THR C 38 86.181 9.055 -11.106 1.00 0.00 H new ATOM 0 HG21 THR C 38 86.679 6.732 -11.558 1.00 0.00 H new ATOM 0 HG22 THR C 38 86.399 5.592 -10.221 1.00 0.00 H new ATOM 0 HG23 THR C 38 85.017 6.346 -11.050 1.00 0.00 H new ATOM 579 N LYS C 39 83.828 9.335 -8.280 1.00 0.00 N ATOM 580 CA LYS C 39 83.406 10.591 -7.662 1.00 0.00 C ATOM 581 C LYS C 39 82.579 10.319 -6.410 1.00 0.00 C ATOM 582 O LYS C 39 82.755 10.966 -5.377 1.00 0.00 O ATOM 583 CB LYS C 39 82.564 11.415 -8.637 1.00 0.00 C ATOM 584 CG LYS C 39 83.266 11.484 -9.994 1.00 0.00 C ATOM 585 CD LYS C 39 83.015 12.854 -10.626 1.00 0.00 C ATOM 586 CE LYS C 39 84.228 13.258 -11.465 1.00 0.00 C ATOM 587 NZ LYS C 39 83.850 13.274 -12.906 1.00 0.00 N ATOM 0 H LYS C 39 83.292 9.064 -9.104 1.00 0.00 H new ATOM 0 HA LYS C 39 84.304 11.148 -7.395 1.00 0.00 H new ATOM 0 HB2 LYS C 39 81.577 10.966 -8.750 1.00 0.00 H new ATOM 0 HB3 LYS C 39 82.414 12.420 -8.243 1.00 0.00 H new ATOM 0 HG2 LYS C 39 84.336 11.318 -9.871 1.00 0.00 H new ATOM 0 HG3 LYS C 39 82.895 10.696 -10.649 1.00 0.00 H new ATOM 0 HD2 LYS C 39 82.122 12.820 -11.251 1.00 0.00 H new ATOM 0 HD3 LYS C 39 82.833 13.597 -9.849 1.00 0.00 H new ATOM 0 HE2 LYS C 39 84.583 14.242 -11.160 1.00 0.00 H new ATOM 0 HE3 LYS C 39 85.047 12.558 -11.300 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 84.674 13.549 -13.478 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 83.531 12.326 -13.192 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 83.081 13.958 -13.056 1.00 0.00 H new ATOM 601 N GLU C 40 81.672 9.354 -6.518 1.00 0.00 N ATOM 602 CA GLU C 40 80.812 8.995 -5.394 1.00 0.00 C ATOM 603 C GLU C 40 81.651 8.555 -4.199 1.00 0.00 C ATOM 604 O GLU C 40 81.184 8.548 -3.060 1.00 0.00 O ATOM 605 CB GLU C 40 79.872 7.854 -5.789 1.00 0.00 C ATOM 606 CG GLU C 40 78.771 8.392 -6.705 1.00 0.00 C ATOM 607 CD GLU C 40 78.056 9.548 -6.014 1.00 0.00 C ATOM 608 OE1 GLU C 40 77.652 9.372 -4.876 1.00 0.00 O ATOM 609 OE2 GLU C 40 77.926 10.592 -6.631 1.00 0.00 O ATOM 0 H GLU C 40 81.513 8.809 -7.366 1.00 0.00 H new ATOM 0 HA GLU C 40 80.227 9.874 -5.122 1.00 0.00 H new ATOM 0 HB2 GLU C 40 80.431 7.068 -6.297 1.00 0.00 H new ATOM 0 HB3 GLU C 40 79.432 7.407 -4.898 1.00 0.00 H new ATOM 0 HG2 GLU C 40 79.200 8.728 -7.649 1.00 0.00 H new ATOM 0 HG3 GLU C 40 78.060 7.600 -6.942 1.00 0.00 H new ATOM 616 N LEU C 41 82.898 8.184 -4.474 1.00 0.00 N ATOM 617 CA LEU C 41 83.802 7.736 -3.419 1.00 0.00 C ATOM 618 C LEU C 41 84.415 8.929 -2.690 1.00 0.00 C ATOM 619 O LEU C 41 84.327 9.039 -1.467 1.00 0.00 O ATOM 620 CB LEU C 41 84.925 6.884 -4.012 1.00 0.00 C ATOM 621 CG LEU C 41 85.973 6.595 -2.936 1.00 0.00 C ATOM 622 CD1 LEU C 41 85.329 5.817 -1.787 1.00 0.00 C ATOM 623 CD2 LEU C 41 87.105 5.762 -3.543 1.00 0.00 C ATOM 0 H LEU C 41 83.303 8.184 -5.410 1.00 0.00 H new ATOM 0 HA LEU C 41 83.224 7.142 -2.711 1.00 0.00 H new ATOM 0 HB2 LEU C 41 84.520 5.949 -4.400 1.00 0.00 H new ATOM 0 HB3 LEU C 41 85.385 7.405 -4.852 1.00 0.00 H new ATOM 0 HG LEU C 41 86.372 7.535 -2.556 1.00 0.00 H new ATOM 0 HD11 LEU C 41 86.078 5.612 -1.022 1.00 0.00 H new ATOM 0 HD12 LEU C 41 84.521 6.408 -1.355 1.00 0.00 H new ATOM 0 HD13 LEU C 41 84.929 4.876 -2.164 1.00 0.00 H new ATOM 0 HD21 LEU C 41 87.854 5.554 -2.779 1.00 0.00 H new ATOM 0 HD22 LEU C 41 86.703 4.822 -3.922 1.00 0.00 H new ATOM 0 HD23 LEU C 41 87.566 6.316 -4.361 1.00 0.00 H new ATOM 635 N GLY C 42 85.042 9.816 -3.455 1.00 0.00 N ATOM 636 CA GLY C 42 85.675 10.998 -2.875 1.00 0.00 C ATOM 637 C GLY C 42 84.769 11.656 -1.839 1.00 0.00 C ATOM 638 O GLY C 42 85.209 12.015 -0.747 1.00 0.00 O ATOM 0 H GLY C 42 85.126 9.742 -4.469 1.00 0.00 H new ATOM 0 HA2 GLY C 42 86.620 10.717 -2.410 1.00 0.00 H new ATOM 0 HA3 GLY C 42 85.909 11.713 -3.664 1.00 0.00 H new ATOM 642 N LYS C 43 83.499 11.816 -2.196 1.00 0.00 N ATOM 643 CA LYS C 43 82.538 12.441 -1.292 1.00 0.00 C ATOM 644 C LYS C 43 82.656 11.861 0.115 1.00 0.00 C ATOM 645 O LYS C 43 82.492 12.570 1.108 1.00 0.00 O ATOM 646 CB LYS C 43 81.110 12.231 -1.795 1.00 0.00 C ATOM 647 CG LYS C 43 80.196 13.291 -1.179 1.00 0.00 C ATOM 648 CD LYS C 43 78.798 13.178 -1.788 1.00 0.00 C ATOM 649 CE LYS C 43 77.984 14.422 -1.429 1.00 0.00 C ATOM 650 NZ LYS C 43 77.758 14.461 0.044 1.00 0.00 N ATOM 0 H LYS C 43 83.113 11.525 -3.094 1.00 0.00 H new ATOM 0 HA LYS C 43 82.762 13.507 -1.262 1.00 0.00 H new ATOM 0 HB2 LYS C 43 81.082 12.298 -2.883 1.00 0.00 H new ATOM 0 HB3 LYS C 43 80.761 11.234 -1.528 1.00 0.00 H new ATOM 0 HG2 LYS C 43 80.145 13.158 -0.098 1.00 0.00 H new ATOM 0 HG3 LYS C 43 80.603 14.286 -1.359 1.00 0.00 H new ATOM 0 HD2 LYS C 43 78.868 13.076 -2.871 1.00 0.00 H new ATOM 0 HD3 LYS C 43 78.299 12.283 -1.416 1.00 0.00 H new ATOM 0 HE2 LYS C 43 78.512 15.320 -1.750 1.00 0.00 H new ATOM 0 HE3 LYS C 43 77.029 14.408 -1.954 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 77.068 15.206 0.270 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 77.392 13.541 0.364 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 78.656 14.663 0.528 1.00 0.00 H new ATOM 664 N VAL C 44 82.941 10.564 0.192 1.00 0.00 N ATOM 665 CA VAL C 44 83.076 9.904 1.488 1.00 0.00 C ATOM 666 C VAL C 44 84.418 10.250 2.123 1.00 0.00 C ATOM 667 O VAL C 44 84.478 10.815 3.216 1.00 0.00 O ATOM 668 CB VAL C 44 82.974 8.386 1.333 1.00 0.00 C ATOM 669 CG1 VAL C 44 83.121 7.722 2.703 1.00 0.00 C ATOM 670 CG2 VAL C 44 81.611 8.026 0.738 1.00 0.00 C ATOM 0 H VAL C 44 83.081 9.956 -0.615 1.00 0.00 H new ATOM 0 HA VAL C 44 82.268 10.256 2.129 1.00 0.00 H new ATOM 0 HB VAL C 44 83.766 8.034 0.671 1.00 0.00 H new ATOM 0 HG11 VAL C 44 83.048 6.640 2.593 1.00 0.00 H new ATOM 0 HG12 VAL C 44 84.091 7.979 3.130 1.00 0.00 H new ATOM 0 HG13 VAL C 44 82.329 8.073 3.364 1.00 0.00 H new ATOM 0 HG21 VAL C 44 81.537 6.944 0.627 1.00 0.00 H new ATOM 0 HG22 VAL C 44 80.820 8.378 1.401 1.00 0.00 H new ATOM 0 HG23 VAL C 44 81.504 8.499 -0.238 1.00 0.00 H new ATOM 680 N MET C 45 85.496 9.905 1.425 1.00 0.00 N ATOM 681 CA MET C 45 86.838 10.182 1.928 1.00 0.00 C ATOM 682 C MET C 45 86.931 11.617 2.435 1.00 0.00 C ATOM 683 O MET C 45 87.663 11.910 3.380 1.00 0.00 O ATOM 684 CB MET C 45 87.879 9.970 0.825 1.00 0.00 C ATOM 685 CG MET C 45 87.565 8.686 0.045 1.00 0.00 C ATOM 686 SD MET C 45 87.127 7.346 1.187 1.00 0.00 S ATOM 687 CE MET C 45 88.656 7.342 2.155 1.00 0.00 C ATOM 0 H MET C 45 85.468 9.438 0.519 1.00 0.00 H new ATOM 0 HA MET C 45 87.038 9.494 2.750 1.00 0.00 H new ATOM 0 HB2 MET C 45 87.883 10.824 0.148 1.00 0.00 H new ATOM 0 HB3 MET C 45 88.875 9.905 1.262 1.00 0.00 H new ATOM 0 HG2 MET C 45 86.743 8.865 -0.648 1.00 0.00 H new ATOM 0 HG3 MET C 45 88.429 8.395 -0.553 1.00 0.00 H new ATOM 0 HE1 MET C 45 88.906 6.319 2.437 1.00 0.00 H new ATOM 0 HE2 MET C 45 89.466 7.762 1.558 1.00 0.00 H new ATOM 0 HE3 MET C 45 88.519 7.943 3.054 1.00 0.00 H new ATOM 697 N ARG C 46 86.176 12.509 1.799 1.00 0.00 N ATOM 698 CA ARG C 46 86.179 13.913 2.200 1.00 0.00 C ATOM 699 C ARG C 46 85.569 14.063 3.590 1.00 0.00 C ATOM 700 O ARG C 46 86.029 14.866 4.402 1.00 0.00 O ATOM 701 CB ARG C 46 85.383 14.760 1.207 1.00 0.00 C ATOM 702 CG ARG C 46 86.187 14.919 -0.084 1.00 0.00 C ATOM 703 CD ARG C 46 85.287 15.488 -1.180 1.00 0.00 C ATOM 704 NE ARG C 46 85.760 15.076 -2.499 1.00 0.00 N ATOM 705 CZ ARG C 46 85.346 15.696 -3.601 1.00 0.00 C ATOM 706 NH1 ARG C 46 84.501 16.686 -3.514 1.00 0.00 N ATOM 707 NH2 ARG C 46 85.786 15.316 -4.769 1.00 0.00 N ATOM 0 H ARG C 46 85.562 12.289 1.015 1.00 0.00 H new ATOM 0 HA ARG C 46 87.212 14.259 2.214 1.00 0.00 H new ATOM 0 HB2 ARG C 46 84.424 14.287 0.995 1.00 0.00 H new ATOM 0 HB3 ARG C 46 85.168 15.738 1.637 1.00 0.00 H new ATOM 0 HG2 ARG C 46 87.036 15.581 0.084 1.00 0.00 H new ATOM 0 HG3 ARG C 46 86.591 13.955 -0.394 1.00 0.00 H new ATOM 0 HD2 ARG C 46 84.263 15.145 -1.032 1.00 0.00 H new ATOM 0 HD3 ARG C 46 85.271 16.576 -1.117 1.00 0.00 H new ATOM 0 HE ARG C 46 86.418 14.301 -2.577 1.00 0.00 H new ATOM 0 HH11 ARG C 46 84.158 16.985 -2.601 1.00 0.00 H new ATOM 0 HH12 ARG C 46 84.184 17.161 -4.359 1.00 0.00 H new ATOM 0 HH21 ARG C 46 86.448 14.543 -4.838 1.00 0.00 H new ATOM 0 HH22 ARG C 46 85.468 15.792 -5.613 1.00 0.00 H new ATOM 721 N MET C 47 84.534 13.271 3.857 1.00 0.00 N ATOM 722 CA MET C 47 83.873 13.314 5.158 1.00 0.00 C ATOM 723 C MET C 47 84.722 12.596 6.204 1.00 0.00 C ATOM 724 O MET C 47 84.381 12.567 7.386 1.00 0.00 O ATOM 725 CB MET C 47 82.498 12.643 5.089 1.00 0.00 C ATOM 726 CG MET C 47 81.916 12.805 3.684 1.00 0.00 C ATOM 727 SD MET C 47 80.146 13.167 3.804 1.00 0.00 S ATOM 728 CE MET C 47 79.718 11.828 4.944 1.00 0.00 C ATOM 0 H MET C 47 84.139 12.599 3.199 1.00 0.00 H new ATOM 0 HA MET C 47 83.749 14.360 5.438 1.00 0.00 H new ATOM 0 HB2 MET C 47 82.586 11.585 5.337 1.00 0.00 H new ATOM 0 HB3 MET C 47 81.828 13.088 5.824 1.00 0.00 H new ATOM 0 HG2 MET C 47 82.428 13.610 3.157 1.00 0.00 H new ATOM 0 HG3 MET C 47 82.074 11.895 3.106 1.00 0.00 H new ATOM 0 HE1 MET C 47 78.717 11.462 4.716 1.00 0.00 H new ATOM 0 HE2 MET C 47 80.435 11.014 4.835 1.00 0.00 H new ATOM 0 HE3 MET C 47 79.744 12.200 5.968 1.00 0.00 H new ATOM 738 N LEU C 48 85.831 12.012 5.753 1.00 0.00 N ATOM 739 CA LEU C 48 86.723 11.292 6.655 1.00 0.00 C ATOM 740 C LEU C 48 87.938 12.148 6.996 1.00 0.00 C ATOM 741 O LEU C 48 88.603 11.933 8.010 1.00 0.00 O ATOM 742 CB LEU C 48 87.196 9.990 6.004 1.00 0.00 C ATOM 743 CG LEU C 48 86.342 8.820 6.501 1.00 0.00 C ATOM 744 CD1 LEU C 48 84.862 9.216 6.495 1.00 0.00 C ATOM 745 CD2 LEU C 48 86.547 7.616 5.578 1.00 0.00 C ATOM 0 H LEU C 48 86.130 12.024 4.778 1.00 0.00 H new ATOM 0 HA LEU C 48 86.173 11.065 7.568 1.00 0.00 H new ATOM 0 HB2 LEU C 48 87.125 10.069 4.919 1.00 0.00 H new ATOM 0 HB3 LEU C 48 88.245 9.814 6.243 1.00 0.00 H new ATOM 0 HG LEU C 48 86.641 8.563 7.517 1.00 0.00 H new ATOM 0 HD11 LEU C 48 84.260 8.379 6.850 1.00 0.00 H new ATOM 0 HD12 LEU C 48 84.712 10.074 7.150 1.00 0.00 H new ATOM 0 HD13 LEU C 48 84.559 9.477 5.481 1.00 0.00 H new ATOM 0 HD21 LEU C 48 85.940 6.781 5.929 1.00 0.00 H new ATOM 0 HD22 LEU C 48 86.248 7.880 4.564 1.00 0.00 H new ATOM 0 HD23 LEU C 48 87.598 7.328 5.583 1.00 0.00 H new ATOM 757 N GLY C 49 88.218 13.124 6.136 1.00 0.00 N ATOM 758 CA GLY C 49 89.356 14.015 6.352 1.00 0.00 C ATOM 759 C GLY C 49 90.332 13.952 5.181 1.00 0.00 C ATOM 760 O GLY C 49 91.466 14.423 5.275 1.00 0.00 O ATOM 0 H GLY C 49 87.679 13.317 5.292 1.00 0.00 H new ATOM 0 HA2 GLY C 49 89.002 15.038 6.480 1.00 0.00 H new ATOM 0 HA3 GLY C 49 89.869 13.738 7.273 1.00 0.00 H new ATOM 764 N GLN C 50 89.881 13.367 4.076 1.00 0.00 N ATOM 765 CA GLN C 50 90.725 13.250 2.891 1.00 0.00 C ATOM 766 C GLN C 50 89.967 13.710 1.651 1.00 0.00 C ATOM 767 O GLN C 50 88.880 13.216 1.350 1.00 0.00 O ATOM 768 CB GLN C 50 91.175 11.801 2.695 1.00 0.00 C ATOM 769 CG GLN C 50 92.134 11.411 3.822 1.00 0.00 C ATOM 770 CD GLN C 50 93.057 10.296 3.344 1.00 0.00 C ATOM 771 OE1 GLN C 50 94.261 10.502 3.186 1.00 0.00 O ATOM 772 NE2 GLN C 50 92.562 9.113 3.103 1.00 0.00 N ATOM 0 H GLN C 50 88.947 12.970 3.976 1.00 0.00 H new ATOM 0 HA GLN C 50 91.600 13.883 3.036 1.00 0.00 H new ATOM 0 HB2 GLN C 50 90.310 11.137 2.692 1.00 0.00 H new ATOM 0 HB3 GLN C 50 91.667 11.689 1.729 1.00 0.00 H new ATOM 0 HG2 GLN C 50 92.721 12.276 4.129 1.00 0.00 H new ATOM 0 HG3 GLN C 50 91.571 11.082 4.695 1.00 0.00 H new ATOM 0 HE21 GLN C 50 91.565 8.941 3.233 1.00 0.00 H new ATOM 0 HE22 GLN C 50 93.172 8.360 2.784 1.00 0.00 H new ATOM 781 N ASN C 51 90.551 14.667 0.937 1.00 0.00 N ATOM 782 CA ASN C 51 89.922 15.194 -0.269 1.00 0.00 C ATOM 783 C ASN C 51 90.759 14.854 -1.499 1.00 0.00 C ATOM 784 O ASN C 51 91.525 15.681 -1.994 1.00 0.00 O ATOM 785 CB ASN C 51 89.767 16.714 -0.170 1.00 0.00 C ATOM 786 CG ASN C 51 89.356 17.279 -1.526 1.00 0.00 C ATOM 787 OD1 ASN C 51 90.040 18.140 -2.080 1.00 0.00 O ATOM 788 ND2 ASN C 51 88.270 16.841 -2.099 1.00 0.00 N ATOM 0 H ASN C 51 91.450 15.090 1.169 1.00 0.00 H new ATOM 0 HA ASN C 51 88.938 14.736 -0.365 1.00 0.00 H new ATOM 0 HB2 ASN C 51 89.018 16.965 0.581 1.00 0.00 H new ATOM 0 HB3 ASN C 51 90.705 17.165 0.153 1.00 0.00 H new ATOM 0 HD21 ASN C 51 87.987 17.212 -3.006 1.00 0.00 H new ATOM 0 HD22 ASN C 51 87.703 16.128 -1.640 1.00 0.00 H new ATOM 795 N PRO C 52 90.610 13.631 -2.003 1.00 0.00 N ATOM 796 CA PRO C 52 91.349 13.168 -3.191 1.00 0.00 C ATOM 797 C PRO C 52 90.721 13.658 -4.493 1.00 0.00 C ATOM 798 O PRO C 52 89.791 14.465 -4.484 1.00 0.00 O ATOM 799 CB PRO C 52 91.238 11.653 -3.069 1.00 0.00 C ATOM 800 CG PRO C 52 90.007 11.363 -2.218 1.00 0.00 C ATOM 801 CD PRO C 52 89.693 12.633 -1.419 1.00 0.00 C ATOM 0 HA PRO C 52 92.373 13.541 -3.225 1.00 0.00 H new ATOM 0 HB2 PRO C 52 91.144 11.193 -4.053 1.00 0.00 H new ATOM 0 HB3 PRO C 52 92.133 11.237 -2.607 1.00 0.00 H new ATOM 0 HG2 PRO C 52 89.161 11.087 -2.848 1.00 0.00 H new ATOM 0 HG3 PRO C 52 90.193 10.524 -1.548 1.00 0.00 H new ATOM 0 HD2 PRO C 52 88.650 12.931 -1.529 1.00 0.00 H new ATOM 0 HD3 PRO C 52 89.874 12.494 -0.353 1.00 0.00 H new ATOM 809 N THR C 53 91.239 13.161 -5.612 1.00 0.00 N ATOM 810 CA THR C 53 90.720 13.555 -6.916 1.00 0.00 C ATOM 811 C THR C 53 90.040 12.370 -7.589 1.00 0.00 C ATOM 812 O THR C 53 90.172 11.228 -7.148 1.00 0.00 O ATOM 813 CB THR C 53 91.855 14.053 -7.815 1.00 0.00 C ATOM 814 OG1 THR C 53 93.089 13.523 -7.350 1.00 0.00 O ATOM 815 CG2 THR C 53 91.908 15.581 -7.778 1.00 0.00 C ATOM 0 H THR C 53 92.009 12.492 -5.642 1.00 0.00 H new ATOM 0 HA THR C 53 89.998 14.358 -6.767 1.00 0.00 H new ATOM 0 HB THR C 53 91.679 13.725 -8.839 1.00 0.00 H new ATOM 0 HG1 THR C 53 93.818 13.838 -7.924 1.00 0.00 H new ATOM 0 HG21 THR C 53 92.717 15.933 -8.419 1.00 0.00 H new ATOM 0 HG22 THR C 53 90.961 15.987 -8.134 1.00 0.00 H new ATOM 0 HG23 THR C 53 92.084 15.914 -6.755 1.00 0.00 H new ATOM 823 N PRO C 54 89.313 12.633 -8.668 1.00 0.00 N ATOM 824 CA PRO C 54 88.609 11.580 -9.419 1.00 0.00 C ATOM 825 C PRO C 54 89.554 10.787 -10.315 1.00 0.00 C ATOM 826 O PRO C 54 89.186 9.755 -10.876 1.00 0.00 O ATOM 827 CB PRO C 54 87.610 12.381 -10.244 1.00 0.00 C ATOM 828 CG PRO C 54 88.169 13.793 -10.369 1.00 0.00 C ATOM 829 CD PRO C 54 89.152 13.996 -9.211 1.00 0.00 C ATOM 0 HA PRO C 54 88.149 10.830 -8.775 1.00 0.00 H new ATOM 0 HB2 PRO C 54 87.473 11.932 -11.228 1.00 0.00 H new ATOM 0 HB3 PRO C 54 86.633 12.394 -9.761 1.00 0.00 H new ATOM 0 HG2 PRO C 54 88.671 13.924 -11.327 1.00 0.00 H new ATOM 0 HG3 PRO C 54 87.367 14.530 -10.326 1.00 0.00 H new ATOM 0 HD2 PRO C 54 90.101 14.408 -9.555 1.00 0.00 H new ATOM 0 HD3 PRO C 54 88.758 14.684 -8.463 1.00 0.00 H new ATOM 837 N GLU C 55 90.781 11.285 -10.438 1.00 0.00 N ATOM 838 CA GLU C 55 91.786 10.623 -11.263 1.00 0.00 C ATOM 839 C GLU C 55 92.515 9.549 -10.461 1.00 0.00 C ATOM 840 O GLU C 55 92.981 8.552 -11.013 1.00 0.00 O ATOM 841 CB GLU C 55 92.805 11.639 -11.782 1.00 0.00 C ATOM 842 CG GLU C 55 92.082 12.721 -12.587 1.00 0.00 C ATOM 843 CD GLU C 55 91.713 12.172 -13.961 1.00 0.00 C ATOM 844 OE1 GLU C 55 90.777 11.394 -14.035 1.00 0.00 O ATOM 845 OE2 GLU C 55 92.372 12.540 -14.921 1.00 0.00 O ATOM 0 H GLU C 55 91.102 12.138 -9.981 1.00 0.00 H new ATOM 0 HA GLU C 55 91.275 10.158 -12.107 1.00 0.00 H new ATOM 0 HB2 GLU C 55 93.343 12.090 -10.948 1.00 0.00 H new ATOM 0 HB3 GLU C 55 93.546 11.140 -12.407 1.00 0.00 H new ATOM 0 HG2 GLU C 55 91.184 13.043 -12.059 1.00 0.00 H new ATOM 0 HG3 GLU C 55 92.721 13.598 -12.694 1.00 0.00 H new ATOM 852 N GLU C 56 92.611 9.762 -9.149 1.00 0.00 N ATOM 853 CA GLU C 56 93.289 8.801 -8.282 1.00 0.00 C ATOM 854 C GLU C 56 92.347 7.660 -7.914 1.00 0.00 C ATOM 855 O GLU C 56 92.625 6.492 -8.187 1.00 0.00 O ATOM 856 CB GLU C 56 93.769 9.480 -6.998 1.00 0.00 C ATOM 857 CG GLU C 56 94.466 10.797 -7.344 1.00 0.00 C ATOM 858 CD GLU C 56 95.975 10.624 -7.213 1.00 0.00 C ATOM 859 OE1 GLU C 56 96.421 10.285 -6.130 1.00 0.00 O ATOM 860 OE2 GLU C 56 96.662 10.832 -8.199 1.00 0.00 O ATOM 0 H GLU C 56 92.234 10.579 -8.669 1.00 0.00 H new ATOM 0 HA GLU C 56 94.147 8.406 -8.826 1.00 0.00 H new ATOM 0 HB2 GLU C 56 92.924 9.667 -6.336 1.00 0.00 H new ATOM 0 HB3 GLU C 56 94.455 8.824 -6.462 1.00 0.00 H new ATOM 0 HG2 GLU C 56 94.211 11.100 -8.360 1.00 0.00 H new ATOM 0 HG3 GLU C 56 94.121 11.589 -6.679 1.00 0.00 H new ATOM 867 N LEU C 57 91.230 8.015 -7.287 1.00 0.00 N ATOM 868 CA LEU C 57 90.247 7.017 -6.876 1.00 0.00 C ATOM 869 C LEU C 57 89.983 6.023 -8.000 1.00 0.00 C ATOM 870 O LEU C 57 89.993 4.811 -7.789 1.00 0.00 O ATOM 871 CB LEU C 57 88.934 7.695 -6.487 1.00 0.00 C ATOM 872 CG LEU C 57 89.171 8.579 -5.264 1.00 0.00 C ATOM 873 CD1 LEU C 57 88.007 9.559 -5.105 1.00 0.00 C ATOM 874 CD2 LEU C 57 89.277 7.699 -4.017 1.00 0.00 C ATOM 0 H LEU C 57 90.984 8.977 -7.054 1.00 0.00 H new ATOM 0 HA LEU C 57 90.651 6.483 -6.016 1.00 0.00 H new ATOM 0 HB2 LEU C 57 88.560 8.294 -7.317 1.00 0.00 H new ATOM 0 HB3 LEU C 57 88.174 6.945 -6.267 1.00 0.00 H new ATOM 0 HG LEU C 57 90.096 9.140 -5.393 1.00 0.00 H new ATOM 0 HD11 LEU C 57 88.178 10.189 -4.232 1.00 0.00 H new ATOM 0 HD12 LEU C 57 87.934 10.184 -5.995 1.00 0.00 H new ATOM 0 HD13 LEU C 57 87.078 9.003 -4.975 1.00 0.00 H new ATOM 0 HD21 LEU C 57 89.446 8.327 -3.142 1.00 0.00 H new ATOM 0 HD22 LEU C 57 88.351 7.138 -3.888 1.00 0.00 H new ATOM 0 HD23 LEU C 57 90.109 7.004 -4.132 1.00 0.00 H new ATOM 886 N GLN C 58 89.747 6.545 -9.199 1.00 0.00 N ATOM 887 CA GLN C 58 89.484 5.684 -10.347 1.00 0.00 C ATOM 888 C GLN C 58 90.413 4.476 -10.318 1.00 0.00 C ATOM 889 O GLN C 58 90.000 3.349 -10.591 1.00 0.00 O ATOM 890 CB GLN C 58 89.696 6.446 -11.656 1.00 0.00 C ATOM 891 CG GLN C 58 89.434 5.510 -12.837 1.00 0.00 C ATOM 892 CD GLN C 58 87.931 5.361 -13.045 1.00 0.00 C ATOM 893 OE1 GLN C 58 87.252 6.316 -13.423 1.00 0.00 O ATOM 894 NE2 GLN C 58 87.365 4.207 -12.818 1.00 0.00 N ATOM 0 H GLN C 58 89.732 7.545 -9.400 1.00 0.00 H new ATOM 0 HA GLN C 58 88.447 5.353 -10.291 1.00 0.00 H new ATOM 0 HB2 GLN C 58 89.026 7.304 -11.703 1.00 0.00 H new ATOM 0 HB3 GLN C 58 90.714 6.833 -11.703 1.00 0.00 H new ATOM 0 HG2 GLN C 58 89.899 5.907 -13.739 1.00 0.00 H new ATOM 0 HG3 GLN C 58 89.884 4.535 -12.649 1.00 0.00 H new ATOM 0 HE21 GLN C 58 87.928 3.416 -12.505 1.00 0.00 H new ATOM 0 HE22 GLN C 58 86.360 4.096 -12.954 1.00 0.00 H new ATOM 903 N GLU C 59 91.674 4.725 -9.974 1.00 0.00 N ATOM 904 CA GLU C 59 92.659 3.650 -9.903 1.00 0.00 C ATOM 905 C GLU C 59 92.214 2.602 -8.889 1.00 0.00 C ATOM 906 O GLU C 59 92.335 1.399 -9.122 1.00 0.00 O ATOM 907 CB GLU C 59 94.025 4.201 -9.492 1.00 0.00 C ATOM 908 CG GLU C 59 94.495 5.219 -10.532 1.00 0.00 C ATOM 909 CD GLU C 59 96.018 5.208 -10.607 1.00 0.00 C ATOM 910 OE1 GLU C 59 96.640 4.901 -9.603 1.00 0.00 O ATOM 911 OE2 GLU C 59 96.541 5.508 -11.668 1.00 0.00 O ATOM 0 H GLU C 59 92.035 5.651 -9.743 1.00 0.00 H new ATOM 0 HA GLU C 59 92.741 3.194 -10.890 1.00 0.00 H new ATOM 0 HB2 GLU C 59 93.960 4.671 -8.511 1.00 0.00 H new ATOM 0 HB3 GLU C 59 94.747 3.389 -9.409 1.00 0.00 H new ATOM 0 HG2 GLU C 59 94.071 4.980 -11.507 1.00 0.00 H new ATOM 0 HG3 GLU C 59 94.141 6.215 -10.266 1.00 0.00 H new ATOM 918 N MET C 60 91.688 3.076 -7.763 1.00 0.00 N ATOM 919 CA MET C 60 91.213 2.177 -6.716 1.00 0.00 C ATOM 920 C MET C 60 89.964 1.437 -7.185 1.00 0.00 C ATOM 921 O MET C 60 89.555 0.439 -6.590 1.00 0.00 O ATOM 922 CB MET C 60 90.885 2.962 -5.442 1.00 0.00 C ATOM 923 CG MET C 60 92.188 3.359 -4.747 1.00 0.00 C ATOM 924 SD MET C 60 91.994 4.990 -3.991 1.00 0.00 S ATOM 925 CE MET C 60 90.503 4.615 -3.038 1.00 0.00 C ATOM 0 H MET C 60 91.580 4.068 -7.553 1.00 0.00 H new ATOM 0 HA MET C 60 92.003 1.458 -6.500 1.00 0.00 H new ATOM 0 HB2 MET C 60 90.304 3.851 -5.688 1.00 0.00 H new ATOM 0 HB3 MET C 60 90.273 2.356 -4.774 1.00 0.00 H new ATOM 0 HG2 MET C 60 92.446 2.622 -3.987 1.00 0.00 H new ATOM 0 HG3 MET C 60 93.007 3.375 -5.467 1.00 0.00 H new ATOM 0 HE1 MET C 60 90.376 5.360 -2.253 1.00 0.00 H new ATOM 0 HE2 MET C 60 89.636 4.632 -3.698 1.00 0.00 H new ATOM 0 HE3 MET C 60 90.598 3.627 -2.588 1.00 0.00 H new ATOM 935 N ILE C 61 89.366 1.938 -8.263 1.00 0.00 N ATOM 936 CA ILE C 61 88.165 1.318 -8.814 1.00 0.00 C ATOM 937 C ILE C 61 88.546 0.236 -9.820 1.00 0.00 C ATOM 938 O ILE C 61 87.870 -0.785 -9.943 1.00 0.00 O ATOM 939 CB ILE C 61 87.293 2.366 -9.508 1.00 0.00 C ATOM 940 CG1 ILE C 61 87.156 3.594 -8.605 1.00 0.00 C ATOM 941 CG2 ILE C 61 85.908 1.779 -9.780 1.00 0.00 C ATOM 942 CD1 ILE C 61 86.421 3.208 -7.320 1.00 0.00 C ATOM 0 H ILE C 61 89.690 2.763 -8.768 1.00 0.00 H new ATOM 0 HA ILE C 61 87.604 0.871 -7.993 1.00 0.00 H new ATOM 0 HB ILE C 61 87.756 2.656 -10.451 1.00 0.00 H new ATOM 0 HG12 ILE C 61 88.142 3.994 -8.366 1.00 0.00 H new ATOM 0 HG13 ILE C 61 86.610 4.381 -9.125 1.00 0.00 H new ATOM 0 HG21 ILE C 61 85.287 2.526 -10.274 1.00 0.00 H new ATOM 0 HG22 ILE C 61 86.004 0.904 -10.422 1.00 0.00 H new ATOM 0 HG23 ILE C 61 85.445 1.488 -8.837 1.00 0.00 H new ATOM 0 HD11 ILE C 61 86.325 4.084 -6.679 1.00 0.00 H new ATOM 0 HD12 ILE C 61 85.430 2.829 -7.568 1.00 0.00 H new ATOM 0 HD13 ILE C 61 86.984 2.435 -6.797 1.00 0.00 H new ATOM 954 N ASP C 62 89.642 0.473 -10.537 1.00 0.00 N ATOM 955 CA ASP C 62 90.115 -0.487 -11.533 1.00 0.00 C ATOM 956 C ASP C 62 90.366 -1.845 -10.885 1.00 0.00 C ATOM 957 O ASP C 62 90.334 -2.882 -11.548 1.00 0.00 O ATOM 958 CB ASP C 62 91.411 0.007 -12.178 1.00 0.00 C ATOM 959 CG ASP C 62 91.277 -0.045 -13.696 1.00 0.00 C ATOM 960 OD1 ASP C 62 90.439 -0.794 -14.172 1.00 0.00 O ATOM 961 OD2 ASP C 62 92.014 0.664 -14.361 1.00 0.00 O ATOM 0 H ASP C 62 90.215 1.312 -10.449 1.00 0.00 H new ATOM 0 HA ASP C 62 89.345 -0.587 -12.298 1.00 0.00 H new ATOM 0 HB2 ASP C 62 91.624 1.026 -11.856 1.00 0.00 H new ATOM 0 HB3 ASP C 62 92.249 -0.611 -11.855 1.00 0.00 H new ATOM 966 N GLU C 63 90.617 -1.826 -9.578 1.00 0.00 N ATOM 967 CA GLU C 63 90.874 -3.061 -8.841 1.00 0.00 C ATOM 968 C GLU C 63 89.599 -3.889 -8.725 1.00 0.00 C ATOM 969 O GLU C 63 89.624 -5.115 -8.828 1.00 0.00 O ATOM 970 CB GLU C 63 91.385 -2.746 -7.434 1.00 0.00 C ATOM 971 CG GLU C 63 92.237 -1.476 -7.471 1.00 0.00 C ATOM 972 CD GLU C 63 93.355 -1.582 -6.440 1.00 0.00 C ATOM 973 OE1 GLU C 63 93.060 -1.927 -5.308 1.00 0.00 O ATOM 974 OE2 GLU C 63 94.491 -1.318 -6.799 1.00 0.00 O ATOM 0 H GLU C 63 90.648 -0.978 -9.012 1.00 0.00 H new ATOM 0 HA GLU C 63 91.629 -3.626 -9.388 1.00 0.00 H new ATOM 0 HB2 GLU C 63 90.545 -2.613 -6.752 1.00 0.00 H new ATOM 0 HB3 GLU C 63 91.974 -3.581 -7.055 1.00 0.00 H new ATOM 0 HG2 GLU C 63 92.658 -1.337 -8.467 1.00 0.00 H new ATOM 0 HG3 GLU C 63 91.617 -0.604 -7.263 1.00 0.00 H new ATOM 981 N VAL C 64 88.484 -3.201 -8.503 1.00 0.00 N ATOM 982 CA VAL C 64 87.196 -3.874 -8.366 1.00 0.00 C ATOM 983 C VAL C 64 86.451 -3.880 -9.697 1.00 0.00 C ATOM 984 O VAL C 64 85.705 -4.810 -10.004 1.00 0.00 O ATOM 985 CB VAL C 64 86.337 -3.166 -7.319 1.00 0.00 C ATOM 986 CG1 VAL C 64 86.833 -3.531 -5.918 1.00 0.00 C ATOM 987 CG2 VAL C 64 86.443 -1.652 -7.517 1.00 0.00 C ATOM 0 H VAL C 64 88.445 -2.186 -8.415 1.00 0.00 H new ATOM 0 HA VAL C 64 87.384 -4.901 -8.052 1.00 0.00 H new ATOM 0 HB VAL C 64 85.298 -3.478 -7.429 1.00 0.00 H new ATOM 0 HG11 VAL C 64 86.220 -3.026 -5.172 1.00 0.00 H new ATOM 0 HG12 VAL C 64 86.762 -4.609 -5.776 1.00 0.00 H new ATOM 0 HG13 VAL C 64 87.871 -3.218 -5.807 1.00 0.00 H new ATOM 0 HG21 VAL C 64 85.831 -1.144 -6.772 1.00 0.00 H new ATOM 0 HG22 VAL C 64 87.482 -1.342 -7.406 1.00 0.00 H new ATOM 0 HG23 VAL C 64 86.091 -1.390 -8.515 1.00 0.00 H new ATOM 997 N ASP C 65 86.659 -2.827 -10.481 1.00 0.00 N ATOM 998 CA ASP C 65 85.999 -2.716 -11.778 1.00 0.00 C ATOM 999 C ASP C 65 86.660 -3.642 -12.795 1.00 0.00 C ATOM 1000 O ASP C 65 87.162 -3.197 -13.828 1.00 0.00 O ATOM 1001 CB ASP C 65 86.068 -1.277 -12.294 1.00 0.00 C ATOM 1002 CG ASP C 65 84.775 -0.550 -11.943 1.00 0.00 C ATOM 1003 OD1 ASP C 65 84.409 -0.562 -10.779 1.00 0.00 O ATOM 1004 OD2 ASP C 65 84.168 0.007 -12.843 1.00 0.00 O ATOM 0 H ASP C 65 87.272 -2.046 -10.245 1.00 0.00 H new ATOM 0 HA ASP C 65 84.956 -3.005 -11.649 1.00 0.00 H new ATOM 0 HB2 ASP C 65 86.920 -0.761 -11.851 1.00 0.00 H new ATOM 0 HB3 ASP C 65 86.219 -1.273 -13.374 1.00 0.00 H new ATOM 1009 N GLU C 66 86.651 -4.937 -12.491 1.00 0.00 N ATOM 1010 CA GLU C 66 87.249 -5.923 -13.386 1.00 0.00 C ATOM 1011 C GLU C 66 86.300 -6.240 -14.539 1.00 0.00 C ATOM 1012 O GLU C 66 86.695 -6.837 -15.541 1.00 0.00 O ATOM 1013 CB GLU C 66 87.560 -7.216 -12.629 1.00 0.00 C ATOM 1014 CG GLU C 66 89.032 -7.225 -12.215 1.00 0.00 C ATOM 1015 CD GLU C 66 89.202 -8.073 -10.959 1.00 0.00 C ATOM 1016 OE1 GLU C 66 88.938 -9.262 -11.031 1.00 0.00 O ATOM 1017 OE2 GLU C 66 89.594 -7.522 -9.943 1.00 0.00 O ATOM 0 H GLU C 66 86.241 -5.325 -11.641 1.00 0.00 H new ATOM 0 HA GLU C 66 88.174 -5.502 -13.780 1.00 0.00 H new ATOM 0 HB2 GLU C 66 86.923 -7.296 -11.748 1.00 0.00 H new ATOM 0 HB3 GLU C 66 87.343 -8.079 -13.258 1.00 0.00 H new ATOM 0 HG2 GLU C 66 89.645 -7.625 -13.022 1.00 0.00 H new ATOM 0 HG3 GLU C 66 89.375 -6.207 -12.029 1.00 0.00 H new ATOM 1024 N ASP C 67 85.043 -5.832 -14.384 1.00 0.00 N ATOM 1025 CA ASP C 67 84.039 -6.075 -15.417 1.00 0.00 C ATOM 1026 C ASP C 67 83.881 -4.849 -16.314 1.00 0.00 C ATOM 1027 O ASP C 67 83.093 -4.855 -17.260 1.00 0.00 O ATOM 1028 CB ASP C 67 82.687 -6.405 -14.782 1.00 0.00 C ATOM 1029 CG ASP C 67 82.309 -5.310 -13.791 1.00 0.00 C ATOM 1030 OD1 ASP C 67 83.200 -4.604 -13.351 1.00 0.00 O ATOM 1031 OD2 ASP C 67 81.133 -5.195 -13.486 1.00 0.00 O ATOM 0 H ASP C 67 84.697 -5.337 -13.562 1.00 0.00 H new ATOM 0 HA ASP C 67 84.376 -6.920 -16.017 1.00 0.00 H new ATOM 0 HB2 ASP C 67 81.922 -6.491 -15.554 1.00 0.00 H new ATOM 0 HB3 ASP C 67 82.737 -7.368 -14.274 1.00 0.00 H new ATOM 1036 N GLY C 68 84.637 -3.798 -16.009 1.00 0.00 N ATOM 1037 CA GLY C 68 84.570 -2.571 -16.798 1.00 0.00 C ATOM 1038 C GLY C 68 83.203 -1.910 -16.660 1.00 0.00 C ATOM 1039 O GLY C 68 82.788 -1.125 -17.513 1.00 0.00 O ATOM 0 H GLY C 68 85.296 -3.770 -15.231 1.00 0.00 H new ATOM 0 HA2 GLY C 68 85.347 -1.880 -16.471 1.00 0.00 H new ATOM 0 HA3 GLY C 68 84.765 -2.797 -17.846 1.00 0.00 H new ATOM 1043 N SER C 69 82.506 -2.234 -15.573 1.00 0.00 N ATOM 1044 CA SER C 69 81.184 -1.662 -15.331 1.00 0.00 C ATOM 1045 C SER C 69 81.289 -0.155 -15.123 1.00 0.00 C ATOM 1046 O SER C 69 80.336 0.588 -15.357 1.00 0.00 O ATOM 1047 CB SER C 69 80.542 -2.293 -14.095 1.00 0.00 C ATOM 1048 OG SER C 69 81.548 -2.558 -13.126 1.00 0.00 O ATOM 0 H SER C 69 82.829 -2.881 -14.854 1.00 0.00 H new ATOM 0 HA SER C 69 80.564 -1.868 -16.203 1.00 0.00 H new ATOM 0 HB2 SER C 69 79.789 -1.623 -13.680 1.00 0.00 H new ATOM 0 HB3 SER C 69 80.031 -3.217 -14.368 1.00 0.00 H new ATOM 0 HG SER C 69 81.441 -1.947 -12.368 1.00 0.00 H new ATOM 1054 N GLY C 70 82.464 0.287 -14.683 1.00 0.00 N ATOM 1055 CA GLY C 70 82.693 1.710 -14.447 1.00 0.00 C ATOM 1056 C GLY C 70 82.182 2.125 -13.072 1.00 0.00 C ATOM 1057 O GLY C 70 82.076 3.312 -12.766 1.00 0.00 O ATOM 0 H GLY C 70 83.265 -0.312 -14.484 1.00 0.00 H new ATOM 0 HA2 GLY C 70 83.758 1.928 -14.524 1.00 0.00 H new ATOM 0 HA3 GLY C 70 82.191 2.295 -15.217 1.00 0.00 H new ATOM 1061 N THR C 71 81.865 1.133 -12.244 1.00 0.00 N ATOM 1062 CA THR C 71 81.365 1.408 -10.900 1.00 0.00 C ATOM 1063 C THR C 71 81.556 0.191 -10.001 1.00 0.00 C ATOM 1064 O THR C 71 81.788 -0.920 -10.477 1.00 0.00 O ATOM 1065 CB THR C 71 79.878 1.767 -10.947 1.00 0.00 C ATOM 1066 OG1 THR C 71 79.353 1.432 -12.224 1.00 0.00 O ATOM 1067 CG2 THR C 71 79.706 3.267 -10.699 1.00 0.00 C ATOM 0 H THR C 71 81.944 0.143 -12.476 1.00 0.00 H new ATOM 0 HA THR C 71 81.929 2.249 -10.496 1.00 0.00 H new ATOM 0 HB THR C 71 79.344 1.211 -10.177 1.00 0.00 H new ATOM 0 HG1 THR C 71 78.400 1.660 -12.256 1.00 0.00 H new ATOM 0 HG21 THR C 71 78.647 3.522 -10.733 1.00 0.00 H new ATOM 0 HG22 THR C 71 80.110 3.522 -9.719 1.00 0.00 H new ATOM 0 HG23 THR C 71 80.239 3.826 -11.468 1.00 0.00 H new ATOM 1075 N VAL C 72 81.458 0.414 -8.694 1.00 0.00 N ATOM 1076 CA VAL C 72 81.624 -0.672 -7.733 1.00 0.00 C ATOM 1077 C VAL C 72 80.317 -0.928 -6.989 1.00 0.00 C ATOM 1078 O VAL C 72 79.772 -0.039 -6.337 1.00 0.00 O ATOM 1079 CB VAL C 72 82.718 -0.329 -6.721 1.00 0.00 C ATOM 1080 CG1 VAL C 72 83.338 -1.618 -6.181 1.00 0.00 C ATOM 1081 CG2 VAL C 72 83.801 0.505 -7.407 1.00 0.00 C ATOM 0 H VAL C 72 81.267 1.326 -8.279 1.00 0.00 H new ATOM 0 HA VAL C 72 81.910 -1.569 -8.283 1.00 0.00 H new ATOM 0 HB VAL C 72 82.285 0.239 -5.898 1.00 0.00 H new ATOM 0 HG11 VAL C 72 84.118 -1.372 -5.460 1.00 0.00 H new ATOM 0 HG12 VAL C 72 82.568 -2.216 -5.693 1.00 0.00 H new ATOM 0 HG13 VAL C 72 83.771 -2.186 -7.004 1.00 0.00 H new ATOM 0 HG21 VAL C 72 84.582 0.751 -6.687 1.00 0.00 H new ATOM 0 HG22 VAL C 72 84.232 -0.065 -8.230 1.00 0.00 H new ATOM 0 HG23 VAL C 72 83.362 1.425 -7.794 1.00 0.00 H new ATOM 1091 N ASP C 73 79.821 -2.157 -7.100 1.00 0.00 N ATOM 1092 CA ASP C 73 78.573 -2.530 -6.437 1.00 0.00 C ATOM 1093 C ASP C 73 78.833 -2.905 -4.979 1.00 0.00 C ATOM 1094 O ASP C 73 79.927 -2.694 -4.455 1.00 0.00 O ATOM 1095 CB ASP C 73 77.925 -3.714 -7.156 1.00 0.00 C ATOM 1096 CG ASP C 73 78.944 -4.837 -7.299 1.00 0.00 C ATOM 1097 OD1 ASP C 73 79.384 -5.341 -6.282 1.00 0.00 O ATOM 1098 OD2 ASP C 73 79.270 -5.175 -8.425 1.00 0.00 O ATOM 0 H ASP C 73 80.258 -2.906 -7.637 1.00 0.00 H new ATOM 0 HA ASP C 73 77.900 -1.673 -6.471 1.00 0.00 H new ATOM 0 HB2 ASP C 73 77.058 -4.064 -6.596 1.00 0.00 H new ATOM 0 HB3 ASP C 73 77.567 -3.406 -8.138 1.00 0.00 H new ATOM 1103 N PHE C 74 77.810 -3.455 -4.327 1.00 0.00 N ATOM 1104 CA PHE C 74 77.931 -3.847 -2.924 1.00 0.00 C ATOM 1105 C PHE C 74 78.647 -5.190 -2.786 1.00 0.00 C ATOM 1106 O PHE C 74 78.764 -5.732 -1.687 1.00 0.00 O ATOM 1107 CB PHE C 74 76.545 -3.958 -2.283 1.00 0.00 C ATOM 1108 CG PHE C 74 76.683 -4.429 -0.855 1.00 0.00 C ATOM 1109 CD1 PHE C 74 77.050 -3.523 0.147 1.00 0.00 C ATOM 1110 CD2 PHE C 74 76.447 -5.771 -0.534 1.00 0.00 C ATOM 1111 CE1 PHE C 74 77.181 -3.960 1.472 1.00 0.00 C ATOM 1112 CE2 PHE C 74 76.577 -6.208 0.790 1.00 0.00 C ATOM 1113 CZ PHE C 74 76.945 -5.302 1.793 1.00 0.00 C ATOM 0 H PHE C 74 76.897 -3.638 -4.743 1.00 0.00 H new ATOM 0 HA PHE C 74 78.515 -3.079 -2.417 1.00 0.00 H new ATOM 0 HB2 PHE C 74 76.042 -2.991 -2.311 1.00 0.00 H new ATOM 0 HB3 PHE C 74 75.927 -4.655 -2.848 1.00 0.00 H new ATOM 0 HD1 PHE C 74 77.232 -2.488 -0.101 1.00 0.00 H new ATOM 0 HD2 PHE C 74 76.165 -6.470 -1.308 1.00 0.00 H new ATOM 0 HE1 PHE C 74 77.464 -3.261 2.246 1.00 0.00 H new ATOM 0 HE2 PHE C 74 76.394 -7.243 1.038 1.00 0.00 H new ATOM 0 HZ PHE C 74 77.047 -5.639 2.814 1.00 0.00 H new ATOM 1123 N ASP C 75 79.124 -5.722 -3.907 1.00 0.00 N ATOM 1124 CA ASP C 75 79.825 -7.004 -3.886 1.00 0.00 C ATOM 1125 C ASP C 75 81.328 -6.802 -4.062 1.00 0.00 C ATOM 1126 O ASP C 75 82.098 -6.897 -3.106 1.00 0.00 O ATOM 1127 CB ASP C 75 79.311 -7.923 -4.998 1.00 0.00 C ATOM 1128 CG ASP C 75 77.902 -8.397 -4.657 1.00 0.00 C ATOM 1129 OD1 ASP C 75 77.147 -7.606 -4.116 1.00 0.00 O ATOM 1130 OD2 ASP C 75 77.599 -9.544 -4.941 1.00 0.00 O ATOM 0 H ASP C 75 79.041 -5.294 -4.829 1.00 0.00 H new ATOM 0 HA ASP C 75 79.634 -7.467 -2.918 1.00 0.00 H new ATOM 0 HB2 ASP C 75 79.307 -7.392 -5.950 1.00 0.00 H new ATOM 0 HB3 ASP C 75 79.976 -8.779 -5.113 1.00 0.00 H new ATOM 1135 N GLU C 76 81.737 -6.528 -5.298 1.00 0.00 N ATOM 1136 CA GLU C 76 83.153 -6.321 -5.595 1.00 0.00 C ATOM 1137 C GLU C 76 83.812 -5.459 -4.522 1.00 0.00 C ATOM 1138 O GLU C 76 84.992 -5.628 -4.213 1.00 0.00 O ATOM 1139 CB GLU C 76 83.328 -5.641 -6.955 1.00 0.00 C ATOM 1140 CG GLU C 76 82.298 -4.520 -7.107 1.00 0.00 C ATOM 1141 CD GLU C 76 82.446 -3.876 -8.480 1.00 0.00 C ATOM 1142 OE1 GLU C 76 83.536 -3.419 -8.783 1.00 0.00 O ATOM 1143 OE2 GLU C 76 81.469 -3.851 -9.209 1.00 0.00 O ATOM 0 H GLU C 76 81.116 -6.445 -6.103 1.00 0.00 H new ATOM 0 HA GLU C 76 83.630 -7.301 -5.615 1.00 0.00 H new ATOM 0 HB2 GLU C 76 84.336 -5.236 -7.043 1.00 0.00 H new ATOM 0 HB3 GLU C 76 83.207 -6.371 -7.756 1.00 0.00 H new ATOM 0 HG2 GLU C 76 81.291 -4.919 -6.987 1.00 0.00 H new ATOM 0 HG3 GLU C 76 82.440 -3.773 -6.326 1.00 0.00 H new ATOM 1150 N PHE C 77 83.043 -4.532 -3.958 1.00 0.00 N ATOM 1151 CA PHE C 77 83.577 -3.653 -2.922 1.00 0.00 C ATOM 1152 C PHE C 77 84.180 -4.477 -1.787 1.00 0.00 C ATOM 1153 O PHE C 77 85.397 -4.639 -1.697 1.00 0.00 O ATOM 1154 CB PHE C 77 82.475 -2.750 -2.360 1.00 0.00 C ATOM 1155 CG PHE C 77 82.992 -2.026 -1.140 1.00 0.00 C ATOM 1156 CD1 PHE C 77 83.856 -0.935 -1.286 1.00 0.00 C ATOM 1157 CD2 PHE C 77 82.609 -2.450 0.138 1.00 0.00 C ATOM 1158 CE1 PHE C 77 84.336 -0.266 -0.154 1.00 0.00 C ATOM 1159 CE2 PHE C 77 83.090 -1.782 1.270 1.00 0.00 C ATOM 1160 CZ PHE C 77 83.954 -0.690 1.124 1.00 0.00 C ATOM 0 H PHE C 77 82.064 -4.371 -4.195 1.00 0.00 H new ATOM 0 HA PHE C 77 84.352 -3.033 -3.372 1.00 0.00 H new ATOM 0 HB2 PHE C 77 82.158 -2.031 -3.116 1.00 0.00 H new ATOM 0 HB3 PHE C 77 81.600 -3.345 -2.099 1.00 0.00 H new ATOM 0 HD1 PHE C 77 84.152 -0.609 -2.272 1.00 0.00 H new ATOM 0 HD2 PHE C 77 81.943 -3.292 0.250 1.00 0.00 H new ATOM 0 HE1 PHE C 77 85.001 0.577 -0.267 1.00 0.00 H new ATOM 0 HE2 PHE C 77 82.795 -2.109 2.256 1.00 0.00 H new ATOM 0 HZ PHE C 77 84.326 -0.175 1.997 1.00 0.00 H new ATOM 1170 N LEU C 78 83.313 -4.995 -0.923 1.00 0.00 N ATOM 1171 CA LEU C 78 83.766 -5.803 0.207 1.00 0.00 C ATOM 1172 C LEU C 78 84.941 -6.685 -0.203 1.00 0.00 C ATOM 1173 O LEU C 78 86.014 -6.635 0.400 1.00 0.00 O ATOM 1174 CB LEU C 78 82.632 -6.694 0.719 1.00 0.00 C ATOM 1175 CG LEU C 78 81.695 -5.869 1.603 1.00 0.00 C ATOM 1176 CD1 LEU C 78 80.359 -6.598 1.754 1.00 0.00 C ATOM 1177 CD2 LEU C 78 82.330 -5.681 2.983 1.00 0.00 C ATOM 0 H LEU C 78 82.302 -4.872 -0.981 1.00 0.00 H new ATOM 0 HA LEU C 78 84.080 -5.123 0.999 1.00 0.00 H new ATOM 0 HB2 LEU C 78 82.079 -7.116 -0.120 1.00 0.00 H new ATOM 0 HB3 LEU C 78 83.040 -7.531 1.285 1.00 0.00 H new ATOM 0 HG LEU C 78 81.527 -4.895 1.143 1.00 0.00 H new ATOM 0 HD11 LEU C 78 79.692 -6.009 2.384 1.00 0.00 H new ATOM 0 HD12 LEU C 78 79.905 -6.733 0.772 1.00 0.00 H new ATOM 0 HD13 LEU C 78 80.526 -7.572 2.214 1.00 0.00 H new ATOM 0 HD21 LEU C 78 81.663 -5.093 3.613 1.00 0.00 H new ATOM 0 HD22 LEU C 78 82.498 -6.655 3.442 1.00 0.00 H new ATOM 0 HD23 LEU C 78 83.282 -5.160 2.878 1.00 0.00 H new ATOM 1189 N VAL C 79 84.725 -7.495 -1.235 1.00 0.00 N ATOM 1190 CA VAL C 79 85.771 -8.391 -1.724 1.00 0.00 C ATOM 1191 C VAL C 79 87.130 -7.701 -1.680 1.00 0.00 C ATOM 1192 O VAL C 79 88.018 -8.092 -0.923 1.00 0.00 O ATOM 1193 CB VAL C 79 85.477 -8.823 -3.160 1.00 0.00 C ATOM 1194 CG1 VAL C 79 86.582 -9.760 -3.650 1.00 0.00 C ATOM 1195 CG2 VAL C 79 84.134 -9.554 -3.203 1.00 0.00 C ATOM 0 H VAL C 79 83.844 -7.551 -1.746 1.00 0.00 H new ATOM 0 HA VAL C 79 85.790 -9.269 -1.078 1.00 0.00 H new ATOM 0 HB VAL C 79 85.437 -7.944 -3.803 1.00 0.00 H new ATOM 0 HG11 VAL C 79 86.371 -10.067 -4.674 1.00 0.00 H new ATOM 0 HG12 VAL C 79 87.540 -9.241 -3.617 1.00 0.00 H new ATOM 0 HG13 VAL C 79 86.624 -10.640 -3.008 1.00 0.00 H new ATOM 0 HG21 VAL C 79 83.921 -9.864 -4.226 1.00 0.00 H new ATOM 0 HG22 VAL C 79 84.177 -10.433 -2.559 1.00 0.00 H new ATOM 0 HG23 VAL C 79 83.345 -8.887 -2.854 1.00 0.00 H new ATOM 1205 N MET C 80 87.281 -6.667 -2.503 1.00 0.00 N ATOM 1206 CA MET C 80 88.537 -5.923 -2.553 1.00 0.00 C ATOM 1207 C MET C 80 89.062 -5.672 -1.143 1.00 0.00 C ATOM 1208 O MET C 80 90.198 -6.016 -0.818 1.00 0.00 O ATOM 1209 CB MET C 80 88.333 -4.580 -3.257 1.00 0.00 C ATOM 1210 CG MET C 80 89.597 -3.728 -3.114 1.00 0.00 C ATOM 1211 SD MET C 80 89.632 -2.476 -4.421 1.00 0.00 S ATOM 1212 CE MET C 80 89.693 -1.022 -3.345 1.00 0.00 C ATOM 0 H MET C 80 86.558 -6.328 -3.138 1.00 0.00 H new ATOM 0 HA MET C 80 89.261 -6.518 -3.109 1.00 0.00 H new ATOM 0 HB2 MET C 80 88.108 -4.741 -4.311 1.00 0.00 H new ATOM 0 HB3 MET C 80 87.479 -4.058 -2.825 1.00 0.00 H new ATOM 0 HG2 MET C 80 89.616 -3.248 -2.135 1.00 0.00 H new ATOM 0 HG3 MET C 80 90.483 -4.360 -3.177 1.00 0.00 H new ATOM 0 HE1 MET C 80 89.721 -0.119 -3.955 1.00 0.00 H new ATOM 0 HE2 MET C 80 88.808 -1.003 -2.709 1.00 0.00 H new ATOM 0 HE3 MET C 80 90.587 -1.067 -2.723 1.00 0.00 H new ATOM 1222 N MET C 81 88.219 -5.069 -0.309 1.00 0.00 N ATOM 1223 CA MET C 81 88.602 -4.774 1.069 1.00 0.00 C ATOM 1224 C MET C 81 89.244 -5.996 1.720 1.00 0.00 C ATOM 1225 O MET C 81 90.134 -5.872 2.562 1.00 0.00 O ATOM 1226 CB MET C 81 87.378 -4.363 1.889 1.00 0.00 C ATOM 1227 CG MET C 81 86.924 -2.966 1.465 1.00 0.00 C ATOM 1228 SD MET C 81 88.219 -1.765 1.858 1.00 0.00 S ATOM 1229 CE MET C 81 88.662 -1.342 0.155 1.00 0.00 C ATOM 0 H MET C 81 87.274 -4.777 -0.560 1.00 0.00 H new ATOM 0 HA MET C 81 89.319 -3.954 1.048 1.00 0.00 H new ATOM 0 HB2 MET C 81 86.570 -5.080 1.740 1.00 0.00 H new ATOM 0 HB3 MET C 81 87.620 -4.371 2.952 1.00 0.00 H new ATOM 0 HG2 MET C 81 86.711 -2.950 0.396 1.00 0.00 H new ATOM 0 HG3 MET C 81 86.000 -2.701 1.978 1.00 0.00 H new ATOM 0 HE1 MET C 81 89.733 -1.151 0.095 1.00 0.00 H new ATOM 0 HE2 MET C 81 88.404 -2.170 -0.505 1.00 0.00 H new ATOM 0 HE3 MET C 81 88.116 -0.450 -0.152 1.00 0.00 H new ATOM 1239 N VAL C 82 88.780 -7.178 1.323 1.00 0.00 N ATOM 1240 CA VAL C 82 89.314 -8.419 1.877 1.00 0.00 C ATOM 1241 C VAL C 82 90.575 -8.841 1.129 1.00 0.00 C ATOM 1242 O VAL C 82 91.433 -9.535 1.674 1.00 0.00 O ATOM 1243 CB VAL C 82 88.277 -9.539 1.780 1.00 0.00 C ATOM 1244 CG1 VAL C 82 88.581 -10.611 2.828 1.00 0.00 C ATOM 1245 CG2 VAL C 82 86.881 -8.965 2.033 1.00 0.00 C ATOM 0 H VAL C 82 88.044 -7.303 0.628 1.00 0.00 H new ATOM 0 HA VAL C 82 89.558 -8.241 2.924 1.00 0.00 H new ATOM 0 HB VAL C 82 88.316 -9.982 0.785 1.00 0.00 H new ATOM 0 HG11 VAL C 82 87.841 -11.409 2.758 1.00 0.00 H new ATOM 0 HG12 VAL C 82 89.575 -11.021 2.651 1.00 0.00 H new ATOM 0 HG13 VAL C 82 88.544 -10.168 3.823 1.00 0.00 H new ATOM 0 HG21 VAL C 82 86.142 -9.763 1.964 1.00 0.00 H new ATOM 0 HG22 VAL C 82 86.845 -8.522 3.028 1.00 0.00 H new ATOM 0 HG23 VAL C 82 86.661 -8.201 1.287 1.00 0.00 H new ATOM 1255 N ARG C 83 90.677 -8.416 -0.126 1.00 0.00 N ATOM 1256 CA ARG C 83 91.841 -8.759 -0.940 1.00 0.00 C ATOM 1257 C ARG C 83 93.013 -7.841 -0.610 1.00 0.00 C ATOM 1258 O ARG C 83 94.174 -8.241 -0.687 1.00 0.00 O ATOM 1259 CB ARG C 83 91.513 -8.634 -2.430 1.00 0.00 C ATOM 1260 CG ARG C 83 91.893 -9.933 -3.145 1.00 0.00 C ATOM 1261 CD ARG C 83 91.057 -10.082 -4.417 1.00 0.00 C ATOM 1262 NE ARG C 83 91.901 -10.450 -5.550 1.00 0.00 N ATOM 1263 CZ ARG C 83 91.380 -11.000 -6.643 1.00 0.00 C ATOM 1264 NH1 ARG C 83 90.094 -11.209 -6.718 1.00 0.00 N ATOM 1265 NH2 ARG C 83 92.153 -11.328 -7.642 1.00 0.00 N ATOM 0 H ARG C 83 89.979 -7.841 -0.598 1.00 0.00 H new ATOM 0 HA ARG C 83 92.113 -9.790 -0.716 1.00 0.00 H new ATOM 0 HB2 ARG C 83 90.451 -8.430 -2.564 1.00 0.00 H new ATOM 0 HB3 ARG C 83 92.056 -7.795 -2.864 1.00 0.00 H new ATOM 0 HG2 ARG C 83 92.954 -9.926 -3.394 1.00 0.00 H new ATOM 0 HG3 ARG C 83 91.726 -10.785 -2.486 1.00 0.00 H new ATOM 0 HD2 ARG C 83 90.290 -10.842 -4.267 1.00 0.00 H new ATOM 0 HD3 ARG C 83 90.541 -9.146 -4.631 1.00 0.00 H new ATOM 0 HE ARG C 83 92.906 -10.283 -5.503 1.00 0.00 H new ATOM 0 HH11 ARG C 83 89.489 -10.951 -5.939 1.00 0.00 H new ATOM 0 HH12 ARG C 83 89.694 -11.631 -7.556 1.00 0.00 H new ATOM 0 HH21 ARG C 83 93.158 -11.163 -7.585 1.00 0.00 H new ATOM 0 HH22 ARG C 83 91.752 -11.750 -8.480 1.00 0.00 H new ATOM 1279 N CYS C 84 92.696 -6.603 -0.240 1.00 0.00 N ATOM 1280 CA CYS C 84 93.733 -5.631 0.100 1.00 0.00 C ATOM 1281 C CYS C 84 94.214 -5.841 1.533 1.00 0.00 C ATOM 1282 O CYS C 84 95.370 -5.574 1.861 1.00 0.00 O ATOM 1283 CB CYS C 84 93.198 -4.206 -0.042 1.00 0.00 C ATOM 1284 SG CYS C 84 91.977 -3.887 1.256 1.00 0.00 S ATOM 0 H CYS C 84 91.741 -6.251 -0.168 1.00 0.00 H new ATOM 0 HA CYS C 84 94.567 -5.776 -0.587 1.00 0.00 H new ATOM 0 HB2 CYS C 84 94.017 -3.490 0.030 1.00 0.00 H new ATOM 0 HB3 CYS C 84 92.744 -4.073 -1.024 1.00 0.00 H new ATOM 0 HG CYS C 84 91.507 -5.016 1.697 1.00 0.00 H new ATOM 1290 N MET C 85 93.311 -6.321 2.384 1.00 0.00 N ATOM 1291 CA MET C 85 93.653 -6.562 3.783 1.00 0.00 C ATOM 1292 C MET C 85 94.653 -7.709 3.898 1.00 0.00 C ATOM 1293 O MET C 85 95.562 -7.678 4.727 1.00 0.00 O ATOM 1294 CB MET C 85 92.400 -6.908 4.591 1.00 0.00 C ATOM 1295 CG MET C 85 91.744 -5.620 5.092 1.00 0.00 C ATOM 1296 SD MET C 85 90.013 -5.946 5.508 1.00 0.00 S ATOM 1297 CE MET C 85 89.339 -4.372 4.923 1.00 0.00 C ATOM 0 H MET C 85 92.349 -6.548 2.134 1.00 0.00 H new ATOM 0 HA MET C 85 94.099 -5.650 4.181 1.00 0.00 H new ATOM 0 HB2 MET C 85 91.699 -7.469 3.973 1.00 0.00 H new ATOM 0 HB3 MET C 85 92.663 -7.547 5.434 1.00 0.00 H new ATOM 0 HG2 MET C 85 92.275 -5.246 5.967 1.00 0.00 H new ATOM 0 HG3 MET C 85 91.806 -4.846 4.327 1.00 0.00 H new ATOM 0 HE1 MET C 85 88.257 -4.456 4.818 1.00 0.00 H new ATOM 0 HE2 MET C 85 89.574 -3.586 5.641 1.00 0.00 H new ATOM 0 HE3 MET C 85 89.779 -4.124 3.957 1.00 0.00 H new ATOM 1307 N LYS C 86 94.476 -8.721 3.053 1.00 0.00 N ATOM 1308 CA LYS C 86 95.371 -9.876 3.067 1.00 0.00 C ATOM 1309 C LYS C 86 96.725 -9.508 2.472 1.00 0.00 C ATOM 1310 O LYS C 86 97.751 -10.098 2.812 1.00 0.00 O ATOM 1311 CB LYS C 86 94.772 -11.030 2.260 1.00 0.00 C ATOM 1312 CG LYS C 86 93.684 -11.719 3.085 1.00 0.00 C ATOM 1313 CD LYS C 86 93.183 -12.956 2.338 1.00 0.00 C ATOM 1314 CE LYS C 86 93.933 -14.193 2.836 1.00 0.00 C ATOM 1315 NZ LYS C 86 93.057 -14.964 3.763 1.00 0.00 N ATOM 0 H LYS C 86 93.731 -8.766 2.358 1.00 0.00 H new ATOM 0 HA LYS C 86 95.500 -10.187 4.104 1.00 0.00 H new ATOM 0 HB2 LYS C 86 94.353 -10.656 1.326 1.00 0.00 H new ATOM 0 HB3 LYS C 86 95.551 -11.745 1.996 1.00 0.00 H new ATOM 0 HG2 LYS C 86 94.079 -12.005 4.060 1.00 0.00 H new ATOM 0 HG3 LYS C 86 92.858 -11.030 3.265 1.00 0.00 H new ATOM 0 HD2 LYS C 86 92.112 -13.080 2.496 1.00 0.00 H new ATOM 0 HD3 LYS C 86 93.335 -12.833 1.266 1.00 0.00 H new ATOM 0 HE2 LYS C 86 94.227 -14.817 1.992 1.00 0.00 H new ATOM 0 HE3 LYS C 86 94.849 -13.895 3.347 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 93.566 -15.805 4.102 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 92.798 -14.366 4.573 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 92.195 -15.260 3.261 1.00 0.00 H new ATOM 1392 N ILE I 148 92.985 1.457 5.740 1.00 0.00 N ATOM 1393 CA ILE I 148 91.787 0.644 5.554 1.00 0.00 C ATOM 1394 C ILE I 148 91.466 -0.124 6.832 1.00 0.00 C ATOM 1395 O ILE I 148 91.388 -1.352 6.833 1.00 0.00 O ATOM 1396 CB ILE I 148 91.991 -0.351 4.410 1.00 0.00 C ATOM 1397 CG1 ILE I 148 92.426 0.403 3.149 1.00 0.00 C ATOM 1398 CG2 ILE I 148 90.681 -1.093 4.136 1.00 0.00 C ATOM 1399 CD1 ILE I 148 91.237 1.177 2.575 1.00 0.00 C ATOM 0 HA ILE I 148 90.958 1.309 5.312 1.00 0.00 H new ATOM 0 HB ILE I 148 92.762 -1.070 4.688 1.00 0.00 H new ATOM 0 HG12 ILE I 148 93.239 1.089 3.386 1.00 0.00 H new ATOM 0 HG13 ILE I 148 92.808 -0.299 2.407 1.00 0.00 H new ATOM 0 HG21 ILE I 148 90.828 -1.801 3.321 1.00 0.00 H new ATOM 0 HG22 ILE I 148 90.373 -1.630 5.033 1.00 0.00 H new ATOM 0 HG23 ILE I 148 89.908 -0.376 3.859 1.00 0.00 H new ATOM 0 HD11 ILE I 148 91.550 1.712 1.678 1.00 0.00 H new ATOM 0 HD12 ILE I 148 90.438 0.481 2.322 1.00 0.00 H new ATOM 0 HD13 ILE I 148 90.876 1.890 3.316 1.00 0.00 H new ATOM 1411 N SER I 149 91.281 0.617 7.922 1.00 0.00 N ATOM 1412 CA SER I 149 90.969 -0.001 9.207 1.00 0.00 C ATOM 1413 C SER I 149 89.471 0.074 9.483 1.00 0.00 C ATOM 1414 O SER I 149 88.938 -0.669 10.308 1.00 0.00 O ATOM 1415 CB SER I 149 91.722 0.700 10.337 1.00 0.00 C ATOM 1416 OG SER I 149 92.635 -0.214 10.930 1.00 0.00 O ATOM 0 H SER I 149 91.341 1.635 7.942 1.00 0.00 H new ATOM 0 HA SER I 149 91.278 -1.045 9.162 1.00 0.00 H new ATOM 0 HB2 SER I 149 92.257 1.567 9.950 1.00 0.00 H new ATOM 0 HB3 SER I 149 91.019 1.067 11.085 1.00 0.00 H new ATOM 0 HG SER I 149 93.121 0.233 11.654 1.00 0.00 H new ATOM 1422 N ALA I 150 88.797 0.981 8.780 1.00 0.00 N ATOM 1423 CA ALA I 150 87.356 1.150 8.950 1.00 0.00 C ATOM 1424 C ALA I 150 87.054 2.049 10.148 1.00 0.00 C ATOM 1425 O ALA I 150 85.902 2.406 10.396 1.00 0.00 O ATOM 1426 CB ALA I 150 86.678 -0.205 9.162 1.00 0.00 C ATOM 0 H ALA I 150 89.221 1.605 8.093 1.00 0.00 H new ATOM 0 HA ALA I 150 86.967 1.614 8.044 1.00 0.00 H new ATOM 0 HB1 ALA I 150 85.605 -0.059 9.287 1.00 0.00 H new ATOM 0 HB2 ALA I 150 86.860 -0.842 8.296 1.00 0.00 H new ATOM 0 HB3 ALA I 150 87.086 -0.680 10.054 1.00 0.00 H new ATOM 1432 N ASP I 151 88.099 2.413 10.887 1.00 0.00 N ATOM 1433 CA ASP I 151 87.927 3.274 12.054 1.00 0.00 C ATOM 1434 C ASP I 151 87.904 4.740 11.634 1.00 0.00 C ATOM 1435 O ASP I 151 87.415 5.603 12.364 1.00 0.00 O ATOM 1436 CB ASP I 151 89.066 3.062 13.053 1.00 0.00 C ATOM 1437 CG ASP I 151 90.361 3.623 12.474 1.00 0.00 C ATOM 1438 OD1 ASP I 151 90.810 3.104 11.466 1.00 0.00 O ATOM 1439 OD2 ASP I 151 90.885 4.563 13.048 1.00 0.00 O ATOM 0 H ASP I 151 89.061 2.130 10.702 1.00 0.00 H new ATOM 0 HA ASP I 151 86.979 3.013 12.525 1.00 0.00 H new ATOM 0 HB2 ASP I 151 88.833 3.556 13.997 1.00 0.00 H new ATOM 0 HB3 ASP I 151 89.182 2.000 13.269 1.00 0.00 H new ATOM 1444 N ALA I 152 88.441 5.011 10.448 1.00 0.00 N ATOM 1445 CA ALA I 152 88.482 6.377 9.932 1.00 0.00 C ATOM 1446 C ALA I 152 87.131 6.771 9.341 1.00 0.00 C ATOM 1447 O ALA I 152 86.670 7.900 9.505 1.00 0.00 O ATOM 1448 CB ALA I 152 89.553 6.507 8.848 1.00 0.00 C ATOM 0 H ALA I 152 88.851 4.310 9.830 1.00 0.00 H new ATOM 0 HA ALA I 152 88.720 7.040 10.764 1.00 0.00 H new ATOM 0 HB1 ALA I 152 89.570 7.531 8.474 1.00 0.00 H new ATOM 0 HB2 ALA I 152 90.528 6.257 9.268 1.00 0.00 H new ATOM 0 HB3 ALA I 152 89.326 5.825 8.028 1.00 0.00 H new ATOM 1454 N MET I 153 86.505 5.827 8.645 1.00 0.00 N ATOM 1455 CA MET I 153 85.208 6.083 8.023 1.00 0.00 C ATOM 1456 C MET I 153 84.087 6.043 9.059 1.00 0.00 C ATOM 1457 O MET I 153 82.927 6.308 8.746 1.00 0.00 O ATOM 1458 CB MET I 153 84.921 5.041 6.940 1.00 0.00 C ATOM 1459 CG MET I 153 85.078 3.636 7.526 1.00 0.00 C ATOM 1460 SD MET I 153 84.105 2.464 6.548 1.00 0.00 S ATOM 1461 CE MET I 153 85.018 2.650 4.996 1.00 0.00 C ATOM 0 H MET I 153 86.870 4.886 8.498 1.00 0.00 H new ATOM 0 HA MET I 153 85.246 7.077 7.577 1.00 0.00 H new ATOM 0 HB2 MET I 153 83.911 5.174 6.552 1.00 0.00 H new ATOM 0 HB3 MET I 153 85.605 5.175 6.102 1.00 0.00 H new ATOM 0 HG2 MET I 153 86.128 3.344 7.524 1.00 0.00 H new ATOM 0 HG3 MET I 153 84.746 3.624 8.564 1.00 0.00 H new ATOM 0 HE1 MET I 153 84.778 1.821 4.331 1.00 0.00 H new ATOM 0 HE2 MET I 153 84.739 3.590 4.520 1.00 0.00 H new ATOM 0 HE3 MET I 153 86.088 2.652 5.202 1.00 0.00 H new ATOM 1471 N MET I 154 84.441 5.701 10.294 1.00 0.00 N ATOM 1472 CA MET I 154 83.449 5.621 11.365 1.00 0.00 C ATOM 1473 C MET I 154 82.948 7.010 11.755 1.00 0.00 C ATOM 1474 O MET I 154 81.881 7.151 12.352 1.00 0.00 O ATOM 1475 CB MET I 154 84.052 4.949 12.599 1.00 0.00 C ATOM 1476 CG MET I 154 83.160 3.786 13.036 1.00 0.00 C ATOM 1477 SD MET I 154 82.370 4.192 14.613 1.00 0.00 S ATOM 1478 CE MET I 154 80.664 4.235 14.012 1.00 0.00 C ATOM 0 H MET I 154 85.395 5.477 10.578 1.00 0.00 H new ATOM 0 HA MET I 154 82.611 5.031 10.994 1.00 0.00 H new ATOM 0 HB2 MET I 154 85.055 4.587 12.375 1.00 0.00 H new ATOM 0 HB3 MET I 154 84.148 5.672 13.409 1.00 0.00 H new ATOM 0 HG2 MET I 154 82.402 3.590 12.277 1.00 0.00 H new ATOM 0 HG3 MET I 154 83.753 2.877 13.137 1.00 0.00 H new ATOM 0 HE1 MET I 154 79.993 4.473 14.838 1.00 0.00 H new ATOM 0 HE2 MET I 154 80.570 4.996 13.237 1.00 0.00 H new ATOM 0 HE3 MET I 154 80.399 3.262 13.598 1.00 0.00 H new ATOM 1488 N GLN I 155 83.728 8.034 11.420 1.00 0.00 N ATOM 1489 CA GLN I 155 83.349 9.406 11.753 1.00 0.00 C ATOM 1490 C GLN I 155 82.118 9.840 10.959 1.00 0.00 C ATOM 1491 O GLN I 155 81.112 10.260 11.530 1.00 0.00 O ATOM 1492 CB GLN I 155 84.500 10.368 11.455 1.00 0.00 C ATOM 1493 CG GLN I 155 84.650 11.355 12.615 1.00 0.00 C ATOM 1494 CD GLN I 155 85.785 12.326 12.315 1.00 0.00 C ATOM 1495 OE1 GLN I 155 85.809 12.957 11.258 1.00 0.00 O ATOM 1496 NE2 GLN I 155 86.738 12.487 13.192 1.00 0.00 N ATOM 0 H GLN I 155 84.615 7.944 10.925 1.00 0.00 H new ATOM 0 HA GLN I 155 83.116 9.435 12.817 1.00 0.00 H new ATOM 0 HB2 GLN I 155 85.427 9.812 11.314 1.00 0.00 H new ATOM 0 HB3 GLN I 155 84.308 10.907 10.527 1.00 0.00 H new ATOM 0 HG2 GLN I 155 83.719 11.902 12.763 1.00 0.00 H new ATOM 0 HG3 GLN I 155 84.854 10.816 13.540 1.00 0.00 H new ATOM 0 HE21 GLN I 155 86.719 11.965 14.068 1.00 0.00 H new ATOM 0 HE22 GLN I 155 87.502 13.135 13.002 1.00 0.00 H new ATOM 1505 N ALA I 156 82.207 9.733 9.635 1.00 0.00 N ATOM 1506 CA ALA I 156 81.090 10.118 8.773 1.00 0.00 C ATOM 1507 C ALA I 156 79.990 9.060 8.817 1.00 0.00 C ATOM 1508 O ALA I 156 78.898 9.255 8.283 1.00 0.00 O ATOM 1509 CB ALA I 156 81.562 10.286 7.327 1.00 0.00 C ATOM 0 H ALA I 156 83.029 9.388 9.140 1.00 0.00 H new ATOM 0 HA ALA I 156 80.696 11.066 9.139 1.00 0.00 H new ATOM 0 HB1 ALA I 156 80.718 10.573 6.700 1.00 0.00 H new ATOM 0 HB2 ALA I 156 82.327 11.061 7.282 1.00 0.00 H new ATOM 0 HB3 ALA I 156 81.978 9.344 6.968 1.00 0.00 H new ATOM 1515 N LEU I 157 80.293 7.935 9.458 1.00 0.00 N ATOM 1516 CA LEU I 157 79.331 6.844 9.569 1.00 0.00 C ATOM 1517 C LEU I 157 78.662 6.866 10.939 1.00 0.00 C ATOM 1518 O LEU I 157 77.593 6.288 11.137 1.00 0.00 O ATOM 1519 CB LEU I 157 80.041 5.500 9.385 1.00 0.00 C ATOM 1520 CG LEU I 157 80.231 5.200 7.892 1.00 0.00 C ATOM 1521 CD1 LEU I 157 80.584 6.482 7.129 1.00 0.00 C ATOM 1522 CD2 LEU I 157 81.368 4.189 7.727 1.00 0.00 C ATOM 0 H LEU I 157 81.192 7.756 9.906 1.00 0.00 H new ATOM 0 HA LEU I 157 78.575 6.971 8.794 1.00 0.00 H new ATOM 0 HB2 LEU I 157 81.009 5.521 9.885 1.00 0.00 H new ATOM 0 HB3 LEU I 157 79.458 4.706 9.852 1.00 0.00 H new ATOM 0 HG LEU I 157 79.302 4.794 7.490 1.00 0.00 H new ATOM 0 HD11 LEU I 157 80.715 6.252 6.072 1.00 0.00 H new ATOM 0 HD12 LEU I 157 79.779 7.208 7.245 1.00 0.00 H new ATOM 0 HD13 LEU I 157 81.509 6.899 7.527 1.00 0.00 H new ATOM 0 HD21 LEU I 157 81.510 3.970 6.669 1.00 0.00 H new ATOM 0 HD22 LEU I 157 82.288 4.606 8.138 1.00 0.00 H new ATOM 0 HD23 LEU I 157 81.118 3.270 8.257 1.00 0.00 H new