USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 554 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 SER OG : rot 124:sc= 1.16 USER MOD Set 1.2: A 55 SER OG : rot 34:sc= 1.38 USER MOD Set 2.1: A 53 THR OG1 : rot 180:sc= -0.0138 USER MOD Set 2.2: A 70 THR OG1 : rot -9:sc= 0.616 USER MOD Set 3.1: A 16 LYS NZ :NH3+ -114:sc= 0.665 (180deg=-0.367) USER MOD Set 3.2: A 33 TYR OH : rot 40:sc= 0.0311 USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 12 SER OG : rot -100:sc= 0.0674 USER MOD Single : A 14 ASN : amide:sc= -3.18! C(o=-3.2!,f=-4!) USER MOD Single : A 15 SER OG : rot 41:sc= -3.24 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= -0.924! USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -6:sc= 0.608 USER MOD Single : A 24 ASN : amide:sc= -0.0173 K(o=-0.017,f=-1.7!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 103:sc= 0.232 USER MOD Single : A 35 THR OG1 : rot -15:sc= -0.425 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 32:sc= 0.49 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -31:sc= 0.229 USER MOD Single : A 48 THR OG1 : rot 180:sc= -1.64! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 51:sc= -1.06! USER MOD Single : A 51 THR OG1 : rot -160:sc= -1.38 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.494) USER MOD Single : A 65 SER OG : rot -33:sc= 0.811 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.163 USER MOD Single : A 77 SER OG : rot 120:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -165:sc= -3.37! (180deg=-4.33!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.035 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -3.55 K(o=-3.5,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 110 N GLN A 10 50.523 -2.698 -4.757 1.00 0.00 N ATOM 111 CA GLN A 10 49.340 -2.815 -3.854 1.00 0.00 C ATOM 112 C GLN A 10 49.461 -1.842 -2.680 1.00 0.00 C ATOM 113 O GLN A 10 48.481 -1.291 -2.220 1.00 0.00 O ATOM 114 CB GLN A 10 49.340 -4.255 -3.316 1.00 0.00 C ATOM 115 CG GLN A 10 50.052 -5.207 -4.282 1.00 0.00 C ATOM 116 CD GLN A 10 49.837 -6.651 -3.817 1.00 0.00 C ATOM 117 OE1 GLN A 10 49.480 -6.886 -2.679 1.00 0.00 O ATOM 118 NE2 GLN A 10 50.040 -7.633 -4.651 1.00 0.00 N ATOM 0 HA GLN A 10 48.422 -2.581 -4.394 1.00 0.00 H new ATOM 0 HB2 GLN A 10 49.833 -4.283 -2.344 1.00 0.00 H new ATOM 0 HB3 GLN A 10 48.314 -4.589 -3.163 1.00 0.00 H new ATOM 0 HG2 GLN A 10 49.664 -5.076 -5.292 1.00 0.00 H new ATOM 0 HG3 GLN A 10 51.117 -4.979 -4.317 1.00 0.00 H new ATOM 0 HE21 GLN A 10 50.340 -7.437 -5.606 1.00 0.00 H new ATOM 0 HE22 GLN A 10 49.899 -8.597 -4.348 1.00 0.00 H new ATOM 127 N LEU A 11 50.647 -1.648 -2.168 1.00 0.00 N ATOM 128 CA LEU A 11 50.798 -0.737 -1.002 1.00 0.00 C ATOM 129 C LEU A 11 49.735 -1.094 0.031 1.00 0.00 C ATOM 130 O LEU A 11 48.691 -0.476 0.109 1.00 0.00 O ATOM 131 CB LEU A 11 50.574 0.673 -1.544 1.00 0.00 C ATOM 132 CG LEU A 11 50.859 1.686 -0.436 1.00 0.00 C ATOM 133 CD1 LEU A 11 52.232 1.402 0.177 1.00 0.00 C ATOM 134 CD2 LEU A 11 50.850 3.095 -1.026 1.00 0.00 C ATOM 0 H LEU A 11 51.509 -2.077 -2.504 1.00 0.00 H new ATOM 0 HA LEU A 11 51.775 -0.816 -0.525 1.00 0.00 H new ATOM 0 HB2 LEU A 11 51.227 0.856 -2.398 1.00 0.00 H new ATOM 0 HB3 LEU A 11 49.549 0.781 -1.898 1.00 0.00 H new ATOM 0 HG LEU A 11 50.094 1.606 0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 11 52.434 2.125 0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 11 52.243 0.395 0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 11 52.998 1.483 -0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 11 51.053 3.821 -0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 11 51.617 3.172 -1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 11 49.873 3.299 -1.465 1.00 0.00 H new ATOM 146 N SER A 12 49.985 -2.102 0.813 1.00 0.00 N ATOM 147 CA SER A 12 48.979 -2.521 1.831 1.00 0.00 C ATOM 148 C SER A 12 48.387 -1.296 2.531 1.00 0.00 C ATOM 149 O SER A 12 49.053 -0.300 2.731 1.00 0.00 O ATOM 150 CB SER A 12 49.754 -3.391 2.819 1.00 0.00 C ATOM 151 OG SER A 12 49.600 -2.874 4.134 1.00 0.00 O ATOM 0 H SER A 12 50.841 -2.656 0.794 1.00 0.00 H new ATOM 0 HA SER A 12 48.142 -3.060 1.387 1.00 0.00 H new ATOM 0 HB2 SER A 12 49.391 -4.418 2.777 1.00 0.00 H new ATOM 0 HB3 SER A 12 50.810 -3.414 2.548 1.00 0.00 H new ATOM 0 HG SER A 12 50.394 -2.353 4.376 1.00 0.00 H new ATOM 157 N ALA A 13 47.138 -1.364 2.916 1.00 0.00 N ATOM 158 CA ALA A 13 46.511 -0.205 3.613 1.00 0.00 C ATOM 159 C ALA A 13 47.275 0.093 4.906 1.00 0.00 C ATOM 160 O ALA A 13 47.104 1.130 5.516 1.00 0.00 O ATOM 161 CB ALA A 13 45.079 -0.649 3.921 1.00 0.00 C ATOM 0 H ALA A 13 46.528 -2.170 2.778 1.00 0.00 H new ATOM 0 HA ALA A 13 46.528 0.704 3.011 1.00 0.00 H new ATOM 0 HB1 ALA A 13 44.552 0.154 4.436 1.00 0.00 H new ATOM 0 HB2 ALA A 13 44.563 -0.884 2.990 1.00 0.00 H new ATOM 0 HB3 ALA A 13 45.101 -1.534 4.557 1.00 0.00 H new ATOM 167 N ASN A 14 48.117 -0.813 5.323 1.00 0.00 N ATOM 168 CA ASN A 14 48.898 -0.592 6.574 1.00 0.00 C ATOM 169 C ASN A 14 50.228 0.100 6.253 1.00 0.00 C ATOM 170 O ASN A 14 51.005 0.412 7.135 1.00 0.00 O ATOM 171 CB ASN A 14 49.136 -1.997 7.134 1.00 0.00 C ATOM 172 CG ASN A 14 49.905 -1.906 8.454 1.00 0.00 C ATOM 173 OD1 ASN A 14 50.186 -0.827 8.936 1.00 0.00 O ATOM 174 ND2 ASN A 14 50.257 -3.005 9.065 1.00 0.00 N ATOM 0 H ASN A 14 48.298 -1.699 4.850 1.00 0.00 H new ATOM 0 HA ASN A 14 48.377 0.049 7.286 1.00 0.00 H new ATOM 0 HB2 ASN A 14 48.183 -2.502 7.292 1.00 0.00 H new ATOM 0 HB3 ASN A 14 49.698 -2.594 6.416 1.00 0.00 H new ATOM 0 HD21 ASN A 14 50.768 -2.957 9.947 1.00 0.00 H new ATOM 0 HD22 ASN A 14 50.021 -3.911 8.661 1.00 0.00 H new ATOM 181 N SER A 15 50.497 0.349 4.999 1.00 0.00 N ATOM 182 CA SER A 15 51.776 1.027 4.631 1.00 0.00 C ATOM 183 C SER A 15 51.564 2.543 4.577 1.00 0.00 C ATOM 184 O SER A 15 50.646 3.070 5.173 1.00 0.00 O ATOM 185 CB SER A 15 52.135 0.492 3.242 1.00 0.00 C ATOM 186 OG SER A 15 53.305 1.150 2.777 1.00 0.00 O ATOM 0 H SER A 15 49.889 0.113 4.215 1.00 0.00 H new ATOM 0 HA SER A 15 52.567 0.833 5.355 1.00 0.00 H new ATOM 0 HB2 SER A 15 52.301 -0.584 3.285 1.00 0.00 H new ATOM 0 HB3 SER A 15 51.310 0.659 2.550 1.00 0.00 H new ATOM 0 HG SER A 15 53.943 1.243 3.515 1.00 0.00 H new ATOM 192 N LYS A 16 52.400 3.245 3.861 1.00 0.00 N ATOM 193 CA LYS A 16 52.234 4.724 3.763 1.00 0.00 C ATOM 194 C LYS A 16 52.487 5.187 2.330 1.00 0.00 C ATOM 195 O LYS A 16 53.123 4.507 1.550 1.00 0.00 O ATOM 196 CB LYS A 16 53.277 5.318 4.709 1.00 0.00 C ATOM 197 CG LYS A 16 52.615 6.402 5.560 1.00 0.00 C ATOM 198 CD LYS A 16 53.613 7.526 5.842 1.00 0.00 C ATOM 199 CE LYS A 16 52.857 8.742 6.382 1.00 0.00 C ATOM 200 NZ LYS A 16 53.907 9.656 6.908 1.00 0.00 N ATOM 0 H LYS A 16 53.189 2.860 3.341 1.00 0.00 H new ATOM 0 HA LYS A 16 51.225 5.039 4.030 1.00 0.00 H new ATOM 0 HB2 LYS A 16 53.693 4.539 5.348 1.00 0.00 H new ATOM 0 HB3 LYS A 16 54.105 5.739 4.140 1.00 0.00 H new ATOM 0 HG2 LYS A 16 51.742 6.800 5.042 1.00 0.00 H new ATOM 0 HG3 LYS A 16 52.261 5.974 6.498 1.00 0.00 H new ATOM 0 HD2 LYS A 16 54.358 7.195 6.565 1.00 0.00 H new ATOM 0 HD3 LYS A 16 54.149 7.791 4.931 1.00 0.00 H new ATOM 0 HE2 LYS A 16 52.274 9.223 5.597 1.00 0.00 H new ATOM 0 HE3 LYS A 16 52.158 8.454 7.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 53.811 9.737 7.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 54.847 9.275 6.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 53.798 10.595 6.475 1.00 0.00 H new ATOM 214 N CYS A 17 51.993 6.340 1.976 1.00 0.00 N ATOM 215 CA CYS A 17 52.202 6.840 0.591 1.00 0.00 C ATOM 216 C CYS A 17 52.269 8.366 0.571 1.00 0.00 C ATOM 217 O CYS A 17 51.313 9.043 0.890 1.00 0.00 O ATOM 218 CB CYS A 17 50.982 6.365 -0.184 1.00 0.00 C ATOM 219 SG CYS A 17 51.028 7.073 -1.846 1.00 0.00 S ATOM 0 H CYS A 17 51.455 6.956 2.585 1.00 0.00 H new ATOM 0 HA CYS A 17 53.137 6.475 0.166 1.00 0.00 H new ATOM 0 HB2 CYS A 17 50.971 5.276 -0.239 1.00 0.00 H new ATOM 0 HB3 CYS A 17 50.069 6.667 0.329 1.00 0.00 H new ATOM 0 HG CYS A 17 49.990 6.671 -2.518 1.00 0.00 H new ATOM 224 N GLU A 18 53.388 8.908 0.187 1.00 0.00 N ATOM 225 CA GLU A 18 53.521 10.388 0.130 1.00 0.00 C ATOM 226 C GLU A 18 54.468 10.766 -1.009 1.00 0.00 C ATOM 227 O GLU A 18 55.590 11.174 -0.787 1.00 0.00 O ATOM 228 CB GLU A 18 54.110 10.784 1.484 1.00 0.00 C ATOM 229 CG GLU A 18 53.040 11.494 2.314 1.00 0.00 C ATOM 230 CD GLU A 18 53.538 11.664 3.749 1.00 0.00 C ATOM 231 OE1 GLU A 18 53.443 10.712 4.506 1.00 0.00 O ATOM 232 OE2 GLU A 18 54.007 12.744 4.068 1.00 0.00 O ATOM 0 H GLU A 18 54.220 8.388 -0.091 1.00 0.00 H new ATOM 0 HA GLU A 18 52.574 10.894 -0.055 1.00 0.00 H new ATOM 0 HB2 GLU A 18 54.467 9.899 2.011 1.00 0.00 H new ATOM 0 HB3 GLU A 18 54.970 11.439 1.342 1.00 0.00 H new ATOM 0 HG2 GLU A 18 52.813 12.467 1.879 1.00 0.00 H new ATOM 0 HG3 GLU A 18 52.115 10.917 2.305 1.00 0.00 H new ATOM 239 N LYS A 19 54.030 10.612 -2.231 1.00 0.00 N ATOM 240 CA LYS A 19 54.918 10.940 -3.382 1.00 0.00 C ATOM 241 C LYS A 19 56.148 10.029 -3.338 1.00 0.00 C ATOM 242 O LYS A 19 56.913 10.054 -2.395 1.00 0.00 O ATOM 243 CB LYS A 19 55.314 12.403 -3.175 1.00 0.00 C ATOM 244 CG LYS A 19 55.095 13.184 -4.473 1.00 0.00 C ATOM 245 CD LYS A 19 56.243 14.176 -4.672 1.00 0.00 C ATOM 246 CE LYS A 19 55.883 15.165 -5.782 1.00 0.00 C ATOM 247 NZ LYS A 19 57.144 15.351 -6.554 1.00 0.00 N ATOM 0 H LYS A 19 53.100 10.275 -2.480 1.00 0.00 H new ATOM 0 HA LYS A 19 54.437 10.794 -4.349 1.00 0.00 H new ATOM 0 HB2 LYS A 19 54.721 12.840 -2.371 1.00 0.00 H new ATOM 0 HB3 LYS A 19 56.359 12.468 -2.872 1.00 0.00 H new ATOM 0 HG2 LYS A 19 55.043 12.498 -5.318 1.00 0.00 H new ATOM 0 HG3 LYS A 19 54.144 13.715 -4.434 1.00 0.00 H new ATOM 0 HD2 LYS A 19 56.438 14.712 -3.743 1.00 0.00 H new ATOM 0 HD3 LYS A 19 57.157 13.642 -4.930 1.00 0.00 H new ATOM 0 HE2 LYS A 19 55.086 14.775 -6.415 1.00 0.00 H new ATOM 0 HE3 LYS A 19 55.529 16.110 -5.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 56.978 16.018 -7.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 57.882 15.729 -5.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 57.453 14.436 -6.940 1.00 0.00 H new ATOM 261 N SER A 20 56.334 9.206 -4.335 1.00 0.00 N ATOM 262 CA SER A 20 57.505 8.280 -4.319 1.00 0.00 C ATOM 263 C SER A 20 57.851 7.820 -5.737 1.00 0.00 C ATOM 264 O SER A 20 57.138 8.096 -6.681 1.00 0.00 O ATOM 265 CB SER A 20 57.047 7.094 -3.472 1.00 0.00 C ATOM 266 OG SER A 20 55.914 7.475 -2.700 1.00 0.00 O ATOM 0 H SER A 20 55.731 9.134 -5.155 1.00 0.00 H new ATOM 0 HA SER A 20 58.400 8.756 -3.920 1.00 0.00 H new ATOM 0 HB2 SER A 20 56.796 6.250 -4.114 1.00 0.00 H new ATOM 0 HB3 SER A 20 57.854 6.767 -2.817 1.00 0.00 H new ATOM 0 HG SER A 20 55.618 6.715 -2.157 1.00 0.00 H new ATOM 272 N THR A 21 58.938 7.108 -5.895 1.00 0.00 N ATOM 273 CA THR A 21 59.316 6.625 -7.253 1.00 0.00 C ATOM 274 C THR A 21 59.370 5.099 -7.261 1.00 0.00 C ATOM 275 O THR A 21 60.128 4.495 -7.994 1.00 0.00 O ATOM 276 CB THR A 21 60.704 7.211 -7.527 1.00 0.00 C ATOM 277 OG1 THR A 21 60.715 8.585 -7.169 1.00 0.00 O ATOM 278 CG2 THR A 21 61.032 7.066 -9.014 1.00 0.00 C ATOM 0 H THR A 21 59.576 6.842 -5.145 1.00 0.00 H new ATOM 0 HA THR A 21 58.597 6.931 -8.013 1.00 0.00 H new ATOM 0 HB THR A 21 61.449 6.677 -6.938 1.00 0.00 H new ATOM 0 HG1 THR A 21 61.603 8.961 -7.342 1.00 0.00 H new ATOM 0 HG21 THR A 21 62.020 7.483 -9.211 1.00 0.00 H new ATOM 0 HG22 THR A 21 61.022 6.011 -9.288 1.00 0.00 H new ATOM 0 HG23 THR A 21 60.288 7.601 -9.605 1.00 0.00 H new ATOM 286 N LEU A 22 58.569 4.472 -6.446 1.00 0.00 N ATOM 287 CA LEU A 22 58.570 2.984 -6.399 1.00 0.00 C ATOM 288 C LEU A 22 58.181 2.418 -7.766 1.00 0.00 C ATOM 289 O LEU A 22 57.937 3.147 -8.706 1.00 0.00 O ATOM 290 CB LEU A 22 57.514 2.611 -5.355 1.00 0.00 C ATOM 291 CG LEU A 22 57.736 3.400 -4.061 1.00 0.00 C ATOM 292 CD1 LEU A 22 56.950 2.736 -2.929 1.00 0.00 C ATOM 293 CD2 LEU A 22 59.224 3.414 -3.695 1.00 0.00 C ATOM 0 H LEU A 22 57.913 4.926 -5.810 1.00 0.00 H new ATOM 0 HA LEU A 22 59.552 2.583 -6.146 1.00 0.00 H new ATOM 0 HB2 LEU A 22 56.518 2.817 -5.747 1.00 0.00 H new ATOM 0 HB3 LEU A 22 57.560 1.542 -5.148 1.00 0.00 H new ATOM 0 HG LEU A 22 57.395 4.425 -4.207 1.00 0.00 H new ATOM 0 HD11 LEU A 22 57.103 3.292 -2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 22 55.889 2.731 -3.177 1.00 0.00 H new ATOM 0 HD13 LEU A 22 57.297 1.711 -2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 22 59.367 3.978 -2.773 1.00 0.00 H new ATOM 0 HD22 LEU A 22 59.573 2.391 -3.552 1.00 0.00 H new ATOM 0 HD23 LEU A 22 59.792 3.882 -4.499 1.00 0.00 H new ATOM 305 N THR A 23 58.114 1.123 -7.876 1.00 0.00 N ATOM 306 CA THR A 23 57.732 0.502 -9.178 1.00 0.00 C ATOM 307 C THR A 23 57.396 -0.971 -8.961 1.00 0.00 C ATOM 308 O THR A 23 58.205 -1.731 -8.469 1.00 0.00 O ATOM 309 CB THR A 23 58.963 0.647 -10.072 1.00 0.00 C ATOM 310 OG1 THR A 23 59.157 2.019 -10.385 1.00 0.00 O ATOM 311 CG2 THR A 23 58.756 -0.149 -11.362 1.00 0.00 C ATOM 0 H THR A 23 58.307 0.464 -7.121 1.00 0.00 H new ATOM 0 HA THR A 23 56.857 0.974 -9.625 1.00 0.00 H new ATOM 0 HB THR A 23 59.840 0.265 -9.550 1.00 0.00 H new ATOM 0 HG1 THR A 23 58.403 2.543 -10.042 1.00 0.00 H new ATOM 0 HG21 THR A 23 59.635 -0.045 -11.999 1.00 0.00 H new ATOM 0 HG22 THR A 23 58.606 -1.201 -11.120 1.00 0.00 H new ATOM 0 HG23 THR A 23 57.880 0.231 -11.887 1.00 0.00 H new ATOM 319 N ASN A 24 56.209 -1.385 -9.314 1.00 0.00 N ATOM 320 CA ASN A 24 55.846 -2.813 -9.109 1.00 0.00 C ATOM 321 C ASN A 24 56.238 -3.229 -7.692 1.00 0.00 C ATOM 322 O ASN A 24 56.852 -4.256 -7.481 1.00 0.00 O ATOM 323 CB ASN A 24 56.673 -3.578 -10.141 1.00 0.00 C ATOM 324 CG ASN A 24 55.983 -3.513 -11.504 1.00 0.00 C ATOM 325 OD1 ASN A 24 55.284 -2.563 -11.798 1.00 0.00 O ATOM 326 ND2 ASN A 24 56.152 -4.490 -12.353 1.00 0.00 N ATOM 0 H ASN A 24 55.483 -0.802 -9.731 1.00 0.00 H new ATOM 0 HA ASN A 24 54.779 -3.004 -9.226 1.00 0.00 H new ATOM 0 HB2 ASN A 24 57.674 -3.151 -10.208 1.00 0.00 H new ATOM 0 HB3 ASN A 24 56.790 -4.616 -9.831 1.00 0.00 H new ATOM 0 HD21 ASN A 24 55.697 -4.457 -13.265 1.00 0.00 H new ATOM 0 HD22 ASN A 24 56.739 -5.286 -12.104 1.00 0.00 H new ATOM 333 N CYS A 25 55.905 -2.425 -6.720 1.00 0.00 N ATOM 334 CA CYS A 25 56.278 -2.761 -5.320 1.00 0.00 C ATOM 335 C CYS A 25 55.205 -3.631 -4.652 1.00 0.00 C ATOM 336 O CYS A 25 54.503 -4.389 -5.290 1.00 0.00 O ATOM 337 CB CYS A 25 56.390 -1.413 -4.599 1.00 0.00 C ATOM 338 SG CYS A 25 57.695 -1.507 -3.347 1.00 0.00 S ATOM 0 H CYS A 25 55.391 -1.551 -6.836 1.00 0.00 H new ATOM 0 HA CYS A 25 57.206 -3.331 -5.282 1.00 0.00 H new ATOM 0 HB2 CYS A 25 56.614 -0.623 -5.315 1.00 0.00 H new ATOM 0 HB3 CYS A 25 55.439 -1.158 -4.131 1.00 0.00 H new ATOM 343 N TYR A 26 55.094 -3.514 -3.361 1.00 0.00 N ATOM 344 CA TYR A 26 54.101 -4.298 -2.577 1.00 0.00 C ATOM 345 C TYR A 26 54.376 -3.992 -1.110 1.00 0.00 C ATOM 346 O TYR A 26 54.394 -4.854 -0.254 1.00 0.00 O ATOM 347 CB TYR A 26 54.373 -5.768 -2.909 1.00 0.00 C ATOM 348 CG TYR A 26 53.629 -6.664 -1.942 1.00 0.00 C ATOM 349 CD1 TYR A 26 52.493 -6.191 -1.270 1.00 0.00 C ATOM 350 CD2 TYR A 26 54.081 -7.970 -1.715 1.00 0.00 C ATOM 351 CE1 TYR A 26 51.814 -7.023 -0.371 1.00 0.00 C ATOM 352 CE2 TYR A 26 53.399 -8.802 -0.816 1.00 0.00 C ATOM 353 CZ TYR A 26 52.267 -8.328 -0.144 1.00 0.00 C ATOM 354 OH TYR A 26 51.600 -9.145 0.745 1.00 0.00 O ATOM 0 H TYR A 26 55.669 -2.887 -2.798 1.00 0.00 H new ATOM 0 HA TYR A 26 53.060 -4.062 -2.800 1.00 0.00 H new ATOM 0 HB2 TYR A 26 54.060 -5.982 -3.931 1.00 0.00 H new ATOM 0 HB3 TYR A 26 55.443 -5.970 -2.855 1.00 0.00 H new ATOM 0 HD1 TYR A 26 52.142 -5.185 -1.446 1.00 0.00 H new ATOM 0 HD2 TYR A 26 54.955 -8.336 -2.233 1.00 0.00 H new ATOM 0 HE1 TYR A 26 50.940 -6.657 0.148 1.00 0.00 H new ATOM 0 HE2 TYR A 26 53.748 -9.809 -0.642 1.00 0.00 H new ATOM 0 HH TYR A 26 52.044 -10.018 0.784 1.00 0.00 H new ATOM 364 N VAL A 27 54.632 -2.745 -0.842 1.00 0.00 N ATOM 365 CA VAL A 27 54.956 -2.306 0.536 1.00 0.00 C ATOM 366 C VAL A 27 53.923 -2.809 1.548 1.00 0.00 C ATOM 367 O VAL A 27 52.760 -2.977 1.241 1.00 0.00 O ATOM 368 CB VAL A 27 54.939 -0.783 0.462 1.00 0.00 C ATOM 369 CG1 VAL A 27 55.423 -0.217 1.797 1.00 0.00 C ATOM 370 CG2 VAL A 27 55.863 -0.317 -0.676 1.00 0.00 C ATOM 0 H VAL A 27 54.630 -1.998 -1.536 1.00 0.00 H new ATOM 0 HA VAL A 27 55.914 -2.702 0.872 1.00 0.00 H new ATOM 0 HB VAL A 27 53.928 -0.428 0.264 1.00 0.00 H new ATOM 0 HG11 VAL A 27 55.415 0.872 1.755 1.00 0.00 H new ATOM 0 HG12 VAL A 27 54.763 -0.554 2.596 1.00 0.00 H new ATOM 0 HG13 VAL A 27 56.437 -0.565 1.993 1.00 0.00 H new ATOM 0 HG21 VAL A 27 55.852 0.772 -0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 27 56.879 -0.661 -0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 27 55.513 -0.731 -1.622 1.00 0.00 H new ATOM 380 N ASP A 28 54.356 -3.042 2.757 1.00 0.00 N ATOM 381 CA ASP A 28 53.432 -3.527 3.823 1.00 0.00 C ATOM 382 C ASP A 28 54.016 -3.175 5.194 1.00 0.00 C ATOM 383 O ASP A 28 55.174 -3.422 5.462 1.00 0.00 O ATOM 384 CB ASP A 28 53.370 -5.044 3.640 1.00 0.00 C ATOM 385 CG ASP A 28 51.980 -5.445 3.143 1.00 0.00 C ATOM 386 OD1 ASP A 28 51.729 -5.297 1.959 1.00 0.00 O ATOM 387 OD2 ASP A 28 51.188 -5.891 3.958 1.00 0.00 O ATOM 0 H ASP A 28 55.323 -2.915 3.056 1.00 0.00 H new ATOM 0 HA ASP A 28 52.442 -3.076 3.760 1.00 0.00 H new ATOM 0 HB2 ASP A 28 54.129 -5.366 2.927 1.00 0.00 H new ATOM 0 HB3 ASP A 28 53.588 -5.543 4.584 1.00 0.00 H new ATOM 392 N LYS A 29 53.232 -2.597 6.061 1.00 0.00 N ATOM 393 CA LYS A 29 53.759 -2.230 7.408 1.00 0.00 C ATOM 394 C LYS A 29 54.993 -1.340 7.266 1.00 0.00 C ATOM 395 O LYS A 29 55.787 -1.213 8.179 1.00 0.00 O ATOM 396 CB LYS A 29 54.144 -3.556 8.060 1.00 0.00 C ATOM 397 CG LYS A 29 52.891 -4.396 8.306 1.00 0.00 C ATOM 398 CD LYS A 29 53.287 -5.869 8.431 1.00 0.00 C ATOM 399 CE LYS A 29 53.477 -6.224 9.908 1.00 0.00 C ATOM 400 NZ LYS A 29 54.782 -6.942 9.966 1.00 0.00 N ATOM 0 H LYS A 29 52.253 -2.363 5.897 1.00 0.00 H new ATOM 0 HA LYS A 29 53.027 -1.679 7.997 1.00 0.00 H new ATOM 0 HB2 LYS A 29 54.837 -4.100 7.418 1.00 0.00 H new ATOM 0 HB3 LYS A 29 54.660 -3.372 9.002 1.00 0.00 H new ATOM 0 HG2 LYS A 29 52.389 -4.064 9.215 1.00 0.00 H new ATOM 0 HG3 LYS A 29 52.185 -4.266 7.486 1.00 0.00 H new ATOM 0 HD2 LYS A 29 52.517 -6.502 7.990 1.00 0.00 H new ATOM 0 HD3 LYS A 29 54.208 -6.057 7.880 1.00 0.00 H new ATOM 0 HE2 LYS A 29 53.490 -5.329 10.531 1.00 0.00 H new ATOM 0 HE3 LYS A 29 52.664 -6.853 10.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 54.983 -7.218 10.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 54.737 -7.793 9.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 55.538 -6.317 9.621 1.00 0.00 H new ATOM 414 N SER A 30 55.174 -0.728 6.130 1.00 0.00 N ATOM 415 CA SER A 30 56.369 0.139 5.939 1.00 0.00 C ATOM 416 C SER A 30 55.948 1.562 5.566 1.00 0.00 C ATOM 417 O SER A 30 54.775 1.877 5.496 1.00 0.00 O ATOM 418 CB SER A 30 57.139 -0.511 4.793 1.00 0.00 C ATOM 419 OG SER A 30 57.579 -1.801 5.198 1.00 0.00 O ATOM 0 H SER A 30 54.548 -0.790 5.327 1.00 0.00 H new ATOM 0 HA SER A 30 56.969 0.221 6.845 1.00 0.00 H new ATOM 0 HB2 SER A 30 56.503 -0.591 3.911 1.00 0.00 H new ATOM 0 HB3 SER A 30 57.993 0.107 4.516 1.00 0.00 H new ATOM 0 HG SER A 30 57.003 -2.484 4.796 1.00 0.00 H new ATOM 425 N GLU A 31 56.898 2.426 5.331 1.00 0.00 N ATOM 426 CA GLU A 31 56.553 3.834 4.968 1.00 0.00 C ATOM 427 C GLU A 31 57.036 4.154 3.550 1.00 0.00 C ATOM 428 O GLU A 31 56.251 4.280 2.630 1.00 0.00 O ATOM 429 CB GLU A 31 57.287 4.700 5.993 1.00 0.00 C ATOM 430 CG GLU A 31 56.307 5.701 6.609 1.00 0.00 C ATOM 431 CD GLU A 31 56.968 6.401 7.799 1.00 0.00 C ATOM 432 OE1 GLU A 31 57.880 7.178 7.574 1.00 0.00 O ATOM 433 OE2 GLU A 31 56.549 6.149 8.918 1.00 0.00 O ATOM 0 H GLU A 31 57.896 2.220 5.374 1.00 0.00 H new ATOM 0 HA GLU A 31 55.477 4.009 4.981 1.00 0.00 H new ATOM 0 HB2 GLU A 31 57.720 4.072 6.772 1.00 0.00 H new ATOM 0 HB3 GLU A 31 58.111 5.229 5.515 1.00 0.00 H new ATOM 0 HG2 GLU A 31 56.006 6.436 5.863 1.00 0.00 H new ATOM 0 HG3 GLU A 31 55.402 5.187 6.933 1.00 0.00 H new ATOM 440 N VAL A 32 58.323 4.286 3.374 1.00 0.00 N ATOM 441 CA VAL A 32 58.873 4.600 2.020 1.00 0.00 C ATOM 442 C VAL A 32 58.440 6.001 1.584 1.00 0.00 C ATOM 443 O VAL A 32 57.323 6.416 1.818 1.00 0.00 O ATOM 444 CB VAL A 32 58.280 3.539 1.088 1.00 0.00 C ATOM 445 CG1 VAL A 32 59.073 3.506 -0.221 1.00 0.00 C ATOM 446 CG2 VAL A 32 58.363 2.166 1.761 1.00 0.00 C ATOM 0 H VAL A 32 59.021 4.190 4.111 1.00 0.00 H new ATOM 0 HA VAL A 32 59.963 4.586 2.007 1.00 0.00 H new ATOM 0 HB VAL A 32 57.239 3.784 0.879 1.00 0.00 H new ATOM 0 HG11 VAL A 32 58.650 2.751 -0.884 1.00 0.00 H new ATOM 0 HG12 VAL A 32 59.020 4.482 -0.703 1.00 0.00 H new ATOM 0 HG13 VAL A 32 60.114 3.262 -0.010 1.00 0.00 H new ATOM 0 HG21 VAL A 32 57.941 1.410 1.099 1.00 0.00 H new ATOM 0 HG22 VAL A 32 59.406 1.925 1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 32 57.801 2.184 2.695 1.00 0.00 H new ATOM 456 N TYR A 33 59.316 6.735 0.952 1.00 0.00 N ATOM 457 CA TYR A 33 58.948 8.108 0.506 1.00 0.00 C ATOM 458 C TYR A 33 59.551 8.407 -0.866 1.00 0.00 C ATOM 459 O TYR A 33 58.852 8.484 -1.854 1.00 0.00 O ATOM 460 CB TYR A 33 59.527 9.038 1.571 1.00 0.00 C ATOM 461 CG TYR A 33 58.625 9.014 2.780 1.00 0.00 C ATOM 462 CD1 TYR A 33 58.696 7.947 3.682 1.00 0.00 C ATOM 463 CD2 TYR A 33 57.708 10.049 2.992 1.00 0.00 C ATOM 464 CE1 TYR A 33 57.853 7.917 4.798 1.00 0.00 C ATOM 465 CE2 TYR A 33 56.863 10.019 4.107 1.00 0.00 C ATOM 466 CZ TYR A 33 56.935 8.952 5.011 1.00 0.00 C ATOM 467 OH TYR A 33 56.102 8.919 6.111 1.00 0.00 O ATOM 0 H TYR A 33 60.267 6.444 0.726 1.00 0.00 H new ATOM 0 HA TYR A 33 57.870 8.232 0.402 1.00 0.00 H new ATOM 0 HB2 TYR A 33 60.533 8.719 1.844 1.00 0.00 H new ATOM 0 HB3 TYR A 33 59.609 10.053 1.182 1.00 0.00 H new ATOM 0 HD1 TYR A 33 59.402 7.146 3.517 1.00 0.00 H new ATOM 0 HD2 TYR A 33 57.652 10.872 2.295 1.00 0.00 H new ATOM 0 HE1 TYR A 33 57.911 7.095 5.496 1.00 0.00 H new ATOM 0 HE2 TYR A 33 56.156 10.819 4.270 1.00 0.00 H new ATOM 0 HH TYR A 33 56.600 8.592 6.889 1.00 0.00 H new ATOM 477 N GLY A 34 60.841 8.576 -0.939 1.00 0.00 N ATOM 478 CA GLY A 34 61.477 8.869 -2.255 1.00 0.00 C ATOM 479 C GLY A 34 62.206 7.621 -2.752 1.00 0.00 C ATOM 480 O GLY A 34 63.111 7.697 -3.560 1.00 0.00 O ATOM 0 H GLY A 34 61.482 8.524 -0.147 1.00 0.00 H new ATOM 0 HA2 GLY A 34 60.720 9.174 -2.978 1.00 0.00 H new ATOM 0 HA3 GLY A 34 62.177 9.699 -2.157 1.00 0.00 H new ATOM 484 N THR A 35 61.823 6.474 -2.268 1.00 0.00 N ATOM 485 CA THR A 35 62.497 5.214 -2.700 1.00 0.00 C ATOM 486 C THR A 35 62.150 4.867 -4.150 1.00 0.00 C ATOM 487 O THR A 35 61.166 5.325 -4.698 1.00 0.00 O ATOM 488 CB THR A 35 61.962 4.135 -1.761 1.00 0.00 C ATOM 489 OG1 THR A 35 62.307 4.456 -0.422 1.00 0.00 O ATOM 490 CG2 THR A 35 62.575 2.792 -2.143 1.00 0.00 C ATOM 0 H THR A 35 61.071 6.352 -1.590 1.00 0.00 H new ATOM 0 HA THR A 35 63.582 5.308 -2.655 1.00 0.00 H new ATOM 0 HB THR A 35 60.877 4.078 -1.846 1.00 0.00 H new ATOM 0 HG1 THR A 35 63.000 5.149 -0.420 1.00 0.00 H new ATOM 0 HG21 THR A 35 62.197 2.017 -1.476 1.00 0.00 H new ATOM 0 HG22 THR A 35 62.307 2.549 -3.171 1.00 0.00 H new ATOM 0 HG23 THR A 35 63.660 2.849 -2.055 1.00 0.00 H new ATOM 498 N THR A 36 62.956 4.047 -4.769 1.00 0.00 N ATOM 499 CA THR A 36 62.688 3.647 -6.181 1.00 0.00 C ATOM 500 C THR A 36 62.412 2.140 -6.249 1.00 0.00 C ATOM 501 O THR A 36 62.990 1.424 -7.042 1.00 0.00 O ATOM 502 CB THR A 36 63.968 4.009 -6.938 1.00 0.00 C ATOM 503 OG1 THR A 36 64.329 5.349 -6.635 1.00 0.00 O ATOM 504 CG2 THR A 36 63.738 3.874 -8.442 1.00 0.00 C ATOM 0 H THR A 36 63.792 3.635 -4.356 1.00 0.00 H new ATOM 0 HA THR A 36 61.817 4.145 -6.606 1.00 0.00 H new ATOM 0 HB THR A 36 64.768 3.334 -6.636 1.00 0.00 H new ATOM 0 HG1 THR A 36 65.149 5.584 -7.117 1.00 0.00 H new ATOM 0 HG21 THR A 36 64.653 4.133 -8.975 1.00 0.00 H new ATOM 0 HG22 THR A 36 63.460 2.847 -8.677 1.00 0.00 H new ATOM 0 HG23 THR A 36 62.937 4.546 -8.749 1.00 0.00 H new ATOM 512 N CYS A 37 61.530 1.658 -5.413 1.00 0.00 N ATOM 513 CA CYS A 37 61.203 0.200 -5.406 1.00 0.00 C ATOM 514 C CYS A 37 61.149 -0.361 -6.829 1.00 0.00 C ATOM 515 O CYS A 37 60.194 -0.147 -7.548 1.00 0.00 O ATOM 516 CB CYS A 37 59.818 0.115 -4.759 1.00 0.00 C ATOM 517 SG CYS A 37 59.405 -1.613 -4.417 1.00 0.00 S ATOM 0 H CYS A 37 61.018 2.216 -4.729 1.00 0.00 H new ATOM 0 HA CYS A 37 61.956 -0.378 -4.871 1.00 0.00 H new ATOM 0 HB2 CYS A 37 59.803 0.692 -3.834 1.00 0.00 H new ATOM 0 HB3 CYS A 37 59.070 0.553 -5.420 1.00 0.00 H new ATOM 522 N THR A 38 62.151 -1.096 -7.236 1.00 0.00 N ATOM 523 CA THR A 38 62.126 -1.682 -8.608 1.00 0.00 C ATOM 524 C THR A 38 61.671 -3.143 -8.541 1.00 0.00 C ATOM 525 O THR A 38 62.468 -4.048 -8.406 1.00 0.00 O ATOM 526 CB THR A 38 63.564 -1.594 -9.125 1.00 0.00 C ATOM 527 OG1 THR A 38 64.002 -0.241 -9.076 1.00 0.00 O ATOM 528 CG2 THR A 38 63.616 -2.105 -10.568 1.00 0.00 C ATOM 0 H THR A 38 62.979 -1.314 -6.682 1.00 0.00 H new ATOM 0 HA THR A 38 61.434 -1.154 -9.264 1.00 0.00 H new ATOM 0 HB THR A 38 64.217 -2.206 -8.502 1.00 0.00 H new ATOM 0 HG1 THR A 38 63.570 0.216 -8.324 1.00 0.00 H new ATOM 0 HG21 THR A 38 64.639 -2.044 -10.939 1.00 0.00 H new ATOM 0 HG22 THR A 38 63.280 -3.142 -10.599 1.00 0.00 H new ATOM 0 HG23 THR A 38 62.966 -1.494 -11.194 1.00 0.00 H new ATOM 536 N GLY A 39 60.390 -3.373 -8.636 1.00 0.00 N ATOM 537 CA GLY A 39 59.872 -4.769 -8.578 1.00 0.00 C ATOM 538 C GLY A 39 60.216 -5.398 -7.224 1.00 0.00 C ATOM 539 O GLY A 39 60.541 -6.565 -7.138 1.00 0.00 O ATOM 0 H GLY A 39 59.678 -2.652 -8.752 1.00 0.00 H new ATOM 0 HA2 GLY A 39 58.792 -4.772 -8.726 1.00 0.00 H new ATOM 0 HA3 GLY A 39 60.306 -5.361 -9.384 1.00 0.00 H new ATOM 543 N SER A 40 60.140 -4.637 -6.164 1.00 0.00 N ATOM 544 CA SER A 40 60.457 -5.199 -4.815 1.00 0.00 C ATOM 545 C SER A 40 59.345 -4.842 -3.822 1.00 0.00 C ATOM 546 O SER A 40 58.204 -4.683 -4.198 1.00 0.00 O ATOM 547 CB SER A 40 61.773 -4.541 -4.406 1.00 0.00 C ATOM 548 OG SER A 40 62.501 -4.182 -5.572 1.00 0.00 O ATOM 0 H SER A 40 59.873 -3.653 -6.172 1.00 0.00 H new ATOM 0 HA SER A 40 60.536 -6.286 -4.829 1.00 0.00 H new ATOM 0 HB2 SER A 40 61.578 -3.657 -3.799 1.00 0.00 H new ATOM 0 HB3 SER A 40 62.360 -5.225 -3.793 1.00 0.00 H new ATOM 0 HG SER A 40 63.346 -3.758 -5.313 1.00 0.00 H new ATOM 554 N ARG A 41 59.670 -4.711 -2.562 1.00 0.00 N ATOM 555 CA ARG A 41 58.627 -4.359 -1.547 1.00 0.00 C ATOM 556 C ARG A 41 59.237 -4.320 -0.141 1.00 0.00 C ATOM 557 O ARG A 41 60.421 -4.516 0.039 1.00 0.00 O ATOM 558 CB ARG A 41 57.585 -5.479 -1.621 1.00 0.00 C ATOM 559 CG ARG A 41 58.169 -6.758 -1.018 1.00 0.00 C ATOM 560 CD ARG A 41 57.185 -7.914 -1.219 1.00 0.00 C ATOM 561 NE ARG A 41 57.999 -9.150 -1.054 1.00 0.00 N ATOM 562 CZ ARG A 41 57.430 -10.257 -0.663 1.00 0.00 C ATOM 563 NH1 ARG A 41 56.798 -11.005 -1.526 1.00 0.00 N ATOM 564 NH2 ARG A 41 57.492 -10.616 0.590 1.00 0.00 N ATOM 0 H ARG A 41 60.612 -4.832 -2.190 1.00 0.00 H new ATOM 0 HA ARG A 41 58.195 -3.378 -1.746 1.00 0.00 H new ATOM 0 HB2 ARG A 41 56.684 -5.188 -1.081 1.00 0.00 H new ATOM 0 HB3 ARG A 41 57.294 -5.652 -2.657 1.00 0.00 H new ATOM 0 HG2 ARG A 41 59.123 -6.992 -1.490 1.00 0.00 H new ATOM 0 HG3 ARG A 41 58.366 -6.615 0.044 1.00 0.00 H new ATOM 0 HD2 ARG A 41 56.376 -7.874 -0.489 1.00 0.00 H new ATOM 0 HD3 ARG A 41 56.726 -7.873 -2.207 1.00 0.00 H new ATOM 0 HE ARG A 41 59.000 -9.131 -1.246 1.00 0.00 H new ATOM 0 HH11 ARG A 41 56.749 -10.724 -2.505 1.00 0.00 H new ATOM 0 HH12 ARG A 41 56.353 -11.871 -1.221 1.00 0.00 H new ATOM 0 HH21 ARG A 41 57.985 -10.031 1.264 1.00 0.00 H new ATOM 0 HH22 ARG A 41 57.047 -11.482 0.895 1.00 0.00 H new ATOM 578 N PHE A 42 58.426 -4.090 0.857 1.00 0.00 N ATOM 579 CA PHE A 42 58.940 -4.066 2.259 1.00 0.00 C ATOM 580 C PHE A 42 58.017 -4.898 3.150 1.00 0.00 C ATOM 581 O PHE A 42 57.148 -5.602 2.675 1.00 0.00 O ATOM 582 CB PHE A 42 58.902 -2.601 2.699 1.00 0.00 C ATOM 583 CG PHE A 42 59.561 -1.733 1.660 1.00 0.00 C ATOM 584 CD1 PHE A 42 58.860 -1.389 0.503 1.00 0.00 C ATOM 585 CD2 PHE A 42 60.864 -1.261 1.855 1.00 0.00 C ATOM 586 CE1 PHE A 42 59.458 -0.575 -0.463 1.00 0.00 C ATOM 587 CE2 PHE A 42 61.466 -0.449 0.888 1.00 0.00 C ATOM 588 CZ PHE A 42 60.760 -0.106 -0.270 1.00 0.00 C ATOM 0 H PHE A 42 57.425 -3.917 0.762 1.00 0.00 H new ATOM 0 HA PHE A 42 59.947 -4.477 2.330 1.00 0.00 H new ATOM 0 HB2 PHE A 42 57.870 -2.284 2.848 1.00 0.00 H new ATOM 0 HB3 PHE A 42 59.411 -2.487 3.656 1.00 0.00 H new ATOM 0 HD1 PHE A 42 57.854 -1.752 0.354 1.00 0.00 H new ATOM 0 HD2 PHE A 42 61.405 -1.524 2.752 1.00 0.00 H new ATOM 0 HE1 PHE A 42 58.914 -0.309 -1.357 1.00 0.00 H new ATOM 0 HE2 PHE A 42 62.473 -0.088 1.035 1.00 0.00 H new ATOM 0 HZ PHE A 42 61.222 0.523 -1.017 1.00 0.00 H new ATOM 598 N ASP A 43 58.193 -4.815 4.437 1.00 0.00 N ATOM 599 CA ASP A 43 57.320 -5.590 5.363 1.00 0.00 C ATOM 600 C ASP A 43 57.593 -5.169 6.806 1.00 0.00 C ATOM 601 O ASP A 43 57.818 -5.990 7.673 1.00 0.00 O ATOM 602 CB ASP A 43 57.697 -7.056 5.143 1.00 0.00 C ATOM 603 CG ASP A 43 56.428 -7.911 5.085 1.00 0.00 C ATOM 604 OD1 ASP A 43 55.433 -7.427 4.568 1.00 0.00 O ATOM 605 OD2 ASP A 43 56.473 -9.032 5.559 1.00 0.00 O ATOM 0 H ASP A 43 58.905 -4.243 4.890 1.00 0.00 H new ATOM 0 HA ASP A 43 56.260 -5.419 5.175 1.00 0.00 H new ATOM 0 HB2 ASP A 43 58.261 -7.162 4.216 1.00 0.00 H new ATOM 0 HB3 ASP A 43 58.343 -7.401 5.950 1.00 0.00 H new ATOM 610 N GLY A 44 57.572 -3.892 7.067 1.00 0.00 N ATOM 611 CA GLY A 44 57.827 -3.414 8.452 1.00 0.00 C ATOM 612 C GLY A 44 59.110 -2.583 8.489 1.00 0.00 C ATOM 613 O GLY A 44 60.037 -2.893 9.212 1.00 0.00 O ATOM 0 H GLY A 44 57.389 -3.160 6.381 1.00 0.00 H new ATOM 0 HA2 GLY A 44 56.985 -2.815 8.800 1.00 0.00 H new ATOM 0 HA3 GLY A 44 57.914 -4.264 9.129 1.00 0.00 H new ATOM 617 N VAL A 45 59.179 -1.528 7.722 1.00 0.00 N ATOM 618 CA VAL A 45 60.415 -0.691 7.735 1.00 0.00 C ATOM 619 C VAL A 45 60.061 0.797 7.707 1.00 0.00 C ATOM 620 O VAL A 45 58.965 1.197 8.050 1.00 0.00 O ATOM 621 CB VAL A 45 61.197 -1.082 6.473 1.00 0.00 C ATOM 622 CG1 VAL A 45 61.139 -2.596 6.273 1.00 0.00 C ATOM 623 CG2 VAL A 45 60.597 -0.383 5.248 1.00 0.00 C ATOM 0 H VAL A 45 58.441 -1.211 7.093 1.00 0.00 H new ATOM 0 HA VAL A 45 61.001 -0.858 8.639 1.00 0.00 H new ATOM 0 HB VAL A 45 62.235 -0.772 6.593 1.00 0.00 H new ATOM 0 HG11 VAL A 45 61.696 -2.866 5.376 1.00 0.00 H new ATOM 0 HG12 VAL A 45 61.579 -3.094 7.137 1.00 0.00 H new ATOM 0 HG13 VAL A 45 60.101 -2.909 6.163 1.00 0.00 H new ATOM 0 HG21 VAL A 45 61.158 -0.666 4.357 1.00 0.00 H new ATOM 0 HG22 VAL A 45 59.555 -0.683 5.132 1.00 0.00 H new ATOM 0 HG23 VAL A 45 60.651 0.697 5.383 1.00 0.00 H new ATOM 633 N THR A 46 60.990 1.619 7.306 1.00 0.00 N ATOM 634 CA THR A 46 60.729 3.083 7.256 1.00 0.00 C ATOM 635 C THR A 46 61.761 3.763 6.355 1.00 0.00 C ATOM 636 O THR A 46 62.398 4.726 6.737 1.00 0.00 O ATOM 637 CB THR A 46 60.884 3.555 8.700 1.00 0.00 C ATOM 638 OG1 THR A 46 59.975 2.849 9.532 1.00 0.00 O ATOM 639 CG2 THR A 46 60.600 5.056 8.783 1.00 0.00 C ATOM 0 H THR A 46 61.924 1.337 7.009 1.00 0.00 H new ATOM 0 HA THR A 46 59.745 3.321 6.853 1.00 0.00 H new ATOM 0 HB THR A 46 61.903 3.363 9.036 1.00 0.00 H new ATOM 0 HG1 THR A 46 59.169 2.627 9.021 1.00 0.00 H new ATOM 0 HG21 THR A 46 60.711 5.391 9.814 1.00 0.00 H new ATOM 0 HG22 THR A 46 61.304 5.595 8.149 1.00 0.00 H new ATOM 0 HG23 THR A 46 59.583 5.253 8.445 1.00 0.00 H new ATOM 647 N ILE A 47 61.936 3.263 5.165 1.00 0.00 N ATOM 648 CA ILE A 47 62.934 3.870 4.236 1.00 0.00 C ATOM 649 C ILE A 47 62.349 5.116 3.562 1.00 0.00 C ATOM 650 O ILE A 47 61.156 5.343 3.582 1.00 0.00 O ATOM 651 CB ILE A 47 63.218 2.781 3.202 1.00 0.00 C ATOM 652 CG1 ILE A 47 64.056 3.367 2.066 1.00 0.00 C ATOM 653 CG2 ILE A 47 61.899 2.249 2.637 1.00 0.00 C ATOM 654 CD1 ILE A 47 64.667 2.231 1.245 1.00 0.00 C ATOM 0 H ILE A 47 61.431 2.459 4.793 1.00 0.00 H new ATOM 0 HA ILE A 47 63.839 4.190 4.753 1.00 0.00 H new ATOM 0 HB ILE A 47 63.763 1.965 3.677 1.00 0.00 H new ATOM 0 HG12 ILE A 47 63.435 3.997 1.429 1.00 0.00 H new ATOM 0 HG13 ILE A 47 64.844 4.002 2.471 1.00 0.00 H new ATOM 0 HG21 ILE A 47 62.106 1.473 1.900 1.00 0.00 H new ATOM 0 HG22 ILE A 47 61.299 1.831 3.445 1.00 0.00 H new ATOM 0 HG23 ILE A 47 61.352 3.063 2.162 1.00 0.00 H new ATOM 0 HD11 ILE A 47 65.265 2.648 0.435 1.00 0.00 H new ATOM 0 HD12 ILE A 47 65.302 1.619 1.886 1.00 0.00 H new ATOM 0 HD13 ILE A 47 63.871 1.614 0.828 1.00 0.00 H new ATOM 666 N THR A 48 63.186 5.928 2.971 1.00 0.00 N ATOM 667 CA THR A 48 62.682 7.166 2.304 1.00 0.00 C ATOM 668 C THR A 48 63.367 7.355 0.941 1.00 0.00 C ATOM 669 O THR A 48 63.263 6.519 0.070 1.00 0.00 O ATOM 670 CB THR A 48 63.047 8.297 3.268 1.00 0.00 C ATOM 671 OG1 THR A 48 64.442 8.263 3.537 1.00 0.00 O ATOM 672 CG2 THR A 48 62.269 8.125 4.574 1.00 0.00 C ATOM 0 H THR A 48 64.195 5.788 2.921 1.00 0.00 H new ATOM 0 HA THR A 48 61.611 7.131 2.105 1.00 0.00 H new ATOM 0 HB THR A 48 62.790 9.255 2.816 1.00 0.00 H new ATOM 0 HG1 THR A 48 64.674 8.989 4.153 1.00 0.00 H new ATOM 0 HG21 THR A 48 62.529 8.930 5.261 1.00 0.00 H new ATOM 0 HG22 THR A 48 61.199 8.155 4.367 1.00 0.00 H new ATOM 0 HG23 THR A 48 62.524 7.166 5.026 1.00 0.00 H new ATOM 680 N THR A 49 64.065 8.445 0.741 1.00 0.00 N ATOM 681 CA THR A 49 64.741 8.659 -0.571 1.00 0.00 C ATOM 682 C THR A 49 65.913 7.689 -0.723 1.00 0.00 C ATOM 683 O THR A 49 67.060 8.080 -0.678 1.00 0.00 O ATOM 684 CB THR A 49 65.255 10.099 -0.529 1.00 0.00 C ATOM 685 OG1 THR A 49 64.161 10.990 -0.355 1.00 0.00 O ATOM 686 CG2 THR A 49 65.973 10.416 -1.840 1.00 0.00 C ATOM 0 H THR A 49 64.194 9.190 1.426 1.00 0.00 H new ATOM 0 HA THR A 49 64.066 8.489 -1.410 1.00 0.00 H new ATOM 0 HB THR A 49 65.949 10.216 0.304 1.00 0.00 H new ATOM 0 HG1 THR A 49 64.491 11.912 -0.326 1.00 0.00 H new ATOM 0 HG21 THR A 49 66.341 11.442 -1.814 1.00 0.00 H new ATOM 0 HG22 THR A 49 66.812 9.732 -1.970 1.00 0.00 H new ATOM 0 HG23 THR A 49 65.279 10.300 -2.672 1.00 0.00 H new ATOM 694 N SER A 50 65.637 6.426 -0.898 1.00 0.00 N ATOM 695 CA SER A 50 66.742 5.438 -1.042 1.00 0.00 C ATOM 696 C SER A 50 66.593 4.653 -2.346 1.00 0.00 C ATOM 697 O SER A 50 65.497 4.356 -2.781 1.00 0.00 O ATOM 698 CB SER A 50 66.587 4.507 0.159 1.00 0.00 C ATOM 699 OG SER A 50 67.015 3.201 -0.202 1.00 0.00 O ATOM 0 H SER A 50 64.696 6.036 -0.947 1.00 0.00 H new ATOM 0 HA SER A 50 67.721 5.916 -1.074 1.00 0.00 H new ATOM 0 HB2 SER A 50 67.176 4.876 0.999 1.00 0.00 H new ATOM 0 HB3 SER A 50 65.547 4.484 0.485 1.00 0.00 H new ATOM 0 HG SER A 50 67.904 3.250 -0.611 1.00 0.00 H new ATOM 705 N THR A 51 67.686 4.313 -2.973 1.00 0.00 N ATOM 706 CA THR A 51 67.603 3.547 -4.248 1.00 0.00 C ATOM 707 C THR A 51 67.976 2.083 -4.001 1.00 0.00 C ATOM 708 O THR A 51 69.025 1.780 -3.476 1.00 0.00 O ATOM 709 CB THR A 51 68.622 4.212 -5.179 1.00 0.00 C ATOM 710 OG1 THR A 51 69.142 5.384 -4.561 1.00 0.00 O ATOM 711 CG2 THR A 51 67.942 4.590 -6.497 1.00 0.00 C ATOM 0 H THR A 51 68.631 4.532 -2.658 1.00 0.00 H new ATOM 0 HA THR A 51 66.600 3.555 -4.674 1.00 0.00 H new ATOM 0 HB THR A 51 69.437 3.515 -5.377 1.00 0.00 H new ATOM 0 HG1 THR A 51 69.532 5.969 -5.244 1.00 0.00 H new ATOM 0 HG21 THR A 51 68.668 5.063 -7.158 1.00 0.00 H new ATOM 0 HG22 THR A 51 67.548 3.692 -6.974 1.00 0.00 H new ATOM 0 HG23 THR A 51 67.125 5.284 -6.299 1.00 0.00 H new ATOM 719 N SER A 52 67.123 1.170 -4.373 1.00 0.00 N ATOM 720 CA SER A 52 67.435 -0.272 -4.152 1.00 0.00 C ATOM 721 C SER A 52 67.063 -1.087 -5.392 1.00 0.00 C ATOM 722 O SER A 52 66.009 -0.904 -5.968 1.00 0.00 O ATOM 723 CB SER A 52 66.570 -0.686 -2.961 1.00 0.00 C ATOM 724 OG SER A 52 65.461 -1.446 -3.426 1.00 0.00 O ATOM 0 H SER A 52 66.225 1.358 -4.819 1.00 0.00 H new ATOM 0 HA SER A 52 68.495 -0.442 -3.965 1.00 0.00 H new ATOM 0 HB2 SER A 52 67.158 -1.274 -2.257 1.00 0.00 H new ATOM 0 HB3 SER A 52 66.221 0.197 -2.426 1.00 0.00 H new ATOM 0 HG SER A 52 65.450 -2.317 -2.977 1.00 0.00 H new ATOM 730 N THR A 53 67.906 -1.995 -5.807 1.00 0.00 N ATOM 731 CA THR A 53 67.562 -2.813 -7.005 1.00 0.00 C ATOM 732 C THR A 53 67.321 -4.261 -6.583 1.00 0.00 C ATOM 733 O THR A 53 68.230 -5.069 -6.545 1.00 0.00 O ATOM 734 CB THR A 53 68.769 -2.711 -7.936 1.00 0.00 C ATOM 735 OG1 THR A 53 69.624 -1.667 -7.490 1.00 0.00 O ATOM 736 CG2 THR A 53 68.283 -2.409 -9.356 1.00 0.00 C ATOM 0 H THR A 53 68.806 -2.204 -5.375 1.00 0.00 H new ATOM 0 HA THR A 53 66.655 -2.464 -7.499 1.00 0.00 H new ATOM 0 HB THR A 53 69.319 -3.652 -7.931 1.00 0.00 H new ATOM 0 HG1 THR A 53 70.399 -1.602 -8.086 1.00 0.00 H new ATOM 0 HG21 THR A 53 69.140 -2.335 -10.026 1.00 0.00 H new ATOM 0 HG22 THR A 53 67.626 -3.211 -9.694 1.00 0.00 H new ATOM 0 HG23 THR A 53 67.736 -1.466 -9.361 1.00 0.00 H new ATOM 744 N GLY A 54 66.104 -4.589 -6.250 1.00 0.00 N ATOM 745 CA GLY A 54 65.805 -5.978 -5.809 1.00 0.00 C ATOM 746 C GLY A 54 66.328 -6.164 -4.387 1.00 0.00 C ATOM 747 O GLY A 54 67.477 -6.502 -4.176 1.00 0.00 O ATOM 0 H GLY A 54 65.305 -3.955 -6.264 1.00 0.00 H new ATOM 0 HA2 GLY A 54 64.731 -6.162 -5.844 1.00 0.00 H new ATOM 0 HA3 GLY A 54 66.274 -6.697 -6.481 1.00 0.00 H new ATOM 751 N SER A 55 65.501 -5.930 -3.407 1.00 0.00 N ATOM 752 CA SER A 55 65.959 -6.081 -1.999 1.00 0.00 C ATOM 753 C SER A 55 64.764 -6.119 -1.048 1.00 0.00 C ATOM 754 O SER A 55 63.894 -5.272 -1.095 1.00 0.00 O ATOM 755 CB SER A 55 66.805 -4.837 -1.730 1.00 0.00 C ATOM 756 OG SER A 55 66.028 -3.677 -1.998 1.00 0.00 O ATOM 0 H SER A 55 64.529 -5.641 -3.520 1.00 0.00 H new ATOM 0 HA SER A 55 66.516 -7.005 -1.846 1.00 0.00 H new ATOM 0 HB2 SER A 55 67.145 -4.831 -0.694 1.00 0.00 H new ATOM 0 HB3 SER A 55 67.696 -4.846 -2.358 1.00 0.00 H new ATOM 0 HG SER A 55 65.092 -3.850 -1.767 1.00 0.00 H new ATOM 762 N ARG A 56 64.717 -7.086 -0.174 1.00 0.00 N ATOM 763 CA ARG A 56 63.584 -7.156 0.787 1.00 0.00 C ATOM 764 C ARG A 56 63.977 -6.443 2.077 1.00 0.00 C ATOM 765 O ARG A 56 64.774 -6.937 2.852 1.00 0.00 O ATOM 766 CB ARG A 56 63.356 -8.645 1.042 1.00 0.00 C ATOM 767 CG ARG A 56 62.035 -8.834 1.796 1.00 0.00 C ATOM 768 CD ARG A 56 61.288 -10.043 1.228 1.00 0.00 C ATOM 769 NE ARG A 56 62.165 -11.209 1.524 1.00 0.00 N ATOM 770 CZ ARG A 56 61.960 -11.922 2.597 1.00 0.00 C ATOM 771 NH1 ARG A 56 62.447 -11.532 3.742 1.00 0.00 N ATOM 772 NH2 ARG A 56 61.260 -13.022 2.526 1.00 0.00 N ATOM 0 H ARG A 56 65.412 -7.827 -0.085 1.00 0.00 H new ATOM 0 HA ARG A 56 62.681 -6.678 0.407 1.00 0.00 H new ATOM 0 HB2 ARG A 56 63.329 -9.187 0.097 1.00 0.00 H new ATOM 0 HB3 ARG A 56 64.181 -9.057 1.623 1.00 0.00 H new ATOM 0 HG2 ARG A 56 62.229 -8.980 2.859 1.00 0.00 H new ATOM 0 HG3 ARG A 56 61.421 -7.938 1.704 1.00 0.00 H new ATOM 0 HD2 ARG A 56 60.309 -10.157 1.693 1.00 0.00 H new ATOM 0 HD3 ARG A 56 61.121 -9.936 0.156 1.00 0.00 H new ATOM 0 HE ARG A 56 62.925 -11.450 0.888 1.00 0.00 H new ATOM 0 HH11 ARG A 56 62.988 -10.669 3.799 1.00 0.00 H new ATOM 0 HH12 ARG A 56 62.287 -12.090 4.581 1.00 0.00 H new ATOM 0 HH21 ARG A 56 60.874 -13.324 1.632 1.00 0.00 H new ATOM 0 HH22 ARG A 56 61.100 -13.580 3.365 1.00 0.00 H new ATOM 786 N ILE A 57 63.434 -5.284 2.309 1.00 0.00 N ATOM 787 CA ILE A 57 63.787 -4.533 3.545 1.00 0.00 C ATOM 788 C ILE A 57 62.979 -5.054 4.736 1.00 0.00 C ATOM 789 O ILE A 57 62.924 -4.424 5.775 1.00 0.00 O ATOM 790 CB ILE A 57 63.419 -3.084 3.240 1.00 0.00 C ATOM 791 CG1 ILE A 57 63.998 -2.674 1.879 1.00 0.00 C ATOM 792 CG2 ILE A 57 63.984 -2.175 4.333 1.00 0.00 C ATOM 793 CD1 ILE A 57 65.436 -3.189 1.740 1.00 0.00 C ATOM 0 H ILE A 57 62.761 -4.823 1.697 1.00 0.00 H new ATOM 0 HA ILE A 57 64.839 -4.643 3.808 1.00 0.00 H new ATOM 0 HB ILE A 57 62.334 -2.987 3.210 1.00 0.00 H new ATOM 0 HG12 ILE A 57 63.380 -3.077 1.076 1.00 0.00 H new ATOM 0 HG13 ILE A 57 63.981 -1.589 1.780 1.00 0.00 H new ATOM 0 HG21 ILE A 57 63.722 -1.139 4.116 1.00 0.00 H new ATOM 0 HG22 ILE A 57 63.564 -2.461 5.297 1.00 0.00 H new ATOM 0 HG23 ILE A 57 65.069 -2.276 4.365 1.00 0.00 H new ATOM 0 HD11 ILE A 57 65.837 -2.892 0.771 1.00 0.00 H new ATOM 0 HD12 ILE A 57 66.053 -2.765 2.533 1.00 0.00 H new ATOM 0 HD13 ILE A 57 65.442 -4.276 1.818 1.00 0.00 H new ATOM 805 N SER A 58 62.354 -6.196 4.590 1.00 0.00 N ATOM 806 CA SER A 58 61.547 -6.771 5.709 1.00 0.00 C ATOM 807 C SER A 58 62.186 -6.445 7.065 1.00 0.00 C ATOM 808 O SER A 58 63.391 -6.356 7.187 1.00 0.00 O ATOM 809 CB SER A 58 61.567 -8.276 5.463 1.00 0.00 C ATOM 810 OG SER A 58 60.344 -8.669 4.850 1.00 0.00 O ATOM 0 H SER A 58 62.369 -6.757 3.739 1.00 0.00 H new ATOM 0 HA SER A 58 60.536 -6.365 5.736 1.00 0.00 H new ATOM 0 HB2 SER A 58 62.409 -8.540 4.823 1.00 0.00 H new ATOM 0 HB3 SER A 58 61.703 -8.808 6.405 1.00 0.00 H new ATOM 0 HG SER A 58 60.355 -9.636 4.689 1.00 0.00 H new ATOM 816 N GLY A 59 61.388 -6.259 8.082 1.00 0.00 N ATOM 817 CA GLY A 59 61.957 -5.932 9.420 1.00 0.00 C ATOM 818 C GLY A 59 60.828 -5.592 10.390 1.00 0.00 C ATOM 819 O GLY A 59 59.777 -5.137 9.985 1.00 0.00 O ATOM 0 H GLY A 59 60.370 -6.319 8.044 1.00 0.00 H new ATOM 0 HA2 GLY A 59 62.532 -6.777 9.798 1.00 0.00 H new ATOM 0 HA3 GLY A 59 62.645 -5.090 9.338 1.00 0.00 H new ATOM 823 N PRO A 60 61.091 -5.810 11.649 1.00 0.00 N ATOM 824 CA PRO A 60 60.094 -5.507 12.694 1.00 0.00 C ATOM 825 C PRO A 60 60.182 -4.023 13.078 1.00 0.00 C ATOM 826 O PRO A 60 60.027 -3.658 14.226 1.00 0.00 O ATOM 827 CB PRO A 60 60.524 -6.394 13.857 1.00 0.00 C ATOM 828 CG PRO A 60 61.994 -6.633 13.661 1.00 0.00 C ATOM 829 CD PRO A 60 62.326 -6.358 12.211 1.00 0.00 C ATOM 0 HA PRO A 60 59.065 -5.689 12.385 1.00 0.00 H new ATOM 0 HB2 PRO A 60 60.330 -5.908 14.813 1.00 0.00 H new ATOM 0 HB3 PRO A 60 59.971 -7.333 13.859 1.00 0.00 H new ATOM 0 HG2 PRO A 60 62.576 -5.983 14.314 1.00 0.00 H new ATOM 0 HG3 PRO A 60 62.251 -7.660 13.922 1.00 0.00 H new ATOM 0 HD2 PRO A 60 63.151 -5.651 12.120 1.00 0.00 H new ATOM 0 HD3 PRO A 60 62.628 -7.269 11.693 1.00 0.00 H new ATOM 837 N GLY A 61 60.442 -3.170 12.121 1.00 0.00 N ATOM 838 CA GLY A 61 60.555 -1.714 12.415 1.00 0.00 C ATOM 839 C GLY A 61 61.841 -1.169 11.783 1.00 0.00 C ATOM 840 O GLY A 61 62.462 -0.267 12.306 1.00 0.00 O ATOM 0 H GLY A 61 60.581 -3.423 11.143 1.00 0.00 H new ATOM 0 HA2 GLY A 61 59.689 -1.183 12.020 1.00 0.00 H new ATOM 0 HA3 GLY A 61 60.567 -1.548 13.492 1.00 0.00 H new ATOM 844 N CYS A 62 62.244 -1.711 10.662 1.00 0.00 N ATOM 845 CA CYS A 62 63.490 -1.221 10.000 1.00 0.00 C ATOM 846 C CYS A 62 63.456 0.309 9.879 1.00 0.00 C ATOM 847 O CYS A 62 62.430 0.936 10.057 1.00 0.00 O ATOM 848 CB CYS A 62 63.485 -1.881 8.611 1.00 0.00 C ATOM 849 SG CYS A 62 64.565 -0.965 7.475 1.00 0.00 S ATOM 0 H CYS A 62 61.765 -2.470 10.178 1.00 0.00 H new ATOM 0 HA CYS A 62 64.389 -1.471 10.563 1.00 0.00 H new ATOM 0 HB2 CYS A 62 63.822 -2.914 8.691 1.00 0.00 H new ATOM 0 HB3 CYS A 62 62.469 -1.907 8.217 1.00 0.00 H new ATOM 854 N LYS A 63 64.575 0.909 9.568 1.00 0.00 N ATOM 855 CA LYS A 63 64.627 2.392 9.420 1.00 0.00 C ATOM 856 C LYS A 63 65.686 2.766 8.382 1.00 0.00 C ATOM 857 O LYS A 63 66.868 2.683 8.646 1.00 0.00 O ATOM 858 CB LYS A 63 65.034 2.908 10.801 1.00 0.00 C ATOM 859 CG LYS A 63 65.440 4.383 10.711 1.00 0.00 C ATOM 860 CD LYS A 63 66.340 4.733 11.898 1.00 0.00 C ATOM 861 CE LYS A 63 67.077 6.047 11.618 1.00 0.00 C ATOM 862 NZ LYS A 63 66.009 7.081 11.492 1.00 0.00 N ATOM 0 H LYS A 63 65.462 0.430 9.409 1.00 0.00 H new ATOM 0 HA LYS A 63 63.679 2.815 9.088 1.00 0.00 H new ATOM 0 HB2 LYS A 63 64.206 2.792 11.500 1.00 0.00 H new ATOM 0 HB3 LYS A 63 65.864 2.317 11.189 1.00 0.00 H new ATOM 0 HG2 LYS A 63 65.965 4.571 9.774 1.00 0.00 H new ATOM 0 HG3 LYS A 63 64.553 5.017 10.713 1.00 0.00 H new ATOM 0 HD2 LYS A 63 65.742 4.826 12.805 1.00 0.00 H new ATOM 0 HD3 LYS A 63 67.058 3.932 12.071 1.00 0.00 H new ATOM 0 HE2 LYS A 63 67.766 6.291 12.426 1.00 0.00 H new ATOM 0 HE3 LYS A 63 67.668 5.979 10.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 66.417 8.023 11.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 65.599 7.042 10.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 65.265 6.899 12.196 1.00 0.00 H new ATOM 876 N ILE A 64 65.288 3.177 7.206 1.00 0.00 N ATOM 877 CA ILE A 64 66.310 3.543 6.185 1.00 0.00 C ATOM 878 C ILE A 64 66.133 4.992 5.725 1.00 0.00 C ATOM 879 O ILE A 64 65.076 5.578 5.851 1.00 0.00 O ATOM 880 CB ILE A 64 66.096 2.584 5.008 1.00 0.00 C ATOM 881 CG1 ILE A 64 65.759 1.175 5.528 1.00 0.00 C ATOM 882 CG2 ILE A 64 67.376 2.540 4.162 1.00 0.00 C ATOM 883 CD1 ILE A 64 66.014 0.139 4.428 1.00 0.00 C ATOM 0 H ILE A 64 64.316 3.274 6.913 1.00 0.00 H new ATOM 0 HA ILE A 64 67.317 3.462 6.595 1.00 0.00 H new ATOM 0 HB ILE A 64 65.264 2.935 4.397 1.00 0.00 H new ATOM 0 HG12 ILE A 64 66.367 0.946 6.403 1.00 0.00 H new ATOM 0 HG13 ILE A 64 64.717 1.134 5.844 1.00 0.00 H new ATOM 0 HG21 ILE A 64 67.234 1.860 3.322 1.00 0.00 H new ATOM 0 HG22 ILE A 64 67.599 3.539 3.787 1.00 0.00 H new ATOM 0 HG23 ILE A 64 68.206 2.190 4.776 1.00 0.00 H new ATOM 0 HD11 ILE A 64 65.774 -0.856 4.803 1.00 0.00 H new ATOM 0 HD12 ILE A 64 65.387 0.363 3.565 1.00 0.00 H new ATOM 0 HD13 ILE A 64 67.063 0.172 4.133 1.00 0.00 H new ATOM 895 N SER A 65 67.175 5.569 5.186 1.00 0.00 N ATOM 896 CA SER A 65 67.099 6.977 4.704 1.00 0.00 C ATOM 897 C SER A 65 68.275 7.259 3.762 1.00 0.00 C ATOM 898 O SER A 65 69.406 7.391 4.185 1.00 0.00 O ATOM 899 CB SER A 65 67.189 7.836 5.967 1.00 0.00 C ATOM 900 OG SER A 65 68.536 8.237 6.175 1.00 0.00 O ATOM 0 H SER A 65 68.082 5.120 5.059 1.00 0.00 H new ATOM 0 HA SER A 65 66.185 7.185 4.147 1.00 0.00 H new ATOM 0 HB2 SER A 65 66.549 8.713 5.869 1.00 0.00 H new ATOM 0 HB3 SER A 65 66.829 7.273 6.828 1.00 0.00 H new ATOM 0 HG SER A 65 69.140 7.534 5.856 1.00 0.00 H new ATOM 906 N THR A 66 68.017 7.334 2.484 1.00 0.00 N ATOM 907 CA THR A 66 69.118 7.586 1.511 1.00 0.00 C ATOM 908 C THR A 66 70.071 6.392 1.471 1.00 0.00 C ATOM 909 O THR A 66 71.143 6.420 2.037 1.00 0.00 O ATOM 910 CB THR A 66 69.847 8.830 2.018 1.00 0.00 C ATOM 911 OG1 THR A 66 68.903 9.757 2.543 1.00 0.00 O ATOM 912 CG2 THR A 66 70.605 9.468 0.854 1.00 0.00 C ATOM 0 H THR A 66 67.090 7.231 2.072 1.00 0.00 H new ATOM 0 HA THR A 66 68.736 7.730 0.500 1.00 0.00 H new ATOM 0 HB THR A 66 70.548 8.553 2.806 1.00 0.00 H new ATOM 0 HG1 THR A 66 69.373 10.553 2.869 1.00 0.00 H new ATOM 0 HG21 THR A 66 71.129 10.357 1.205 1.00 0.00 H new ATOM 0 HG22 THR A 66 71.327 8.755 0.455 1.00 0.00 H new ATOM 0 HG23 THR A 66 69.900 9.748 0.071 1.00 0.00 H new ATOM 920 N CYS A 67 69.688 5.348 0.793 1.00 0.00 N ATOM 921 CA CYS A 67 70.569 4.147 0.704 1.00 0.00 C ATOM 922 C CYS A 67 70.508 3.569 -0.713 1.00 0.00 C ATOM 923 O CYS A 67 69.454 3.204 -1.194 1.00 0.00 O ATOM 924 CB CYS A 67 69.989 3.142 1.703 1.00 0.00 C ATOM 925 SG CYS A 67 70.050 3.829 3.371 1.00 0.00 S ATOM 0 H CYS A 67 68.801 5.272 0.295 1.00 0.00 H new ATOM 0 HA CYS A 67 71.610 4.383 0.924 1.00 0.00 H new ATOM 0 HB2 CYS A 67 68.959 2.903 1.436 1.00 0.00 H new ATOM 0 HB3 CYS A 67 70.553 2.210 1.663 1.00 0.00 H new ATOM 930 N ILE A 68 71.622 3.470 -1.385 1.00 0.00 N ATOM 931 CA ILE A 68 71.593 2.901 -2.761 1.00 0.00 C ATOM 932 C ILE A 68 71.879 1.398 -2.694 1.00 0.00 C ATOM 933 O ILE A 68 72.995 0.952 -2.862 1.00 0.00 O ATOM 934 CB ILE A 68 72.679 3.635 -3.547 1.00 0.00 C ATOM 935 CG1 ILE A 68 72.239 5.081 -3.802 1.00 0.00 C ATOM 936 CG2 ILE A 68 72.881 2.935 -4.888 1.00 0.00 C ATOM 937 CD1 ILE A 68 72.151 5.837 -2.476 1.00 0.00 C ATOM 0 H ILE A 68 72.541 3.755 -1.046 1.00 0.00 H new ATOM 0 HA ILE A 68 70.623 3.027 -3.241 1.00 0.00 H new ATOM 0 HB ILE A 68 73.608 3.630 -2.977 1.00 0.00 H new ATOM 0 HG12 ILE A 68 72.948 5.575 -4.466 1.00 0.00 H new ATOM 0 HG13 ILE A 68 71.271 5.093 -4.303 1.00 0.00 H new ATOM 0 HG21 ILE A 68 73.654 3.452 -5.456 1.00 0.00 H new ATOM 0 HG22 ILE A 68 73.186 1.902 -4.717 1.00 0.00 H new ATOM 0 HG23 ILE A 68 71.947 2.950 -5.450 1.00 0.00 H new ATOM 0 HD11 ILE A 68 71.838 6.864 -2.663 1.00 0.00 H new ATOM 0 HD12 ILE A 68 71.425 5.349 -1.826 1.00 0.00 H new ATOM 0 HD13 ILE A 68 73.128 5.838 -1.992 1.00 0.00 H new ATOM 949 N ILE A 69 70.867 0.623 -2.429 1.00 0.00 N ATOM 950 CA ILE A 69 71.043 -0.852 -2.322 1.00 0.00 C ATOM 951 C ILE A 69 70.927 -1.516 -3.701 1.00 0.00 C ATOM 952 O ILE A 69 70.426 -0.932 -4.641 1.00 0.00 O ATOM 953 CB ILE A 69 69.904 -1.281 -1.397 1.00 0.00 C ATOM 954 CG1 ILE A 69 70.052 -0.547 -0.060 1.00 0.00 C ATOM 955 CG2 ILE A 69 69.959 -2.790 -1.160 1.00 0.00 C ATOM 956 CD1 ILE A 69 68.687 -0.428 0.622 1.00 0.00 C ATOM 0 H ILE A 69 69.913 0.952 -2.280 1.00 0.00 H new ATOM 0 HA ILE A 69 72.022 -1.141 -1.941 1.00 0.00 H new ATOM 0 HB ILE A 69 68.948 -1.033 -1.857 1.00 0.00 H new ATOM 0 HG12 ILE A 69 70.745 -1.086 0.586 1.00 0.00 H new ATOM 0 HG13 ILE A 69 70.474 0.444 -0.224 1.00 0.00 H new ATOM 0 HG21 ILE A 69 69.143 -3.085 -0.500 1.00 0.00 H new ATOM 0 HG22 ILE A 69 69.862 -3.312 -2.112 1.00 0.00 H new ATOM 0 HG23 ILE A 69 70.911 -3.051 -0.699 1.00 0.00 H new ATOM 0 HD11 ILE A 69 68.799 0.095 1.572 1.00 0.00 H new ATOM 0 HD12 ILE A 69 68.006 0.130 -0.021 1.00 0.00 H new ATOM 0 HD13 ILE A 69 68.282 -1.424 0.802 1.00 0.00 H new ATOM 968 N THR A 70 71.398 -2.732 -3.829 1.00 0.00 N ATOM 969 CA THR A 70 71.324 -3.426 -5.152 1.00 0.00 C ATOM 970 C THR A 70 71.426 -4.946 -4.975 1.00 0.00 C ATOM 971 O THR A 70 72.506 -5.499 -4.909 1.00 0.00 O ATOM 972 CB THR A 70 72.530 -2.910 -5.935 1.00 0.00 C ATOM 973 OG1 THR A 70 72.344 -1.536 -6.237 1.00 0.00 O ATOM 974 CG2 THR A 70 72.689 -3.707 -7.234 1.00 0.00 C ATOM 0 H THR A 70 71.829 -3.272 -3.078 1.00 0.00 H new ATOM 0 HA THR A 70 70.380 -3.229 -5.660 1.00 0.00 H new ATOM 0 HB THR A 70 73.429 -3.032 -5.331 1.00 0.00 H new ATOM 0 HG1 THR A 70 71.430 -1.270 -6.003 1.00 0.00 H new ATOM 0 HG21 THR A 70 73.551 -3.333 -7.787 1.00 0.00 H new ATOM 0 HG22 THR A 70 72.838 -4.761 -6.998 1.00 0.00 H new ATOM 0 HG23 THR A 70 71.791 -3.595 -7.842 1.00 0.00 H new ATOM 982 N GLY A 71 70.316 -5.627 -4.912 1.00 0.00 N ATOM 983 CA GLY A 71 70.365 -7.107 -4.750 1.00 0.00 C ATOM 984 C GLY A 71 70.378 -7.457 -3.263 1.00 0.00 C ATOM 985 O GLY A 71 70.941 -8.453 -2.853 1.00 0.00 O ATOM 0 H GLY A 71 69.380 -5.225 -4.965 1.00 0.00 H new ATOM 0 HA2 GLY A 71 69.503 -7.565 -5.235 1.00 0.00 H new ATOM 0 HA3 GLY A 71 71.254 -7.507 -5.236 1.00 0.00 H new ATOM 989 N GLY A 72 69.767 -6.641 -2.450 1.00 0.00 N ATOM 990 CA GLY A 72 69.748 -6.922 -0.989 1.00 0.00 C ATOM 991 C GLY A 72 71.064 -6.450 -0.367 1.00 0.00 C ATOM 992 O GLY A 72 71.413 -6.819 0.738 1.00 0.00 O ATOM 0 H GLY A 72 69.280 -5.791 -2.735 1.00 0.00 H new ATOM 0 HA2 GLY A 72 68.907 -6.412 -0.520 1.00 0.00 H new ATOM 0 HA3 GLY A 72 69.612 -7.989 -0.814 1.00 0.00 H new ATOM 996 N VAL A 73 71.803 -5.646 -1.080 1.00 0.00 N ATOM 997 CA VAL A 73 73.109 -5.149 -0.551 1.00 0.00 C ATOM 998 C VAL A 73 73.181 -3.616 -0.641 1.00 0.00 C ATOM 999 O VAL A 73 73.028 -3.054 -1.708 1.00 0.00 O ATOM 1000 CB VAL A 73 74.144 -5.775 -1.478 1.00 0.00 C ATOM 1001 CG1 VAL A 73 73.906 -7.286 -1.565 1.00 0.00 C ATOM 1002 CG2 VAL A 73 73.997 -5.151 -2.867 1.00 0.00 C ATOM 0 H VAL A 73 71.559 -5.309 -2.011 1.00 0.00 H new ATOM 0 HA VAL A 73 73.261 -5.409 0.496 1.00 0.00 H new ATOM 0 HB VAL A 73 75.148 -5.594 -1.094 1.00 0.00 H new ATOM 0 HG11 VAL A 73 74.646 -7.733 -2.228 1.00 0.00 H new ATOM 0 HG12 VAL A 73 73.995 -7.726 -0.572 1.00 0.00 H new ATOM 0 HG13 VAL A 73 72.907 -7.475 -1.957 1.00 0.00 H new ATOM 0 HG21 VAL A 73 74.732 -5.589 -3.542 1.00 0.00 H new ATOM 0 HG22 VAL A 73 72.994 -5.343 -3.248 1.00 0.00 H new ATOM 0 HG23 VAL A 73 74.160 -4.075 -2.802 1.00 0.00 H new ATOM 1012 N PRO A 74 73.418 -2.992 0.483 1.00 0.00 N ATOM 1013 CA PRO A 74 73.518 -1.509 0.528 1.00 0.00 C ATOM 1014 C PRO A 74 74.845 -1.025 -0.054 1.00 0.00 C ATOM 1015 O PRO A 74 75.892 -1.589 0.199 1.00 0.00 O ATOM 1016 CB PRO A 74 73.457 -1.185 2.015 1.00 0.00 C ATOM 1017 CG PRO A 74 73.936 -2.427 2.703 1.00 0.00 C ATOM 1018 CD PRO A 74 73.610 -3.595 1.804 1.00 0.00 C ATOM 0 HA PRO A 74 72.733 -1.027 -0.055 1.00 0.00 H new ATOM 0 HB2 PRO A 74 74.088 -0.330 2.259 1.00 0.00 H new ATOM 0 HB3 PRO A 74 72.443 -0.930 2.322 1.00 0.00 H new ATOM 0 HG2 PRO A 74 75.009 -2.373 2.889 1.00 0.00 H new ATOM 0 HG3 PRO A 74 73.450 -2.541 3.672 1.00 0.00 H new ATOM 0 HD2 PRO A 74 74.418 -4.327 1.794 1.00 0.00 H new ATOM 0 HD3 PRO A 74 72.713 -4.116 2.138 1.00 0.00 H new ATOM 1026 N ALA A 75 74.811 0.034 -0.815 1.00 0.00 N ATOM 1027 CA ALA A 75 76.070 0.573 -1.395 1.00 0.00 C ATOM 1028 C ALA A 75 76.882 1.266 -0.297 1.00 0.00 C ATOM 1029 O ALA A 75 76.364 1.568 0.760 1.00 0.00 O ATOM 1030 CB ALA A 75 75.616 1.589 -2.442 1.00 0.00 C ATOM 0 H ALA A 75 73.965 0.548 -1.059 1.00 0.00 H new ATOM 0 HA ALA A 75 76.701 -0.203 -1.829 1.00 0.00 H new ATOM 0 HB1 ALA A 75 76.489 2.035 -2.919 1.00 0.00 H new ATOM 0 HB2 ALA A 75 75.007 1.088 -3.195 1.00 0.00 H new ATOM 0 HB3 ALA A 75 75.028 2.370 -1.960 1.00 0.00 H new ATOM 1036 N PRO A 76 78.132 1.500 -0.584 1.00 0.00 N ATOM 1037 CA PRO A 76 79.020 2.173 0.395 1.00 0.00 C ATOM 1038 C PRO A 76 78.634 3.651 0.528 1.00 0.00 C ATOM 1039 O PRO A 76 79.429 4.535 0.280 1.00 0.00 O ATOM 1040 CB PRO A 76 80.411 2.018 -0.218 1.00 0.00 C ATOM 1041 CG PRO A 76 80.166 1.850 -1.685 1.00 0.00 C ATOM 1042 CD PRO A 76 78.831 1.167 -1.830 1.00 0.00 C ATOM 0 HA PRO A 76 78.958 1.752 1.399 1.00 0.00 H new ATOM 0 HB2 PRO A 76 81.031 2.892 -0.018 1.00 0.00 H new ATOM 0 HB3 PRO A 76 80.932 1.156 0.197 1.00 0.00 H new ATOM 0 HG2 PRO A 76 80.162 2.816 -2.189 1.00 0.00 H new ATOM 0 HG3 PRO A 76 80.956 1.255 -2.143 1.00 0.00 H new ATOM 0 HD2 PRO A 76 78.288 1.530 -2.703 1.00 0.00 H new ATOM 0 HD3 PRO A 76 78.944 0.090 -1.950 1.00 0.00 H new ATOM 1050 N SER A 77 77.412 3.919 0.910 1.00 0.00 N ATOM 1051 CA SER A 77 76.960 5.337 1.053 1.00 0.00 C ATOM 1052 C SER A 77 77.164 5.828 2.492 1.00 0.00 C ATOM 1053 O SER A 77 76.604 5.290 3.427 1.00 0.00 O ATOM 1054 CB SER A 77 75.472 5.309 0.704 1.00 0.00 C ATOM 1055 OG SER A 77 75.315 5.499 -0.696 1.00 0.00 O ATOM 0 H SER A 77 76.706 3.216 1.130 1.00 0.00 H new ATOM 0 HA SER A 77 77.523 6.014 0.410 1.00 0.00 H new ATOM 0 HB2 SER A 77 75.034 4.357 1.005 1.00 0.00 H new ATOM 0 HB3 SER A 77 74.944 6.090 1.250 1.00 0.00 H new ATOM 0 HG SER A 77 74.863 4.720 -1.083 1.00 0.00 H new ATOM 1061 N ALA A 78 77.965 6.845 2.675 1.00 0.00 N ATOM 1062 CA ALA A 78 78.212 7.373 4.053 1.00 0.00 C ATOM 1063 C ALA A 78 77.020 8.200 4.548 1.00 0.00 C ATOM 1064 O ALA A 78 77.042 8.740 5.636 1.00 0.00 O ATOM 1065 CB ALA A 78 79.451 8.258 3.921 1.00 0.00 C ATOM 0 H ALA A 78 78.460 7.335 1.930 1.00 0.00 H new ATOM 0 HA ALA A 78 78.351 6.567 4.774 1.00 0.00 H new ATOM 0 HB1 ALA A 78 79.699 8.685 4.893 1.00 0.00 H new ATOM 0 HB2 ALA A 78 80.289 7.660 3.563 1.00 0.00 H new ATOM 0 HB3 ALA A 78 79.250 9.062 3.212 1.00 0.00 H new ATOM 1071 N ALA A 79 75.982 8.310 3.765 1.00 0.00 N ATOM 1072 CA ALA A 79 74.799 9.109 4.205 1.00 0.00 C ATOM 1073 C ALA A 79 73.627 8.182 4.527 1.00 0.00 C ATOM 1074 O ALA A 79 72.672 8.570 5.172 1.00 0.00 O ATOM 1075 CB ALA A 79 74.454 10.001 3.013 1.00 0.00 C ATOM 0 H ALA A 79 75.900 7.883 2.842 1.00 0.00 H new ATOM 0 HA ALA A 79 75.008 9.689 5.104 1.00 0.00 H new ATOM 0 HB1 ALA A 79 73.592 10.620 3.260 1.00 0.00 H new ATOM 0 HB2 ALA A 79 75.305 10.641 2.779 1.00 0.00 H new ATOM 0 HB3 ALA A 79 74.219 9.379 2.149 1.00 0.00 H new ATOM 1081 N CYS A 80 73.688 6.962 4.075 1.00 0.00 N ATOM 1082 CA CYS A 80 72.574 6.009 4.339 1.00 0.00 C ATOM 1083 C CYS A 80 72.527 5.617 5.822 1.00 0.00 C ATOM 1084 O CYS A 80 73.446 5.863 6.576 1.00 0.00 O ATOM 1085 CB CYS A 80 72.889 4.801 3.454 1.00 0.00 C ATOM 1086 SG CYS A 80 71.916 3.379 3.989 1.00 0.00 S ATOM 0 H CYS A 80 74.463 6.582 3.532 1.00 0.00 H new ATOM 0 HA CYS A 80 71.597 6.438 4.116 1.00 0.00 H new ATOM 0 HB2 CYS A 80 72.667 5.034 2.413 1.00 0.00 H new ATOM 0 HB3 CYS A 80 73.952 4.567 3.508 1.00 0.00 H new ATOM 1091 N LYS A 81 71.440 5.023 6.237 1.00 0.00 N ATOM 1092 CA LYS A 81 71.290 4.614 7.667 1.00 0.00 C ATOM 1093 C LYS A 81 72.377 3.618 8.094 1.00 0.00 C ATOM 1094 O LYS A 81 73.336 3.990 8.737 1.00 0.00 O ATOM 1095 CB LYS A 81 69.898 3.970 7.777 1.00 0.00 C ATOM 1096 CG LYS A 81 69.599 3.122 6.536 1.00 0.00 C ATOM 1097 CD LYS A 81 68.957 1.800 6.967 1.00 0.00 C ATOM 1098 CE LYS A 81 69.788 0.624 6.450 1.00 0.00 C ATOM 1099 NZ LYS A 81 68.902 -0.059 5.468 1.00 0.00 N ATOM 0 H LYS A 81 70.642 4.801 5.642 1.00 0.00 H new ATOM 0 HA LYS A 81 71.395 5.476 8.326 1.00 0.00 H new ATOM 0 HB2 LYS A 81 69.848 3.348 8.670 1.00 0.00 H new ATOM 0 HB3 LYS A 81 69.140 4.745 7.886 1.00 0.00 H new ATOM 0 HG2 LYS A 81 68.931 3.662 5.865 1.00 0.00 H new ATOM 0 HG3 LYS A 81 70.518 2.929 5.983 1.00 0.00 H new ATOM 0 HD2 LYS A 81 68.887 1.757 8.054 1.00 0.00 H new ATOM 0 HD3 LYS A 81 67.940 1.736 6.579 1.00 0.00 H new ATOM 0 HE2 LYS A 81 70.710 0.966 5.981 1.00 0.00 H new ATOM 0 HE3 LYS A 81 70.073 -0.047 7.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 69.282 -1.004 5.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 67.946 -0.151 5.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 68.858 0.500 4.592 1.00 0.00 H new ATOM 1113 N ILE A 82 72.215 2.354 7.783 1.00 0.00 N ATOM 1114 CA ILE A 82 73.213 1.334 8.210 1.00 0.00 C ATOM 1115 C ILE A 82 73.076 1.127 9.717 1.00 0.00 C ATOM 1116 O ILE A 82 74.041 0.889 10.415 1.00 0.00 O ATOM 1117 CB ILE A 82 74.591 1.903 7.848 1.00 0.00 C ATOM 1118 CG1 ILE A 82 74.570 2.476 6.421 1.00 0.00 C ATOM 1119 CG2 ILE A 82 75.630 0.786 7.927 1.00 0.00 C ATOM 1120 CD1 ILE A 82 73.757 1.563 5.496 1.00 0.00 C ATOM 0 H ILE A 82 71.428 1.987 7.248 1.00 0.00 H new ATOM 0 HA ILE A 82 73.068 0.369 7.724 1.00 0.00 H new ATOM 0 HB ILE A 82 74.844 2.700 8.547 1.00 0.00 H new ATOM 0 HG12 ILE A 82 74.137 3.476 6.429 1.00 0.00 H new ATOM 0 HG13 ILE A 82 75.589 2.573 6.045 1.00 0.00 H new ATOM 0 HG21 ILE A 82 76.612 1.184 7.671 1.00 0.00 H new ATOM 0 HG22 ILE A 82 75.655 0.383 8.939 1.00 0.00 H new ATOM 0 HG23 ILE A 82 75.366 -0.007 7.227 1.00 0.00 H new ATOM 0 HD11 ILE A 82 73.750 1.979 4.489 1.00 0.00 H new ATOM 0 HD12 ILE A 82 74.208 0.571 5.475 1.00 0.00 H new ATOM 0 HD13 ILE A 82 72.734 1.489 5.865 1.00 0.00 H new ATOM 1132 N SER A 83 71.872 1.236 10.221 1.00 0.00 N ATOM 1133 CA SER A 83 71.654 1.071 11.687 1.00 0.00 C ATOM 1134 C SER A 83 70.855 -0.202 11.999 1.00 0.00 C ATOM 1135 O SER A 83 71.416 -1.232 12.317 1.00 0.00 O ATOM 1136 CB SER A 83 70.862 2.313 12.100 1.00 0.00 C ATOM 1137 OG SER A 83 71.713 3.457 12.056 1.00 0.00 O ATOM 0 H SER A 83 71.031 1.432 9.678 1.00 0.00 H new ATOM 0 HA SER A 83 72.596 0.973 12.226 1.00 0.00 H new ATOM 0 HB2 SER A 83 70.012 2.453 11.433 1.00 0.00 H new ATOM 0 HB3 SER A 83 70.461 2.184 13.105 1.00 0.00 H new ATOM 0 HG SER A 83 71.205 4.253 12.319 1.00 0.00 H new ATOM 1143 N GLY A 84 69.548 -0.137 11.942 1.00 0.00 N ATOM 1144 CA GLY A 84 68.731 -1.343 12.273 1.00 0.00 C ATOM 1145 C GLY A 84 67.916 -1.804 11.060 1.00 0.00 C ATOM 1146 O GLY A 84 66.757 -1.470 10.918 1.00 0.00 O ATOM 0 H GLY A 84 69.015 0.693 11.682 1.00 0.00 H new ATOM 0 HA2 GLY A 84 69.385 -2.150 12.604 1.00 0.00 H new ATOM 0 HA3 GLY A 84 68.060 -1.116 13.101 1.00 0.00 H new ATOM 1150 N CYS A 85 68.506 -2.587 10.198 1.00 0.00 N ATOM 1151 CA CYS A 85 67.758 -3.087 9.008 1.00 0.00 C ATOM 1152 C CYS A 85 68.652 -4.003 8.166 1.00 0.00 C ATOM 1153 O CYS A 85 69.824 -4.168 8.437 1.00 0.00 O ATOM 1154 CB CYS A 85 67.375 -1.837 8.213 1.00 0.00 C ATOM 1155 SG CYS A 85 66.055 -2.253 7.042 1.00 0.00 S ATOM 0 H CYS A 85 69.474 -2.902 10.266 1.00 0.00 H new ATOM 0 HA CYS A 85 66.882 -3.669 9.293 1.00 0.00 H new ATOM 0 HB2 CYS A 85 67.042 -1.050 8.889 1.00 0.00 H new ATOM 0 HB3 CYS A 85 68.243 -1.452 7.678 1.00 0.00 H new ATOM 1160 N THR A 86 68.098 -4.600 7.150 1.00 0.00 N ATOM 1161 CA THR A 86 68.890 -5.507 6.278 1.00 0.00 C ATOM 1162 C THR A 86 68.065 -5.849 5.043 1.00 0.00 C ATOM 1163 O THR A 86 66.882 -5.578 4.984 1.00 0.00 O ATOM 1164 CB THR A 86 69.133 -6.763 7.114 1.00 0.00 C ATOM 1165 OG1 THR A 86 69.866 -7.707 6.344 1.00 0.00 O ATOM 1166 CG2 THR A 86 67.787 -7.367 7.520 1.00 0.00 C ATOM 0 H THR A 86 67.119 -4.497 6.884 1.00 0.00 H new ATOM 0 HA THR A 86 69.827 -5.060 5.947 1.00 0.00 H new ATOM 0 HB THR A 86 69.701 -6.506 8.008 1.00 0.00 H new ATOM 0 HG1 THR A 86 70.025 -8.513 6.879 1.00 0.00 H new ATOM 0 HG21 THR A 86 67.956 -8.263 8.117 1.00 0.00 H new ATOM 0 HG22 THR A 86 67.225 -6.641 8.107 1.00 0.00 H new ATOM 0 HG23 THR A 86 67.221 -7.628 6.626 1.00 0.00 H new ATOM 1174 N PHE A 87 68.663 -6.447 4.061 1.00 0.00 N ATOM 1175 CA PHE A 87 67.886 -6.805 2.845 1.00 0.00 C ATOM 1176 C PHE A 87 68.065 -8.289 2.549 1.00 0.00 C ATOM 1177 O PHE A 87 69.030 -8.903 2.959 1.00 0.00 O ATOM 1178 CB PHE A 87 68.463 -5.961 1.704 1.00 0.00 C ATOM 1179 CG PHE A 87 68.893 -4.609 2.216 1.00 0.00 C ATOM 1180 CD1 PHE A 87 68.032 -3.850 3.018 1.00 0.00 C ATOM 1181 CD2 PHE A 87 70.162 -4.123 1.893 1.00 0.00 C ATOM 1182 CE1 PHE A 87 68.443 -2.598 3.494 1.00 0.00 C ATOM 1183 CE2 PHE A 87 70.572 -2.876 2.367 1.00 0.00 C ATOM 1184 CZ PHE A 87 69.715 -2.113 3.170 1.00 0.00 C ATOM 0 H PHE A 87 69.650 -6.704 4.043 1.00 0.00 H new ATOM 0 HA PHE A 87 66.820 -6.614 2.972 1.00 0.00 H new ATOM 0 HB2 PHE A 87 69.314 -6.475 1.257 1.00 0.00 H new ATOM 0 HB3 PHE A 87 67.716 -5.839 0.919 1.00 0.00 H new ATOM 0 HD1 PHE A 87 67.052 -4.229 3.269 1.00 0.00 H new ATOM 0 HD2 PHE A 87 70.825 -4.712 1.277 1.00 0.00 H new ATOM 0 HE1 PHE A 87 67.780 -2.009 4.110 1.00 0.00 H new ATOM 0 HE2 PHE A 87 71.552 -2.499 2.114 1.00 0.00 H new ATOM 0 HZ PHE A 87 70.036 -1.150 3.539 1.00 0.00 H new ATOM 1194 N SER A 88 67.146 -8.872 1.841 1.00 0.00 N ATOM 1195 CA SER A 88 67.269 -10.314 1.516 1.00 0.00 C ATOM 1196 C SER A 88 67.078 -10.514 0.014 1.00 0.00 C ATOM 1197 O SER A 88 66.774 -11.594 -0.448 1.00 0.00 O ATOM 1198 CB SER A 88 66.152 -10.990 2.308 1.00 0.00 C ATOM 1199 OG SER A 88 66.592 -11.204 3.642 1.00 0.00 O ATOM 0 H SER A 88 66.314 -8.412 1.473 1.00 0.00 H new ATOM 0 HA SER A 88 68.245 -10.728 1.771 1.00 0.00 H new ATOM 0 HB2 SER A 88 65.257 -10.368 2.302 1.00 0.00 H new ATOM 0 HB3 SER A 88 65.883 -11.939 1.844 1.00 0.00 H new ATOM 0 HG SER A 88 65.879 -11.636 4.156 1.00 0.00 H new ATOM 1205 N ALA A 89 67.259 -9.471 -0.751 1.00 0.00 N ATOM 1206 CA ALA A 89 67.092 -9.589 -2.225 1.00 0.00 C ATOM 1207 C ALA A 89 65.723 -10.191 -2.548 1.00 0.00 C ATOM 1208 O ALA A 89 65.617 -11.234 -3.165 1.00 0.00 O ATOM 1209 CB ALA A 89 68.217 -10.519 -2.672 1.00 0.00 C ATOM 0 H ALA A 89 67.516 -8.542 -0.417 1.00 0.00 H new ATOM 0 HA ALA A 89 67.140 -8.626 -2.733 1.00 0.00 H new ATOM 0 HB1 ALA A 89 68.166 -10.659 -3.752 1.00 0.00 H new ATOM 0 HB2 ALA A 89 69.179 -10.079 -2.409 1.00 0.00 H new ATOM 0 HB3 ALA A 89 68.111 -11.483 -2.175 1.00 0.00 H new ATOM 1215 N ASN A 90 64.673 -9.541 -2.128 1.00 0.00 N ATOM 1216 CA ASN A 90 63.306 -10.068 -2.399 1.00 0.00 C ATOM 1217 C ASN A 90 63.209 -10.583 -3.843 1.00 0.00 C ATOM 1218 O ASN A 90 62.339 -11.395 -4.104 1.00 0.00 O ATOM 1219 CB ASN A 90 62.374 -8.868 -2.149 1.00 0.00 C ATOM 1220 CG ASN A 90 62.034 -8.160 -3.468 1.00 0.00 C ATOM 1221 OD1 ASN A 90 60.911 -8.219 -3.929 1.00 0.00 O ATOM 1222 ND2 ASN A 90 62.963 -7.493 -4.099 1.00 0.00 N ATOM 1223 OXT ASN A 90 64.007 -10.152 -4.659 1.00 0.00 O ATOM 0 H ASN A 90 64.703 -8.665 -1.607 1.00 0.00 H new ATOM 0 HA ASN A 90 63.041 -10.915 -1.766 1.00 0.00 H new ATOM 0 HB2 ASN A 90 61.458 -9.207 -1.666 1.00 0.00 H new ATOM 0 HB3 ASN A 90 62.853 -8.166 -1.467 1.00 0.00 H new ATOM 0 HD21 ASN A 90 62.746 -7.022 -4.977 1.00 0.00 H new ATOM 0 HD22 ASN A 90 63.906 -7.443 -3.713 1.00 0.00 H new