USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=36 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 40 SER OG : rot 16:sc= 1.95 USER MOD Set 1.2: A 55 SER OG : rot 36:sc= 0.8 USER MOD Set 1.3: A 90 ASN :FLIP amide:sc= -6.32! C(o=-4.1!,f=-3.6!) USER MOD Set 2.1: A 53 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 70 THR OG1 : rot 2:sc= 1.02 USER MOD Set 3.1: A 16 LYS NZ :NH3+ -168:sc= 0.637 (180deg=0) USER MOD Set 3.2: A 33 TYR OH : rot -130:sc= -3.32! USER MOD Single : A 10 GLN : amide:sc= -4.45! C(o=-4.5!,f=-5.2!) USER MOD Single : A 12 SER OG : rot 171:sc= 0.681 USER MOD Single : A 14 ASN :FLIP amide:sc= -4.15! C(o=-5!,f=-4.1!) USER MOD Single : A 15 SER OG : rot 44:sc= -2.06 USER MOD Single : A 17 CYS SG : rot 180:sc= -1.52 USER MOD Single : A 19 LYS NZ :NH3+ -147:sc= -0.0368 (180deg=-0.58) USER MOD Single : A 20 SER OG : rot -40:sc= -0.012 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -26:sc= 0.0709 USER MOD Single : A 24 ASN : amide:sc= -1.33 K(o=-1.3,f=-5.7!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -165:sc= 0.0746 (180deg=-0.0788) USER MOD Single : A 30 SER OG : rot 67:sc= -0.99 USER MOD Single : A 35 THR OG1 : rot 38:sc= -0.161 USER MOD Single : A 36 THR OG1 : rot -160:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.381 USER MOD Single : A 48 THR OG1 : rot 180:sc= -1.22 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00639 USER MOD Single : A 50 SER OG : rot 113:sc= -2.66! USER MOD Single : A 51 THR OG1 : rot -170:sc= 0 USER MOD Single : A 52 SER OG : rot 11:sc= 0.636! USER MOD Single : A 58 SER OG : rot -160:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0602) USER MOD Single : A 65 SER OG : rot 180:sc= -0.206 USER MOD Single : A 66 THR OG1 : rot 180:sc=-0.00667 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -178:sc= -2.62! (180deg=-2.69!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0267 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 110 N GLN A 10 50.704 -2.935 -5.133 1.00 0.00 N ATOM 111 CA GLN A 10 49.657 -3.150 -4.092 1.00 0.00 C ATOM 112 C GLN A 10 49.738 -2.090 -2.985 1.00 0.00 C ATOM 113 O GLN A 10 48.732 -1.578 -2.533 1.00 0.00 O ATOM 114 CB GLN A 10 49.953 -4.553 -3.535 1.00 0.00 C ATOM 115 CG GLN A 10 50.888 -4.472 -2.322 1.00 0.00 C ATOM 116 CD GLN A 10 51.113 -5.873 -1.752 1.00 0.00 C ATOM 117 OE1 GLN A 10 51.046 -6.852 -2.469 1.00 0.00 O ATOM 118 NE2 GLN A 10 51.377 -6.012 -0.482 1.00 0.00 N ATOM 0 HA GLN A 10 48.650 -3.068 -4.502 1.00 0.00 H new ATOM 0 HB2 GLN A 10 49.021 -5.040 -3.249 1.00 0.00 H new ATOM 0 HB3 GLN A 10 50.409 -5.168 -4.311 1.00 0.00 H new ATOM 0 HG2 GLN A 10 51.841 -4.030 -2.614 1.00 0.00 H new ATOM 0 HG3 GLN A 10 50.456 -3.824 -1.560 1.00 0.00 H new ATOM 0 HE21 GLN A 10 51.433 -5.191 0.120 1.00 0.00 H new ATOM 0 HE22 GLN A 10 51.527 -6.942 -0.091 1.00 0.00 H new ATOM 127 N LEU A 11 50.919 -1.774 -2.525 1.00 0.00 N ATOM 128 CA LEU A 11 51.032 -0.773 -1.427 1.00 0.00 C ATOM 129 C LEU A 11 50.031 -1.126 -0.330 1.00 0.00 C ATOM 130 O LEU A 11 48.949 -0.580 -0.263 1.00 0.00 O ATOM 131 CB LEU A 11 50.679 0.571 -2.059 1.00 0.00 C ATOM 132 CG LEU A 11 50.994 1.689 -1.065 1.00 0.00 C ATOM 133 CD1 LEU A 11 52.410 1.499 -0.515 1.00 0.00 C ATOM 134 CD2 LEU A 11 50.899 3.040 -1.777 1.00 0.00 C ATOM 0 H LEU A 11 51.802 -2.162 -2.858 1.00 0.00 H new ATOM 0 HA LEU A 11 52.026 -0.750 -0.981 1.00 0.00 H new ATOM 0 HB2 LEU A 11 51.246 0.715 -2.979 1.00 0.00 H new ATOM 0 HB3 LEU A 11 49.623 0.594 -2.329 1.00 0.00 H new ATOM 0 HG LEU A 11 50.280 1.659 -0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 11 52.635 2.296 0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 11 52.478 0.535 -0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 11 53.126 1.531 -1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 11 51.123 3.840 -1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 11 51.615 3.070 -2.598 1.00 0.00 H new ATOM 0 HD23 LEU A 11 49.891 3.174 -2.170 1.00 0.00 H new ATOM 146 N SER A 12 50.380 -2.046 0.523 1.00 0.00 N ATOM 147 CA SER A 12 49.444 -2.448 1.607 1.00 0.00 C ATOM 148 C SER A 12 48.814 -1.211 2.248 1.00 0.00 C ATOM 149 O SER A 12 49.411 -0.153 2.295 1.00 0.00 O ATOM 150 CB SER A 12 50.307 -3.206 2.612 1.00 0.00 C ATOM 151 OG SER A 12 49.537 -4.238 3.211 1.00 0.00 O ATOM 0 H SER A 12 51.274 -2.537 0.516 1.00 0.00 H new ATOM 0 HA SER A 12 48.621 -3.061 1.240 1.00 0.00 H new ATOM 0 HB2 SER A 12 51.178 -3.630 2.113 1.00 0.00 H new ATOM 0 HB3 SER A 12 50.678 -2.524 3.377 1.00 0.00 H new ATOM 0 HG SER A 12 50.121 -4.811 3.751 1.00 0.00 H new ATOM 157 N ALA A 13 47.612 -1.334 2.740 1.00 0.00 N ATOM 158 CA ALA A 13 46.942 -0.165 3.375 1.00 0.00 C ATOM 159 C ALA A 13 47.729 0.286 4.607 1.00 0.00 C ATOM 160 O ALA A 13 47.468 1.328 5.175 1.00 0.00 O ATOM 161 CB ALA A 13 45.553 -0.665 3.773 1.00 0.00 C ATOM 0 H ALA A 13 47.065 -2.195 2.730 1.00 0.00 H new ATOM 0 HA ALA A 13 46.883 0.692 2.704 1.00 0.00 H new ATOM 0 HB1 ALA A 13 44.998 0.143 4.249 1.00 0.00 H new ATOM 0 HB2 ALA A 13 45.018 -0.999 2.884 1.00 0.00 H new ATOM 0 HB3 ALA A 13 45.652 -1.497 4.470 1.00 0.00 H new ATOM 167 N ASN A 14 48.690 -0.490 5.028 1.00 0.00 N ATOM 168 CA ASN A 14 49.488 -0.102 6.224 1.00 0.00 C ATOM 169 C ASN A 14 50.707 0.727 5.803 1.00 0.00 C ATOM 170 O ASN A 14 51.412 1.270 6.630 1.00 0.00 O ATOM 171 CB ASN A 14 49.924 -1.427 6.848 1.00 0.00 C ATOM 172 CG ASN A 14 50.477 -1.176 8.251 1.00 0.00 C ATOM 173 OD1 ASN A 14 50.516 -2.162 9.107 1.00 0.00 O flip ATOM 174 ND2 ASN A 14 50.873 -0.075 8.574 1.00 0.00 N flip ATOM 0 H ASN A 14 48.956 -1.375 4.596 1.00 0.00 H new ATOM 0 HA ASN A 14 48.919 0.511 6.923 1.00 0.00 H new ATOM 0 HB2 ASN A 14 49.078 -2.113 6.897 1.00 0.00 H new ATOM 0 HB3 ASN A 14 50.684 -1.901 6.226 1.00 0.00 H new ATOM 0 HD21 ASN A 14 50.842 0.694 7.905 1.00 0.00 H new ATOM 0 HD22 ASN A 14 51.236 0.081 9.514 1.00 0.00 H new ATOM 181 N SER A 15 50.959 0.837 4.525 1.00 0.00 N ATOM 182 CA SER A 15 52.131 1.639 4.065 1.00 0.00 C ATOM 183 C SER A 15 51.782 3.132 4.069 1.00 0.00 C ATOM 184 O SER A 15 50.882 3.567 4.762 1.00 0.00 O ATOM 185 CB SER A 15 52.423 1.151 2.645 1.00 0.00 C ATOM 186 OG SER A 15 53.596 1.792 2.162 1.00 0.00 O ATOM 0 H SER A 15 50.407 0.408 3.783 1.00 0.00 H new ATOM 0 HA SER A 15 52.997 1.515 4.716 1.00 0.00 H new ATOM 0 HB2 SER A 15 52.557 0.069 2.640 1.00 0.00 H new ATOM 0 HB3 SER A 15 51.579 1.371 1.991 1.00 0.00 H new ATOM 0 HG SER A 15 54.280 1.793 2.863 1.00 0.00 H new ATOM 192 N LYS A 16 52.485 3.922 3.303 1.00 0.00 N ATOM 193 CA LYS A 16 52.187 5.384 3.268 1.00 0.00 C ATOM 194 C LYS A 16 52.191 5.887 1.822 1.00 0.00 C ATOM 195 O LYS A 16 53.008 5.487 1.018 1.00 0.00 O ATOM 196 CB LYS A 16 53.310 6.046 4.070 1.00 0.00 C ATOM 197 CG LYS A 16 52.879 7.453 4.491 1.00 0.00 C ATOM 198 CD LYS A 16 53.983 8.097 5.335 1.00 0.00 C ATOM 199 CE LYS A 16 53.535 9.489 5.790 1.00 0.00 C ATOM 200 NZ LYS A 16 53.614 9.456 7.278 1.00 0.00 N ATOM 0 H LYS A 16 53.251 3.620 2.701 1.00 0.00 H new ATOM 0 HA LYS A 16 51.206 5.613 3.684 1.00 0.00 H new ATOM 0 HB2 LYS A 16 53.543 5.447 4.951 1.00 0.00 H new ATOM 0 HB3 LYS A 16 54.218 6.097 3.469 1.00 0.00 H new ATOM 0 HG2 LYS A 16 52.679 8.062 3.609 1.00 0.00 H new ATOM 0 HG3 LYS A 16 51.952 7.405 5.062 1.00 0.00 H new ATOM 0 HD2 LYS A 16 54.203 7.473 6.201 1.00 0.00 H new ATOM 0 HD3 LYS A 16 54.902 8.171 4.754 1.00 0.00 H new ATOM 0 HE2 LYS A 16 54.180 10.265 5.378 1.00 0.00 H new ATOM 0 HE3 LYS A 16 52.521 9.706 5.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 53.135 10.292 7.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 53.151 8.594 7.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 54.611 9.459 7.573 1.00 0.00 H new ATOM 214 N CYS A 17 51.278 6.756 1.486 1.00 0.00 N ATOM 215 CA CYS A 17 51.220 7.283 0.092 1.00 0.00 C ATOM 216 C CYS A 17 51.561 8.776 0.074 1.00 0.00 C ATOM 217 O CYS A 17 51.120 9.534 0.916 1.00 0.00 O ATOM 218 CB CYS A 17 49.773 7.044 -0.351 1.00 0.00 C ATOM 219 SG CYS A 17 49.311 5.331 0.026 1.00 0.00 S ATOM 0 H CYS A 17 50.568 7.125 2.118 1.00 0.00 H new ATOM 0 HA CYS A 17 51.935 6.796 -0.571 1.00 0.00 H new ATOM 0 HB2 CYS A 17 49.104 7.735 0.162 1.00 0.00 H new ATOM 0 HB3 CYS A 17 49.671 7.234 -1.419 1.00 0.00 H new ATOM 0 HG CYS A 17 48.083 5.121 -0.345 1.00 0.00 H new ATOM 224 N GLU A 18 52.349 9.204 -0.876 1.00 0.00 N ATOM 225 CA GLU A 18 52.722 10.647 -0.943 1.00 0.00 C ATOM 226 C GLU A 18 53.413 10.956 -2.280 1.00 0.00 C ATOM 227 O GLU A 18 52.909 10.623 -3.334 1.00 0.00 O ATOM 228 CB GLU A 18 53.677 10.852 0.233 1.00 0.00 C ATOM 229 CG GLU A 18 54.834 9.857 0.128 1.00 0.00 C ATOM 230 CD GLU A 18 54.831 8.933 1.349 1.00 0.00 C ATOM 231 OE1 GLU A 18 54.113 9.226 2.291 1.00 0.00 O ATOM 232 OE2 GLU A 18 55.547 7.946 1.319 1.00 0.00 O ATOM 0 H GLU A 18 52.750 8.618 -1.608 1.00 0.00 H new ATOM 0 HA GLU A 18 51.858 11.309 -0.884 1.00 0.00 H new ATOM 0 HB2 GLU A 18 54.059 11.873 0.231 1.00 0.00 H new ATOM 0 HB3 GLU A 18 53.147 10.712 1.175 1.00 0.00 H new ATOM 0 HG2 GLU A 18 54.740 9.269 -0.785 1.00 0.00 H new ATOM 0 HG3 GLU A 18 55.782 10.392 0.067 1.00 0.00 H new ATOM 239 N LYS A 19 54.557 11.593 -2.255 1.00 0.00 N ATOM 240 CA LYS A 19 55.251 11.917 -3.535 1.00 0.00 C ATOM 241 C LYS A 19 56.367 10.904 -3.817 1.00 0.00 C ATOM 242 O LYS A 19 57.264 11.158 -4.595 1.00 0.00 O ATOM 243 CB LYS A 19 55.830 13.320 -3.329 1.00 0.00 C ATOM 244 CG LYS A 19 56.692 13.344 -2.065 1.00 0.00 C ATOM 245 CD LYS A 19 57.866 14.306 -2.268 1.00 0.00 C ATOM 246 CE LYS A 19 57.857 15.371 -1.166 1.00 0.00 C ATOM 247 NZ LYS A 19 56.613 16.162 -1.395 1.00 0.00 N ATOM 0 H LYS A 19 55.036 11.900 -1.409 1.00 0.00 H new ATOM 0 HA LYS A 19 54.575 11.877 -4.389 1.00 0.00 H new ATOM 0 HB2 LYS A 19 56.428 13.607 -4.194 1.00 0.00 H new ATOM 0 HB3 LYS A 19 55.023 14.048 -3.244 1.00 0.00 H new ATOM 0 HG2 LYS A 19 56.094 13.658 -1.210 1.00 0.00 H new ATOM 0 HG3 LYS A 19 57.062 12.343 -1.845 1.00 0.00 H new ATOM 0 HD2 LYS A 19 58.807 13.756 -2.248 1.00 0.00 H new ATOM 0 HD3 LYS A 19 57.795 14.781 -3.247 1.00 0.00 H new ATOM 0 HE2 LYS A 19 57.856 14.914 -0.177 1.00 0.00 H new ATOM 0 HE3 LYS A 19 58.742 16.004 -1.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 56.775 17.152 -1.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 56.355 16.120 -2.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 55.840 15.766 -0.823 1.00 0.00 H new ATOM 261 N SER A 20 56.317 9.754 -3.198 1.00 0.00 N ATOM 262 CA SER A 20 57.376 8.731 -3.448 1.00 0.00 C ATOM 263 C SER A 20 57.408 8.368 -4.935 1.00 0.00 C ATOM 264 O SER A 20 56.511 8.705 -5.682 1.00 0.00 O ATOM 265 CB SER A 20 56.965 7.522 -2.610 1.00 0.00 C ATOM 266 OG SER A 20 58.131 6.874 -2.118 1.00 0.00 O ATOM 0 H SER A 20 55.593 9.479 -2.534 1.00 0.00 H new ATOM 0 HA SER A 20 58.371 9.088 -3.183 1.00 0.00 H new ATOM 0 HB2 SER A 20 56.333 7.838 -1.780 1.00 0.00 H new ATOM 0 HB3 SER A 20 56.377 6.830 -3.213 1.00 0.00 H new ATOM 0 HG SER A 20 58.818 6.862 -2.817 1.00 0.00 H new ATOM 272 N THR A 21 58.428 7.681 -5.375 1.00 0.00 N ATOM 273 CA THR A 21 58.497 7.301 -6.816 1.00 0.00 C ATOM 274 C THR A 21 59.039 5.876 -6.956 1.00 0.00 C ATOM 275 O THR A 21 60.232 5.648 -6.931 1.00 0.00 O ATOM 276 CB THR A 21 59.454 8.312 -7.455 1.00 0.00 C ATOM 277 OG1 THR A 21 59.798 7.872 -8.761 1.00 0.00 O ATOM 278 CG2 THR A 21 60.721 8.435 -6.607 1.00 0.00 C ATOM 0 H THR A 21 59.212 7.368 -4.803 1.00 0.00 H new ATOM 0 HA THR A 21 57.518 7.318 -7.296 1.00 0.00 H new ATOM 0 HB THR A 21 58.966 9.285 -7.512 1.00 0.00 H new ATOM 0 HG1 THR A 21 60.409 8.518 -9.173 1.00 0.00 H new ATOM 0 HG21 THR A 21 61.398 9.155 -7.066 1.00 0.00 H new ATOM 0 HG22 THR A 21 60.457 8.773 -5.605 1.00 0.00 H new ATOM 0 HG23 THR A 21 61.213 7.464 -6.544 1.00 0.00 H new ATOM 286 N LEU A 22 58.166 4.917 -7.096 1.00 0.00 N ATOM 287 CA LEU A 22 58.622 3.499 -7.230 1.00 0.00 C ATOM 288 C LEU A 22 57.922 2.830 -8.416 1.00 0.00 C ATOM 289 O LEU A 22 57.331 3.487 -9.249 1.00 0.00 O ATOM 290 CB LEU A 22 58.238 2.792 -5.915 1.00 0.00 C ATOM 291 CG LEU A 22 57.199 3.604 -5.131 1.00 0.00 C ATOM 292 CD1 LEU A 22 56.534 2.706 -4.087 1.00 0.00 C ATOM 293 CD2 LEU A 22 57.889 4.774 -4.426 1.00 0.00 C ATOM 0 H LEU A 22 57.155 5.051 -7.124 1.00 0.00 H new ATOM 0 HA LEU A 22 59.696 3.443 -7.408 1.00 0.00 H new ATOM 0 HB2 LEU A 22 57.839 1.802 -6.135 1.00 0.00 H new ATOM 0 HB3 LEU A 22 59.128 2.648 -5.303 1.00 0.00 H new ATOM 0 HG LEU A 22 56.445 3.987 -5.819 1.00 0.00 H new ATOM 0 HD11 LEU A 22 55.795 3.282 -3.529 1.00 0.00 H new ATOM 0 HD12 LEU A 22 56.042 1.871 -4.586 1.00 0.00 H new ATOM 0 HD13 LEU A 22 57.290 2.324 -3.401 1.00 0.00 H new ATOM 0 HD21 LEU A 22 57.150 5.350 -3.869 1.00 0.00 H new ATOM 0 HD22 LEU A 22 58.643 4.391 -3.739 1.00 0.00 H new ATOM 0 HD23 LEU A 22 58.366 5.415 -5.167 1.00 0.00 H new ATOM 305 N THR A 23 57.985 1.527 -8.497 1.00 0.00 N ATOM 306 CA THR A 23 57.325 0.814 -9.634 1.00 0.00 C ATOM 307 C THR A 23 57.252 -0.689 -9.350 1.00 0.00 C ATOM 308 O THR A 23 58.163 -1.272 -8.797 1.00 0.00 O ATOM 309 CB THR A 23 58.222 1.078 -10.847 1.00 0.00 C ATOM 310 OG1 THR A 23 58.286 2.474 -11.100 1.00 0.00 O ATOM 311 CG2 THR A 23 57.653 0.362 -12.074 1.00 0.00 C ATOM 0 H THR A 23 58.464 0.925 -7.827 1.00 0.00 H new ATOM 0 HA THR A 23 56.304 1.161 -9.794 1.00 0.00 H new ATOM 0 HB THR A 23 59.224 0.702 -10.641 1.00 0.00 H new ATOM 0 HG1 THR A 23 57.477 2.906 -10.756 1.00 0.00 H new ATOM 0 HG21 THR A 23 58.293 0.552 -12.935 1.00 0.00 H new ATOM 0 HG22 THR A 23 57.611 -0.710 -11.882 1.00 0.00 H new ATOM 0 HG23 THR A 23 56.649 0.734 -12.279 1.00 0.00 H new ATOM 319 N ASN A 24 56.174 -1.319 -9.731 1.00 0.00 N ATOM 320 CA ASN A 24 56.035 -2.787 -9.494 1.00 0.00 C ATOM 321 C ASN A 24 56.451 -3.146 -8.066 1.00 0.00 C ATOM 322 O ASN A 24 57.038 -4.182 -7.826 1.00 0.00 O ATOM 323 CB ASN A 24 56.982 -3.443 -10.500 1.00 0.00 C ATOM 324 CG ASN A 24 56.398 -3.320 -11.910 1.00 0.00 C ATOM 325 OD1 ASN A 24 56.078 -2.236 -12.355 1.00 0.00 O ATOM 326 ND2 ASN A 24 56.245 -4.396 -12.635 1.00 0.00 N ATOM 0 H ASN A 24 55.380 -0.880 -10.198 1.00 0.00 H new ATOM 0 HA ASN A 24 55.005 -3.121 -9.616 1.00 0.00 H new ATOM 0 HB2 ASN A 24 57.961 -2.966 -10.458 1.00 0.00 H new ATOM 0 HB3 ASN A 24 57.128 -4.493 -10.246 1.00 0.00 H new ATOM 0 HD21 ASN A 24 55.857 -4.326 -13.576 1.00 0.00 H new ATOM 0 HD22 ASN A 24 56.514 -5.306 -12.260 1.00 0.00 H new ATOM 333 N CYS A 25 56.153 -2.305 -7.115 1.00 0.00 N ATOM 334 CA CYS A 25 56.540 -2.616 -5.709 1.00 0.00 C ATOM 335 C CYS A 25 55.566 -3.621 -5.090 1.00 0.00 C ATOM 336 O CYS A 25 54.935 -4.405 -5.770 1.00 0.00 O ATOM 337 CB CYS A 25 56.469 -1.280 -4.959 1.00 0.00 C ATOM 338 SG CYS A 25 57.772 -1.223 -3.703 1.00 0.00 S ATOM 0 H CYS A 25 55.661 -1.421 -7.248 1.00 0.00 H new ATOM 0 HA CYS A 25 57.533 -3.062 -5.657 1.00 0.00 H new ATOM 0 HB2 CYS A 25 56.586 -0.452 -5.658 1.00 0.00 H new ATOM 0 HB3 CYS A 25 55.492 -1.165 -4.490 1.00 0.00 H new ATOM 343 N TYR A 26 55.457 -3.590 -3.794 1.00 0.00 N ATOM 344 CA TYR A 26 54.551 -4.516 -3.059 1.00 0.00 C ATOM 345 C TYR A 26 54.763 -4.247 -1.571 1.00 0.00 C ATOM 346 O TYR A 26 54.843 -5.142 -0.755 1.00 0.00 O ATOM 347 CB TYR A 26 55.012 -5.926 -3.442 1.00 0.00 C ATOM 348 CG TYR A 26 53.826 -6.746 -3.899 1.00 0.00 C ATOM 349 CD1 TYR A 26 52.808 -6.153 -4.654 1.00 0.00 C ATOM 350 CD2 TYR A 26 53.748 -8.104 -3.567 1.00 0.00 C ATOM 351 CE1 TYR A 26 51.712 -6.917 -5.076 1.00 0.00 C ATOM 352 CE2 TYR A 26 52.653 -8.867 -3.987 1.00 0.00 C ATOM 353 CZ TYR A 26 51.636 -8.274 -4.742 1.00 0.00 C ATOM 354 OH TYR A 26 50.555 -9.027 -5.153 1.00 0.00 O ATOM 0 H TYR A 26 55.972 -2.944 -3.196 1.00 0.00 H new ATOM 0 HA TYR A 26 53.493 -4.392 -3.292 1.00 0.00 H new ATOM 0 HB2 TYR A 26 55.756 -5.872 -4.236 1.00 0.00 H new ATOM 0 HB3 TYR A 26 55.491 -6.406 -2.589 1.00 0.00 H new ATOM 0 HD1 TYR A 26 52.867 -5.106 -4.912 1.00 0.00 H new ATOM 0 HD2 TYR A 26 54.534 -8.563 -2.986 1.00 0.00 H new ATOM 0 HE1 TYR A 26 50.926 -6.459 -5.659 1.00 0.00 H new ATOM 0 HE2 TYR A 26 52.593 -9.914 -3.728 1.00 0.00 H new ATOM 0 HH TYR A 26 50.660 -9.949 -4.838 1.00 0.00 H new ATOM 364 N VAL A 27 54.891 -2.991 -1.246 1.00 0.00 N ATOM 365 CA VAL A 27 55.147 -2.562 0.159 1.00 0.00 C ATOM 366 C VAL A 27 54.124 -3.152 1.134 1.00 0.00 C ATOM 367 O VAL A 27 53.005 -3.463 0.775 1.00 0.00 O ATOM 368 CB VAL A 27 55.028 -1.037 0.108 1.00 0.00 C ATOM 369 CG1 VAL A 27 55.389 -0.442 1.473 1.00 0.00 C ATOM 370 CG2 VAL A 27 55.983 -0.486 -0.959 1.00 0.00 C ATOM 0 H VAL A 27 54.827 -2.223 -1.914 1.00 0.00 H new ATOM 0 HA VAL A 27 56.118 -2.904 0.518 1.00 0.00 H new ATOM 0 HB VAL A 27 54.003 -0.764 -0.143 1.00 0.00 H new ATOM 0 HG11 VAL A 27 55.303 0.644 1.431 1.00 0.00 H new ATOM 0 HG12 VAL A 27 54.709 -0.831 2.231 1.00 0.00 H new ATOM 0 HG13 VAL A 27 56.413 -0.715 1.730 1.00 0.00 H new ATOM 0 HG21 VAL A 27 55.899 0.600 -0.996 1.00 0.00 H new ATOM 0 HG22 VAL A 27 57.007 -0.763 -0.708 1.00 0.00 H new ATOM 0 HG23 VAL A 27 55.722 -0.904 -1.931 1.00 0.00 H new ATOM 380 N ASP A 28 54.509 -3.300 2.376 1.00 0.00 N ATOM 381 CA ASP A 28 53.577 -3.860 3.395 1.00 0.00 C ATOM 382 C ASP A 28 54.031 -3.458 4.803 1.00 0.00 C ATOM 383 O ASP A 28 55.177 -3.630 5.170 1.00 0.00 O ATOM 384 CB ASP A 28 53.652 -5.377 3.211 1.00 0.00 C ATOM 385 CG ASP A 28 52.240 -5.966 3.214 1.00 0.00 C ATOM 386 OD1 ASP A 28 51.590 -5.892 4.244 1.00 0.00 O ATOM 387 OD2 ASP A 28 51.833 -6.484 2.186 1.00 0.00 O ATOM 0 H ASP A 28 55.435 -3.055 2.728 1.00 0.00 H new ATOM 0 HA ASP A 28 52.559 -3.489 3.275 1.00 0.00 H new ATOM 0 HB2 ASP A 28 54.154 -5.615 2.273 1.00 0.00 H new ATOM 0 HB3 ASP A 28 54.244 -5.821 4.011 1.00 0.00 H new ATOM 392 N LYS A 29 53.140 -2.919 5.593 1.00 0.00 N ATOM 393 CA LYS A 29 53.519 -2.504 6.976 1.00 0.00 C ATOM 394 C LYS A 29 54.777 -1.634 6.945 1.00 0.00 C ATOM 395 O LYS A 29 55.599 -1.687 7.838 1.00 0.00 O ATOM 396 CB LYS A 29 53.794 -3.813 7.717 1.00 0.00 C ATOM 397 CG LYS A 29 52.471 -4.530 7.985 1.00 0.00 C ATOM 398 CD LYS A 29 52.732 -5.789 8.812 1.00 0.00 C ATOM 399 CE LYS A 29 53.206 -6.918 7.896 1.00 0.00 C ATOM 400 NZ LYS A 29 54.632 -7.138 8.267 1.00 0.00 N ATOM 0 H LYS A 29 52.167 -2.748 5.341 1.00 0.00 H new ATOM 0 HA LYS A 29 52.739 -1.915 7.458 1.00 0.00 H new ATOM 0 HB2 LYS A 29 54.452 -4.449 7.124 1.00 0.00 H new ATOM 0 HB3 LYS A 29 54.308 -3.611 8.657 1.00 0.00 H new ATOM 0 HG2 LYS A 29 51.788 -3.868 8.517 1.00 0.00 H new ATOM 0 HG3 LYS A 29 51.991 -4.794 7.043 1.00 0.00 H new ATOM 0 HD2 LYS A 29 53.484 -5.586 9.574 1.00 0.00 H new ATOM 0 HD3 LYS A 29 51.823 -6.088 9.334 1.00 0.00 H new ATOM 0 HE2 LYS A 29 52.615 -7.822 8.044 1.00 0.00 H new ATOM 0 HE3 LYS A 29 53.109 -6.642 6.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 55.099 -7.705 7.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 55.113 -6.220 8.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 54.681 -7.643 9.175 1.00 0.00 H new ATOM 414 N SER A 30 54.937 -0.835 5.927 1.00 0.00 N ATOM 415 CA SER A 30 56.147 0.032 5.849 1.00 0.00 C ATOM 416 C SER A 30 55.746 1.497 5.696 1.00 0.00 C ATOM 417 O SER A 30 54.629 1.884 5.979 1.00 0.00 O ATOM 418 CB SER A 30 56.898 -0.439 4.607 1.00 0.00 C ATOM 419 OG SER A 30 57.208 -1.818 4.740 1.00 0.00 O ATOM 0 H SER A 30 54.285 -0.744 5.148 1.00 0.00 H new ATOM 0 HA SER A 30 56.756 -0.041 6.750 1.00 0.00 H new ATOM 0 HB2 SER A 30 56.290 -0.275 3.717 1.00 0.00 H new ATOM 0 HB3 SER A 30 57.812 0.140 4.480 1.00 0.00 H new ATOM 0 HG SER A 30 56.380 -2.342 4.729 1.00 0.00 H new ATOM 425 N GLU A 31 56.655 2.313 5.243 1.00 0.00 N ATOM 426 CA GLU A 31 56.336 3.757 5.061 1.00 0.00 C ATOM 427 C GLU A 31 56.931 4.265 3.746 1.00 0.00 C ATOM 428 O GLU A 31 56.221 4.669 2.846 1.00 0.00 O ATOM 429 CB GLU A 31 56.984 4.460 6.253 1.00 0.00 C ATOM 430 CG GLU A 31 56.085 5.608 6.717 1.00 0.00 C ATOM 431 CD GLU A 31 56.294 5.849 8.212 1.00 0.00 C ATOM 432 OE1 GLU A 31 56.093 4.919 8.976 1.00 0.00 O ATOM 433 OE2 GLU A 31 56.650 6.960 8.569 1.00 0.00 O ATOM 0 H GLU A 31 57.606 2.043 4.991 1.00 0.00 H new ATOM 0 HA GLU A 31 55.263 3.942 5.016 1.00 0.00 H new ATOM 0 HB2 GLU A 31 57.137 3.752 7.067 1.00 0.00 H new ATOM 0 HB3 GLU A 31 57.966 4.842 5.974 1.00 0.00 H new ATOM 0 HG2 GLU A 31 56.316 6.514 6.156 1.00 0.00 H new ATOM 0 HG3 GLU A 31 55.040 5.368 6.519 1.00 0.00 H new ATOM 440 N VAL A 32 58.231 4.242 3.627 1.00 0.00 N ATOM 441 CA VAL A 32 58.877 4.717 2.370 1.00 0.00 C ATOM 442 C VAL A 32 58.546 6.195 2.130 1.00 0.00 C ATOM 443 O VAL A 32 57.563 6.708 2.626 1.00 0.00 O ATOM 444 CB VAL A 32 58.290 3.839 1.262 1.00 0.00 C ATOM 445 CG1 VAL A 32 59.069 4.069 -0.031 1.00 0.00 C ATOM 446 CG2 VAL A 32 58.409 2.363 1.655 1.00 0.00 C ATOM 0 H VAL A 32 58.874 3.914 4.347 1.00 0.00 H new ATOM 0 HA VAL A 32 59.964 4.642 2.409 1.00 0.00 H new ATOM 0 HB VAL A 32 57.241 4.097 1.118 1.00 0.00 H new ATOM 0 HG11 VAL A 32 58.653 3.445 -0.822 1.00 0.00 H new ATOM 0 HG12 VAL A 32 58.995 5.118 -0.319 1.00 0.00 H new ATOM 0 HG13 VAL A 32 60.116 3.809 0.124 1.00 0.00 H new ATOM 0 HG21 VAL A 32 57.990 1.741 0.864 1.00 0.00 H new ATOM 0 HG22 VAL A 32 59.459 2.108 1.799 1.00 0.00 H new ATOM 0 HG23 VAL A 32 57.863 2.188 2.582 1.00 0.00 H new ATOM 456 N TYR A 33 59.364 6.885 1.379 1.00 0.00 N ATOM 457 CA TYR A 33 59.098 8.331 1.117 1.00 0.00 C ATOM 458 C TYR A 33 59.731 8.761 -0.214 1.00 0.00 C ATOM 459 O TYR A 33 59.158 9.526 -0.966 1.00 0.00 O ATOM 460 CB TYR A 33 59.755 9.068 2.289 1.00 0.00 C ATOM 461 CG TYR A 33 58.757 9.240 3.408 1.00 0.00 C ATOM 462 CD1 TYR A 33 57.832 10.289 3.365 1.00 0.00 C ATOM 463 CD2 TYR A 33 58.760 8.352 4.492 1.00 0.00 C ATOM 464 CE1 TYR A 33 56.910 10.452 4.405 1.00 0.00 C ATOM 465 CE2 TYR A 33 57.838 8.516 5.532 1.00 0.00 C ATOM 466 CZ TYR A 33 56.913 9.565 5.489 1.00 0.00 C ATOM 467 OH TYR A 33 56.004 9.727 6.515 1.00 0.00 O ATOM 0 H TYR A 33 60.203 6.511 0.936 1.00 0.00 H new ATOM 0 HA TYR A 33 58.033 8.548 1.040 1.00 0.00 H new ATOM 0 HB2 TYR A 33 60.620 8.508 2.644 1.00 0.00 H new ATOM 0 HB3 TYR A 33 60.118 10.042 1.961 1.00 0.00 H new ATOM 0 HD1 TYR A 33 57.830 10.973 2.529 1.00 0.00 H new ATOM 0 HD2 TYR A 33 59.473 7.542 4.525 1.00 0.00 H new ATOM 0 HE1 TYR A 33 56.196 11.262 4.372 1.00 0.00 H new ATOM 0 HE2 TYR A 33 57.840 7.833 6.368 1.00 0.00 H new ATOM 0 HH TYR A 33 56.474 9.708 7.375 1.00 0.00 H new ATOM 477 N GLY A 34 60.906 8.272 -0.510 1.00 0.00 N ATOM 478 CA GLY A 34 61.581 8.646 -1.791 1.00 0.00 C ATOM 479 C GLY A 34 62.350 7.437 -2.327 1.00 0.00 C ATOM 480 O GLY A 34 63.402 7.569 -2.920 1.00 0.00 O ATOM 0 H GLY A 34 61.430 7.627 0.081 1.00 0.00 H new ATOM 0 HA2 GLY A 34 60.843 8.976 -2.522 1.00 0.00 H new ATOM 0 HA3 GLY A 34 62.262 9.481 -1.627 1.00 0.00 H new ATOM 484 N THR A 35 61.833 6.258 -2.114 1.00 0.00 N ATOM 485 CA THR A 35 62.529 5.029 -2.596 1.00 0.00 C ATOM 486 C THR A 35 62.281 4.817 -4.097 1.00 0.00 C ATOM 487 O THR A 35 61.325 5.312 -4.658 1.00 0.00 O ATOM 488 CB THR A 35 61.916 3.893 -1.761 1.00 0.00 C ATOM 489 OG1 THR A 35 62.674 3.727 -0.572 1.00 0.00 O ATOM 490 CG2 THR A 35 61.918 2.580 -2.550 1.00 0.00 C ATOM 0 H THR A 35 60.954 6.091 -1.624 1.00 0.00 H new ATOM 0 HA THR A 35 63.611 5.085 -2.479 1.00 0.00 H new ATOM 0 HB THR A 35 60.886 4.152 -1.517 1.00 0.00 H new ATOM 0 HG1 THR A 35 62.952 4.605 -0.236 1.00 0.00 H new ATOM 0 HG21 THR A 35 61.480 1.789 -1.941 1.00 0.00 H new ATOM 0 HG22 THR A 35 61.333 2.702 -3.462 1.00 0.00 H new ATOM 0 HG23 THR A 35 62.942 2.313 -2.810 1.00 0.00 H new ATOM 498 N THR A 36 63.139 4.073 -4.742 1.00 0.00 N ATOM 499 CA THR A 36 62.963 3.811 -6.200 1.00 0.00 C ATOM 500 C THR A 36 62.610 2.336 -6.428 1.00 0.00 C ATOM 501 O THR A 36 63.216 1.660 -7.234 1.00 0.00 O ATOM 502 CB THR A 36 64.322 4.137 -6.822 1.00 0.00 C ATOM 503 OG1 THR A 36 65.023 5.039 -5.978 1.00 0.00 O ATOM 504 CG2 THR A 36 64.121 4.774 -8.198 1.00 0.00 C ATOM 0 H THR A 36 63.957 3.634 -4.320 1.00 0.00 H new ATOM 0 HA THR A 36 62.160 4.404 -6.637 1.00 0.00 H new ATOM 0 HB THR A 36 64.898 3.219 -6.933 1.00 0.00 H new ATOM 0 HG1 THR A 36 65.723 5.492 -6.493 1.00 0.00 H new ATOM 0 HG21 THR A 36 65.091 5.005 -8.637 1.00 0.00 H new ATOM 0 HG22 THR A 36 63.585 4.080 -8.845 1.00 0.00 H new ATOM 0 HG23 THR A 36 63.543 5.692 -8.093 1.00 0.00 H new ATOM 512 N CYS A 37 61.636 1.833 -5.717 1.00 0.00 N ATOM 513 CA CYS A 37 61.243 0.402 -5.878 1.00 0.00 C ATOM 514 C CYS A 37 61.256 -0.008 -7.352 1.00 0.00 C ATOM 515 O CYS A 37 60.553 0.550 -8.172 1.00 0.00 O ATOM 516 CB CYS A 37 59.822 0.312 -5.325 1.00 0.00 C ATOM 517 SG CYS A 37 59.495 -1.375 -4.751 1.00 0.00 S ATOM 0 H CYS A 37 61.093 2.354 -5.028 1.00 0.00 H new ATOM 0 HA CYS A 37 61.935 -0.262 -5.360 1.00 0.00 H new ATOM 0 HB2 CYS A 37 59.696 1.017 -4.503 1.00 0.00 H new ATOM 0 HB3 CYS A 37 59.103 0.590 -6.096 1.00 0.00 H new ATOM 522 N THR A 38 62.037 -0.995 -7.689 1.00 0.00 N ATOM 523 CA THR A 38 62.084 -1.463 -9.101 1.00 0.00 C ATOM 524 C THR A 38 61.516 -2.881 -9.182 1.00 0.00 C ATOM 525 O THR A 38 61.811 -3.631 -10.090 1.00 0.00 O ATOM 526 CB THR A 38 63.564 -1.459 -9.479 1.00 0.00 C ATOM 527 OG1 THR A 38 64.135 -0.199 -9.149 1.00 0.00 O ATOM 528 CG2 THR A 38 63.703 -1.712 -10.980 1.00 0.00 C ATOM 0 H THR A 38 62.647 -1.499 -7.045 1.00 0.00 H new ATOM 0 HA THR A 38 61.499 -0.833 -9.771 1.00 0.00 H new ATOM 0 HB THR A 38 64.085 -2.243 -8.930 1.00 0.00 H new ATOM 0 HG1 THR A 38 65.085 -0.197 -9.390 1.00 0.00 H new ATOM 0 HG21 THR A 38 64.758 -1.710 -11.253 1.00 0.00 H new ATOM 0 HG22 THR A 38 63.266 -2.679 -11.228 1.00 0.00 H new ATOM 0 HG23 THR A 38 63.184 -0.928 -11.531 1.00 0.00 H new ATOM 536 N GLY A 39 60.708 -3.251 -8.226 1.00 0.00 N ATOM 537 CA GLY A 39 60.121 -4.616 -8.226 1.00 0.00 C ATOM 538 C GLY A 39 60.488 -5.321 -6.918 1.00 0.00 C ATOM 539 O GLY A 39 60.824 -6.488 -6.901 1.00 0.00 O ATOM 0 H GLY A 39 60.429 -2.661 -7.442 1.00 0.00 H new ATOM 0 HA2 GLY A 39 59.038 -4.559 -8.331 1.00 0.00 H new ATOM 0 HA3 GLY A 39 60.494 -5.185 -9.077 1.00 0.00 H new ATOM 543 N SER A 40 60.428 -4.617 -5.817 1.00 0.00 N ATOM 544 CA SER A 40 60.778 -5.245 -4.509 1.00 0.00 C ATOM 545 C SER A 40 59.551 -5.290 -3.594 1.00 0.00 C ATOM 546 O SER A 40 58.425 -5.219 -4.047 1.00 0.00 O ATOM 547 CB SER A 40 61.859 -4.345 -3.914 1.00 0.00 C ATOM 548 OG SER A 40 62.947 -5.147 -3.472 1.00 0.00 O ATOM 0 H SER A 40 60.152 -3.636 -5.768 1.00 0.00 H new ATOM 0 HA SER A 40 61.122 -6.273 -4.625 1.00 0.00 H new ATOM 0 HB2 SER A 40 62.201 -3.627 -4.659 1.00 0.00 H new ATOM 0 HB3 SER A 40 61.453 -3.771 -3.081 1.00 0.00 H new ATOM 0 HG SER A 40 62.881 -6.038 -3.875 1.00 0.00 H new ATOM 554 N ARG A 41 59.758 -5.414 -2.311 1.00 0.00 N ATOM 555 CA ARG A 41 58.596 -5.472 -1.377 1.00 0.00 C ATOM 556 C ARG A 41 59.057 -5.291 0.073 1.00 0.00 C ATOM 557 O ARG A 41 60.113 -5.748 0.462 1.00 0.00 O ATOM 558 CB ARG A 41 58.011 -6.872 -1.579 1.00 0.00 C ATOM 559 CG ARG A 41 57.101 -7.228 -0.401 1.00 0.00 C ATOM 560 CD ARG A 41 56.328 -8.506 -0.725 1.00 0.00 C ATOM 561 NE ARG A 41 55.567 -8.827 0.515 1.00 0.00 N ATOM 562 CZ ARG A 41 54.407 -9.416 0.430 1.00 0.00 C ATOM 563 NH1 ARG A 41 53.561 -9.052 -0.494 1.00 0.00 N ATOM 564 NH2 ARG A 41 54.092 -10.371 1.263 1.00 0.00 N ATOM 0 H ARG A 41 60.676 -5.477 -1.871 1.00 0.00 H new ATOM 0 HA ARG A 41 57.870 -4.683 -1.573 1.00 0.00 H new ATOM 0 HB2 ARG A 41 57.447 -6.909 -2.511 1.00 0.00 H new ATOM 0 HB3 ARG A 41 58.815 -7.603 -1.664 1.00 0.00 H new ATOM 0 HG2 ARG A 41 57.695 -7.368 0.502 1.00 0.00 H new ATOM 0 HG3 ARG A 41 56.408 -6.411 -0.203 1.00 0.00 H new ATOM 0 HD2 ARG A 41 55.657 -8.357 -1.571 1.00 0.00 H new ATOM 0 HD3 ARG A 41 57.004 -9.318 -0.993 1.00 0.00 H new ATOM 0 HE ARG A 41 55.953 -8.587 1.428 1.00 0.00 H new ATOM 0 HH11 ARG A 41 53.808 -8.309 -1.147 1.00 0.00 H new ATOM 0 HH12 ARG A 41 52.653 -9.511 -0.563 1.00 0.00 H new ATOM 0 HH21 ARG A 41 54.754 -10.659 1.983 1.00 0.00 H new ATOM 0 HH22 ARG A 41 53.183 -10.829 1.193 1.00 0.00 H new ATOM 578 N PHE A 42 58.260 -4.645 0.881 1.00 0.00 N ATOM 579 CA PHE A 42 58.637 -4.455 2.312 1.00 0.00 C ATOM 580 C PHE A 42 57.642 -5.207 3.202 1.00 0.00 C ATOM 581 O PHE A 42 56.649 -5.724 2.729 1.00 0.00 O ATOM 582 CB PHE A 42 58.560 -2.945 2.558 1.00 0.00 C ATOM 583 CG PHE A 42 59.343 -2.221 1.488 1.00 0.00 C ATOM 584 CD1 PHE A 42 60.493 -2.806 0.941 1.00 0.00 C ATOM 585 CD2 PHE A 42 58.917 -0.966 1.040 1.00 0.00 C ATOM 586 CE1 PHE A 42 61.215 -2.135 -0.052 1.00 0.00 C ATOM 587 CE2 PHE A 42 59.639 -0.294 0.046 1.00 0.00 C ATOM 588 CZ PHE A 42 60.788 -0.879 -0.501 1.00 0.00 C ATOM 0 H PHE A 42 57.363 -4.240 0.612 1.00 0.00 H new ATOM 0 HA PHE A 42 59.632 -4.839 2.539 1.00 0.00 H new ATOM 0 HB2 PHE A 42 57.521 -2.617 2.548 1.00 0.00 H new ATOM 0 HB3 PHE A 42 58.961 -2.705 3.543 1.00 0.00 H new ATOM 0 HD1 PHE A 42 60.822 -3.775 1.286 1.00 0.00 H new ATOM 0 HD2 PHE A 42 58.031 -0.515 1.461 1.00 0.00 H new ATOM 0 HE1 PHE A 42 62.102 -2.586 -0.472 1.00 0.00 H new ATOM 0 HE2 PHE A 42 59.310 0.675 -0.299 1.00 0.00 H new ATOM 0 HZ PHE A 42 61.344 -0.362 -1.269 1.00 0.00 H new ATOM 598 N ASP A 43 57.894 -5.284 4.480 1.00 0.00 N ATOM 599 CA ASP A 43 56.950 -6.015 5.377 1.00 0.00 C ATOM 600 C ASP A 43 57.156 -5.587 6.830 1.00 0.00 C ATOM 601 O ASP A 43 57.165 -6.400 7.734 1.00 0.00 O ATOM 602 CB ASP A 43 57.293 -7.495 5.193 1.00 0.00 C ATOM 603 CG ASP A 43 56.031 -8.273 4.805 1.00 0.00 C ATOM 604 OD1 ASP A 43 55.155 -8.399 5.644 1.00 0.00 O ATOM 605 OD2 ASP A 43 55.964 -8.732 3.676 1.00 0.00 O ATOM 0 H ASP A 43 58.707 -4.876 4.941 1.00 0.00 H new ATOM 0 HA ASP A 43 55.908 -5.807 5.135 1.00 0.00 H new ATOM 0 HB2 ASP A 43 58.054 -7.609 4.421 1.00 0.00 H new ATOM 0 HB3 ASP A 43 57.712 -7.899 6.115 1.00 0.00 H new ATOM 610 N GLY A 44 57.318 -4.316 7.058 1.00 0.00 N ATOM 611 CA GLY A 44 57.520 -3.829 8.449 1.00 0.00 C ATOM 612 C GLY A 44 58.786 -2.972 8.500 1.00 0.00 C ATOM 613 O GLY A 44 59.710 -3.260 9.235 1.00 0.00 O ATOM 0 H GLY A 44 57.319 -3.592 6.340 1.00 0.00 H new ATOM 0 HA2 GLY A 44 56.658 -3.246 8.772 1.00 0.00 H new ATOM 0 HA3 GLY A 44 57.609 -4.673 9.134 1.00 0.00 H new ATOM 617 N VAL A 45 58.846 -1.932 7.710 1.00 0.00 N ATOM 618 CA VAL A 45 60.072 -1.080 7.711 1.00 0.00 C ATOM 619 C VAL A 45 59.707 0.406 7.704 1.00 0.00 C ATOM 620 O VAL A 45 58.560 0.783 7.840 1.00 0.00 O ATOM 621 CB VAL A 45 60.829 -1.457 6.423 1.00 0.00 C ATOM 622 CG1 VAL A 45 60.638 -2.941 6.119 1.00 0.00 C ATOM 623 CG2 VAL A 45 60.302 -0.645 5.237 1.00 0.00 C ATOM 0 H VAL A 45 58.108 -1.638 7.071 1.00 0.00 H new ATOM 0 HA VAL A 45 60.675 -1.245 8.604 1.00 0.00 H new ATOM 0 HB VAL A 45 61.886 -1.240 6.575 1.00 0.00 H new ATOM 0 HG11 VAL A 45 61.177 -3.198 5.207 1.00 0.00 H new ATOM 0 HG12 VAL A 45 61.024 -3.535 6.948 1.00 0.00 H new ATOM 0 HG13 VAL A 45 59.577 -3.151 5.985 1.00 0.00 H new ATOM 0 HG21 VAL A 45 60.847 -0.923 4.335 1.00 0.00 H new ATOM 0 HG22 VAL A 45 59.241 -0.851 5.098 1.00 0.00 H new ATOM 0 HG23 VAL A 45 60.443 0.418 5.433 1.00 0.00 H new ATOM 633 N THR A 46 60.687 1.246 7.525 1.00 0.00 N ATOM 634 CA THR A 46 60.434 2.711 7.482 1.00 0.00 C ATOM 635 C THR A 46 61.517 3.376 6.632 1.00 0.00 C ATOM 636 O THR A 46 62.240 4.238 7.091 1.00 0.00 O ATOM 637 CB THR A 46 60.521 3.182 8.937 1.00 0.00 C ATOM 638 OG1 THR A 46 59.568 2.472 9.719 1.00 0.00 O ATOM 639 CG2 THR A 46 60.225 4.681 9.011 1.00 0.00 C ATOM 0 H THR A 46 61.663 0.976 7.405 1.00 0.00 H new ATOM 0 HA THR A 46 59.467 2.962 7.045 1.00 0.00 H new ATOM 0 HB THR A 46 61.524 2.993 9.320 1.00 0.00 H new ATOM 0 HG1 THR A 46 59.622 2.770 10.651 1.00 0.00 H new ATOM 0 HG21 THR A 46 60.288 5.013 10.047 1.00 0.00 H new ATOM 0 HG22 THR A 46 60.953 5.226 8.410 1.00 0.00 H new ATOM 0 HG23 THR A 46 59.223 4.873 8.628 1.00 0.00 H new ATOM 647 N ILE A 47 61.644 2.972 5.394 1.00 0.00 N ATOM 648 CA ILE A 47 62.689 3.572 4.521 1.00 0.00 C ATOM 649 C ILE A 47 62.202 4.904 3.958 1.00 0.00 C ATOM 650 O ILE A 47 61.043 5.255 4.067 1.00 0.00 O ATOM 651 CB ILE A 47 62.904 2.557 3.393 1.00 0.00 C ATOM 652 CG1 ILE A 47 63.871 3.140 2.354 1.00 0.00 C ATOM 653 CG2 ILE A 47 61.567 2.245 2.719 1.00 0.00 C ATOM 654 CD1 ILE A 47 64.199 2.079 1.299 1.00 0.00 C ATOM 0 H ILE A 47 61.069 2.254 4.953 1.00 0.00 H new ATOM 0 HA ILE A 47 63.612 3.774 5.064 1.00 0.00 H new ATOM 0 HB ILE A 47 63.324 1.642 3.810 1.00 0.00 H new ATOM 0 HG12 ILE A 47 63.425 4.014 1.878 1.00 0.00 H new ATOM 0 HG13 ILE A 47 64.786 3.475 2.843 1.00 0.00 H new ATOM 0 HG21 ILE A 47 61.723 1.523 1.917 1.00 0.00 H new ATOM 0 HG22 ILE A 47 60.878 1.828 3.453 1.00 0.00 H new ATOM 0 HG23 ILE A 47 61.146 3.161 2.305 1.00 0.00 H new ATOM 0 HD11 ILE A 47 64.886 2.498 0.563 1.00 0.00 H new ATOM 0 HD12 ILE A 47 64.663 1.218 1.781 1.00 0.00 H new ATOM 0 HD13 ILE A 47 63.282 1.765 0.801 1.00 0.00 H new ATOM 666 N THR A 48 63.081 5.648 3.354 1.00 0.00 N ATOM 667 CA THR A 48 62.684 6.958 2.775 1.00 0.00 C ATOM 668 C THR A 48 63.500 7.212 1.514 1.00 0.00 C ATOM 669 O THR A 48 63.749 6.311 0.736 1.00 0.00 O ATOM 670 CB THR A 48 63.028 7.991 3.848 1.00 0.00 C ATOM 671 OG1 THR A 48 64.436 8.024 4.037 1.00 0.00 O ATOM 672 CG2 THR A 48 62.348 7.612 5.159 1.00 0.00 C ATOM 0 H THR A 48 64.064 5.404 3.236 1.00 0.00 H new ATOM 0 HA THR A 48 61.629 6.998 2.504 1.00 0.00 H new ATOM 0 HB THR A 48 62.679 8.974 3.531 1.00 0.00 H new ATOM 0 HG1 THR A 48 64.658 8.687 4.724 1.00 0.00 H new ATOM 0 HG21 THR A 48 62.594 8.349 5.923 1.00 0.00 H new ATOM 0 HG22 THR A 48 61.268 7.586 5.014 1.00 0.00 H new ATOM 0 HG23 THR A 48 62.695 6.629 5.478 1.00 0.00 H new ATOM 680 N THR A 49 63.937 8.418 1.309 1.00 0.00 N ATOM 681 CA THR A 49 64.756 8.697 0.103 1.00 0.00 C ATOM 682 C THR A 49 65.921 7.711 0.052 1.00 0.00 C ATOM 683 O THR A 49 66.964 7.952 0.616 1.00 0.00 O ATOM 684 CB THR A 49 65.278 10.119 0.294 1.00 0.00 C ATOM 685 OG1 THR A 49 64.186 11.001 0.510 1.00 0.00 O ATOM 686 CG2 THR A 49 66.047 10.540 -0.955 1.00 0.00 C ATOM 0 H THR A 49 63.765 9.217 1.919 1.00 0.00 H new ATOM 0 HA THR A 49 64.190 8.597 -0.823 1.00 0.00 H new ATOM 0 HB THR A 49 65.941 10.157 1.159 1.00 0.00 H new ATOM 0 HG1 THR A 49 64.522 11.913 0.634 1.00 0.00 H new ATOM 0 HG21 THR A 49 66.423 11.555 -0.826 1.00 0.00 H new ATOM 0 HG22 THR A 49 66.884 9.860 -1.113 1.00 0.00 H new ATOM 0 HG23 THR A 49 65.384 10.506 -1.819 1.00 0.00 H new ATOM 694 N SER A 50 65.750 6.597 -0.602 1.00 0.00 N ATOM 695 CA SER A 50 66.857 5.601 -0.666 1.00 0.00 C ATOM 696 C SER A 50 66.741 4.761 -1.937 1.00 0.00 C ATOM 697 O SER A 50 65.660 4.429 -2.380 1.00 0.00 O ATOM 698 CB SER A 50 66.676 4.721 0.571 1.00 0.00 C ATOM 699 OG SER A 50 67.373 5.303 1.665 1.00 0.00 O ATOM 0 H SER A 50 64.896 6.333 -1.093 1.00 0.00 H new ATOM 0 HA SER A 50 67.836 6.079 -0.687 1.00 0.00 H new ATOM 0 HB2 SER A 50 65.617 4.622 0.810 1.00 0.00 H new ATOM 0 HB3 SER A 50 67.054 3.717 0.376 1.00 0.00 H new ATOM 0 HG SER A 50 66.729 5.606 2.339 1.00 0.00 H new ATOM 705 N THR A 51 67.850 4.411 -2.525 1.00 0.00 N ATOM 706 CA THR A 51 67.800 3.588 -3.766 1.00 0.00 C ATOM 707 C THR A 51 68.040 2.117 -3.430 1.00 0.00 C ATOM 708 O THR A 51 68.922 1.780 -2.668 1.00 0.00 O ATOM 709 CB THR A 51 68.922 4.125 -4.651 1.00 0.00 C ATOM 710 OG1 THR A 51 69.092 5.514 -4.408 1.00 0.00 O ATOM 711 CG2 THR A 51 68.567 3.901 -6.122 1.00 0.00 C ATOM 0 H THR A 51 68.786 4.658 -2.202 1.00 0.00 H new ATOM 0 HA THR A 51 66.831 3.649 -4.261 1.00 0.00 H new ATOM 0 HB THR A 51 69.849 3.600 -4.420 1.00 0.00 H new ATOM 0 HG1 THR A 51 69.696 5.892 -5.080 1.00 0.00 H new ATOM 0 HG21 THR A 51 69.369 4.285 -6.752 1.00 0.00 H new ATOM 0 HG22 THR A 51 68.439 2.834 -6.307 1.00 0.00 H new ATOM 0 HG23 THR A 51 67.640 4.424 -6.356 1.00 0.00 H new ATOM 719 N SER A 52 67.260 1.240 -3.989 1.00 0.00 N ATOM 720 CA SER A 52 67.444 -0.211 -3.701 1.00 0.00 C ATOM 721 C SER A 52 66.886 -1.056 -4.849 1.00 0.00 C ATOM 722 O SER A 52 65.773 -0.859 -5.291 1.00 0.00 O ATOM 723 CB SER A 52 66.646 -0.460 -2.420 1.00 0.00 C ATOM 724 OG SER A 52 65.255 -0.403 -2.715 1.00 0.00 O ATOM 0 H SER A 52 66.502 1.462 -4.634 1.00 0.00 H new ATOM 0 HA SER A 52 68.495 -0.480 -3.591 1.00 0.00 H new ATOM 0 HB2 SER A 52 66.901 -1.434 -2.002 1.00 0.00 H new ATOM 0 HB3 SER A 52 66.901 0.287 -1.668 1.00 0.00 H new ATOM 0 HG SER A 52 65.127 -0.386 -3.686 1.00 0.00 H new ATOM 730 N THR A 53 67.647 -2.002 -5.333 1.00 0.00 N ATOM 731 CA THR A 53 67.140 -2.856 -6.446 1.00 0.00 C ATOM 732 C THR A 53 66.922 -4.283 -5.946 1.00 0.00 C ATOM 733 O THR A 53 67.855 -4.979 -5.603 1.00 0.00 O ATOM 734 CB THR A 53 68.235 -2.824 -7.511 1.00 0.00 C ATOM 735 OG1 THR A 53 68.650 -1.482 -7.723 1.00 0.00 O ATOM 736 CG2 THR A 53 67.691 -3.407 -8.817 1.00 0.00 C ATOM 0 H THR A 53 68.590 -2.219 -5.009 1.00 0.00 H new ATOM 0 HA THR A 53 66.187 -2.501 -6.838 1.00 0.00 H new ATOM 0 HB THR A 53 69.087 -3.417 -7.177 1.00 0.00 H new ATOM 0 HG1 THR A 53 69.354 -1.461 -8.405 1.00 0.00 H new ATOM 0 HG21 THR A 53 68.471 -3.385 -9.578 1.00 0.00 H new ATOM 0 HG22 THR A 53 67.374 -4.437 -8.652 1.00 0.00 H new ATOM 0 HG23 THR A 53 66.840 -2.815 -9.153 1.00 0.00 H new ATOM 744 N GLY A 54 65.694 -4.721 -5.893 1.00 0.00 N ATOM 745 CA GLY A 54 65.422 -6.101 -5.402 1.00 0.00 C ATOM 746 C GLY A 54 66.071 -6.278 -4.030 1.00 0.00 C ATOM 747 O GLY A 54 67.190 -6.739 -3.916 1.00 0.00 O ATOM 0 H GLY A 54 64.870 -4.185 -6.167 1.00 0.00 H new ATOM 0 HA2 GLY A 54 64.348 -6.272 -5.335 1.00 0.00 H new ATOM 0 HA3 GLY A 54 65.818 -6.835 -6.103 1.00 0.00 H new ATOM 751 N SER A 55 65.381 -5.908 -2.985 1.00 0.00 N ATOM 752 CA SER A 55 65.964 -6.047 -1.620 1.00 0.00 C ATOM 753 C SER A 55 64.854 -6.166 -0.572 1.00 0.00 C ATOM 754 O SER A 55 64.122 -5.230 -0.320 1.00 0.00 O ATOM 755 CB SER A 55 66.769 -4.766 -1.406 1.00 0.00 C ATOM 756 OG SER A 55 65.901 -3.645 -1.503 1.00 0.00 O ATOM 0 H SER A 55 64.440 -5.516 -3.018 1.00 0.00 H new ATOM 0 HA SER A 55 66.581 -6.941 -1.525 1.00 0.00 H new ATOM 0 HB2 SER A 55 67.250 -4.784 -0.428 1.00 0.00 H new ATOM 0 HB3 SER A 55 67.562 -4.692 -2.150 1.00 0.00 H new ATOM 0 HG SER A 55 65.028 -3.873 -1.120 1.00 0.00 H new ATOM 762 N ARG A 56 64.729 -7.311 0.044 1.00 0.00 N ATOM 763 CA ARG A 56 63.672 -7.496 1.081 1.00 0.00 C ATOM 764 C ARG A 56 63.983 -6.619 2.295 1.00 0.00 C ATOM 765 O ARG A 56 65.005 -6.767 2.932 1.00 0.00 O ATOM 766 CB ARG A 56 63.739 -8.977 1.455 1.00 0.00 C ATOM 767 CG ARG A 56 62.578 -9.328 2.388 1.00 0.00 C ATOM 768 CD ARG A 56 62.095 -10.748 2.087 1.00 0.00 C ATOM 769 NE ARG A 56 61.608 -11.274 3.392 1.00 0.00 N ATOM 770 CZ ARG A 56 61.671 -12.553 3.646 1.00 0.00 C ATOM 771 NH1 ARG A 56 62.812 -13.182 3.562 1.00 0.00 N ATOM 772 NH2 ARG A 56 60.594 -13.204 3.989 1.00 0.00 N ATOM 0 H ARG A 56 65.315 -8.128 -0.127 1.00 0.00 H new ATOM 0 HA ARG A 56 62.681 -7.215 0.725 1.00 0.00 H new ATOM 0 HB2 ARG A 56 63.694 -9.591 0.556 1.00 0.00 H new ATOM 0 HB3 ARG A 56 64.689 -9.196 1.943 1.00 0.00 H new ATOM 0 HG2 ARG A 56 62.897 -9.253 3.428 1.00 0.00 H new ATOM 0 HG3 ARG A 56 61.762 -8.618 2.254 1.00 0.00 H new ATOM 0 HD2 ARG A 56 61.300 -10.745 1.341 1.00 0.00 H new ATOM 0 HD3 ARG A 56 62.902 -11.364 1.690 1.00 0.00 H new ATOM 0 HE ARG A 56 61.225 -10.635 4.088 1.00 0.00 H new ATOM 0 HH11 ARG A 56 63.656 -12.674 3.298 1.00 0.00 H new ATOM 0 HH12 ARG A 56 62.859 -14.181 3.761 1.00 0.00 H new ATOM 0 HH21 ARG A 56 59.702 -12.714 4.059 1.00 0.00 H new ATOM 0 HH22 ARG A 56 60.644 -14.203 4.187 1.00 0.00 H new ATOM 786 N ILE A 57 63.115 -5.700 2.617 1.00 0.00 N ATOM 787 CA ILE A 57 63.377 -4.812 3.783 1.00 0.00 C ATOM 788 C ILE A 57 62.643 -5.318 5.029 1.00 0.00 C ATOM 789 O ILE A 57 62.563 -4.634 6.030 1.00 0.00 O ATOM 790 CB ILE A 57 62.841 -3.445 3.356 1.00 0.00 C ATOM 791 CG1 ILE A 57 63.361 -3.108 1.955 1.00 0.00 C ATOM 792 CG2 ILE A 57 63.325 -2.383 4.340 1.00 0.00 C ATOM 793 CD1 ILE A 57 64.891 -3.079 1.969 1.00 0.00 C ATOM 0 H ILE A 57 62.239 -5.526 2.125 1.00 0.00 H new ATOM 0 HA ILE A 57 64.434 -4.778 4.045 1.00 0.00 H new ATOM 0 HB ILE A 57 61.751 -3.468 3.346 1.00 0.00 H new ATOM 0 HG12 ILE A 57 63.008 -3.848 1.237 1.00 0.00 H new ATOM 0 HG13 ILE A 57 62.972 -2.142 1.634 1.00 0.00 H new ATOM 0 HG21 ILE A 57 62.945 -1.407 4.038 1.00 0.00 H new ATOM 0 HG22 ILE A 57 62.962 -2.621 5.340 1.00 0.00 H new ATOM 0 HG23 ILE A 57 64.415 -2.362 4.345 1.00 0.00 H new ATOM 0 HD11 ILE A 57 65.260 -2.839 0.972 1.00 0.00 H new ATOM 0 HD12 ILE A 57 65.234 -2.322 2.674 1.00 0.00 H new ATOM 0 HD13 ILE A 57 65.271 -4.055 2.271 1.00 0.00 H new ATOM 805 N SER A 58 62.109 -6.511 4.979 1.00 0.00 N ATOM 806 CA SER A 58 61.383 -7.056 6.166 1.00 0.00 C ATOM 807 C SER A 58 62.130 -6.704 7.454 1.00 0.00 C ATOM 808 O SER A 58 63.343 -6.658 7.484 1.00 0.00 O ATOM 809 CB SER A 58 61.372 -8.570 5.963 1.00 0.00 C ATOM 810 OG SER A 58 60.124 -8.970 5.407 1.00 0.00 O ATOM 0 H SER A 58 62.144 -7.131 4.170 1.00 0.00 H new ATOM 0 HA SER A 58 60.378 -6.644 6.255 1.00 0.00 H new ATOM 0 HB2 SER A 58 62.187 -8.864 5.301 1.00 0.00 H new ATOM 0 HB3 SER A 58 61.536 -9.076 6.915 1.00 0.00 H new ATOM 0 HG SER A 58 59.986 -9.927 5.567 1.00 0.00 H new ATOM 816 N GLY A 59 61.417 -6.457 8.519 1.00 0.00 N ATOM 817 CA GLY A 59 62.096 -6.115 9.799 1.00 0.00 C ATOM 818 C GLY A 59 61.056 -5.753 10.858 1.00 0.00 C ATOM 819 O GLY A 59 60.031 -5.175 10.555 1.00 0.00 O ATOM 0 H GLY A 59 60.398 -6.477 8.557 1.00 0.00 H new ATOM 0 HA2 GLY A 59 62.696 -6.959 10.139 1.00 0.00 H new ATOM 0 HA3 GLY A 59 62.779 -5.279 9.647 1.00 0.00 H new ATOM 823 N PRO A 60 61.364 -6.103 12.076 1.00 0.00 N ATOM 824 CA PRO A 60 60.457 -5.808 13.206 1.00 0.00 C ATOM 825 C PRO A 60 60.632 -4.349 13.639 1.00 0.00 C ATOM 826 O PRO A 60 60.005 -3.882 14.569 1.00 0.00 O ATOM 827 CB PRO A 60 60.925 -6.767 14.296 1.00 0.00 C ATOM 828 CG PRO A 60 62.360 -7.065 13.979 1.00 0.00 C ATOM 829 CD PRO A 60 62.579 -6.798 12.508 1.00 0.00 C ATOM 0 HA PRO A 60 59.401 -5.935 12.968 1.00 0.00 H new ATOM 0 HB2 PRO A 60 60.827 -6.316 15.284 1.00 0.00 H new ATOM 0 HB3 PRO A 60 60.327 -7.678 14.300 1.00 0.00 H new ATOM 0 HG2 PRO A 60 63.021 -6.442 14.582 1.00 0.00 H new ATOM 0 HG3 PRO A 60 62.595 -8.102 14.217 1.00 0.00 H new ATOM 0 HD2 PRO A 60 63.466 -6.186 12.344 1.00 0.00 H new ATOM 0 HD3 PRO A 60 62.724 -7.725 11.954 1.00 0.00 H new ATOM 837 N GLY A 61 61.485 -3.630 12.962 1.00 0.00 N ATOM 838 CA GLY A 61 61.722 -2.203 13.311 1.00 0.00 C ATOM 839 C GLY A 61 62.728 -1.625 12.316 1.00 0.00 C ATOM 840 O GLY A 61 63.536 -0.779 12.650 1.00 0.00 O ATOM 0 H GLY A 61 62.033 -3.975 12.174 1.00 0.00 H new ATOM 0 HA2 GLY A 61 60.787 -1.643 13.274 1.00 0.00 H new ATOM 0 HA3 GLY A 61 62.104 -2.120 14.329 1.00 0.00 H new ATOM 844 N CYS A 62 62.689 -2.088 11.096 1.00 0.00 N ATOM 845 CA CYS A 62 63.646 -1.586 10.071 1.00 0.00 C ATOM 846 C CYS A 62 63.474 -0.081 9.858 1.00 0.00 C ATOM 847 O CYS A 62 62.408 0.472 10.045 1.00 0.00 O ATOM 848 CB CYS A 62 63.291 -2.344 8.789 1.00 0.00 C ATOM 849 SG CYS A 62 64.775 -3.133 8.114 1.00 0.00 S ATOM 0 H CYS A 62 62.033 -2.795 10.765 1.00 0.00 H new ATOM 0 HA CYS A 62 64.681 -1.745 10.373 1.00 0.00 H new ATOM 0 HB2 CYS A 62 62.531 -3.097 8.999 1.00 0.00 H new ATOM 0 HB3 CYS A 62 62.867 -1.658 8.056 1.00 0.00 H new ATOM 854 N LYS A 63 64.523 0.576 9.452 1.00 0.00 N ATOM 855 CA LYS A 63 64.453 2.040 9.198 1.00 0.00 C ATOM 856 C LYS A 63 65.567 2.431 8.229 1.00 0.00 C ATOM 857 O LYS A 63 66.736 2.332 8.546 1.00 0.00 O ATOM 858 CB LYS A 63 64.671 2.709 10.554 1.00 0.00 C ATOM 859 CG LYS A 63 64.851 4.215 10.343 1.00 0.00 C ATOM 860 CD LYS A 63 64.984 4.914 11.696 1.00 0.00 C ATOM 861 CE LYS A 63 63.873 5.957 11.838 1.00 0.00 C ATOM 862 NZ LYS A 63 62.646 5.167 12.130 1.00 0.00 N ATOM 0 H LYS A 63 65.437 0.155 9.283 1.00 0.00 H new ATOM 0 HA LYS A 63 63.502 2.340 8.759 1.00 0.00 H new ATOM 0 HB2 LYS A 63 63.820 2.519 11.209 1.00 0.00 H new ATOM 0 HB3 LYS A 63 65.550 2.290 11.044 1.00 0.00 H new ATOM 0 HG2 LYS A 63 65.737 4.403 9.737 1.00 0.00 H new ATOM 0 HG3 LYS A 63 63.999 4.620 9.796 1.00 0.00 H new ATOM 0 HD2 LYS A 63 64.919 4.184 12.503 1.00 0.00 H new ATOM 0 HD3 LYS A 63 65.960 5.392 11.777 1.00 0.00 H new ATOM 0 HE2 LYS A 63 64.091 6.661 12.641 1.00 0.00 H new ATOM 0 HE3 LYS A 63 63.760 6.541 10.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 61.868 5.812 12.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 62.384 4.610 11.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 62.828 4.526 12.928 1.00 0.00 H new ATOM 876 N ILE A 64 65.225 2.860 7.048 1.00 0.00 N ATOM 877 CA ILE A 64 66.283 3.235 6.070 1.00 0.00 C ATOM 878 C ILE A 64 66.167 4.708 5.681 1.00 0.00 C ATOM 879 O ILE A 64 65.092 5.274 5.638 1.00 0.00 O ATOM 880 CB ILE A 64 66.039 2.330 4.863 1.00 0.00 C ATOM 881 CG1 ILE A 64 66.440 0.900 5.228 1.00 0.00 C ATOM 882 CG2 ILE A 64 66.882 2.800 3.672 1.00 0.00 C ATOM 883 CD1 ILE A 64 65.262 -0.039 4.978 1.00 0.00 C ATOM 0 H ILE A 64 64.266 2.967 6.718 1.00 0.00 H new ATOM 0 HA ILE A 64 67.285 3.108 6.480 1.00 0.00 H new ATOM 0 HB ILE A 64 64.984 2.369 4.590 1.00 0.00 H new ATOM 0 HG12 ILE A 64 67.299 0.589 4.634 1.00 0.00 H new ATOM 0 HG13 ILE A 64 66.742 0.851 6.274 1.00 0.00 H new ATOM 0 HG21 ILE A 64 66.700 2.148 2.818 1.00 0.00 H new ATOM 0 HG22 ILE A 64 66.608 3.823 3.413 1.00 0.00 H new ATOM 0 HG23 ILE A 64 67.939 2.764 3.937 1.00 0.00 H new ATOM 0 HD11 ILE A 64 65.548 -1.058 5.238 1.00 0.00 H new ATOM 0 HD12 ILE A 64 64.415 0.268 5.592 1.00 0.00 H new ATOM 0 HD13 ILE A 64 64.981 0.002 3.926 1.00 0.00 H new ATOM 895 N SER A 65 67.277 5.322 5.387 1.00 0.00 N ATOM 896 CA SER A 65 67.271 6.756 4.981 1.00 0.00 C ATOM 897 C SER A 65 68.462 7.019 4.057 1.00 0.00 C ATOM 898 O SER A 65 69.604 6.867 4.443 1.00 0.00 O ATOM 899 CB SER A 65 67.402 7.554 6.280 1.00 0.00 C ATOM 900 OG SER A 65 67.295 6.675 7.393 1.00 0.00 O ATOM 0 H SER A 65 68.200 4.887 5.411 1.00 0.00 H new ATOM 0 HA SER A 65 66.366 7.036 4.442 1.00 0.00 H new ATOM 0 HB2 SER A 65 68.360 8.073 6.305 1.00 0.00 H new ATOM 0 HB3 SER A 65 66.625 8.317 6.330 1.00 0.00 H new ATOM 0 HG SER A 65 67.381 7.187 8.224 1.00 0.00 H new ATOM 906 N THR A 66 68.207 7.395 2.834 1.00 0.00 N ATOM 907 CA THR A 66 69.334 7.645 1.886 1.00 0.00 C ATOM 908 C THR A 66 70.277 6.439 1.888 1.00 0.00 C ATOM 909 O THR A 66 71.377 6.498 2.397 1.00 0.00 O ATOM 910 CB THR A 66 70.046 8.889 2.413 1.00 0.00 C ATOM 911 OG1 THR A 66 69.098 9.757 3.026 1.00 0.00 O ATOM 912 CG2 THR A 66 70.723 9.609 1.247 1.00 0.00 C ATOM 0 H THR A 66 67.273 7.540 2.450 1.00 0.00 H new ATOM 0 HA THR A 66 68.992 7.792 0.862 1.00 0.00 H new ATOM 0 HB THR A 66 70.795 8.600 3.150 1.00 0.00 H new ATOM 0 HG1 THR A 66 69.556 10.554 3.365 1.00 0.00 H new ATOM 0 HG21 THR A 66 71.234 10.499 1.616 1.00 0.00 H new ATOM 0 HG22 THR A 66 71.448 8.942 0.779 1.00 0.00 H new ATOM 0 HG23 THR A 66 69.971 9.900 0.513 1.00 0.00 H new ATOM 920 N CYS A 67 69.844 5.344 1.330 1.00 0.00 N ATOM 921 CA CYS A 67 70.698 4.117 1.306 1.00 0.00 C ATOM 922 C CYS A 67 70.590 3.416 -0.050 1.00 0.00 C ATOM 923 O CYS A 67 69.566 2.854 -0.381 1.00 0.00 O ATOM 924 CB CYS A 67 70.109 3.214 2.386 1.00 0.00 C ATOM 925 SG CYS A 67 70.546 3.849 4.018 1.00 0.00 S ATOM 0 H CYS A 67 68.931 5.242 0.886 1.00 0.00 H new ATOM 0 HA CYS A 67 71.749 4.351 1.472 1.00 0.00 H new ATOM 0 HB2 CYS A 67 69.025 3.167 2.282 1.00 0.00 H new ATOM 0 HB3 CYS A 67 70.485 2.198 2.268 1.00 0.00 H new ATOM 930 N ILE A 68 71.632 3.424 -0.831 1.00 0.00 N ATOM 931 CA ILE A 68 71.566 2.733 -2.148 1.00 0.00 C ATOM 932 C ILE A 68 71.718 1.229 -1.940 1.00 0.00 C ATOM 933 O ILE A 68 72.538 0.782 -1.161 1.00 0.00 O ATOM 934 CB ILE A 68 72.736 3.280 -2.954 1.00 0.00 C ATOM 935 CG1 ILE A 68 72.529 4.797 -3.154 1.00 0.00 C ATOM 936 CG2 ILE A 68 72.808 2.532 -4.293 1.00 0.00 C ATOM 937 CD1 ILE A 68 72.313 5.135 -4.631 1.00 0.00 C ATOM 0 H ILE A 68 72.521 3.876 -0.617 1.00 0.00 H new ATOM 0 HA ILE A 68 70.618 2.902 -2.659 1.00 0.00 H new ATOM 0 HB ILE A 68 73.681 3.130 -2.432 1.00 0.00 H new ATOM 0 HG12 ILE A 68 71.669 5.129 -2.572 1.00 0.00 H new ATOM 0 HG13 ILE A 68 73.397 5.338 -2.777 1.00 0.00 H new ATOM 0 HG21 ILE A 68 73.643 2.915 -4.880 1.00 0.00 H new ATOM 0 HG22 ILE A 68 72.953 1.468 -4.108 1.00 0.00 H new ATOM 0 HG23 ILE A 68 71.879 2.681 -4.843 1.00 0.00 H new ATOM 0 HD11 ILE A 68 72.170 6.210 -4.741 1.00 0.00 H new ATOM 0 HD12 ILE A 68 73.185 4.824 -5.207 1.00 0.00 H new ATOM 0 HD13 ILE A 68 71.430 4.612 -4.999 1.00 0.00 H new ATOM 949 N ILE A 69 70.932 0.441 -2.613 1.00 0.00 N ATOM 950 CA ILE A 69 71.039 -1.030 -2.425 1.00 0.00 C ATOM 951 C ILE A 69 70.733 -1.758 -3.739 1.00 0.00 C ATOM 952 O ILE A 69 70.095 -1.223 -4.625 1.00 0.00 O ATOM 953 CB ILE A 69 70.001 -1.368 -1.349 1.00 0.00 C ATOM 954 CG1 ILE A 69 70.042 -0.301 -0.243 1.00 0.00 C ATOM 955 CG2 ILE A 69 70.319 -2.738 -0.743 1.00 0.00 C ATOM 956 CD1 ILE A 69 68.958 -0.589 0.795 1.00 0.00 C ATOM 0 H ILE A 69 70.225 0.748 -3.281 1.00 0.00 H new ATOM 0 HA ILE A 69 72.041 -1.340 -2.128 1.00 0.00 H new ATOM 0 HB ILE A 69 69.008 -1.390 -1.799 1.00 0.00 H new ATOM 0 HG12 ILE A 69 71.022 -0.296 0.234 1.00 0.00 H new ATOM 0 HG13 ILE A 69 69.892 0.689 -0.674 1.00 0.00 H new ATOM 0 HG21 ILE A 69 69.581 -2.978 0.022 1.00 0.00 H new ATOM 0 HG22 ILE A 69 70.291 -3.497 -1.525 1.00 0.00 H new ATOM 0 HG23 ILE A 69 71.312 -2.716 -0.294 1.00 0.00 H new ATOM 0 HD11 ILE A 69 68.992 0.170 1.576 1.00 0.00 H new ATOM 0 HD12 ILE A 69 67.980 -0.572 0.314 1.00 0.00 H new ATOM 0 HD13 ILE A 69 69.128 -1.571 1.236 1.00 0.00 H new ATOM 968 N THR A 70 71.190 -2.973 -3.873 1.00 0.00 N ATOM 969 CA THR A 70 70.934 -3.737 -5.130 1.00 0.00 C ATOM 970 C THR A 70 71.022 -5.241 -4.857 1.00 0.00 C ATOM 971 O THR A 70 72.094 -5.812 -4.810 1.00 0.00 O ATOM 972 CB THR A 70 72.042 -3.298 -6.092 1.00 0.00 C ATOM 973 OG1 THR A 70 71.758 -1.991 -6.570 1.00 0.00 O ATOM 974 CG2 THR A 70 72.121 -4.268 -7.275 1.00 0.00 C ATOM 0 H THR A 70 71.731 -3.471 -3.166 1.00 0.00 H new ATOM 0 HA THR A 70 69.942 -3.545 -5.539 1.00 0.00 H new ATOM 0 HB THR A 70 72.997 -3.298 -5.566 1.00 0.00 H new ATOM 0 HG1 THR A 70 70.935 -1.662 -6.152 1.00 0.00 H new ATOM 0 HG21 THR A 70 72.911 -3.949 -7.955 1.00 0.00 H new ATOM 0 HG22 THR A 70 72.340 -5.271 -6.909 1.00 0.00 H new ATOM 0 HG23 THR A 70 71.168 -4.275 -7.804 1.00 0.00 H new ATOM 982 N GLY A 71 69.903 -5.888 -4.683 1.00 0.00 N ATOM 983 CA GLY A 71 69.928 -7.354 -4.418 1.00 0.00 C ATOM 984 C GLY A 71 69.970 -7.597 -2.911 1.00 0.00 C ATOM 985 O GLY A 71 70.370 -8.650 -2.453 1.00 0.00 O ATOM 0 H GLY A 71 68.975 -5.466 -4.713 1.00 0.00 H new ATOM 0 HA2 GLY A 71 69.046 -7.828 -4.849 1.00 0.00 H new ATOM 0 HA3 GLY A 71 70.798 -7.806 -4.895 1.00 0.00 H new ATOM 989 N GLY A 72 69.570 -6.630 -2.136 1.00 0.00 N ATOM 990 CA GLY A 72 69.598 -6.803 -0.657 1.00 0.00 C ATOM 991 C GLY A 72 70.971 -6.372 -0.134 1.00 0.00 C ATOM 992 O GLY A 72 71.352 -6.676 0.979 1.00 0.00 O ATOM 0 H GLY A 72 69.225 -5.727 -2.462 1.00 0.00 H new ATOM 0 HA2 GLY A 72 68.813 -6.206 -0.193 1.00 0.00 H new ATOM 0 HA3 GLY A 72 69.404 -7.843 -0.395 1.00 0.00 H new ATOM 996 N VAL A 73 71.717 -5.669 -0.941 1.00 0.00 N ATOM 997 CA VAL A 73 73.073 -5.209 -0.520 1.00 0.00 C ATOM 998 C VAL A 73 73.164 -3.685 -0.663 1.00 0.00 C ATOM 999 O VAL A 73 72.778 -3.146 -1.677 1.00 0.00 O ATOM 1000 CB VAL A 73 74.017 -5.885 -1.512 1.00 0.00 C ATOM 1001 CG1 VAL A 73 73.654 -7.367 -1.637 1.00 0.00 C ATOM 1002 CG2 VAL A 73 73.859 -5.206 -2.874 1.00 0.00 C ATOM 0 H VAL A 73 71.443 -5.390 -1.883 1.00 0.00 H new ATOM 0 HA VAL A 73 73.307 -5.455 0.516 1.00 0.00 H new ATOM 0 HB VAL A 73 75.047 -5.797 -1.166 1.00 0.00 H new ATOM 0 HG11 VAL A 73 74.328 -7.848 -2.345 1.00 0.00 H new ATOM 0 HG12 VAL A 73 73.747 -7.848 -0.663 1.00 0.00 H new ATOM 0 HG13 VAL A 73 72.628 -7.462 -1.992 1.00 0.00 H new ATOM 0 HG21 VAL A 73 74.527 -5.677 -3.595 1.00 0.00 H new ATOM 0 HG22 VAL A 73 72.828 -5.308 -3.214 1.00 0.00 H new ATOM 0 HG23 VAL A 73 74.109 -4.149 -2.785 1.00 0.00 H new ATOM 1012 N PRO A 74 73.668 -3.037 0.353 1.00 0.00 N ATOM 1013 CA PRO A 74 73.792 -1.559 0.314 1.00 0.00 C ATOM 1014 C PRO A 74 74.990 -1.133 -0.544 1.00 0.00 C ATOM 1015 O PRO A 74 76.014 -1.788 -0.571 1.00 0.00 O ATOM 1016 CB PRO A 74 74.016 -1.183 1.772 1.00 0.00 C ATOM 1017 CG PRO A 74 74.616 -2.401 2.408 1.00 0.00 C ATOM 1018 CD PRO A 74 74.159 -3.603 1.615 1.00 0.00 C ATOM 0 HA PRO A 74 72.921 -1.073 -0.124 1.00 0.00 H new ATOM 0 HB2 PRO A 74 74.683 -0.325 1.859 1.00 0.00 H new ATOM 0 HB3 PRO A 74 73.079 -0.908 2.256 1.00 0.00 H new ATOM 0 HG2 PRO A 74 75.704 -2.335 2.410 1.00 0.00 H new ATOM 0 HG3 PRO A 74 74.299 -2.485 3.448 1.00 0.00 H new ATOM 0 HD2 PRO A 74 74.977 -4.303 1.446 1.00 0.00 H new ATOM 0 HD3 PRO A 74 73.375 -4.150 2.138 1.00 0.00 H new ATOM 1026 N ALA A 75 74.868 -0.036 -1.242 1.00 0.00 N ATOM 1027 CA ALA A 75 75.995 0.441 -2.096 1.00 0.00 C ATOM 1028 C ALA A 75 76.777 1.543 -1.368 1.00 0.00 C ATOM 1029 O ALA A 75 76.403 1.955 -0.289 1.00 0.00 O ATOM 1030 CB ALA A 75 75.325 0.992 -3.355 1.00 0.00 C ATOM 0 H ALA A 75 74.035 0.552 -1.258 1.00 0.00 H new ATOM 0 HA ALA A 75 76.708 -0.350 -2.329 1.00 0.00 H new ATOM 0 HB1 ALA A 75 76.087 1.365 -4.039 1.00 0.00 H new ATOM 0 HB2 ALA A 75 74.757 0.199 -3.842 1.00 0.00 H new ATOM 0 HB3 ALA A 75 74.652 1.805 -3.083 1.00 0.00 H new ATOM 1036 N PRO A 76 77.841 1.983 -1.989 1.00 0.00 N ATOM 1037 CA PRO A 76 78.690 3.046 -1.393 1.00 0.00 C ATOM 1038 C PRO A 76 77.987 4.405 -1.470 1.00 0.00 C ATOM 1039 O PRO A 76 77.945 5.035 -2.509 1.00 0.00 O ATOM 1040 CB PRO A 76 79.944 3.032 -2.265 1.00 0.00 C ATOM 1041 CG PRO A 76 79.497 2.469 -3.576 1.00 0.00 C ATOM 1042 CD PRO A 76 78.349 1.536 -3.291 1.00 0.00 C ATOM 0 HA PRO A 76 78.906 2.879 -0.338 1.00 0.00 H new ATOM 0 HB2 PRO A 76 80.353 4.035 -2.385 1.00 0.00 H new ATOM 0 HB3 PRO A 76 80.728 2.420 -1.819 1.00 0.00 H new ATOM 0 HG2 PRO A 76 79.187 3.266 -4.251 1.00 0.00 H new ATOM 0 HG3 PRO A 76 80.313 1.937 -4.065 1.00 0.00 H new ATOM 0 HD2 PRO A 76 77.581 1.601 -4.062 1.00 0.00 H new ATOM 0 HD3 PRO A 76 78.678 0.498 -3.256 1.00 0.00 H new ATOM 1050 N SER A 77 77.435 4.862 -0.380 1.00 0.00 N ATOM 1051 CA SER A 77 76.737 6.180 -0.395 1.00 0.00 C ATOM 1052 C SER A 77 77.411 7.151 0.581 1.00 0.00 C ATOM 1053 O SER A 77 77.303 8.354 0.446 1.00 0.00 O ATOM 1054 CB SER A 77 75.310 5.873 0.055 1.00 0.00 C ATOM 1055 OG SER A 77 74.418 6.807 -0.541 1.00 0.00 O ATOM 0 H SER A 77 77.437 4.381 0.520 1.00 0.00 H new ATOM 0 HA SER A 77 76.765 6.651 -1.378 1.00 0.00 H new ATOM 0 HB2 SER A 77 75.037 4.858 -0.232 1.00 0.00 H new ATOM 0 HB3 SER A 77 75.239 5.927 1.141 1.00 0.00 H new ATOM 0 HG SER A 77 73.501 6.612 -0.256 1.00 0.00 H new ATOM 1061 N ALA A 78 78.099 6.639 1.565 1.00 0.00 N ATOM 1062 CA ALA A 78 78.770 7.536 2.553 1.00 0.00 C ATOM 1063 C ALA A 78 77.724 8.392 3.278 1.00 0.00 C ATOM 1064 O ALA A 78 78.048 9.344 3.961 1.00 0.00 O ATOM 1065 CB ALA A 78 79.710 8.413 1.723 1.00 0.00 C ATOM 0 H ALA A 78 78.226 5.640 1.729 1.00 0.00 H new ATOM 0 HA ALA A 78 79.311 6.980 3.319 1.00 0.00 H new ATOM 0 HB1 ALA A 78 80.241 9.101 2.381 1.00 0.00 H new ATOM 0 HB2 ALA A 78 80.430 7.782 1.201 1.00 0.00 H new ATOM 0 HB3 ALA A 78 79.130 8.981 0.995 1.00 0.00 H new ATOM 1071 N ALA A 79 76.468 8.056 3.132 1.00 0.00 N ATOM 1072 CA ALA A 79 75.395 8.845 3.809 1.00 0.00 C ATOM 1073 C ALA A 79 74.301 7.919 4.372 1.00 0.00 C ATOM 1074 O ALA A 79 73.493 8.327 5.183 1.00 0.00 O ATOM 1075 CB ALA A 79 74.823 9.748 2.716 1.00 0.00 C ATOM 0 H ALA A 79 76.139 7.269 2.573 1.00 0.00 H new ATOM 0 HA ALA A 79 75.781 9.413 4.655 1.00 0.00 H new ATOM 0 HB1 ALA A 79 74.025 10.363 3.133 1.00 0.00 H new ATOM 0 HB2 ALA A 79 75.612 10.392 2.326 1.00 0.00 H new ATOM 0 HB3 ALA A 79 74.424 9.134 1.909 1.00 0.00 H new ATOM 1081 N CYS A 80 74.265 6.681 3.950 1.00 0.00 N ATOM 1082 CA CYS A 80 73.223 5.740 4.461 1.00 0.00 C ATOM 1083 C CYS A 80 73.385 5.532 5.976 1.00 0.00 C ATOM 1084 O CYS A 80 74.365 5.944 6.565 1.00 0.00 O ATOM 1085 CB CYS A 80 73.466 4.444 3.678 1.00 0.00 C ATOM 1086 SG CYS A 80 72.405 3.135 4.325 1.00 0.00 S ATOM 0 H CYS A 80 74.914 6.280 3.272 1.00 0.00 H new ATOM 0 HA CYS A 80 72.207 6.110 4.321 1.00 0.00 H new ATOM 0 HB2 CYS A 80 73.260 4.603 2.620 1.00 0.00 H new ATOM 0 HB3 CYS A 80 74.513 4.150 3.758 1.00 0.00 H new ATOM 1091 N LYS A 81 72.419 4.922 6.618 1.00 0.00 N ATOM 1092 CA LYS A 81 72.508 4.723 8.097 1.00 0.00 C ATOM 1093 C LYS A 81 72.893 3.280 8.457 1.00 0.00 C ATOM 1094 O LYS A 81 73.584 3.046 9.428 1.00 0.00 O ATOM 1095 CB LYS A 81 71.100 5.081 8.626 1.00 0.00 C ATOM 1096 CG LYS A 81 70.206 3.832 8.796 1.00 0.00 C ATOM 1097 CD LYS A 81 69.509 3.499 7.472 1.00 0.00 C ATOM 1098 CE LYS A 81 69.470 1.979 7.263 1.00 0.00 C ATOM 1099 NZ LYS A 81 69.375 1.799 5.789 1.00 0.00 N ATOM 0 H LYS A 81 71.574 4.554 6.182 1.00 0.00 H new ATOM 0 HA LYS A 81 73.285 5.344 8.543 1.00 0.00 H new ATOM 0 HB2 LYS A 81 71.193 5.593 9.584 1.00 0.00 H new ATOM 0 HB3 LYS A 81 70.621 5.778 7.938 1.00 0.00 H new ATOM 0 HG2 LYS A 81 70.810 2.985 9.121 1.00 0.00 H new ATOM 0 HG3 LYS A 81 69.462 4.010 9.573 1.00 0.00 H new ATOM 0 HD2 LYS A 81 68.495 3.899 7.475 1.00 0.00 H new ATOM 0 HD3 LYS A 81 70.037 3.974 6.645 1.00 0.00 H new ATOM 0 HE2 LYS A 81 70.365 1.502 7.663 1.00 0.00 H new ATOM 0 HE3 LYS A 81 68.616 1.532 7.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 69.309 0.785 5.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 68.528 2.287 5.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 70.221 2.199 5.335 1.00 0.00 H new ATOM 1113 N ILE A 82 72.438 2.314 7.704 1.00 0.00 N ATOM 1114 CA ILE A 82 72.771 0.898 8.041 1.00 0.00 C ATOM 1115 C ILE A 82 72.617 0.686 9.548 1.00 0.00 C ATOM 1116 O ILE A 82 73.560 0.355 10.239 1.00 0.00 O ATOM 1117 CB ILE A 82 74.229 0.704 7.628 1.00 0.00 C ATOM 1118 CG1 ILE A 82 74.412 1.108 6.163 1.00 0.00 C ATOM 1119 CG2 ILE A 82 74.611 -0.766 7.799 1.00 0.00 C ATOM 1120 CD1 ILE A 82 73.630 0.147 5.264 1.00 0.00 C ATOM 0 H ILE A 82 71.855 2.442 6.877 1.00 0.00 H new ATOM 0 HA ILE A 82 72.117 0.189 7.533 1.00 0.00 H new ATOM 0 HB ILE A 82 74.867 1.327 8.255 1.00 0.00 H new ATOM 0 HG12 ILE A 82 74.063 2.129 6.011 1.00 0.00 H new ATOM 0 HG13 ILE A 82 75.469 1.089 5.899 1.00 0.00 H new ATOM 0 HG21 ILE A 82 75.651 -0.908 7.505 1.00 0.00 H new ATOM 0 HG22 ILE A 82 74.486 -1.055 8.842 1.00 0.00 H new ATOM 0 HG23 ILE A 82 73.969 -1.384 7.172 1.00 0.00 H new ATOM 0 HD11 ILE A 82 73.761 0.436 4.221 1.00 0.00 H new ATOM 0 HD12 ILE A 82 73.999 -0.868 5.408 1.00 0.00 H new ATOM 0 HD13 ILE A 82 72.572 0.188 5.521 1.00 0.00 H new ATOM 1132 N SER A 83 71.438 0.894 10.065 1.00 0.00 N ATOM 1133 CA SER A 83 71.228 0.726 11.528 1.00 0.00 C ATOM 1134 C SER A 83 70.266 -0.436 11.805 1.00 0.00 C ATOM 1135 O SER A 83 70.437 -1.526 11.299 1.00 0.00 O ATOM 1136 CB SER A 83 70.624 2.054 11.980 1.00 0.00 C ATOM 1137 OG SER A 83 71.512 3.111 11.643 1.00 0.00 O ATOM 0 H SER A 83 70.611 1.173 9.537 1.00 0.00 H new ATOM 0 HA SER A 83 72.151 0.491 12.059 1.00 0.00 H new ATOM 0 HB2 SER A 83 69.657 2.209 11.501 1.00 0.00 H new ATOM 0 HB3 SER A 83 70.448 2.040 13.056 1.00 0.00 H new ATOM 0 HG SER A 83 71.127 3.965 11.930 1.00 0.00 H new ATOM 1143 N GLY A 84 69.262 -0.215 12.614 1.00 0.00 N ATOM 1144 CA GLY A 84 68.302 -1.307 12.930 1.00 0.00 C ATOM 1145 C GLY A 84 67.530 -1.719 11.675 1.00 0.00 C ATOM 1146 O GLY A 84 66.332 -1.541 11.592 1.00 0.00 O ATOM 0 H GLY A 84 69.068 0.677 13.069 1.00 0.00 H new ATOM 0 HA2 GLY A 84 68.838 -2.166 13.333 1.00 0.00 H new ATOM 0 HA3 GLY A 84 67.606 -0.976 13.701 1.00 0.00 H new ATOM 1150 N CYS A 85 68.196 -2.280 10.702 1.00 0.00 N ATOM 1151 CA CYS A 85 67.478 -2.711 9.466 1.00 0.00 C ATOM 1152 C CYS A 85 68.324 -3.732 8.703 1.00 0.00 C ATOM 1153 O CYS A 85 69.374 -4.140 9.157 1.00 0.00 O ATOM 1154 CB CYS A 85 67.288 -1.427 8.645 1.00 0.00 C ATOM 1155 SG CYS A 85 65.915 -1.593 7.460 1.00 0.00 S ATOM 0 H CYS A 85 69.200 -2.458 10.708 1.00 0.00 H new ATOM 0 HA CYS A 85 66.523 -3.191 9.681 1.00 0.00 H new ATOM 0 HB2 CYS A 85 67.093 -0.590 9.316 1.00 0.00 H new ATOM 0 HB3 CYS A 85 68.208 -1.197 8.108 1.00 0.00 H new ATOM 1160 N THR A 86 67.877 -4.155 7.551 1.00 0.00 N ATOM 1161 CA THR A 86 68.665 -5.154 6.774 1.00 0.00 C ATOM 1162 C THR A 86 67.966 -5.487 5.452 1.00 0.00 C ATOM 1163 O THR A 86 66.784 -5.262 5.287 1.00 0.00 O ATOM 1164 CB THR A 86 68.716 -6.391 7.670 1.00 0.00 C ATOM 1165 OG1 THR A 86 69.246 -7.482 6.932 1.00 0.00 O ATOM 1166 CG2 THR A 86 67.305 -6.739 8.156 1.00 0.00 C ATOM 0 H THR A 86 67.005 -3.854 7.116 1.00 0.00 H new ATOM 0 HA THR A 86 69.657 -4.782 6.519 1.00 0.00 H new ATOM 0 HB THR A 86 69.351 -6.188 8.532 1.00 0.00 H new ATOM 0 HG1 THR A 86 69.282 -8.277 7.504 1.00 0.00 H new ATOM 0 HG21 THR A 86 67.347 -7.622 8.794 1.00 0.00 H new ATOM 0 HG22 THR A 86 66.898 -5.901 8.722 1.00 0.00 H new ATOM 0 HG23 THR A 86 66.664 -6.942 7.298 1.00 0.00 H new ATOM 1174 N PHE A 87 68.694 -6.028 4.508 1.00 0.00 N ATOM 1175 CA PHE A 87 68.073 -6.388 3.196 1.00 0.00 C ATOM 1176 C PHE A 87 68.397 -7.850 2.862 1.00 0.00 C ATOM 1177 O PHE A 87 69.382 -8.394 3.319 1.00 0.00 O ATOM 1178 CB PHE A 87 68.689 -5.462 2.124 1.00 0.00 C ATOM 1179 CG PHE A 87 69.362 -4.252 2.742 1.00 0.00 C ATOM 1180 CD1 PHE A 87 68.686 -3.461 3.686 1.00 0.00 C ATOM 1181 CD2 PHE A 87 70.671 -3.924 2.365 1.00 0.00 C ATOM 1182 CE1 PHE A 87 69.326 -2.346 4.254 1.00 0.00 C ATOM 1183 CE2 PHE A 87 71.303 -2.813 2.931 1.00 0.00 C ATOM 1184 CZ PHE A 87 70.634 -2.025 3.875 1.00 0.00 C ATOM 0 H PHE A 87 69.689 -6.236 4.588 1.00 0.00 H new ATOM 0 HA PHE A 87 66.990 -6.269 3.232 1.00 0.00 H new ATOM 0 HB2 PHE A 87 69.417 -6.021 1.536 1.00 0.00 H new ATOM 0 HB3 PHE A 87 67.909 -5.133 1.437 1.00 0.00 H new ATOM 0 HD1 PHE A 87 67.675 -3.709 3.975 1.00 0.00 H new ATOM 0 HD2 PHE A 87 71.191 -4.529 1.637 1.00 0.00 H new ATOM 0 HE1 PHE A 87 68.809 -1.738 4.982 1.00 0.00 H new ATOM 0 HE2 PHE A 87 72.312 -2.561 2.639 1.00 0.00 H new ATOM 0 HZ PHE A 87 71.128 -1.169 4.311 1.00 0.00 H new ATOM 1194 N SER A 88 67.582 -8.490 2.065 1.00 0.00 N ATOM 1195 CA SER A 88 67.854 -9.914 1.705 1.00 0.00 C ATOM 1196 C SER A 88 67.423 -10.189 0.262 1.00 0.00 C ATOM 1197 O SER A 88 67.127 -11.310 -0.105 1.00 0.00 O ATOM 1198 CB SER A 88 67.014 -10.740 2.678 1.00 0.00 C ATOM 1199 OG SER A 88 67.850 -11.676 3.346 1.00 0.00 O ATOM 0 H SER A 88 66.741 -8.090 1.648 1.00 0.00 H new ATOM 0 HA SER A 88 68.914 -10.158 1.773 1.00 0.00 H new ATOM 0 HB2 SER A 88 66.529 -10.086 3.403 1.00 0.00 H new ATOM 0 HB3 SER A 88 66.222 -11.262 2.140 1.00 0.00 H new ATOM 0 HG SER A 88 67.313 -12.206 3.972 1.00 0.00 H new ATOM 1205 N ALA A 89 67.384 -9.177 -0.561 1.00 0.00 N ATOM 1206 CA ALA A 89 66.967 -9.383 -1.979 1.00 0.00 C ATOM 1207 C ALA A 89 65.618 -10.108 -2.027 1.00 0.00 C ATOM 1208 O ALA A 89 65.557 -11.317 -2.127 1.00 0.00 O ATOM 1209 CB ALA A 89 68.065 -10.255 -2.593 1.00 0.00 C ATOM 0 H ALA A 89 67.623 -8.217 -0.314 1.00 0.00 H new ATOM 0 HA ALA A 89 66.846 -8.443 -2.517 1.00 0.00 H new ATOM 0 HB1 ALA A 89 67.831 -10.452 -3.639 1.00 0.00 H new ATOM 0 HB2 ALA A 89 69.021 -9.736 -2.527 1.00 0.00 H new ATOM 0 HB3 ALA A 89 68.126 -11.199 -2.051 1.00 0.00 H new ATOM 1215 N ASN A 90 64.534 -9.383 -1.950 1.00 0.00 N ATOM 1216 CA ASN A 90 63.196 -10.045 -1.986 1.00 0.00 C ATOM 1217 C ASN A 90 62.968 -10.714 -3.347 1.00 0.00 C ATOM 1218 O ASN A 90 63.948 -11.032 -4.000 1.00 0.00 O ATOM 1219 CB ASN A 90 62.186 -8.913 -1.744 1.00 0.00 C ATOM 1220 CG ASN A 90 61.869 -8.196 -3.061 1.00 0.00 C ATOM 1221 OD1 ASN A 90 62.850 -7.805 -3.829 1.00 0.00 O flip ATOM 1222 ND2 ASN A 90 60.719 -7.994 -3.395 1.00 0.00 N flip ATOM 1223 OXT ASN A 90 61.818 -10.896 -3.710 1.00 0.00 O ATOM 0 H ASN A 90 64.516 -8.367 -1.864 1.00 0.00 H new ATOM 0 HA ASN A 90 63.101 -10.833 -1.239 1.00 0.00 H new ATOM 0 HB2 ASN A 90 61.271 -9.318 -1.313 1.00 0.00 H new ATOM 0 HB3 ASN A 90 62.591 -8.203 -1.023 1.00 0.00 H new ATOM 0 HD21 ASN A 90 59.953 -8.299 -2.795 1.00 0.00 H new ATOM 0 HD22 ASN A 90 60.520 -7.519 -4.275 1.00 0.00 H new