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 40 SER OG : rot 160:sc= -0.86 USER MOD Set 1.2: A 90 ASN : amide:sc= -8.5! C(o=-9.4!,f=-15!) USER MOD Set 2.1: A 52 SER OG : rot -98:sc= 0.838 USER MOD Set 2.2: A 55 SER OG : rot 6:sc= 1.96 USER MOD Set 3.1: A 53 THR OG1 : rot -150:sc= -0.16 USER MOD Set 3.2: A 70 THR OG1 : rot -63:sc= -0.1 USER MOD Set 4.1: A 14 ASN : amide:sc= -3.29! C(o=-3.3!,f=-4!) USER MOD Set 4.2: A 29 LYS NZ :NH3+ -160:sc= -0.0238 (180deg=-0.771) USER MOD Single : A 10 GLN : amide:sc= -7.93! C(o=-7.9!,f=-8.3!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -80:sc= -1.69 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -6:sc= 0.405 USER MOD Single : A 24 ASN :FLIP amide:sc= -0.0119 F(o=-1.2,f=-0.012) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 101:sc= -2.31 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 27:sc= -0.886 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -28:sc= 0.104! USER MOD Single : A 48 THR OG1 : rot 180:sc= -1.31 USER MOD Single : A 49 THR OG1 : rot -1:sc= 0.129 USER MOD Single : A 50 SER OG : rot -25:sc= -0.815 USER MOD Single : A 51 THR OG1 : rot -140:sc= -1.47 USER MOD Single : A 58 SER OG : rot -140:sc= -2.02 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= -0.173 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0486 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -99:sc= -6.3! (180deg=-9.77!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0192 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 110 N GLN A 10 49.752 -2.109 -4.569 1.00 0.00 N ATOM 111 CA GLN A 10 49.277 -3.259 -3.750 1.00 0.00 C ATOM 112 C GLN A 10 49.685 -3.015 -2.302 1.00 0.00 C ATOM 113 O GLN A 10 49.874 -3.936 -1.533 1.00 0.00 O ATOM 114 CB GLN A 10 49.957 -4.531 -4.288 1.00 0.00 C ATOM 115 CG GLN A 10 50.921 -4.208 -5.432 1.00 0.00 C ATOM 116 CD GLN A 10 51.248 -5.486 -6.212 1.00 0.00 C ATOM 117 OE1 GLN A 10 51.881 -5.430 -7.247 1.00 0.00 O ATOM 118 NE2 GLN A 10 50.843 -6.646 -5.760 1.00 0.00 N ATOM 0 HA GLN A 10 48.194 -3.370 -3.804 1.00 0.00 H new ATOM 0 HB2 GLN A 10 50.499 -5.024 -3.481 1.00 0.00 H new ATOM 0 HB3 GLN A 10 49.198 -5.231 -4.637 1.00 0.00 H new ATOM 0 HG2 GLN A 10 50.475 -3.469 -6.098 1.00 0.00 H new ATOM 0 HG3 GLN A 10 51.836 -3.769 -5.035 1.00 0.00 H new ATOM 0 HE21 GLN A 10 50.311 -6.697 -4.891 1.00 0.00 H new ATOM 0 HE22 GLN A 10 51.059 -7.498 -6.277 1.00 0.00 H new ATOM 127 N LEU A 11 49.825 -1.768 -1.935 1.00 0.00 N ATOM 128 CA LEU A 11 50.225 -1.441 -0.543 1.00 0.00 C ATOM 129 C LEU A 11 49.485 -2.355 0.422 1.00 0.00 C ATOM 130 O LEU A 11 48.309 -2.195 0.686 1.00 0.00 O ATOM 131 CB LEU A 11 49.829 0.020 -0.341 1.00 0.00 C ATOM 132 CG LEU A 11 50.935 0.932 -0.885 1.00 0.00 C ATOM 133 CD1 LEU A 11 52.289 0.515 -0.309 1.00 0.00 C ATOM 134 CD2 LEU A 11 50.985 0.827 -2.411 1.00 0.00 C ATOM 0 H LEU A 11 49.678 -0.963 -2.544 1.00 0.00 H new ATOM 0 HA LEU A 11 51.291 -1.583 -0.364 1.00 0.00 H new ATOM 0 HB2 LEU A 11 48.889 0.227 -0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 11 49.666 0.220 0.718 1.00 0.00 H new ATOM 0 HG LEU A 11 50.719 1.960 -0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 11 53.068 1.169 -0.701 1.00 0.00 H new ATOM 0 HD12 LEU A 11 52.262 0.594 0.778 1.00 0.00 H new ATOM 0 HD13 LEU A 11 52.503 -0.515 -0.592 1.00 0.00 H new ATOM 0 HD21 LEU A 11 51.772 1.476 -2.795 1.00 0.00 H new ATOM 0 HD22 LEU A 11 51.193 -0.204 -2.698 1.00 0.00 H new ATOM 0 HD23 LEU A 11 50.026 1.134 -2.828 1.00 0.00 H new ATOM 146 N SER A 12 50.172 -3.334 0.924 1.00 0.00 N ATOM 147 CA SER A 12 49.529 -4.308 1.857 1.00 0.00 C ATOM 148 C SER A 12 49.092 -3.632 3.161 1.00 0.00 C ATOM 149 O SER A 12 49.459 -4.058 4.238 1.00 0.00 O ATOM 150 CB SER A 12 50.607 -5.356 2.134 1.00 0.00 C ATOM 151 OG SER A 12 50.820 -6.133 0.962 1.00 0.00 O ATOM 0 H SER A 12 51.158 -3.508 0.731 1.00 0.00 H new ATOM 0 HA SER A 12 48.627 -4.740 1.424 1.00 0.00 H new ATOM 0 HB2 SER A 12 51.535 -4.869 2.435 1.00 0.00 H new ATOM 0 HB3 SER A 12 50.302 -5.999 2.960 1.00 0.00 H new ATOM 0 HG SER A 12 51.512 -6.805 1.136 1.00 0.00 H new ATOM 157 N ALA A 13 48.298 -2.598 3.078 1.00 0.00 N ATOM 158 CA ALA A 13 47.833 -1.915 4.318 1.00 0.00 C ATOM 159 C ALA A 13 49.025 -1.451 5.157 1.00 0.00 C ATOM 160 O ALA A 13 50.099 -2.016 5.098 1.00 0.00 O ATOM 161 CB ALA A 13 47.042 -2.978 5.081 1.00 0.00 C ATOM 0 H ALA A 13 47.952 -2.198 2.206 1.00 0.00 H new ATOM 0 HA ALA A 13 47.236 -1.031 4.094 1.00 0.00 H new ATOM 0 HB1 ALA A 13 46.664 -2.553 6.011 1.00 0.00 H new ATOM 0 HB2 ALA A 13 46.205 -3.317 4.470 1.00 0.00 H new ATOM 0 HB3 ALA A 13 47.692 -3.823 5.307 1.00 0.00 H new ATOM 167 N ASN A 14 48.837 -0.437 5.958 1.00 0.00 N ATOM 168 CA ASN A 14 49.948 0.052 6.829 1.00 0.00 C ATOM 169 C ASN A 14 51.051 0.743 6.013 1.00 0.00 C ATOM 170 O ASN A 14 51.992 1.275 6.566 1.00 0.00 O ATOM 171 CB ASN A 14 50.492 -1.212 7.500 1.00 0.00 C ATOM 172 CG ASN A 14 51.044 -0.873 8.886 1.00 0.00 C ATOM 173 OD1 ASN A 14 50.593 -1.409 9.878 1.00 0.00 O ATOM 174 ND2 ASN A 14 52.003 0.003 8.999 1.00 0.00 N ATOM 0 H ASN A 14 47.960 0.076 6.048 1.00 0.00 H new ATOM 0 HA ASN A 14 49.599 0.796 7.545 1.00 0.00 H new ATOM 0 HB2 ASN A 14 49.701 -1.957 7.587 1.00 0.00 H new ATOM 0 HB3 ASN A 14 51.277 -1.651 6.884 1.00 0.00 H new ATOM 0 HD21 ASN A 14 52.374 0.237 9.920 1.00 0.00 H new ATOM 0 HD22 ASN A 14 52.383 0.454 8.167 1.00 0.00 H new ATOM 181 N SER A 15 50.960 0.747 4.708 1.00 0.00 N ATOM 182 CA SER A 15 52.024 1.410 3.902 1.00 0.00 C ATOM 183 C SER A 15 51.893 2.933 3.987 1.00 0.00 C ATOM 184 O SER A 15 50.974 3.455 4.585 1.00 0.00 O ATOM 185 CB SER A 15 51.792 0.938 2.473 1.00 0.00 C ATOM 186 OG SER A 15 51.166 1.976 1.729 1.00 0.00 O ATOM 0 H SER A 15 50.203 0.324 4.172 1.00 0.00 H new ATOM 0 HA SER A 15 53.022 1.158 4.261 1.00 0.00 H new ATOM 0 HB2 SER A 15 52.740 0.665 2.010 1.00 0.00 H new ATOM 0 HB3 SER A 15 51.167 0.045 2.470 1.00 0.00 H new ATOM 0 HG SER A 15 50.206 1.986 1.926 1.00 0.00 H new ATOM 192 N LYS A 16 52.802 3.651 3.381 1.00 0.00 N ATOM 193 CA LYS A 16 52.723 5.140 3.415 1.00 0.00 C ATOM 194 C LYS A 16 53.561 5.737 2.280 1.00 0.00 C ATOM 195 O LYS A 16 54.538 5.158 1.846 1.00 0.00 O ATOM 196 CB LYS A 16 53.302 5.542 4.775 1.00 0.00 C ATOM 197 CG LYS A 16 52.163 5.777 5.771 1.00 0.00 C ATOM 198 CD LYS A 16 52.271 4.764 6.913 1.00 0.00 C ATOM 199 CE LYS A 16 51.378 5.196 8.080 1.00 0.00 C ATOM 200 NZ LYS A 16 50.277 4.192 8.117 1.00 0.00 N ATOM 0 H LYS A 16 53.595 3.270 2.865 1.00 0.00 H new ATOM 0 HA LYS A 16 51.703 5.501 3.285 1.00 0.00 H new ATOM 0 HB2 LYS A 16 53.965 4.760 5.144 1.00 0.00 H new ATOM 0 HB3 LYS A 16 53.901 6.447 4.673 1.00 0.00 H new ATOM 0 HG2 LYS A 16 52.213 6.792 6.165 1.00 0.00 H new ATOM 0 HG3 LYS A 16 51.200 5.676 5.270 1.00 0.00 H new ATOM 0 HD2 LYS A 16 51.974 3.775 6.563 1.00 0.00 H new ATOM 0 HD3 LYS A 16 53.306 4.687 7.245 1.00 0.00 H new ATOM 0 HE2 LYS A 16 51.933 5.208 9.018 1.00 0.00 H new ATOM 0 HE3 LYS A 16 50.989 6.203 7.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 49.623 4.422 8.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 49.762 4.208 7.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 50.677 3.244 8.271 1.00 0.00 H new ATOM 214 N CYS A 17 53.190 6.894 1.800 1.00 0.00 N ATOM 215 CA CYS A 17 53.971 7.529 0.699 1.00 0.00 C ATOM 216 C CYS A 17 53.558 8.998 0.533 1.00 0.00 C ATOM 217 O CYS A 17 52.821 9.538 1.333 1.00 0.00 O ATOM 218 CB CYS A 17 53.641 6.712 -0.555 1.00 0.00 C ATOM 219 SG CYS A 17 51.979 7.119 -1.144 1.00 0.00 S ATOM 0 H CYS A 17 52.381 7.426 2.122 1.00 0.00 H new ATOM 0 HA CYS A 17 55.042 7.531 0.899 1.00 0.00 H new ATOM 0 HB2 CYS A 17 54.373 6.919 -1.336 1.00 0.00 H new ATOM 0 HB3 CYS A 17 53.705 5.647 -0.332 1.00 0.00 H new ATOM 0 HG CYS A 17 51.713 6.421 -2.208 1.00 0.00 H new ATOM 224 N GLU A 18 54.035 9.650 -0.494 1.00 0.00 N ATOM 225 CA GLU A 18 53.675 11.085 -0.699 1.00 0.00 C ATOM 226 C GLU A 18 54.133 11.558 -2.084 1.00 0.00 C ATOM 227 O GLU A 18 53.442 12.298 -2.755 1.00 0.00 O ATOM 228 CB GLU A 18 54.435 11.836 0.396 1.00 0.00 C ATOM 229 CG GLU A 18 54.244 13.344 0.212 1.00 0.00 C ATOM 230 CD GLU A 18 54.574 14.067 1.520 1.00 0.00 C ATOM 231 OE1 GLU A 18 54.149 13.593 2.560 1.00 0.00 O ATOM 232 OE2 GLU A 18 55.245 15.083 1.459 1.00 0.00 O ATOM 0 H GLU A 18 54.657 9.253 -1.198 1.00 0.00 H new ATOM 0 HA GLU A 18 52.599 11.253 -0.647 1.00 0.00 H new ATOM 0 HB2 GLU A 18 54.074 11.531 1.378 1.00 0.00 H new ATOM 0 HB3 GLU A 18 55.495 11.586 0.354 1.00 0.00 H new ATOM 0 HG2 GLU A 18 54.888 13.707 -0.589 1.00 0.00 H new ATOM 0 HG3 GLU A 18 53.217 13.557 -0.084 1.00 0.00 H new ATOM 239 N LYS A 19 55.295 11.141 -2.510 1.00 0.00 N ATOM 240 CA LYS A 19 55.803 11.571 -3.847 1.00 0.00 C ATOM 241 C LYS A 19 57.151 10.902 -4.135 1.00 0.00 C ATOM 242 O LYS A 19 58.134 11.557 -4.419 1.00 0.00 O ATOM 243 CB LYS A 19 55.968 13.086 -3.733 1.00 0.00 C ATOM 244 CG LYS A 19 56.366 13.665 -5.093 1.00 0.00 C ATOM 245 CD LYS A 19 55.107 14.000 -5.892 1.00 0.00 C ATOM 246 CE LYS A 19 54.792 12.854 -6.853 1.00 0.00 C ATOM 247 NZ LYS A 19 53.723 13.387 -7.743 1.00 0.00 N ATOM 0 H LYS A 19 55.916 10.521 -1.990 1.00 0.00 H new ATOM 0 HA LYS A 19 55.131 11.294 -4.659 1.00 0.00 H new ATOM 0 HB2 LYS A 19 55.037 13.538 -3.393 1.00 0.00 H new ATOM 0 HB3 LYS A 19 56.728 13.324 -2.989 1.00 0.00 H new ATOM 0 HG2 LYS A 19 56.972 14.561 -4.956 1.00 0.00 H new ATOM 0 HG3 LYS A 19 56.977 12.948 -5.641 1.00 0.00 H new ATOM 0 HD2 LYS A 19 54.267 14.163 -5.216 1.00 0.00 H new ATOM 0 HD3 LYS A 19 55.253 14.926 -6.449 1.00 0.00 H new ATOM 0 HE2 LYS A 19 55.674 12.563 -7.424 1.00 0.00 H new ATOM 0 HE3 LYS A 19 54.454 11.968 -6.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 53.451 12.658 -8.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 52.895 13.650 -7.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 54.076 14.226 -8.246 1.00 0.00 H new ATOM 261 N SER A 20 57.202 9.601 -4.057 1.00 0.00 N ATOM 262 CA SER A 20 58.482 8.881 -4.316 1.00 0.00 C ATOM 263 C SER A 20 58.470 8.247 -5.711 1.00 0.00 C ATOM 264 O SER A 20 57.662 8.588 -6.553 1.00 0.00 O ATOM 265 CB SER A 20 58.539 7.801 -3.238 1.00 0.00 C ATOM 266 OG SER A 20 57.633 6.758 -3.573 1.00 0.00 O ATOM 0 H SER A 20 56.409 9.003 -3.824 1.00 0.00 H new ATOM 0 HA SER A 20 59.345 9.546 -4.284 1.00 0.00 H new ATOM 0 HB2 SER A 20 59.552 7.406 -3.155 1.00 0.00 H new ATOM 0 HB3 SER A 20 58.281 8.225 -2.267 1.00 0.00 H new ATOM 0 HG SER A 20 57.667 6.061 -2.885 1.00 0.00 H new ATOM 272 N THR A 21 59.357 7.321 -5.960 1.00 0.00 N ATOM 273 CA THR A 21 59.393 6.660 -7.296 1.00 0.00 C ATOM 274 C THR A 21 59.336 5.140 -7.129 1.00 0.00 C ATOM 275 O THR A 21 60.331 4.453 -7.243 1.00 0.00 O ATOM 276 CB THR A 21 60.726 7.088 -7.916 1.00 0.00 C ATOM 277 OG1 THR A 21 60.727 8.497 -8.102 1.00 0.00 O ATOM 278 CG2 THR A 21 60.907 6.394 -9.267 1.00 0.00 C ATOM 0 H THR A 21 60.058 6.994 -5.295 1.00 0.00 H new ATOM 0 HA THR A 21 58.548 6.943 -7.923 1.00 0.00 H new ATOM 0 HB THR A 21 61.544 6.807 -7.253 1.00 0.00 H new ATOM 0 HG1 THR A 21 61.580 8.774 -8.497 1.00 0.00 H new ATOM 0 HG21 THR A 21 61.856 6.699 -9.708 1.00 0.00 H new ATOM 0 HG22 THR A 21 60.904 5.313 -9.124 1.00 0.00 H new ATOM 0 HG23 THR A 21 60.091 6.675 -9.932 1.00 0.00 H new ATOM 286 N LEU A 22 58.174 4.610 -6.853 1.00 0.00 N ATOM 287 CA LEU A 22 58.047 3.134 -6.672 1.00 0.00 C ATOM 288 C LEU A 22 57.610 2.469 -7.982 1.00 0.00 C ATOM 289 O LEU A 22 57.170 3.124 -8.905 1.00 0.00 O ATOM 290 CB LEU A 22 56.972 2.961 -5.597 1.00 0.00 C ATOM 291 CG LEU A 22 57.405 1.874 -4.609 1.00 0.00 C ATOM 292 CD1 LEU A 22 58.625 2.354 -3.824 1.00 0.00 C ATOM 293 CD2 LEU A 22 56.260 1.587 -3.636 1.00 0.00 C ATOM 0 H LEU A 22 57.307 5.136 -6.745 1.00 0.00 H new ATOM 0 HA LEU A 22 58.992 2.671 -6.386 1.00 0.00 H new ATOM 0 HB2 LEU A 22 56.814 3.903 -5.071 1.00 0.00 H new ATOM 0 HB3 LEU A 22 56.022 2.690 -6.058 1.00 0.00 H new ATOM 0 HG LEU A 22 57.658 0.966 -5.157 1.00 0.00 H new ATOM 0 HD11 LEU A 22 58.933 1.580 -3.121 1.00 0.00 H new ATOM 0 HD12 LEU A 22 59.442 2.563 -4.514 1.00 0.00 H new ATOM 0 HD13 LEU A 22 58.371 3.262 -3.276 1.00 0.00 H new ATOM 0 HD21 LEU A 22 56.566 0.813 -2.932 1.00 0.00 H new ATOM 0 HD22 LEU A 22 56.010 2.497 -3.090 1.00 0.00 H new ATOM 0 HD23 LEU A 22 55.387 1.246 -4.192 1.00 0.00 H new ATOM 305 N THR A 23 57.729 1.170 -8.064 1.00 0.00 N ATOM 306 CA THR A 23 57.323 0.455 -9.310 1.00 0.00 C ATOM 307 C THR A 23 57.264 -1.053 -9.050 1.00 0.00 C ATOM 308 O THR A 23 58.194 -1.641 -8.534 1.00 0.00 O ATOM 309 CB THR A 23 58.414 0.785 -10.333 1.00 0.00 C ATOM 310 OG1 THR A 23 58.320 2.156 -10.693 1.00 0.00 O ATOM 311 CG2 THR A 23 58.231 -0.082 -11.579 1.00 0.00 C ATOM 0 H THR A 23 58.090 0.572 -7.321 1.00 0.00 H new ATOM 0 HA THR A 23 56.336 0.758 -9.661 1.00 0.00 H new ATOM 0 HB THR A 23 59.393 0.586 -9.897 1.00 0.00 H new ATOM 0 HG1 THR A 23 57.521 2.548 -10.283 1.00 0.00 H new ATOM 0 HG21 THR A 23 59.009 0.155 -12.305 1.00 0.00 H new ATOM 0 HG22 THR A 23 58.301 -1.134 -11.303 1.00 0.00 H new ATOM 0 HG23 THR A 23 57.253 0.114 -12.018 1.00 0.00 H new ATOM 319 N ASN A 24 56.175 -1.682 -9.397 1.00 0.00 N ATOM 320 CA ASN A 24 56.055 -3.149 -9.164 1.00 0.00 C ATOM 321 C ASN A 24 56.278 -3.466 -7.682 1.00 0.00 C ATOM 322 O ASN A 24 56.743 -4.529 -7.324 1.00 0.00 O ATOM 323 CB ASN A 24 57.150 -3.777 -10.024 1.00 0.00 C ATOM 324 CG ASN A 24 56.627 -3.969 -11.450 1.00 0.00 C ATOM 325 OD1 ASN A 24 57.137 -3.262 -12.421 1.00 0.00 O flip ATOM 326 ND2 ASN A 24 55.741 -4.767 -11.680 1.00 0.00 N flip ATOM 0 H ASN A 24 55.363 -1.244 -9.832 1.00 0.00 H new ATOM 0 HA ASN A 24 55.068 -3.532 -9.424 1.00 0.00 H new ATOM 0 HB2 ASN A 24 58.033 -3.138 -10.031 1.00 0.00 H new ATOM 0 HB3 ASN A 24 57.453 -4.736 -9.604 1.00 0.00 H new ATOM 0 HD21 ASN A 24 55.343 -5.320 -10.921 1.00 0.00 H new ATOM 0 HD22 ASN A 24 55.395 -4.885 -12.632 1.00 0.00 H new ATOM 333 N CYS A 25 55.952 -2.543 -6.819 1.00 0.00 N ATOM 334 CA CYS A 25 56.146 -2.776 -5.358 1.00 0.00 C ATOM 335 C CYS A 25 54.805 -3.132 -4.689 1.00 0.00 C ATOM 336 O CYS A 25 53.751 -2.747 -5.156 1.00 0.00 O ATOM 337 CB CYS A 25 56.678 -1.437 -4.830 1.00 0.00 C ATOM 338 SG CYS A 25 58.371 -1.644 -4.213 1.00 0.00 S ATOM 0 H CYS A 25 55.558 -1.634 -7.063 1.00 0.00 H new ATOM 0 HA CYS A 25 56.824 -3.603 -5.150 1.00 0.00 H new ATOM 0 HB2 CYS A 25 56.660 -0.690 -5.624 1.00 0.00 H new ATOM 0 HB3 CYS A 25 56.033 -1.069 -4.032 1.00 0.00 H new ATOM 343 N TYR A 26 54.838 -3.841 -3.586 1.00 0.00 N ATOM 344 CA TYR A 26 53.569 -4.195 -2.875 1.00 0.00 C ATOM 345 C TYR A 26 53.607 -3.533 -1.504 1.00 0.00 C ATOM 346 O TYR A 26 52.637 -2.988 -1.023 1.00 0.00 O ATOM 347 CB TYR A 26 53.565 -5.722 -2.716 1.00 0.00 C ATOM 348 CG TYR A 26 54.059 -6.399 -3.974 1.00 0.00 C ATOM 349 CD1 TYR A 26 53.856 -5.805 -5.224 1.00 0.00 C ATOM 350 CD2 TYR A 26 54.713 -7.636 -3.884 1.00 0.00 C ATOM 351 CE1 TYR A 26 54.307 -6.446 -6.384 1.00 0.00 C ATOM 352 CE2 TYR A 26 55.165 -8.275 -5.045 1.00 0.00 C ATOM 353 CZ TYR A 26 54.963 -7.680 -6.295 1.00 0.00 C ATOM 354 OH TYR A 26 55.407 -8.310 -7.438 1.00 0.00 O ATOM 0 H TYR A 26 55.690 -4.190 -3.147 1.00 0.00 H new ATOM 0 HA TYR A 26 52.681 -3.865 -3.415 1.00 0.00 H new ATOM 0 HB2 TYR A 26 54.197 -6.005 -1.874 1.00 0.00 H new ATOM 0 HB3 TYR A 26 52.556 -6.065 -2.487 1.00 0.00 H new ATOM 0 HD1 TYR A 26 53.352 -4.853 -5.294 1.00 0.00 H new ATOM 0 HD2 TYR A 26 54.868 -8.096 -2.919 1.00 0.00 H new ATOM 0 HE1 TYR A 26 54.149 -5.988 -7.349 1.00 0.00 H new ATOM 0 HE2 TYR A 26 55.670 -9.227 -4.976 1.00 0.00 H new ATOM 0 HH TYR A 26 55.841 -9.155 -7.198 1.00 0.00 H new ATOM 364 N VAL A 27 54.757 -3.562 -0.903 1.00 0.00 N ATOM 365 CA VAL A 27 54.966 -2.925 0.427 1.00 0.00 C ATOM 366 C VAL A 27 53.949 -3.383 1.480 1.00 0.00 C ATOM 367 O VAL A 27 52.762 -3.468 1.237 1.00 0.00 O ATOM 368 CB VAL A 27 54.818 -1.434 0.164 1.00 0.00 C ATOM 369 CG1 VAL A 27 55.344 -0.659 1.373 1.00 0.00 C ATOM 370 CG2 VAL A 27 55.623 -1.049 -1.085 1.00 0.00 C ATOM 0 H VAL A 27 55.587 -4.013 -1.287 1.00 0.00 H new ATOM 0 HA VAL A 27 55.938 -3.199 0.837 1.00 0.00 H new ATOM 0 HB VAL A 27 53.768 -1.192 0.001 1.00 0.00 H new ATOM 0 HG11 VAL A 27 55.241 0.411 1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 27 54.771 -0.934 2.259 1.00 0.00 H new ATOM 0 HG13 VAL A 27 56.395 -0.901 1.531 1.00 0.00 H new ATOM 0 HG21 VAL A 27 55.516 0.019 -1.272 1.00 0.00 H new ATOM 0 HG22 VAL A 27 56.675 -1.286 -0.927 1.00 0.00 H new ATOM 0 HG23 VAL A 27 55.250 -1.607 -1.944 1.00 0.00 H new ATOM 380 N ASP A 28 54.431 -3.643 2.666 1.00 0.00 N ATOM 381 CA ASP A 28 53.540 -4.062 3.792 1.00 0.00 C ATOM 382 C ASP A 28 54.052 -3.417 5.087 1.00 0.00 C ATOM 383 O ASP A 28 55.170 -3.653 5.503 1.00 0.00 O ATOM 384 CB ASP A 28 53.660 -5.586 3.867 1.00 0.00 C ATOM 385 CG ASP A 28 52.361 -6.170 4.424 1.00 0.00 C ATOM 386 OD1 ASP A 28 51.485 -5.395 4.771 1.00 0.00 O ATOM 387 OD2 ASP A 28 52.263 -7.386 4.497 1.00 0.00 O ATOM 0 H ASP A 28 55.420 -3.582 2.908 1.00 0.00 H new ATOM 0 HA ASP A 28 52.503 -3.758 3.648 1.00 0.00 H new ATOM 0 HB2 ASP A 28 53.861 -5.995 2.877 1.00 0.00 H new ATOM 0 HB3 ASP A 28 54.500 -5.865 4.504 1.00 0.00 H new ATOM 392 N LYS A 29 53.262 -2.587 5.714 1.00 0.00 N ATOM 393 CA LYS A 29 53.737 -1.916 6.963 1.00 0.00 C ATOM 394 C LYS A 29 55.074 -1.229 6.690 1.00 0.00 C ATOM 395 O LYS A 29 56.098 -1.611 7.219 1.00 0.00 O ATOM 396 CB LYS A 29 53.927 -3.029 7.993 1.00 0.00 C ATOM 397 CG LYS A 29 52.570 -3.556 8.456 1.00 0.00 C ATOM 398 CD LYS A 29 52.718 -5.027 8.849 1.00 0.00 C ATOM 399 CE LYS A 29 51.336 -5.654 9.024 1.00 0.00 C ATOM 400 NZ LYS A 29 50.719 -4.904 10.151 1.00 0.00 N ATOM 0 H LYS A 29 52.316 -2.345 5.420 1.00 0.00 H new ATOM 0 HA LYS A 29 53.031 -1.163 7.315 1.00 0.00 H new ATOM 0 HB2 LYS A 29 54.512 -3.840 7.559 1.00 0.00 H new ATOM 0 HB3 LYS A 29 54.490 -2.652 8.847 1.00 0.00 H new ATOM 0 HG2 LYS A 29 52.209 -2.974 9.304 1.00 0.00 H new ATOM 0 HG3 LYS A 29 51.833 -3.451 7.660 1.00 0.00 H new ATOM 0 HD2 LYS A 29 53.277 -5.564 8.083 1.00 0.00 H new ATOM 0 HD3 LYS A 29 53.286 -5.111 9.776 1.00 0.00 H new ATOM 0 HE2 LYS A 29 50.742 -5.562 8.115 1.00 0.00 H new ATOM 0 HE3 LYS A 29 51.410 -6.718 9.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 49.942 -5.464 10.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 51.436 -4.726 10.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 50.347 -3.997 9.802 1.00 0.00 H new ATOM 414 N SER A 30 55.081 -0.225 5.859 1.00 0.00 N ATOM 415 CA SER A 30 56.363 0.466 5.552 1.00 0.00 C ATOM 416 C SER A 30 56.109 1.912 5.138 1.00 0.00 C ATOM 417 O SER A 30 55.072 2.247 4.601 1.00 0.00 O ATOM 418 CB SER A 30 56.967 -0.318 4.390 1.00 0.00 C ATOM 419 OG SER A 30 57.240 -1.648 4.813 1.00 0.00 O ATOM 0 H SER A 30 54.259 0.145 5.382 1.00 0.00 H new ATOM 0 HA SER A 30 57.025 0.497 6.417 1.00 0.00 H new ATOM 0 HB2 SER A 30 56.278 -0.327 3.545 1.00 0.00 H new ATOM 0 HB3 SER A 30 57.884 0.163 4.049 1.00 0.00 H new ATOM 0 HG SER A 30 56.533 -2.245 4.490 1.00 0.00 H new ATOM 425 N GLU A 31 57.058 2.768 5.378 1.00 0.00 N ATOM 426 CA GLU A 31 56.894 4.195 4.993 1.00 0.00 C ATOM 427 C GLU A 31 58.012 4.586 4.031 1.00 0.00 C ATOM 428 O GLU A 31 59.171 4.616 4.390 1.00 0.00 O ATOM 429 CB GLU A 31 57.001 4.978 6.297 1.00 0.00 C ATOM 430 CG GLU A 31 55.689 4.850 7.070 1.00 0.00 C ATOM 431 CD GLU A 31 55.967 4.983 8.568 1.00 0.00 C ATOM 432 OE1 GLU A 31 55.978 6.102 9.051 1.00 0.00 O ATOM 433 OE2 GLU A 31 56.167 3.962 9.206 1.00 0.00 O ATOM 0 H GLU A 31 57.945 2.540 5.827 1.00 0.00 H new ATOM 0 HA GLU A 31 55.947 4.392 4.491 1.00 0.00 H new ATOM 0 HB2 GLU A 31 57.828 4.598 6.896 1.00 0.00 H new ATOM 0 HB3 GLU A 31 57.213 6.027 6.089 1.00 0.00 H new ATOM 0 HG2 GLU A 31 54.988 5.621 6.749 1.00 0.00 H new ATOM 0 HG3 GLU A 31 55.222 3.888 6.860 1.00 0.00 H new ATOM 440 N VAL A 32 57.671 4.863 2.807 1.00 0.00 N ATOM 441 CA VAL A 32 58.713 5.230 1.810 1.00 0.00 C ATOM 442 C VAL A 32 58.583 6.704 1.421 1.00 0.00 C ATOM 443 O VAL A 32 57.516 7.282 1.486 1.00 0.00 O ATOM 444 CB VAL A 32 58.432 4.316 0.620 1.00 0.00 C ATOM 445 CG1 VAL A 32 59.575 4.412 -0.390 1.00 0.00 C ATOM 446 CG2 VAL A 32 58.312 2.869 1.110 1.00 0.00 C ATOM 0 H VAL A 32 56.715 4.852 2.452 1.00 0.00 H new ATOM 0 HA VAL A 32 59.727 5.107 2.191 1.00 0.00 H new ATOM 0 HB VAL A 32 57.502 4.624 0.142 1.00 0.00 H new ATOM 0 HG11 VAL A 32 59.368 3.757 -1.237 1.00 0.00 H new ATOM 0 HG12 VAL A 32 59.666 5.440 -0.740 1.00 0.00 H new ATOM 0 HG13 VAL A 32 60.507 4.107 0.085 1.00 0.00 H new ATOM 0 HG21 VAL A 32 58.111 2.213 0.263 1.00 0.00 H new ATOM 0 HG22 VAL A 32 59.244 2.568 1.589 1.00 0.00 H new ATOM 0 HG23 VAL A 32 57.495 2.795 1.828 1.00 0.00 H new ATOM 456 N TYR A 33 59.666 7.321 1.026 1.00 0.00 N ATOM 457 CA TYR A 33 59.601 8.764 0.647 1.00 0.00 C ATOM 458 C TYR A 33 60.564 9.069 -0.510 1.00 0.00 C ATOM 459 O TYR A 33 61.138 10.138 -0.579 1.00 0.00 O ATOM 460 CB TYR A 33 60.030 9.521 1.905 1.00 0.00 C ATOM 461 CG TYR A 33 58.902 9.532 2.914 1.00 0.00 C ATOM 462 CD1 TYR A 33 57.786 10.351 2.707 1.00 0.00 C ATOM 463 CD2 TYR A 33 58.977 8.729 4.061 1.00 0.00 C ATOM 464 CE1 TYR A 33 56.744 10.368 3.644 1.00 0.00 C ATOM 465 CE2 TYR A 33 57.935 8.747 4.999 1.00 0.00 C ATOM 466 CZ TYR A 33 56.819 9.566 4.790 1.00 0.00 C ATOM 467 OH TYR A 33 55.792 9.587 5.714 1.00 0.00 O ATOM 0 H TYR A 33 60.588 6.891 0.950 1.00 0.00 H new ATOM 0 HA TYR A 33 58.605 9.050 0.309 1.00 0.00 H new ATOM 0 HB2 TYR A 33 60.912 9.051 2.339 1.00 0.00 H new ATOM 0 HB3 TYR A 33 60.308 10.543 1.647 1.00 0.00 H new ATOM 0 HD1 TYR A 33 57.728 10.971 1.824 1.00 0.00 H new ATOM 0 HD2 TYR A 33 59.838 8.097 4.222 1.00 0.00 H new ATOM 0 HE1 TYR A 33 55.883 11.000 3.482 1.00 0.00 H new ATOM 0 HE2 TYR A 33 57.993 8.129 5.883 1.00 0.00 H new ATOM 0 HH TYR A 33 56.000 8.973 6.449 1.00 0.00 H new ATOM 477 N GLY A 34 60.744 8.147 -1.420 1.00 0.00 N ATOM 478 CA GLY A 34 61.668 8.406 -2.565 1.00 0.00 C ATOM 479 C GLY A 34 62.467 7.141 -2.894 1.00 0.00 C ATOM 480 O GLY A 34 63.651 7.198 -3.161 1.00 0.00 O ATOM 0 H GLY A 34 60.294 7.231 -1.421 1.00 0.00 H new ATOM 0 HA2 GLY A 34 61.098 8.722 -3.438 1.00 0.00 H new ATOM 0 HA3 GLY A 34 62.348 9.221 -2.316 1.00 0.00 H new ATOM 484 N THR A 35 61.835 6.000 -2.876 1.00 0.00 N ATOM 485 CA THR A 35 62.569 4.738 -3.186 1.00 0.00 C ATOM 486 C THR A 35 62.361 4.340 -4.650 1.00 0.00 C ATOM 487 O THR A 35 61.247 4.191 -5.111 1.00 0.00 O ATOM 488 CB THR A 35 61.956 3.690 -2.258 1.00 0.00 C ATOM 489 OG1 THR A 35 62.460 3.872 -0.942 1.00 0.00 O ATOM 490 CG2 THR A 35 62.313 2.288 -2.755 1.00 0.00 C ATOM 0 H THR A 35 60.845 5.886 -2.661 1.00 0.00 H new ATOM 0 HA THR A 35 63.644 4.843 -3.039 1.00 0.00 H new ATOM 0 HB THR A 35 60.872 3.802 -2.251 1.00 0.00 H new ATOM 0 HG1 THR A 35 62.716 4.810 -0.816 1.00 0.00 H new ATOM 0 HG21 THR A 35 61.874 1.544 -2.091 1.00 0.00 H new ATOM 0 HG22 THR A 35 61.923 2.149 -3.763 1.00 0.00 H new ATOM 0 HG23 THR A 35 63.397 2.171 -2.766 1.00 0.00 H new ATOM 498 N THR A 36 63.424 4.155 -5.382 1.00 0.00 N ATOM 499 CA THR A 36 63.279 3.754 -6.810 1.00 0.00 C ATOM 500 C THR A 36 63.003 2.246 -6.899 1.00 0.00 C ATOM 501 O THR A 36 63.708 1.510 -7.562 1.00 0.00 O ATOM 502 CB THR A 36 64.618 4.106 -7.461 1.00 0.00 C ATOM 503 OG1 THR A 36 64.856 5.499 -7.312 1.00 0.00 O ATOM 504 CG2 THR A 36 64.576 3.753 -8.949 1.00 0.00 C ATOM 0 H THR A 36 64.384 4.264 -5.055 1.00 0.00 H new ATOM 0 HA THR A 36 62.450 4.259 -7.306 1.00 0.00 H new ATOM 0 HB THR A 36 65.417 3.541 -6.980 1.00 0.00 H new ATOM 0 HG1 THR A 36 65.714 5.730 -7.726 1.00 0.00 H new ATOM 0 HG21 THR A 36 65.531 4.005 -9.410 1.00 0.00 H new ATOM 0 HG22 THR A 36 64.388 2.686 -9.065 1.00 0.00 H new ATOM 0 HG23 THR A 36 63.779 4.317 -9.434 1.00 0.00 H new ATOM 512 N CYS A 37 61.978 1.789 -6.227 1.00 0.00 N ATOM 513 CA CYS A 37 61.635 0.332 -6.251 1.00 0.00 C ATOM 514 C CYS A 37 61.674 -0.211 -7.687 1.00 0.00 C ATOM 515 O CYS A 37 61.304 0.467 -8.625 1.00 0.00 O ATOM 516 CB CYS A 37 60.213 0.269 -5.686 1.00 0.00 C ATOM 517 SG CYS A 37 59.552 -1.411 -5.840 1.00 0.00 S ATOM 0 H CYS A 37 61.358 2.366 -5.658 1.00 0.00 H new ATOM 0 HA CYS A 37 62.338 -0.272 -5.677 1.00 0.00 H new ATOM 0 HB2 CYS A 37 60.216 0.572 -4.639 1.00 0.00 H new ATOM 0 HB3 CYS A 37 59.571 0.970 -6.219 1.00 0.00 H new ATOM 522 N THR A 38 62.117 -1.429 -7.862 1.00 0.00 N ATOM 523 CA THR A 38 62.176 -2.017 -9.234 1.00 0.00 C ATOM 524 C THR A 38 61.387 -3.331 -9.279 1.00 0.00 C ATOM 525 O THR A 38 61.453 -4.076 -10.237 1.00 0.00 O ATOM 526 CB THR A 38 63.669 -2.259 -9.507 1.00 0.00 C ATOM 527 OG1 THR A 38 63.890 -2.262 -10.911 1.00 0.00 O ATOM 528 CG2 THR A 38 64.110 -3.606 -8.918 1.00 0.00 C ATOM 0 H THR A 38 62.441 -2.042 -7.114 1.00 0.00 H new ATOM 0 HA THR A 38 61.735 -1.362 -9.985 1.00 0.00 H new ATOM 0 HB THR A 38 64.250 -1.465 -9.038 1.00 0.00 H new ATOM 0 HG1 THR A 38 64.841 -2.414 -11.092 1.00 0.00 H new ATOM 0 HG21 THR A 38 65.170 -3.762 -9.120 1.00 0.00 H new ATOM 0 HG22 THR A 38 63.942 -3.605 -7.841 1.00 0.00 H new ATOM 0 HG23 THR A 38 63.532 -4.409 -9.374 1.00 0.00 H new ATOM 536 N GLY A 39 60.646 -3.619 -8.247 1.00 0.00 N ATOM 537 CA GLY A 39 59.858 -4.878 -8.218 1.00 0.00 C ATOM 538 C GLY A 39 60.126 -5.605 -6.901 1.00 0.00 C ATOM 539 O GLY A 39 60.268 -6.810 -6.860 1.00 0.00 O ATOM 0 H GLY A 39 60.553 -3.032 -7.418 1.00 0.00 H new ATOM 0 HA2 GLY A 39 58.795 -4.659 -8.317 1.00 0.00 H new ATOM 0 HA3 GLY A 39 60.132 -5.513 -9.061 1.00 0.00 H new ATOM 543 N SER A 40 60.196 -4.876 -5.820 1.00 0.00 N ATOM 544 CA SER A 40 60.456 -5.521 -4.502 1.00 0.00 C ATOM 545 C SER A 40 59.324 -5.196 -3.526 1.00 0.00 C ATOM 546 O SER A 40 58.285 -4.697 -3.911 1.00 0.00 O ATOM 547 CB SER A 40 61.771 -4.915 -4.015 1.00 0.00 C ATOM 548 OG SER A 40 62.788 -5.163 -4.977 1.00 0.00 O ATOM 0 H SER A 40 60.084 -3.862 -5.793 1.00 0.00 H new ATOM 0 HA SER A 40 60.512 -6.607 -4.577 1.00 0.00 H new ATOM 0 HB2 SER A 40 61.655 -3.842 -3.860 1.00 0.00 H new ATOM 0 HB3 SER A 40 62.050 -5.347 -3.054 1.00 0.00 H new ATOM 0 HG SER A 40 63.524 -4.530 -4.845 1.00 0.00 H new ATOM 554 N ARG A 41 59.514 -5.476 -2.266 1.00 0.00 N ATOM 555 CA ARG A 41 58.444 -5.182 -1.273 1.00 0.00 C ATOM 556 C ARG A 41 59.039 -5.071 0.134 1.00 0.00 C ATOM 557 O ARG A 41 60.163 -5.464 0.378 1.00 0.00 O ATOM 558 CB ARG A 41 57.486 -6.371 -1.363 1.00 0.00 C ATOM 559 CG ARG A 41 56.587 -6.403 -0.124 1.00 0.00 C ATOM 560 CD ARG A 41 55.554 -7.523 -0.265 1.00 0.00 C ATOM 561 NE ARG A 41 55.783 -8.404 0.914 1.00 0.00 N ATOM 562 CZ ARG A 41 55.117 -9.520 1.039 1.00 0.00 C ATOM 563 NH1 ARG A 41 55.533 -10.601 0.440 1.00 0.00 N ATOM 564 NH2 ARG A 41 54.035 -9.559 1.767 1.00 0.00 N ATOM 0 H ARG A 41 60.361 -5.894 -1.882 1.00 0.00 H new ATOM 0 HA ARG A 41 57.940 -4.237 -1.475 1.00 0.00 H new ATOM 0 HB2 ARG A 41 56.878 -6.293 -2.264 1.00 0.00 H new ATOM 0 HB3 ARG A 41 58.050 -7.300 -1.439 1.00 0.00 H new ATOM 0 HG2 ARG A 41 57.190 -6.561 0.770 1.00 0.00 H new ATOM 0 HG3 ARG A 41 56.083 -5.444 -0.003 1.00 0.00 H new ATOM 0 HD2 ARG A 41 54.539 -7.126 -0.271 1.00 0.00 H new ATOM 0 HD3 ARG A 41 55.688 -8.069 -1.199 1.00 0.00 H new ATOM 0 HE ARG A 41 56.462 -8.135 1.626 1.00 0.00 H new ATOM 0 HH11 ARG A 41 56.380 -10.576 -0.127 1.00 0.00 H new ATOM 0 HH12 ARG A 41 55.011 -11.472 0.539 1.00 0.00 H new ATOM 0 HH21 ARG A 41 53.708 -8.717 2.240 1.00 0.00 H new ATOM 0 HH22 ARG A 41 53.516 -10.432 1.863 1.00 0.00 H new ATOM 578 N PHE A 42 58.288 -4.543 1.060 1.00 0.00 N ATOM 579 CA PHE A 42 58.797 -4.407 2.455 1.00 0.00 C ATOM 580 C PHE A 42 57.867 -5.149 3.418 1.00 0.00 C ATOM 581 O PHE A 42 56.970 -5.857 3.001 1.00 0.00 O ATOM 582 CB PHE A 42 58.791 -2.902 2.735 1.00 0.00 C ATOM 583 CG PHE A 42 59.385 -2.169 1.555 1.00 0.00 C ATOM 584 CD1 PHE A 42 60.539 -2.661 0.934 1.00 0.00 C ATOM 585 CD2 PHE A 42 58.778 -1.000 1.078 1.00 0.00 C ATOM 586 CE1 PHE A 42 61.087 -1.986 -0.163 1.00 0.00 C ATOM 587 CE2 PHE A 42 59.327 -0.325 -0.020 1.00 0.00 C ATOM 588 CZ PHE A 42 60.481 -0.818 -0.640 1.00 0.00 C ATOM 0 H PHE A 42 57.340 -4.198 0.911 1.00 0.00 H new ATOM 0 HA PHE A 42 59.792 -4.832 2.584 1.00 0.00 H new ATOM 0 HB2 PHE A 42 57.772 -2.559 2.915 1.00 0.00 H new ATOM 0 HB3 PHE A 42 59.364 -2.687 3.637 1.00 0.00 H new ATOM 0 HD1 PHE A 42 61.007 -3.562 1.302 1.00 0.00 H new ATOM 0 HD2 PHE A 42 57.888 -0.619 1.556 1.00 0.00 H new ATOM 0 HE1 PHE A 42 61.977 -2.366 -0.641 1.00 0.00 H new ATOM 0 HE2 PHE A 42 58.860 0.576 -0.388 1.00 0.00 H new ATOM 0 HZ PHE A 42 60.904 -0.297 -1.486 1.00 0.00 H new ATOM 598 N ASP A 43 58.071 -5.008 4.698 1.00 0.00 N ATOM 599 CA ASP A 43 57.191 -5.722 5.669 1.00 0.00 C ATOM 600 C ASP A 43 57.408 -5.187 7.084 1.00 0.00 C ATOM 601 O ASP A 43 57.597 -5.937 8.021 1.00 0.00 O ATOM 602 CB ASP A 43 57.618 -7.188 5.578 1.00 0.00 C ATOM 603 CG ASP A 43 56.460 -8.087 6.010 1.00 0.00 C ATOM 604 OD1 ASP A 43 55.425 -7.553 6.373 1.00 0.00 O ATOM 605 OD2 ASP A 43 56.627 -9.295 5.967 1.00 0.00 O ATOM 0 H ASP A 43 58.804 -4.433 5.114 1.00 0.00 H new ATOM 0 HA ASP A 43 56.133 -5.586 5.443 1.00 0.00 H new ATOM 0 HB2 ASP A 43 57.917 -7.428 4.557 1.00 0.00 H new ATOM 0 HB3 ASP A 43 58.486 -7.365 6.214 1.00 0.00 H new ATOM 610 N GLY A 44 57.379 -3.897 7.249 1.00 0.00 N ATOM 611 CA GLY A 44 57.581 -3.323 8.604 1.00 0.00 C ATOM 612 C GLY A 44 58.825 -2.442 8.596 1.00 0.00 C ATOM 613 O GLY A 44 59.708 -2.591 9.418 1.00 0.00 O ATOM 0 H GLY A 44 57.224 -3.216 6.505 1.00 0.00 H new ATOM 0 HA2 GLY A 44 56.709 -2.739 8.898 1.00 0.00 H new ATOM 0 HA3 GLY A 44 57.691 -4.122 9.337 1.00 0.00 H new ATOM 617 N VAL A 45 58.917 -1.532 7.666 1.00 0.00 N ATOM 618 CA VAL A 45 60.128 -0.665 7.610 1.00 0.00 C ATOM 619 C VAL A 45 59.737 0.814 7.571 1.00 0.00 C ATOM 620 O VAL A 45 58.607 1.185 7.821 1.00 0.00 O ATOM 621 CB VAL A 45 60.861 -1.066 6.316 1.00 0.00 C ATOM 622 CG1 VAL A 45 60.701 -2.568 6.066 1.00 0.00 C ATOM 623 CG2 VAL A 45 60.282 -0.296 5.125 1.00 0.00 C ATOM 0 H VAL A 45 58.214 -1.352 6.949 1.00 0.00 H new ATOM 0 HA VAL A 45 60.757 -0.797 8.490 1.00 0.00 H new ATOM 0 HB VAL A 45 61.918 -0.825 6.427 1.00 0.00 H new ATOM 0 HG11 VAL A 45 61.223 -2.842 5.149 1.00 0.00 H new ATOM 0 HG12 VAL A 45 61.123 -3.123 6.903 1.00 0.00 H new ATOM 0 HG13 VAL A 45 59.643 -2.810 5.967 1.00 0.00 H new ATOM 0 HG21 VAL A 45 60.806 -0.586 4.215 1.00 0.00 H new ATOM 0 HG22 VAL A 45 59.222 -0.528 5.023 1.00 0.00 H new ATOM 0 HG23 VAL A 45 60.405 0.774 5.289 1.00 0.00 H new ATOM 633 N THR A 46 60.679 1.652 7.247 1.00 0.00 N ATOM 634 CA THR A 46 60.410 3.111 7.169 1.00 0.00 C ATOM 635 C THR A 46 61.514 3.772 6.342 1.00 0.00 C ATOM 636 O THR A 46 62.196 4.668 6.797 1.00 0.00 O ATOM 637 CB THR A 46 60.454 3.599 8.613 1.00 0.00 C ATOM 638 OG1 THR A 46 59.611 2.781 9.414 1.00 0.00 O ATOM 639 CG2 THR A 46 59.977 5.050 8.680 1.00 0.00 C ATOM 0 H THR A 46 61.638 1.383 7.030 1.00 0.00 H new ATOM 0 HA THR A 46 59.455 3.347 6.699 1.00 0.00 H new ATOM 0 HB THR A 46 61.477 3.540 8.985 1.00 0.00 H new ATOM 0 HG1 THR A 46 58.887 2.418 8.862 1.00 0.00 H new ATOM 0 HG21 THR A 46 60.009 5.396 9.713 1.00 0.00 H new ATOM 0 HG22 THR A 46 60.626 5.675 8.067 1.00 0.00 H new ATOM 0 HG23 THR A 46 58.955 5.114 8.308 1.00 0.00 H new ATOM 647 N ILE A 47 61.705 3.316 5.136 1.00 0.00 N ATOM 648 CA ILE A 47 62.776 3.888 4.273 1.00 0.00 C ATOM 649 C ILE A 47 62.348 5.245 3.705 1.00 0.00 C ATOM 650 O ILE A 47 61.216 5.664 3.847 1.00 0.00 O ATOM 651 CB ILE A 47 62.946 2.865 3.151 1.00 0.00 C ATOM 652 CG1 ILE A 47 63.986 3.367 2.147 1.00 0.00 C ATOM 653 CG2 ILE A 47 61.604 2.665 2.444 1.00 0.00 C ATOM 654 CD1 ILE A 47 64.327 2.252 1.154 1.00 0.00 C ATOM 0 H ILE A 47 61.161 2.566 4.708 1.00 0.00 H new ATOM 0 HA ILE A 47 63.701 4.063 4.822 1.00 0.00 H new ATOM 0 HB ILE A 47 63.284 1.917 3.571 1.00 0.00 H new ATOM 0 HG12 ILE A 47 63.601 4.236 1.614 1.00 0.00 H new ATOM 0 HG13 ILE A 47 64.886 3.688 2.671 1.00 0.00 H new ATOM 0 HG21 ILE A 47 61.720 1.936 1.642 1.00 0.00 H new ATOM 0 HG22 ILE A 47 60.866 2.303 3.160 1.00 0.00 H new ATOM 0 HG23 ILE A 47 61.268 3.614 2.025 1.00 0.00 H new ATOM 0 HD11 ILE A 47 65.068 2.614 0.441 1.00 0.00 H new ATOM 0 HD12 ILE A 47 64.731 1.395 1.693 1.00 0.00 H new ATOM 0 HD13 ILE A 47 63.425 1.952 0.620 1.00 0.00 H new ATOM 666 N THR A 48 63.253 5.932 3.061 1.00 0.00 N ATOM 667 CA THR A 48 62.920 7.263 2.478 1.00 0.00 C ATOM 668 C THR A 48 63.554 7.387 1.085 1.00 0.00 C ATOM 669 O THR A 48 63.522 6.458 0.301 1.00 0.00 O ATOM 670 CB THR A 48 63.522 8.273 3.459 1.00 0.00 C ATOM 671 OG1 THR A 48 64.906 8.001 3.628 1.00 0.00 O ATOM 672 CG2 THR A 48 62.810 8.153 4.810 1.00 0.00 C ATOM 0 H THR A 48 64.215 5.626 2.913 1.00 0.00 H new ATOM 0 HA THR A 48 61.849 7.422 2.348 1.00 0.00 H new ATOM 0 HB THR A 48 63.396 9.282 3.068 1.00 0.00 H new ATOM 0 HG1 THR A 48 65.292 8.648 4.254 1.00 0.00 H new ATOM 0 HG21 THR A 48 63.236 8.871 5.511 1.00 0.00 H new ATOM 0 HG22 THR A 48 61.747 8.359 4.681 1.00 0.00 H new ATOM 0 HG23 THR A 48 62.939 7.144 5.201 1.00 0.00 H new ATOM 680 N THR A 49 64.134 8.512 0.766 1.00 0.00 N ATOM 681 CA THR A 49 64.769 8.665 -0.578 1.00 0.00 C ATOM 682 C THR A 49 65.960 7.711 -0.703 1.00 0.00 C ATOM 683 O THR A 49 67.090 8.100 -0.496 1.00 0.00 O ATOM 684 CB THR A 49 65.259 10.110 -0.625 1.00 0.00 C ATOM 685 OG1 THR A 49 64.144 10.992 -0.625 1.00 0.00 O ATOM 686 CG2 THR A 49 66.083 10.321 -1.895 1.00 0.00 C ATOM 0 H THR A 49 64.197 9.329 1.373 1.00 0.00 H new ATOM 0 HA THR A 49 64.076 8.438 -1.388 1.00 0.00 H new ATOM 0 HB THR A 49 65.877 10.315 0.249 1.00 0.00 H new ATOM 0 HG1 THR A 49 63.314 10.471 -0.610 1.00 0.00 H new ATOM 0 HG21 THR A 49 66.435 11.352 -1.933 1.00 0.00 H new ATOM 0 HG22 THR A 49 66.938 9.645 -1.890 1.00 0.00 H new ATOM 0 HG23 THR A 49 65.464 10.117 -2.769 1.00 0.00 H new ATOM 694 N SER A 50 65.724 6.467 -1.022 1.00 0.00 N ATOM 695 CA SER A 50 66.860 5.501 -1.129 1.00 0.00 C ATOM 696 C SER A 50 66.729 4.622 -2.376 1.00 0.00 C ATOM 697 O SER A 50 65.640 4.291 -2.800 1.00 0.00 O ATOM 698 CB SER A 50 66.732 4.641 0.127 1.00 0.00 C ATOM 699 OG SER A 50 67.861 3.785 0.233 1.00 0.00 O ATOM 0 H SER A 50 64.801 6.078 -1.212 1.00 0.00 H new ATOM 0 HA SER A 50 67.821 6.009 -1.211 1.00 0.00 H new ATOM 0 HB2 SER A 50 66.660 5.276 1.010 1.00 0.00 H new ATOM 0 HB3 SER A 50 65.817 4.050 0.084 1.00 0.00 H new ATOM 0 HG SER A 50 68.241 3.633 -0.657 1.00 0.00 H new ATOM 705 N THR A 51 67.833 4.214 -2.954 1.00 0.00 N ATOM 706 CA THR A 51 67.748 3.331 -4.151 1.00 0.00 C ATOM 707 C THR A 51 67.876 1.873 -3.708 1.00 0.00 C ATOM 708 O THR A 51 68.807 1.498 -3.022 1.00 0.00 O ATOM 709 CB THR A 51 68.921 3.730 -5.047 1.00 0.00 C ATOM 710 OG1 THR A 51 69.414 4.998 -4.642 1.00 0.00 O ATOM 711 CG2 THR A 51 68.451 3.804 -6.501 1.00 0.00 C ATOM 0 H THR A 51 68.777 4.453 -2.651 1.00 0.00 H new ATOM 0 HA THR A 51 66.801 3.435 -4.680 1.00 0.00 H new ATOM 0 HB THR A 51 69.714 2.987 -4.961 1.00 0.00 H new ATOM 0 HG1 THR A 51 69.642 5.529 -5.434 1.00 0.00 H new ATOM 0 HG21 THR A 51 69.287 4.088 -7.140 1.00 0.00 H new ATOM 0 HG22 THR A 51 68.073 2.830 -6.811 1.00 0.00 H new ATOM 0 HG23 THR A 51 67.658 4.546 -6.590 1.00 0.00 H new ATOM 719 N SER A 52 66.941 1.054 -4.085 1.00 0.00 N ATOM 720 CA SER A 52 66.987 -0.380 -3.684 1.00 0.00 C ATOM 721 C SER A 52 66.616 -1.268 -4.873 1.00 0.00 C ATOM 722 O SER A 52 65.464 -1.372 -5.247 1.00 0.00 O ATOM 723 CB SER A 52 65.948 -0.509 -2.567 1.00 0.00 C ATOM 724 OG SER A 52 66.425 -1.412 -1.577 1.00 0.00 O ATOM 0 H SER A 52 66.139 1.316 -4.658 1.00 0.00 H new ATOM 0 HA SER A 52 67.978 -0.690 -3.354 1.00 0.00 H new ATOM 0 HB2 SER A 52 65.755 0.467 -2.121 1.00 0.00 H new ATOM 0 HB3 SER A 52 65.002 -0.866 -2.975 1.00 0.00 H new ATOM 0 HG SER A 52 66.031 -2.297 -1.725 1.00 0.00 H new ATOM 730 N THR A 53 67.582 -1.911 -5.468 1.00 0.00 N ATOM 731 CA THR A 53 67.278 -2.793 -6.631 1.00 0.00 C ATOM 732 C THR A 53 67.109 -4.233 -6.148 1.00 0.00 C ATOM 733 O THR A 53 68.070 -4.916 -5.862 1.00 0.00 O ATOM 734 CB THR A 53 68.490 -2.679 -7.555 1.00 0.00 C ATOM 735 OG1 THR A 53 69.114 -1.416 -7.367 1.00 0.00 O ATOM 736 CG2 THR A 53 68.037 -2.819 -9.008 1.00 0.00 C ATOM 0 H THR A 53 68.565 -1.865 -5.201 1.00 0.00 H new ATOM 0 HA THR A 53 66.358 -2.506 -7.141 1.00 0.00 H new ATOM 0 HB THR A 53 69.202 -3.470 -7.321 1.00 0.00 H new ATOM 0 HG1 THR A 53 69.539 -1.134 -8.203 1.00 0.00 H new ATOM 0 HG21 THR A 53 68.901 -2.738 -9.668 1.00 0.00 H new ATOM 0 HG22 THR A 53 67.562 -3.790 -9.149 1.00 0.00 H new ATOM 0 HG23 THR A 53 67.324 -2.029 -9.245 1.00 0.00 H new ATOM 744 N GLY A 54 65.897 -4.699 -6.040 1.00 0.00 N ATOM 745 CA GLY A 54 65.690 -6.091 -5.557 1.00 0.00 C ATOM 746 C GLY A 54 66.258 -6.208 -4.142 1.00 0.00 C ATOM 747 O GLY A 54 67.429 -6.472 -3.953 1.00 0.00 O ATOM 0 H GLY A 54 65.047 -4.181 -6.263 1.00 0.00 H new ATOM 0 HA2 GLY A 54 64.628 -6.338 -5.560 1.00 0.00 H new ATOM 0 HA3 GLY A 54 66.184 -6.799 -6.222 1.00 0.00 H new ATOM 751 N SER A 55 65.443 -5.999 -3.143 1.00 0.00 N ATOM 752 CA SER A 55 65.944 -6.088 -1.741 1.00 0.00 C ATOM 753 C SER A 55 64.772 -6.149 -0.758 1.00 0.00 C ATOM 754 O SER A 55 63.953 -5.253 -0.701 1.00 0.00 O ATOM 755 CB SER A 55 66.741 -4.801 -1.527 1.00 0.00 C ATOM 756 OG SER A 55 65.848 -3.694 -1.509 1.00 0.00 O ATOM 0 H SER A 55 64.453 -5.771 -3.237 1.00 0.00 H new ATOM 0 HA SER A 55 66.546 -6.982 -1.577 1.00 0.00 H new ATOM 0 HB2 SER A 55 67.293 -4.853 -0.589 1.00 0.00 H new ATOM 0 HB3 SER A 55 67.476 -4.678 -2.323 1.00 0.00 H new ATOM 0 HG SER A 55 64.924 -4.018 -1.551 1.00 0.00 H new ATOM 762 N ARG A 56 64.687 -7.189 0.027 1.00 0.00 N ATOM 763 CA ARG A 56 63.569 -7.279 1.007 1.00 0.00 C ATOM 764 C ARG A 56 63.908 -6.449 2.243 1.00 0.00 C ATOM 765 O ARG A 56 64.823 -6.760 2.983 1.00 0.00 O ATOM 766 CB ARG A 56 63.449 -8.759 1.363 1.00 0.00 C ATOM 767 CG ARG A 56 61.990 -9.191 1.210 1.00 0.00 C ATOM 768 CD ARG A 56 61.412 -9.550 2.580 1.00 0.00 C ATOM 769 NE ARG A 56 60.092 -10.178 2.287 1.00 0.00 N ATOM 770 CZ ARG A 56 59.668 -11.174 3.017 1.00 0.00 C ATOM 771 NH1 ARG A 56 60.242 -11.432 4.161 1.00 0.00 N ATOM 772 NH2 ARG A 56 58.670 -11.908 2.605 1.00 0.00 N ATOM 0 H ARG A 56 65.338 -7.974 0.032 1.00 0.00 H new ATOM 0 HA ARG A 56 62.632 -6.896 0.604 1.00 0.00 H new ATOM 0 HB2 ARG A 56 64.089 -9.356 0.713 1.00 0.00 H new ATOM 0 HB3 ARG A 56 63.787 -8.929 2.385 1.00 0.00 H new ATOM 0 HG2 ARG A 56 61.408 -8.387 0.758 1.00 0.00 H new ATOM 0 HG3 ARG A 56 61.923 -10.048 0.540 1.00 0.00 H new ATOM 0 HD2 ARG A 56 62.066 -10.237 3.117 1.00 0.00 H new ATOM 0 HD3 ARG A 56 61.298 -8.664 3.205 1.00 0.00 H new ATOM 0 HE ARG A 56 59.521 -9.830 1.517 1.00 0.00 H new ATOM 0 HH11 ARG A 56 61.020 -10.856 4.483 1.00 0.00 H new ATOM 0 HH12 ARG A 56 59.912 -12.210 4.733 1.00 0.00 H new ATOM 0 HH21 ARG A 56 58.221 -11.704 1.712 1.00 0.00 H new ATOM 0 HH22 ARG A 56 58.339 -12.686 3.176 1.00 0.00 H new ATOM 786 N ILE A 57 63.190 -5.386 2.464 1.00 0.00 N ATOM 787 CA ILE A 57 63.480 -4.522 3.640 1.00 0.00 C ATOM 788 C ILE A 57 62.709 -5.003 4.872 1.00 0.00 C ATOM 789 O ILE A 57 62.622 -4.313 5.868 1.00 0.00 O ATOM 790 CB ILE A 57 63.024 -3.126 3.224 1.00 0.00 C ATOM 791 CG1 ILE A 57 63.505 -2.831 1.798 1.00 0.00 C ATOM 792 CG2 ILE A 57 63.627 -2.106 4.184 1.00 0.00 C ATOM 793 CD1 ILE A 57 65.028 -2.953 1.736 1.00 0.00 C ATOM 0 H ILE A 57 62.413 -5.077 1.880 1.00 0.00 H new ATOM 0 HA ILE A 57 64.535 -4.543 3.913 1.00 0.00 H new ATOM 0 HB ILE A 57 61.936 -3.068 3.254 1.00 0.00 H new ATOM 0 HG12 ILE A 57 63.045 -3.527 1.097 1.00 0.00 H new ATOM 0 HG13 ILE A 57 63.198 -1.829 1.500 1.00 0.00 H new ATOM 0 HG21 ILE A 57 63.308 -1.104 3.897 1.00 0.00 H new ATOM 0 HG22 ILE A 57 63.290 -2.318 5.199 1.00 0.00 H new ATOM 0 HG23 ILE A 57 64.715 -2.167 4.143 1.00 0.00 H new ATOM 0 HD11 ILE A 57 65.369 -2.743 0.722 1.00 0.00 H new ATOM 0 HD12 ILE A 57 65.479 -2.239 2.425 1.00 0.00 H new ATOM 0 HD13 ILE A 57 65.324 -3.964 2.016 1.00 0.00 H new ATOM 805 N SER A 58 62.158 -6.183 4.817 1.00 0.00 N ATOM 806 CA SER A 58 61.400 -6.710 5.991 1.00 0.00 C ATOM 807 C SER A 58 62.151 -6.405 7.287 1.00 0.00 C ATOM 808 O SER A 58 63.362 -6.489 7.347 1.00 0.00 O ATOM 809 CB SER A 58 61.334 -8.218 5.770 1.00 0.00 C ATOM 810 OG SER A 58 60.038 -8.571 5.307 1.00 0.00 O ATOM 0 H SER A 58 62.198 -6.807 4.011 1.00 0.00 H new ATOM 0 HA SER A 58 60.411 -6.259 6.077 1.00 0.00 H new ATOM 0 HB2 SER A 58 62.087 -8.523 5.044 1.00 0.00 H new ATOM 0 HB3 SER A 58 61.556 -8.743 6.699 1.00 0.00 H new ATOM 0 HG SER A 58 59.755 -9.407 5.733 1.00 0.00 H new ATOM 816 N GLY A 59 61.447 -6.059 8.330 1.00 0.00 N ATOM 817 CA GLY A 59 62.132 -5.762 9.616 1.00 0.00 C ATOM 818 C GLY A 59 61.099 -5.356 10.663 1.00 0.00 C ATOM 819 O GLY A 59 60.108 -4.729 10.344 1.00 0.00 O ATOM 0 H GLY A 59 60.431 -5.970 8.346 1.00 0.00 H new ATOM 0 HA2 GLY A 59 62.685 -6.638 9.956 1.00 0.00 H new ATOM 0 HA3 GLY A 59 62.858 -4.961 9.477 1.00 0.00 H new ATOM 823 N PRO A 60 61.368 -5.722 11.883 1.00 0.00 N ATOM 824 CA PRO A 60 60.451 -5.384 12.991 1.00 0.00 C ATOM 825 C PRO A 60 60.628 -3.909 13.355 1.00 0.00 C ATOM 826 O PRO A 60 60.917 -3.562 14.481 1.00 0.00 O ATOM 827 CB PRO A 60 60.908 -6.296 14.126 1.00 0.00 C ATOM 828 CG PRO A 60 62.344 -6.606 13.831 1.00 0.00 C ATOM 829 CD PRO A 60 62.541 -6.475 12.341 1.00 0.00 C ATOM 0 HA PRO A 60 59.396 -5.524 12.755 1.00 0.00 H new ATOM 0 HB2 PRO A 60 60.803 -5.804 15.093 1.00 0.00 H new ATOM 0 HB3 PRO A 60 60.309 -7.206 14.165 1.00 0.00 H new ATOM 0 HG2 PRO A 60 63.002 -5.921 14.366 1.00 0.00 H new ATOM 0 HG3 PRO A 60 62.595 -7.613 14.163 1.00 0.00 H new ATOM 0 HD2 PRO A 60 63.467 -5.949 12.107 1.00 0.00 H new ATOM 0 HD3 PRO A 60 62.599 -7.452 11.860 1.00 0.00 H new ATOM 837 N GLY A 61 60.470 -3.041 12.391 1.00 0.00 N ATOM 838 CA GLY A 61 60.644 -1.587 12.651 1.00 0.00 C ATOM 839 C GLY A 61 61.815 -1.071 11.809 1.00 0.00 C ATOM 840 O GLY A 61 62.396 -0.042 12.096 1.00 0.00 O ATOM 0 H GLY A 61 60.226 -3.281 11.430 1.00 0.00 H new ATOM 0 HA2 GLY A 61 59.731 -1.047 12.399 1.00 0.00 H new ATOM 0 HA3 GLY A 61 60.835 -1.413 13.710 1.00 0.00 H new ATOM 844 N CYS A 62 62.170 -1.788 10.773 1.00 0.00 N ATOM 845 CA CYS A 62 63.308 -1.360 9.904 1.00 0.00 C ATOM 846 C CYS A 62 63.300 0.155 9.699 1.00 0.00 C ATOM 847 O CYS A 62 62.257 0.780 9.652 1.00 0.00 O ATOM 848 CB CYS A 62 63.073 -2.071 8.572 1.00 0.00 C ATOM 849 SG CYS A 62 64.394 -3.274 8.288 1.00 0.00 S ATOM 0 H CYS A 62 61.717 -2.657 10.490 1.00 0.00 H new ATOM 0 HA CYS A 62 64.271 -1.610 10.348 1.00 0.00 H new ATOM 0 HB2 CYS A 62 62.106 -2.573 8.581 1.00 0.00 H new ATOM 0 HB3 CYS A 62 63.047 -1.345 7.760 1.00 0.00 H new ATOM 854 N LYS A 63 64.455 0.751 9.569 1.00 0.00 N ATOM 855 CA LYS A 63 64.515 2.225 9.360 1.00 0.00 C ATOM 856 C LYS A 63 65.711 2.581 8.474 1.00 0.00 C ATOM 857 O LYS A 63 66.830 2.633 8.932 1.00 0.00 O ATOM 858 CB LYS A 63 64.702 2.807 10.757 1.00 0.00 C ATOM 859 CG LYS A 63 64.799 4.331 10.666 1.00 0.00 C ATOM 860 CD LYS A 63 64.903 4.914 12.076 1.00 0.00 C ATOM 861 CE LYS A 63 64.845 6.441 12.011 1.00 0.00 C ATOM 862 NZ LYS A 63 63.898 6.830 13.094 1.00 0.00 N ATOM 0 H LYS A 63 65.359 0.280 9.599 1.00 0.00 H new ATOM 0 HA LYS A 63 63.623 2.612 8.867 1.00 0.00 H new ATOM 0 HB2 LYS A 63 63.866 2.523 11.396 1.00 0.00 H new ATOM 0 HB3 LYS A 63 65.605 2.401 11.214 1.00 0.00 H new ATOM 0 HG2 LYS A 63 65.670 4.617 10.076 1.00 0.00 H new ATOM 0 HG3 LYS A 63 63.923 4.733 10.157 1.00 0.00 H new ATOM 0 HD2 LYS A 63 64.090 4.536 12.696 1.00 0.00 H new ATOM 0 HD3 LYS A 63 65.835 4.596 12.543 1.00 0.00 H new ATOM 0 HE2 LYS A 63 65.829 6.882 12.169 1.00 0.00 H new ATOM 0 HE3 LYS A 63 64.495 6.783 11.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 63.802 7.865 13.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 62.968 6.400 12.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 64.261 6.496 14.009 1.00 0.00 H new ATOM 876 N ILE A 64 65.489 2.828 7.211 1.00 0.00 N ATOM 877 CA ILE A 64 66.635 3.178 6.320 1.00 0.00 C ATOM 878 C ILE A 64 66.480 4.600 5.786 1.00 0.00 C ATOM 879 O ILE A 64 65.384 5.093 5.608 1.00 0.00 O ATOM 880 CB ILE A 64 66.588 2.171 5.173 1.00 0.00 C ATOM 881 CG1 ILE A 64 66.691 0.754 5.737 1.00 0.00 C ATOM 882 CG2 ILE A 64 67.759 2.424 4.220 1.00 0.00 C ATOM 883 CD1 ILE A 64 65.517 -0.076 5.223 1.00 0.00 C ATOM 0 H ILE A 64 64.574 2.803 6.760 1.00 0.00 H new ATOM 0 HA ILE A 64 67.585 3.138 6.852 1.00 0.00 H new ATOM 0 HB ILE A 64 65.649 2.282 4.631 1.00 0.00 H new ATOM 0 HG12 ILE A 64 67.634 0.298 5.436 1.00 0.00 H new ATOM 0 HG13 ILE A 64 66.683 0.782 6.827 1.00 0.00 H new ATOM 0 HG21 ILE A 64 67.724 1.705 3.402 1.00 0.00 H new ATOM 0 HG22 ILE A 64 67.689 3.435 3.818 1.00 0.00 H new ATOM 0 HG23 ILE A 64 68.699 2.313 4.761 1.00 0.00 H new ATOM 0 HD11 ILE A 64 65.585 -1.088 5.622 1.00 0.00 H new ATOM 0 HD12 ILE A 64 64.581 0.379 5.546 1.00 0.00 H new ATOM 0 HD13 ILE A 64 65.546 -0.112 4.134 1.00 0.00 H new ATOM 895 N SER A 65 67.574 5.263 5.527 1.00 0.00 N ATOM 896 CA SER A 65 67.485 6.658 5.002 1.00 0.00 C ATOM 897 C SER A 65 68.573 6.927 3.954 1.00 0.00 C ATOM 898 O SER A 65 69.752 6.883 4.239 1.00 0.00 O ATOM 899 CB SER A 65 67.681 7.560 6.221 1.00 0.00 C ATOM 900 OG SER A 65 67.184 6.901 7.379 1.00 0.00 O ATOM 0 H SER A 65 68.520 4.903 5.655 1.00 0.00 H new ATOM 0 HA SER A 65 66.531 6.838 4.506 1.00 0.00 H new ATOM 0 HB2 SER A 65 68.738 7.795 6.348 1.00 0.00 H new ATOM 0 HB3 SER A 65 67.160 8.506 6.075 1.00 0.00 H new ATOM 0 HG SER A 65 67.310 7.476 8.162 1.00 0.00 H new ATOM 906 N THR A 66 68.173 7.222 2.749 1.00 0.00 N ATOM 907 CA THR A 66 69.159 7.518 1.666 1.00 0.00 C ATOM 908 C THR A 66 70.184 6.391 1.503 1.00 0.00 C ATOM 909 O THR A 66 71.305 6.483 1.958 1.00 0.00 O ATOM 910 CB THR A 66 69.847 8.811 2.092 1.00 0.00 C ATOM 911 OG1 THR A 66 68.919 9.624 2.796 1.00 0.00 O ATOM 912 CG2 THR A 66 70.341 9.553 0.848 1.00 0.00 C ATOM 0 H THR A 66 67.195 7.272 2.463 1.00 0.00 H new ATOM 0 HA THR A 66 68.664 7.611 0.700 1.00 0.00 H new ATOM 0 HB THR A 66 70.694 8.584 2.739 1.00 0.00 H new ATOM 0 HG1 THR A 66 69.357 10.456 3.073 1.00 0.00 H new ATOM 0 HG21 THR A 66 70.834 10.478 1.148 1.00 0.00 H new ATOM 0 HG22 THR A 66 71.048 8.925 0.306 1.00 0.00 H new ATOM 0 HG23 THR A 66 69.494 9.786 0.203 1.00 0.00 H new ATOM 920 N CYS A 67 69.811 5.348 0.818 1.00 0.00 N ATOM 921 CA CYS A 67 70.754 4.220 0.570 1.00 0.00 C ATOM 922 C CYS A 67 70.592 3.766 -0.882 1.00 0.00 C ATOM 923 O CYS A 67 69.500 3.522 -1.349 1.00 0.00 O ATOM 924 CB CYS A 67 70.353 3.105 1.542 1.00 0.00 C ATOM 925 SG CYS A 67 71.821 2.139 1.986 1.00 0.00 S ATOM 0 H CYS A 67 68.882 5.226 0.414 1.00 0.00 H new ATOM 0 HA CYS A 67 71.796 4.499 0.725 1.00 0.00 H new ATOM 0 HB2 CYS A 67 69.901 3.532 2.437 1.00 0.00 H new ATOM 0 HB3 CYS A 67 69.604 2.459 1.084 1.00 0.00 H new ATOM 930 N ILE A 68 71.665 3.667 -1.608 1.00 0.00 N ATOM 931 CA ILE A 68 71.556 3.249 -3.038 1.00 0.00 C ATOM 932 C ILE A 68 71.471 1.714 -3.148 1.00 0.00 C ATOM 933 O ILE A 68 71.550 1.149 -4.219 1.00 0.00 O ATOM 934 CB ILE A 68 72.829 3.792 -3.686 1.00 0.00 C ATOM 935 CG1 ILE A 68 72.609 5.251 -4.098 1.00 0.00 C ATOM 936 CG2 ILE A 68 73.151 2.962 -4.914 1.00 0.00 C ATOM 937 CD1 ILE A 68 72.471 6.121 -2.848 1.00 0.00 C ATOM 0 H ILE A 68 72.612 3.856 -1.279 1.00 0.00 H new ATOM 0 HA ILE A 68 70.658 3.630 -3.525 1.00 0.00 H new ATOM 0 HB ILE A 68 73.656 3.738 -2.978 1.00 0.00 H new ATOM 0 HG12 ILE A 68 73.445 5.598 -4.705 1.00 0.00 H new ATOM 0 HG13 ILE A 68 71.713 5.335 -4.713 1.00 0.00 H new ATOM 0 HG21 ILE A 68 74.058 3.343 -5.383 1.00 0.00 H new ATOM 0 HG22 ILE A 68 73.302 1.923 -4.621 1.00 0.00 H new ATOM 0 HG23 ILE A 68 72.324 3.023 -5.621 1.00 0.00 H new ATOM 0 HD11 ILE A 68 72.315 7.159 -3.142 1.00 0.00 H new ATOM 0 HD12 ILE A 68 71.620 5.779 -2.259 1.00 0.00 H new ATOM 0 HD13 ILE A 68 73.380 6.046 -2.251 1.00 0.00 H new ATOM 949 N ILE A 69 71.310 1.070 -2.029 1.00 0.00 N ATOM 950 CA ILE A 69 71.203 -0.428 -1.951 1.00 0.00 C ATOM 951 C ILE A 69 70.855 -1.051 -3.307 1.00 0.00 C ATOM 952 O ILE A 69 70.036 -0.542 -4.047 1.00 0.00 O ATOM 953 CB ILE A 69 70.072 -0.682 -0.950 1.00 0.00 C ATOM 954 CG1 ILE A 69 70.384 0.022 0.376 1.00 0.00 C ATOM 955 CG2 ILE A 69 69.931 -2.185 -0.711 1.00 0.00 C ATOM 956 CD1 ILE A 69 69.219 -0.164 1.341 1.00 0.00 C ATOM 0 H ILE A 69 71.245 1.533 -1.123 1.00 0.00 H new ATOM 0 HA ILE A 69 72.150 -0.877 -1.651 1.00 0.00 H new ATOM 0 HB ILE A 69 69.139 -0.288 -1.354 1.00 0.00 H new ATOM 0 HG12 ILE A 69 71.297 -0.386 0.810 1.00 0.00 H new ATOM 0 HG13 ILE A 69 70.560 1.084 0.203 1.00 0.00 H new ATOM 0 HG21 ILE A 69 69.126 -2.366 0.001 1.00 0.00 H new ATOM 0 HG22 ILE A 69 69.701 -2.683 -1.653 1.00 0.00 H new ATOM 0 HG23 ILE A 69 70.865 -2.579 -0.311 1.00 0.00 H new ATOM 0 HD11 ILE A 69 69.443 0.337 2.283 1.00 0.00 H new ATOM 0 HD12 ILE A 69 68.316 0.265 0.908 1.00 0.00 H new ATOM 0 HD13 ILE A 69 69.064 -1.227 1.524 1.00 0.00 H new ATOM 968 N THR A 70 71.473 -2.152 -3.644 1.00 0.00 N ATOM 969 CA THR A 70 71.174 -2.787 -4.960 1.00 0.00 C ATOM 970 C THR A 70 71.321 -4.310 -4.894 1.00 0.00 C ATOM 971 O THR A 70 72.409 -4.842 -4.964 1.00 0.00 O ATOM 972 CB THR A 70 72.211 -2.203 -5.917 1.00 0.00 C ATOM 973 OG1 THR A 70 71.984 -0.810 -6.074 1.00 0.00 O ATOM 974 CG2 THR A 70 72.092 -2.902 -7.270 1.00 0.00 C ATOM 0 H THR A 70 72.165 -2.635 -3.071 1.00 0.00 H new ATOM 0 HA THR A 70 70.149 -2.591 -5.274 1.00 0.00 H new ATOM 0 HB THR A 70 73.212 -2.357 -5.513 1.00 0.00 H new ATOM 0 HG1 THR A 70 71.106 -0.666 -6.484 1.00 0.00 H new ATOM 0 HG21 THR A 70 72.830 -2.490 -7.959 1.00 0.00 H new ATOM 0 HG22 THR A 70 72.270 -3.970 -7.145 1.00 0.00 H new ATOM 0 HG23 THR A 70 71.092 -2.745 -7.674 1.00 0.00 H new ATOM 982 N GLY A 71 70.231 -5.016 -4.786 1.00 0.00 N ATOM 983 CA GLY A 71 70.309 -6.504 -4.736 1.00 0.00 C ATOM 984 C GLY A 71 70.401 -6.959 -3.283 1.00 0.00 C ATOM 985 O GLY A 71 71.104 -7.895 -2.958 1.00 0.00 O ATOM 0 H GLY A 71 69.289 -4.628 -4.730 1.00 0.00 H new ATOM 0 HA2 GLY A 71 69.430 -6.941 -5.210 1.00 0.00 H new ATOM 0 HA3 GLY A 71 71.179 -6.852 -5.293 1.00 0.00 H new ATOM 989 N GLY A 72 69.699 -6.301 -2.406 1.00 0.00 N ATOM 990 CA GLY A 72 69.753 -6.692 -0.970 1.00 0.00 C ATOM 991 C GLY A 72 71.111 -6.285 -0.396 1.00 0.00 C ATOM 992 O GLY A 72 71.498 -6.705 0.676 1.00 0.00 O ATOM 0 H GLY A 72 69.091 -5.511 -2.620 1.00 0.00 H new ATOM 0 HA2 GLY A 72 68.949 -6.206 -0.417 1.00 0.00 H new ATOM 0 HA3 GLY A 72 69.607 -7.767 -0.866 1.00 0.00 H new ATOM 996 N VAL A 73 71.841 -5.473 -1.112 1.00 0.00 N ATOM 997 CA VAL A 73 73.181 -5.037 -0.627 1.00 0.00 C ATOM 998 C VAL A 73 73.217 -3.515 -0.487 1.00 0.00 C ATOM 999 O VAL A 73 72.750 -2.808 -1.356 1.00 0.00 O ATOM 1000 CB VAL A 73 74.154 -5.476 -1.722 1.00 0.00 C ATOM 1001 CG1 VAL A 73 73.907 -6.943 -2.090 1.00 0.00 C ATOM 1002 CG2 VAL A 73 73.940 -4.594 -2.955 1.00 0.00 C ATOM 0 H VAL A 73 71.565 -5.091 -2.017 1.00 0.00 H new ATOM 0 HA VAL A 73 73.426 -5.463 0.346 1.00 0.00 H new ATOM 0 HB VAL A 73 75.178 -5.373 -1.362 1.00 0.00 H new ATOM 0 HG11 VAL A 73 74.605 -7.245 -2.871 1.00 0.00 H new ATOM 0 HG12 VAL A 73 74.054 -7.569 -1.210 1.00 0.00 H new ATOM 0 HG13 VAL A 73 72.886 -7.060 -2.452 1.00 0.00 H new ATOM 0 HG21 VAL A 73 74.629 -4.898 -3.743 1.00 0.00 H new ATOM 0 HG22 VAL A 73 72.914 -4.704 -3.307 1.00 0.00 H new ATOM 0 HG23 VAL A 73 74.124 -3.552 -2.693 1.00 0.00 H new ATOM 1012 N PRO A 74 73.782 -3.057 0.594 1.00 0.00 N ATOM 1013 CA PRO A 74 73.884 -1.600 0.826 1.00 0.00 C ATOM 1014 C PRO A 74 74.989 -0.990 -0.042 1.00 0.00 C ATOM 1015 O PRO A 74 76.033 -1.579 -0.243 1.00 0.00 O ATOM 1016 CB PRO A 74 74.238 -1.493 2.303 1.00 0.00 C ATOM 1017 CG PRO A 74 74.895 -2.795 2.647 1.00 0.00 C ATOM 1018 CD PRO A 74 74.364 -3.837 1.690 1.00 0.00 C ATOM 0 HA PRO A 74 72.969 -1.066 0.571 1.00 0.00 H new ATOM 0 HB2 PRO A 74 74.908 -0.653 2.487 1.00 0.00 H new ATOM 0 HB3 PRO A 74 73.348 -1.329 2.910 1.00 0.00 H new ATOM 0 HG2 PRO A 74 75.978 -2.712 2.562 1.00 0.00 H new ATOM 0 HG3 PRO A 74 74.677 -3.074 3.678 1.00 0.00 H new ATOM 0 HD2 PRO A 74 75.159 -4.492 1.334 1.00 0.00 H new ATOM 0 HD3 PRO A 74 73.617 -4.472 2.167 1.00 0.00 H new ATOM 1026 N ALA A 75 74.766 0.190 -0.551 1.00 0.00 N ATOM 1027 CA ALA A 75 75.799 0.851 -1.399 1.00 0.00 C ATOM 1028 C ALA A 75 76.654 1.782 -0.535 1.00 0.00 C ATOM 1029 O ALA A 75 76.309 2.066 0.595 1.00 0.00 O ATOM 1030 CB ALA A 75 75.006 1.654 -2.433 1.00 0.00 C ATOM 0 H ALA A 75 73.910 0.727 -0.416 1.00 0.00 H new ATOM 0 HA ALA A 75 76.474 0.138 -1.872 1.00 0.00 H new ATOM 0 HB1 ALA A 75 75.696 2.172 -3.098 1.00 0.00 H new ATOM 0 HB2 ALA A 75 74.379 0.979 -3.015 1.00 0.00 H new ATOM 0 HB3 ALA A 75 74.377 2.383 -1.923 1.00 0.00 H new ATOM 1036 N PRO A 76 77.746 2.232 -1.094 1.00 0.00 N ATOM 1037 CA PRO A 76 78.653 3.145 -0.356 1.00 0.00 C ATOM 1038 C PRO A 76 78.013 4.529 -0.228 1.00 0.00 C ATOM 1039 O PRO A 76 78.408 5.471 -0.885 1.00 0.00 O ATOM 1040 CB PRO A 76 79.900 3.198 -1.232 1.00 0.00 C ATOM 1041 CG PRO A 76 79.421 2.860 -2.606 1.00 0.00 C ATOM 1042 CD PRO A 76 78.235 1.943 -2.447 1.00 0.00 C ATOM 0 HA PRO A 76 78.871 2.812 0.659 1.00 0.00 H new ATOM 0 HB2 PRO A 76 80.359 4.186 -1.206 1.00 0.00 H new ATOM 0 HB3 PRO A 76 80.653 2.488 -0.890 1.00 0.00 H new ATOM 0 HG2 PRO A 76 79.140 3.762 -3.149 1.00 0.00 H new ATOM 0 HG3 PRO A 76 80.210 2.374 -3.181 1.00 0.00 H new ATOM 0 HD2 PRO A 76 77.472 2.143 -3.199 1.00 0.00 H new ATOM 0 HD3 PRO A 76 78.522 0.897 -2.554 1.00 0.00 H new ATOM 1050 N SER A 77 77.020 4.651 0.609 1.00 0.00 N ATOM 1051 CA SER A 77 76.341 5.967 0.780 1.00 0.00 C ATOM 1052 C SER A 77 76.557 6.494 2.202 1.00 0.00 C ATOM 1053 O SER A 77 75.984 5.997 3.153 1.00 0.00 O ATOM 1054 CB SER A 77 74.861 5.676 0.536 1.00 0.00 C ATOM 1055 OG SER A 77 74.184 6.886 0.218 1.00 0.00 O ATOM 0 H SER A 77 76.648 3.894 1.183 1.00 0.00 H new ATOM 0 HA SER A 77 76.728 6.726 0.100 1.00 0.00 H new ATOM 0 HB2 SER A 77 74.750 4.960 -0.279 1.00 0.00 H new ATOM 0 HB3 SER A 77 74.418 5.222 1.422 1.00 0.00 H new ATOM 0 HG SER A 77 73.235 6.698 0.060 1.00 0.00 H new ATOM 1061 N ALA A 78 77.374 7.500 2.354 1.00 0.00 N ATOM 1062 CA ALA A 78 77.624 8.062 3.712 1.00 0.00 C ATOM 1063 C ALA A 78 76.312 8.577 4.315 1.00 0.00 C ATOM 1064 O ALA A 78 76.219 8.839 5.498 1.00 0.00 O ATOM 1065 CB ALA A 78 78.607 9.211 3.485 1.00 0.00 C ATOM 0 H ALA A 78 77.880 7.958 1.596 1.00 0.00 H new ATOM 0 HA ALA A 78 78.021 7.321 4.406 1.00 0.00 H new ATOM 0 HB1 ALA A 78 78.844 9.681 4.440 1.00 0.00 H new ATOM 0 HB2 ALA A 78 79.521 8.824 3.034 1.00 0.00 H new ATOM 0 HB3 ALA A 78 78.158 9.948 2.820 1.00 0.00 H new ATOM 1071 N ALA A 79 75.296 8.714 3.506 1.00 0.00 N ATOM 1072 CA ALA A 79 73.985 9.203 4.020 1.00 0.00 C ATOM 1073 C ALA A 79 73.070 8.018 4.340 1.00 0.00 C ATOM 1074 O ALA A 79 72.065 8.159 5.005 1.00 0.00 O ATOM 1075 CB ALA A 79 73.398 10.032 2.877 1.00 0.00 C ATOM 0 H ALA A 79 75.318 8.507 2.507 1.00 0.00 H new ATOM 0 HA ALA A 79 74.091 9.784 4.936 1.00 0.00 H new ATOM 0 HB1 ALA A 79 72.428 10.429 3.177 1.00 0.00 H new ATOM 0 HB2 ALA A 79 74.071 10.856 2.642 1.00 0.00 H new ATOM 0 HB3 ALA A 79 73.275 9.402 1.996 1.00 0.00 H new ATOM 1081 N CYS A 80 73.415 6.853 3.869 1.00 0.00 N ATOM 1082 CA CYS A 80 72.569 5.657 4.145 1.00 0.00 C ATOM 1083 C CYS A 80 72.710 5.231 5.603 1.00 0.00 C ATOM 1084 O CYS A 80 73.651 5.595 6.279 1.00 0.00 O ATOM 1085 CB CYS A 80 73.104 4.573 3.212 1.00 0.00 C ATOM 1086 SG CYS A 80 72.456 2.960 3.713 1.00 0.00 S ATOM 0 H CYS A 80 74.246 6.676 3.305 1.00 0.00 H new ATOM 0 HA CYS A 80 71.510 5.853 3.978 1.00 0.00 H new ATOM 0 HB2 CYS A 80 72.813 4.789 2.184 1.00 0.00 H new ATOM 0 HB3 CYS A 80 74.194 4.562 3.239 1.00 0.00 H new ATOM 1091 N LYS A 81 71.779 4.459 6.093 1.00 0.00 N ATOM 1092 CA LYS A 81 71.864 4.013 7.507 1.00 0.00 C ATOM 1093 C LYS A 81 71.813 2.487 7.592 1.00 0.00 C ATOM 1094 O LYS A 81 71.267 1.815 6.738 1.00 0.00 O ATOM 1095 CB LYS A 81 70.651 4.639 8.206 1.00 0.00 C ATOM 1096 CG LYS A 81 69.409 3.768 7.987 1.00 0.00 C ATOM 1097 CD LYS A 81 69.399 2.620 9.000 1.00 0.00 C ATOM 1098 CE LYS A 81 68.993 1.309 8.301 1.00 0.00 C ATOM 1099 NZ LYS A 81 68.103 0.603 9.269 1.00 0.00 N ATOM 0 H LYS A 81 70.968 4.120 5.576 1.00 0.00 H new ATOM 0 HA LYS A 81 72.799 4.320 7.975 1.00 0.00 H new ATOM 0 HB2 LYS A 81 70.849 4.741 9.273 1.00 0.00 H new ATOM 0 HB3 LYS A 81 70.475 5.642 7.817 1.00 0.00 H new ATOM 0 HG2 LYS A 81 68.507 4.370 8.096 1.00 0.00 H new ATOM 0 HG3 LYS A 81 69.406 3.370 6.972 1.00 0.00 H new ATOM 0 HD2 LYS A 81 70.386 2.512 9.450 1.00 0.00 H new ATOM 0 HD3 LYS A 81 68.702 2.842 9.808 1.00 0.00 H new ATOM 0 HE2 LYS A 81 68.474 1.508 7.363 1.00 0.00 H new ATOM 0 HE3 LYS A 81 69.868 0.705 8.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 68.649 -0.120 9.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 67.716 1.289 9.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 67.322 0.148 8.754 1.00 0.00 H new ATOM 1113 N ILE A 82 72.362 1.951 8.633 1.00 0.00 N ATOM 1114 CA ILE A 82 72.348 0.477 8.825 1.00 0.00 C ATOM 1115 C ILE A 82 72.110 0.185 10.307 1.00 0.00 C ATOM 1116 O ILE A 82 73.000 -0.235 11.020 1.00 0.00 O ATOM 1117 CB ILE A 82 73.735 0.009 8.382 1.00 0.00 C ATOM 1118 CG1 ILE A 82 74.101 0.683 7.052 1.00 0.00 C ATOM 1119 CG2 ILE A 82 73.729 -1.509 8.198 1.00 0.00 C ATOM 1120 CD1 ILE A 82 73.133 0.224 5.956 1.00 0.00 C ATOM 0 H ILE A 82 72.828 2.475 9.373 1.00 0.00 H new ATOM 0 HA ILE A 82 71.567 -0.031 8.260 1.00 0.00 H new ATOM 0 HB ILE A 82 74.468 0.279 9.142 1.00 0.00 H new ATOM 0 HG12 ILE A 82 74.057 1.767 7.159 1.00 0.00 H new ATOM 0 HG13 ILE A 82 75.125 0.431 6.775 1.00 0.00 H new ATOM 0 HG21 ILE A 82 74.718 -1.841 7.882 1.00 0.00 H new ATOM 0 HG22 ILE A 82 73.469 -1.989 9.142 1.00 0.00 H new ATOM 0 HG23 ILE A 82 72.996 -1.781 7.439 1.00 0.00 H new ATOM 0 HD11 ILE A 82 73.396 0.705 5.014 1.00 0.00 H new ATOM 0 HD12 ILE A 82 73.199 -0.858 5.842 1.00 0.00 H new ATOM 0 HD13 ILE A 82 72.115 0.499 6.231 1.00 0.00 H new ATOM 1132 N SER A 83 70.917 0.440 10.784 1.00 0.00 N ATOM 1133 CA SER A 83 70.625 0.215 12.228 1.00 0.00 C ATOM 1134 C SER A 83 69.257 -0.445 12.433 1.00 0.00 C ATOM 1135 O SER A 83 68.228 0.188 12.311 1.00 0.00 O ATOM 1136 CB SER A 83 70.606 1.615 12.835 1.00 0.00 C ATOM 1137 OG SER A 83 71.935 2.117 12.905 1.00 0.00 O ATOM 0 H SER A 83 70.135 0.794 10.234 1.00 0.00 H new ATOM 0 HA SER A 83 71.362 -0.448 12.682 1.00 0.00 H new ATOM 0 HB2 SER A 83 69.987 2.277 12.230 1.00 0.00 H new ATOM 0 HB3 SER A 83 70.163 1.586 13.831 1.00 0.00 H new ATOM 0 HG SER A 83 71.925 3.017 13.293 1.00 0.00 H new ATOM 1143 N GLY A 84 69.240 -1.701 12.779 1.00 0.00 N ATOM 1144 CA GLY A 84 67.940 -2.387 13.030 1.00 0.00 C ATOM 1145 C GLY A 84 67.255 -2.742 11.712 1.00 0.00 C ATOM 1146 O GLY A 84 66.044 -2.798 11.633 1.00 0.00 O ATOM 0 H GLY A 84 70.069 -2.283 12.899 1.00 0.00 H new ATOM 0 HA2 GLY A 84 68.107 -3.292 13.614 1.00 0.00 H new ATOM 0 HA3 GLY A 84 67.290 -1.741 13.621 1.00 0.00 H new ATOM 1150 N CYS A 85 68.006 -2.995 10.680 1.00 0.00 N ATOM 1151 CA CYS A 85 67.369 -3.358 9.385 1.00 0.00 C ATOM 1152 C CYS A 85 68.288 -4.280 8.584 1.00 0.00 C ATOM 1153 O CYS A 85 69.373 -4.622 9.010 1.00 0.00 O ATOM 1154 CB CYS A 85 67.151 -2.029 8.654 1.00 0.00 C ATOM 1155 SG CYS A 85 65.858 -2.207 7.392 1.00 0.00 S ATOM 0 H CYS A 85 69.026 -2.967 10.675 1.00 0.00 H new ATOM 0 HA CYS A 85 66.431 -3.895 9.523 1.00 0.00 H new ATOM 0 HB2 CYS A 85 66.867 -1.256 9.368 1.00 0.00 H new ATOM 0 HB3 CYS A 85 68.082 -1.706 8.187 1.00 0.00 H new ATOM 1160 N THR A 86 67.853 -4.692 7.429 1.00 0.00 N ATOM 1161 CA THR A 86 68.686 -5.600 6.598 1.00 0.00 C ATOM 1162 C THR A 86 67.982 -5.877 5.275 1.00 0.00 C ATOM 1163 O THR A 86 66.789 -5.688 5.144 1.00 0.00 O ATOM 1164 CB THR A 86 68.804 -6.887 7.416 1.00 0.00 C ATOM 1165 OG1 THR A 86 69.434 -7.888 6.629 1.00 0.00 O ATOM 1166 CG2 THR A 86 67.410 -7.365 7.831 1.00 0.00 C ATOM 0 H THR A 86 66.952 -4.438 7.023 1.00 0.00 H new ATOM 0 HA THR A 86 69.662 -5.174 6.365 1.00 0.00 H new ATOM 0 HB THR A 86 69.399 -6.695 8.309 1.00 0.00 H new ATOM 0 HG1 THR A 86 69.513 -8.713 7.151 1.00 0.00 H new ATOM 0 HG21 THR A 86 67.498 -8.282 8.414 1.00 0.00 H new ATOM 0 HG22 THR A 86 66.927 -6.597 8.435 1.00 0.00 H new ATOM 0 HG23 THR A 86 66.811 -7.557 6.941 1.00 0.00 H new ATOM 1174 N PHE A 87 68.703 -6.330 4.294 1.00 0.00 N ATOM 1175 CA PHE A 87 68.055 -6.626 2.986 1.00 0.00 C ATOM 1176 C PHE A 87 68.281 -8.097 2.624 1.00 0.00 C ATOM 1177 O PHE A 87 69.059 -8.788 3.252 1.00 0.00 O ATOM 1178 CB PHE A 87 68.732 -5.722 1.943 1.00 0.00 C ATOM 1179 CG PHE A 87 69.307 -4.474 2.580 1.00 0.00 C ATOM 1180 CD1 PHE A 87 68.575 -3.753 3.538 1.00 0.00 C ATOM 1181 CD2 PHE A 87 70.582 -4.040 2.204 1.00 0.00 C ATOM 1182 CE1 PHE A 87 69.126 -2.595 4.115 1.00 0.00 C ATOM 1183 CE2 PHE A 87 71.128 -2.891 2.778 1.00 0.00 C ATOM 1184 CZ PHE A 87 70.402 -2.167 3.732 1.00 0.00 C ATOM 0 H PHE A 87 69.706 -6.508 4.337 1.00 0.00 H new ATOM 0 HA PHE A 87 66.981 -6.444 3.024 1.00 0.00 H new ATOM 0 HB2 PHE A 87 69.526 -6.275 1.442 1.00 0.00 H new ATOM 0 HB3 PHE A 87 68.008 -5.441 1.179 1.00 0.00 H new ATOM 0 HD1 PHE A 87 67.591 -4.087 3.831 1.00 0.00 H new ATOM 0 HD2 PHE A 87 71.145 -4.595 1.468 1.00 0.00 H new ATOM 0 HE1 PHE A 87 68.566 -2.038 4.851 1.00 0.00 H new ATOM 0 HE2 PHE A 87 72.113 -2.559 2.486 1.00 0.00 H new ATOM 0 HZ PHE A 87 70.827 -1.277 4.173 1.00 0.00 H new ATOM 1194 N SER A 88 67.615 -8.578 1.614 1.00 0.00 N ATOM 1195 CA SER A 88 67.798 -10.000 1.208 1.00 0.00 C ATOM 1196 C SER A 88 67.412 -10.173 -0.263 1.00 0.00 C ATOM 1197 O SER A 88 67.047 -11.247 -0.699 1.00 0.00 O ATOM 1198 CB SER A 88 66.860 -10.800 2.110 1.00 0.00 C ATOM 1199 OG SER A 88 67.529 -11.974 2.552 1.00 0.00 O ATOM 0 H SER A 88 66.950 -8.048 1.050 1.00 0.00 H new ATOM 0 HA SER A 88 68.831 -10.332 1.310 1.00 0.00 H new ATOM 0 HB2 SER A 88 66.555 -10.197 2.965 1.00 0.00 H new ATOM 0 HB3 SER A 88 65.953 -11.066 1.568 1.00 0.00 H new ATOM 0 HG SER A 88 66.933 -12.491 3.133 1.00 0.00 H new ATOM 1205 N ALA A 89 67.487 -9.119 -1.026 1.00 0.00 N ATOM 1206 CA ALA A 89 67.123 -9.213 -2.468 1.00 0.00 C ATOM 1207 C ALA A 89 65.799 -9.966 -2.625 1.00 0.00 C ATOM 1208 O ALA A 89 65.774 -11.136 -2.956 1.00 0.00 O ATOM 1209 CB ALA A 89 68.268 -9.992 -3.119 1.00 0.00 C ATOM 0 H ALA A 89 67.785 -8.195 -0.713 1.00 0.00 H new ATOM 0 HA ALA A 89 66.989 -8.234 -2.927 1.00 0.00 H new ATOM 0 HB1 ALA A 89 68.072 -10.103 -4.186 1.00 0.00 H new ATOM 0 HB2 ALA A 89 69.204 -9.451 -2.976 1.00 0.00 H new ATOM 0 HB3 ALA A 89 68.345 -10.978 -2.660 1.00 0.00 H new ATOM 1215 N ASN A 90 64.695 -9.307 -2.384 1.00 0.00 N ATOM 1216 CA ASN A 90 63.375 -9.990 -2.514 1.00 0.00 C ATOM 1217 C ASN A 90 62.997 -10.146 -3.993 1.00 0.00 C ATOM 1218 O ASN A 90 61.820 -10.311 -4.268 1.00 0.00 O ATOM 1219 CB ASN A 90 62.382 -9.083 -1.761 1.00 0.00 C ATOM 1220 CG ASN A 90 61.610 -8.187 -2.737 1.00 0.00 C ATOM 1221 OD1 ASN A 90 62.191 -7.568 -3.605 1.00 0.00 O ATOM 1222 ND2 ASN A 90 60.313 -8.097 -2.625 1.00 0.00 N ATOM 1223 OXT ASN A 90 63.891 -10.099 -4.821 1.00 0.00 O ATOM 0 H ASN A 90 64.651 -8.327 -2.103 1.00 0.00 H new ATOM 0 HA ASN A 90 63.381 -10.998 -2.100 1.00 0.00 H new ATOM 0 HB2 ASN A 90 61.682 -9.696 -1.193 1.00 0.00 H new ATOM 0 HB3 ASN A 90 62.921 -8.465 -1.042 1.00 0.00 H new ATOM 0 HD21 ASN A 90 59.785 -7.506 -3.267 1.00 0.00 H new ATOM 0 HD22 ASN A 90 59.827 -8.618 -1.895 1.00 0.00 H new