USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=33 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 65 SER OG : rot 180:sc= -0.12 USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc= -0.26 USER MOD Set 2.1: A 53 THR OG1 : rot 133:sc= 0.0974 USER MOD Set 2.2: A 70 THR OG1 : rot 21:sc= 1.19 USER MOD Set 3.1: A 17 CYS SG : rot 180:sc= 0.00808 USER MOD Set 3.2: A 20 SER OG : rot 120:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 45:sc= -3.53! USER MOD Single : A 14 ASN : amide:sc= -5.28! C(o=-5.3!,f=-8.8!) USER MOD Single : A 15 SER OG : rot 110:sc= -2.43! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.424 USER MOD Single : A 23 THR OG1 : rot -8:sc= 0.801 USER MOD Single : A 24 ASN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 26 TYR OH : rot -78:sc= -2.1! USER MOD Single : A 29 LYS NZ :NH3+ -129:sc= -0.108 (180deg=-0.711) USER MOD Single : A 30 SER OG : rot 70:sc= -2.44! USER MOD Single : A 33 TYR OH : rot 180:sc= -1.12 USER MOD Single : A 35 THR OG1 : rot 32:sc= -0.179 USER MOD Single : A 36 THR OG1 : rot -170:sc= 0 USER MOD Single : A 38 THR OG1 : rot 33:sc= 0.7 USER MOD Single : A 40 SER OG : rot -1:sc= 0.832 USER MOD Single : A 46 THR OG1 : rot -17:sc= 0.236 USER MOD Single : A 48 THR OG1 : rot -150:sc= -2.01! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 140:sc= -4.11! USER MOD Single : A 51 THR OG1 : rot -160:sc= -0.418 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 31:sc= 0.971 USER MOD Single : A 58 SER OG : rot 180:sc= -0.0971 USER MOD Single : A 63 LYS NZ :NH3+ -105:sc= -0.145 (180deg=-1.07) USER MOD Single : A 77 SER OG : rot -160:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -174:sc= -4.47! (180deg=-5.09!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc=-0.000858 USER MOD Single : A 88 SER OG : rot -46:sc= 0.0612 USER MOD Single : A 90 ASN : amide:sc= -4.27! C(o=-4.3!,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 110 N GLN A 10 50.368 -3.544 -4.653 1.00 0.00 N ATOM 111 CA GLN A 10 49.817 -3.167 -3.317 1.00 0.00 C ATOM 112 C GLN A 10 50.752 -2.196 -2.583 1.00 0.00 C ATOM 113 O GLN A 10 51.680 -1.657 -3.151 1.00 0.00 O ATOM 114 CB GLN A 10 49.709 -4.486 -2.550 1.00 0.00 C ATOM 115 CG GLN A 10 48.421 -5.207 -2.953 1.00 0.00 C ATOM 116 CD GLN A 10 48.728 -6.677 -3.247 1.00 0.00 C ATOM 117 OE1 GLN A 10 48.474 -7.538 -2.429 1.00 0.00 O ATOM 118 NE2 GLN A 10 49.269 -7.001 -4.389 1.00 0.00 N ATOM 0 HA GLN A 10 48.858 -2.657 -3.407 1.00 0.00 H new ATOM 0 HB2 GLN A 10 50.573 -5.115 -2.764 1.00 0.00 H new ATOM 0 HB3 GLN A 10 49.711 -4.296 -1.477 1.00 0.00 H new ATOM 0 HG2 GLN A 10 47.684 -5.131 -2.153 1.00 0.00 H new ATOM 0 HG3 GLN A 10 47.986 -4.732 -3.833 1.00 0.00 H new ATOM 0 HE21 GLN A 10 49.482 -6.278 -5.076 1.00 0.00 H new ATOM 0 HE22 GLN A 10 49.479 -7.978 -4.595 1.00 0.00 H new ATOM 127 N LEU A 11 50.501 -1.973 -1.318 1.00 0.00 N ATOM 128 CA LEU A 11 51.357 -1.039 -0.528 1.00 0.00 C ATOM 129 C LEU A 11 51.090 -1.235 0.968 1.00 0.00 C ATOM 130 O LEU A 11 50.528 -0.385 1.629 1.00 0.00 O ATOM 131 CB LEU A 11 50.922 0.365 -0.972 1.00 0.00 C ATOM 132 CG LEU A 11 52.104 1.364 -1.007 1.00 0.00 C ATOM 133 CD1 LEU A 11 53.392 0.763 -0.426 1.00 0.00 C ATOM 134 CD2 LEU A 11 52.354 1.782 -2.457 1.00 0.00 C ATOM 0 H LEU A 11 49.736 -2.400 -0.796 1.00 0.00 H new ATOM 0 HA LEU A 11 52.422 -1.205 -0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 11 50.470 0.306 -1.962 1.00 0.00 H new ATOM 0 HB3 LEU A 11 50.155 0.737 -0.293 1.00 0.00 H new ATOM 0 HG LEU A 11 51.835 2.223 -0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 11 54.192 1.502 -0.473 1.00 0.00 H new ATOM 0 HD12 LEU A 11 53.224 0.476 0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 11 53.676 -0.116 -1.004 1.00 0.00 H new ATOM 0 HD21 LEU A 11 53.185 2.486 -2.495 1.00 0.00 H new ATOM 0 HD22 LEU A 11 52.597 0.902 -3.053 1.00 0.00 H new ATOM 0 HD23 LEU A 11 51.458 2.256 -2.859 1.00 0.00 H new ATOM 146 N SER A 12 51.491 -2.356 1.501 1.00 0.00 N ATOM 147 CA SER A 12 51.269 -2.631 2.952 1.00 0.00 C ATOM 148 C SER A 12 49.864 -2.193 3.383 1.00 0.00 C ATOM 149 O SER A 12 49.624 -1.915 4.540 1.00 0.00 O ATOM 150 CB SER A 12 52.334 -1.804 3.670 1.00 0.00 C ATOM 151 OG SER A 12 52.452 -0.539 3.037 1.00 0.00 O ATOM 0 H SER A 12 51.967 -3.100 0.991 1.00 0.00 H new ATOM 0 HA SER A 12 51.343 -3.694 3.184 1.00 0.00 H new ATOM 0 HB2 SER A 12 52.065 -1.675 4.718 1.00 0.00 H new ATOM 0 HB3 SER A 12 53.291 -2.325 3.648 1.00 0.00 H new ATOM 0 HG SER A 12 51.559 -0.179 2.856 1.00 0.00 H new ATOM 157 N ALA A 13 48.934 -2.120 2.466 1.00 0.00 N ATOM 158 CA ALA A 13 47.549 -1.690 2.830 1.00 0.00 C ATOM 159 C ALA A 13 47.589 -0.515 3.816 1.00 0.00 C ATOM 160 O ALA A 13 46.645 -0.276 4.543 1.00 0.00 O ATOM 161 CB ALA A 13 46.910 -2.915 3.487 1.00 0.00 C ATOM 0 H ALA A 13 49.073 -2.340 1.480 1.00 0.00 H new ATOM 0 HA ALA A 13 46.987 -1.351 1.960 1.00 0.00 H new ATOM 0 HB1 ALA A 13 45.888 -2.678 3.783 1.00 0.00 H new ATOM 0 HB2 ALA A 13 46.899 -3.744 2.779 1.00 0.00 H new ATOM 0 HB3 ALA A 13 47.486 -3.198 4.368 1.00 0.00 H new ATOM 167 N ASN A 14 48.669 0.221 3.835 1.00 0.00 N ATOM 168 CA ASN A 14 48.788 1.387 4.763 1.00 0.00 C ATOM 169 C ASN A 14 50.199 1.977 4.672 1.00 0.00 C ATOM 170 O ASN A 14 50.721 2.512 5.630 1.00 0.00 O ATOM 171 CB ASN A 14 48.552 0.828 6.169 1.00 0.00 C ATOM 172 CG ASN A 14 49.605 -0.236 6.479 1.00 0.00 C ATOM 173 OD1 ASN A 14 50.768 -0.065 6.170 1.00 0.00 O ATOM 174 ND2 ASN A 14 49.246 -1.337 7.080 1.00 0.00 N ATOM 0 H ASN A 14 49.483 0.063 3.241 1.00 0.00 H new ATOM 0 HA ASN A 14 48.076 2.174 4.516 1.00 0.00 H new ATOM 0 HB2 ASN A 14 48.604 1.631 6.904 1.00 0.00 H new ATOM 0 HB3 ASN A 14 47.553 0.397 6.237 1.00 0.00 H new ATOM 0 HD21 ASN A 14 49.941 -2.053 7.290 1.00 0.00 H new ATOM 0 HD22 ASN A 14 48.270 -1.481 7.340 1.00 0.00 H new ATOM 181 N SER A 15 50.823 1.878 3.529 1.00 0.00 N ATOM 182 CA SER A 15 52.199 2.426 3.382 1.00 0.00 C ATOM 183 C SER A 15 52.156 3.957 3.421 1.00 0.00 C ATOM 184 O SER A 15 51.149 4.548 3.759 1.00 0.00 O ATOM 185 CB SER A 15 52.674 1.921 2.020 1.00 0.00 C ATOM 186 OG SER A 15 53.113 3.020 1.232 1.00 0.00 O ATOM 0 H SER A 15 50.438 1.441 2.692 1.00 0.00 H new ATOM 0 HA SER A 15 52.869 2.112 4.183 1.00 0.00 H new ATOM 0 HB2 SER A 15 53.486 1.205 2.149 1.00 0.00 H new ATOM 0 HB3 SER A 15 51.864 1.397 1.512 1.00 0.00 H new ATOM 0 HG SER A 15 54.087 2.982 1.131 1.00 0.00 H new ATOM 192 N LYS A 16 53.236 4.605 3.082 1.00 0.00 N ATOM 193 CA LYS A 16 53.242 6.096 3.105 1.00 0.00 C ATOM 194 C LYS A 16 53.529 6.642 1.705 1.00 0.00 C ATOM 195 O LYS A 16 54.638 6.566 1.214 1.00 0.00 O ATOM 196 CB LYS A 16 54.363 6.472 4.074 1.00 0.00 C ATOM 197 CG LYS A 16 53.758 7.034 5.361 1.00 0.00 C ATOM 198 CD LYS A 16 53.424 5.885 6.316 1.00 0.00 C ATOM 199 CE LYS A 16 53.733 6.309 7.754 1.00 0.00 C ATOM 200 NZ LYS A 16 52.517 7.040 8.210 1.00 0.00 N ATOM 0 H LYS A 16 54.111 4.170 2.791 1.00 0.00 H new ATOM 0 HA LYS A 16 52.283 6.511 3.415 1.00 0.00 H new ATOM 0 HB2 LYS A 16 54.973 5.597 4.298 1.00 0.00 H new ATOM 0 HB3 LYS A 16 55.021 7.211 3.616 1.00 0.00 H new ATOM 0 HG2 LYS A 16 54.459 7.722 5.834 1.00 0.00 H new ATOM 0 HG3 LYS A 16 52.857 7.604 5.133 1.00 0.00 H new ATOM 0 HD2 LYS A 16 52.372 5.615 6.223 1.00 0.00 H new ATOM 0 HD3 LYS A 16 54.004 5.000 6.054 1.00 0.00 H new ATOM 0 HE2 LYS A 16 53.934 5.444 8.386 1.00 0.00 H new ATOM 0 HE3 LYS A 16 54.616 6.947 7.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 52.653 7.363 9.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 52.355 7.862 7.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 51.694 6.406 8.165 1.00 0.00 H new ATOM 214 N CYS A 17 52.538 7.187 1.057 1.00 0.00 N ATOM 215 CA CYS A 17 52.753 7.730 -0.315 1.00 0.00 C ATOM 216 C CYS A 17 53.142 9.210 -0.252 1.00 0.00 C ATOM 217 O CYS A 17 53.903 9.626 0.600 1.00 0.00 O ATOM 218 CB CYS A 17 51.409 7.556 -1.023 1.00 0.00 C ATOM 219 SG CYS A 17 51.700 7.125 -2.757 1.00 0.00 S ATOM 0 H CYS A 17 51.588 7.280 1.417 1.00 0.00 H new ATOM 0 HA CYS A 17 53.560 7.217 -0.838 1.00 0.00 H new ATOM 0 HB2 CYS A 17 50.826 6.775 -0.535 1.00 0.00 H new ATOM 0 HB3 CYS A 17 50.828 8.476 -0.957 1.00 0.00 H new ATOM 0 HG CYS A 17 50.560 6.973 -3.364 1.00 0.00 H new ATOM 224 N GLU A 18 52.632 10.006 -1.153 1.00 0.00 N ATOM 225 CA GLU A 18 52.981 11.457 -1.152 1.00 0.00 C ATOM 226 C GLU A 18 54.458 11.637 -1.511 1.00 0.00 C ATOM 227 O GLU A 18 55.336 11.338 -0.728 1.00 0.00 O ATOM 228 CB GLU A 18 52.711 11.935 0.275 1.00 0.00 C ATOM 229 CG GLU A 18 51.631 13.019 0.253 1.00 0.00 C ATOM 230 CD GLU A 18 50.256 12.364 0.121 1.00 0.00 C ATOM 231 OE1 GLU A 18 50.213 11.167 -0.110 1.00 0.00 O ATOM 232 OE2 GLU A 18 49.269 13.070 0.253 1.00 0.00 O ATOM 0 H GLU A 18 51.989 9.715 -1.889 1.00 0.00 H new ATOM 0 HA GLU A 18 52.402 12.023 -1.881 1.00 0.00 H new ATOM 0 HB2 GLU A 18 52.389 11.099 0.896 1.00 0.00 H new ATOM 0 HB3 GLU A 18 53.626 12.327 0.718 1.00 0.00 H new ATOM 0 HG2 GLU A 18 51.677 13.612 1.166 1.00 0.00 H new ATOM 0 HG3 GLU A 18 51.802 13.701 -0.579 1.00 0.00 H new ATOM 239 N LYS A 19 54.739 12.118 -2.691 1.00 0.00 N ATOM 240 CA LYS A 19 56.161 12.308 -3.098 1.00 0.00 C ATOM 241 C LYS A 19 56.851 10.946 -3.217 1.00 0.00 C ATOM 242 O LYS A 19 57.866 10.699 -2.597 1.00 0.00 O ATOM 243 CB LYS A 19 56.790 13.134 -1.974 1.00 0.00 C ATOM 244 CG LYS A 19 57.797 14.124 -2.565 1.00 0.00 C ATOM 245 CD LYS A 19 57.506 15.528 -2.028 1.00 0.00 C ATOM 246 CE LYS A 19 58.593 16.497 -2.503 1.00 0.00 C ATOM 247 NZ LYS A 19 58.162 17.834 -2.005 1.00 0.00 N ATOM 0 H LYS A 19 54.047 12.387 -3.390 1.00 0.00 H new ATOM 0 HA LYS A 19 56.257 12.804 -4.064 1.00 0.00 H new ATOM 0 HB2 LYS A 19 56.015 13.671 -1.427 1.00 0.00 H new ATOM 0 HB3 LYS A 19 57.287 12.477 -1.261 1.00 0.00 H new ATOM 0 HG2 LYS A 19 58.812 13.826 -2.304 1.00 0.00 H new ATOM 0 HG3 LYS A 19 57.733 14.119 -3.653 1.00 0.00 H new ATOM 0 HD2 LYS A 19 56.529 15.865 -2.374 1.00 0.00 H new ATOM 0 HD3 LYS A 19 57.471 15.511 -0.939 1.00 0.00 H new ATOM 0 HE2 LYS A 19 59.569 16.222 -2.103 1.00 0.00 H new ATOM 0 HE3 LYS A 19 58.681 16.490 -3.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 58.858 18.552 -2.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 57.233 18.072 -2.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 58.094 17.813 -0.967 1.00 0.00 H new ATOM 261 N SER A 20 56.300 10.059 -4.000 1.00 0.00 N ATOM 262 CA SER A 20 56.920 8.710 -4.147 1.00 0.00 C ATOM 263 C SER A 20 57.316 8.445 -5.601 1.00 0.00 C ATOM 264 O SER A 20 56.766 9.013 -6.523 1.00 0.00 O ATOM 265 CB SER A 20 55.835 7.730 -3.705 1.00 0.00 C ATOM 266 OG SER A 20 55.305 8.150 -2.455 1.00 0.00 O ATOM 0 H SER A 20 55.450 10.209 -4.543 1.00 0.00 H new ATOM 0 HA SER A 20 57.831 8.616 -3.556 1.00 0.00 H new ATOM 0 HB2 SER A 20 55.043 7.685 -4.452 1.00 0.00 H new ATOM 0 HB3 SER A 20 56.249 6.725 -3.619 1.00 0.00 H new ATOM 0 HG SER A 20 54.345 8.325 -2.549 1.00 0.00 H new ATOM 272 N THR A 21 58.266 7.575 -5.806 1.00 0.00 N ATOM 273 CA THR A 21 58.709 7.251 -7.191 1.00 0.00 C ATOM 274 C THR A 21 59.222 5.811 -7.241 1.00 0.00 C ATOM 275 O THR A 21 60.408 5.560 -7.157 1.00 0.00 O ATOM 276 CB THR A 21 59.839 8.238 -7.488 1.00 0.00 C ATOM 277 OG1 THR A 21 59.420 9.551 -7.145 1.00 0.00 O ATOM 278 CG2 THR A 21 60.188 8.182 -8.977 1.00 0.00 C ATOM 0 H THR A 21 58.758 7.071 -5.068 1.00 0.00 H new ATOM 0 HA THR A 21 57.903 7.333 -7.920 1.00 0.00 H new ATOM 0 HB THR A 21 60.719 7.973 -6.901 1.00 0.00 H new ATOM 0 HG1 THR A 21 60.143 10.185 -7.333 1.00 0.00 H new ATOM 0 HG21 THR A 21 60.993 8.885 -9.189 1.00 0.00 H new ATOM 0 HG22 THR A 21 60.509 7.174 -9.238 1.00 0.00 H new ATOM 0 HG23 THR A 21 59.310 8.447 -9.567 1.00 0.00 H new ATOM 286 N LEU A 22 58.335 4.862 -7.359 1.00 0.00 N ATOM 287 CA LEU A 22 58.768 3.433 -7.394 1.00 0.00 C ATOM 288 C LEU A 22 58.241 2.736 -8.653 1.00 0.00 C ATOM 289 O LEU A 22 57.830 3.373 -9.603 1.00 0.00 O ATOM 290 CB LEU A 22 58.160 2.798 -6.139 1.00 0.00 C ATOM 291 CG LEU A 22 56.780 3.400 -5.856 1.00 0.00 C ATOM 292 CD1 LEU A 22 55.911 2.369 -5.137 1.00 0.00 C ATOM 293 CD2 LEU A 22 56.936 4.640 -4.973 1.00 0.00 C ATOM 0 H LEU A 22 57.329 5.012 -7.433 1.00 0.00 H new ATOM 0 HA LEU A 22 59.854 3.341 -7.416 1.00 0.00 H new ATOM 0 HB2 LEU A 22 58.074 1.720 -6.274 1.00 0.00 H new ATOM 0 HB3 LEU A 22 58.818 2.961 -5.285 1.00 0.00 H new ATOM 0 HG LEU A 22 56.307 3.681 -6.797 1.00 0.00 H new ATOM 0 HD11 LEU A 22 54.929 2.798 -4.936 1.00 0.00 H new ATOM 0 HD12 LEU A 22 55.799 1.486 -5.766 1.00 0.00 H new ATOM 0 HD13 LEU A 22 56.384 2.087 -4.196 1.00 0.00 H new ATOM 0 HD21 LEU A 22 55.954 5.069 -4.771 1.00 0.00 H new ATOM 0 HD22 LEU A 22 57.410 4.360 -4.032 1.00 0.00 H new ATOM 0 HD23 LEU A 22 57.555 5.376 -5.486 1.00 0.00 H new ATOM 305 N THR A 23 58.253 1.429 -8.663 1.00 0.00 N ATOM 306 CA THR A 23 57.756 0.684 -9.854 1.00 0.00 C ATOM 307 C THR A 23 57.545 -0.788 -9.494 1.00 0.00 C ATOM 308 O THR A 23 58.483 -1.505 -9.209 1.00 0.00 O ATOM 309 CB THR A 23 58.862 0.827 -10.901 1.00 0.00 C ATOM 310 OG1 THR A 23 58.856 2.151 -11.415 1.00 0.00 O ATOM 311 CG2 THR A 23 58.620 -0.168 -12.038 1.00 0.00 C ATOM 0 H THR A 23 58.586 0.845 -7.896 1.00 0.00 H new ATOM 0 HA THR A 23 56.802 1.067 -10.217 1.00 0.00 H new ATOM 0 HB THR A 23 59.829 0.621 -10.442 1.00 0.00 H new ATOM 0 HG1 THR A 23 58.065 2.626 -11.085 1.00 0.00 H new ATOM 0 HG21 THR A 23 59.408 -0.066 -12.784 1.00 0.00 H new ATOM 0 HG22 THR A 23 58.625 -1.183 -11.641 1.00 0.00 H new ATOM 0 HG23 THR A 23 57.654 0.036 -12.500 1.00 0.00 H new ATOM 319 N ASN A 24 56.319 -1.240 -9.500 1.00 0.00 N ATOM 320 CA ASN A 24 56.042 -2.665 -9.152 1.00 0.00 C ATOM 321 C ASN A 24 56.547 -2.968 -7.737 1.00 0.00 C ATOM 322 O ASN A 24 57.685 -2.711 -7.403 1.00 0.00 O ATOM 323 CB ASN A 24 56.808 -3.489 -10.189 1.00 0.00 C ATOM 324 CG ASN A 24 55.928 -3.705 -11.421 1.00 0.00 C ATOM 325 OD1 ASN A 24 55.116 -2.757 -11.805 1.00 0.00 O flip ATOM 326 ND2 ASN A 24 55.980 -4.747 -12.044 1.00 0.00 N flip ATOM 0 H ASN A 24 55.496 -0.683 -9.731 1.00 0.00 H new ATOM 0 HA ASN A 24 54.976 -2.894 -9.165 1.00 0.00 H new ATOM 0 HB2 ASN A 24 57.727 -2.975 -10.471 1.00 0.00 H new ATOM 0 HB3 ASN A 24 57.098 -4.450 -9.763 1.00 0.00 H new ATOM 0 HD21 ASN A 24 56.614 -5.489 -11.746 1.00 0.00 H new ATOM 0 HD22 ASN A 24 55.390 -4.880 -12.865 1.00 0.00 H new ATOM 333 N CYS A 25 55.705 -3.513 -6.902 1.00 0.00 N ATOM 334 CA CYS A 25 56.133 -3.834 -5.509 1.00 0.00 C ATOM 335 C CYS A 25 54.932 -4.296 -4.683 1.00 0.00 C ATOM 336 O CYS A 25 53.864 -4.548 -5.203 1.00 0.00 O ATOM 337 CB CYS A 25 56.696 -2.524 -4.944 1.00 0.00 C ATOM 338 SG CYS A 25 58.497 -2.668 -4.791 1.00 0.00 S ATOM 0 H CYS A 25 54.738 -3.750 -7.124 1.00 0.00 H new ATOM 0 HA CYS A 25 56.870 -4.636 -5.483 1.00 0.00 H new ATOM 0 HB2 CYS A 25 56.440 -1.691 -5.599 1.00 0.00 H new ATOM 0 HB3 CYS A 25 56.252 -2.313 -3.971 1.00 0.00 H new ATOM 343 N TYR A 26 55.101 -4.406 -3.397 1.00 0.00 N ATOM 344 CA TYR A 26 53.978 -4.845 -2.524 1.00 0.00 C ATOM 345 C TYR A 26 54.041 -4.062 -1.216 1.00 0.00 C ATOM 346 O TYR A 26 53.056 -3.532 -0.742 1.00 0.00 O ATOM 347 CB TYR A 26 54.223 -6.341 -2.298 1.00 0.00 C ATOM 348 CG TYR A 26 53.534 -6.797 -1.033 1.00 0.00 C ATOM 349 CD1 TYR A 26 52.136 -6.842 -0.970 1.00 0.00 C ATOM 350 CD2 TYR A 26 54.298 -7.179 0.077 1.00 0.00 C ATOM 351 CE1 TYR A 26 51.501 -7.269 0.204 1.00 0.00 C ATOM 352 CE2 TYR A 26 53.664 -7.607 1.249 1.00 0.00 C ATOM 353 CZ TYR A 26 52.266 -7.651 1.313 1.00 0.00 C ATOM 354 OH TYR A 26 51.642 -8.073 2.470 1.00 0.00 O ATOM 0 H TYR A 26 55.975 -4.209 -2.909 1.00 0.00 H new ATOM 0 HA TYR A 26 52.992 -4.672 -2.956 1.00 0.00 H new ATOM 0 HB2 TYR A 26 53.850 -6.911 -3.149 1.00 0.00 H new ATOM 0 HB3 TYR A 26 55.293 -6.535 -2.228 1.00 0.00 H new ATOM 0 HD1 TYR A 26 51.547 -6.548 -1.826 1.00 0.00 H new ATOM 0 HD2 TYR A 26 55.376 -7.143 0.029 1.00 0.00 H new ATOM 0 HE1 TYR A 26 50.423 -7.303 0.253 1.00 0.00 H new ATOM 0 HE2 TYR A 26 54.253 -7.903 2.104 1.00 0.00 H new ATOM 0 HH TYR A 26 51.309 -7.295 2.964 1.00 0.00 H new ATOM 364 N VAL A 27 55.208 -3.977 -0.648 1.00 0.00 N ATOM 365 CA VAL A 27 55.384 -3.218 0.622 1.00 0.00 C ATOM 366 C VAL A 27 54.462 -3.756 1.720 1.00 0.00 C ATOM 367 O VAL A 27 53.287 -3.982 1.512 1.00 0.00 O ATOM 368 CB VAL A 27 55.023 -1.771 0.281 1.00 0.00 C ATOM 369 CG1 VAL A 27 55.560 -0.851 1.378 1.00 0.00 C ATOM 370 CG2 VAL A 27 55.652 -1.385 -1.064 1.00 0.00 C ATOM 0 H VAL A 27 56.059 -4.406 -1.012 1.00 0.00 H new ATOM 0 HA VAL A 27 56.401 -3.309 1.003 1.00 0.00 H new ATOM 0 HB VAL A 27 53.940 -1.670 0.212 1.00 0.00 H new ATOM 0 HG11 VAL A 27 55.307 0.183 1.142 1.00 0.00 H new ATOM 0 HG12 VAL A 27 55.113 -1.125 2.334 1.00 0.00 H new ATOM 0 HG13 VAL A 27 56.643 -0.954 1.441 1.00 0.00 H new ATOM 0 HG21 VAL A 27 55.393 -0.354 -1.304 1.00 0.00 H new ATOM 0 HG22 VAL A 27 56.736 -1.481 -1.000 1.00 0.00 H new ATOM 0 HG23 VAL A 27 55.275 -2.045 -1.845 1.00 0.00 H new ATOM 380 N ASP A 28 54.991 -3.949 2.894 1.00 0.00 N ATOM 381 CA ASP A 28 54.159 -4.457 4.023 1.00 0.00 C ATOM 382 C ASP A 28 54.511 -3.684 5.296 1.00 0.00 C ATOM 383 O ASP A 28 55.656 -3.626 5.698 1.00 0.00 O ATOM 384 CB ASP A 28 54.531 -5.932 4.164 1.00 0.00 C ATOM 385 CG ASP A 28 53.283 -6.801 3.982 1.00 0.00 C ATOM 386 OD1 ASP A 28 52.215 -6.241 3.795 1.00 0.00 O ATOM 387 OD2 ASP A 28 53.417 -8.013 4.033 1.00 0.00 O ATOM 0 H ASP A 28 55.970 -3.776 3.124 1.00 0.00 H new ATOM 0 HA ASP A 28 53.090 -4.333 3.850 1.00 0.00 H new ATOM 0 HB2 ASP A 28 55.283 -6.199 3.422 1.00 0.00 H new ATOM 0 HB3 ASP A 28 54.972 -6.113 5.144 1.00 0.00 H new ATOM 392 N LYS A 29 53.541 -3.083 5.928 1.00 0.00 N ATOM 393 CA LYS A 29 53.829 -2.302 7.166 1.00 0.00 C ATOM 394 C LYS A 29 55.107 -1.480 6.981 1.00 0.00 C ATOM 395 O LYS A 29 56.039 -1.591 7.750 1.00 0.00 O ATOM 396 CB LYS A 29 54.026 -3.351 8.262 1.00 0.00 C ATOM 397 CG LYS A 29 52.688 -3.630 8.949 1.00 0.00 C ATOM 398 CD LYS A 29 52.930 -4.430 10.231 1.00 0.00 C ATOM 399 CE LYS A 29 52.850 -5.925 9.921 1.00 0.00 C ATOM 400 NZ LYS A 29 54.258 -6.344 9.673 1.00 0.00 N ATOM 0 H LYS A 29 52.562 -3.098 5.642 1.00 0.00 H new ATOM 0 HA LYS A 29 53.028 -1.604 7.409 1.00 0.00 H new ATOM 0 HB2 LYS A 29 54.425 -4.270 7.833 1.00 0.00 H new ATOM 0 HB3 LYS A 29 54.755 -2.997 8.992 1.00 0.00 H new ATOM 0 HG2 LYS A 29 52.184 -2.692 9.183 1.00 0.00 H new ATOM 0 HG3 LYS A 29 52.032 -4.186 8.279 1.00 0.00 H new ATOM 0 HD2 LYS A 29 53.908 -4.185 10.646 1.00 0.00 H new ATOM 0 HD3 LYS A 29 52.188 -4.164 10.984 1.00 0.00 H new ATOM 0 HE2 LYS A 29 52.415 -6.478 10.753 1.00 0.00 H new ATOM 0 HE3 LYS A 29 52.223 -6.114 9.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 54.313 -6.862 8.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 54.867 -5.503 9.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 54.578 -6.961 10.447 1.00 0.00 H new ATOM 414 N SER A 30 55.169 -0.665 5.963 1.00 0.00 N ATOM 415 CA SER A 30 56.405 0.140 5.745 1.00 0.00 C ATOM 416 C SER A 30 56.057 1.593 5.415 1.00 0.00 C ATOM 417 O SER A 30 54.939 1.912 5.060 1.00 0.00 O ATOM 418 CB SER A 30 57.097 -0.525 4.557 1.00 0.00 C ATOM 419 OG SER A 30 57.682 -1.751 4.980 1.00 0.00 O ATOM 0 H SER A 30 54.426 -0.522 5.279 1.00 0.00 H new ATOM 0 HA SER A 30 57.037 0.167 6.633 1.00 0.00 H new ATOM 0 HB2 SER A 30 56.378 -0.708 3.758 1.00 0.00 H new ATOM 0 HB3 SER A 30 57.863 0.136 4.151 1.00 0.00 H new ATOM 0 HG SER A 30 56.975 -2.399 5.179 1.00 0.00 H new ATOM 425 N GLU A 31 57.014 2.475 5.525 1.00 0.00 N ATOM 426 CA GLU A 31 56.749 3.910 5.212 1.00 0.00 C ATOM 427 C GLU A 31 57.185 4.218 3.778 1.00 0.00 C ATOM 428 O GLU A 31 56.371 4.422 2.900 1.00 0.00 O ATOM 429 CB GLU A 31 57.596 4.698 6.213 1.00 0.00 C ATOM 430 CG GLU A 31 56.739 5.783 6.868 1.00 0.00 C ATOM 431 CD GLU A 31 57.479 6.355 8.079 1.00 0.00 C ATOM 432 OE1 GLU A 31 58.465 7.043 7.875 1.00 0.00 O ATOM 433 OE2 GLU A 31 57.046 6.095 9.189 1.00 0.00 O ATOM 0 H GLU A 31 57.968 2.264 5.818 1.00 0.00 H new ATOM 0 HA GLU A 31 55.692 4.165 5.288 1.00 0.00 H new ATOM 0 HB2 GLU A 31 57.996 4.028 6.974 1.00 0.00 H new ATOM 0 HB3 GLU A 31 58.449 5.150 5.707 1.00 0.00 H new ATOM 0 HG2 GLU A 31 56.526 6.576 6.151 1.00 0.00 H new ATOM 0 HG3 GLU A 31 55.780 5.367 7.177 1.00 0.00 H new ATOM 440 N VAL A 32 58.467 4.244 3.535 1.00 0.00 N ATOM 441 CA VAL A 32 58.960 4.528 2.158 1.00 0.00 C ATOM 442 C VAL A 32 58.485 5.905 1.689 1.00 0.00 C ATOM 443 O VAL A 32 57.354 6.293 1.905 1.00 0.00 O ATOM 444 CB VAL A 32 58.352 3.428 1.288 1.00 0.00 C ATOM 445 CG1 VAL A 32 59.004 3.451 -0.096 1.00 0.00 C ATOM 446 CG2 VAL A 32 58.599 2.068 1.944 1.00 0.00 C ATOM 0 H VAL A 32 59.194 4.081 4.231 1.00 0.00 H new ATOM 0 HA VAL A 32 60.049 4.539 2.107 1.00 0.00 H new ATOM 0 HB VAL A 32 57.280 3.596 1.186 1.00 0.00 H new ATOM 0 HG11 VAL A 32 58.570 2.666 -0.716 1.00 0.00 H new ATOM 0 HG12 VAL A 32 58.831 4.420 -0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 32 60.076 3.283 0.004 1.00 0.00 H new ATOM 0 HG21 VAL A 32 58.166 1.282 1.325 1.00 0.00 H new ATOM 0 HG22 VAL A 32 59.672 1.902 2.044 1.00 0.00 H new ATOM 0 HG23 VAL A 32 58.135 2.050 2.930 1.00 0.00 H new ATOM 456 N TYR A 33 59.343 6.642 1.041 1.00 0.00 N ATOM 457 CA TYR A 33 58.950 7.990 0.545 1.00 0.00 C ATOM 458 C TYR A 33 59.553 8.221 -0.844 1.00 0.00 C ATOM 459 O TYR A 33 58.896 8.045 -1.850 1.00 0.00 O ATOM 460 CB TYR A 33 59.527 8.975 1.564 1.00 0.00 C ATOM 461 CG TYR A 33 58.668 8.972 2.806 1.00 0.00 C ATOM 462 CD1 TYR A 33 58.940 8.072 3.845 1.00 0.00 C ATOM 463 CD2 TYR A 33 57.599 9.869 2.920 1.00 0.00 C ATOM 464 CE1 TYR A 33 58.142 8.070 4.996 1.00 0.00 C ATOM 465 CE2 TYR A 33 56.801 9.865 4.071 1.00 0.00 C ATOM 466 CZ TYR A 33 57.072 8.966 5.109 1.00 0.00 C ATOM 467 OH TYR A 33 56.286 8.964 6.244 1.00 0.00 O ATOM 0 H TYR A 33 60.303 6.368 0.833 1.00 0.00 H new ATOM 0 HA TYR A 33 57.870 8.106 0.449 1.00 0.00 H new ATOM 0 HB2 TYR A 33 60.551 8.697 1.816 1.00 0.00 H new ATOM 0 HB3 TYR A 33 59.565 9.977 1.137 1.00 0.00 H new ATOM 0 HD1 TYR A 33 59.765 7.380 3.758 1.00 0.00 H new ATOM 0 HD2 TYR A 33 57.390 10.564 2.120 1.00 0.00 H new ATOM 0 HE1 TYR A 33 58.352 7.377 5.797 1.00 0.00 H new ATOM 0 HE2 TYR A 33 55.976 10.556 4.158 1.00 0.00 H new ATOM 0 HH TYR A 33 55.589 9.648 6.160 1.00 0.00 H new ATOM 477 N GLY A 34 60.799 8.601 -0.911 1.00 0.00 N ATOM 478 CA GLY A 34 61.438 8.826 -2.239 1.00 0.00 C ATOM 479 C GLY A 34 62.167 7.551 -2.668 1.00 0.00 C ATOM 480 O GLY A 34 63.157 7.593 -3.370 1.00 0.00 O ATOM 0 H GLY A 34 61.402 8.765 -0.105 1.00 0.00 H new ATOM 0 HA2 GLY A 34 60.683 9.094 -2.978 1.00 0.00 H new ATOM 0 HA3 GLY A 34 62.139 9.659 -2.182 1.00 0.00 H new ATOM 484 N THR A 35 61.682 6.417 -2.242 1.00 0.00 N ATOM 485 CA THR A 35 62.342 5.130 -2.612 1.00 0.00 C ATOM 486 C THR A 35 62.063 4.790 -4.081 1.00 0.00 C ATOM 487 O THR A 35 61.149 5.311 -4.690 1.00 0.00 O ATOM 488 CB THR A 35 61.715 4.091 -1.667 1.00 0.00 C ATOM 489 OG1 THR A 35 62.466 4.036 -0.460 1.00 0.00 O ATOM 490 CG2 THR A 35 61.710 2.702 -2.320 1.00 0.00 C ATOM 0 H THR A 35 60.855 6.325 -1.652 1.00 0.00 H new ATOM 0 HA THR A 35 63.427 5.167 -2.511 1.00 0.00 H new ATOM 0 HB THR A 35 60.687 4.387 -1.456 1.00 0.00 H new ATOM 0 HG1 THR A 35 62.844 4.920 -0.269 1.00 0.00 H new ATOM 0 HG21 THR A 35 61.263 1.980 -1.637 1.00 0.00 H new ATOM 0 HG22 THR A 35 61.130 2.736 -3.242 1.00 0.00 H new ATOM 0 HG23 THR A 35 62.733 2.402 -2.545 1.00 0.00 H new ATOM 498 N THR A 36 62.848 3.914 -4.649 1.00 0.00 N ATOM 499 CA THR A 36 62.638 3.526 -6.073 1.00 0.00 C ATOM 500 C THR A 36 62.275 2.041 -6.156 1.00 0.00 C ATOM 501 O THR A 36 62.939 1.266 -6.814 1.00 0.00 O ATOM 502 CB THR A 36 63.979 3.787 -6.759 1.00 0.00 C ATOM 503 OG1 THR A 36 64.353 5.144 -6.565 1.00 0.00 O ATOM 504 CG2 THR A 36 63.855 3.495 -8.254 1.00 0.00 C ATOM 0 H THR A 36 63.629 3.449 -4.186 1.00 0.00 H new ATOM 0 HA THR A 36 61.828 4.085 -6.542 1.00 0.00 H new ATOM 0 HB THR A 36 64.741 3.137 -6.328 1.00 0.00 H new ATOM 0 HG1 THR A 36 65.125 5.355 -7.131 1.00 0.00 H new ATOM 0 HG21 THR A 36 64.812 3.682 -8.742 1.00 0.00 H new ATOM 0 HG22 THR A 36 63.571 2.453 -8.399 1.00 0.00 H new ATOM 0 HG23 THR A 36 63.094 4.142 -8.689 1.00 0.00 H new ATOM 512 N CYS A 37 61.228 1.642 -5.488 1.00 0.00 N ATOM 513 CA CYS A 37 60.814 0.210 -5.517 1.00 0.00 C ATOM 514 C CYS A 37 60.958 -0.357 -6.932 1.00 0.00 C ATOM 515 O CYS A 37 60.100 -0.177 -7.773 1.00 0.00 O ATOM 516 CB CYS A 37 59.346 0.224 -5.089 1.00 0.00 C ATOM 517 SG CYS A 37 59.066 -1.006 -3.791 1.00 0.00 S ATOM 0 H CYS A 37 60.638 2.250 -4.920 1.00 0.00 H new ATOM 0 HA CYS A 37 61.427 -0.414 -4.866 1.00 0.00 H new ATOM 0 HB2 CYS A 37 59.074 1.215 -4.726 1.00 0.00 H new ATOM 0 HB3 CYS A 37 58.707 0.012 -5.946 1.00 0.00 H new ATOM 522 N THR A 38 62.040 -1.037 -7.204 1.00 0.00 N ATOM 523 CA THR A 38 62.239 -1.610 -8.566 1.00 0.00 C ATOM 524 C THR A 38 61.646 -3.020 -8.640 1.00 0.00 C ATOM 525 O THR A 38 62.284 -3.948 -9.096 1.00 0.00 O ATOM 526 CB THR A 38 63.756 -1.654 -8.760 1.00 0.00 C ATOM 527 OG1 THR A 38 64.291 -0.348 -8.600 1.00 0.00 O ATOM 528 CG2 THR A 38 64.078 -2.172 -10.162 1.00 0.00 C ATOM 0 H THR A 38 62.794 -1.220 -6.542 1.00 0.00 H new ATOM 0 HA THR A 38 61.747 -1.019 -9.338 1.00 0.00 H new ATOM 0 HB THR A 38 64.198 -2.320 -8.019 1.00 0.00 H new ATOM 0 HG1 THR A 38 63.759 0.145 -7.941 1.00 0.00 H new ATOM 0 HG21 THR A 38 65.159 -2.203 -10.299 1.00 0.00 H new ATOM 0 HG22 THR A 38 63.668 -3.175 -10.282 1.00 0.00 H new ATOM 0 HG23 THR A 38 63.637 -1.508 -10.905 1.00 0.00 H new ATOM 536 N GLY A 39 60.431 -3.188 -8.195 1.00 0.00 N ATOM 537 CA GLY A 39 59.797 -4.536 -8.241 1.00 0.00 C ATOM 538 C GLY A 39 60.173 -5.321 -6.983 1.00 0.00 C ATOM 539 O GLY A 39 60.173 -6.535 -6.975 1.00 0.00 O ATOM 0 H GLY A 39 59.849 -2.449 -7.801 1.00 0.00 H new ATOM 0 HA2 GLY A 39 58.714 -4.438 -8.311 1.00 0.00 H new ATOM 0 HA3 GLY A 39 60.126 -5.074 -9.130 1.00 0.00 H new ATOM 543 N SER A 40 60.492 -4.635 -5.922 1.00 0.00 N ATOM 544 CA SER A 40 60.869 -5.338 -4.662 1.00 0.00 C ATOM 545 C SER A 40 59.677 -5.378 -3.701 1.00 0.00 C ATOM 546 O SER A 40 58.534 -5.321 -4.109 1.00 0.00 O ATOM 547 CB SER A 40 62.002 -4.503 -4.068 1.00 0.00 C ATOM 548 OG SER A 40 61.522 -3.195 -3.788 1.00 0.00 O ATOM 0 H SER A 40 60.508 -3.616 -5.872 1.00 0.00 H new ATOM 0 HA SER A 40 61.170 -6.370 -4.840 1.00 0.00 H new ATOM 0 HB2 SER A 40 62.374 -4.970 -3.156 1.00 0.00 H new ATOM 0 HB3 SER A 40 62.838 -4.455 -4.765 1.00 0.00 H new ATOM 0 HG SER A 40 60.581 -3.128 -4.054 1.00 0.00 H new ATOM 554 N ARG A 41 59.937 -5.473 -2.426 1.00 0.00 N ATOM 555 CA ARG A 41 58.824 -5.513 -1.435 1.00 0.00 C ATOM 556 C ARG A 41 59.373 -5.318 -0.019 1.00 0.00 C ATOM 557 O ARG A 41 60.530 -5.578 0.248 1.00 0.00 O ATOM 558 CB ARG A 41 58.199 -6.899 -1.588 1.00 0.00 C ATOM 559 CG ARG A 41 59.196 -7.967 -1.132 1.00 0.00 C ATOM 560 CD ARG A 41 58.466 -9.026 -0.305 1.00 0.00 C ATOM 561 NE ARG A 41 59.050 -10.324 -0.741 1.00 0.00 N ATOM 562 CZ ARG A 41 58.342 -11.146 -1.463 1.00 0.00 C ATOM 563 NH1 ARG A 41 58.321 -11.021 -2.762 1.00 0.00 N ATOM 564 NH2 ARG A 41 57.652 -12.093 -0.887 1.00 0.00 N ATOM 0 H ARG A 41 60.874 -5.525 -2.027 1.00 0.00 H new ATOM 0 HA ARG A 41 58.093 -4.722 -1.603 1.00 0.00 H new ATOM 0 HB2 ARG A 41 57.286 -6.964 -0.997 1.00 0.00 H new ATOM 0 HB3 ARG A 41 57.919 -7.069 -2.627 1.00 0.00 H new ATOM 0 HG2 ARG A 41 59.671 -8.430 -1.997 1.00 0.00 H new ATOM 0 HG3 ARG A 41 59.989 -7.510 -0.540 1.00 0.00 H new ATOM 0 HD2 ARG A 41 58.615 -8.865 0.763 1.00 0.00 H new ATOM 0 HD3 ARG A 41 57.391 -8.996 -0.485 1.00 0.00 H new ATOM 0 HE ARG A 41 60.003 -10.570 -0.475 1.00 0.00 H new ATOM 0 HH11 ARG A 41 58.859 -10.280 -3.212 1.00 0.00 H new ATOM 0 HH12 ARG A 41 57.767 -11.664 -3.327 1.00 0.00 H new ATOM 0 HH21 ARG A 41 57.667 -12.190 0.128 1.00 0.00 H new ATOM 0 HH22 ARG A 41 57.098 -12.736 -1.452 1.00 0.00 H new ATOM 578 N PHE A 42 58.556 -4.861 0.889 1.00 0.00 N ATOM 579 CA PHE A 42 59.040 -4.650 2.284 1.00 0.00 C ATOM 580 C PHE A 42 58.238 -5.506 3.267 1.00 0.00 C ATOM 581 O PHE A 42 57.302 -6.186 2.896 1.00 0.00 O ATOM 582 CB PHE A 42 58.814 -3.163 2.562 1.00 0.00 C ATOM 583 CG PHE A 42 59.402 -2.349 1.437 1.00 0.00 C ATOM 584 CD1 PHE A 42 60.560 -2.789 0.787 1.00 0.00 C ATOM 585 CD2 PHE A 42 58.788 -1.156 1.044 1.00 0.00 C ATOM 586 CE1 PHE A 42 61.105 -2.033 -0.257 1.00 0.00 C ATOM 587 CE2 PHE A 42 59.332 -0.401 0.000 1.00 0.00 C ATOM 588 CZ PHE A 42 60.490 -0.839 -0.651 1.00 0.00 C ATOM 0 H PHE A 42 57.577 -4.625 0.727 1.00 0.00 H new ATOM 0 HA PHE A 42 60.086 -4.935 2.401 1.00 0.00 H new ATOM 0 HB2 PHE A 42 57.748 -2.957 2.656 1.00 0.00 H new ATOM 0 HB3 PHE A 42 59.277 -2.884 3.508 1.00 0.00 H new ATOM 0 HD1 PHE A 42 61.033 -3.711 1.091 1.00 0.00 H new ATOM 0 HD2 PHE A 42 57.894 -0.818 1.546 1.00 0.00 H new ATOM 0 HE1 PHE A 42 62.000 -2.371 -0.759 1.00 0.00 H new ATOM 0 HE2 PHE A 42 58.858 0.521 -0.304 1.00 0.00 H new ATOM 0 HZ PHE A 42 60.909 -0.256 -1.458 1.00 0.00 H new ATOM 598 N ASP A 43 58.601 -5.471 4.520 1.00 0.00 N ATOM 599 CA ASP A 43 57.867 -6.277 5.537 1.00 0.00 C ATOM 600 C ASP A 43 58.078 -5.676 6.924 1.00 0.00 C ATOM 601 O ASP A 43 58.626 -6.302 7.808 1.00 0.00 O ATOM 602 CB ASP A 43 58.478 -7.676 5.459 1.00 0.00 C ATOM 603 CG ASP A 43 57.406 -8.680 5.030 1.00 0.00 C ATOM 604 OD1 ASP A 43 56.407 -8.781 5.721 1.00 0.00 O ATOM 605 OD2 ASP A 43 57.606 -9.332 4.018 1.00 0.00 O ATOM 0 H ASP A 43 59.376 -4.917 4.884 1.00 0.00 H new ATOM 0 HA ASP A 43 56.793 -6.297 5.354 1.00 0.00 H new ATOM 0 HB2 ASP A 43 59.304 -7.684 4.748 1.00 0.00 H new ATOM 0 HB3 ASP A 43 58.889 -7.959 6.428 1.00 0.00 H new ATOM 610 N GLY A 44 57.650 -4.461 7.118 1.00 0.00 N ATOM 611 CA GLY A 44 57.829 -3.816 8.443 1.00 0.00 C ATOM 612 C GLY A 44 59.081 -2.939 8.411 1.00 0.00 C ATOM 613 O GLY A 44 60.065 -3.228 9.061 1.00 0.00 O ATOM 0 H GLY A 44 57.184 -3.888 6.415 1.00 0.00 H new ATOM 0 HA2 GLY A 44 56.955 -3.213 8.688 1.00 0.00 H new ATOM 0 HA3 GLY A 44 57.922 -4.574 9.220 1.00 0.00 H new ATOM 617 N VAL A 45 59.065 -1.873 7.650 1.00 0.00 N ATOM 618 CA VAL A 45 60.277 -1.003 7.584 1.00 0.00 C ATOM 619 C VAL A 45 59.901 0.482 7.662 1.00 0.00 C ATOM 620 O VAL A 45 58.830 0.847 8.102 1.00 0.00 O ATOM 621 CB VAL A 45 60.933 -1.321 6.231 1.00 0.00 C ATOM 622 CG1 VAL A 45 60.806 -2.813 5.929 1.00 0.00 C ATOM 623 CG2 VAL A 45 60.249 -0.526 5.114 1.00 0.00 C ATOM 0 H VAL A 45 58.276 -1.571 7.079 1.00 0.00 H new ATOM 0 HA VAL A 45 60.949 -1.193 8.421 1.00 0.00 H new ATOM 0 HB VAL A 45 61.986 -1.045 6.282 1.00 0.00 H new ATOM 0 HG11 VAL A 45 61.273 -3.031 4.969 1.00 0.00 H new ATOM 0 HG12 VAL A 45 61.302 -3.386 6.712 1.00 0.00 H new ATOM 0 HG13 VAL A 45 59.752 -3.088 5.890 1.00 0.00 H new ATOM 0 HG21 VAL A 45 60.722 -0.759 4.160 1.00 0.00 H new ATOM 0 HG22 VAL A 45 59.193 -0.794 5.071 1.00 0.00 H new ATOM 0 HG23 VAL A 45 60.345 0.541 5.316 1.00 0.00 H new ATOM 633 N THR A 46 60.791 1.333 7.229 1.00 0.00 N ATOM 634 CA THR A 46 60.521 2.798 7.260 1.00 0.00 C ATOM 635 C THR A 46 61.555 3.524 6.396 1.00 0.00 C ATOM 636 O THR A 46 62.231 4.428 6.844 1.00 0.00 O ATOM 637 CB THR A 46 60.666 3.199 8.729 1.00 0.00 C ATOM 638 OG1 THR A 46 59.675 2.535 9.500 1.00 0.00 O ATOM 639 CG2 THR A 46 60.493 4.713 8.865 1.00 0.00 C ATOM 0 H THR A 46 61.702 1.073 6.852 1.00 0.00 H new ATOM 0 HA THR A 46 59.535 3.054 6.871 1.00 0.00 H new ATOM 0 HB THR A 46 61.655 2.915 9.088 1.00 0.00 H new ATOM 0 HG1 THR A 46 58.972 2.196 8.907 1.00 0.00 H new ATOM 0 HG21 THR A 46 60.596 4.998 9.912 1.00 0.00 H new ATOM 0 HG22 THR A 46 61.255 5.221 8.273 1.00 0.00 H new ATOM 0 HG23 THR A 46 59.504 5.000 8.507 1.00 0.00 H new ATOM 647 N ILE A 47 61.688 3.123 5.161 1.00 0.00 N ATOM 648 CA ILE A 47 62.685 3.775 4.264 1.00 0.00 C ATOM 649 C ILE A 47 62.130 5.089 3.709 1.00 0.00 C ATOM 650 O ILE A 47 60.973 5.413 3.889 1.00 0.00 O ATOM 651 CB ILE A 47 62.909 2.767 3.136 1.00 0.00 C ATOM 652 CG1 ILE A 47 63.921 3.331 2.136 1.00 0.00 C ATOM 653 CG2 ILE A 47 61.583 2.499 2.422 1.00 0.00 C ATOM 654 CD1 ILE A 47 64.527 2.186 1.320 1.00 0.00 C ATOM 0 H ILE A 47 61.148 2.370 4.733 1.00 0.00 H new ATOM 0 HA ILE A 47 63.610 4.024 4.785 1.00 0.00 H new ATOM 0 HB ILE A 47 63.293 1.836 3.554 1.00 0.00 H new ATOM 0 HG12 ILE A 47 63.433 4.045 1.473 1.00 0.00 H new ATOM 0 HG13 ILE A 47 64.707 3.871 2.664 1.00 0.00 H new ATOM 0 HG21 ILE A 47 61.742 1.781 1.618 1.00 0.00 H new ATOM 0 HG22 ILE A 47 60.862 2.095 3.133 1.00 0.00 H new ATOM 0 HG23 ILE A 47 61.199 3.430 2.006 1.00 0.00 H new ATOM 0 HD11 ILE A 47 65.248 2.588 0.608 1.00 0.00 H new ATOM 0 HD12 ILE A 47 65.029 1.488 1.990 1.00 0.00 H new ATOM 0 HD13 ILE A 47 63.736 1.665 0.780 1.00 0.00 H new ATOM 666 N THR A 48 62.949 5.847 3.034 1.00 0.00 N ATOM 667 CA THR A 48 62.476 7.141 2.465 1.00 0.00 C ATOM 668 C THR A 48 63.076 7.348 1.065 1.00 0.00 C ATOM 669 O THR A 48 62.769 6.621 0.142 1.00 0.00 O ATOM 670 CB THR A 48 62.975 8.205 3.445 1.00 0.00 C ATOM 671 OG1 THR A 48 64.332 7.948 3.769 1.00 0.00 O ATOM 672 CG2 THR A 48 62.129 8.169 4.718 1.00 0.00 C ATOM 0 H THR A 48 63.928 5.626 2.851 1.00 0.00 H new ATOM 0 HA THR A 48 61.393 7.181 2.348 1.00 0.00 H new ATOM 0 HB THR A 48 62.891 9.190 2.985 1.00 0.00 H new ATOM 0 HG1 THR A 48 64.518 8.268 4.677 1.00 0.00 H new ATOM 0 HG21 THR A 48 62.487 8.928 5.414 1.00 0.00 H new ATOM 0 HG22 THR A 48 61.087 8.368 4.468 1.00 0.00 H new ATOM 0 HG23 THR A 48 62.210 7.185 5.181 1.00 0.00 H new ATOM 680 N THR A 49 63.932 8.322 0.897 1.00 0.00 N ATOM 681 CA THR A 49 64.542 8.550 -0.444 1.00 0.00 C ATOM 682 C THR A 49 65.741 7.619 -0.628 1.00 0.00 C ATOM 683 O THR A 49 66.875 8.045 -0.606 1.00 0.00 O ATOM 684 CB THR A 49 64.997 10.011 -0.427 1.00 0.00 C ATOM 685 OG1 THR A 49 63.860 10.857 -0.339 1.00 0.00 O ATOM 686 CG2 THR A 49 65.773 10.327 -1.708 1.00 0.00 C ATOM 0 H THR A 49 64.233 8.966 1.628 1.00 0.00 H new ATOM 0 HA THR A 49 63.848 8.351 -1.260 1.00 0.00 H new ATOM 0 HB THR A 49 65.644 10.178 0.434 1.00 0.00 H new ATOM 0 HG1 THR A 49 64.149 11.793 -0.326 1.00 0.00 H new ATOM 0 HG21 THR A 49 66.095 11.368 -1.691 1.00 0.00 H new ATOM 0 HG22 THR A 49 66.647 9.678 -1.774 1.00 0.00 H new ATOM 0 HG23 THR A 49 65.131 10.160 -2.573 1.00 0.00 H new ATOM 694 N SER A 50 65.505 6.349 -0.799 1.00 0.00 N ATOM 695 CA SER A 50 66.643 5.403 -0.970 1.00 0.00 C ATOM 696 C SER A 50 66.442 4.537 -2.214 1.00 0.00 C ATOM 697 O SER A 50 65.343 4.117 -2.519 1.00 0.00 O ATOM 698 CB SER A 50 66.621 4.537 0.289 1.00 0.00 C ATOM 699 OG SER A 50 67.253 5.240 1.352 1.00 0.00 O ATOM 0 H SER A 50 64.577 5.926 -0.828 1.00 0.00 H new ATOM 0 HA SER A 50 67.592 5.923 -1.100 1.00 0.00 H new ATOM 0 HB2 SER A 50 65.594 4.293 0.559 1.00 0.00 H new ATOM 0 HB3 SER A 50 67.135 3.594 0.105 1.00 0.00 H new ATOM 0 HG SER A 50 66.755 5.093 2.183 1.00 0.00 H new ATOM 705 N THR A 51 67.497 4.260 -2.933 1.00 0.00 N ATOM 706 CA THR A 51 67.360 3.413 -4.150 1.00 0.00 C ATOM 707 C THR A 51 67.531 1.941 -3.775 1.00 0.00 C ATOM 708 O THR A 51 68.434 1.578 -3.050 1.00 0.00 O ATOM 709 CB THR A 51 68.486 3.866 -5.081 1.00 0.00 C ATOM 710 OG1 THR A 51 68.909 5.171 -4.709 1.00 0.00 O ATOM 711 CG2 THR A 51 67.979 3.883 -6.524 1.00 0.00 C ATOM 0 H THR A 51 68.443 4.583 -2.730 1.00 0.00 H new ATOM 0 HA THR A 51 66.383 3.515 -4.622 1.00 0.00 H new ATOM 0 HB THR A 51 69.326 3.176 -5.001 1.00 0.00 H new ATOM 0 HG1 THR A 51 69.381 5.588 -5.460 1.00 0.00 H new ATOM 0 HG21 THR A 51 68.781 4.206 -7.188 1.00 0.00 H new ATOM 0 HG22 THR A 51 67.654 2.882 -6.807 1.00 0.00 H new ATOM 0 HG23 THR A 51 67.140 4.574 -6.607 1.00 0.00 H new ATOM 719 N SER A 52 66.667 1.092 -4.253 1.00 0.00 N ATOM 720 CA SER A 52 66.781 -0.355 -3.912 1.00 0.00 C ATOM 721 C SER A 52 66.412 -1.216 -5.120 1.00 0.00 C ATOM 722 O SER A 52 65.315 -1.136 -5.639 1.00 0.00 O ATOM 723 CB SER A 52 65.784 -0.576 -2.773 1.00 0.00 C ATOM 724 OG SER A 52 64.920 0.549 -2.674 1.00 0.00 O ATOM 0 H SER A 52 65.887 1.335 -4.864 1.00 0.00 H new ATOM 0 HA SER A 52 67.796 -0.630 -3.625 1.00 0.00 H new ATOM 0 HB2 SER A 52 65.202 -1.480 -2.955 1.00 0.00 H new ATOM 0 HB3 SER A 52 66.316 -0.723 -1.833 1.00 0.00 H new ATOM 0 HG SER A 52 64.280 0.407 -1.946 1.00 0.00 H new ATOM 730 N THR A 53 67.314 -2.044 -5.570 1.00 0.00 N ATOM 731 CA THR A 53 67.005 -2.912 -6.739 1.00 0.00 C ATOM 732 C THR A 53 66.697 -4.330 -6.263 1.00 0.00 C ATOM 733 O THR A 53 67.584 -5.139 -6.074 1.00 0.00 O ATOM 734 CB THR A 53 68.271 -2.892 -7.594 1.00 0.00 C ATOM 735 OG1 THR A 53 68.999 -1.702 -7.330 1.00 0.00 O ATOM 736 CG2 THR A 53 67.888 -2.942 -9.074 1.00 0.00 C ATOM 0 H THR A 53 68.249 -2.156 -5.179 1.00 0.00 H new ATOM 0 HA THR A 53 66.136 -2.566 -7.299 1.00 0.00 H new ATOM 0 HB THR A 53 68.889 -3.757 -7.352 1.00 0.00 H new ATOM 0 HG1 THR A 53 69.944 -1.921 -7.193 1.00 0.00 H new ATOM 0 HG21 THR A 53 68.791 -2.928 -9.684 1.00 0.00 H new ATOM 0 HG22 THR A 53 67.329 -3.856 -9.274 1.00 0.00 H new ATOM 0 HG23 THR A 53 67.271 -2.078 -9.319 1.00 0.00 H new ATOM 744 N GLY A 54 65.447 -4.638 -6.054 1.00 0.00 N ATOM 745 CA GLY A 54 65.090 -6.002 -5.577 1.00 0.00 C ATOM 746 C GLY A 54 65.729 -6.229 -4.207 1.00 0.00 C ATOM 747 O GLY A 54 66.861 -6.653 -4.105 1.00 0.00 O ATOM 0 H GLY A 54 64.659 -4.005 -6.193 1.00 0.00 H new ATOM 0 HA2 GLY A 54 64.007 -6.107 -5.510 1.00 0.00 H new ATOM 0 HA3 GLY A 54 65.440 -6.753 -6.285 1.00 0.00 H new ATOM 751 N SER A 55 65.014 -5.942 -3.153 1.00 0.00 N ATOM 752 CA SER A 55 65.586 -6.138 -1.790 1.00 0.00 C ATOM 753 C SER A 55 64.469 -6.193 -0.745 1.00 0.00 C ATOM 754 O SER A 55 63.691 -5.271 -0.605 1.00 0.00 O ATOM 755 CB SER A 55 66.480 -4.923 -1.558 1.00 0.00 C ATOM 756 OG SER A 55 65.671 -3.757 -1.461 1.00 0.00 O ATOM 0 H SER A 55 64.060 -5.581 -3.177 1.00 0.00 H new ATOM 0 HA SER A 55 66.139 -7.073 -1.707 1.00 0.00 H new ATOM 0 HB2 SER A 55 67.061 -5.054 -0.645 1.00 0.00 H new ATOM 0 HB3 SER A 55 67.192 -4.819 -2.377 1.00 0.00 H new ATOM 0 HG SER A 55 64.800 -3.994 -1.079 1.00 0.00 H new ATOM 762 N ARG A 56 64.390 -7.265 -0.006 1.00 0.00 N ATOM 763 CA ARG A 56 63.330 -7.376 1.033 1.00 0.00 C ATOM 764 C ARG A 56 63.721 -6.548 2.257 1.00 0.00 C ATOM 765 O ARG A 56 64.562 -6.939 3.041 1.00 0.00 O ATOM 766 CB ARG A 56 63.269 -8.863 1.384 1.00 0.00 C ATOM 767 CG ARG A 56 62.268 -9.080 2.521 1.00 0.00 C ATOM 768 CD ARG A 56 61.458 -10.351 2.254 1.00 0.00 C ATOM 769 NE ARG A 56 62.474 -11.398 1.955 1.00 0.00 N ATOM 770 CZ ARG A 56 62.097 -12.623 1.701 1.00 0.00 C ATOM 771 NH1 ARG A 56 61.024 -13.105 2.267 1.00 0.00 N ATOM 772 NH2 ARG A 56 62.792 -13.362 0.882 1.00 0.00 N ATOM 0 H ARG A 56 65.014 -8.069 -0.077 1.00 0.00 H new ATOM 0 HA ARG A 56 62.365 -7.006 0.687 1.00 0.00 H new ATOM 0 HB2 ARG A 56 62.973 -9.442 0.509 1.00 0.00 H new ATOM 0 HB3 ARG A 56 64.256 -9.218 1.682 1.00 0.00 H new ATOM 0 HG2 ARG A 56 62.794 -9.165 3.472 1.00 0.00 H new ATOM 0 HG3 ARG A 56 61.601 -8.221 2.601 1.00 0.00 H new ATOM 0 HD2 ARG A 56 60.853 -10.623 3.119 1.00 0.00 H new ATOM 0 HD3 ARG A 56 60.773 -10.214 1.417 1.00 0.00 H new ATOM 0 HE ARG A 56 63.465 -11.159 1.948 1.00 0.00 H new ATOM 0 HH11 ARG A 56 60.481 -12.525 2.907 1.00 0.00 H new ATOM 0 HH12 ARG A 56 60.729 -14.061 2.069 1.00 0.00 H new ATOM 0 HH21 ARG A 56 63.630 -12.984 0.440 1.00 0.00 H new ATOM 0 HH22 ARG A 56 62.498 -14.318 0.684 1.00 0.00 H new ATOM 786 N ILE A 57 63.122 -5.402 2.425 1.00 0.00 N ATOM 787 CA ILE A 57 63.468 -4.542 3.593 1.00 0.00 C ATOM 788 C ILE A 57 62.785 -5.054 4.866 1.00 0.00 C ATOM 789 O ILE A 57 62.810 -4.407 5.895 1.00 0.00 O ATOM 790 CB ILE A 57 62.948 -3.152 3.223 1.00 0.00 C ATOM 791 CG1 ILE A 57 63.438 -2.780 1.820 1.00 0.00 C ATOM 792 CG2 ILE A 57 63.473 -2.129 4.230 1.00 0.00 C ATOM 793 CD1 ILE A 57 64.965 -2.859 1.773 1.00 0.00 C ATOM 0 H ILE A 57 62.407 -5.023 1.804 1.00 0.00 H new ATOM 0 HA ILE A 57 64.539 -4.540 3.798 1.00 0.00 H new ATOM 0 HB ILE A 57 61.858 -3.156 3.239 1.00 0.00 H new ATOM 0 HG12 ILE A 57 63.006 -3.455 1.082 1.00 0.00 H new ATOM 0 HG13 ILE A 57 63.108 -1.774 1.563 1.00 0.00 H new ATOM 0 HG21 ILE A 57 63.103 -1.138 3.968 1.00 0.00 H new ATOM 0 HG22 ILE A 57 63.128 -2.392 5.230 1.00 0.00 H new ATOM 0 HG23 ILE A 57 64.563 -2.126 4.211 1.00 0.00 H new ATOM 0 HD11 ILE A 57 65.312 -2.594 0.774 1.00 0.00 H new ATOM 0 HD12 ILE A 57 65.388 -2.166 2.500 1.00 0.00 H new ATOM 0 HD13 ILE A 57 65.284 -3.874 2.011 1.00 0.00 H new ATOM 805 N SER A 58 62.181 -6.212 4.810 1.00 0.00 N ATOM 806 CA SER A 58 61.504 -6.766 6.021 1.00 0.00 C ATOM 807 C SER A 58 62.349 -6.516 7.272 1.00 0.00 C ATOM 808 O SER A 58 63.560 -6.451 7.211 1.00 0.00 O ATOM 809 CB SER A 58 61.399 -8.264 5.755 1.00 0.00 C ATOM 810 OG SER A 58 62.680 -8.859 5.920 1.00 0.00 O ATOM 0 H SER A 58 62.127 -6.799 3.978 1.00 0.00 H new ATOM 0 HA SER A 58 60.533 -6.302 6.195 1.00 0.00 H new ATOM 0 HB2 SER A 58 60.683 -8.718 6.440 1.00 0.00 H new ATOM 0 HB3 SER A 58 61.030 -8.441 4.745 1.00 0.00 H new ATOM 0 HG SER A 58 62.617 -9.822 5.752 1.00 0.00 H new ATOM 816 N GLY A 59 61.721 -6.380 8.409 1.00 0.00 N ATOM 817 CA GLY A 59 62.498 -6.142 9.656 1.00 0.00 C ATOM 818 C GLY A 59 61.551 -5.726 10.782 1.00 0.00 C ATOM 819 O GLY A 59 60.619 -4.978 10.565 1.00 0.00 O ATOM 0 H GLY A 59 60.709 -6.423 8.527 1.00 0.00 H new ATOM 0 HA2 GLY A 59 63.038 -7.046 9.937 1.00 0.00 H new ATOM 0 HA3 GLY A 59 63.243 -5.364 9.489 1.00 0.00 H new ATOM 823 N PRO A 60 61.830 -6.226 11.955 1.00 0.00 N ATOM 824 CA PRO A 60 60.996 -5.898 13.134 1.00 0.00 C ATOM 825 C PRO A 60 61.260 -4.456 13.569 1.00 0.00 C ATOM 826 O PRO A 60 61.654 -4.192 14.688 1.00 0.00 O ATOM 827 CB PRO A 60 61.468 -6.891 14.193 1.00 0.00 C ATOM 828 CG PRO A 60 62.863 -7.252 13.791 1.00 0.00 C ATOM 829 CD PRO A 60 62.935 -7.130 12.289 1.00 0.00 C ATOM 0 HA PRO A 60 59.925 -5.971 12.947 1.00 0.00 H new ATOM 0 HB2 PRO A 60 61.447 -6.447 15.188 1.00 0.00 H new ATOM 0 HB3 PRO A 60 60.826 -7.771 14.223 1.00 0.00 H new ATOM 0 HG2 PRO A 60 63.585 -6.589 14.267 1.00 0.00 H new ATOM 0 HG3 PRO A 60 63.105 -8.267 14.108 1.00 0.00 H new ATOM 0 HD2 PRO A 60 63.894 -6.725 11.967 1.00 0.00 H new ATOM 0 HD3 PRO A 60 62.819 -8.099 11.803 1.00 0.00 H new ATOM 837 N GLY A 61 61.050 -3.523 12.683 1.00 0.00 N ATOM 838 CA GLY A 61 61.292 -2.093 13.024 1.00 0.00 C ATOM 839 C GLY A 61 62.329 -1.512 12.058 1.00 0.00 C ATOM 840 O GLY A 61 62.964 -0.515 12.339 1.00 0.00 O ATOM 0 H GLY A 61 60.720 -3.690 11.733 1.00 0.00 H new ATOM 0 HA2 GLY A 61 60.361 -1.529 12.959 1.00 0.00 H new ATOM 0 HA3 GLY A 61 61.646 -2.007 14.051 1.00 0.00 H new ATOM 844 N CYS A 62 62.507 -2.133 10.921 1.00 0.00 N ATOM 845 CA CYS A 62 63.503 -1.625 9.933 1.00 0.00 C ATOM 846 C CYS A 62 63.418 -0.101 9.818 1.00 0.00 C ATOM 847 O CYS A 62 62.367 0.488 9.974 1.00 0.00 O ATOM 848 CB CYS A 62 63.114 -2.281 8.605 1.00 0.00 C ATOM 849 SG CYS A 62 64.560 -3.097 7.879 1.00 0.00 S ATOM 0 H CYS A 62 62.004 -2.972 10.634 1.00 0.00 H new ATOM 0 HA CYS A 62 64.526 -1.862 10.226 1.00 0.00 H new ATOM 0 HB2 CYS A 62 62.318 -3.008 8.767 1.00 0.00 H new ATOM 0 HB3 CYS A 62 62.725 -1.530 7.918 1.00 0.00 H new ATOM 854 N LYS A 63 64.519 0.536 9.536 1.00 0.00 N ATOM 855 CA LYS A 63 64.517 2.020 9.397 1.00 0.00 C ATOM 856 C LYS A 63 65.636 2.441 8.444 1.00 0.00 C ATOM 857 O LYS A 63 66.804 2.282 8.739 1.00 0.00 O ATOM 858 CB LYS A 63 64.780 2.555 10.806 1.00 0.00 C ATOM 859 CG LYS A 63 64.835 4.084 10.769 1.00 0.00 C ATOM 860 CD LYS A 63 65.145 4.619 12.168 1.00 0.00 C ATOM 861 CE LYS A 63 66.658 4.596 12.401 1.00 0.00 C ATOM 862 NZ LYS A 63 66.901 3.382 13.229 1.00 0.00 N ATOM 0 H LYS A 63 65.426 0.091 9.395 1.00 0.00 H new ATOM 0 HA LYS A 63 63.580 2.404 8.992 1.00 0.00 H new ATOM 0 HB2 LYS A 63 63.993 2.225 11.485 1.00 0.00 H new ATOM 0 HB3 LYS A 63 65.719 2.156 11.189 1.00 0.00 H new ATOM 0 HG2 LYS A 63 65.599 4.414 10.065 1.00 0.00 H new ATOM 0 HG3 LYS A 63 63.884 4.484 10.418 1.00 0.00 H new ATOM 0 HD2 LYS A 63 64.766 5.636 12.272 1.00 0.00 H new ATOM 0 HD3 LYS A 63 64.641 4.012 12.921 1.00 0.00 H new ATOM 0 HE2 LYS A 63 67.202 4.546 11.458 1.00 0.00 H new ATOM 0 HE3 LYS A 63 66.992 5.498 12.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 67.093 3.664 14.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 66.061 2.770 13.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 67.720 2.863 12.852 1.00 0.00 H new ATOM 876 N ILE A 64 65.294 2.958 7.296 1.00 0.00 N ATOM 877 CA ILE A 64 66.352 3.362 6.326 1.00 0.00 C ATOM 878 C ILE A 64 66.132 4.801 5.846 1.00 0.00 C ATOM 879 O ILE A 64 65.036 5.323 5.896 1.00 0.00 O ATOM 880 CB ILE A 64 66.218 2.385 5.154 1.00 0.00 C ATOM 881 CG1 ILE A 64 65.927 0.976 5.681 1.00 0.00 C ATOM 882 CG2 ILE A 64 67.523 2.367 4.356 1.00 0.00 C ATOM 883 CD1 ILE A 64 64.414 0.750 5.717 1.00 0.00 C ATOM 0 H ILE A 64 64.335 3.118 6.989 1.00 0.00 H new ATOM 0 HA ILE A 64 67.344 3.330 6.777 1.00 0.00 H new ATOM 0 HB ILE A 64 65.398 2.706 4.512 1.00 0.00 H new ATOM 0 HG12 ILE A 64 66.402 0.231 5.042 1.00 0.00 H new ATOM 0 HG13 ILE A 64 66.348 0.855 6.679 1.00 0.00 H new ATOM 0 HG21 ILE A 64 67.430 1.672 3.521 1.00 0.00 H new ATOM 0 HG22 ILE A 64 67.730 3.367 3.974 1.00 0.00 H new ATOM 0 HG23 ILE A 64 68.341 2.049 5.003 1.00 0.00 H new ATOM 0 HD11 ILE A 64 64.205 -0.252 6.092 1.00 0.00 H new ATOM 0 HD12 ILE A 64 63.952 1.487 6.374 1.00 0.00 H new ATOM 0 HD13 ILE A 64 64.007 0.854 4.711 1.00 0.00 H new ATOM 895 N SER A 65 67.170 5.441 5.374 1.00 0.00 N ATOM 896 CA SER A 65 67.032 6.841 4.880 1.00 0.00 C ATOM 897 C SER A 65 68.159 7.159 3.891 1.00 0.00 C ATOM 898 O SER A 65 69.302 7.324 4.269 1.00 0.00 O ATOM 899 CB SER A 65 67.144 7.718 6.127 1.00 0.00 C ATOM 900 OG SER A 65 68.010 8.812 5.857 1.00 0.00 O ATOM 0 H SER A 65 68.111 5.052 5.310 1.00 0.00 H new ATOM 0 HA SER A 65 66.091 7.006 4.356 1.00 0.00 H new ATOM 0 HB2 SER A 65 66.159 8.083 6.419 1.00 0.00 H new ATOM 0 HB3 SER A 65 67.528 7.134 6.963 1.00 0.00 H new ATOM 0 HG SER A 65 68.082 9.377 6.655 1.00 0.00 H new ATOM 906 N THR A 66 67.846 7.237 2.626 1.00 0.00 N ATOM 907 CA THR A 66 68.899 7.537 1.610 1.00 0.00 C ATOM 908 C THR A 66 69.944 6.420 1.582 1.00 0.00 C ATOM 909 O THR A 66 70.996 6.525 2.176 1.00 0.00 O ATOM 910 CB THR A 66 69.531 8.856 2.051 1.00 0.00 C ATOM 911 OG1 THR A 66 68.543 9.673 2.663 1.00 0.00 O ATOM 912 CG2 THR A 66 70.106 9.570 0.827 1.00 0.00 C ATOM 0 H THR A 66 66.907 7.106 2.251 1.00 0.00 H new ATOM 0 HA THR A 66 68.485 7.608 0.604 1.00 0.00 H new ATOM 0 HB THR A 66 70.329 8.662 2.768 1.00 0.00 H new ATOM 0 HG1 THR A 66 68.948 10.519 2.948 1.00 0.00 H new ATOM 0 HG21 THR A 66 70.559 10.513 1.135 1.00 0.00 H new ATOM 0 HG22 THR A 66 70.863 8.939 0.360 1.00 0.00 H new ATOM 0 HG23 THR A 66 69.307 9.768 0.112 1.00 0.00 H new ATOM 920 N CYS A 67 69.660 5.357 0.887 1.00 0.00 N ATOM 921 CA CYS A 67 70.633 4.227 0.806 1.00 0.00 C ATOM 922 C CYS A 67 70.538 3.564 -0.568 1.00 0.00 C ATOM 923 O CYS A 67 69.570 2.898 -0.875 1.00 0.00 O ATOM 924 CB CYS A 67 70.202 3.240 1.895 1.00 0.00 C ATOM 925 SG CYS A 67 70.850 3.783 3.491 1.00 0.00 S ATOM 0 H CYS A 67 68.793 5.218 0.368 1.00 0.00 H new ATOM 0 HA CYS A 67 71.662 4.559 0.944 1.00 0.00 H new ATOM 0 HB2 CYS A 67 69.115 3.178 1.934 1.00 0.00 H new ATOM 0 HB3 CYS A 67 70.570 2.241 1.662 1.00 0.00 H new ATOM 930 N ILE A 68 71.527 3.735 -1.399 1.00 0.00 N ATOM 931 CA ILE A 68 71.469 3.100 -2.745 1.00 0.00 C ATOM 932 C ILE A 68 71.701 1.595 -2.613 1.00 0.00 C ATOM 933 O ILE A 68 72.818 1.118 -2.660 1.00 0.00 O ATOM 934 CB ILE A 68 72.586 3.751 -3.560 1.00 0.00 C ATOM 935 CG1 ILE A 68 72.187 5.183 -3.926 1.00 0.00 C ATOM 936 CG2 ILE A 68 72.803 2.949 -4.841 1.00 0.00 C ATOM 937 CD1 ILE A 68 72.059 6.026 -2.656 1.00 0.00 C ATOM 0 H ILE A 68 72.366 4.282 -1.208 1.00 0.00 H new ATOM 0 HA ILE A 68 70.500 3.239 -3.225 1.00 0.00 H new ATOM 0 HB ILE A 68 73.503 3.768 -2.972 1.00 0.00 H new ATOM 0 HG12 ILE A 68 72.933 5.620 -4.590 1.00 0.00 H new ATOM 0 HG13 ILE A 68 71.241 5.180 -4.468 1.00 0.00 H new ATOM 0 HG21 ILE A 68 73.599 3.408 -5.427 1.00 0.00 H new ATOM 0 HG22 ILE A 68 73.083 1.927 -4.587 1.00 0.00 H new ATOM 0 HG23 ILE A 68 71.882 2.939 -5.424 1.00 0.00 H new ATOM 0 HD11 ILE A 68 71.775 7.044 -2.922 1.00 0.00 H new ATOM 0 HD12 ILE A 68 71.296 5.594 -2.008 1.00 0.00 H new ATOM 0 HD13 ILE A 68 73.014 6.041 -2.132 1.00 0.00 H new ATOM 949 N ILE A 69 70.649 0.845 -2.439 1.00 0.00 N ATOM 950 CA ILE A 69 70.796 -0.632 -2.295 1.00 0.00 C ATOM 951 C ILE A 69 70.518 -1.326 -3.631 1.00 0.00 C ATOM 952 O ILE A 69 69.846 -0.791 -4.490 1.00 0.00 O ATOM 953 CB ILE A 69 69.750 -1.027 -1.251 1.00 0.00 C ATOM 954 CG1 ILE A 69 69.986 -0.232 0.037 1.00 0.00 C ATOM 955 CG2 ILE A 69 69.863 -2.523 -0.955 1.00 0.00 C ATOM 956 CD1 ILE A 69 68.643 0.075 0.706 1.00 0.00 C ATOM 0 H ILE A 69 69.691 1.191 -2.390 1.00 0.00 H new ATOM 0 HA ILE A 69 71.803 -0.923 -1.996 1.00 0.00 H new ATOM 0 HB ILE A 69 68.754 -0.807 -1.635 1.00 0.00 H new ATOM 0 HG12 ILE A 69 70.620 -0.801 0.716 1.00 0.00 H new ATOM 0 HG13 ILE A 69 70.512 0.696 -0.188 1.00 0.00 H new ATOM 0 HG21 ILE A 69 69.118 -2.804 -0.211 1.00 0.00 H new ATOM 0 HG22 ILE A 69 69.693 -3.089 -1.871 1.00 0.00 H new ATOM 0 HG23 ILE A 69 70.859 -2.744 -0.572 1.00 0.00 H new ATOM 0 HD11 ILE A 69 68.814 0.641 1.622 1.00 0.00 H new ATOM 0 HD12 ILE A 69 68.024 0.662 0.027 1.00 0.00 H new ATOM 0 HD13 ILE A 69 68.134 -0.859 0.946 1.00 0.00 H new ATOM 968 N THR A 70 71.031 -2.512 -3.815 1.00 0.00 N ATOM 969 CA THR A 70 70.797 -3.235 -5.101 1.00 0.00 C ATOM 970 C THR A 70 70.921 -4.746 -4.895 1.00 0.00 C ATOM 971 O THR A 70 72.008 -5.286 -4.844 1.00 0.00 O ATOM 972 CB THR A 70 71.895 -2.737 -6.041 1.00 0.00 C ATOM 973 OG1 THR A 70 71.582 -1.423 -6.480 1.00 0.00 O ATOM 974 CG2 THR A 70 71.999 -3.670 -7.249 1.00 0.00 C ATOM 0 H THR A 70 71.601 -3.012 -3.133 1.00 0.00 H new ATOM 0 HA THR A 70 69.799 -3.049 -5.498 1.00 0.00 H new ATOM 0 HB THR A 70 72.848 -2.726 -5.512 1.00 0.00 H new ATOM 0 HG1 THR A 70 70.952 -1.010 -5.853 1.00 0.00 H new ATOM 0 HG21 THR A 70 72.782 -3.313 -7.918 1.00 0.00 H new ATOM 0 HG22 THR A 70 72.242 -4.677 -6.911 1.00 0.00 H new ATOM 0 HG23 THR A 70 71.047 -3.685 -7.780 1.00 0.00 H new ATOM 982 N GLY A 71 69.821 -5.437 -4.788 1.00 0.00 N ATOM 983 CA GLY A 71 69.889 -6.912 -4.597 1.00 0.00 C ATOM 984 C GLY A 71 69.974 -7.237 -3.106 1.00 0.00 C ATOM 985 O GLY A 71 70.629 -8.177 -2.703 1.00 0.00 O ATOM 0 H GLY A 71 68.880 -5.045 -4.824 1.00 0.00 H new ATOM 0 HA2 GLY A 71 69.009 -7.385 -5.032 1.00 0.00 H new ATOM 0 HA3 GLY A 71 70.758 -7.316 -5.117 1.00 0.00 H new ATOM 989 N GLY A 72 69.318 -6.468 -2.285 1.00 0.00 N ATOM 990 CA GLY A 72 69.363 -6.735 -0.821 1.00 0.00 C ATOM 991 C GLY A 72 70.702 -6.256 -0.253 1.00 0.00 C ATOM 992 O GLY A 72 71.092 -6.627 0.836 1.00 0.00 O ATOM 0 H GLY A 72 68.753 -5.666 -2.564 1.00 0.00 H new ATOM 0 HA2 GLY A 72 68.541 -6.222 -0.322 1.00 0.00 H new ATOM 0 HA3 GLY A 72 69.236 -7.801 -0.631 1.00 0.00 H new ATOM 996 N VAL A 73 71.413 -5.446 -0.988 1.00 0.00 N ATOM 997 CA VAL A 73 72.736 -4.951 -0.496 1.00 0.00 C ATOM 998 C VAL A 73 72.793 -3.417 -0.532 1.00 0.00 C ATOM 999 O VAL A 73 72.438 -2.811 -1.521 1.00 0.00 O ATOM 1000 CB VAL A 73 73.743 -5.527 -1.485 1.00 0.00 C ATOM 1001 CG1 VAL A 73 73.511 -7.031 -1.640 1.00 0.00 C ATOM 1002 CG2 VAL A 73 73.543 -4.841 -2.835 1.00 0.00 C ATOM 0 H VAL A 73 71.138 -5.104 -1.909 1.00 0.00 H new ATOM 0 HA VAL A 73 72.928 -5.250 0.534 1.00 0.00 H new ATOM 0 HB VAL A 73 74.757 -5.359 -1.123 1.00 0.00 H new ATOM 0 HG11 VAL A 73 74.232 -7.439 -2.348 1.00 0.00 H new ATOM 0 HG12 VAL A 73 73.634 -7.520 -0.673 1.00 0.00 H new ATOM 0 HG13 VAL A 73 72.501 -7.207 -2.010 1.00 0.00 H new ATOM 0 HG21 VAL A 73 74.256 -5.241 -3.556 1.00 0.00 H new ATOM 0 HG22 VAL A 73 72.528 -5.023 -3.189 1.00 0.00 H new ATOM 0 HG23 VAL A 73 73.702 -3.768 -2.725 1.00 0.00 H new ATOM 1012 N PRO A 74 73.253 -2.843 0.550 1.00 0.00 N ATOM 1013 CA PRO A 74 73.372 -1.368 0.640 1.00 0.00 C ATOM 1014 C PRO A 74 74.645 -0.886 -0.063 1.00 0.00 C ATOM 1015 O PRO A 74 75.619 -1.606 -0.166 1.00 0.00 O ATOM 1016 CB PRO A 74 73.468 -1.107 2.138 1.00 0.00 C ATOM 1017 CG PRO A 74 74.012 -2.373 2.730 1.00 0.00 C ATOM 1018 CD PRO A 74 73.695 -3.506 1.780 1.00 0.00 C ATOM 0 HA PRO A 74 72.540 -0.847 0.166 1.00 0.00 H new ATOM 0 HB2 PRO A 74 74.124 -0.262 2.348 1.00 0.00 H new ATOM 0 HB3 PRO A 74 72.492 -0.865 2.558 1.00 0.00 H new ATOM 0 HG2 PRO A 74 75.088 -2.292 2.881 1.00 0.00 H new ATOM 0 HG3 PRO A 74 73.567 -2.559 3.707 1.00 0.00 H new ATOM 0 HD2 PRO A 74 74.570 -4.130 1.601 1.00 0.00 H new ATOM 0 HD3 PRO A 74 72.917 -4.155 2.182 1.00 0.00 H new ATOM 1026 N ALA A 75 74.648 0.329 -0.536 1.00 0.00 N ATOM 1027 CA ALA A 75 75.861 0.862 -1.221 1.00 0.00 C ATOM 1028 C ALA A 75 76.706 1.672 -0.231 1.00 0.00 C ATOM 1029 O ALA A 75 76.227 2.069 0.812 1.00 0.00 O ATOM 1030 CB ALA A 75 75.326 1.763 -2.334 1.00 0.00 C ATOM 0 H ALA A 75 73.863 0.977 -0.478 1.00 0.00 H new ATOM 0 HA ALA A 75 76.499 0.070 -1.614 1.00 0.00 H new ATOM 0 HB1 ALA A 75 76.161 2.194 -2.886 1.00 0.00 H new ATOM 0 HB2 ALA A 75 74.708 1.175 -3.012 1.00 0.00 H new ATOM 0 HB3 ALA A 75 74.727 2.563 -1.898 1.00 0.00 H new ATOM 1036 N PRO A 76 77.939 1.887 -0.597 1.00 0.00 N ATOM 1037 CA PRO A 76 78.865 2.658 0.268 1.00 0.00 C ATOM 1038 C PRO A 76 78.513 4.149 0.239 1.00 0.00 C ATOM 1039 O PRO A 76 79.181 4.942 -0.392 1.00 0.00 O ATOM 1040 CB PRO A 76 80.233 2.411 -0.362 1.00 0.00 C ATOM 1041 CG PRO A 76 79.946 2.080 -1.794 1.00 0.00 C ATOM 1042 CD PRO A 76 78.582 1.439 -1.835 1.00 0.00 C ATOM 0 HA PRO A 76 78.821 2.357 1.315 1.00 0.00 H new ATOM 0 HB2 PRO A 76 80.870 3.292 -0.280 1.00 0.00 H new ATOM 0 HB3 PRO A 76 80.755 1.593 0.135 1.00 0.00 H new ATOM 0 HG2 PRO A 76 79.968 2.979 -2.409 1.00 0.00 H new ATOM 0 HG3 PRO A 76 80.702 1.403 -2.192 1.00 0.00 H new ATOM 0 HD2 PRO A 76 78.019 1.755 -2.713 1.00 0.00 H new ATOM 0 HD3 PRO A 76 78.653 0.352 -1.876 1.00 0.00 H new ATOM 1050 N SER A 77 77.468 4.534 0.920 1.00 0.00 N ATOM 1051 CA SER A 77 77.074 5.973 0.931 1.00 0.00 C ATOM 1052 C SER A 77 77.323 6.578 2.315 1.00 0.00 C ATOM 1053 O SER A 77 77.078 5.954 3.329 1.00 0.00 O ATOM 1054 CB SER A 77 75.582 5.979 0.604 1.00 0.00 C ATOM 1055 OG SER A 77 75.377 6.638 -0.639 1.00 0.00 O ATOM 0 H SER A 77 76.870 3.916 1.469 1.00 0.00 H new ATOM 0 HA SER A 77 77.649 6.564 0.218 1.00 0.00 H new ATOM 0 HB2 SER A 77 75.205 4.958 0.554 1.00 0.00 H new ATOM 0 HB3 SER A 77 75.027 6.486 1.393 1.00 0.00 H new ATOM 0 HG SER A 77 74.443 6.927 -0.706 1.00 0.00 H new ATOM 1061 N ALA A 78 77.807 7.789 2.365 1.00 0.00 N ATOM 1062 CA ALA A 78 78.071 8.433 3.684 1.00 0.00 C ATOM 1063 C ALA A 78 76.761 8.919 4.309 1.00 0.00 C ATOM 1064 O ALA A 78 76.630 9.003 5.515 1.00 0.00 O ATOM 1065 CB ALA A 78 78.985 9.618 3.367 1.00 0.00 C ATOM 0 H ALA A 78 78.031 8.360 1.550 1.00 0.00 H new ATOM 0 HA ALA A 78 78.525 7.744 4.397 1.00 0.00 H new ATOM 0 HB1 ALA A 78 79.227 10.147 4.289 1.00 0.00 H new ATOM 0 HB2 ALA A 78 79.903 9.256 2.904 1.00 0.00 H new ATOM 0 HB3 ALA A 78 78.477 10.296 2.682 1.00 0.00 H new ATOM 1071 N ALA A 79 75.788 9.239 3.500 1.00 0.00 N ATOM 1072 CA ALA A 79 74.487 9.719 4.049 1.00 0.00 C ATOM 1073 C ALA A 79 73.532 8.541 4.257 1.00 0.00 C ATOM 1074 O ALA A 79 72.430 8.701 4.745 1.00 0.00 O ATOM 1075 CB ALA A 79 73.937 10.675 2.990 1.00 0.00 C ATOM 0 H ALA A 79 75.837 9.189 2.482 1.00 0.00 H new ATOM 0 HA ALA A 79 74.603 10.207 5.017 1.00 0.00 H new ATOM 0 HB1 ALA A 79 72.977 11.072 3.321 1.00 0.00 H new ATOM 0 HB2 ALA A 79 74.638 11.497 2.842 1.00 0.00 H new ATOM 0 HB3 ALA A 79 73.803 10.139 2.050 1.00 0.00 H new ATOM 1081 N CYS A 80 73.943 7.359 3.889 1.00 0.00 N ATOM 1082 CA CYS A 80 73.055 6.175 4.068 1.00 0.00 C ATOM 1083 C CYS A 80 73.295 5.541 5.442 1.00 0.00 C ATOM 1084 O CYS A 80 74.391 5.564 5.967 1.00 0.00 O ATOM 1085 CB CYS A 80 73.436 5.218 2.933 1.00 0.00 C ATOM 1086 SG CYS A 80 72.844 3.551 3.311 1.00 0.00 S ATOM 0 H CYS A 80 74.853 7.162 3.473 1.00 0.00 H new ATOM 0 HA CYS A 80 71.997 6.433 4.030 1.00 0.00 H new ATOM 0 HB2 CYS A 80 73.004 5.563 1.994 1.00 0.00 H new ATOM 0 HB3 CYS A 80 74.518 5.208 2.801 1.00 0.00 H new ATOM 1091 N LYS A 81 72.268 4.990 6.035 1.00 0.00 N ATOM 1092 CA LYS A 81 72.422 4.372 7.381 1.00 0.00 C ATOM 1093 C LYS A 81 72.478 2.842 7.288 1.00 0.00 C ATOM 1094 O LYS A 81 72.668 2.276 6.232 1.00 0.00 O ATOM 1095 CB LYS A 81 71.181 4.847 8.161 1.00 0.00 C ATOM 1096 CG LYS A 81 70.044 3.806 8.117 1.00 0.00 C ATOM 1097 CD LYS A 81 69.810 3.313 6.681 1.00 0.00 C ATOM 1098 CE LYS A 81 69.563 1.806 6.694 1.00 0.00 C ATOM 1099 NZ LYS A 81 70.216 1.298 5.456 1.00 0.00 N ATOM 0 H LYS A 81 71.328 4.942 5.642 1.00 0.00 H new ATOM 0 HA LYS A 81 73.352 4.664 7.869 1.00 0.00 H new ATOM 0 HB2 LYS A 81 71.456 5.042 9.198 1.00 0.00 H new ATOM 0 HB3 LYS A 81 70.827 5.789 7.743 1.00 0.00 H new ATOM 0 HG2 LYS A 81 70.293 2.962 8.760 1.00 0.00 H new ATOM 0 HG3 LYS A 81 69.127 4.246 8.509 1.00 0.00 H new ATOM 0 HD2 LYS A 81 68.955 3.829 6.243 1.00 0.00 H new ATOM 0 HD3 LYS A 81 70.675 3.545 6.060 1.00 0.00 H new ATOM 0 HE2 LYS A 81 69.990 1.344 7.584 1.00 0.00 H new ATOM 0 HE3 LYS A 81 68.497 1.581 6.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 70.003 0.287 5.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 69.856 1.823 4.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 71.245 1.429 5.528 1.00 0.00 H new ATOM 1113 N ILE A 82 72.290 2.187 8.399 1.00 0.00 N ATOM 1114 CA ILE A 82 72.309 0.694 8.431 1.00 0.00 C ATOM 1115 C ILE A 82 72.159 0.227 9.890 1.00 0.00 C ATOM 1116 O ILE A 82 72.731 -0.760 10.308 1.00 0.00 O ATOM 1117 CB ILE A 82 73.670 0.297 7.816 1.00 0.00 C ATOM 1118 CG1 ILE A 82 73.476 -0.930 6.920 1.00 0.00 C ATOM 1119 CG2 ILE A 82 74.702 -0.023 8.905 1.00 0.00 C ATOM 1120 CD1 ILE A 82 72.627 -0.549 5.701 1.00 0.00 C ATOM 0 H ILE A 82 72.121 2.629 9.303 1.00 0.00 H new ATOM 0 HA ILE A 82 71.496 0.230 7.873 1.00 0.00 H new ATOM 0 HB ILE A 82 74.044 1.138 7.232 1.00 0.00 H new ATOM 0 HG12 ILE A 82 74.444 -1.313 6.596 1.00 0.00 H new ATOM 0 HG13 ILE A 82 72.989 -1.728 7.480 1.00 0.00 H new ATOM 0 HG21 ILE A 82 75.648 -0.299 8.440 1.00 0.00 H new ATOM 0 HG22 ILE A 82 74.849 0.854 9.536 1.00 0.00 H new ATOM 0 HG23 ILE A 82 74.342 -0.852 9.515 1.00 0.00 H new ATOM 0 HD11 ILE A 82 72.490 -1.424 5.065 1.00 0.00 H new ATOM 0 HD12 ILE A 82 71.654 -0.187 6.034 1.00 0.00 H new ATOM 0 HD13 ILE A 82 73.132 0.235 5.136 1.00 0.00 H new ATOM 1132 N SER A 83 71.395 0.952 10.664 1.00 0.00 N ATOM 1133 CA SER A 83 71.207 0.589 12.099 1.00 0.00 C ATOM 1134 C SER A 83 70.369 -0.688 12.253 1.00 0.00 C ATOM 1135 O SER A 83 70.870 -1.786 12.118 1.00 0.00 O ATOM 1136 CB SER A 83 70.482 1.788 12.710 1.00 0.00 C ATOM 1137 OG SER A 83 71.285 2.950 12.560 1.00 0.00 O ATOM 0 H SER A 83 70.890 1.785 10.361 1.00 0.00 H new ATOM 0 HA SER A 83 72.158 0.381 12.590 1.00 0.00 H new ATOM 0 HB2 SER A 83 69.519 1.932 12.221 1.00 0.00 H new ATOM 0 HB3 SER A 83 70.280 1.606 13.765 1.00 0.00 H new ATOM 0 HG SER A 83 70.821 3.721 12.950 1.00 0.00 H new ATOM 1143 N GLY A 84 69.104 -0.558 12.561 1.00 0.00 N ATOM 1144 CA GLY A 84 68.257 -1.769 12.751 1.00 0.00 C ATOM 1145 C GLY A 84 67.427 -2.049 11.500 1.00 0.00 C ATOM 1146 O GLY A 84 66.249 -1.756 11.447 1.00 0.00 O ATOM 0 H GLY A 84 68.624 0.333 12.688 1.00 0.00 H new ATOM 0 HA2 GLY A 84 68.888 -2.629 12.975 1.00 0.00 H new ATOM 0 HA3 GLY A 84 67.597 -1.627 13.607 1.00 0.00 H new ATOM 1150 N CYS A 85 68.023 -2.631 10.498 1.00 0.00 N ATOM 1151 CA CYS A 85 67.253 -2.949 9.265 1.00 0.00 C ATOM 1152 C CYS A 85 67.972 -4.060 8.494 1.00 0.00 C ATOM 1153 O CYS A 85 68.943 -4.616 8.964 1.00 0.00 O ATOM 1154 CB CYS A 85 67.226 -1.644 8.464 1.00 0.00 C ATOM 1155 SG CYS A 85 65.787 -1.576 7.346 1.00 0.00 S ATOM 0 H CYS A 85 69.007 -2.899 10.479 1.00 0.00 H new ATOM 0 HA CYS A 85 66.243 -3.304 9.471 1.00 0.00 H new ATOM 0 HB2 CYS A 85 67.197 -0.796 9.148 1.00 0.00 H new ATOM 0 HB3 CYS A 85 68.144 -1.553 7.883 1.00 0.00 H new ATOM 1160 N THR A 86 67.509 -4.393 7.321 1.00 0.00 N ATOM 1161 CA THR A 86 68.186 -5.475 6.548 1.00 0.00 C ATOM 1162 C THR A 86 67.498 -5.706 5.206 1.00 0.00 C ATOM 1163 O THR A 86 66.337 -5.399 5.024 1.00 0.00 O ATOM 1164 CB THR A 86 68.049 -6.730 7.408 1.00 0.00 C ATOM 1165 OG1 THR A 86 68.658 -7.826 6.737 1.00 0.00 O ATOM 1166 CG2 THR A 86 66.564 -7.034 7.638 1.00 0.00 C ATOM 0 H THR A 86 66.700 -3.969 6.867 1.00 0.00 H new ATOM 0 HA THR A 86 69.224 -5.216 6.338 1.00 0.00 H new ATOM 0 HB THR A 86 68.538 -6.570 8.369 1.00 0.00 H new ATOM 0 HG1 THR A 86 68.574 -8.633 7.286 1.00 0.00 H new ATOM 0 HG21 THR A 86 66.467 -7.930 8.252 1.00 0.00 H new ATOM 0 HG22 THR A 86 66.095 -6.192 8.148 1.00 0.00 H new ATOM 0 HG23 THR A 86 66.073 -7.197 6.679 1.00 0.00 H new ATOM 1174 N PHE A 87 68.209 -6.276 4.277 1.00 0.00 N ATOM 1175 CA PHE A 87 67.607 -6.569 2.944 1.00 0.00 C ATOM 1176 C PHE A 87 67.859 -8.040 2.605 1.00 0.00 C ATOM 1177 O PHE A 87 68.725 -8.674 3.175 1.00 0.00 O ATOM 1178 CB PHE A 87 68.317 -5.672 1.916 1.00 0.00 C ATOM 1179 CG PHE A 87 68.866 -4.418 2.557 1.00 0.00 C ATOM 1180 CD1 PHE A 87 68.071 -3.658 3.425 1.00 0.00 C ATOM 1181 CD2 PHE A 87 70.177 -4.015 2.276 1.00 0.00 C ATOM 1182 CE1 PHE A 87 68.589 -2.497 4.014 1.00 0.00 C ATOM 1183 CE2 PHE A 87 70.691 -2.855 2.862 1.00 0.00 C ATOM 1184 CZ PHE A 87 69.900 -2.097 3.733 1.00 0.00 C ATOM 0 H PHE A 87 69.185 -6.554 4.381 1.00 0.00 H new ATOM 0 HA PHE A 87 66.534 -6.380 2.940 1.00 0.00 H new ATOM 0 HB2 PHE A 87 69.129 -6.227 1.447 1.00 0.00 H new ATOM 0 HB3 PHE A 87 67.618 -5.401 1.125 1.00 0.00 H new ATOM 0 HD1 PHE A 87 67.059 -3.967 3.640 1.00 0.00 H new ATOM 0 HD2 PHE A 87 70.791 -4.600 1.607 1.00 0.00 H new ATOM 0 HE1 PHE A 87 67.977 -1.912 4.684 1.00 0.00 H new ATOM 0 HE2 PHE A 87 71.701 -2.543 2.642 1.00 0.00 H new ATOM 0 HZ PHE A 87 70.301 -1.204 4.188 1.00 0.00 H new ATOM 1194 N SER A 88 67.122 -8.591 1.685 1.00 0.00 N ATOM 1195 CA SER A 88 67.338 -10.020 1.320 1.00 0.00 C ATOM 1196 C SER A 88 67.092 -10.221 -0.175 1.00 0.00 C ATOM 1197 O SER A 88 66.986 -11.333 -0.653 1.00 0.00 O ATOM 1198 CB SER A 88 66.313 -10.800 2.143 1.00 0.00 C ATOM 1199 OG SER A 88 66.700 -12.167 2.202 1.00 0.00 O ATOM 0 H SER A 88 66.380 -8.117 1.170 1.00 0.00 H new ATOM 0 HA SER A 88 68.357 -10.351 1.523 1.00 0.00 H new ATOM 0 HB2 SER A 88 66.246 -10.385 3.149 1.00 0.00 H new ATOM 0 HB3 SER A 88 65.324 -10.709 1.694 1.00 0.00 H new ATOM 0 HG SER A 88 66.954 -12.474 1.307 1.00 0.00 H new ATOM 1205 N ALA A 89 66.991 -9.150 -0.917 1.00 0.00 N ATOM 1206 CA ALA A 89 66.741 -9.275 -2.381 1.00 0.00 C ATOM 1207 C ALA A 89 65.330 -9.822 -2.633 1.00 0.00 C ATOM 1208 O ALA A 89 64.956 -10.083 -3.756 1.00 0.00 O ATOM 1209 CB ALA A 89 67.797 -10.260 -2.880 1.00 0.00 C ATOM 0 H ALA A 89 67.071 -8.194 -0.571 1.00 0.00 H new ATOM 0 HA ALA A 89 66.805 -8.316 -2.895 1.00 0.00 H new ATOM 0 HB1 ALA A 89 67.680 -10.406 -3.954 1.00 0.00 H new ATOM 0 HB2 ALA A 89 68.791 -9.863 -2.674 1.00 0.00 H new ATOM 0 HB3 ALA A 89 67.675 -11.215 -2.368 1.00 0.00 H new ATOM 1215 N ASN A 90 64.558 -9.986 -1.582 1.00 0.00 N ATOM 1216 CA ASN A 90 63.159 -10.513 -1.696 1.00 0.00 C ATOM 1217 C ASN A 90 62.976 -11.413 -2.934 1.00 0.00 C ATOM 1218 O ASN A 90 62.960 -12.620 -2.753 1.00 0.00 O ATOM 1219 CB ASN A 90 62.264 -9.259 -1.728 1.00 0.00 C ATOM 1220 CG ASN A 90 62.105 -8.733 -3.155 1.00 0.00 C ATOM 1221 OD1 ASN A 90 61.110 -8.991 -3.804 1.00 0.00 O ATOM 1222 ND2 ASN A 90 63.050 -8.002 -3.677 1.00 0.00 N ATOM 1223 OXT ASN A 90 62.853 -10.898 -4.032 1.00 0.00 O ATOM 0 H ASN A 90 64.847 -9.771 -0.628 1.00 0.00 H new ATOM 0 HA ASN A 90 62.898 -11.163 -0.860 1.00 0.00 H new ATOM 0 HB2 ASN A 90 61.284 -9.497 -1.313 1.00 0.00 H new ATOM 0 HB3 ASN A 90 62.697 -8.483 -1.097 1.00 0.00 H new ATOM 0 HD21 ASN A 90 62.954 -7.648 -4.629 1.00 0.00 H new ATOM 0 HD22 ASN A 90 63.885 -7.785 -3.134 1.00 0.00 H new