USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 637 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 60 ASN : amide:sc= 0.603 K(o=0.62,f=-3.6!) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= 0.0218 USER MOD Set 2.1: A 36 MET CE :methyl -154:sc= -0.563 (180deg=-0.641) USER MOD Set 2.2: A 51 MET CE :methyl -150:sc= -2.3! (180deg=-3.59!) USER MOD Set 3.1: A 21 LYS NZ :NH3+ -178:sc= 1.26 (180deg=0.633) USER MOD Set 3.2: A 34 THR OG1 : rot -92:sc= 1.61 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 86:sc= 1.22 USER MOD Single : A 26 THR OG1 : rot 49:sc= 1.23 USER MOD Single : A 28 THR OG1 : rot 71:sc= 1.16 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.144 USER MOD Single : A 30 LYS NZ :NH3+ -161:sc= 1.3 (180deg=1.09) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -1.37 X(o=-1.4,f=-1.4) USER MOD Single : A 44 THR OG1 : rot -81:sc= 1.17 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 75:sc= 0.274 USER MOD Single : A 71 MET CE :methyl -138:sc= -3.46! (180deg=-3.63!) USER MOD Single : A 72 MET CE :methyl -169:sc= -0.188 (180deg=-0.617) USER MOD Single : B 290 ASN : amide:sc= 0 X(o=0,f=0.16) USER MOD Single : B 294 SER OG : rot 180:sc= 0 USER MOD Single : B 297 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 299 LYS NZ :NH3+ -119:sc= -0.396 (180deg=-1.77!) USER MOD Single : B 301 SER OG : rot 71:sc= 0.212 USER MOD Single : B 302 LYS NZ :NH3+ -134:sc= 0.978 (180deg=0.292) USER MOD Single : B 303 LYS NZ :NH3+ 169:sc= 2.43 (180deg=2.33) USER MOD Single : B 304 ASN : amide:sc= 0 X(o=0,f=-0.0055) USER MOD Single : B 305 SER OG : rot 70:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 151 N GLU A 11 7.846 -8.006 3.505 1.00 0.69 N ATOM 152 CA GLU A 11 7.162 -6.876 4.115 1.00 0.64 C ATOM 153 C GLU A 11 6.451 -6.047 3.053 1.00 0.63 C ATOM 154 O GLU A 11 5.500 -5.319 3.346 1.00 0.64 O ATOM 155 CB GLU A 11 8.151 -6.016 4.912 1.00 0.69 C ATOM 156 CG GLU A 11 7.751 -5.814 6.372 1.00 0.59 C ATOM 157 CD GLU A 11 6.452 -5.034 6.519 1.00 0.65 C ATOM 158 OE1 GLU A 11 6.488 -3.790 6.448 1.00 1.18 O ATOM 159 OE2 GLU A 11 5.380 -5.654 6.694 1.00 0.81 O ATOM 0 HA GLU A 11 6.411 -7.256 4.807 1.00 0.64 H new ATOM 0 HB2 GLU A 11 9.136 -6.482 4.875 1.00 0.69 H new ATOM 0 HB3 GLU A 11 8.241 -5.042 4.431 1.00 0.69 H new ATOM 0 HG2 GLU A 11 7.644 -6.786 6.854 1.00 0.59 H new ATOM 0 HG3 GLU A 11 8.549 -5.286 6.894 1.00 0.59 H new ATOM 166 N PHE A 12 6.904 -6.180 1.811 1.00 0.64 N ATOM 167 CA PHE A 12 6.297 -5.461 0.693 1.00 0.67 C ATOM 168 C PHE A 12 4.982 -6.126 0.296 1.00 0.66 C ATOM 169 O PHE A 12 4.041 -5.454 -0.114 1.00 0.68 O ATOM 170 CB PHE A 12 7.244 -5.398 -0.517 1.00 0.75 C ATOM 171 CG PHE A 12 8.418 -4.472 -0.333 1.00 0.76 C ATOM 172 CD1 PHE A 12 8.322 -3.342 0.467 1.00 0.98 C ATOM 173 CD2 PHE A 12 9.618 -4.731 -0.979 1.00 1.23 C ATOM 174 CE1 PHE A 12 9.402 -2.492 0.621 1.00 1.03 C ATOM 175 CE2 PHE A 12 10.702 -3.881 -0.826 1.00 1.27 C ATOM 176 CZ PHE A 12 10.596 -2.764 -0.028 1.00 0.88 C ATOM 0 H PHE A 12 7.689 -6.778 1.552 1.00 0.64 H new ATOM 0 HA PHE A 12 6.102 -4.439 1.018 1.00 0.67 H new ATOM 0 HB2 PHE A 12 7.616 -6.401 -0.726 1.00 0.75 H new ATOM 0 HB3 PHE A 12 6.677 -5.079 -1.392 1.00 0.75 H new ATOM 0 HD1 PHE A 12 7.394 -3.124 0.975 1.00 0.98 H new ATOM 0 HD2 PHE A 12 9.709 -5.604 -1.608 1.00 1.23 H new ATOM 0 HE1 PHE A 12 9.315 -1.616 1.247 1.00 1.03 H new ATOM 0 HE2 PHE A 12 11.631 -4.095 -1.333 1.00 1.27 H new ATOM 0 HZ PHE A 12 11.441 -2.102 0.092 1.00 0.88 H new ATOM 186 N LYS A 13 4.917 -7.446 0.463 1.00 0.65 N ATOM 187 CA LYS A 13 3.717 -8.220 0.126 1.00 0.66 C ATOM 188 C LYS A 13 2.602 -7.953 1.135 1.00 0.61 C ATOM 189 O LYS A 13 1.429 -8.244 0.883 1.00 0.66 O ATOM 190 CB LYS A 13 4.054 -9.722 0.089 1.00 0.71 C ATOM 191 CG LYS A 13 4.981 -10.090 -1.058 1.00 0.80 C ATOM 192 CD LYS A 13 5.449 -11.534 -0.995 1.00 0.86 C ATOM 193 CE LYS A 13 6.308 -11.882 -2.205 1.00 0.97 C ATOM 194 NZ LYS A 13 6.792 -13.297 -2.175 1.00 0.99 N ATOM 0 H LYS A 13 5.685 -8.007 0.832 1.00 0.65 H new ATOM 0 HA LYS A 13 3.368 -7.910 -0.859 1.00 0.66 H new ATOM 0 HB2 LYS A 13 4.519 -10.009 1.032 1.00 0.71 H new ATOM 0 HB3 LYS A 13 3.131 -10.295 0.002 1.00 0.71 H new ATOM 0 HG2 LYS A 13 4.467 -9.920 -2.004 1.00 0.80 H new ATOM 0 HG3 LYS A 13 5.849 -9.430 -1.044 1.00 0.80 H new ATOM 0 HD2 LYS A 13 6.020 -11.696 -0.081 1.00 0.86 H new ATOM 0 HD3 LYS A 13 4.586 -12.198 -0.954 1.00 0.86 H new ATOM 0 HE2 LYS A 13 5.731 -11.718 -3.115 1.00 0.97 H new ATOM 0 HE3 LYS A 13 7.165 -11.209 -2.244 1.00 0.97 H new ATOM 0 HZ1 LYS A 13 7.371 -13.484 -3.018 1.00 0.99 H new ATOM 0 HZ2 LYS A 13 7.365 -13.450 -1.321 1.00 0.99 H new ATOM 0 HZ3 LYS A 13 5.977 -13.943 -2.165 1.00 0.99 H new ATOM 208 N GLU A 14 2.972 -7.368 2.266 1.00 0.57 N ATOM 209 CA GLU A 14 2.016 -7.058 3.320 1.00 0.54 C ATOM 210 C GLU A 14 1.130 -5.891 2.906 1.00 0.50 C ATOM 211 O GLU A 14 -0.002 -5.759 3.366 1.00 0.49 O ATOM 212 CB GLU A 14 2.730 -6.710 4.624 1.00 0.52 C ATOM 213 CG GLU A 14 1.988 -7.159 5.861 1.00 0.54 C ATOM 214 CD GLU A 14 1.819 -8.653 5.932 1.00 0.62 C ATOM 215 OE1 GLU A 14 0.861 -9.177 5.340 1.00 1.29 O ATOM 216 OE2 GLU A 14 2.665 -9.313 6.574 1.00 1.28 O ATOM 0 H GLU A 14 3.932 -7.097 2.478 1.00 0.57 H new ATOM 0 HA GLU A 14 1.401 -7.944 3.480 1.00 0.54 H new ATOM 0 HB2 GLU A 14 3.720 -7.167 4.619 1.00 0.52 H new ATOM 0 HB3 GLU A 14 2.877 -5.631 4.671 1.00 0.52 H new ATOM 0 HG2 GLU A 14 2.525 -6.817 6.745 1.00 0.54 H new ATOM 0 HG3 GLU A 14 1.006 -6.686 5.882 1.00 0.54 H new ATOM 223 N ALA A 15 1.650 -5.045 2.023 1.00 0.51 N ATOM 224 CA ALA A 15 0.907 -3.882 1.574 1.00 0.52 C ATOM 225 C ALA A 15 -0.318 -4.302 0.758 1.00 0.50 C ATOM 226 O ALA A 15 -1.417 -3.787 0.953 1.00 0.51 O ATOM 227 CB ALA A 15 1.806 -2.971 0.757 1.00 0.58 C ATOM 0 H ALA A 15 2.577 -5.145 1.609 1.00 0.51 H new ATOM 0 HA ALA A 15 0.558 -3.335 2.450 1.00 0.52 H new ATOM 0 HB1 ALA A 15 1.238 -2.102 0.425 1.00 0.58 H new ATOM 0 HB2 ALA A 15 2.646 -2.644 1.370 1.00 0.58 H new ATOM 0 HB3 ALA A 15 2.180 -3.513 -0.112 1.00 0.58 H new ATOM 233 N PHE A 16 -0.134 -5.271 -0.119 1.00 0.50 N ATOM 234 CA PHE A 16 -1.221 -5.744 -0.961 1.00 0.53 C ATOM 235 C PHE A 16 -2.118 -6.722 -0.196 1.00 0.56 C ATOM 236 O PHE A 16 -3.024 -7.315 -0.769 1.00 0.74 O ATOM 237 CB PHE A 16 -0.667 -6.440 -2.214 1.00 0.60 C ATOM 238 CG PHE A 16 0.513 -5.743 -2.836 1.00 0.64 C ATOM 239 CD1 PHE A 16 0.329 -4.676 -3.692 1.00 0.78 C ATOM 240 CD2 PHE A 16 1.805 -6.167 -2.573 1.00 0.87 C ATOM 241 CE1 PHE A 16 1.406 -4.038 -4.272 1.00 0.90 C ATOM 242 CE2 PHE A 16 2.892 -5.535 -3.153 1.00 0.98 C ATOM 243 CZ PHE A 16 2.689 -4.466 -4.002 1.00 0.91 C ATOM 0 H PHE A 16 0.756 -5.747 -0.268 1.00 0.50 H new ATOM 0 HA PHE A 16 -1.812 -4.878 -1.259 1.00 0.53 H new ATOM 0 HB2 PHE A 16 -0.377 -7.458 -1.952 1.00 0.60 H new ATOM 0 HB3 PHE A 16 -1.462 -6.516 -2.956 1.00 0.60 H new ATOM 0 HD1 PHE A 16 -0.672 -4.336 -3.911 1.00 0.78 H new ATOM 0 HD2 PHE A 16 1.967 -7.002 -1.907 1.00 0.87 H new ATOM 0 HE1 PHE A 16 1.244 -3.203 -4.938 1.00 0.90 H new ATOM 0 HE2 PHE A 16 3.894 -5.877 -2.942 1.00 0.98 H new ATOM 0 HZ PHE A 16 3.533 -3.966 -4.454 1.00 0.91 H new ATOM 253 N SER A 17 -1.839 -6.887 1.092 1.00 0.49 N ATOM 254 CA SER A 17 -2.607 -7.798 1.937 1.00 0.54 C ATOM 255 C SER A 17 -3.411 -7.056 2.995 1.00 0.51 C ATOM 256 O SER A 17 -4.554 -7.423 3.275 1.00 0.59 O ATOM 257 CB SER A 17 -1.662 -8.777 2.633 1.00 0.62 C ATOM 258 OG SER A 17 -0.898 -9.495 1.689 1.00 0.73 O ATOM 0 H SER A 17 -1.084 -6.401 1.576 1.00 0.49 H new ATOM 0 HA SER A 17 -3.304 -8.331 1.290 1.00 0.54 H new ATOM 0 HB2 SER A 17 -0.999 -8.233 3.306 1.00 0.62 H new ATOM 0 HB3 SER A 17 -2.237 -9.471 3.245 1.00 0.62 H new ATOM 0 HG SER A 17 -0.096 -8.981 1.459 1.00 0.73 H new ATOM 264 N LEU A 18 -2.808 -6.036 3.603 1.00 0.44 N ATOM 265 CA LEU A 18 -3.486 -5.270 4.652 1.00 0.42 C ATOM 266 C LEU A 18 -3.984 -3.921 4.156 1.00 0.41 C ATOM 267 O LEU A 18 -5.105 -3.515 4.464 1.00 0.46 O ATOM 268 CB LEU A 18 -2.549 -5.052 5.839 1.00 0.42 C ATOM 269 CG LEU A 18 -1.759 -6.271 6.269 1.00 0.45 C ATOM 270 CD1 LEU A 18 -0.765 -5.899 7.371 1.00 0.47 C ATOM 271 CD2 LEU A 18 -2.699 -7.387 6.709 1.00 0.55 C ATOM 0 H LEU A 18 -1.861 -5.722 3.392 1.00 0.44 H new ATOM 0 HA LEU A 18 -4.352 -5.856 4.959 1.00 0.42 H new ATOM 0 HB2 LEU A 18 -1.849 -4.255 5.587 1.00 0.42 H new ATOM 0 HB3 LEU A 18 -3.138 -4.703 6.687 1.00 0.42 H new ATOM 0 HG LEU A 18 -1.186 -6.641 5.419 1.00 0.45 H new ATOM 0 HD11 LEU A 18 -0.205 -6.785 7.670 1.00 0.47 H new ATOM 0 HD12 LEU A 18 -0.075 -5.142 6.998 1.00 0.47 H new ATOM 0 HD13 LEU A 18 -1.306 -5.505 8.231 1.00 0.47 H new ATOM 0 HD21 LEU A 18 -2.115 -8.255 7.015 1.00 0.55 H new ATOM 0 HD22 LEU A 18 -3.304 -7.043 7.548 1.00 0.55 H new ATOM 0 HD23 LEU A 18 -3.351 -7.662 5.880 1.00 0.55 H new ATOM 283 N PHE A 19 -3.150 -3.215 3.401 1.00 0.43 N ATOM 284 CA PHE A 19 -3.518 -1.903 2.880 1.00 0.47 C ATOM 285 C PHE A 19 -4.720 -2.019 1.942 1.00 0.48 C ATOM 286 O PHE A 19 -5.569 -1.122 1.873 1.00 0.61 O ATOM 287 CB PHE A 19 -2.320 -1.269 2.162 1.00 0.52 C ATOM 288 CG PHE A 19 -2.599 0.076 1.555 1.00 0.39 C ATOM 289 CD1 PHE A 19 -2.516 1.238 2.315 1.00 0.58 C ATOM 290 CD2 PHE A 19 -2.949 0.181 0.221 1.00 0.50 C ATOM 291 CE1 PHE A 19 -2.775 2.469 1.748 1.00 0.75 C ATOM 292 CE2 PHE A 19 -3.210 1.410 -0.349 1.00 0.70 C ATOM 293 CZ PHE A 19 -3.119 2.557 0.416 1.00 0.79 C ATOM 0 H PHE A 19 -2.216 -3.528 3.136 1.00 0.43 H new ATOM 0 HA PHE A 19 -3.802 -1.258 3.712 1.00 0.47 H new ATOM 0 HB2 PHE A 19 -1.498 -1.170 2.871 1.00 0.52 H new ATOM 0 HB3 PHE A 19 -1.984 -1.946 1.376 1.00 0.52 H new ATOM 0 HD1 PHE A 19 -2.246 1.176 3.359 1.00 0.58 H new ATOM 0 HD2 PHE A 19 -3.019 -0.712 -0.383 1.00 0.50 H new ATOM 0 HE1 PHE A 19 -2.708 3.364 2.348 1.00 0.75 H new ATOM 0 HE2 PHE A 19 -3.485 1.475 -1.391 1.00 0.70 H new ATOM 0 HZ PHE A 19 -3.317 3.521 -0.029 1.00 0.79 H new ATOM 303 N ASP A 20 -4.780 -3.128 1.220 1.00 0.44 N ATOM 304 CA ASP A 20 -5.883 -3.398 0.301 1.00 0.45 C ATOM 305 C ASP A 20 -6.956 -4.227 0.998 1.00 0.51 C ATOM 306 O ASP A 20 -6.642 -5.165 1.727 1.00 0.58 O ATOM 307 CB ASP A 20 -5.390 -4.136 -0.949 1.00 0.45 C ATOM 308 CG ASP A 20 -6.491 -4.303 -1.985 1.00 0.46 C ATOM 309 OD1 ASP A 20 -6.916 -3.284 -2.564 1.00 0.58 O ATOM 310 OD2 ASP A 20 -6.945 -5.440 -2.227 1.00 0.59 O ATOM 0 H ASP A 20 -4.073 -3.863 1.252 1.00 0.44 H new ATOM 0 HA ASP A 20 -6.307 -2.442 -0.007 1.00 0.45 H new ATOM 0 HB2 ASP A 20 -4.558 -3.586 -1.390 1.00 0.45 H new ATOM 0 HB3 ASP A 20 -5.009 -5.117 -0.664 1.00 0.45 H new ATOM 315 N LYS A 21 -8.221 -3.902 0.768 1.00 0.58 N ATOM 316 CA LYS A 21 -9.324 -4.618 1.401 1.00 0.71 C ATOM 317 C LYS A 21 -10.292 -5.159 0.359 1.00 0.68 C ATOM 318 O LYS A 21 -11.497 -5.227 0.598 1.00 0.86 O ATOM 319 CB LYS A 21 -10.105 -3.708 2.351 1.00 0.82 C ATOM 320 CG LYS A 21 -9.247 -2.909 3.321 1.00 1.05 C ATOM 321 CD LYS A 21 -8.822 -1.576 2.732 1.00 1.10 C ATOM 322 CE LYS A 21 -8.055 -0.735 3.741 1.00 1.41 C ATOM 323 NZ LYS A 21 -7.527 0.506 3.114 1.00 1.57 N ATOM 0 H LYS A 21 -8.511 -3.146 0.147 1.00 0.58 H new ATOM 0 HA LYS A 21 -8.883 -5.442 1.962 1.00 0.71 H new ATOM 0 HB2 LYS A 21 -10.701 -3.014 1.758 1.00 0.82 H new ATOM 0 HB3 LYS A 21 -10.803 -4.318 2.924 1.00 0.82 H new ATOM 0 HG2 LYS A 21 -9.803 -2.738 4.243 1.00 1.05 H new ATOM 0 HG3 LYS A 21 -8.362 -3.488 3.586 1.00 1.05 H new ATOM 0 HD2 LYS A 21 -8.200 -1.748 1.854 1.00 1.10 H new ATOM 0 HD3 LYS A 21 -9.703 -1.029 2.397 1.00 1.10 H new ATOM 0 HE2 LYS A 21 -8.708 -0.475 4.574 1.00 1.41 H new ATOM 0 HE3 LYS A 21 -7.230 -1.317 4.152 1.00 1.41 H new ATOM 0 HZ1 LYS A 21 -6.980 1.044 3.816 1.00 1.57 H new ATOM 0 HZ2 LYS A 21 -6.912 0.256 2.313 1.00 1.57 H new ATOM 0 HZ3 LYS A 21 -8.319 1.087 2.774 1.00 1.57 H new ATOM 337 N ASP A 22 -9.779 -5.524 -0.798 1.00 0.58 N ATOM 338 CA ASP A 22 -10.635 -6.038 -1.862 1.00 0.61 C ATOM 339 C ASP A 22 -10.072 -7.323 -2.448 1.00 0.69 C ATOM 340 O ASP A 22 -10.821 -8.193 -2.903 1.00 0.82 O ATOM 341 CB ASP A 22 -10.812 -5.008 -2.983 1.00 0.55 C ATOM 342 CG ASP A 22 -10.678 -3.573 -2.514 1.00 0.52 C ATOM 343 OD1 ASP A 22 -11.690 -2.988 -2.075 1.00 0.60 O ATOM 344 OD2 ASP A 22 -9.551 -3.019 -2.589 1.00 0.55 O ATOM 0 H ASP A 22 -8.787 -5.478 -1.030 1.00 0.58 H new ATOM 0 HA ASP A 22 -11.607 -6.245 -1.414 1.00 0.61 H new ATOM 0 HB2 ASP A 22 -10.072 -5.198 -3.760 1.00 0.55 H new ATOM 0 HB3 ASP A 22 -11.793 -5.143 -3.438 1.00 0.55 H new ATOM 349 N GLY A 23 -8.748 -7.436 -2.441 1.00 0.65 N ATOM 350 CA GLY A 23 -8.088 -8.609 -2.987 1.00 0.73 C ATOM 351 C GLY A 23 -7.530 -8.327 -4.356 1.00 0.71 C ATOM 352 O GLY A 23 -7.249 -9.242 -5.128 1.00 0.87 O ATOM 0 H GLY A 23 -8.115 -6.730 -2.064 1.00 0.65 H new ATOM 0 HA2 GLY A 23 -7.284 -8.922 -2.320 1.00 0.73 H new ATOM 0 HA3 GLY A 23 -8.796 -9.436 -3.042 1.00 0.73 H new ATOM 356 N ASP A 24 -7.380 -7.041 -4.654 1.00 0.59 N ATOM 357 CA ASP A 24 -6.863 -6.611 -5.946 1.00 0.60 C ATOM 358 C ASP A 24 -5.370 -6.312 -5.854 1.00 0.59 C ATOM 359 O ASP A 24 -4.624 -6.516 -6.817 1.00 0.74 O ATOM 360 CB ASP A 24 -7.628 -5.383 -6.459 1.00 0.58 C ATOM 361 CG ASP A 24 -7.554 -4.194 -5.526 1.00 0.48 C ATOM 362 OD1 ASP A 24 -6.530 -3.504 -5.497 1.00 0.74 O ATOM 363 OD2 ASP A 24 -8.532 -3.932 -4.807 1.00 0.61 O ATOM 0 H ASP A 24 -7.610 -6.278 -4.017 1.00 0.59 H new ATOM 0 HA ASP A 24 -7.009 -7.424 -6.657 1.00 0.60 H new ATOM 0 HB2 ASP A 24 -7.229 -5.097 -7.432 1.00 0.58 H new ATOM 0 HB3 ASP A 24 -8.673 -5.653 -6.609 1.00 0.58 H new ATOM 368 N GLY A 25 -4.944 -5.837 -4.685 1.00 0.54 N ATOM 369 CA GLY A 25 -3.541 -5.533 -4.470 1.00 0.64 C ATOM 370 C GLY A 25 -3.046 -4.333 -5.265 1.00 0.69 C ATOM 371 O GLY A 25 -1.887 -4.300 -5.681 1.00 1.30 O ATOM 0 H GLY A 25 -5.548 -5.658 -3.883 1.00 0.54 H new ATOM 0 HA2 GLY A 25 -3.377 -5.347 -3.409 1.00 0.64 H new ATOM 0 HA3 GLY A 25 -2.944 -6.405 -4.737 1.00 0.64 H new ATOM 375 N THR A 26 -3.903 -3.360 -5.513 1.00 0.46 N ATOM 376 CA THR A 26 -3.498 -2.172 -6.252 1.00 0.48 C ATOM 377 C THR A 26 -3.844 -0.913 -5.475 1.00 0.46 C ATOM 378 O THR A 26 -4.924 -0.818 -4.896 1.00 0.63 O ATOM 379 CB THR A 26 -4.142 -2.115 -7.648 1.00 0.53 C ATOM 380 OG1 THR A 26 -5.228 -3.051 -7.740 1.00 0.66 O ATOM 381 CG2 THR A 26 -3.123 -2.416 -8.746 1.00 0.66 C ATOM 0 H THR A 26 -4.879 -3.365 -5.217 1.00 0.46 H new ATOM 0 HA THR A 26 -2.417 -2.230 -6.382 1.00 0.48 H new ATOM 0 HB THR A 26 -4.519 -1.102 -7.791 1.00 0.53 H new ATOM 0 HG1 THR A 26 -5.818 -2.945 -6.964 1.00 0.66 H new ATOM 0 HG21 THR A 26 -3.612 -2.367 -9.719 1.00 0.66 H new ATOM 0 HG22 THR A 26 -2.318 -1.682 -8.707 1.00 0.66 H new ATOM 0 HG23 THR A 26 -2.711 -3.414 -8.596 1.00 0.66 H new ATOM 389 N ILE A 27 -2.937 0.062 -5.459 1.00 0.37 N ATOM 390 CA ILE A 27 -3.168 1.291 -4.716 1.00 0.36 C ATOM 391 C ILE A 27 -4.034 2.262 -5.511 1.00 0.32 C ATOM 392 O ILE A 27 -3.625 2.769 -6.561 1.00 0.37 O ATOM 393 CB ILE A 27 -1.844 1.979 -4.311 1.00 0.40 C ATOM 394 CG1 ILE A 27 -0.925 0.987 -3.588 1.00 0.46 C ATOM 395 CG2 ILE A 27 -2.122 3.187 -3.415 1.00 0.42 C ATOM 396 CD1 ILE A 27 0.361 1.605 -3.093 1.00 0.50 C ATOM 0 H ILE A 27 -2.043 0.022 -5.949 1.00 0.37 H new ATOM 0 HA ILE A 27 -3.697 1.011 -3.805 1.00 0.36 H new ATOM 0 HB ILE A 27 -1.344 2.323 -5.217 1.00 0.40 H new ATOM 0 HG12 ILE A 27 -1.462 0.558 -2.742 1.00 0.46 H new ATOM 0 HG13 ILE A 27 -0.687 0.166 -4.264 1.00 0.46 H new ATOM 0 HG21 ILE A 27 -1.179 3.660 -3.139 1.00 0.42 H new ATOM 0 HG22 ILE A 27 -2.744 3.903 -3.952 1.00 0.42 H new ATOM 0 HG23 ILE A 27 -2.641 2.860 -2.514 1.00 0.42 H new ATOM 0 HD11 ILE A 27 0.961 0.845 -2.592 1.00 0.50 H new ATOM 0 HD12 ILE A 27 0.919 2.009 -3.938 1.00 0.50 H new ATOM 0 HD13 ILE A 27 0.133 2.407 -2.392 1.00 0.50 H new ATOM 408 N THR A 28 -5.248 2.466 -5.026 1.00 0.28 N ATOM 409 CA THR A 28 -6.180 3.384 -5.646 1.00 0.28 C ATOM 410 C THR A 28 -6.709 4.353 -4.594 1.00 0.27 C ATOM 411 O THR A 28 -6.475 4.169 -3.392 1.00 0.29 O ATOM 412 CB THR A 28 -7.353 2.641 -6.308 1.00 0.32 C ATOM 413 OG1 THR A 28 -7.122 1.228 -6.279 1.00 0.73 O ATOM 414 CG2 THR A 28 -7.554 3.099 -7.747 1.00 0.77 C ATOM 0 H THR A 28 -5.611 2.000 -4.194 1.00 0.28 H new ATOM 0 HA THR A 28 -5.651 3.931 -6.427 1.00 0.28 H new ATOM 0 HB THR A 28 -8.257 2.873 -5.744 1.00 0.32 H new ATOM 0 HG1 THR A 28 -7.210 0.901 -5.359 1.00 0.73 H new ATOM 0 HG21 THR A 28 -8.390 2.556 -8.188 1.00 0.77 H new ATOM 0 HG22 THR A 28 -7.767 4.168 -7.762 1.00 0.77 H new ATOM 0 HG23 THR A 28 -6.649 2.901 -8.322 1.00 0.77 H new ATOM 422 N THR A 29 -7.414 5.376 -5.038 1.00 0.29 N ATOM 423 CA THR A 29 -7.967 6.372 -4.138 1.00 0.33 C ATOM 424 C THR A 29 -8.839 5.744 -3.043 1.00 0.31 C ATOM 425 O THR A 29 -8.901 6.238 -1.914 1.00 0.32 O ATOM 426 CB THR A 29 -8.789 7.385 -4.945 1.00 0.40 C ATOM 427 OG1 THR A 29 -8.486 7.228 -6.338 1.00 0.48 O ATOM 428 CG2 THR A 29 -8.481 8.807 -4.512 1.00 0.59 C ATOM 0 H THR A 29 -7.619 5.540 -6.024 1.00 0.29 H new ATOM 0 HA THR A 29 -7.136 6.872 -3.641 1.00 0.33 H new ATOM 0 HB THR A 29 -9.848 7.199 -4.767 1.00 0.40 H new ATOM 0 HG1 THR A 29 -9.009 7.871 -6.861 1.00 0.48 H new ATOM 0 HG21 THR A 29 -9.078 9.504 -5.101 1.00 0.59 H new ATOM 0 HG22 THR A 29 -8.722 8.926 -3.456 1.00 0.59 H new ATOM 0 HG23 THR A 29 -7.422 9.014 -4.669 1.00 0.59 H new ATOM 436 N LYS A 30 -9.502 4.629 -3.373 1.00 0.31 N ATOM 437 CA LYS A 30 -10.368 3.939 -2.438 1.00 0.33 C ATOM 438 C LYS A 30 -9.609 3.428 -1.219 1.00 0.33 C ATOM 439 O LYS A 30 -10.039 3.606 -0.075 1.00 0.38 O ATOM 440 CB LYS A 30 -11.041 2.752 -3.138 1.00 0.36 C ATOM 441 CG LYS A 30 -12.114 2.107 -2.285 1.00 0.38 C ATOM 442 CD LYS A 30 -12.372 0.667 -2.679 1.00 0.43 C ATOM 443 CE LYS A 30 -13.402 0.028 -1.749 1.00 0.51 C ATOM 444 NZ LYS A 30 -13.754 -1.348 -2.168 1.00 0.56 N ATOM 0 H LYS A 30 -9.447 4.190 -4.292 1.00 0.31 H new ATOM 0 HA LYS A 30 -11.113 4.657 -2.096 1.00 0.33 H new ATOM 0 HB2 LYS A 30 -11.482 3.090 -4.076 1.00 0.36 H new ATOM 0 HB3 LYS A 30 -10.286 2.008 -3.390 1.00 0.36 H new ATOM 0 HG2 LYS A 30 -11.815 2.147 -1.237 1.00 0.38 H new ATOM 0 HG3 LYS A 30 -13.038 2.677 -2.375 1.00 0.38 H new ATOM 0 HD2 LYS A 30 -12.729 0.625 -3.708 1.00 0.43 H new ATOM 0 HD3 LYS A 30 -11.441 0.102 -2.641 1.00 0.43 H new ATOM 0 HE2 LYS A 30 -13.008 0.007 -0.733 1.00 0.51 H new ATOM 0 HE3 LYS A 30 -14.302 0.642 -1.730 1.00 0.51 H new ATOM 0 HZ1 LYS A 30 -14.657 -1.623 -1.732 1.00 0.56 H new ATOM 0 HZ2 LYS A 30 -13.844 -1.383 -3.203 1.00 0.56 H new ATOM 0 HZ3 LYS A 30 -13.008 -2.005 -1.863 1.00 0.56 H new ATOM 458 N GLU A 31 -8.467 2.818 -1.466 1.00 0.31 N ATOM 459 CA GLU A 31 -7.656 2.247 -0.403 1.00 0.35 C ATOM 460 C GLU A 31 -6.854 3.320 0.311 1.00 0.34 C ATOM 461 O GLU A 31 -6.420 3.135 1.448 1.00 0.39 O ATOM 462 CB GLU A 31 -6.714 1.205 -0.989 1.00 0.37 C ATOM 463 CG GLU A 31 -7.434 -0.019 -1.522 1.00 0.41 C ATOM 464 CD GLU A 31 -7.691 0.051 -3.011 1.00 0.35 C ATOM 465 OE1 GLU A 31 -7.526 1.135 -3.601 1.00 0.87 O ATOM 466 OE2 GLU A 31 -8.067 -0.992 -3.592 1.00 0.86 O ATOM 0 H GLU A 31 -8.075 2.703 -2.401 1.00 0.31 H new ATOM 0 HA GLU A 31 -8.320 1.780 0.324 1.00 0.35 H new ATOM 0 HB2 GLU A 31 -6.137 1.659 -1.795 1.00 0.37 H new ATOM 0 HB3 GLU A 31 -6.003 0.895 -0.223 1.00 0.37 H new ATOM 0 HG2 GLU A 31 -6.842 -0.907 -1.302 1.00 0.41 H new ATOM 0 HG3 GLU A 31 -8.384 -0.132 -0.999 1.00 0.41 H new ATOM 473 N LEU A 32 -6.672 4.438 -0.368 1.00 0.31 N ATOM 474 CA LEU A 32 -5.921 5.558 0.163 1.00 0.33 C ATOM 475 C LEU A 32 -6.786 6.379 1.128 1.00 0.35 C ATOM 476 O LEU A 32 -6.369 6.704 2.243 1.00 0.47 O ATOM 477 CB LEU A 32 -5.434 6.436 -0.996 1.00 0.34 C ATOM 478 CG LEU A 32 -4.396 7.505 -0.647 1.00 0.37 C ATOM 479 CD1 LEU A 32 -3.066 6.876 -0.239 1.00 0.36 C ATOM 480 CD2 LEU A 32 -4.208 8.441 -1.829 1.00 0.43 C ATOM 0 H LEU A 32 -7.042 4.594 -1.306 1.00 0.31 H new ATOM 0 HA LEU A 32 -5.061 5.181 0.718 1.00 0.33 H new ATOM 0 HB2 LEU A 32 -5.012 5.787 -1.763 1.00 0.34 H new ATOM 0 HB3 LEU A 32 -6.299 6.930 -1.438 1.00 0.34 H new ATOM 0 HG LEU A 32 -4.762 8.076 0.206 1.00 0.37 H new ATOM 0 HD11 LEU A 32 -2.351 7.662 0.002 1.00 0.36 H new ATOM 0 HD12 LEU A 32 -3.216 6.241 0.634 1.00 0.36 H new ATOM 0 HD13 LEU A 32 -2.680 6.275 -1.062 1.00 0.36 H new ATOM 0 HD21 LEU A 32 -3.468 9.201 -1.577 1.00 0.43 H new ATOM 0 HD22 LEU A 32 -3.864 7.872 -2.693 1.00 0.43 H new ATOM 0 HD23 LEU A 32 -5.157 8.923 -2.066 1.00 0.43 H new ATOM 492 N GLY A 33 -8.001 6.679 0.689 1.00 0.30 N ATOM 493 CA GLY A 33 -8.915 7.467 1.502 1.00 0.33 C ATOM 494 C GLY A 33 -9.429 6.724 2.714 1.00 0.34 C ATOM 495 O GLY A 33 -9.600 7.315 3.781 1.00 0.36 O ATOM 0 H GLY A 33 -8.373 6.392 -0.216 1.00 0.30 H new ATOM 0 HA2 GLY A 33 -8.409 8.375 1.829 1.00 0.33 H new ATOM 0 HA3 GLY A 33 -9.761 7.777 0.889 1.00 0.33 H new ATOM 499 N THR A 34 -9.677 5.432 2.566 1.00 0.36 N ATOM 500 CA THR A 34 -10.175 4.618 3.667 1.00 0.39 C ATOM 501 C THR A 34 -9.237 4.666 4.886 1.00 0.40 C ATOM 502 O THR A 34 -9.688 4.515 6.020 1.00 0.46 O ATOM 503 CB THR A 34 -10.383 3.146 3.242 1.00 0.43 C ATOM 504 OG1 THR A 34 -9.322 2.716 2.378 1.00 0.42 O ATOM 505 CG2 THR A 34 -11.715 2.960 2.531 1.00 0.47 C ATOM 0 H THR A 34 -9.542 4.922 1.693 1.00 0.36 H new ATOM 0 HA THR A 34 -11.138 5.045 3.948 1.00 0.39 H new ATOM 0 HB THR A 34 -10.382 2.541 4.149 1.00 0.43 H new ATOM 0 HG1 THR A 34 -9.576 2.874 1.445 1.00 0.42 H new ATOM 0 HG21 THR A 34 -11.832 1.915 2.245 1.00 0.47 H new ATOM 0 HG22 THR A 34 -12.527 3.246 3.199 1.00 0.47 H new ATOM 0 HG23 THR A 34 -11.742 3.586 1.639 1.00 0.47 H new ATOM 513 N VAL A 35 -7.939 4.888 4.657 1.00 0.40 N ATOM 514 CA VAL A 35 -6.987 4.961 5.758 1.00 0.43 C ATOM 515 C VAL A 35 -7.090 6.305 6.468 1.00 0.40 C ATOM 516 O VAL A 35 -7.320 6.357 7.679 1.00 0.42 O ATOM 517 CB VAL A 35 -5.534 4.744 5.276 1.00 0.51 C ATOM 518 CG1 VAL A 35 -4.549 4.898 6.418 1.00 1.14 C ATOM 519 CG2 VAL A 35 -5.379 3.380 4.631 1.00 1.38 C ATOM 0 H VAL A 35 -7.532 5.018 3.731 1.00 0.40 H new ATOM 0 HA VAL A 35 -7.240 4.161 6.453 1.00 0.43 H new ATOM 0 HB VAL A 35 -5.315 5.509 4.531 1.00 0.51 H new ATOM 0 HG11 VAL A 35 -3.536 4.740 6.048 1.00 1.14 H new ATOM 0 HG12 VAL A 35 -4.630 5.901 6.836 1.00 1.14 H new ATOM 0 HG13 VAL A 35 -4.772 4.164 7.192 1.00 1.14 H new ATOM 0 HG21 VAL A 35 -4.349 3.249 4.299 1.00 1.38 H new ATOM 0 HG22 VAL A 35 -5.628 2.605 5.355 1.00 1.38 H new ATOM 0 HG23 VAL A 35 -6.048 3.305 3.774 1.00 1.38 H new ATOM 529 N MET A 36 -6.927 7.392 5.710 1.00 0.38 N ATOM 530 CA MET A 36 -7.002 8.742 6.251 1.00 0.40 C ATOM 531 C MET A 36 -8.352 8.984 6.926 1.00 0.37 C ATOM 532 O MET A 36 -8.424 9.635 7.967 1.00 0.39 O ATOM 533 CB MET A 36 -6.790 9.779 5.141 1.00 0.46 C ATOM 534 CG MET A 36 -5.465 9.631 4.397 1.00 0.82 C ATOM 535 SD MET A 36 -5.365 10.669 2.922 1.00 0.85 S ATOM 536 CE MET A 36 -3.693 10.341 2.360 1.00 0.83 C ATOM 0 H MET A 36 -6.740 7.357 4.708 1.00 0.38 H new ATOM 0 HA MET A 36 -6.213 8.847 6.995 1.00 0.40 H new ATOM 0 HB2 MET A 36 -7.608 9.701 4.425 1.00 0.46 H new ATOM 0 HB3 MET A 36 -6.841 10.777 5.576 1.00 0.46 H new ATOM 0 HG2 MET A 36 -4.646 9.885 5.070 1.00 0.82 H new ATOM 0 HG3 MET A 36 -5.330 8.588 4.111 1.00 0.82 H new ATOM 0 HE1 MET A 36 -3.328 11.193 1.787 1.00 0.83 H new ATOM 0 HE2 MET A 36 -3.045 10.179 3.221 1.00 0.83 H new ATOM 0 HE3 MET A 36 -3.689 9.452 1.730 1.00 0.83 H new ATOM 546 N ARG A 37 -9.410 8.429 6.325 1.00 0.36 N ATOM 547 CA ARG A 37 -10.780 8.573 6.859 1.00 0.38 C ATOM 548 C ARG A 37 -10.863 8.107 8.314 1.00 0.40 C ATOM 549 O ARG A 37 -11.478 8.769 9.149 1.00 0.45 O ATOM 550 CB ARG A 37 -11.775 7.775 5.998 1.00 0.41 C ATOM 551 CG ARG A 37 -13.239 8.066 6.308 1.00 0.51 C ATOM 552 CD ARG A 37 -14.174 7.381 5.325 1.00 0.71 C ATOM 553 NE ARG A 37 -15.576 7.743 5.550 1.00 1.03 N ATOM 554 CZ ARG A 37 -16.611 7.010 5.141 1.00 1.51 C ATOM 555 NH1 ARG A 37 -16.396 5.843 4.542 1.00 1.88 N ATOM 556 NH2 ARG A 37 -17.851 7.431 5.359 1.00 1.95 N ATOM 0 H ARG A 37 -9.350 7.876 5.470 1.00 0.36 H new ATOM 0 HA ARG A 37 -11.040 9.631 6.825 1.00 0.38 H new ATOM 0 HB2 ARG A 37 -11.587 7.994 4.947 1.00 0.41 H new ATOM 0 HB3 ARG A 37 -11.589 6.710 6.140 1.00 0.41 H new ATOM 0 HG2 ARG A 37 -13.469 7.733 7.320 1.00 0.51 H new ATOM 0 HG3 ARG A 37 -13.409 9.142 6.281 1.00 0.51 H new ATOM 0 HD2 ARG A 37 -13.890 7.651 4.308 1.00 0.71 H new ATOM 0 HD3 ARG A 37 -14.061 6.300 5.412 1.00 0.71 H new ATOM 0 HE ARG A 37 -15.772 8.610 6.051 1.00 1.03 H new ATOM 0 HH11 ARG A 37 -15.442 5.512 4.397 1.00 1.88 H new ATOM 0 HH12 ARG A 37 -17.185 5.278 4.227 1.00 1.88 H new ATOM 0 HH21 ARG A 37 -18.012 8.316 5.840 1.00 1.95 H new ATOM 0 HH22 ARG A 37 -18.643 6.869 5.046 1.00 1.95 H new ATOM 570 N SER A 38 -10.212 6.993 8.616 1.00 0.42 N ATOM 571 CA SER A 38 -10.244 6.434 9.967 1.00 0.45 C ATOM 572 C SER A 38 -9.116 6.988 10.837 1.00 0.46 C ATOM 573 O SER A 38 -9.191 6.953 12.066 1.00 0.59 O ATOM 574 CB SER A 38 -10.171 4.910 9.899 1.00 0.53 C ATOM 575 OG SER A 38 -11.249 4.382 9.139 1.00 0.58 O ATOM 0 H SER A 38 -9.656 6.457 7.949 1.00 0.42 H new ATOM 0 HA SER A 38 -11.185 6.729 10.432 1.00 0.45 H new ATOM 0 HB2 SER A 38 -9.224 4.607 9.452 1.00 0.53 H new ATOM 0 HB3 SER A 38 -10.195 4.496 10.907 1.00 0.53 H new ATOM 0 HG SER A 38 -11.180 3.405 9.108 1.00 0.58 H new ATOM 581 N LEU A 39 -8.092 7.527 10.199 1.00 0.40 N ATOM 582 CA LEU A 39 -6.942 8.077 10.916 1.00 0.43 C ATOM 583 C LEU A 39 -7.219 9.473 11.461 1.00 0.46 C ATOM 584 O LEU A 39 -6.765 9.820 12.555 1.00 0.58 O ATOM 585 CB LEU A 39 -5.724 8.125 10.001 1.00 0.44 C ATOM 586 CG LEU A 39 -4.442 7.545 10.603 1.00 0.46 C ATOM 587 CD1 LEU A 39 -4.612 6.063 10.911 1.00 0.72 C ATOM 588 CD2 LEU A 39 -3.248 7.772 9.678 1.00 0.52 C ATOM 0 H LEU A 39 -8.028 7.598 9.184 1.00 0.40 H new ATOM 0 HA LEU A 39 -6.747 7.418 11.762 1.00 0.43 H new ATOM 0 HB2 LEU A 39 -5.955 7.583 9.084 1.00 0.44 H new ATOM 0 HB3 LEU A 39 -5.539 9.162 9.720 1.00 0.44 H new ATOM 0 HG LEU A 39 -4.245 8.068 11.539 1.00 0.46 H new ATOM 0 HD11 LEU A 39 -3.689 5.672 11.338 1.00 0.72 H new ATOM 0 HD12 LEU A 39 -5.426 5.931 11.624 1.00 0.72 H new ATOM 0 HD13 LEU A 39 -4.843 5.525 9.992 1.00 0.72 H new ATOM 0 HD21 LEU A 39 -2.351 7.350 10.131 1.00 0.52 H new ATOM 0 HD22 LEU A 39 -3.433 7.287 8.719 1.00 0.52 H new ATOM 0 HD23 LEU A 39 -3.107 8.842 9.522 1.00 0.52 H new ATOM 600 N GLY A 40 -7.960 10.270 10.705 1.00 0.44 N ATOM 601 CA GLY A 40 -8.258 11.627 11.128 1.00 0.50 C ATOM 602 C GLY A 40 -9.233 12.324 10.196 1.00 0.50 C ATOM 603 O GLY A 40 -9.039 13.493 9.860 1.00 0.56 O ATOM 0 H GLY A 40 -8.361 10.003 9.806 1.00 0.44 H new ATOM 0 HA2 GLY A 40 -8.674 11.607 12.135 1.00 0.50 H new ATOM 0 HA3 GLY A 40 -7.333 12.201 11.176 1.00 0.50 H new ATOM 607 N GLN A 41 -10.284 11.599 9.798 1.00 0.49 N ATOM 608 CA GLN A 41 -11.328 12.112 8.897 1.00 0.54 C ATOM 609 C GLN A 41 -10.813 12.287 7.466 1.00 0.51 C ATOM 610 O GLN A 41 -9.654 12.618 7.232 1.00 0.60 O ATOM 611 CB GLN A 41 -11.905 13.445 9.399 1.00 0.62 C ATOM 612 CG GLN A 41 -13.179 13.863 8.674 1.00 1.04 C ATOM 613 CD GLN A 41 -13.460 15.352 8.749 1.00 1.93 C ATOM 614 OE1 GLN A 41 -14.298 15.794 9.536 1.00 2.45 O ATOM 615 NE2 GLN A 41 -12.742 16.133 7.961 1.00 2.83 N ATOM 0 H GLN A 41 -10.437 10.634 10.092 1.00 0.49 H new ATOM 0 HA GLN A 41 -12.121 11.364 8.892 1.00 0.54 H new ATOM 0 HB2 GLN A 41 -12.113 13.364 10.466 1.00 0.62 H new ATOM 0 HB3 GLN A 41 -11.154 14.226 9.279 1.00 0.62 H new ATOM 0 HG2 GLN A 41 -13.105 13.568 7.627 1.00 1.04 H new ATOM 0 HG3 GLN A 41 -14.024 13.321 9.099 1.00 1.04 H new ATOM 0 HE21 GLN A 41 -12.058 15.724 7.324 1.00 2.83 H new ATOM 0 HE22 GLN A 41 -12.871 17.144 7.990 1.00 2.83 H new ATOM 624 N ASN A 42 -11.705 12.083 6.506 1.00 0.53 N ATOM 625 CA ASN A 42 -11.349 12.223 5.101 1.00 0.53 C ATOM 626 C ASN A 42 -11.874 13.552 4.564 1.00 0.50 C ATOM 627 O ASN A 42 -13.006 13.940 4.860 1.00 0.56 O ATOM 628 CB ASN A 42 -11.921 11.064 4.287 1.00 0.67 C ATOM 629 CG ASN A 42 -11.361 10.995 2.878 1.00 0.73 C ATOM 630 OD1 ASN A 42 -10.323 10.391 2.648 1.00 0.96 O ATOM 631 ND2 ASN A 42 -12.044 11.624 1.931 1.00 0.63 N ATOM 0 H ASN A 42 -12.676 11.821 6.674 1.00 0.53 H new ATOM 0 HA ASN A 42 -10.263 12.205 5.011 1.00 0.53 H new ATOM 0 HB2 ASN A 42 -11.710 10.127 4.802 1.00 0.67 H new ATOM 0 HB3 ASN A 42 -13.005 11.163 4.237 1.00 0.67 H new ATOM 0 HD21 ASN A 42 -11.707 11.615 0.968 1.00 0.63 H new ATOM 0 HD22 ASN A 42 -12.906 12.116 2.165 1.00 0.63 H new ATOM 638 N PRO A 43 -11.042 14.291 3.812 1.00 0.49 N ATOM 639 CA PRO A 43 -11.441 15.572 3.225 1.00 0.54 C ATOM 640 C PRO A 43 -12.388 15.403 2.047 1.00 0.50 C ATOM 641 O PRO A 43 -13.009 14.356 1.879 1.00 0.48 O ATOM 642 CB PRO A 43 -10.120 16.165 2.749 1.00 0.61 C ATOM 643 CG PRO A 43 -9.235 14.992 2.504 1.00 0.60 C ATOM 644 CD PRO A 43 -9.635 13.962 3.513 1.00 0.56 C ATOM 0 HA PRO A 43 -11.979 16.194 3.940 1.00 0.54 H new ATOM 0 HB2 PRO A 43 -10.256 16.753 1.841 1.00 0.61 H new ATOM 0 HB3 PRO A 43 -9.694 16.831 3.499 1.00 0.61 H new ATOM 0 HG2 PRO A 43 -9.359 14.614 1.489 1.00 0.60 H new ATOM 0 HG3 PRO A 43 -8.185 15.264 2.617 1.00 0.60 H new ATOM 0 HD2 PRO A 43 -9.536 12.952 3.115 1.00 0.56 H new ATOM 0 HD3 PRO A 43 -9.013 14.015 4.407 1.00 0.56 H new ATOM 652 N THR A 44 -12.499 16.432 1.227 1.00 0.57 N ATOM 653 CA THR A 44 -13.369 16.374 0.069 1.00 0.59 C ATOM 654 C THR A 44 -12.725 15.544 -1.036 1.00 0.53 C ATOM 655 O THR A 44 -11.511 15.313 -1.022 1.00 0.50 O ATOM 656 CB THR A 44 -13.680 17.781 -0.464 1.00 0.71 C ATOM 657 OG1 THR A 44 -12.473 18.429 -0.856 1.00 0.72 O ATOM 658 CG2 THR A 44 -14.388 18.610 0.595 1.00 0.80 C ATOM 0 H THR A 44 -12.000 17.314 1.341 1.00 0.57 H new ATOM 0 HA THR A 44 -14.303 15.906 0.380 1.00 0.59 H new ATOM 0 HB THR A 44 -14.337 17.686 -1.329 1.00 0.71 H new ATOM 0 HG1 THR A 44 -12.030 18.801 -0.065 1.00 0.72 H new ATOM 0 HG21 THR A 44 -14.600 19.603 0.198 1.00 0.80 H new ATOM 0 HG22 THR A 44 -15.323 18.123 0.873 1.00 0.80 H new ATOM 0 HG23 THR A 44 -13.750 18.699 1.474 1.00 0.80 H new ATOM 666 N GLU A 45 -13.531 15.099 -1.995 1.00 0.58 N ATOM 667 CA GLU A 45 -13.034 14.286 -3.093 1.00 0.58 C ATOM 668 C GLU A 45 -12.005 15.049 -3.923 1.00 0.57 C ATOM 669 O GLU A 45 -11.096 14.453 -4.484 1.00 0.56 O ATOM 670 CB GLU A 45 -14.173 13.810 -3.992 1.00 0.68 C ATOM 671 CG GLU A 45 -15.345 13.195 -3.239 1.00 0.81 C ATOM 672 CD GLU A 45 -16.305 14.233 -2.702 1.00 1.39 C ATOM 673 OE1 GLU A 45 -17.073 14.811 -3.501 1.00 1.82 O ATOM 674 OE2 GLU A 45 -16.291 14.478 -1.474 1.00 2.13 O ATOM 0 H GLU A 45 -14.532 15.290 -2.031 1.00 0.58 H new ATOM 0 HA GLU A 45 -12.551 13.414 -2.653 1.00 0.58 H new ATOM 0 HB2 GLU A 45 -14.535 14.654 -4.579 1.00 0.68 H new ATOM 0 HB3 GLU A 45 -13.783 13.076 -4.697 1.00 0.68 H new ATOM 0 HG2 GLU A 45 -15.883 12.518 -3.903 1.00 0.81 H new ATOM 0 HG3 GLU A 45 -14.965 12.595 -2.412 1.00 0.81 H new ATOM 681 N ALA A 46 -12.161 16.361 -3.994 1.00 0.60 N ATOM 682 CA ALA A 46 -11.225 17.201 -4.738 1.00 0.61 C ATOM 683 C ALA A 46 -9.822 17.095 -4.136 1.00 0.55 C ATOM 684 O ALA A 46 -8.843 16.857 -4.842 1.00 0.54 O ATOM 685 CB ALA A 46 -11.694 18.646 -4.727 1.00 0.70 C ATOM 0 H ALA A 46 -12.924 16.870 -3.548 1.00 0.60 H new ATOM 0 HA ALA A 46 -11.188 16.853 -5.770 1.00 0.61 H new ATOM 0 HB1 ALA A 46 -10.988 19.262 -5.285 1.00 0.70 H new ATOM 0 HB2 ALA A 46 -12.678 18.713 -5.190 1.00 0.70 H new ATOM 0 HB3 ALA A 46 -11.752 19.002 -3.698 1.00 0.70 H new ATOM 691 N GLU A 47 -9.739 17.249 -2.820 1.00 0.54 N ATOM 692 CA GLU A 47 -8.459 17.160 -2.108 1.00 0.51 C ATOM 693 C GLU A 47 -7.899 15.747 -2.174 1.00 0.46 C ATOM 694 O GLU A 47 -6.687 15.549 -2.244 1.00 0.46 O ATOM 695 CB GLU A 47 -8.628 17.556 -0.647 1.00 0.55 C ATOM 696 CG GLU A 47 -9.221 18.936 -0.448 1.00 0.66 C ATOM 697 CD GLU A 47 -9.699 19.164 0.973 1.00 0.72 C ATOM 698 OE1 GLU A 47 -8.863 19.515 1.839 1.00 0.81 O ATOM 699 OE2 GLU A 47 -10.913 18.987 1.229 1.00 0.76 O ATOM 0 H GLU A 47 -10.541 17.437 -2.219 1.00 0.54 H new ATOM 0 HA GLU A 47 -7.765 17.846 -2.594 1.00 0.51 H new ATOM 0 HB2 GLU A 47 -9.266 16.823 -0.154 1.00 0.55 H new ATOM 0 HB3 GLU A 47 -7.656 17.515 -0.155 1.00 0.55 H new ATOM 0 HG2 GLU A 47 -8.474 19.689 -0.702 1.00 0.66 H new ATOM 0 HG3 GLU A 47 -10.056 19.071 -1.135 1.00 0.66 H new ATOM 706 N LEU A 48 -8.795 14.774 -2.143 1.00 0.44 N ATOM 707 CA LEU A 48 -8.415 13.371 -2.184 1.00 0.44 C ATOM 708 C LEU A 48 -7.909 12.978 -3.563 1.00 0.43 C ATOM 709 O LEU A 48 -6.994 12.165 -3.692 1.00 0.43 O ATOM 710 CB LEU A 48 -9.611 12.506 -1.781 1.00 0.51 C ATOM 711 CG LEU A 48 -9.292 11.050 -1.472 1.00 0.64 C ATOM 712 CD1 LEU A 48 -8.428 10.957 -0.227 1.00 0.76 C ATOM 713 CD2 LEU A 48 -10.578 10.265 -1.279 1.00 0.73 C ATOM 0 H LEU A 48 -9.801 14.933 -2.089 1.00 0.44 H new ATOM 0 HA LEU A 48 -7.600 13.209 -1.478 1.00 0.44 H new ATOM 0 HB2 LEU A 48 -10.080 12.951 -0.903 1.00 0.51 H new ATOM 0 HB3 LEU A 48 -10.346 12.536 -2.585 1.00 0.51 H new ATOM 0 HG LEU A 48 -8.743 10.623 -2.311 1.00 0.64 H new ATOM 0 HD11 LEU A 48 -8.206 9.911 -0.015 1.00 0.76 H new ATOM 0 HD12 LEU A 48 -7.497 11.500 -0.389 1.00 0.76 H new ATOM 0 HD13 LEU A 48 -8.960 11.393 0.618 1.00 0.76 H new ATOM 0 HD21 LEU A 48 -10.340 9.225 -1.058 1.00 0.73 H new ATOM 0 HD22 LEU A 48 -11.144 10.691 -0.450 1.00 0.73 H new ATOM 0 HD23 LEU A 48 -11.175 10.315 -2.190 1.00 0.73 H new ATOM 725 N GLN A 49 -8.484 13.572 -4.590 1.00 0.45 N ATOM 726 CA GLN A 49 -8.080 13.282 -5.950 1.00 0.47 C ATOM 727 C GLN A 49 -6.719 13.877 -6.214 1.00 0.46 C ATOM 728 O GLN A 49 -5.885 13.264 -6.871 1.00 0.48 O ATOM 729 CB GLN A 49 -9.095 13.827 -6.949 1.00 0.53 C ATOM 730 CG GLN A 49 -8.657 13.726 -8.407 1.00 0.74 C ATOM 731 CD GLN A 49 -9.606 14.459 -9.343 1.00 0.84 C ATOM 732 OE1 GLN A 49 -10.550 13.872 -9.881 1.00 0.99 O ATOM 733 NE2 GLN A 49 -9.354 15.744 -9.544 1.00 1.12 N ATOM 0 H GLN A 49 -9.233 14.259 -4.508 1.00 0.45 H new ATOM 0 HA GLN A 49 -8.032 12.200 -6.074 1.00 0.47 H new ATOM 0 HB2 GLN A 49 -10.034 13.288 -6.826 1.00 0.53 H new ATOM 0 HB3 GLN A 49 -9.294 14.872 -6.713 1.00 0.53 H new ATOM 0 HG2 GLN A 49 -7.654 14.139 -8.513 1.00 0.74 H new ATOM 0 HG3 GLN A 49 -8.602 12.677 -8.696 1.00 0.74 H new ATOM 0 HE21 GLN A 49 -8.562 16.187 -9.078 1.00 1.12 H new ATOM 0 HE22 GLN A 49 -9.952 16.290 -10.165 1.00 1.12 H new ATOM 742 N ASP A 50 -6.503 15.080 -5.679 1.00 0.45 N ATOM 743 CA ASP A 50 -5.234 15.768 -5.840 1.00 0.46 C ATOM 744 C ASP A 50 -4.108 14.927 -5.246 1.00 0.42 C ATOM 745 O ASP A 50 -2.986 14.905 -5.758 1.00 0.45 O ATOM 746 CB ASP A 50 -5.288 17.146 -5.180 1.00 0.51 C ATOM 747 CG ASP A 50 -3.911 17.758 -5.001 1.00 0.60 C ATOM 748 OD1 ASP A 50 -3.314 18.193 -6.009 1.00 1.10 O ATOM 749 OD2 ASP A 50 -3.423 17.814 -3.853 1.00 1.42 O ATOM 0 H ASP A 50 -7.194 15.593 -5.132 1.00 0.45 H new ATOM 0 HA ASP A 50 -5.039 15.909 -6.903 1.00 0.46 H new ATOM 0 HB2 ASP A 50 -5.902 17.812 -5.786 1.00 0.51 H new ATOM 0 HB3 ASP A 50 -5.774 17.061 -4.208 1.00 0.51 H new ATOM 754 N MET A 51 -4.448 14.188 -4.191 1.00 0.39 N ATOM 755 CA MET A 51 -3.495 13.329 -3.506 1.00 0.38 C ATOM 756 C MET A 51 -2.972 12.239 -4.451 1.00 0.37 C ATOM 757 O MET A 51 -1.770 12.005 -4.530 1.00 0.38 O ATOM 758 CB MET A 51 -4.152 12.702 -2.260 1.00 0.41 C ATOM 759 CG MET A 51 -3.469 13.088 -0.955 1.00 0.45 C ATOM 760 SD MET A 51 -1.718 12.650 -0.948 1.00 0.54 S ATOM 761 CE MET A 51 -1.814 10.861 -0.858 1.00 0.40 C ATOM 0 H MET A 51 -5.387 14.170 -3.792 1.00 0.39 H new ATOM 0 HA MET A 51 -2.646 13.933 -3.186 1.00 0.38 H new ATOM 0 HB2 MET A 51 -5.198 13.007 -2.218 1.00 0.41 H new ATOM 0 HB3 MET A 51 -4.140 11.617 -2.360 1.00 0.41 H new ATOM 0 HG2 MET A 51 -3.574 14.161 -0.795 1.00 0.45 H new ATOM 0 HG3 MET A 51 -3.970 12.591 -0.124 1.00 0.45 H new ATOM 0 HE1 MET A 51 -0.941 10.476 -0.332 1.00 0.40 H new ATOM 0 HE2 MET A 51 -2.718 10.572 -0.322 1.00 0.40 H new ATOM 0 HE3 MET A 51 -1.842 10.447 -1.866 1.00 0.40 H new ATOM 771 N ILE A 52 -3.876 11.592 -5.192 1.00 0.39 N ATOM 772 CA ILE A 52 -3.464 10.537 -6.124 1.00 0.43 C ATOM 773 C ILE A 52 -2.831 11.124 -7.388 1.00 0.47 C ATOM 774 O ILE A 52 -2.105 10.437 -8.107 1.00 0.52 O ATOM 775 CB ILE A 52 -4.633 9.595 -6.514 1.00 0.48 C ATOM 776 CG1 ILE A 52 -4.086 8.236 -6.979 1.00 0.49 C ATOM 777 CG2 ILE A 52 -5.513 10.204 -7.600 1.00 0.59 C ATOM 778 CD1 ILE A 52 -3.591 7.362 -5.852 1.00 0.46 C ATOM 0 H ILE A 52 -4.879 11.775 -5.167 1.00 0.39 H new ATOM 0 HA ILE A 52 -2.719 9.943 -5.594 1.00 0.43 H new ATOM 0 HB ILE A 52 -5.251 9.453 -5.628 1.00 0.48 H new ATOM 0 HG12 ILE A 52 -4.869 7.706 -7.521 1.00 0.49 H new ATOM 0 HG13 ILE A 52 -3.270 8.404 -7.682 1.00 0.49 H new ATOM 0 HG21 ILE A 52 -6.320 9.513 -7.845 1.00 0.59 H new ATOM 0 HG22 ILE A 52 -5.935 11.143 -7.242 1.00 0.59 H new ATOM 0 HG23 ILE A 52 -4.914 10.392 -8.491 1.00 0.59 H new ATOM 0 HD11 ILE A 52 -3.220 6.421 -6.257 1.00 0.46 H new ATOM 0 HD12 ILE A 52 -2.785 7.872 -5.323 1.00 0.46 H new ATOM 0 HD13 ILE A 52 -4.409 7.162 -5.160 1.00 0.46 H new ATOM 790 N ASN A 53 -3.080 12.405 -7.641 1.00 0.50 N ATOM 791 CA ASN A 53 -2.523 13.074 -8.820 1.00 0.57 C ATOM 792 C ASN A 53 -1.059 13.451 -8.574 1.00 0.56 C ATOM 793 O ASN A 53 -0.289 13.661 -9.507 1.00 0.61 O ATOM 794 CB ASN A 53 -3.362 14.318 -9.170 1.00 0.65 C ATOM 795 CG ASN A 53 -2.978 14.942 -10.504 1.00 0.72 C ATOM 796 OD1 ASN A 53 -3.419 14.485 -11.561 1.00 0.98 O ATOM 797 ND2 ASN A 53 -2.154 15.983 -10.473 1.00 1.06 N ATOM 0 H ASN A 53 -3.660 13.001 -7.051 1.00 0.50 H new ATOM 0 HA ASN A 53 -2.559 12.389 -9.667 1.00 0.57 H new ATOM 0 HB2 ASN A 53 -4.416 14.042 -9.195 1.00 0.65 H new ATOM 0 HB3 ASN A 53 -3.245 15.061 -8.381 1.00 0.65 H new ATOM 0 HD21 ASN A 53 -1.866 16.432 -11.343 1.00 1.06 H new ATOM 0 HD22 ASN A 53 -1.809 16.334 -9.580 1.00 1.06 H new ATOM 804 N GLU A 54 -0.689 13.511 -7.300 1.00 0.50 N ATOM 805 CA GLU A 54 0.676 13.853 -6.898 1.00 0.51 C ATOM 806 C GLU A 54 1.495 12.609 -6.566 1.00 0.50 C ATOM 807 O GLU A 54 2.616 12.700 -6.067 1.00 0.71 O ATOM 808 CB GLU A 54 0.627 14.752 -5.657 1.00 0.53 C ATOM 809 CG GLU A 54 1.832 15.656 -5.506 1.00 0.62 C ATOM 810 CD GLU A 54 1.677 16.640 -4.362 1.00 0.91 C ATOM 811 OE1 GLU A 54 1.352 16.202 -3.240 1.00 1.58 O ATOM 812 OE2 GLU A 54 1.893 17.852 -4.580 1.00 1.46 O ATOM 0 H GLU A 54 -1.319 13.326 -6.520 1.00 0.50 H new ATOM 0 HA GLU A 54 1.151 14.367 -7.734 1.00 0.51 H new ATOM 0 HB2 GLU A 54 -0.272 15.366 -5.701 1.00 0.53 H new ATOM 0 HB3 GLU A 54 0.542 14.125 -4.769 1.00 0.53 H new ATOM 0 HG2 GLU A 54 2.721 15.047 -5.340 1.00 0.62 H new ATOM 0 HG3 GLU A 54 1.990 16.205 -6.435 1.00 0.62 H new ATOM 819 N VAL A 55 0.955 11.447 -6.864 1.00 0.48 N ATOM 820 CA VAL A 55 1.638 10.207 -6.519 1.00 0.46 C ATOM 821 C VAL A 55 1.571 9.177 -7.641 1.00 0.47 C ATOM 822 O VAL A 55 2.305 8.195 -7.647 1.00 0.69 O ATOM 823 CB VAL A 55 1.036 9.684 -5.199 1.00 0.47 C ATOM 824 CG1 VAL A 55 -0.369 9.147 -5.335 1.00 0.39 C ATOM 825 CG2 VAL A 55 1.921 8.705 -4.489 1.00 0.82 C ATOM 0 H VAL A 55 0.059 11.329 -7.337 1.00 0.48 H new ATOM 0 HA VAL A 55 2.702 10.400 -6.381 1.00 0.46 H new ATOM 0 HB VAL A 55 0.969 10.573 -4.572 1.00 0.47 H new ATOM 0 HG11 VAL A 55 -0.721 8.799 -4.364 1.00 0.39 H new ATOM 0 HG12 VAL A 55 -1.027 9.937 -5.698 1.00 0.39 H new ATOM 0 HG13 VAL A 55 -0.375 8.317 -6.042 1.00 0.39 H new ATOM 0 HG21 VAL A 55 1.437 8.378 -3.569 1.00 0.82 H new ATOM 0 HG22 VAL A 55 2.099 7.843 -5.132 1.00 0.82 H new ATOM 0 HG23 VAL A 55 2.872 9.181 -4.249 1.00 0.82 H new ATOM 835 N ASP A 56 0.713 9.426 -8.612 1.00 0.52 N ATOM 836 CA ASP A 56 0.600 8.528 -9.748 1.00 0.52 C ATOM 837 C ASP A 56 1.173 9.221 -10.979 1.00 0.62 C ATOM 838 O ASP A 56 0.506 10.036 -11.610 1.00 0.70 O ATOM 839 CB ASP A 56 -0.850 8.121 -9.994 1.00 0.53 C ATOM 840 CG ASP A 56 -0.954 6.946 -10.949 1.00 0.52 C ATOM 841 OD1 ASP A 56 -0.469 5.826 -10.624 1.00 0.52 O ATOM 842 OD2 ASP A 56 -1.513 7.123 -12.042 1.00 0.57 O ATOM 0 H ASP A 56 0.090 10.233 -8.639 1.00 0.52 H new ATOM 0 HA ASP A 56 1.161 7.617 -9.537 1.00 0.52 H new ATOM 0 HB2 ASP A 56 -1.320 7.861 -9.046 1.00 0.53 H new ATOM 0 HB3 ASP A 56 -1.401 8.969 -10.400 1.00 0.53 H new ATOM 847 N ALA A 57 2.425 8.897 -11.301 1.00 0.68 N ATOM 848 CA ALA A 57 3.130 9.507 -12.427 1.00 0.81 C ATOM 849 C ALA A 57 2.592 9.018 -13.769 1.00 0.81 C ATOM 850 O ALA A 57 2.773 9.679 -14.790 1.00 0.88 O ATOM 851 CB ALA A 57 4.617 9.230 -12.295 1.00 0.90 C ATOM 0 H ALA A 57 2.977 8.207 -10.791 1.00 0.68 H new ATOM 0 HA ALA A 57 2.961 10.583 -12.401 1.00 0.81 H new ATOM 0 HB1 ALA A 57 5.147 9.683 -13.133 1.00 0.90 H new ATOM 0 HB2 ALA A 57 4.985 9.654 -11.361 1.00 0.90 H new ATOM 0 HB3 ALA A 57 4.788 8.154 -12.297 1.00 0.90 H new ATOM 857 N ASP A 58 1.951 7.855 -13.766 1.00 0.76 N ATOM 858 CA ASP A 58 1.372 7.297 -14.983 1.00 0.79 C ATOM 859 C ASP A 58 0.093 8.030 -15.349 1.00 0.80 C ATOM 860 O ASP A 58 -0.321 8.050 -16.511 1.00 0.85 O ATOM 861 CB ASP A 58 1.115 5.785 -14.851 1.00 0.76 C ATOM 862 CG ASP A 58 0.764 5.349 -13.442 1.00 0.61 C ATOM 863 OD1 ASP A 58 1.542 5.598 -12.502 1.00 0.59 O ATOM 864 OD2 ASP A 58 -0.296 4.730 -13.242 1.00 0.62 O ATOM 0 H ASP A 58 1.819 7.280 -12.934 1.00 0.76 H new ATOM 0 HA ASP A 58 2.096 7.435 -15.786 1.00 0.79 H new ATOM 0 HB2 ASP A 58 0.304 5.503 -15.522 1.00 0.76 H new ATOM 0 HB3 ASP A 58 2.003 5.244 -15.179 1.00 0.76 H new ATOM 869 N GLY A 59 -0.534 8.631 -14.350 1.00 0.85 N ATOM 870 CA GLY A 59 -1.745 9.391 -14.581 1.00 0.90 C ATOM 871 C GLY A 59 -2.963 8.520 -14.803 1.00 0.91 C ATOM 872 O GLY A 59 -3.893 8.911 -15.505 1.00 1.03 O ATOM 0 H GLY A 59 -0.224 8.606 -13.378 1.00 0.85 H new ATOM 0 HA2 GLY A 59 -1.924 10.044 -13.727 1.00 0.90 H new ATOM 0 HA3 GLY A 59 -1.603 10.034 -15.450 1.00 0.90 H new ATOM 876 N ASN A 60 -2.959 7.339 -14.211 1.00 0.82 N ATOM 877 CA ASN A 60 -4.087 6.425 -14.348 1.00 0.85 C ATOM 878 C ASN A 60 -4.849 6.368 -13.025 1.00 0.78 C ATOM 879 O ASN A 60 -6.029 6.022 -12.983 1.00 0.93 O ATOM 880 CB ASN A 60 -3.612 5.036 -14.809 1.00 0.88 C ATOM 881 CG ASN A 60 -3.861 3.946 -13.788 1.00 0.93 C ATOM 882 OD1 ASN A 60 -2.997 3.643 -12.974 1.00 1.23 O ATOM 883 ND2 ASN A 60 -5.030 3.333 -13.824 1.00 1.61 N ATOM 0 H ASN A 60 -2.194 6.989 -13.634 1.00 0.82 H new ATOM 0 HA ASN A 60 -4.767 6.790 -15.118 1.00 0.85 H new ATOM 0 HB2 ASN A 60 -4.120 4.776 -15.738 1.00 0.88 H new ATOM 0 HB3 ASN A 60 -2.546 5.080 -15.030 1.00 0.88 H new ATOM 0 HD21 ASN A 60 -5.234 2.584 -13.162 1.00 1.61 H new ATOM 0 HD22 ASN A 60 -5.729 3.608 -14.514 1.00 1.61 H new ATOM 890 N GLY A 61 -4.171 6.722 -11.943 1.00 0.64 N ATOM 891 CA GLY A 61 -4.804 6.736 -10.643 1.00 0.63 C ATOM 892 C GLY A 61 -4.571 5.472 -9.844 1.00 0.58 C ATOM 893 O GLY A 61 -4.997 5.368 -8.699 1.00 0.67 O ATOM 0 H GLY A 61 -3.190 7.001 -11.944 1.00 0.64 H new ATOM 0 HA2 GLY A 61 -4.431 7.589 -10.076 1.00 0.63 H new ATOM 0 HA3 GLY A 61 -5.876 6.883 -10.772 1.00 0.63 H new ATOM 897 N THR A 62 -3.883 4.511 -10.438 1.00 0.53 N ATOM 898 CA THR A 62 -3.623 3.244 -9.765 1.00 0.52 C ATOM 899 C THR A 62 -2.143 2.892 -9.790 1.00 0.49 C ATOM 900 O THR A 62 -1.396 3.310 -10.689 1.00 0.54 O ATOM 901 CB THR A 62 -4.422 2.111 -10.425 1.00 0.58 C ATOM 902 OG1 THR A 62 -5.670 2.636 -10.883 1.00 0.65 O ATOM 903 CG2 THR A 62 -4.676 0.962 -9.454 1.00 0.65 C ATOM 0 H THR A 62 -3.496 4.580 -11.379 1.00 0.53 H new ATOM 0 HA THR A 62 -3.936 3.359 -8.727 1.00 0.52 H new ATOM 0 HB THR A 62 -3.841 1.717 -11.259 1.00 0.58 H new ATOM 0 HG1 THR A 62 -6.189 1.922 -11.308 1.00 0.65 H new ATOM 0 HG21 THR A 62 -5.244 0.179 -9.957 1.00 0.65 H new ATOM 0 HG22 THR A 62 -3.723 0.557 -9.113 1.00 0.65 H new ATOM 0 HG23 THR A 62 -5.242 1.328 -8.598 1.00 0.65 H new ATOM 911 N ILE A 63 -1.723 2.120 -8.805 1.00 0.47 N ATOM 912 CA ILE A 63 -0.344 1.697 -8.707 1.00 0.46 C ATOM 913 C ILE A 63 -0.268 0.201 -8.439 1.00 0.50 C ATOM 914 O ILE A 63 -0.855 -0.289 -7.475 1.00 0.48 O ATOM 915 CB ILE A 63 0.411 2.506 -7.622 1.00 0.43 C ATOM 916 CG1 ILE A 63 1.142 3.661 -8.304 1.00 0.44 C ATOM 917 CG2 ILE A 63 1.375 1.639 -6.816 1.00 0.45 C ATOM 918 CD1 ILE A 63 2.280 4.249 -7.496 1.00 0.42 C ATOM 0 H ILE A 63 -2.324 1.773 -8.058 1.00 0.47 H new ATOM 0 HA ILE A 63 0.147 1.896 -9.660 1.00 0.46 H new ATOM 0 HB ILE A 63 -0.312 2.893 -6.904 1.00 0.43 H new ATOM 0 HG12 ILE A 63 1.534 3.312 -9.260 1.00 0.44 H new ATOM 0 HG13 ILE A 63 0.423 4.450 -8.523 1.00 0.44 H new ATOM 0 HG21 ILE A 63 1.879 2.253 -6.069 1.00 0.45 H new ATOM 0 HG22 ILE A 63 0.820 0.844 -6.318 1.00 0.45 H new ATOM 0 HG23 ILE A 63 2.116 1.200 -7.485 1.00 0.45 H new ATOM 0 HD11 ILE A 63 2.742 5.062 -8.056 1.00 0.42 H new ATOM 0 HD12 ILE A 63 1.895 4.632 -6.551 1.00 0.42 H new ATOM 0 HD13 ILE A 63 3.023 3.477 -7.299 1.00 0.42 H new ATOM 930 N ASP A 64 0.424 -0.513 -9.323 1.00 0.57 N ATOM 931 CA ASP A 64 0.591 -1.959 -9.200 1.00 0.64 C ATOM 932 C ASP A 64 1.921 -2.289 -8.518 1.00 0.65 C ATOM 933 O ASP A 64 2.595 -1.398 -8.002 1.00 0.61 O ATOM 934 CB ASP A 64 0.523 -2.586 -10.600 1.00 0.70 C ATOM 935 CG ASP A 64 0.134 -4.054 -10.590 1.00 0.82 C ATOM 936 OD1 ASP A 64 0.949 -4.896 -10.178 1.00 0.95 O ATOM 937 OD2 ASP A 64 -0.991 -4.377 -11.014 1.00 1.09 O ATOM 0 H ASP A 64 0.882 -0.109 -10.140 1.00 0.57 H new ATOM 0 HA ASP A 64 -0.207 -2.370 -8.582 1.00 0.64 H new ATOM 0 HB2 ASP A 64 -0.197 -2.032 -11.203 1.00 0.70 H new ATOM 0 HB3 ASP A 64 1.494 -2.479 -11.084 1.00 0.70 H new ATOM 942 N PHE A 65 2.271 -3.570 -8.512 1.00 0.73 N ATOM 943 CA PHE A 65 3.510 -4.075 -7.909 1.00 0.77 C ATOM 944 C PHE A 65 4.743 -3.343 -8.463 1.00 0.75 C ATOM 945 O PHE A 65 5.520 -2.798 -7.687 1.00 0.75 O ATOM 946 CB PHE A 65 3.660 -5.594 -8.131 1.00 0.88 C ATOM 947 CG PHE A 65 2.767 -6.464 -7.275 1.00 1.13 C ATOM 948 CD1 PHE A 65 1.394 -6.273 -7.255 1.00 1.40 C ATOM 949 CD2 PHE A 65 3.307 -7.481 -6.490 1.00 1.38 C ATOM 950 CE1 PHE A 65 0.579 -7.070 -6.477 1.00 1.70 C ATOM 951 CE2 PHE A 65 2.491 -8.278 -5.707 1.00 1.68 C ATOM 952 CZ PHE A 65 1.127 -8.072 -5.701 1.00 1.78 C ATOM 0 H PHE A 65 1.697 -4.302 -8.931 1.00 0.73 H new ATOM 0 HA PHE A 65 3.446 -3.883 -6.838 1.00 0.77 H new ATOM 0 HB2 PHE A 65 3.456 -5.813 -9.179 1.00 0.88 H new ATOM 0 HB3 PHE A 65 4.697 -5.871 -7.943 1.00 0.88 H new ATOM 0 HD1 PHE A 65 0.956 -5.490 -7.856 1.00 1.40 H new ATOM 0 HD2 PHE A 65 4.374 -7.649 -6.493 1.00 1.38 H new ATOM 0 HE1 PHE A 65 -0.489 -6.910 -6.475 1.00 1.70 H new ATOM 0 HE2 PHE A 65 2.922 -9.061 -5.101 1.00 1.68 H new ATOM 0 HZ PHE A 65 0.489 -8.693 -5.090 1.00 1.78 H new ATOM 962 N PRO A 66 4.952 -3.309 -9.804 1.00 0.76 N ATOM 963 CA PRO A 66 6.105 -2.621 -10.420 1.00 0.78 C ATOM 964 C PRO A 66 6.212 -1.172 -9.961 1.00 0.73 C ATOM 965 O PRO A 66 7.303 -0.664 -9.675 1.00 0.77 O ATOM 966 CB PRO A 66 5.787 -2.663 -11.923 1.00 0.79 C ATOM 967 CG PRO A 66 4.359 -3.065 -12.016 1.00 0.77 C ATOM 968 CD PRO A 66 4.101 -3.924 -10.830 1.00 0.79 C ATOM 0 HA PRO A 66 7.050 -3.093 -10.152 1.00 0.78 H new ATOM 0 HB2 PRO A 66 5.952 -1.690 -12.386 1.00 0.79 H new ATOM 0 HB3 PRO A 66 6.430 -3.375 -12.440 1.00 0.79 H new ATOM 0 HG2 PRO A 66 3.706 -2.192 -12.016 1.00 0.77 H new ATOM 0 HG3 PRO A 66 4.165 -3.608 -12.941 1.00 0.77 H new ATOM 0 HD2 PRO A 66 3.049 -3.916 -10.544 1.00 0.79 H new ATOM 0 HD3 PRO A 66 4.373 -4.963 -11.014 1.00 0.79 H new ATOM 976 N GLU A 67 5.069 -0.512 -9.910 1.00 0.66 N ATOM 977 CA GLU A 67 4.991 0.862 -9.472 1.00 0.62 C ATOM 978 C GLU A 67 5.375 0.954 -8.002 1.00 0.62 C ATOM 979 O GLU A 67 6.214 1.765 -7.629 1.00 0.64 O ATOM 980 CB GLU A 67 3.570 1.405 -9.683 1.00 0.58 C ATOM 981 CG GLU A 67 3.256 1.835 -11.109 1.00 0.60 C ATOM 982 CD GLU A 67 1.762 1.998 -11.338 1.00 0.54 C ATOM 983 OE1 GLU A 67 1.069 0.972 -11.468 1.00 0.61 O ATOM 984 OE2 GLU A 67 1.265 3.159 -11.357 1.00 0.52 O ATOM 0 H GLU A 67 4.170 -0.917 -10.172 1.00 0.66 H new ATOM 0 HA GLU A 67 5.684 1.464 -10.060 1.00 0.62 H new ATOM 0 HB2 GLU A 67 2.855 0.638 -9.384 1.00 0.58 H new ATOM 0 HB3 GLU A 67 3.420 2.257 -9.020 1.00 0.58 H new ATOM 0 HG2 GLU A 67 3.761 2.777 -11.323 1.00 0.60 H new ATOM 0 HG3 GLU A 67 3.651 1.096 -11.806 1.00 0.60 H new ATOM 991 N PHE A 68 4.780 0.093 -7.183 1.00 0.60 N ATOM 992 CA PHE A 68 5.052 0.058 -5.749 1.00 0.59 C ATOM 993 C PHE A 68 6.543 -0.149 -5.496 1.00 0.63 C ATOM 994 O PHE A 68 7.146 0.511 -4.650 1.00 0.67 O ATOM 995 CB PHE A 68 4.255 -1.083 -5.106 1.00 0.60 C ATOM 996 CG PHE A 68 4.383 -1.167 -3.611 1.00 0.58 C ATOM 997 CD1 PHE A 68 3.639 -0.344 -2.787 1.00 0.55 C ATOM 998 CD2 PHE A 68 5.244 -2.087 -3.031 1.00 0.71 C ATOM 999 CE1 PHE A 68 3.752 -0.430 -1.411 1.00 0.62 C ATOM 1000 CE2 PHE A 68 5.361 -2.178 -1.659 1.00 0.77 C ATOM 1001 CZ PHE A 68 4.614 -1.347 -0.844 1.00 0.71 C ATOM 0 H PHE A 68 4.097 -0.599 -7.493 1.00 0.60 H new ATOM 0 HA PHE A 68 4.751 1.008 -5.308 1.00 0.59 H new ATOM 0 HB2 PHE A 68 3.202 -0.963 -5.362 1.00 0.60 H new ATOM 0 HB3 PHE A 68 4.583 -2.028 -5.540 1.00 0.60 H new ATOM 0 HD1 PHE A 68 2.961 0.375 -3.223 1.00 0.55 H new ATOM 0 HD2 PHE A 68 5.830 -2.740 -3.661 1.00 0.71 H new ATOM 0 HE1 PHE A 68 3.165 0.221 -0.780 1.00 0.62 H new ATOM 0 HE2 PHE A 68 6.036 -2.898 -1.221 1.00 0.77 H new ATOM 0 HZ PHE A 68 4.705 -1.415 0.230 1.00 0.71 H new ATOM 1011 N LEU A 69 7.120 -1.070 -6.252 1.00 0.66 N ATOM 1012 CA LEU A 69 8.536 -1.392 -6.142 1.00 0.72 C ATOM 1013 C LEU A 69 9.413 -0.154 -6.322 1.00 0.76 C ATOM 1014 O LEU A 69 10.491 -0.060 -5.737 1.00 0.82 O ATOM 1015 CB LEU A 69 8.916 -2.466 -7.165 1.00 0.75 C ATOM 1016 CG LEU A 69 8.419 -3.886 -6.841 1.00 0.79 C ATOM 1017 CD1 LEU A 69 8.716 -4.850 -7.980 1.00 0.82 C ATOM 1018 CD2 LEU A 69 9.041 -4.385 -5.548 1.00 0.90 C ATOM 0 H LEU A 69 6.623 -1.614 -6.957 1.00 0.66 H new ATOM 0 HA LEU A 69 8.711 -1.777 -5.137 1.00 0.72 H new ATOM 0 HB2 LEU A 69 8.521 -2.174 -8.138 1.00 0.75 H new ATOM 0 HB3 LEU A 69 10.002 -2.490 -7.256 1.00 0.75 H new ATOM 0 HG LEU A 69 7.337 -3.840 -6.715 1.00 0.79 H new ATOM 0 HD11 LEU A 69 8.352 -5.844 -7.720 1.00 0.82 H new ATOM 0 HD12 LEU A 69 8.217 -4.507 -8.886 1.00 0.82 H new ATOM 0 HD13 LEU A 69 9.792 -4.891 -8.151 1.00 0.82 H new ATOM 0 HD21 LEU A 69 8.679 -5.390 -5.334 1.00 0.90 H new ATOM 0 HD22 LEU A 69 10.126 -4.404 -5.650 1.00 0.90 H new ATOM 0 HD23 LEU A 69 8.765 -3.719 -4.731 1.00 0.90 H new ATOM 1030 N THR A 70 8.956 0.787 -7.137 1.00 0.75 N ATOM 1031 CA THR A 70 9.707 2.013 -7.385 1.00 0.82 C ATOM 1032 C THR A 70 9.249 3.143 -6.456 1.00 0.78 C ATOM 1033 O THR A 70 10.061 3.927 -5.966 1.00 0.98 O ATOM 1034 CB THR A 70 9.548 2.470 -8.854 1.00 0.89 C ATOM 1035 OG1 THR A 70 9.637 1.337 -9.729 1.00 0.95 O ATOM 1036 CG2 THR A 70 10.608 3.486 -9.244 1.00 1.02 C ATOM 0 H THR A 70 8.070 0.726 -7.638 1.00 0.75 H new ATOM 0 HA THR A 70 10.756 1.793 -7.186 1.00 0.82 H new ATOM 0 HB THR A 70 8.570 2.942 -8.948 1.00 0.89 H new ATOM 0 HG1 THR A 70 8.806 0.819 -9.679 1.00 0.95 H new ATOM 0 HG21 THR A 70 10.463 3.783 -10.283 1.00 1.02 H new ATOM 0 HG22 THR A 70 10.526 4.363 -8.601 1.00 1.02 H new ATOM 0 HG23 THR A 70 11.597 3.043 -9.128 1.00 1.02 H new ATOM 1044 N MET A 71 7.947 3.203 -6.212 1.00 0.69 N ATOM 1045 CA MET A 71 7.373 4.246 -5.375 1.00 0.66 C ATOM 1046 C MET A 71 7.920 4.202 -3.958 1.00 0.66 C ATOM 1047 O MET A 71 8.531 5.164 -3.494 1.00 0.69 O ATOM 1048 CB MET A 71 5.855 4.138 -5.348 1.00 0.67 C ATOM 1049 CG MET A 71 5.204 4.955 -4.245 1.00 0.68 C ATOM 1050 SD MET A 71 5.460 6.729 -4.442 1.00 0.63 S ATOM 1051 CE MET A 71 4.705 7.355 -2.940 1.00 0.67 C ATOM 0 H MET A 71 7.267 2.539 -6.583 1.00 0.69 H new ATOM 0 HA MET A 71 7.657 5.202 -5.814 1.00 0.66 H new ATOM 0 HB2 MET A 71 5.459 4.463 -6.310 1.00 0.67 H new ATOM 0 HB3 MET A 71 5.576 3.091 -5.226 1.00 0.67 H new ATOM 0 HG2 MET A 71 4.134 4.747 -4.229 1.00 0.68 H new ATOM 0 HG3 MET A 71 5.605 4.640 -3.282 1.00 0.68 H new ATOM 0 HE1 MET A 71 4.121 8.246 -3.170 1.00 0.67 H new ATOM 0 HE2 MET A 71 4.051 6.593 -2.516 1.00 0.67 H new ATOM 0 HE3 MET A 71 5.483 7.607 -2.219 1.00 0.67 H new ATOM 1061 N MET A 72 7.726 3.082 -3.289 1.00 0.71 N ATOM 1062 CA MET A 72 8.186 2.926 -1.916 1.00 0.77 C ATOM 1063 C MET A 72 9.685 2.656 -1.858 1.00 0.84 C ATOM 1064 O MET A 72 10.166 1.960 -0.967 1.00 0.99 O ATOM 1065 CB MET A 72 7.429 1.783 -1.247 1.00 0.84 C ATOM 1066 CG MET A 72 6.252 2.234 -0.398 1.00 0.79 C ATOM 1067 SD MET A 72 4.976 3.097 -1.339 1.00 0.65 S ATOM 1068 CE MET A 72 3.804 3.471 -0.035 1.00 0.64 C ATOM 0 H MET A 72 7.253 2.264 -3.672 1.00 0.71 H new ATOM 0 HA MET A 72 7.991 3.858 -1.386 1.00 0.77 H new ATOM 0 HB2 MET A 72 7.068 1.100 -2.016 1.00 0.84 H new ATOM 0 HB3 MET A 72 8.121 1.220 -0.621 1.00 0.84 H new ATOM 0 HG2 MET A 72 5.809 1.364 0.087 1.00 0.79 H new ATOM 0 HG3 MET A 72 6.615 2.890 0.393 1.00 0.79 H new ATOM 0 HE1 MET A 72 2.872 3.828 -0.474 1.00 0.64 H new ATOM 0 HE2 MET A 72 3.609 2.571 0.548 1.00 0.64 H new ATOM 0 HE3 MET A 72 4.217 4.242 0.615 1.00 0.64 H new ATOM 1078 N ALA A 73 10.415 3.216 -2.806 1.00 0.92 N ATOM 1079 CA ALA A 73 11.852 3.032 -2.865 1.00 0.99 C ATOM 1080 C ALA A 73 12.580 4.352 -3.174 1.00 1.02 C ATOM 1081 O ALA A 73 13.763 4.512 -2.855 1.00 1.21 O ATOM 1082 CB ALA A 73 12.197 1.960 -3.890 1.00 1.06 C ATOM 0 H ALA A 73 10.034 3.804 -3.547 1.00 0.92 H new ATOM 0 HA ALA A 73 12.195 2.702 -1.885 1.00 0.99 H new ATOM 0 HB1 ALA A 73 13.278 1.828 -3.928 1.00 1.06 H new ATOM 0 HB2 ALA A 73 11.726 1.019 -3.605 1.00 1.06 H new ATOM 0 HB3 ALA A 73 11.834 2.265 -4.871 1.00 1.06 H new ATOM 1088 N ARG A 74 11.869 5.299 -3.774 1.00 0.99 N ATOM 1089 CA ARG A 74 12.463 6.584 -4.130 1.00 1.04 C ATOM 1090 C ARG A 74 12.110 7.662 -3.112 1.00 0.99 C ATOM 1091 O ARG A 74 11.035 8.256 -3.159 1.00 1.02 O ATOM 1092 CB ARG A 74 12.032 6.999 -5.539 1.00 1.13 C ATOM 1093 CG ARG A 74 12.855 8.140 -6.136 1.00 1.37 C ATOM 1094 CD ARG A 74 12.167 9.485 -5.964 1.00 1.71 C ATOM 1095 NE ARG A 74 10.973 9.596 -6.799 1.00 1.78 N ATOM 1096 CZ ARG A 74 10.623 10.690 -7.478 1.00 2.20 C ATOM 1097 NH1 ARG A 74 11.303 11.819 -7.315 1.00 2.56 N ATOM 1098 NH2 ARG A 74 9.579 10.657 -8.302 1.00 2.56 N ATOM 0 H ARG A 74 10.885 5.203 -4.024 1.00 0.99 H new ATOM 0 HA ARG A 74 13.547 6.468 -4.120 1.00 1.04 H new ATOM 0 HB2 ARG A 74 12.101 6.133 -6.198 1.00 1.13 H new ATOM 0 HB3 ARG A 74 10.984 7.297 -5.513 1.00 1.13 H new ATOM 0 HG2 ARG A 74 13.835 8.170 -5.659 1.00 1.37 H new ATOM 0 HG3 ARG A 74 13.023 7.951 -7.196 1.00 1.37 H new ATOM 0 HD2 ARG A 74 11.893 9.621 -4.918 1.00 1.71 H new ATOM 0 HD3 ARG A 74 12.863 10.284 -6.218 1.00 1.71 H new ATOM 0 HE ARG A 74 10.365 8.780 -6.868 1.00 1.78 H new ATOM 0 HH11 ARG A 74 12.093 11.850 -6.671 1.00 2.56 H new ATOM 0 HH12 ARG A 74 11.035 12.655 -7.834 1.00 2.56 H new ATOM 0 HH21 ARG A 74 9.046 9.795 -8.415 1.00 2.56 H new ATOM 0 HH22 ARG A 74 9.312 11.494 -8.821 1.00 2.56 H new ATOM 1213 N ARG B 287 3.486 16.396 0.229 1.00 0.99 N ATOM 1214 CA ARG B 287 3.420 15.618 -1.028 1.00 0.79 C ATOM 1215 C ARG B 287 2.852 14.230 -0.757 1.00 0.66 C ATOM 1216 O ARG B 287 2.996 13.690 0.343 1.00 0.65 O ATOM 1217 CB ARG B 287 4.811 15.519 -1.668 1.00 0.87 C ATOM 1218 CG ARG B 287 4.799 15.599 -3.192 1.00 0.86 C ATOM 1219 CD ARG B 287 5.283 16.966 -3.670 1.00 1.18 C ATOM 1220 NE ARG B 287 4.340 18.025 -3.324 1.00 1.77 N ATOM 1221 CZ ARG B 287 4.632 19.095 -2.578 1.00 2.50 C ATOM 1222 NH1 ARG B 287 5.850 19.282 -2.080 1.00 2.87 N ATOM 1223 NH2 ARG B 287 3.688 19.998 -2.339 1.00 3.11 N ATOM 0 HA ARG B 287 2.759 16.132 -1.726 1.00 0.79 H new ATOM 0 HB2 ARG B 287 5.438 16.321 -1.277 1.00 0.87 H new ATOM 0 HB3 ARG B 287 5.272 14.578 -1.367 1.00 0.87 H new ATOM 0 HG2 ARG B 287 5.437 14.818 -3.606 1.00 0.86 H new ATOM 0 HG3 ARG B 287 3.790 15.416 -3.562 1.00 0.86 H new ATOM 0 HD2 ARG B 287 6.254 17.184 -3.225 1.00 1.18 H new ATOM 0 HD3 ARG B 287 5.425 16.944 -4.750 1.00 1.18 H new ATOM 0 HE ARG B 287 3.387 17.942 -3.678 1.00 1.77 H new ATOM 0 HH11 ARG B 287 6.586 18.601 -2.264 1.00 2.87 H new ATOM 0 HH12 ARG B 287 6.048 20.107 -1.513 1.00 2.87 H new ATOM 0 HH21 ARG B 287 2.752 19.871 -2.723 1.00 3.11 H new ATOM 0 HH22 ARG B 287 3.899 20.819 -1.771 1.00 3.11 H new ATOM 1239 N ALA B 288 2.202 13.653 -1.770 1.00 0.60 N ATOM 1240 CA ALA B 288 1.597 12.327 -1.657 1.00 0.51 C ATOM 1241 C ALA B 288 2.611 11.261 -1.274 1.00 0.50 C ATOM 1242 O ALA B 288 2.260 10.244 -0.690 1.00 0.48 O ATOM 1243 CB ALA B 288 0.931 11.924 -2.964 1.00 0.54 C ATOM 0 H ALA B 288 2.081 14.089 -2.684 1.00 0.60 H new ATOM 0 HA ALA B 288 0.852 12.395 -0.864 1.00 0.51 H new ATOM 0 HB1 ALA B 288 0.488 10.934 -2.856 1.00 0.54 H new ATOM 0 HB2 ALA B 288 0.152 12.645 -3.213 1.00 0.54 H new ATOM 0 HB3 ALA B 288 1.675 11.904 -3.760 1.00 0.54 H new ATOM 1249 N ALA B 289 3.880 11.509 -1.591 1.00 0.54 N ATOM 1250 CA ALA B 289 4.931 10.537 -1.289 1.00 0.57 C ATOM 1251 C ALA B 289 5.220 10.406 0.207 1.00 0.58 C ATOM 1252 O ALA B 289 6.201 9.782 0.596 1.00 0.65 O ATOM 1253 CB ALA B 289 6.205 10.859 -2.085 1.00 0.65 C ATOM 0 H ALA B 289 4.203 12.361 -2.050 1.00 0.54 H new ATOM 0 HA ALA B 289 4.560 9.561 -1.603 1.00 0.57 H new ATOM 0 HB1 ALA B 289 6.977 10.126 -1.849 1.00 0.65 H new ATOM 0 HB2 ALA B 289 5.986 10.824 -3.152 1.00 0.65 H new ATOM 0 HB3 ALA B 289 6.558 11.856 -1.820 1.00 0.65 H new ATOM 1259 N ASN B 290 4.521 11.198 1.004 1.00 0.56 N ATOM 1260 CA ASN B 290 4.641 11.122 2.453 1.00 0.58 C ATOM 1261 C ASN B 290 3.343 10.595 3.042 1.00 0.53 C ATOM 1262 O ASN B 290 3.327 9.987 4.108 1.00 0.53 O ATOM 1263 CB ASN B 290 5.009 12.480 3.022 1.00 0.66 C ATOM 1264 CG ASN B 290 6.177 13.127 2.295 1.00 0.74 C ATOM 1265 OD1 ASN B 290 6.010 13.773 1.257 1.00 0.76 O ATOM 1266 ND2 ASN B 290 7.363 12.984 2.854 1.00 0.87 N ATOM 0 H ASN B 290 3.863 11.903 0.672 1.00 0.56 H new ATOM 0 HA ASN B 290 5.440 10.431 2.721 1.00 0.58 H new ATOM 0 HB2 ASN B 290 4.143 13.139 2.966 1.00 0.66 H new ATOM 0 HB3 ASN B 290 5.259 12.371 4.077 1.00 0.66 H new ATOM 0 HD21 ASN B 290 8.183 13.415 2.428 1.00 0.87 H new ATOM 0 HD22 ASN B 290 7.460 12.442 3.713 1.00 0.87 H new ATOM 1273 N LEU B 291 2.251 10.908 2.356 1.00 0.51 N ATOM 1274 CA LEU B 291 0.930 10.480 2.775 1.00 0.48 C ATOM 1275 C LEU B 291 0.692 9.044 2.340 1.00 0.46 C ATOM 1276 O LEU B 291 -0.358 8.475 2.591 1.00 0.71 O ATOM 1277 CB LEU B 291 -0.137 11.410 2.220 1.00 0.50 C ATOM 1278 CG LEU B 291 -0.276 12.731 2.977 1.00 0.58 C ATOM 1279 CD1 LEU B 291 -1.303 13.609 2.298 1.00 1.37 C ATOM 1280 CD2 LEU B 291 -0.663 12.482 4.428 1.00 1.18 C ATOM 0 H LEU B 291 2.259 11.462 1.500 1.00 0.51 H new ATOM 0 HA LEU B 291 0.870 10.524 3.862 1.00 0.48 H new ATOM 0 HB2 LEU B 291 0.092 11.625 1.176 1.00 0.50 H new ATOM 0 HB3 LEU B 291 -1.097 10.893 2.235 1.00 0.50 H new ATOM 0 HG LEU B 291 0.687 13.242 2.967 1.00 0.58 H new ATOM 0 HD11 LEU B 291 -1.396 14.548 2.843 1.00 1.37 H new ATOM 0 HD12 LEU B 291 -0.988 13.813 1.275 1.00 1.37 H new ATOM 0 HD13 LEU B 291 -2.266 13.099 2.286 1.00 1.37 H new ATOM 0 HD21 LEU B 291 -0.757 13.435 4.948 1.00 1.18 H new ATOM 0 HD22 LEU B 291 -1.616 11.953 4.465 1.00 1.18 H new ATOM 0 HD23 LEU B 291 0.106 11.879 4.911 1.00 1.18 H new ATOM 1292 N TRP B 292 1.643 8.521 1.581 1.00 0.41 N ATOM 1293 CA TRP B 292 1.619 7.129 1.151 1.00 0.39 C ATOM 1294 C TRP B 292 2.408 6.306 2.191 1.00 0.41 C ATOM 1295 O TRP B 292 1.915 5.293 2.691 1.00 0.41 O ATOM 1296 CB TRP B 292 2.191 6.979 -0.274 1.00 0.42 C ATOM 1297 CG TRP B 292 1.125 6.945 -1.334 1.00 0.37 C ATOM 1298 CD1 TRP B 292 0.003 7.720 -1.395 1.00 0.36 C ATOM 1299 CD2 TRP B 292 1.083 6.087 -2.475 1.00 0.37 C ATOM 1300 NE1 TRP B 292 -0.730 7.406 -2.505 1.00 0.34 N ATOM 1301 CE2 TRP B 292 -0.090 6.412 -3.186 1.00 0.35 C ATOM 1302 CE3 TRP B 292 1.915 5.080 -2.975 1.00 0.40 C ATOM 1303 CZ2 TRP B 292 -0.442 5.773 -4.364 1.00 0.38 C ATOM 1304 CZ3 TRP B 292 1.554 4.446 -4.145 1.00 0.42 C ATOM 1305 CH2 TRP B 292 0.383 4.792 -4.823 1.00 0.42 C ATOM 0 H TRP B 292 2.451 9.046 1.246 1.00 0.41 H new ATOM 0 HA TRP B 292 0.595 6.759 1.099 1.00 0.39 H new ATOM 0 HB2 TRP B 292 2.870 7.807 -0.476 1.00 0.42 H new ATOM 0 HB3 TRP B 292 2.780 6.063 -0.329 1.00 0.42 H new ATOM 0 HD1 TRP B 292 -0.267 8.474 -0.670 1.00 0.36 H new ATOM 0 HE1 TRP B 292 -1.610 7.843 -2.779 1.00 0.34 H new ATOM 0 HE3 TRP B 292 2.821 4.805 -2.456 1.00 0.40 H new ATOM 0 HZ2 TRP B 292 -1.340 6.044 -4.900 1.00 0.38 H new ATOM 0 HZ3 TRP B 292 2.188 3.668 -4.544 1.00 0.42 H new ATOM 0 HH2 TRP B 292 0.126 4.269 -5.732 1.00 0.42 H new ATOM 1316 N PRO B 293 3.668 6.705 2.494 1.00 0.44 N ATOM 1317 CA PRO B 293 4.482 6.067 3.541 1.00 0.48 C ATOM 1318 C PRO B 293 3.757 5.965 4.876 1.00 0.46 C ATOM 1319 O PRO B 293 3.930 4.984 5.599 1.00 0.47 O ATOM 1320 CB PRO B 293 5.672 7.028 3.640 1.00 0.53 C ATOM 1321 CG PRO B 293 5.861 7.428 2.245 1.00 0.54 C ATOM 1322 CD PRO B 293 4.469 7.701 1.760 1.00 0.49 C ATOM 0 HA PRO B 293 4.744 5.036 3.302 1.00 0.48 H new ATOM 0 HB2 PRO B 293 5.454 7.881 4.283 1.00 0.53 H new ATOM 0 HB3 PRO B 293 6.557 6.540 4.047 1.00 0.53 H new ATOM 0 HG2 PRO B 293 6.493 8.312 2.164 1.00 0.54 H new ATOM 0 HG3 PRO B 293 6.340 6.640 1.664 1.00 0.54 H new ATOM 0 HD2 PRO B 293 4.154 8.720 1.986 1.00 0.49 H new ATOM 0 HD3 PRO B 293 4.384 7.573 0.681 1.00 0.49 H new ATOM 1330 N SER B 294 2.953 6.982 5.206 1.00 0.47 N ATOM 1331 CA SER B 294 2.199 6.968 6.466 1.00 0.47 C ATOM 1332 C SER B 294 1.262 5.738 6.540 1.00 0.42 C ATOM 1333 O SER B 294 1.426 4.908 7.437 1.00 0.40 O ATOM 1334 CB SER B 294 1.454 8.302 6.673 1.00 0.53 C ATOM 1335 OG SER B 294 0.343 8.157 7.543 1.00 0.95 O ATOM 0 H SER B 294 2.808 7.812 4.630 1.00 0.47 H new ATOM 0 HA SER B 294 2.902 6.870 7.293 1.00 0.47 H new ATOM 0 HB2 SER B 294 2.142 9.042 7.082 1.00 0.53 H new ATOM 0 HB3 SER B 294 1.114 8.681 5.709 1.00 0.53 H new ATOM 0 HG SER B 294 -0.103 9.023 7.651 1.00 0.95 H new ATOM 1341 N PRO B 295 0.276 5.583 5.619 1.00 0.44 N ATOM 1342 CA PRO B 295 -0.628 4.415 5.607 1.00 0.43 C ATOM 1343 C PRO B 295 0.125 3.093 5.604 1.00 0.40 C ATOM 1344 O PRO B 295 -0.335 2.100 6.173 1.00 0.43 O ATOM 1345 CB PRO B 295 -1.409 4.595 4.302 1.00 0.50 C ATOM 1346 CG PRO B 295 -1.423 6.056 4.097 1.00 0.54 C ATOM 1347 CD PRO B 295 -0.081 6.540 4.564 1.00 0.53 C ATOM 0 HA PRO B 295 -1.256 4.374 6.497 1.00 0.43 H new ATOM 0 HB2 PRO B 295 -0.925 4.080 3.472 1.00 0.50 H new ATOM 0 HB3 PRO B 295 -2.419 4.193 4.382 1.00 0.50 H new ATOM 0 HG2 PRO B 295 -1.586 6.303 3.048 1.00 0.54 H new ATOM 0 HG3 PRO B 295 -2.228 6.524 4.664 1.00 0.54 H new ATOM 0 HD2 PRO B 295 0.650 6.539 3.756 1.00 0.53 H new ATOM 0 HD3 PRO B 295 -0.132 7.559 4.946 1.00 0.53 H new ATOM 1355 N LEU B 296 1.283 3.082 4.962 1.00 0.38 N ATOM 1356 CA LEU B 296 2.113 1.889 4.912 1.00 0.37 C ATOM 1357 C LEU B 296 2.671 1.578 6.303 1.00 0.39 C ATOM 1358 O LEU B 296 2.819 0.415 6.685 1.00 0.43 O ATOM 1359 CB LEU B 296 3.244 2.077 3.906 1.00 0.38 C ATOM 1360 CG LEU B 296 3.983 0.797 3.513 1.00 0.43 C ATOM 1361 CD1 LEU B 296 3.121 -0.048 2.592 1.00 0.46 C ATOM 1362 CD2 LEU B 296 5.311 1.132 2.861 1.00 0.56 C ATOM 0 H LEU B 296 1.669 3.887 4.468 1.00 0.38 H new ATOM 0 HA LEU B 296 1.503 1.045 4.589 1.00 0.37 H new ATOM 0 HB2 LEU B 296 2.835 2.533 3.004 1.00 0.38 H new ATOM 0 HB3 LEU B 296 3.965 2.781 4.321 1.00 0.38 H new ATOM 0 HG LEU B 296 4.186 0.218 4.414 1.00 0.43 H new ATOM 0 HD11 LEU B 296 3.660 -0.956 2.321 1.00 0.46 H new ATOM 0 HD12 LEU B 296 2.196 -0.314 3.103 1.00 0.46 H new ATOM 0 HD13 LEU B 296 2.888 0.519 1.691 1.00 0.46 H new ATOM 0 HD21 LEU B 296 5.825 0.210 2.587 1.00 0.56 H new ATOM 0 HD22 LEU B 296 5.137 1.730 1.966 1.00 0.56 H new ATOM 0 HD23 LEU B 296 5.927 1.697 3.560 1.00 0.56 H new ATOM 1374 N MET B 297 2.969 2.636 7.041 1.00 0.39 N ATOM 1375 CA MET B 297 3.469 2.515 8.406 1.00 0.42 C ATOM 1376 C MET B 297 2.337 2.022 9.299 1.00 0.41 C ATOM 1377 O MET B 297 2.554 1.201 10.192 1.00 0.45 O ATOM 1378 CB MET B 297 4.012 3.874 8.890 1.00 0.45 C ATOM 1379 CG MET B 297 4.199 3.984 10.396 1.00 0.81 C ATOM 1380 SD MET B 297 4.993 5.528 10.883 1.00 1.30 S ATOM 1381 CE MET B 297 4.755 5.458 12.656 1.00 1.79 C ATOM 0 H MET B 297 2.873 3.598 6.715 1.00 0.39 H new ATOM 0 HA MET B 297 4.289 1.798 8.446 1.00 0.42 H new ATOM 0 HB2 MET B 297 4.970 4.061 8.404 1.00 0.45 H new ATOM 0 HB3 MET B 297 3.330 4.659 8.564 1.00 0.45 H new ATOM 0 HG2 MET B 297 3.228 3.908 10.886 1.00 0.81 H new ATOM 0 HG3 MET B 297 4.799 3.144 10.747 1.00 0.81 H new ATOM 0 HE1 MET B 297 5.191 6.345 13.117 1.00 1.79 H new ATOM 0 HE2 MET B 297 3.689 5.420 12.879 1.00 1.79 H new ATOM 0 HE3 MET B 297 5.241 4.567 13.053 1.00 1.79 H new ATOM 1391 N ILE B 298 1.133 2.519 9.032 1.00 0.41 N ATOM 1392 CA ILE B 298 -0.055 2.094 9.760 1.00 0.43 C ATOM 1393 C ILE B 298 -0.253 0.604 9.519 1.00 0.44 C ATOM 1394 O ILE B 298 -0.616 -0.140 10.425 1.00 0.47 O ATOM 1395 CB ILE B 298 -1.303 2.879 9.293 1.00 0.45 C ATOM 1396 CG1 ILE B 298 -1.069 4.385 9.436 1.00 0.47 C ATOM 1397 CG2 ILE B 298 -2.546 2.458 10.073 1.00 0.50 C ATOM 1398 CD1 ILE B 298 -0.717 4.807 10.847 1.00 0.46 C ATOM 0 H ILE B 298 0.955 3.220 8.313 1.00 0.41 H new ATOM 0 HA ILE B 298 0.080 2.293 10.823 1.00 0.43 H new ATOM 0 HB ILE B 298 -1.472 2.646 8.242 1.00 0.45 H new ATOM 0 HG12 ILE B 298 -0.266 4.686 8.764 1.00 0.47 H new ATOM 0 HG13 ILE B 298 -1.966 4.916 9.119 1.00 0.47 H new ATOM 0 HG21 ILE B 298 -3.406 3.028 9.722 1.00 0.50 H new ATOM 0 HG22 ILE B 298 -2.728 1.394 9.920 1.00 0.50 H new ATOM 0 HG23 ILE B 298 -2.392 2.651 11.135 1.00 0.50 H new ATOM 0 HD11 ILE B 298 -0.565 5.886 10.877 1.00 0.46 H new ATOM 0 HD12 ILE B 298 -1.530 4.537 11.521 1.00 0.46 H new ATOM 0 HD13 ILE B 298 0.197 4.303 11.160 1.00 0.46 H new ATOM 1410 N LYS B 299 0.019 0.168 8.284 1.00 0.42 N ATOM 1411 CA LYS B 299 -0.075 -1.247 7.929 1.00 0.45 C ATOM 1412 C LYS B 299 0.882 -2.047 8.796 1.00 0.45 C ATOM 1413 O LYS B 299 0.567 -3.144 9.245 1.00 0.51 O ATOM 1414 CB LYS B 299 0.288 -1.476 6.451 1.00 0.45 C ATOM 1415 CG LYS B 299 0.033 -2.900 5.981 1.00 0.44 C ATOM 1416 CD LYS B 299 1.276 -3.596 5.411 1.00 0.45 C ATOM 1417 CE LYS B 299 2.378 -3.799 6.432 1.00 0.45 C ATOM 1418 NZ LYS B 299 3.740 -3.598 5.838 1.00 0.49 N ATOM 0 H LYS B 299 0.305 0.776 7.517 1.00 0.42 H new ATOM 0 HA LYS B 299 -1.103 -1.570 8.091 1.00 0.45 H new ATOM 0 HB2 LYS B 299 -0.288 -0.788 5.832 1.00 0.45 H new ATOM 0 HB3 LYS B 299 1.340 -1.235 6.301 1.00 0.45 H new ATOM 0 HG2 LYS B 299 -0.349 -3.486 6.817 1.00 0.44 H new ATOM 0 HG3 LYS B 299 -0.746 -2.887 5.219 1.00 0.44 H new ATOM 0 HD2 LYS B 299 0.986 -4.565 5.004 1.00 0.45 H new ATOM 0 HD3 LYS B 299 1.665 -3.006 4.581 1.00 0.45 H new ATOM 0 HE2 LYS B 299 2.238 -3.104 7.260 1.00 0.45 H new ATOM 0 HE3 LYS B 299 2.308 -4.805 6.845 1.00 0.45 H new ATOM 0 HZ1 LYS B 299 4.288 -4.478 5.919 1.00 0.49 H new ATOM 0 HZ2 LYS B 299 3.647 -3.340 4.835 1.00 0.49 H new ATOM 0 HZ3 LYS B 299 4.232 -2.836 6.347 1.00 0.49 H new ATOM 1432 N ARG B 300 2.064 -1.481 9.018 1.00 0.43 N ATOM 1433 CA ARG B 300 3.085 -2.126 9.834 1.00 0.47 C ATOM 1434 C ARG B 300 2.611 -2.252 11.277 1.00 0.50 C ATOM 1435 O ARG B 300 2.825 -3.279 11.924 1.00 0.54 O ATOM 1436 CB ARG B 300 4.382 -1.338 9.768 1.00 0.48 C ATOM 1437 CG ARG B 300 5.114 -1.500 8.441 1.00 1.11 C ATOM 1438 CD ARG B 300 6.524 -0.944 8.505 1.00 1.25 C ATOM 1439 NE ARG B 300 7.422 -1.627 7.580 1.00 1.44 N ATOM 1440 CZ ARG B 300 8.639 -1.191 7.278 1.00 1.91 C ATOM 1441 NH1 ARG B 300 9.086 -0.064 7.808 1.00 2.30 N ATOM 1442 NH2 ARG B 300 9.402 -1.887 6.438 1.00 2.44 N ATOM 0 H ARG B 300 2.339 -0.573 8.642 1.00 0.43 H new ATOM 0 HA ARG B 300 3.265 -3.127 9.443 1.00 0.47 H new ATOM 0 HB2 ARG B 300 4.167 -0.282 9.931 1.00 0.48 H new ATOM 0 HB3 ARG B 300 5.036 -1.659 10.579 1.00 0.48 H new ATOM 0 HG2 ARG B 300 5.151 -2.556 8.173 1.00 1.11 H new ATOM 0 HG3 ARG B 300 4.558 -0.991 7.654 1.00 1.11 H new ATOM 0 HD2 ARG B 300 6.505 0.121 8.273 1.00 1.25 H new ATOM 0 HD3 ARG B 300 6.907 -1.042 9.521 1.00 1.25 H new ATOM 0 HE ARG B 300 7.096 -2.488 7.141 1.00 1.44 H new ATOM 0 HH11 ARG B 300 8.496 0.468 8.447 1.00 2.30 H new ATOM 0 HH12 ARG B 300 10.021 0.273 7.577 1.00 2.30 H new ATOM 0 HH21 ARG B 300 9.051 -2.753 6.028 1.00 2.44 H new ATOM 0 HH22 ARG B 300 10.337 -1.555 6.204 1.00 2.44 H new ATOM 1456 N SER B 301 1.968 -1.200 11.766 1.00 0.50 N ATOM 1457 CA SER B 301 1.423 -1.189 13.116 1.00 0.55 C ATOM 1458 C SER B 301 0.343 -2.250 13.238 1.00 0.59 C ATOM 1459 O SER B 301 0.203 -2.899 14.271 1.00 0.66 O ATOM 1460 CB SER B 301 0.837 0.193 13.421 1.00 0.56 C ATOM 1461 OG SER B 301 1.787 1.217 13.186 1.00 0.59 O ATOM 0 H SER B 301 1.811 -0.338 11.244 1.00 0.50 H new ATOM 0 HA SER B 301 2.217 -1.405 13.831 1.00 0.55 H new ATOM 0 HB2 SER B 301 -0.044 0.362 12.802 1.00 0.56 H new ATOM 0 HB3 SER B 301 0.508 0.230 14.460 1.00 0.56 H new ATOM 0 HG SER B 301 1.931 1.315 12.222 1.00 0.59 H new ATOM 1467 N LYS B 302 -0.411 -2.438 12.167 1.00 0.58 N ATOM 1468 CA LYS B 302 -1.466 -3.437 12.148 1.00 0.65 C ATOM 1469 C LYS B 302 -0.854 -4.833 11.989 1.00 0.68 C ATOM 1470 O LYS B 302 -1.403 -5.822 12.476 1.00 0.76 O ATOM 1471 CB LYS B 302 -2.477 -3.152 11.019 1.00 0.66 C ATOM 1472 CG LYS B 302 -3.601 -4.178 10.939 1.00 1.21 C ATOM 1473 CD LYS B 302 -4.534 -4.102 12.139 1.00 1.38 C ATOM 1474 CE LYS B 302 -5.177 -5.454 12.427 1.00 2.10 C ATOM 1475 NZ LYS B 302 -4.176 -6.515 12.729 1.00 2.44 N ATOM 0 H LYS B 302 -0.312 -1.911 11.299 1.00 0.58 H new ATOM 0 HA LYS B 302 -2.006 -3.393 13.094 1.00 0.65 H new ATOM 0 HB2 LYS B 302 -2.909 -2.162 11.169 1.00 0.66 H new ATOM 0 HB3 LYS B 302 -1.949 -3.128 10.066 1.00 0.66 H new ATOM 0 HG2 LYS B 302 -4.173 -4.017 10.025 1.00 1.21 H new ATOM 0 HG3 LYS B 302 -3.174 -5.179 10.876 1.00 1.21 H new ATOM 0 HD2 LYS B 302 -3.977 -3.768 13.015 1.00 1.38 H new ATOM 0 HD3 LYS B 302 -5.310 -3.360 11.952 1.00 1.38 H new ATOM 0 HE2 LYS B 302 -5.860 -5.354 13.271 1.00 2.10 H new ATOM 0 HE3 LYS B 302 -5.774 -5.758 11.567 1.00 2.10 H new ATOM 0 HZ1 LYS B 302 -4.411 -7.376 12.196 1.00 2.44 H new ATOM 0 HZ2 LYS B 302 -3.228 -6.186 12.455 1.00 2.44 H new ATOM 0 HZ3 LYS B 302 -4.189 -6.724 13.748 1.00 2.44 H new ATOM 1489 N LYS B 303 0.284 -4.894 11.307 1.00 0.62 N ATOM 1490 CA LYS B 303 0.997 -6.151 11.091 1.00 0.65 C ATOM 1491 C LYS B 303 1.558 -6.632 12.422 1.00 0.72 C ATOM 1492 O LYS B 303 1.627 -7.830 12.696 1.00 0.82 O ATOM 1493 CB LYS B 303 2.133 -5.949 10.070 1.00 0.58 C ATOM 1494 CG LYS B 303 2.840 -7.227 9.638 1.00 0.55 C ATOM 1495 CD LYS B 303 4.340 -7.008 9.520 1.00 0.66 C ATOM 1496 CE LYS B 303 5.062 -8.214 8.922 1.00 0.77 C ATOM 1497 NZ LYS B 303 4.988 -8.225 7.439 1.00 0.70 N ATOM 0 H LYS B 303 0.737 -4.081 10.890 1.00 0.62 H new ATOM 0 HA LYS B 303 0.312 -6.900 10.693 1.00 0.65 H new ATOM 0 HB2 LYS B 303 1.725 -5.460 9.186 1.00 0.58 H new ATOM 0 HB3 LYS B 303 2.870 -5.270 10.498 1.00 0.58 H new ATOM 0 HG2 LYS B 303 2.640 -8.019 10.360 1.00 0.55 H new ATOM 0 HG3 LYS B 303 2.441 -7.561 8.680 1.00 0.55 H new ATOM 0 HD2 LYS B 303 4.528 -6.132 8.900 1.00 0.66 H new ATOM 0 HD3 LYS B 303 4.752 -6.795 10.507 1.00 0.66 H new ATOM 0 HE2 LYS B 303 6.107 -8.203 9.233 1.00 0.77 H new ATOM 0 HE3 LYS B 303 4.623 -9.131 9.314 1.00 0.77 H new ATOM 0 HZ1 LYS B 303 5.639 -8.945 7.064 1.00 0.70 H new ATOM 0 HZ2 LYS B 303 4.017 -8.448 7.142 1.00 0.70 H new ATOM 0 HZ3 LYS B 303 5.257 -7.290 7.071 1.00 0.70 H new ATOM 1511 N ASN B 304 1.951 -5.664 13.236 1.00 0.69 N ATOM 1512 CA ASN B 304 2.497 -5.923 14.563 1.00 0.78 C ATOM 1513 C ASN B 304 1.373 -6.291 15.530 1.00 0.88 C ATOM 1514 O ASN B 304 1.517 -7.181 16.365 1.00 1.04 O ATOM 1515 CB ASN B 304 3.243 -4.677 15.064 1.00 0.78 C ATOM 1516 CG ASN B 304 3.895 -4.890 16.421 1.00 0.92 C ATOM 1517 OD1 ASN B 304 3.288 -4.635 17.456 1.00 1.13 O ATOM 1518 ND2 ASN B 304 5.129 -5.365 16.425 1.00 1.16 N ATOM 0 H ASN B 304 1.901 -4.674 12.996 1.00 0.69 H new ATOM 0 HA ASN B 304 3.195 -6.759 14.508 1.00 0.78 H new ATOM 0 HB2 ASN B 304 4.007 -4.399 14.338 1.00 0.78 H new ATOM 0 HB3 ASN B 304 2.545 -3.842 15.128 1.00 0.78 H new ATOM 0 HD21 ASN B 304 5.609 -5.531 17.310 1.00 1.16 H new ATOM 0 HD22 ASN B 304 5.601 -5.565 15.543 1.00 1.16 H new ATOM 1525 N SER B 305 0.253 -5.597 15.411 1.00 0.82 N ATOM 1526 CA SER B 305 -0.908 -5.841 16.257 1.00 0.93 C ATOM 1527 C SER B 305 -1.811 -6.931 15.669 1.00 1.13 C ATOM 1528 O SER B 305 -1.498 -8.127 15.844 1.00 1.39 O ATOM 1529 CB SER B 305 -1.700 -4.553 16.424 1.00 0.87 C ATOM 1530 OG SER B 305 -0.845 -3.461 16.725 1.00 1.00 O ATOM 1531 OXT SER B 305 -2.831 -6.586 15.032 1.00 1.26 O ATOM 0 H SER B 305 0.121 -4.851 14.728 1.00 0.82 H new ATOM 0 HA SER B 305 -0.552 -6.185 17.228 1.00 0.93 H new ATOM 0 HB2 SER B 305 -2.255 -4.343 15.510 1.00 0.87 H new ATOM 0 HB3 SER B 305 -2.434 -4.675 17.221 1.00 0.87 H new ATOM 0 HG SER B 305 -0.303 -3.243 15.938 1.00 1.00 H new