USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 793 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 362 CYS SG : rot 124:sc= 1.24 USER MOD Set 1.2: A 371 CYS SG : rot 180:sc= 1.02 USER MOD Set 2.1: A 347 GLN : amide:sc= -5.69! C(o=-4.5!,f=-13!) USER MOD Set 2.2: A 349 LYS NZ :NH3+ 158:sc= 1.19 (180deg=-0.144) USER MOD Set 3.1: A 338 CYS SG : rot 180:sc= -0.0831 USER MOD Set 3.2: A 342 THR OG1 : rot -140:sc= -0.0155 USER MOD Set 4.1: A 307 CYS SG : rot 180:sc= 0.236 USER MOD Set 4.2: A 310 THR OG1 : rot -90:sc= 0.75 USER MOD Set 4.3: A 325 GLN :FLIP amide:sc= 0.308 F(o=-0.11,f=1.7) USER MOD Set 4.4: A 343 THR OG1 : rot 180:sc= 0.373 USER MOD Single : A 279 MET CE :methyl -176:sc= -0.991 (180deg=-1.01) USER MOD Single : A 281 ASN : amide:sc= -0.056 X(o=-0.056,f=-0.13) USER MOD Single : A 286 LYS NZ :NH3+ -146:sc= -2.31! (180deg=-4.05!) USER MOD Single : A 287 ASN : amide:sc= -1.11 X(o=-1.1,f=-1.5!) USER MOD Single : A 289 SER OG : rot 130:sc= -2.32! USER MOD Single : A 290 TYR OH : rot 180:sc= 0 USER MOD Single : A 292 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 296 SER OG : rot 180:sc= 0 USER MOD Single : A 300 HIS : no HE2:sc= -0.147 K(o=-0.15,f=-5.9!) USER MOD Single : A 302 TYR OH : rot 4:sc= 1.85 USER MOD Single : A 304 LYS NZ :NH3+ 164:sc= -0.0286 (180deg=-0.235) USER MOD Single : A 311 SER OG : rot 26:sc= -0.674 USER MOD Single : A 318 GLN :FLIP amide:sc= -0.353 F(o=-1.3,f=-0.35) USER MOD Single : A 321 THR OG1 : rot -142:sc= -1.87! USER MOD Single : A 326 THR OG1 : rot 17:sc= 0.578 USER MOD Single : A 330 ASN : amide:sc= -0.186 K(o=-0.19,f=-0.97) USER MOD Single : A 335 HIS : no HD1:sc= -0.224 X(o=-0.22,f=0) USER MOD Single : A 341 HIS : no HE2:sc= 0.104 K(o=0.1,f=-0.86) USER MOD Single : A 352 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 358 GLN : amide:sc= -0.0806 X(o=-0.081,f=-0.081) USER MOD Single : A 359 CYS SG : rot 51:sc= 0.955 USER MOD Single : A 360 THR OG1 : rot 180:sc= -0.374 USER MOD Single : A 364 THR OG1 : rot 1:sc= -0.234 USER MOD Single : A 366 SER OG : rot 180:sc= 0 USER MOD Single : A 374 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 86 N MET A 279 13.699 -7.964 5.599 1.00 1.31 N ATOM 87 CA MET A 279 12.663 -6.965 5.415 1.00 1.10 C ATOM 88 C MET A 279 12.673 -5.956 6.558 1.00 0.93 C ATOM 89 O MET A 279 12.599 -6.335 7.728 1.00 1.07 O ATOM 90 CB MET A 279 11.311 -7.670 5.357 1.00 1.39 C ATOM 91 CG MET A 279 11.203 -8.699 4.246 1.00 1.65 C ATOM 92 SD MET A 279 11.453 -7.981 2.617 1.00 2.18 S ATOM 93 CE MET A 279 11.615 -9.464 1.628 1.00 2.66 C ATOM 0 HA MET A 279 12.846 -6.424 4.487 1.00 1.10 H new ATOM 0 HB2 MET A 279 11.126 -8.160 6.313 1.00 1.39 H new ATOM 0 HB3 MET A 279 10.528 -6.923 5.225 1.00 1.39 H new ATOM 0 HG2 MET A 279 11.940 -9.485 4.410 1.00 1.65 H new ATOM 0 HG3 MET A 279 10.221 -9.170 4.285 1.00 1.65 H new ATOM 0 HE1 MET A 279 11.847 -9.191 0.598 1.00 2.66 H new ATOM 0 HE2 MET A 279 12.418 -10.083 2.029 1.00 2.66 H new ATOM 0 HE3 MET A 279 10.679 -10.022 1.654 1.00 2.66 H new ATOM 103 N VAL A 280 12.737 -4.676 6.220 1.00 0.76 N ATOM 104 CA VAL A 280 12.794 -3.621 7.225 1.00 0.74 C ATOM 105 C VAL A 280 11.414 -3.033 7.472 1.00 0.70 C ATOM 106 O VAL A 280 10.644 -2.803 6.536 1.00 0.67 O ATOM 107 CB VAL A 280 13.766 -2.493 6.831 1.00 0.81 C ATOM 108 CG1 VAL A 280 13.908 -1.502 7.975 1.00 1.05 C ATOM 109 CG2 VAL A 280 15.121 -3.062 6.445 1.00 1.12 C ATOM 0 H VAL A 280 12.751 -4.341 5.257 1.00 0.76 H new ATOM 0 HA VAL A 280 13.163 -4.084 8.140 1.00 0.74 H new ATOM 0 HB VAL A 280 13.359 -1.971 5.965 1.00 0.81 H new ATOM 0 HG11 VAL A 280 14.597 -0.709 7.686 1.00 1.05 H new ATOM 0 HG12 VAL A 280 12.934 -1.070 8.205 1.00 1.05 H new ATOM 0 HG13 VAL A 280 14.295 -2.015 8.855 1.00 1.05 H new ATOM 0 HG21 VAL A 280 15.792 -2.248 6.170 1.00 1.12 H new ATOM 0 HG22 VAL A 280 15.540 -3.609 7.290 1.00 1.12 H new ATOM 0 HG23 VAL A 280 15.004 -3.738 5.598 1.00 1.12 H new ATOM 119 N ASN A 281 11.103 -2.820 8.740 1.00 0.81 N ATOM 120 CA ASN A 281 9.795 -2.310 9.138 1.00 0.93 C ATOM 121 C ASN A 281 9.783 -0.788 9.182 1.00 0.99 C ATOM 122 O ASN A 281 10.710 -0.161 9.701 1.00 1.10 O ATOM 123 CB ASN A 281 9.379 -2.851 10.513 1.00 1.15 C ATOM 124 CG ASN A 281 8.958 -4.309 10.485 1.00 1.53 C ATOM 125 OD1 ASN A 281 7.832 -4.629 10.111 1.00 2.16 O ATOM 126 ND2 ASN A 281 9.832 -5.200 10.927 1.00 1.69 N ATOM 0 H ASN A 281 11.740 -2.993 9.517 1.00 0.81 H new ATOM 0 HA ASN A 281 9.083 -2.653 8.387 1.00 0.93 H new ATOM 0 HB2 ASN A 281 10.211 -2.734 11.208 1.00 1.15 H new ATOM 0 HB3 ASN A 281 8.555 -2.250 10.898 1.00 1.15 H new ATOM 0 HD21 ASN A 281 9.579 -6.187 10.965 1.00 1.69 H new ATOM 0 HD22 ASN A 281 10.758 -4.899 11.230 1.00 1.69 H new ATOM 133 N LEU A 282 8.740 -0.203 8.616 1.00 1.02 N ATOM 134 CA LEU A 282 8.488 1.226 8.750 1.00 1.17 C ATOM 135 C LEU A 282 7.162 1.424 9.475 1.00 1.50 C ATOM 136 O LEU A 282 6.144 0.859 9.076 1.00 1.60 O ATOM 137 CB LEU A 282 8.440 1.896 7.372 1.00 1.26 C ATOM 138 CG LEU A 282 9.298 3.160 7.211 1.00 1.63 C ATOM 139 CD1 LEU A 282 8.850 4.251 8.170 1.00 2.23 C ATOM 140 CD2 LEU A 282 10.769 2.837 7.423 1.00 2.25 C ATOM 0 H LEU A 282 8.048 -0.699 8.054 1.00 1.02 H new ATOM 0 HA LEU A 282 9.295 1.685 9.321 1.00 1.17 H new ATOM 0 HB2 LEU A 282 8.756 1.168 6.624 1.00 1.26 H new ATOM 0 HB3 LEU A 282 7.404 2.153 7.150 1.00 1.26 H new ATOM 0 HG LEU A 282 9.166 3.529 6.194 1.00 1.63 H new ATOM 0 HD11 LEU A 282 9.475 5.134 8.034 1.00 2.23 H new ATOM 0 HD12 LEU A 282 7.810 4.508 7.969 1.00 2.23 H new ATOM 0 HD13 LEU A 282 8.944 3.895 9.196 1.00 2.23 H new ATOM 0 HD21 LEU A 282 11.361 3.744 7.305 1.00 2.25 H new ATOM 0 HD22 LEU A 282 10.913 2.438 8.427 1.00 2.25 H new ATOM 0 HD23 LEU A 282 11.088 2.097 6.689 1.00 2.25 H new ATOM 152 N ALA A 283 7.175 2.217 10.536 1.00 1.76 N ATOM 153 CA ALA A 283 5.987 2.402 11.357 1.00 2.22 C ATOM 154 C ALA A 283 5.168 3.592 10.872 1.00 2.03 C ATOM 155 O ALA A 283 3.994 3.735 11.218 1.00 2.38 O ATOM 156 CB ALA A 283 6.378 2.580 12.816 1.00 2.73 C ATOM 0 H ALA A 283 7.992 2.741 10.848 1.00 1.76 H new ATOM 0 HA ALA A 283 5.367 1.510 11.268 1.00 2.22 H new ATOM 0 HB1 ALA A 283 5.480 2.717 13.419 1.00 2.73 H new ATOM 0 HB2 ALA A 283 6.914 1.695 13.160 1.00 2.73 H new ATOM 0 HB3 ALA A 283 7.020 3.455 12.916 1.00 2.73 H new ATOM 162 N PHE A 284 5.787 4.439 10.067 1.00 1.59 N ATOM 163 CA PHE A 284 5.110 5.601 9.528 1.00 1.53 C ATOM 164 C PHE A 284 4.879 5.418 8.035 1.00 1.13 C ATOM 165 O PHE A 284 5.796 5.059 7.296 1.00 1.03 O ATOM 166 CB PHE A 284 5.934 6.862 9.792 1.00 1.81 C ATOM 167 CG PHE A 284 5.255 8.131 9.353 1.00 2.26 C ATOM 168 CD1 PHE A 284 4.260 8.701 10.132 1.00 2.47 C ATOM 169 CD2 PHE A 284 5.608 8.754 8.166 1.00 2.90 C ATOM 170 CE1 PHE A 284 3.628 9.864 9.735 1.00 3.09 C ATOM 171 CE2 PHE A 284 4.980 9.918 7.764 1.00 3.64 C ATOM 172 CZ PHE A 284 3.988 10.474 8.550 1.00 3.67 C ATOM 0 H PHE A 284 6.759 4.341 9.773 1.00 1.59 H new ATOM 0 HA PHE A 284 4.144 5.711 10.021 1.00 1.53 H new ATOM 0 HB2 PHE A 284 6.151 6.927 10.858 1.00 1.81 H new ATOM 0 HB3 PHE A 284 6.890 6.775 9.276 1.00 1.81 H new ATOM 0 HD1 PHE A 284 3.975 8.230 11.061 1.00 2.47 H new ATOM 0 HD2 PHE A 284 6.383 8.325 7.548 1.00 2.90 H new ATOM 0 HE1 PHE A 284 2.853 10.295 10.351 1.00 3.09 H new ATOM 0 HE2 PHE A 284 5.264 10.393 6.836 1.00 3.64 H new ATOM 0 HZ PHE A 284 3.496 11.383 8.238 1.00 3.67 H new ATOM 182 N VAL A 285 3.658 5.664 7.595 1.00 1.30 N ATOM 183 CA VAL A 285 3.310 5.481 6.196 1.00 1.38 C ATOM 184 C VAL A 285 2.974 6.816 5.531 1.00 1.22 C ATOM 185 O VAL A 285 2.152 7.593 6.028 1.00 1.39 O ATOM 186 CB VAL A 285 2.131 4.487 6.033 1.00 2.05 C ATOM 187 CG1 VAL A 285 0.922 4.921 6.851 1.00 2.59 C ATOM 188 CG2 VAL A 285 1.760 4.326 4.566 1.00 2.69 C ATOM 0 H VAL A 285 2.892 5.990 8.184 1.00 1.30 H new ATOM 0 HA VAL A 285 4.183 5.059 5.698 1.00 1.38 H new ATOM 0 HB VAL A 285 2.458 3.519 6.413 1.00 2.05 H new ATOM 0 HG11 VAL A 285 0.113 4.203 6.714 1.00 2.59 H new ATOM 0 HG12 VAL A 285 1.193 4.966 7.906 1.00 2.59 H new ATOM 0 HG13 VAL A 285 0.593 5.906 6.519 1.00 2.59 H new ATOM 0 HG21 VAL A 285 0.931 3.624 4.475 1.00 2.69 H new ATOM 0 HG22 VAL A 285 1.464 5.292 4.157 1.00 2.69 H new ATOM 0 HG23 VAL A 285 2.619 3.946 4.013 1.00 2.69 H new ATOM 198 N LYS A 286 3.640 7.087 4.417 1.00 1.31 N ATOM 199 CA LYS A 286 3.346 8.259 3.608 1.00 1.26 C ATOM 200 C LYS A 286 2.145 8.003 2.724 1.00 1.13 C ATOM 201 O LYS A 286 2.275 7.432 1.646 1.00 1.17 O ATOM 202 CB LYS A 286 4.549 8.640 2.741 1.00 1.49 C ATOM 203 CG LYS A 286 5.279 7.462 2.153 1.00 1.93 C ATOM 204 CD LYS A 286 6.693 7.823 1.707 1.00 2.42 C ATOM 205 CE LYS A 286 7.656 7.976 2.881 1.00 3.19 C ATOM 206 NZ LYS A 286 7.423 9.224 3.659 1.00 3.44 N ATOM 0 H LYS A 286 4.394 6.505 4.052 1.00 1.31 H new ATOM 0 HA LYS A 286 3.125 9.085 4.284 1.00 1.26 H new ATOM 0 HB2 LYS A 286 4.210 9.285 1.931 1.00 1.49 H new ATOM 0 HB3 LYS A 286 5.247 9.223 3.342 1.00 1.49 H new ATOM 0 HG2 LYS A 286 5.326 6.661 2.891 1.00 1.93 H new ATOM 0 HG3 LYS A 286 4.718 7.078 1.301 1.00 1.93 H new ATOM 0 HD2 LYS A 286 7.066 7.051 1.034 1.00 2.42 H new ATOM 0 HD3 LYS A 286 6.665 8.754 1.141 1.00 2.42 H new ATOM 0 HE2 LYS A 286 7.554 7.116 3.543 1.00 3.19 H new ATOM 0 HE3 LYS A 286 8.680 7.972 2.508 1.00 3.19 H new ATOM 0 HZ1 LYS A 286 8.331 9.585 4.016 1.00 3.44 H new ATOM 0 HZ2 LYS A 286 6.984 9.939 3.045 1.00 3.44 H new ATOM 0 HZ3 LYS A 286 6.792 9.021 4.460 1.00 3.44 H new ATOM 220 N ASN A 287 0.970 8.389 3.186 1.00 1.17 N ATOM 221 CA ASN A 287 -0.220 8.279 2.362 1.00 1.09 C ATOM 222 C ASN A 287 -1.314 9.218 2.848 1.00 1.11 C ATOM 223 O ASN A 287 -1.307 9.652 4.002 1.00 1.23 O ATOM 224 CB ASN A 287 -0.726 6.826 2.312 1.00 1.09 C ATOM 225 CG ASN A 287 -1.513 6.376 3.539 1.00 1.11 C ATOM 226 OD1 ASN A 287 -2.446 5.584 3.424 1.00 1.17 O ATOM 227 ND2 ASN A 287 -1.134 6.841 4.718 1.00 1.26 N ATOM 0 H ASN A 287 0.814 8.777 4.116 1.00 1.17 H new ATOM 0 HA ASN A 287 0.050 8.576 1.349 1.00 1.09 H new ATOM 0 HB2 ASN A 287 -1.356 6.706 1.431 1.00 1.09 H new ATOM 0 HB3 ASN A 287 0.130 6.163 2.184 1.00 1.09 H new ATOM 0 HD21 ASN A 287 -1.620 6.543 5.564 1.00 1.26 H new ATOM 0 HD22 ASN A 287 -0.356 7.497 4.781 1.00 1.26 H new ATOM 234 N ASP A 288 -2.218 9.559 1.948 1.00 1.04 N ATOM 235 CA ASP A 288 -3.423 10.297 2.301 1.00 1.09 C ATOM 236 C ASP A 288 -4.626 9.504 1.825 1.00 0.97 C ATOM 237 O ASP A 288 -4.621 8.985 0.708 1.00 0.86 O ATOM 238 CB ASP A 288 -3.437 11.689 1.653 1.00 1.20 C ATOM 239 CG ASP A 288 -2.460 12.668 2.287 1.00 1.62 C ATOM 240 OD1 ASP A 288 -2.892 13.512 3.098 1.00 2.36 O ATOM 241 OD2 ASP A 288 -1.245 12.574 2.004 1.00 1.76 O ATOM 0 H ASP A 288 -2.141 9.335 0.956 1.00 1.04 H new ATOM 0 HA ASP A 288 -3.451 10.433 3.382 1.00 1.09 H new ATOM 0 HB2 ASP A 288 -3.202 11.589 0.593 1.00 1.20 H new ATOM 0 HB3 ASP A 288 -4.444 12.101 1.719 1.00 1.20 H new ATOM 246 N SER A 289 -5.647 9.410 2.656 1.00 1.02 N ATOM 247 CA SER A 289 -6.825 8.638 2.308 1.00 0.94 C ATOM 248 C SER A 289 -8.007 9.551 2.062 1.00 1.05 C ATOM 249 O SER A 289 -8.133 10.606 2.680 1.00 1.23 O ATOM 250 CB SER A 289 -7.184 7.663 3.420 1.00 1.03 C ATOM 251 OG SER A 289 -8.086 6.668 2.968 1.00 1.42 O ATOM 0 H SER A 289 -5.685 9.856 3.572 1.00 1.02 H new ATOM 0 HA SER A 289 -6.595 8.082 1.399 1.00 0.94 H new ATOM 0 HB2 SER A 289 -6.277 7.189 3.797 1.00 1.03 H new ATOM 0 HB3 SER A 289 -7.629 8.207 4.253 1.00 1.03 H new ATOM 0 HG SER A 289 -7.749 5.783 3.219 1.00 1.42 H new ATOM 257 N TYR A 290 -8.877 9.094 1.190 1.00 0.98 N ATOM 258 CA TYR A 290 -10.078 9.821 0.796 1.00 1.15 C ATOM 259 C TYR A 290 -11.194 8.829 0.538 1.00 1.07 C ATOM 260 O TYR A 290 -10.957 7.756 -0.012 1.00 0.92 O ATOM 261 CB TYR A 290 -9.862 10.618 -0.491 1.00 1.28 C ATOM 262 CG TYR A 290 -9.416 12.060 -0.320 1.00 1.44 C ATOM 263 CD1 TYR A 290 -9.034 12.569 0.912 1.00 1.83 C ATOM 264 CD2 TYR A 290 -9.388 12.914 -1.413 1.00 1.76 C ATOM 265 CE1 TYR A 290 -8.635 13.886 1.051 1.00 2.48 C ATOM 266 CE2 TYR A 290 -8.991 14.230 -1.284 1.00 2.20 C ATOM 267 CZ TYR A 290 -8.614 14.711 -0.051 1.00 2.56 C ATOM 268 OH TYR A 290 -8.217 16.024 0.079 1.00 3.25 O ATOM 0 H TYR A 290 -8.775 8.193 0.723 1.00 0.98 H new ATOM 0 HA TYR A 290 -10.327 10.509 1.604 1.00 1.15 H new ATOM 0 HB2 TYR A 290 -9.118 10.099 -1.095 1.00 1.28 H new ATOM 0 HB3 TYR A 290 -10.793 10.612 -1.058 1.00 1.28 H new ATOM 0 HD1 TYR A 290 -9.048 11.925 1.779 1.00 1.83 H new ATOM 0 HD2 TYR A 290 -9.682 12.542 -2.383 1.00 1.76 H new ATOM 0 HE1 TYR A 290 -8.342 14.265 2.019 1.00 2.48 H new ATOM 0 HE2 TYR A 290 -8.976 14.879 -2.147 1.00 2.20 H new ATOM 0 HH TYR A 290 -8.259 16.466 -0.794 1.00 3.25 H new ATOM 278 N GLU A 291 -12.407 9.186 0.897 1.00 1.23 N ATOM 279 CA GLU A 291 -13.541 8.315 0.658 1.00 1.20 C ATOM 280 C GLU A 291 -14.463 8.925 -0.376 1.00 1.30 C ATOM 281 O GLU A 291 -15.243 9.829 -0.081 1.00 1.51 O ATOM 282 CB GLU A 291 -14.292 8.023 1.952 1.00 1.33 C ATOM 283 CG GLU A 291 -13.589 6.999 2.818 1.00 1.29 C ATOM 284 CD GLU A 291 -14.376 6.654 4.063 1.00 1.48 C ATOM 285 OE1 GLU A 291 -13.965 7.068 5.166 1.00 1.75 O ATOM 286 OE2 GLU A 291 -15.415 5.970 3.942 1.00 1.50 O ATOM 0 H GLU A 291 -12.635 10.069 1.354 1.00 1.23 H new ATOM 0 HA GLU A 291 -13.168 7.366 0.272 1.00 1.20 H new ATOM 0 HB2 GLU A 291 -14.411 8.949 2.515 1.00 1.33 H new ATOM 0 HB3 GLU A 291 -15.293 7.665 1.713 1.00 1.33 H new ATOM 0 HG2 GLU A 291 -13.419 6.093 2.237 1.00 1.29 H new ATOM 0 HG3 GLU A 291 -12.610 7.382 3.106 1.00 1.29 H new ATOM 293 N LYS A 292 -14.360 8.421 -1.590 1.00 1.22 N ATOM 294 CA LYS A 292 -15.120 8.963 -2.707 1.00 1.37 C ATOM 295 C LYS A 292 -15.911 7.865 -3.379 1.00 1.44 C ATOM 296 O LYS A 292 -15.353 6.869 -3.835 1.00 1.37 O ATOM 297 CB LYS A 292 -14.203 9.669 -3.712 1.00 1.38 C ATOM 298 CG LYS A 292 -13.575 10.939 -3.159 1.00 1.71 C ATOM 299 CD LYS A 292 -12.873 11.741 -4.241 1.00 1.63 C ATOM 300 CE LYS A 292 -12.340 13.055 -3.691 1.00 2.40 C ATOM 301 NZ LYS A 292 -11.688 13.877 -4.744 1.00 2.97 N ATOM 0 H LYS A 292 -13.757 7.635 -1.832 1.00 1.22 H new ATOM 0 HA LYS A 292 -15.816 9.707 -2.319 1.00 1.37 H new ATOM 0 HB2 LYS A 292 -13.413 8.983 -4.017 1.00 1.38 H new ATOM 0 HB3 LYS A 292 -14.775 9.914 -4.607 1.00 1.38 H new ATOM 0 HG2 LYS A 292 -14.347 11.553 -2.695 1.00 1.71 H new ATOM 0 HG3 LYS A 292 -12.860 10.680 -2.378 1.00 1.71 H new ATOM 0 HD2 LYS A 292 -12.051 11.157 -4.655 1.00 1.63 H new ATOM 0 HD3 LYS A 292 -13.566 11.940 -5.058 1.00 1.63 H new ATOM 0 HE2 LYS A 292 -13.159 13.620 -3.245 1.00 2.40 H new ATOM 0 HE3 LYS A 292 -11.624 12.851 -2.895 1.00 2.40 H new ATOM 0 HZ1 LYS A 292 -11.339 14.763 -4.326 1.00 2.97 H new ATOM 0 HZ2 LYS A 292 -10.890 13.349 -5.152 1.00 2.97 H new ATOM 0 HZ3 LYS A 292 -12.378 14.095 -5.491 1.00 2.97 H new ATOM 315 N GLY A 293 -17.211 8.065 -3.446 1.00 1.62 N ATOM 316 CA GLY A 293 -18.102 7.015 -3.870 1.00 1.74 C ATOM 317 C GLY A 293 -18.914 6.505 -2.699 1.00 1.68 C ATOM 318 O GLY A 293 -18.466 6.591 -1.556 1.00 1.58 O ATOM 0 H GLY A 293 -17.670 8.945 -3.212 1.00 1.62 H new ATOM 0 HA2 GLY A 293 -18.769 7.387 -4.648 1.00 1.74 H new ATOM 0 HA3 GLY A 293 -17.529 6.197 -4.306 1.00 1.74 H new ATOM 322 N PRO A 294 -20.119 5.979 -2.944 1.00 1.87 N ATOM 323 CA PRO A 294 -21.012 5.526 -1.871 1.00 1.90 C ATOM 324 C PRO A 294 -20.370 4.482 -0.957 1.00 1.70 C ATOM 325 O PRO A 294 -20.519 4.543 0.262 1.00 1.75 O ATOM 326 CB PRO A 294 -22.199 4.916 -2.627 1.00 2.19 C ATOM 327 CG PRO A 294 -22.167 5.550 -3.974 1.00 2.44 C ATOM 328 CD PRO A 294 -20.717 5.803 -4.276 1.00 2.18 C ATOM 0 HA PRO A 294 -21.282 6.346 -1.206 1.00 1.90 H new ATOM 0 HB2 PRO A 294 -22.106 3.832 -2.699 1.00 2.19 H new ATOM 0 HB3 PRO A 294 -23.140 5.122 -2.116 1.00 2.19 H new ATOM 0 HG2 PRO A 294 -22.614 4.897 -4.724 1.00 2.44 H new ATOM 0 HG3 PRO A 294 -22.736 6.480 -3.982 1.00 2.44 H new ATOM 0 HD2 PRO A 294 -20.266 4.968 -4.812 1.00 2.18 H new ATOM 0 HD3 PRO A 294 -20.584 6.689 -4.897 1.00 2.18 H new ATOM 336 N ASP A 295 -19.652 3.537 -1.546 1.00 1.64 N ATOM 337 CA ASP A 295 -19.075 2.436 -0.790 1.00 1.65 C ATOM 338 C ASP A 295 -17.584 2.395 -1.058 1.00 1.41 C ATOM 339 O ASP A 295 -16.875 1.457 -0.696 1.00 1.47 O ATOM 340 CB ASP A 295 -19.749 1.131 -1.205 1.00 2.02 C ATOM 341 CG ASP A 295 -19.545 0.006 -0.212 1.00 2.30 C ATOM 342 OD1 ASP A 295 -19.140 -1.091 -0.634 1.00 2.45 O ATOM 343 OD2 ASP A 295 -19.820 0.210 0.994 1.00 2.60 O ATOM 0 H ASP A 295 -19.455 3.511 -2.546 1.00 1.64 H new ATOM 0 HA ASP A 295 -19.236 2.574 0.279 1.00 1.65 H new ATOM 0 HB2 ASP A 295 -20.818 1.306 -1.330 1.00 2.02 H new ATOM 0 HB3 ASP A 295 -19.361 0.823 -2.176 1.00 2.02 H new ATOM 348 N SER A 296 -17.129 3.445 -1.709 1.00 1.29 N ATOM 349 CA SER A 296 -15.845 3.444 -2.369 1.00 1.13 C ATOM 350 C SER A 296 -14.847 4.380 -1.684 1.00 0.97 C ATOM 351 O SER A 296 -15.222 5.414 -1.133 1.00 1.04 O ATOM 352 CB SER A 296 -16.079 3.856 -3.816 1.00 1.27 C ATOM 353 OG SER A 296 -17.336 3.377 -4.282 1.00 1.59 O ATOM 0 H SER A 296 -17.641 4.323 -1.794 1.00 1.29 H new ATOM 0 HA SER A 296 -15.404 2.448 -2.318 1.00 1.13 H new ATOM 0 HB2 SER A 296 -16.045 4.942 -3.899 1.00 1.27 H new ATOM 0 HB3 SER A 296 -15.280 3.463 -4.444 1.00 1.27 H new ATOM 0 HG SER A 296 -17.467 3.654 -5.213 1.00 1.59 H new ATOM 359 N VAL A 297 -13.575 3.993 -1.713 1.00 0.82 N ATOM 360 CA VAL A 297 -12.523 4.744 -1.045 1.00 0.74 C ATOM 361 C VAL A 297 -11.207 4.662 -1.827 1.00 0.63 C ATOM 362 O VAL A 297 -10.806 3.586 -2.271 1.00 0.60 O ATOM 363 CB VAL A 297 -12.346 4.228 0.393 1.00 0.79 C ATOM 364 CG1 VAL A 297 -12.182 2.715 0.420 1.00 1.03 C ATOM 365 CG2 VAL A 297 -11.176 4.897 1.093 1.00 1.12 C ATOM 0 H VAL A 297 -13.249 3.156 -2.197 1.00 0.82 H new ATOM 0 HA VAL A 297 -12.814 5.794 -1.005 1.00 0.74 H new ATOM 0 HB VAL A 297 -13.255 4.488 0.936 1.00 0.79 H new ATOM 0 HG11 VAL A 297 -12.059 2.381 1.450 1.00 1.03 H new ATOM 0 HG12 VAL A 297 -13.066 2.245 -0.011 1.00 1.03 H new ATOM 0 HG13 VAL A 297 -11.303 2.434 -0.160 1.00 1.03 H new ATOM 0 HG21 VAL A 297 -11.085 4.505 2.106 1.00 1.12 H new ATOM 0 HG22 VAL A 297 -10.258 4.694 0.542 1.00 1.12 H new ATOM 0 HG23 VAL A 297 -11.344 5.973 1.134 1.00 1.12 H new ATOM 375 N VAL A 298 -10.555 5.801 -2.019 1.00 0.70 N ATOM 376 CA VAL A 298 -9.313 5.856 -2.771 1.00 0.65 C ATOM 377 C VAL A 298 -8.202 6.527 -1.961 1.00 0.62 C ATOM 378 O VAL A 298 -8.364 7.634 -1.445 1.00 0.73 O ATOM 379 CB VAL A 298 -9.511 6.567 -4.131 1.00 0.78 C ATOM 380 CG1 VAL A 298 -10.385 7.805 -3.983 1.00 0.96 C ATOM 381 CG2 VAL A 298 -8.174 6.929 -4.754 1.00 0.81 C ATOM 0 H VAL A 298 -10.870 6.703 -1.661 1.00 0.70 H new ATOM 0 HA VAL A 298 -9.007 4.829 -2.972 1.00 0.65 H new ATOM 0 HB VAL A 298 -10.022 5.871 -4.796 1.00 0.78 H new ATOM 0 HG11 VAL A 298 -10.506 8.283 -4.955 1.00 0.96 H new ATOM 0 HG12 VAL A 298 -11.362 7.516 -3.596 1.00 0.96 H new ATOM 0 HG13 VAL A 298 -9.913 8.503 -3.292 1.00 0.96 H new ATOM 0 HG21 VAL A 298 -8.341 7.427 -5.709 1.00 0.81 H new ATOM 0 HG22 VAL A 298 -7.630 7.597 -4.086 1.00 0.81 H new ATOM 0 HG23 VAL A 298 -7.590 6.023 -4.915 1.00 0.81 H new ATOM 391 N VAL A 299 -7.076 5.837 -1.853 1.00 0.55 N ATOM 392 CA VAL A 299 -5.943 6.313 -1.073 1.00 0.59 C ATOM 393 C VAL A 299 -4.730 6.528 -1.969 1.00 0.60 C ATOM 394 O VAL A 299 -4.625 5.924 -3.027 1.00 0.60 O ATOM 395 CB VAL A 299 -5.595 5.306 0.041 1.00 0.64 C ATOM 396 CG1 VAL A 299 -4.503 5.851 0.944 1.00 0.75 C ATOM 397 CG2 VAL A 299 -6.838 4.963 0.842 1.00 0.67 C ATOM 0 H VAL A 299 -6.922 4.934 -2.302 1.00 0.55 H new ATOM 0 HA VAL A 299 -6.219 7.264 -0.618 1.00 0.59 H new ATOM 0 HB VAL A 299 -5.218 4.394 -0.422 1.00 0.64 H new ATOM 0 HG11 VAL A 299 -4.276 5.122 1.721 1.00 0.75 H new ATOM 0 HG12 VAL A 299 -3.607 6.044 0.355 1.00 0.75 H new ATOM 0 HG13 VAL A 299 -4.841 6.779 1.405 1.00 0.75 H new ATOM 0 HG21 VAL A 299 -6.581 4.251 1.626 1.00 0.67 H new ATOM 0 HG22 VAL A 299 -7.242 5.869 1.293 1.00 0.67 H new ATOM 0 HG23 VAL A 299 -7.586 4.522 0.183 1.00 0.67 H new ATOM 407 N HIS A 300 -3.822 7.398 -1.550 1.00 0.68 N ATOM 408 CA HIS A 300 -2.616 7.670 -2.332 1.00 0.75 C ATOM 409 C HIS A 300 -1.383 7.687 -1.443 1.00 0.78 C ATOM 410 O HIS A 300 -1.249 8.536 -0.562 1.00 0.87 O ATOM 411 CB HIS A 300 -2.717 8.988 -3.118 1.00 0.93 C ATOM 412 CG HIS A 300 -3.839 9.895 -2.706 1.00 1.23 C ATOM 413 ND1 HIS A 300 -5.099 9.820 -3.248 1.00 1.90 N ATOM 414 CD2 HIS A 300 -3.883 10.904 -1.806 1.00 2.16 C ATOM 415 CE1 HIS A 300 -5.867 10.742 -2.709 1.00 2.59 C ATOM 416 NE2 HIS A 300 -5.158 11.418 -1.827 1.00 2.80 N ATOM 0 H HIS A 300 -3.893 7.926 -0.680 1.00 0.68 H new ATOM 0 HA HIS A 300 -2.522 6.859 -3.055 1.00 0.75 H new ATOM 0 HB2 HIS A 300 -1.777 9.529 -3.011 1.00 0.93 H new ATOM 0 HB3 HIS A 300 -2.831 8.753 -4.176 1.00 0.93 H new ATOM 0 HD1 HIS A 300 -5.394 9.152 -3.960 1.00 1.90 H new ATOM 0 HD2 HIS A 300 -3.067 11.243 -1.185 1.00 2.16 H new ATOM 0 HE1 HIS A 300 -6.905 10.916 -2.949 1.00 2.59 H new ATOM 425 N VAL A 301 -0.496 6.732 -1.692 1.00 0.81 N ATOM 426 CA VAL A 301 0.744 6.579 -0.945 1.00 0.91 C ATOM 427 C VAL A 301 1.897 7.291 -1.658 1.00 0.94 C ATOM 428 O VAL A 301 1.875 7.450 -2.879 1.00 0.89 O ATOM 429 CB VAL A 301 1.098 5.085 -0.763 1.00 0.99 C ATOM 430 CG1 VAL A 301 -0.037 4.354 -0.068 1.00 1.11 C ATOM 431 CG2 VAL A 301 1.405 4.428 -2.101 1.00 1.29 C ATOM 0 H VAL A 301 -0.619 6.035 -2.426 1.00 0.81 H new ATOM 0 HA VAL A 301 0.596 7.030 0.036 1.00 0.91 H new ATOM 0 HB VAL A 301 1.991 5.024 -0.141 1.00 0.99 H new ATOM 0 HG11 VAL A 301 0.227 3.303 0.053 1.00 1.11 H new ATOM 0 HG12 VAL A 301 -0.211 4.800 0.911 1.00 1.11 H new ATOM 0 HG13 VAL A 301 -0.943 4.434 -0.669 1.00 1.11 H new ATOM 0 HG21 VAL A 301 1.651 3.378 -1.943 1.00 1.29 H new ATOM 0 HG22 VAL A 301 0.534 4.503 -2.752 1.00 1.29 H new ATOM 0 HG23 VAL A 301 2.251 4.932 -2.568 1.00 1.29 H new ATOM 441 N TYR A 302 2.888 7.746 -0.901 1.00 1.09 N ATOM 442 CA TYR A 302 4.015 8.452 -1.475 1.00 1.18 C ATOM 443 C TYR A 302 5.132 7.485 -1.858 1.00 1.28 C ATOM 444 O TYR A 302 5.868 6.998 -1.007 1.00 1.61 O ATOM 445 CB TYR A 302 4.497 9.499 -0.469 1.00 1.54 C ATOM 446 CG TYR A 302 3.498 10.612 -0.280 1.00 2.55 C ATOM 447 CD1 TYR A 302 2.383 10.415 0.512 1.00 2.70 C ATOM 448 CD2 TYR A 302 3.651 11.840 -0.906 1.00 3.50 C ATOM 449 CE1 TYR A 302 1.436 11.402 0.677 1.00 3.77 C ATOM 450 CE2 TYR A 302 2.713 12.841 -0.742 1.00 4.60 C ATOM 451 CZ TYR A 302 1.604 12.613 0.049 1.00 4.73 C ATOM 452 OH TYR A 302 0.657 13.598 0.203 1.00 5.84 O ATOM 0 H TYR A 302 2.929 7.636 0.112 1.00 1.09 H new ATOM 0 HA TYR A 302 3.707 8.952 -2.394 1.00 1.18 H new ATOM 0 HB2 TYR A 302 4.687 9.018 0.490 1.00 1.54 H new ATOM 0 HB3 TYR A 302 5.444 9.918 -0.809 1.00 1.54 H new ATOM 0 HD1 TYR A 302 2.251 9.467 1.012 1.00 2.70 H new ATOM 0 HD2 TYR A 302 4.515 12.016 -1.530 1.00 3.50 H new ATOM 0 HE1 TYR A 302 0.568 11.225 1.295 1.00 3.77 H new ATOM 0 HE2 TYR A 302 2.846 13.796 -1.229 1.00 4.60 H new ATOM 0 HH TYR A 302 -0.027 13.298 0.837 1.00 5.84 H new ATOM 462 N VAL A 303 5.253 7.209 -3.147 1.00 1.15 N ATOM 463 CA VAL A 303 6.253 6.276 -3.638 1.00 1.35 C ATOM 464 C VAL A 303 7.203 6.955 -4.611 1.00 1.25 C ATOM 465 O VAL A 303 6.792 7.479 -5.644 1.00 1.26 O ATOM 466 CB VAL A 303 5.595 5.062 -4.321 1.00 1.59 C ATOM 467 CG1 VAL A 303 6.631 4.198 -5.008 1.00 2.15 C ATOM 468 CG2 VAL A 303 4.809 4.239 -3.310 1.00 1.71 C ATOM 0 H VAL A 303 4.668 7.620 -3.874 1.00 1.15 H new ATOM 0 HA VAL A 303 6.821 5.928 -2.775 1.00 1.35 H new ATOM 0 HB VAL A 303 4.906 5.436 -5.078 1.00 1.59 H new ATOM 0 HG11 VAL A 303 6.140 3.348 -5.482 1.00 2.15 H new ATOM 0 HG12 VAL A 303 7.150 4.785 -5.765 1.00 2.15 H new ATOM 0 HG13 VAL A 303 7.350 3.837 -4.272 1.00 2.15 H new ATOM 0 HG21 VAL A 303 4.352 3.386 -3.812 1.00 1.71 H new ATOM 0 HG22 VAL A 303 5.481 3.883 -2.529 1.00 1.71 H new ATOM 0 HG23 VAL A 303 4.030 4.858 -2.864 1.00 1.71 H new ATOM 478 N LYS A 304 8.475 6.944 -4.261 1.00 1.30 N ATOM 479 CA LYS A 304 9.506 7.539 -5.080 1.00 1.28 C ATOM 480 C LYS A 304 10.760 6.678 -5.075 1.00 1.18 C ATOM 481 O LYS A 304 11.018 5.971 -4.102 1.00 1.14 O ATOM 482 CB LYS A 304 9.845 8.920 -4.548 1.00 1.42 C ATOM 483 CG LYS A 304 10.191 8.925 -3.066 1.00 1.50 C ATOM 484 CD LYS A 304 10.569 10.313 -2.572 1.00 1.79 C ATOM 485 CE LYS A 304 9.366 11.237 -2.511 1.00 2.16 C ATOM 486 NZ LYS A 304 8.391 10.810 -1.473 1.00 2.50 N ATOM 0 H LYS A 304 8.820 6.521 -3.399 1.00 1.30 H new ATOM 0 HA LYS A 304 9.135 7.615 -6.102 1.00 1.28 H new ATOM 0 HB2 LYS A 304 10.686 9.323 -5.112 1.00 1.42 H new ATOM 0 HB3 LYS A 304 8.999 9.586 -4.719 1.00 1.42 H new ATOM 0 HG2 LYS A 304 9.339 8.556 -2.494 1.00 1.50 H new ATOM 0 HG3 LYS A 304 11.018 8.238 -2.885 1.00 1.50 H new ATOM 0 HD2 LYS A 304 11.019 10.236 -1.582 1.00 1.79 H new ATOM 0 HD3 LYS A 304 11.323 10.741 -3.233 1.00 1.79 H new ATOM 0 HE2 LYS A 304 9.699 12.253 -2.300 1.00 2.16 H new ATOM 0 HE3 LYS A 304 8.875 11.258 -3.484 1.00 2.16 H new ATOM 0 HZ1 LYS A 304 7.734 11.591 -1.272 1.00 2.50 H new ATOM 0 HZ2 LYS A 304 7.856 9.987 -1.817 1.00 2.50 H new ATOM 0 HZ3 LYS A 304 8.900 10.553 -0.603 1.00 2.50 H new ATOM 500 N GLU A 305 11.520 6.743 -6.171 1.00 1.19 N ATOM 501 CA GLU A 305 12.799 6.034 -6.309 1.00 1.12 C ATOM 502 C GLU A 305 12.691 4.576 -5.875 1.00 1.04 C ATOM 503 O GLU A 305 13.600 4.031 -5.239 1.00 0.96 O ATOM 504 CB GLU A 305 13.905 6.737 -5.517 1.00 1.11 C ATOM 505 CG GLU A 305 14.170 8.154 -5.982 1.00 1.21 C ATOM 506 CD GLU A 305 15.573 8.624 -5.664 1.00 1.72 C ATOM 507 OE1 GLU A 305 16.519 8.167 -6.340 1.00 1.89 O ATOM 508 OE2 GLU A 305 15.734 9.467 -4.757 1.00 2.36 O ATOM 0 H GLU A 305 11.266 7.291 -6.993 1.00 1.19 H new ATOM 0 HA GLU A 305 13.058 6.051 -7.368 1.00 1.12 H new ATOM 0 HB2 GLU A 305 13.632 6.754 -4.462 1.00 1.11 H new ATOM 0 HB3 GLU A 305 14.825 6.158 -5.599 1.00 1.11 H new ATOM 0 HG2 GLU A 305 14.007 8.215 -7.058 1.00 1.21 H new ATOM 0 HG3 GLU A 305 13.452 8.826 -5.512 1.00 1.21 H new ATOM 515 N ILE A 306 11.572 3.960 -6.213 1.00 1.10 N ATOM 516 CA ILE A 306 11.335 2.567 -5.875 1.00 1.06 C ATOM 517 C ILE A 306 11.999 1.639 -6.886 1.00 1.05 C ATOM 518 O ILE A 306 11.987 1.893 -8.093 1.00 1.20 O ATOM 519 CB ILE A 306 9.811 2.266 -5.764 1.00 1.24 C ATOM 520 CG1 ILE A 306 9.437 1.949 -4.315 1.00 1.44 C ATOM 521 CG2 ILE A 306 9.375 1.133 -6.683 1.00 1.16 C ATOM 522 CD1 ILE A 306 9.660 3.102 -3.360 1.00 2.04 C ATOM 0 H ILE A 306 10.809 4.405 -6.724 1.00 1.10 H new ATOM 0 HA ILE A 306 11.784 2.381 -4.899 1.00 1.06 H new ATOM 0 HB ILE A 306 9.281 3.163 -6.086 1.00 1.24 H new ATOM 0 HG12 ILE A 306 8.388 1.655 -4.276 1.00 1.44 H new ATOM 0 HG13 ILE A 306 10.021 1.092 -3.978 1.00 1.44 H new ATOM 0 HG21 ILE A 306 8.305 0.963 -6.568 1.00 1.16 H new ATOM 0 HG22 ILE A 306 9.591 1.400 -7.718 1.00 1.16 H new ATOM 0 HG23 ILE A 306 9.917 0.224 -6.422 1.00 1.16 H new ATOM 0 HD11 ILE A 306 9.372 2.801 -2.353 1.00 2.04 H new ATOM 0 HD12 ILE A 306 10.713 3.382 -3.368 1.00 2.04 H new ATOM 0 HD13 ILE A 306 9.055 3.954 -3.671 1.00 2.04 H new ATOM 534 N CYS A 307 12.598 0.577 -6.376 1.00 0.95 N ATOM 535 CA CYS A 307 13.194 -0.449 -7.208 1.00 1.01 C ATOM 536 C CYS A 307 12.098 -1.343 -7.774 1.00 1.13 C ATOM 537 O CYS A 307 11.624 -2.270 -7.114 1.00 1.12 O ATOM 538 CB CYS A 307 14.196 -1.270 -6.397 1.00 0.92 C ATOM 539 SG CYS A 307 15.016 -2.578 -7.338 1.00 1.21 S ATOM 0 H CYS A 307 12.684 0.403 -5.375 1.00 0.95 H new ATOM 0 HA CYS A 307 13.729 0.020 -8.034 1.00 1.01 H new ATOM 0 HB2 CYS A 307 14.954 -0.600 -5.991 1.00 0.92 H new ATOM 0 HB3 CYS A 307 13.679 -1.718 -5.548 1.00 0.92 H new ATOM 0 HG CYS A 307 15.845 -3.214 -6.565 1.00 1.21 H new ATOM 545 N ARG A 308 11.702 -1.038 -8.999 1.00 1.28 N ATOM 546 CA ARG A 308 10.615 -1.731 -9.680 1.00 1.44 C ATOM 547 C ARG A 308 10.926 -3.213 -9.886 1.00 1.49 C ATOM 548 O ARG A 308 10.022 -4.023 -10.081 1.00 1.59 O ATOM 549 CB ARG A 308 10.350 -1.041 -11.016 1.00 1.61 C ATOM 550 CG ARG A 308 10.056 0.441 -10.851 1.00 1.63 C ATOM 551 CD ARG A 308 8.710 0.670 -10.188 1.00 1.84 C ATOM 552 NE ARG A 308 8.477 2.077 -9.869 1.00 2.52 N ATOM 553 CZ ARG A 308 7.275 2.579 -9.600 1.00 3.04 C ATOM 554 NH1 ARG A 308 6.200 1.809 -9.710 1.00 3.09 N ATOM 555 NH2 ARG A 308 7.147 3.853 -9.242 1.00 3.90 N ATOM 0 H ARG A 308 12.128 -0.297 -9.555 1.00 1.28 H new ATOM 0 HA ARG A 308 9.723 -1.682 -9.056 1.00 1.44 H new ATOM 0 HB2 ARG A 308 11.216 -1.167 -11.666 1.00 1.61 H new ATOM 0 HB3 ARG A 308 9.507 -1.524 -11.511 1.00 1.61 H new ATOM 0 HG2 ARG A 308 10.841 0.904 -10.253 1.00 1.63 H new ATOM 0 HG3 ARG A 308 10.070 0.927 -11.827 1.00 1.63 H new ATOM 0 HD2 ARG A 308 7.918 0.314 -10.847 1.00 1.84 H new ATOM 0 HD3 ARG A 308 8.653 0.079 -9.274 1.00 1.84 H new ATOM 0 HE ARG A 308 9.279 2.707 -9.852 1.00 2.52 H new ATOM 0 HH11 ARG A 308 6.297 0.836 -10.000 1.00 3.09 H new ATOM 0 HH12 ARG A 308 5.276 2.190 -9.505 1.00 3.09 H new ATOM 0 HH21 ARG A 308 7.972 4.449 -9.173 1.00 3.90 H new ATOM 0 HH22 ARG A 308 6.224 4.235 -9.036 1.00 3.90 H new ATOM 569 N ASP A 309 12.207 -3.558 -9.833 1.00 1.45 N ATOM 570 CA ASP A 309 12.649 -4.946 -9.962 1.00 1.55 C ATOM 571 C ASP A 309 12.240 -5.779 -8.755 1.00 1.49 C ATOM 572 O ASP A 309 12.134 -7.003 -8.842 1.00 1.62 O ATOM 573 CB ASP A 309 14.170 -5.005 -10.104 1.00 1.55 C ATOM 574 CG ASP A 309 14.660 -4.659 -11.495 1.00 2.10 C ATOM 575 OD1 ASP A 309 15.095 -5.573 -12.227 1.00 2.26 O ATOM 576 OD2 ASP A 309 14.570 -3.477 -11.877 1.00 2.70 O ATOM 0 H ASP A 309 12.966 -2.890 -9.700 1.00 1.45 H new ATOM 0 HA ASP A 309 12.170 -5.356 -10.851 1.00 1.55 H new ATOM 0 HB2 ASP A 309 14.621 -4.319 -9.387 1.00 1.55 H new ATOM 0 HB3 ASP A 309 14.513 -6.007 -9.845 1.00 1.55 H new ATOM 581 N THR A 310 12.009 -5.120 -7.630 1.00 1.33 N ATOM 582 CA THR A 310 11.811 -5.828 -6.376 1.00 1.31 C ATOM 583 C THR A 310 10.470 -5.487 -5.749 1.00 1.27 C ATOM 584 O THR A 310 10.040 -6.122 -4.783 1.00 1.29 O ATOM 585 CB THR A 310 12.949 -5.493 -5.403 1.00 1.23 C ATOM 586 OG1 THR A 310 13.056 -4.072 -5.237 1.00 1.08 O ATOM 587 CG2 THR A 310 14.247 -6.039 -5.947 1.00 1.33 C ATOM 0 H THR A 310 11.954 -4.104 -7.560 1.00 1.33 H new ATOM 0 HA THR A 310 11.817 -6.897 -6.588 1.00 1.31 H new ATOM 0 HB THR A 310 12.737 -5.945 -4.434 1.00 1.23 H new ATOM 0 HG1 THR A 310 13.679 -3.711 -5.902 1.00 1.08 H new ATOM 0 HG21 THR A 310 15.058 -5.803 -5.258 1.00 1.33 H new ATOM 0 HG22 THR A 310 14.169 -7.120 -6.058 1.00 1.33 H new ATOM 0 HG23 THR A 310 14.453 -5.588 -6.918 1.00 1.33 H new ATOM 595 N SER A 311 9.809 -4.501 -6.324 1.00 1.27 N ATOM 596 CA SER A 311 8.547 -4.015 -5.805 1.00 1.27 C ATOM 597 C SER A 311 7.430 -5.039 -6.001 1.00 1.42 C ATOM 598 O SER A 311 7.150 -5.469 -7.124 1.00 1.63 O ATOM 599 CB SER A 311 8.209 -2.687 -6.484 1.00 1.31 C ATOM 600 OG SER A 311 8.176 -2.836 -7.891 1.00 1.60 O ATOM 0 H SER A 311 10.131 -4.016 -7.162 1.00 1.27 H new ATOM 0 HA SER A 311 8.640 -3.856 -4.731 1.00 1.27 H new ATOM 0 HB2 SER A 311 7.243 -2.327 -6.129 1.00 1.31 H new ATOM 0 HB3 SER A 311 8.949 -1.935 -6.211 1.00 1.31 H new ATOM 0 HG SER A 311 7.962 -3.765 -8.117 1.00 1.60 H new ATOM 606 N ARG A 312 6.811 -5.425 -4.897 1.00 1.32 N ATOM 607 CA ARG A 312 5.753 -6.420 -4.895 1.00 1.44 C ATOM 608 C ARG A 312 4.599 -5.945 -4.012 1.00 1.34 C ATOM 609 O ARG A 312 4.807 -5.187 -3.061 1.00 1.20 O ATOM 610 CB ARG A 312 6.313 -7.748 -4.368 1.00 1.50 C ATOM 611 CG ARG A 312 5.294 -8.873 -4.276 1.00 1.95 C ATOM 612 CD ARG A 312 5.786 -9.987 -3.361 1.00 2.00 C ATOM 613 NE ARG A 312 6.970 -10.674 -3.887 1.00 2.30 N ATOM 614 CZ ARG A 312 8.167 -10.667 -3.294 1.00 2.65 C ATOM 615 NH1 ARG A 312 8.364 -9.952 -2.191 1.00 2.66 N ATOM 616 NH2 ARG A 312 9.171 -11.374 -3.801 1.00 3.37 N ATOM 0 H ARG A 312 7.030 -5.054 -3.972 1.00 1.32 H new ATOM 0 HA ARG A 312 5.380 -6.564 -5.909 1.00 1.44 H new ATOM 0 HB2 ARG A 312 7.129 -8.066 -5.017 1.00 1.50 H new ATOM 0 HB3 ARG A 312 6.740 -7.580 -3.379 1.00 1.50 H new ATOM 0 HG2 ARG A 312 4.349 -8.481 -3.901 1.00 1.95 H new ATOM 0 HG3 ARG A 312 5.100 -9.274 -5.271 1.00 1.95 H new ATOM 0 HD2 ARG A 312 6.019 -9.570 -2.381 1.00 2.00 H new ATOM 0 HD3 ARG A 312 4.985 -10.712 -3.216 1.00 2.00 H new ATOM 0 HE ARG A 312 6.873 -11.190 -4.761 1.00 2.30 H new ATOM 0 HH11 ARG A 312 7.600 -9.406 -1.794 1.00 2.66 H new ATOM 0 HH12 ARG A 312 9.280 -9.950 -1.742 1.00 2.66 H new ATOM 0 HH21 ARG A 312 9.030 -11.926 -4.647 1.00 3.37 H new ATOM 0 HH22 ARG A 312 10.083 -11.365 -3.344 1.00 3.37 H new ATOM 630 N VAL A 313 3.390 -6.374 -4.330 1.00 1.45 N ATOM 631 CA VAL A 313 2.239 -6.051 -3.507 1.00 1.38 C ATOM 632 C VAL A 313 1.576 -7.324 -2.985 1.00 1.41 C ATOM 633 O VAL A 313 1.396 -8.297 -3.720 1.00 1.57 O ATOM 634 CB VAL A 313 1.204 -5.185 -4.269 1.00 1.52 C ATOM 635 CG1 VAL A 313 0.640 -5.922 -5.473 1.00 2.19 C ATOM 636 CG2 VAL A 313 0.087 -4.733 -3.337 1.00 2.08 C ATOM 0 H VAL A 313 3.181 -6.945 -5.149 1.00 1.45 H new ATOM 0 HA VAL A 313 2.603 -5.465 -2.663 1.00 1.38 H new ATOM 0 HB VAL A 313 1.721 -4.300 -4.638 1.00 1.52 H new ATOM 0 HG11 VAL A 313 -0.082 -5.285 -5.984 1.00 2.19 H new ATOM 0 HG12 VAL A 313 1.450 -6.174 -6.158 1.00 2.19 H new ATOM 0 HG13 VAL A 313 0.148 -6.836 -5.142 1.00 2.19 H new ATOM 0 HG21 VAL A 313 -0.628 -4.127 -3.893 1.00 2.08 H new ATOM 0 HG22 VAL A 313 -0.420 -5.606 -2.926 1.00 2.08 H new ATOM 0 HG23 VAL A 313 0.508 -4.142 -2.524 1.00 2.08 H new ATOM 646 N LEU A 314 1.253 -7.326 -1.704 1.00 1.29 N ATOM 647 CA LEU A 314 0.574 -8.454 -1.087 1.00 1.32 C ATOM 648 C LEU A 314 -0.799 -8.018 -0.611 1.00 1.22 C ATOM 649 O LEU A 314 -0.908 -7.243 0.329 1.00 1.08 O ATOM 650 CB LEU A 314 1.393 -8.980 0.092 1.00 1.27 C ATOM 651 CG LEU A 314 2.818 -9.419 -0.253 1.00 1.78 C ATOM 652 CD1 LEU A 314 3.592 -9.764 1.009 1.00 2.52 C ATOM 653 CD2 LEU A 314 2.793 -10.606 -1.201 1.00 2.19 C ATOM 0 H LEU A 314 1.451 -6.555 -1.067 1.00 1.29 H new ATOM 0 HA LEU A 314 0.465 -9.253 -1.821 1.00 1.32 H new ATOM 0 HB2 LEU A 314 1.443 -8.203 0.855 1.00 1.27 H new ATOM 0 HB3 LEU A 314 0.865 -9.826 0.533 1.00 1.27 H new ATOM 0 HG LEU A 314 3.322 -8.590 -0.749 1.00 1.78 H new ATOM 0 HD11 LEU A 314 4.603 -10.074 0.743 1.00 2.52 H new ATOM 0 HD12 LEU A 314 3.640 -8.889 1.657 1.00 2.52 H new ATOM 0 HD13 LEU A 314 3.090 -10.577 1.533 1.00 2.52 H new ATOM 0 HD21 LEU A 314 3.814 -10.905 -1.436 1.00 2.19 H new ATOM 0 HD22 LEU A 314 2.271 -11.438 -0.729 1.00 2.19 H new ATOM 0 HD23 LEU A 314 2.276 -10.327 -2.119 1.00 2.19 H new ATOM 665 N PHE A 315 -1.845 -8.504 -1.251 1.00 1.33 N ATOM 666 CA PHE A 315 -3.189 -8.063 -0.914 1.00 1.27 C ATOM 667 C PHE A 315 -4.076 -9.227 -0.492 1.00 1.31 C ATOM 668 O PHE A 315 -3.963 -10.338 -1.017 1.00 1.53 O ATOM 669 CB PHE A 315 -3.820 -7.301 -2.084 1.00 1.50 C ATOM 670 CG PHE A 315 -3.761 -8.021 -3.405 1.00 2.05 C ATOM 671 CD1 PHE A 315 -4.792 -8.857 -3.804 1.00 2.71 C ATOM 672 CD2 PHE A 315 -2.673 -7.858 -4.252 1.00 2.17 C ATOM 673 CE1 PHE A 315 -4.741 -9.514 -5.018 1.00 3.52 C ATOM 674 CE2 PHE A 315 -2.618 -8.513 -5.467 1.00 2.87 C ATOM 675 CZ PHE A 315 -3.652 -9.343 -5.851 1.00 3.57 C ATOM 0 H PHE A 315 -1.795 -9.196 -1.999 1.00 1.33 H new ATOM 0 HA PHE A 315 -3.106 -7.387 -0.063 1.00 1.27 H new ATOM 0 HB2 PHE A 315 -4.863 -7.093 -1.845 1.00 1.50 H new ATOM 0 HB3 PHE A 315 -3.318 -6.339 -2.187 1.00 1.50 H new ATOM 0 HD1 PHE A 315 -5.646 -8.996 -3.158 1.00 2.71 H new ATOM 0 HD2 PHE A 315 -1.860 -7.211 -3.957 1.00 2.17 H new ATOM 0 HE1 PHE A 315 -5.552 -10.161 -5.316 1.00 3.52 H new ATOM 0 HE2 PHE A 315 -1.766 -8.376 -6.116 1.00 2.87 H new ATOM 0 HZ PHE A 315 -3.610 -9.857 -6.800 1.00 3.57 H new ATOM 685 N ARG A 316 -4.945 -8.966 0.470 1.00 1.15 N ATOM 686 CA ARG A 316 -5.895 -9.956 0.937 1.00 1.21 C ATOM 687 C ARG A 316 -7.258 -9.300 1.130 1.00 1.16 C ATOM 688 O ARG A 316 -7.463 -8.167 0.700 1.00 1.21 O ATOM 689 CB ARG A 316 -5.415 -10.604 2.240 1.00 1.21 C ATOM 690 CG ARG A 316 -5.519 -9.704 3.459 1.00 1.14 C ATOM 691 CD ARG A 316 -4.904 -10.354 4.683 1.00 1.43 C ATOM 692 NE ARG A 316 -5.769 -11.379 5.265 1.00 1.68 N ATOM 693 CZ ARG A 316 -6.071 -11.431 6.562 1.00 2.43 C ATOM 694 NH1 ARG A 316 -5.711 -10.441 7.369 1.00 2.93 N ATOM 695 NH2 ARG A 316 -6.778 -12.444 7.047 1.00 3.21 N ATOM 0 H ARG A 316 -5.010 -8.066 0.946 1.00 1.15 H new ATOM 0 HA ARG A 316 -5.981 -10.744 0.189 1.00 1.21 H new ATOM 0 HB2 ARG A 316 -5.997 -11.508 2.419 1.00 1.21 H new ATOM 0 HB3 ARG A 316 -4.377 -10.913 2.118 1.00 1.21 H new ATOM 0 HG2 ARG A 316 -5.018 -8.757 3.258 1.00 1.14 H new ATOM 0 HG3 ARG A 316 -6.566 -9.475 3.655 1.00 1.14 H new ATOM 0 HD2 ARG A 316 -3.948 -10.801 4.412 1.00 1.43 H new ATOM 0 HD3 ARG A 316 -4.697 -9.589 5.432 1.00 1.43 H new ATOM 0 HE ARG A 316 -6.161 -12.090 4.647 1.00 1.68 H new ATOM 0 HH11 ARG A 316 -5.203 -9.639 6.997 1.00 2.93 H new ATOM 0 HH12 ARG A 316 -5.943 -10.482 8.361 1.00 2.93 H new ATOM 0 HH21 ARG A 316 -7.094 -13.189 6.426 1.00 3.21 H new ATOM 0 HH22 ARG A 316 -7.006 -12.478 8.041 1.00 3.21 H new ATOM 709 N GLU A 317 -8.172 -10.021 1.772 1.00 1.20 N ATOM 710 CA GLU A 317 -9.555 -9.579 1.950 1.00 1.25 C ATOM 711 C GLU A 317 -9.685 -8.112 2.388 1.00 1.23 C ATOM 712 O GLU A 317 -10.363 -7.326 1.724 1.00 1.41 O ATOM 713 CB GLU A 317 -10.267 -10.475 2.962 1.00 1.33 C ATOM 714 CG GLU A 317 -9.406 -10.878 4.152 1.00 1.39 C ATOM 715 CD GLU A 317 -8.770 -12.241 3.975 1.00 1.65 C ATOM 716 OE1 GLU A 317 -9.397 -13.245 4.359 1.00 2.05 O ATOM 717 OE2 GLU A 317 -7.642 -12.311 3.446 1.00 1.96 O ATOM 0 H GLU A 317 -7.975 -10.932 2.186 1.00 1.20 H new ATOM 0 HA GLU A 317 -10.024 -9.658 0.969 1.00 1.25 H new ATOM 0 HB2 GLU A 317 -11.154 -9.958 3.328 1.00 1.33 H new ATOM 0 HB3 GLU A 317 -10.610 -11.376 2.454 1.00 1.33 H new ATOM 0 HG2 GLU A 317 -8.624 -10.133 4.299 1.00 1.39 H new ATOM 0 HG3 GLU A 317 -10.018 -10.881 5.054 1.00 1.39 H new ATOM 724 N GLN A 318 -9.069 -7.744 3.509 1.00 1.19 N ATOM 725 CA GLN A 318 -9.275 -6.402 4.054 1.00 1.34 C ATOM 726 C GLN A 318 -7.982 -5.598 4.175 1.00 1.29 C ATOM 727 O GLN A 318 -8.025 -4.396 4.421 1.00 1.53 O ATOM 728 CB GLN A 318 -9.969 -6.478 5.412 1.00 1.58 C ATOM 729 CG GLN A 318 -11.266 -7.266 5.382 1.00 1.91 C ATOM 730 CD GLN A 318 -12.036 -7.181 6.682 1.00 2.21 C ATOM 731 OE1 GLN A 318 -12.907 -6.189 6.795 1.00 2.72 O flip ATOM 732 NE2 GLN A 318 -11.852 -8.002 7.580 1.00 2.17 N flip ATOM 0 H GLN A 318 -8.438 -8.338 4.047 1.00 1.19 H new ATOM 0 HA GLN A 318 -9.911 -5.876 3.342 1.00 1.34 H new ATOM 0 HB2 GLN A 318 -9.291 -6.935 6.133 1.00 1.58 H new ATOM 0 HB3 GLN A 318 -10.175 -5.467 5.764 1.00 1.58 H new ATOM 0 HG2 GLN A 318 -11.892 -6.896 4.570 1.00 1.91 H new ATOM 0 HG3 GLN A 318 -11.046 -8.311 5.164 1.00 1.91 H new ATOM 0 HE21 GLN A 318 -11.172 -8.752 7.454 1.00 2.17 H new ATOM 0 HE22 GLN A 318 -12.380 -7.933 8.450 1.00 2.17 H new ATOM 741 N ASP A 319 -6.834 -6.235 4.010 1.00 1.12 N ATOM 742 CA ASP A 319 -5.572 -5.519 4.162 1.00 1.13 C ATOM 743 C ASP A 319 -4.584 -5.873 3.070 1.00 1.00 C ATOM 744 O ASP A 319 -4.767 -6.842 2.329 1.00 1.00 O ATOM 745 CB ASP A 319 -4.940 -5.764 5.537 1.00 1.20 C ATOM 746 CG ASP A 319 -4.587 -7.214 5.803 1.00 1.13 C ATOM 747 OD1 ASP A 319 -3.506 -7.656 5.355 1.00 1.13 O ATOM 748 OD2 ASP A 319 -5.386 -7.925 6.444 1.00 1.25 O ATOM 0 H ASP A 319 -6.746 -7.224 3.776 1.00 1.12 H new ATOM 0 HA ASP A 319 -5.811 -4.459 4.076 1.00 1.13 H new ATOM 0 HB2 ASP A 319 -4.037 -5.159 5.624 1.00 1.20 H new ATOM 0 HB3 ASP A 319 -5.629 -5.421 6.309 1.00 1.20 H new ATOM 753 N PHE A 320 -3.549 -5.059 2.972 1.00 0.99 N ATOM 754 CA PHE A 320 -2.509 -5.245 1.975 1.00 0.94 C ATOM 755 C PHE A 320 -1.156 -4.779 2.507 1.00 0.83 C ATOM 756 O PHE A 320 -1.070 -3.835 3.296 1.00 0.93 O ATOM 757 CB PHE A 320 -2.866 -4.510 0.675 1.00 1.21 C ATOM 758 CG PHE A 320 -3.386 -3.112 0.883 1.00 1.43 C ATOM 759 CD1 PHE A 320 -2.514 -2.049 1.059 1.00 1.43 C ATOM 760 CD2 PHE A 320 -4.749 -2.863 0.892 1.00 1.74 C ATOM 761 CE1 PHE A 320 -2.993 -0.765 1.243 1.00 1.73 C ATOM 762 CE2 PHE A 320 -5.232 -1.582 1.078 1.00 2.02 C ATOM 763 CZ PHE A 320 -4.354 -0.534 1.253 1.00 2.01 C ATOM 0 H PHE A 320 -3.405 -4.252 3.579 1.00 0.99 H new ATOM 0 HA PHE A 320 -2.436 -6.310 1.755 1.00 0.94 H new ATOM 0 HB2 PHE A 320 -1.981 -4.466 0.040 1.00 1.21 H new ATOM 0 HB3 PHE A 320 -3.616 -5.089 0.137 1.00 1.21 H new ATOM 0 HD1 PHE A 320 -1.449 -2.226 1.052 1.00 1.43 H new ATOM 0 HD2 PHE A 320 -5.442 -3.680 0.752 1.00 1.74 H new ATOM 0 HE1 PHE A 320 -2.304 0.055 1.379 1.00 1.73 H new ATOM 0 HE2 PHE A 320 -6.297 -1.402 1.086 1.00 2.02 H new ATOM 0 HZ PHE A 320 -4.731 0.468 1.398 1.00 2.01 H new ATOM 773 N THR A 321 -0.112 -5.463 2.088 1.00 0.74 N ATOM 774 CA THR A 321 1.245 -5.140 2.490 1.00 0.66 C ATOM 775 C THR A 321 2.032 -4.614 1.295 1.00 0.77 C ATOM 776 O THR A 321 2.020 -5.220 0.221 1.00 0.92 O ATOM 777 CB THR A 321 1.964 -6.386 3.044 1.00 0.64 C ATOM 778 OG1 THR A 321 1.024 -7.210 3.741 1.00 0.68 O ATOM 779 CG2 THR A 321 3.088 -5.997 3.996 1.00 0.70 C ATOM 0 H THR A 321 -0.179 -6.262 1.457 1.00 0.74 H new ATOM 0 HA THR A 321 1.192 -4.379 3.268 1.00 0.66 H new ATOM 0 HB THR A 321 2.394 -6.931 2.204 1.00 0.64 H new ATOM 0 HG1 THR A 321 1.452 -7.596 4.534 1.00 0.68 H new ATOM 0 HG21 THR A 321 3.576 -6.897 4.370 1.00 0.70 H new ATOM 0 HG22 THR A 321 3.816 -5.382 3.467 1.00 0.70 H new ATOM 0 HG23 THR A 321 2.677 -5.433 4.833 1.00 0.70 H new ATOM 787 N LEU A 322 2.706 -3.490 1.478 1.00 0.78 N ATOM 788 CA LEU A 322 3.526 -2.920 0.420 1.00 0.90 C ATOM 789 C LEU A 322 4.983 -3.260 0.674 1.00 0.80 C ATOM 790 O LEU A 322 5.562 -2.813 1.662 1.00 0.71 O ATOM 791 CB LEU A 322 3.346 -1.399 0.335 1.00 1.06 C ATOM 792 CG LEU A 322 2.032 -0.912 -0.285 1.00 1.30 C ATOM 793 CD1 LEU A 322 1.809 -1.554 -1.645 1.00 1.80 C ATOM 794 CD2 LEU A 322 0.853 -1.182 0.636 1.00 1.75 C ATOM 0 H LEU A 322 2.702 -2.955 2.347 1.00 0.78 H new ATOM 0 HA LEU A 322 3.209 -3.346 -0.532 1.00 0.90 H new ATOM 0 HB2 LEU A 322 3.425 -0.987 1.341 1.00 1.06 H new ATOM 0 HB3 LEU A 322 4.173 -0.987 -0.244 1.00 1.06 H new ATOM 0 HG LEU A 322 2.108 0.167 -0.421 1.00 1.30 H new ATOM 0 HD11 LEU A 322 0.871 -1.195 -2.068 1.00 1.80 H new ATOM 0 HD12 LEU A 322 2.631 -1.291 -2.311 1.00 1.80 H new ATOM 0 HD13 LEU A 322 1.765 -2.637 -1.533 1.00 1.80 H new ATOM 0 HD21 LEU A 322 -0.064 -0.825 0.167 1.00 1.75 H new ATOM 0 HD22 LEU A 322 0.773 -2.253 0.820 1.00 1.75 H new ATOM 0 HD23 LEU A 322 1.004 -0.662 1.582 1.00 1.75 H new ATOM 806 N ILE A 323 5.569 -4.058 -0.208 1.00 0.86 N ATOM 807 CA ILE A 323 6.931 -4.531 -0.017 1.00 0.83 C ATOM 808 C ILE A 323 7.799 -4.216 -1.236 1.00 0.89 C ATOM 809 O ILE A 323 7.591 -4.750 -2.326 1.00 1.07 O ATOM 810 CB ILE A 323 6.950 -6.047 0.301 1.00 0.94 C ATOM 811 CG1 ILE A 323 8.387 -6.573 0.381 1.00 0.97 C ATOM 812 CG2 ILE A 323 6.136 -6.839 -0.718 1.00 1.11 C ATOM 813 CD1 ILE A 323 8.469 -8.046 0.720 1.00 1.11 C ATOM 0 H ILE A 323 5.122 -4.391 -1.062 1.00 0.86 H new ATOM 0 HA ILE A 323 7.353 -4.002 0.838 1.00 0.83 H new ATOM 0 HB ILE A 323 6.484 -6.185 1.277 1.00 0.94 H new ATOM 0 HG12 ILE A 323 8.884 -6.399 -0.574 1.00 0.97 H new ATOM 0 HG13 ILE A 323 8.933 -6.004 1.133 1.00 0.97 H new ATOM 0 HG21 ILE A 323 6.170 -7.899 -0.466 1.00 1.11 H new ATOM 0 HG22 ILE A 323 5.102 -6.495 -0.704 1.00 1.11 H new ATOM 0 HG23 ILE A 323 6.554 -6.689 -1.713 1.00 1.11 H new ATOM 0 HD11 ILE A 323 9.514 -8.352 0.760 1.00 1.11 H new ATOM 0 HD12 ILE A 323 8.001 -8.223 1.688 1.00 1.11 H new ATOM 0 HD13 ILE A 323 7.951 -8.625 -0.045 1.00 1.11 H new ATOM 825 N PHE A 324 8.767 -3.332 -1.044 1.00 0.77 N ATOM 826 CA PHE A 324 9.629 -2.890 -2.135 1.00 0.83 C ATOM 827 C PHE A 324 10.927 -2.297 -1.608 1.00 0.71 C ATOM 828 O PHE A 324 11.085 -2.078 -0.408 1.00 0.64 O ATOM 829 CB PHE A 324 8.910 -1.849 -3.009 1.00 0.92 C ATOM 830 CG PHE A 324 8.105 -0.840 -2.232 1.00 0.87 C ATOM 831 CD1 PHE A 324 6.722 -0.835 -2.318 1.00 1.04 C ATOM 832 CD2 PHE A 324 8.725 0.098 -1.418 1.00 0.86 C ATOM 833 CE1 PHE A 324 5.973 0.085 -1.613 1.00 1.12 C ATOM 834 CE2 PHE A 324 7.979 1.021 -0.709 1.00 0.91 C ATOM 835 CZ PHE A 324 6.601 1.013 -0.808 1.00 1.01 C ATOM 0 H PHE A 324 8.977 -2.905 -0.142 1.00 0.77 H new ATOM 0 HA PHE A 324 9.864 -3.767 -2.738 1.00 0.83 H new ATOM 0 HB2 PHE A 324 9.651 -1.321 -3.609 1.00 0.92 H new ATOM 0 HB3 PHE A 324 8.249 -2.368 -3.703 1.00 0.92 H new ATOM 0 HD1 PHE A 324 6.224 -1.560 -2.945 1.00 1.04 H new ATOM 0 HD2 PHE A 324 9.802 0.107 -1.338 1.00 0.86 H new ATOM 0 HE1 PHE A 324 4.896 0.079 -1.691 1.00 1.12 H new ATOM 0 HE2 PHE A 324 8.472 1.747 -0.079 1.00 0.91 H new ATOM 0 HZ PHE A 324 6.016 1.733 -0.255 1.00 1.01 H new ATOM 845 N GLN A 325 11.856 -2.043 -2.513 1.00 0.74 N ATOM 846 CA GLN A 325 13.099 -1.385 -2.162 1.00 0.65 C ATOM 847 C GLN A 325 13.111 0.009 -2.757 1.00 0.64 C ATOM 848 O GLN A 325 12.447 0.260 -3.760 1.00 0.75 O ATOM 849 CB GLN A 325 14.293 -2.188 -2.677 1.00 0.75 C ATOM 850 CG GLN A 325 14.363 -3.593 -2.108 1.00 0.92 C ATOM 851 CD GLN A 325 15.583 -4.358 -2.576 1.00 1.34 C ATOM 852 OE1 GLN A 325 16.019 -4.080 -3.793 1.00 1.61 O flip ATOM 853 NE2 GLN A 325 16.117 -5.198 -1.855 1.00 1.62 N flip ATOM 0 H GLN A 325 11.771 -2.284 -3.500 1.00 0.74 H new ATOM 0 HA GLN A 325 13.175 -1.318 -1.077 1.00 0.65 H new ATOM 0 HB2 GLN A 325 14.241 -2.246 -3.764 1.00 0.75 H new ATOM 0 HB3 GLN A 325 15.212 -1.657 -2.430 1.00 0.75 H new ATOM 0 HG2 GLN A 325 14.370 -3.539 -1.019 1.00 0.92 H new ATOM 0 HG3 GLN A 325 13.465 -4.141 -2.394 1.00 0.92 H new ATOM 0 HE21 GLN A 325 15.746 -5.380 -0.922 1.00 1.62 H new ATOM 0 HE22 GLN A 325 16.931 -5.714 -2.189 1.00 1.62 H new ATOM 862 N THR A 326 13.848 0.911 -2.140 1.00 0.59 N ATOM 863 CA THR A 326 13.937 2.278 -2.617 1.00 0.67 C ATOM 864 C THR A 326 15.328 2.812 -2.324 1.00 0.65 C ATOM 865 O THR A 326 16.131 2.129 -1.684 1.00 0.74 O ATOM 866 CB THR A 326 12.889 3.195 -1.939 1.00 0.78 C ATOM 867 OG1 THR A 326 12.761 4.420 -2.667 1.00 1.31 O ATOM 868 CG2 THR A 326 13.305 3.528 -0.518 1.00 0.99 C ATOM 0 H THR A 326 14.397 0.721 -1.302 1.00 0.59 H new ATOM 0 HA THR A 326 13.738 2.277 -3.689 1.00 0.67 H new ATOM 0 HB THR A 326 11.939 2.661 -1.928 1.00 0.78 H new ATOM 0 HG1 THR A 326 13.151 4.312 -3.560 1.00 1.31 H new ATOM 0 HG21 THR A 326 12.555 4.173 -0.061 1.00 0.99 H new ATOM 0 HG22 THR A 326 13.394 2.608 0.060 1.00 0.99 H new ATOM 0 HG23 THR A 326 14.266 4.042 -0.531 1.00 0.99 H new ATOM 876 N ARG A 327 15.617 4.015 -2.784 1.00 0.67 N ATOM 877 CA ARG A 327 16.869 4.655 -2.424 1.00 0.69 C ATOM 878 C ARG A 327 16.637 6.103 -2.027 1.00 0.80 C ATOM 879 O ARG A 327 16.204 6.927 -2.830 1.00 0.89 O ATOM 880 CB ARG A 327 17.935 4.560 -3.533 1.00 0.73 C ATOM 881 CG ARG A 327 17.599 5.277 -4.833 1.00 0.86 C ATOM 882 CD ARG A 327 16.598 4.506 -5.671 1.00 1.01 C ATOM 883 NE ARG A 327 17.079 3.174 -6.030 1.00 1.68 N ATOM 884 CZ ARG A 327 16.709 2.533 -7.136 1.00 2.11 C ATOM 885 NH1 ARG A 327 15.908 3.126 -8.011 1.00 2.04 N ATOM 886 NH2 ARG A 327 17.149 1.306 -7.378 1.00 3.04 N ATOM 0 H ARG A 327 15.013 4.562 -3.398 1.00 0.67 H new ATOM 0 HA ARG A 327 17.262 4.108 -1.567 1.00 0.69 H new ATOM 0 HB2 ARG A 327 18.871 4.964 -3.148 1.00 0.73 H new ATOM 0 HB3 ARG A 327 18.110 3.507 -3.755 1.00 0.73 H new ATOM 0 HG2 ARG A 327 17.197 6.265 -4.608 1.00 0.86 H new ATOM 0 HG3 ARG A 327 18.512 5.428 -5.409 1.00 0.86 H new ATOM 0 HD2 ARG A 327 15.662 4.415 -5.121 1.00 1.01 H new ATOM 0 HD3 ARG A 327 16.380 5.068 -6.580 1.00 1.01 H new ATOM 0 HE ARG A 327 17.733 2.711 -5.399 1.00 1.68 H new ATOM 0 HH11 ARG A 327 15.575 4.074 -7.837 1.00 2.04 H new ATOM 0 HH12 ARG A 327 15.625 2.634 -8.858 1.00 2.04 H new ATOM 0 HH21 ARG A 327 17.774 0.848 -6.715 1.00 3.04 H new ATOM 0 HH22 ARG A 327 16.862 0.820 -8.227 1.00 3.04 H new ATOM 900 N ASP A 328 16.895 6.394 -0.766 1.00 0.90 N ATOM 901 CA ASP A 328 16.894 7.760 -0.288 1.00 1.08 C ATOM 902 C ASP A 328 18.197 8.025 0.434 1.00 1.06 C ATOM 903 O ASP A 328 18.554 7.312 1.379 1.00 1.06 O ATOM 904 CB ASP A 328 15.710 8.042 0.626 1.00 1.37 C ATOM 905 CG ASP A 328 15.548 9.529 0.883 1.00 2.25 C ATOM 906 OD1 ASP A 328 14.494 10.090 0.520 1.00 2.82 O ATOM 907 OD2 ASP A 328 16.483 10.151 1.437 1.00 2.55 O ATOM 0 H ASP A 328 17.109 5.697 -0.052 1.00 0.90 H new ATOM 0 HA ASP A 328 16.798 8.428 -1.144 1.00 1.08 H new ATOM 0 HB2 ASP A 328 14.799 7.648 0.175 1.00 1.37 H new ATOM 0 HB3 ASP A 328 15.848 7.521 1.573 1.00 1.37 H new ATOM 912 N GLY A 329 18.893 9.055 -0.019 1.00 1.15 N ATOM 913 CA GLY A 329 20.243 9.327 0.431 1.00 1.22 C ATOM 914 C GLY A 329 20.387 9.459 1.935 1.00 1.34 C ATOM 915 O GLY A 329 21.450 9.166 2.472 1.00 1.36 O ATOM 0 H GLY A 329 18.538 9.721 -0.705 1.00 1.15 H new ATOM 0 HA2 GLY A 329 20.897 8.527 0.084 1.00 1.22 H new ATOM 0 HA3 GLY A 329 20.591 10.248 -0.037 1.00 1.22 H new ATOM 919 N ASN A 330 19.327 9.868 2.622 1.00 1.49 N ATOM 920 CA ASN A 330 19.426 10.138 4.055 1.00 1.69 C ATOM 921 C ASN A 330 19.651 8.838 4.841 1.00 1.61 C ATOM 922 O ASN A 330 20.503 8.780 5.721 1.00 1.71 O ATOM 923 CB ASN A 330 18.168 10.868 4.553 1.00 1.90 C ATOM 924 CG ASN A 330 17.049 9.911 4.890 1.00 2.26 C ATOM 925 OD1 ASN A 330 16.747 9.670 6.057 1.00 3.04 O ATOM 926 ND2 ASN A 330 16.458 9.328 3.865 1.00 2.01 N ATOM 0 H ASN A 330 18.402 10.019 2.220 1.00 1.49 H new ATOM 0 HA ASN A 330 20.287 10.785 4.223 1.00 1.69 H new ATOM 0 HB2 ASN A 330 18.417 11.458 5.435 1.00 1.90 H new ATOM 0 HB3 ASN A 330 17.829 11.566 3.788 1.00 1.90 H new ATOM 0 HD21 ASN A 330 15.717 8.646 4.024 1.00 2.01 H new ATOM 0 HD22 ASN A 330 16.742 9.560 2.913 1.00 2.01 H new ATOM 933 N PHE A 331 18.870 7.807 4.525 1.00 1.48 N ATOM 934 CA PHE A 331 18.982 6.521 5.191 1.00 1.47 C ATOM 935 C PHE A 331 20.195 5.754 4.704 1.00 1.31 C ATOM 936 O PHE A 331 20.981 5.237 5.497 1.00 1.42 O ATOM 937 CB PHE A 331 17.721 5.688 4.965 1.00 1.46 C ATOM 938 CG PHE A 331 16.503 6.228 5.657 1.00 1.64 C ATOM 939 CD1 PHE A 331 16.518 6.463 7.021 1.00 1.90 C ATOM 940 CD2 PHE A 331 15.344 6.495 4.948 1.00 2.14 C ATOM 941 CE1 PHE A 331 15.401 6.955 7.667 1.00 2.38 C ATOM 942 CE2 PHE A 331 14.223 6.987 5.588 1.00 2.84 C ATOM 943 CZ PHE A 331 14.251 7.218 6.949 1.00 2.87 C ATOM 0 H PHE A 331 18.148 7.843 3.805 1.00 1.48 H new ATOM 0 HA PHE A 331 19.099 6.712 6.258 1.00 1.47 H new ATOM 0 HB2 PHE A 331 17.523 5.630 3.895 1.00 1.46 H new ATOM 0 HB3 PHE A 331 17.903 4.671 5.311 1.00 1.46 H new ATOM 0 HD1 PHE A 331 17.415 6.259 7.587 1.00 1.90 H new ATOM 0 HD2 PHE A 331 15.316 6.317 3.883 1.00 2.14 H new ATOM 0 HE1 PHE A 331 15.427 7.134 8.732 1.00 2.38 H new ATOM 0 HE2 PHE A 331 13.325 7.191 5.024 1.00 2.84 H new ATOM 0 HZ PHE A 331 13.376 7.603 7.451 1.00 2.87 H new ATOM 953 N LEU A 332 20.341 5.687 3.387 1.00 1.12 N ATOM 954 CA LEU A 332 21.381 4.853 2.782 1.00 1.03 C ATOM 955 C LEU A 332 22.786 5.319 3.160 1.00 1.14 C ATOM 956 O LEU A 332 23.697 4.504 3.270 1.00 1.18 O ATOM 957 CB LEU A 332 21.212 4.739 1.252 1.00 0.98 C ATOM 958 CG LEU A 332 21.270 6.039 0.437 1.00 1.09 C ATOM 959 CD1 LEU A 332 22.704 6.500 0.219 1.00 1.65 C ATOM 960 CD2 LEU A 332 20.574 5.844 -0.899 1.00 1.46 C ATOM 0 H LEU A 332 19.760 6.194 2.719 1.00 1.12 H new ATOM 0 HA LEU A 332 21.256 3.852 3.195 1.00 1.03 H new ATOM 0 HB2 LEU A 332 21.987 4.071 0.876 1.00 0.98 H new ATOM 0 HB3 LEU A 332 20.254 4.259 1.054 1.00 0.98 H new ATOM 0 HG LEU A 332 20.755 6.814 1.004 1.00 1.09 H new ATOM 0 HD11 LEU A 332 22.705 7.423 -0.361 1.00 1.65 H new ATOM 0 HD12 LEU A 332 23.180 6.677 1.184 1.00 1.65 H new ATOM 0 HD13 LEU A 332 23.255 5.731 -0.321 1.00 1.65 H new ATOM 0 HD21 LEU A 332 20.619 6.770 -1.471 1.00 1.46 H new ATOM 0 HD22 LEU A 332 21.071 5.049 -1.455 1.00 1.46 H new ATOM 0 HD23 LEU A 332 19.532 5.572 -0.730 1.00 1.46 H new ATOM 972 N ARG A 333 22.968 6.621 3.369 1.00 1.24 N ATOM 973 CA ARG A 333 24.257 7.156 3.754 1.00 1.42 C ATOM 974 C ARG A 333 24.674 6.624 5.124 1.00 1.57 C ATOM 975 O ARG A 333 25.860 6.480 5.417 1.00 1.69 O ATOM 976 CB ARG A 333 24.161 8.674 3.774 1.00 1.58 C ATOM 977 CG ARG A 333 23.462 9.231 4.998 1.00 1.77 C ATOM 978 CD ARG A 333 23.157 10.711 4.841 1.00 1.94 C ATOM 979 NE ARG A 333 24.369 11.522 4.760 1.00 2.17 N ATOM 980 CZ ARG A 333 24.372 12.853 4.803 1.00 2.53 C ATOM 981 NH1 ARG A 333 23.237 13.523 4.947 1.00 2.82 N ATOM 982 NH2 ARG A 333 25.512 13.520 4.712 1.00 2.93 N ATOM 0 H ARG A 333 22.232 7.321 3.276 1.00 1.24 H new ATOM 0 HA ARG A 333 25.016 6.844 3.036 1.00 1.42 H new ATOM 0 HB2 ARG A 333 25.166 9.092 3.720 1.00 1.58 H new ATOM 0 HB3 ARG A 333 23.630 9.006 2.882 1.00 1.58 H new ATOM 0 HG2 ARG A 333 22.535 8.684 5.169 1.00 1.77 H new ATOM 0 HG3 ARG A 333 24.089 9.079 5.877 1.00 1.77 H new ATOM 0 HD2 ARG A 333 22.560 10.863 3.942 1.00 1.94 H new ATOM 0 HD3 ARG A 333 22.554 11.047 5.685 1.00 1.94 H new ATOM 0 HE ARG A 333 25.264 11.042 4.665 1.00 2.17 H new ATOM 0 HH11 ARG A 333 22.354 13.019 5.026 1.00 2.82 H new ATOM 0 HH12 ARG A 333 23.247 14.542 4.979 1.00 2.82 H new ATOM 0 HH21 ARG A 333 26.392 13.014 4.609 1.00 2.93 H new ATOM 0 HH22 ARG A 333 25.510 14.539 4.745 1.00 2.93 H new ATOM 996 N LEU A 334 23.684 6.320 5.950 1.00 1.62 N ATOM 997 CA LEU A 334 23.929 5.819 7.295 1.00 1.83 C ATOM 998 C LEU A 334 24.266 4.330 7.272 1.00 1.77 C ATOM 999 O LEU A 334 24.768 3.784 8.253 1.00 1.95 O ATOM 1000 CB LEU A 334 22.697 6.045 8.177 1.00 1.98 C ATOM 1001 CG LEU A 334 22.171 7.482 8.215 1.00 2.10 C ATOM 1002 CD1 LEU A 334 20.955 7.578 9.122 1.00 2.43 C ATOM 1003 CD2 LEU A 334 23.256 8.441 8.683 1.00 2.23 C ATOM 0 H LEU A 334 22.697 6.412 5.710 1.00 1.62 H new ATOM 0 HA LEU A 334 24.778 6.365 7.705 1.00 1.83 H new ATOM 0 HB2 LEU A 334 21.897 5.392 7.828 1.00 1.98 H new ATOM 0 HB3 LEU A 334 22.938 5.737 9.194 1.00 1.98 H new ATOM 0 HG LEU A 334 21.876 7.764 7.204 1.00 2.10 H new ATOM 0 HD11 LEU A 334 20.593 8.606 9.138 1.00 2.43 H new ATOM 0 HD12 LEU A 334 20.169 6.923 8.747 1.00 2.43 H new ATOM 0 HD13 LEU A 334 21.230 7.274 10.132 1.00 2.43 H new ATOM 0 HD21 LEU A 334 22.860 9.456 8.702 1.00 2.23 H new ATOM 0 HD22 LEU A 334 23.583 8.160 9.684 1.00 2.23 H new ATOM 0 HD23 LEU A 334 24.103 8.395 7.998 1.00 2.23 H new ATOM 1015 N HIS A 335 23.977 3.673 6.158 1.00 1.57 N ATOM 1016 CA HIS A 335 24.203 2.241 6.046 1.00 1.57 C ATOM 1017 C HIS A 335 24.774 1.890 4.679 1.00 1.42 C ATOM 1018 O HIS A 335 24.020 1.655 3.737 1.00 1.25 O ATOM 1019 CB HIS A 335 22.890 1.484 6.266 1.00 1.57 C ATOM 1020 CG HIS A 335 23.064 0.013 6.507 1.00 2.04 C ATOM 1021 ND1 HIS A 335 22.986 -0.553 7.759 1.00 2.46 N ATOM 1022 CD2 HIS A 335 23.303 -1.009 5.650 1.00 2.70 C ATOM 1023 CE1 HIS A 335 23.167 -1.857 7.662 1.00 2.90 C ATOM 1024 NE2 HIS A 335 23.358 -2.159 6.395 1.00 3.03 N ATOM 0 H HIS A 335 23.587 4.108 5.322 1.00 1.57 H new ATOM 0 HA HIS A 335 24.923 1.948 6.810 1.00 1.57 H new ATOM 0 HB2 HIS A 335 22.369 1.922 7.118 1.00 1.57 H new ATOM 0 HB3 HIS A 335 22.251 1.625 5.394 1.00 1.57 H new ATOM 0 HD2 HIS A 335 23.427 -0.932 4.580 1.00 2.70 H new ATOM 0 HE1 HIS A 335 23.160 -2.558 8.484 1.00 2.90 H new ATOM 0 HE2 HIS A 335 23.521 -3.096 6.027 1.00 3.03 H new ATOM 1033 N PRO A 336 26.105 1.860 4.542 1.00 1.54 N ATOM 1034 CA PRO A 336 26.746 1.452 3.292 1.00 1.50 C ATOM 1035 C PRO A 336 26.235 0.091 2.823 1.00 1.49 C ATOM 1036 O PRO A 336 26.249 -0.884 3.582 1.00 1.64 O ATOM 1037 CB PRO A 336 28.229 1.376 3.659 1.00 1.74 C ATOM 1038 CG PRO A 336 28.382 2.300 4.817 1.00 1.98 C ATOM 1039 CD PRO A 336 27.087 2.232 5.576 1.00 1.78 C ATOM 0 HA PRO A 336 26.541 2.141 2.472 1.00 1.50 H new ATOM 0 HB2 PRO A 336 28.520 0.359 3.923 1.00 1.74 H new ATOM 0 HB3 PRO A 336 28.859 1.681 2.824 1.00 1.74 H new ATOM 0 HG2 PRO A 336 29.220 2.000 5.447 1.00 1.98 H new ATOM 0 HG3 PRO A 336 28.584 3.317 4.481 1.00 1.98 H new ATOM 0 HD2 PRO A 336 27.128 1.493 6.376 1.00 1.78 H new ATOM 0 HD3 PRO A 336 26.841 3.188 6.038 1.00 1.78 H new ATOM 1047 N GLY A 337 25.767 0.031 1.585 1.00 1.38 N ATOM 1048 CA GLY A 337 25.230 -1.206 1.054 1.00 1.46 C ATOM 1049 C GLY A 337 23.712 -1.262 1.117 1.00 1.34 C ATOM 1050 O GLY A 337 23.095 -2.138 0.505 1.00 1.40 O ATOM 0 H GLY A 337 25.749 0.818 0.937 1.00 1.38 H new ATOM 0 HA2 GLY A 337 25.551 -1.322 0.019 1.00 1.46 H new ATOM 0 HA3 GLY A 337 25.644 -2.046 1.612 1.00 1.46 H new ATOM 1054 N CYS A 338 23.107 -0.337 1.861 1.00 1.24 N ATOM 1055 CA CYS A 338 21.655 -0.293 1.990 1.00 1.18 C ATOM 1056 C CYS A 338 21.011 0.061 0.653 1.00 1.13 C ATOM 1057 O CYS A 338 21.538 0.882 -0.105 1.00 1.14 O ATOM 1058 CB CYS A 338 21.240 0.725 3.059 1.00 1.22 C ATOM 1059 SG CYS A 338 19.466 0.775 3.399 1.00 1.51 S ATOM 0 H CYS A 338 23.600 0.389 2.381 1.00 1.24 H new ATOM 0 HA CYS A 338 21.309 -1.281 2.295 1.00 1.18 H new ATOM 0 HB2 CYS A 338 21.768 0.496 3.985 1.00 1.22 H new ATOM 0 HB3 CYS A 338 21.565 1.717 2.744 1.00 1.22 H new ATOM 0 HG CYS A 338 19.225 1.664 4.316 1.00 1.51 H new ATOM 1065 N GLY A 339 19.882 -0.565 0.365 1.00 1.14 N ATOM 1066 CA GLY A 339 19.198 -0.322 -0.889 1.00 1.19 C ATOM 1067 C GLY A 339 19.073 -1.576 -1.732 1.00 1.24 C ATOM 1068 O GLY A 339 18.017 -2.199 -1.748 1.00 1.20 O ATOM 0 H GLY A 339 19.425 -1.239 0.978 1.00 1.14 H new ATOM 0 HA2 GLY A 339 18.204 0.077 -0.686 1.00 1.19 H new ATOM 0 HA3 GLY A 339 19.738 0.439 -1.453 1.00 1.19 H new ATOM 1072 N PRO A 340 20.155 -1.987 -2.426 1.00 1.40 N ATOM 1073 CA PRO A 340 20.138 -3.152 -3.325 1.00 1.55 C ATOM 1074 C PRO A 340 19.682 -4.444 -2.651 1.00 1.50 C ATOM 1075 O PRO A 340 19.116 -5.317 -3.304 1.00 1.61 O ATOM 1076 CB PRO A 340 21.597 -3.285 -3.770 1.00 1.80 C ATOM 1077 CG PRO A 340 22.174 -1.926 -3.598 1.00 1.74 C ATOM 1078 CD PRO A 340 21.475 -1.331 -2.410 1.00 1.53 C ATOM 0 HA PRO A 340 19.428 -3.001 -4.138 1.00 1.55 H new ATOM 0 HB2 PRO A 340 22.129 -4.020 -3.166 1.00 1.80 H new ATOM 0 HB3 PRO A 340 21.666 -3.615 -4.807 1.00 1.80 H new ATOM 0 HG2 PRO A 340 23.250 -1.976 -3.433 1.00 1.74 H new ATOM 0 HG3 PRO A 340 22.016 -1.319 -4.489 1.00 1.74 H new ATOM 0 HD2 PRO A 340 22.013 -1.534 -1.484 1.00 1.53 H new ATOM 0 HD3 PRO A 340 21.387 -0.248 -2.497 1.00 1.53 H new ATOM 1086 N HIS A 341 19.939 -4.579 -1.353 1.00 1.42 N ATOM 1087 CA HIS A 341 19.558 -5.795 -0.642 1.00 1.48 C ATOM 1088 C HIS A 341 18.541 -5.493 0.448 1.00 1.23 C ATOM 1089 O HIS A 341 18.040 -6.395 1.116 1.00 1.29 O ATOM 1090 CB HIS A 341 20.790 -6.466 -0.022 1.00 1.76 C ATOM 1091 CG HIS A 341 21.269 -5.824 1.247 1.00 1.97 C ATOM 1092 ND1 HIS A 341 22.061 -4.699 1.272 1.00 2.03 N ATOM 1093 CD2 HIS A 341 21.034 -6.140 2.546 1.00 2.67 C ATOM 1094 CE1 HIS A 341 22.285 -4.348 2.521 1.00 2.64 C ATOM 1095 NE2 HIS A 341 21.674 -5.206 3.313 1.00 3.12 N ATOM 0 H HIS A 341 20.402 -3.874 -0.780 1.00 1.42 H new ATOM 0 HA HIS A 341 19.106 -6.474 -1.365 1.00 1.48 H new ATOM 0 HB2 HIS A 341 20.557 -7.512 0.179 1.00 1.76 H new ATOM 0 HB3 HIS A 341 21.601 -6.454 -0.750 1.00 1.76 H new ATOM 0 HD1 HIS A 341 22.419 -4.212 0.450 1.00 2.03 H new ATOM 0 HD2 HIS A 341 20.450 -6.974 2.907 1.00 2.67 H new ATOM 0 HE1 HIS A 341 22.871 -3.500 2.842 1.00 2.64 H new ATOM 1104 N THR A 342 18.258 -4.226 0.643 1.00 1.02 N ATOM 1105 CA THR A 342 17.400 -3.817 1.732 1.00 0.85 C ATOM 1106 C THR A 342 15.974 -3.609 1.244 1.00 0.77 C ATOM 1107 O THR A 342 15.697 -2.674 0.495 1.00 0.87 O ATOM 1108 CB THR A 342 17.921 -2.514 2.357 1.00 0.85 C ATOM 1109 OG1 THR A 342 19.353 -2.567 2.460 1.00 0.95 O ATOM 1110 CG2 THR A 342 17.325 -2.303 3.739 1.00 0.94 C ATOM 0 H THR A 342 18.608 -3.462 0.064 1.00 1.02 H new ATOM 0 HA THR A 342 17.405 -4.607 2.483 1.00 0.85 H new ATOM 0 HB THR A 342 17.625 -1.683 1.717 1.00 0.85 H new ATOM 0 HG1 THR A 342 19.635 -2.171 3.311 1.00 0.95 H new ATOM 0 HG21 THR A 342 17.708 -1.374 4.162 1.00 0.94 H new ATOM 0 HG22 THR A 342 16.239 -2.246 3.662 1.00 0.94 H new ATOM 0 HG23 THR A 342 17.600 -3.137 4.385 1.00 0.94 H new ATOM 1118 N THR A 343 15.068 -4.464 1.689 1.00 0.75 N ATOM 1119 CA THR A 343 13.681 -4.354 1.292 1.00 0.69 C ATOM 1120 C THR A 343 12.816 -3.882 2.456 1.00 0.62 C ATOM 1121 O THR A 343 12.881 -4.420 3.559 1.00 0.70 O ATOM 1122 CB THR A 343 13.137 -5.685 0.750 1.00 0.86 C ATOM 1123 OG1 THR A 343 14.061 -6.261 -0.187 1.00 1.07 O ATOM 1124 CG2 THR A 343 11.804 -5.454 0.065 1.00 0.90 C ATOM 0 H THR A 343 15.270 -5.237 2.322 1.00 0.75 H new ATOM 0 HA THR A 343 13.637 -3.615 0.492 1.00 0.69 H new ATOM 0 HB THR A 343 13.005 -6.372 1.586 1.00 0.86 H new ATOM 0 HG1 THR A 343 13.701 -7.109 -0.522 1.00 1.07 H new ATOM 0 HG21 THR A 343 11.423 -6.401 -0.318 1.00 0.90 H new ATOM 0 HG22 THR A 343 11.094 -5.039 0.781 1.00 0.90 H new ATOM 0 HG23 THR A 343 11.936 -4.756 -0.761 1.00 0.90 H new ATOM 1132 N PHE A 344 12.026 -2.858 2.202 1.00 0.56 N ATOM 1133 CA PHE A 344 11.133 -2.294 3.199 1.00 0.56 C ATOM 1134 C PHE A 344 9.704 -2.708 2.906 1.00 0.55 C ATOM 1135 O PHE A 344 9.311 -2.850 1.748 1.00 0.66 O ATOM 1136 CB PHE A 344 11.227 -0.774 3.177 1.00 0.67 C ATOM 1137 CG PHE A 344 12.462 -0.199 3.818 1.00 0.75 C ATOM 1138 CD1 PHE A 344 13.715 -0.402 3.260 1.00 0.78 C ATOM 1139 CD2 PHE A 344 12.364 0.572 4.966 1.00 1.38 C ATOM 1140 CE1 PHE A 344 14.844 0.147 3.836 1.00 1.11 C ATOM 1141 CE2 PHE A 344 13.492 1.120 5.548 1.00 1.80 C ATOM 1142 CZ PHE A 344 14.732 0.908 4.981 1.00 1.59 C ATOM 0 H PHE A 344 11.984 -2.391 1.296 1.00 0.56 H new ATOM 0 HA PHE A 344 11.425 -2.664 4.182 1.00 0.56 H new ATOM 0 HB2 PHE A 344 11.185 -0.438 2.141 1.00 0.67 H new ATOM 0 HB3 PHE A 344 10.351 -0.364 3.681 1.00 0.67 H new ATOM 0 HD1 PHE A 344 13.809 -0.997 2.364 1.00 0.78 H new ATOM 0 HD2 PHE A 344 11.395 0.747 5.411 1.00 1.38 H new ATOM 0 HE1 PHE A 344 15.814 -0.019 3.390 1.00 1.11 H new ATOM 0 HE2 PHE A 344 13.403 1.714 6.446 1.00 1.80 H new ATOM 0 HZ PHE A 344 15.614 1.337 5.433 1.00 1.59 H new ATOM 1152 N ARG A 345 8.936 -2.914 3.953 1.00 0.52 N ATOM 1153 CA ARG A 345 7.547 -3.276 3.802 1.00 0.53 C ATOM 1154 C ARG A 345 6.683 -2.593 4.852 1.00 0.60 C ATOM 1155 O ARG A 345 7.098 -2.421 5.999 1.00 0.71 O ATOM 1156 CB ARG A 345 7.370 -4.804 3.839 1.00 0.63 C ATOM 1157 CG ARG A 345 8.351 -5.568 4.715 1.00 0.97 C ATOM 1158 CD ARG A 345 8.291 -5.102 6.138 1.00 1.13 C ATOM 1159 NE ARG A 345 9.309 -5.736 6.970 1.00 1.56 N ATOM 1160 CZ ARG A 345 9.041 -6.639 7.917 1.00 2.17 C ATOM 1161 NH1 ARG A 345 7.790 -7.011 8.157 1.00 2.72 N ATOM 1162 NH2 ARG A 345 10.032 -7.168 8.629 1.00 2.72 N ATOM 0 H ARG A 345 9.252 -2.836 4.920 1.00 0.52 H new ATOM 0 HA ARG A 345 7.213 -2.926 2.825 1.00 0.53 H new ATOM 0 HB2 ARG A 345 6.359 -5.025 4.182 1.00 0.63 H new ATOM 0 HB3 ARG A 345 7.451 -5.184 2.821 1.00 0.63 H new ATOM 0 HG2 ARG A 345 8.128 -6.634 4.670 1.00 0.97 H new ATOM 0 HG3 ARG A 345 9.362 -5.438 4.330 1.00 0.97 H new ATOM 0 HD2 ARG A 345 8.420 -4.020 6.170 1.00 1.13 H new ATOM 0 HD3 ARG A 345 7.304 -5.317 6.548 1.00 1.13 H new ATOM 0 HE ARG A 345 10.283 -5.474 6.819 1.00 1.56 H new ATOM 0 HH11 ARG A 345 7.025 -6.607 7.617 1.00 2.72 H new ATOM 0 HH12 ARG A 345 7.593 -7.701 8.882 1.00 2.72 H new ATOM 0 HH21 ARG A 345 10.995 -6.884 8.452 1.00 2.72 H new ATOM 0 HH22 ARG A 345 9.829 -7.858 9.352 1.00 2.72 H new ATOM 1176 N TRP A 346 5.500 -2.167 4.448 1.00 0.68 N ATOM 1177 CA TRP A 346 4.522 -1.655 5.387 1.00 0.87 C ATOM 1178 C TRP A 346 3.173 -2.290 5.106 1.00 0.83 C ATOM 1179 O TRP A 346 2.755 -2.412 3.955 1.00 0.82 O ATOM 1180 CB TRP A 346 4.452 -0.112 5.394 1.00 1.20 C ATOM 1181 CG TRP A 346 3.791 0.540 4.212 1.00 1.26 C ATOM 1182 CD1 TRP A 346 2.479 0.451 3.856 1.00 1.31 C ATOM 1183 CD2 TRP A 346 4.399 1.437 3.275 1.00 1.83 C ATOM 1184 NE1 TRP A 346 2.239 1.202 2.731 1.00 1.85 N ATOM 1185 CE2 TRP A 346 3.401 1.824 2.360 1.00 2.27 C ATOM 1186 CE3 TRP A 346 5.692 1.942 3.112 1.00 2.19 C ATOM 1187 CZ2 TRP A 346 3.654 2.692 1.303 1.00 3.10 C ATOM 1188 CZ3 TRP A 346 5.940 2.807 2.064 1.00 3.00 C ATOM 1189 CH2 TRP A 346 4.926 3.174 1.170 1.00 3.46 C ATOM 0 H TRP A 346 5.194 -2.166 3.475 1.00 0.68 H new ATOM 0 HA TRP A 346 4.837 -1.931 6.393 1.00 0.87 H new ATOM 0 HB2 TRP A 346 3.923 0.200 6.294 1.00 1.20 H new ATOM 0 HB3 TRP A 346 5.468 0.274 5.471 1.00 1.20 H new ATOM 0 HD1 TRP A 346 1.734 -0.127 4.383 1.00 1.31 H new ATOM 0 HE1 TRP A 346 1.343 1.283 2.251 1.00 1.85 H new ATOM 0 HE3 TRP A 346 6.482 1.661 3.793 1.00 2.19 H new ATOM 0 HZ2 TRP A 346 2.873 2.975 0.612 1.00 3.10 H new ATOM 0 HZ3 TRP A 346 6.934 3.208 1.931 1.00 3.00 H new ATOM 0 HH2 TRP A 346 5.154 3.851 0.360 1.00 3.46 H new ATOM 1200 N GLN A 347 2.528 -2.756 6.151 1.00 0.92 N ATOM 1201 CA GLN A 347 1.276 -3.467 6.009 1.00 0.94 C ATOM 1202 C GLN A 347 0.140 -2.584 6.503 1.00 1.23 C ATOM 1203 O GLN A 347 0.090 -2.209 7.676 1.00 1.48 O ATOM 1204 CB GLN A 347 1.364 -4.786 6.789 1.00 0.98 C ATOM 1205 CG GLN A 347 0.312 -5.839 6.438 1.00 1.10 C ATOM 1206 CD GLN A 347 -1.107 -5.422 6.771 1.00 1.34 C ATOM 1207 OE1 GLN A 347 -1.574 -5.606 7.895 1.00 1.68 O ATOM 1208 NE2 GLN A 347 -1.811 -4.895 5.786 1.00 1.83 N ATOM 0 H GLN A 347 2.851 -2.655 7.113 1.00 0.92 H new ATOM 0 HA GLN A 347 1.079 -3.706 4.964 1.00 0.94 H new ATOM 0 HB2 GLN A 347 2.351 -5.218 6.625 1.00 0.98 H new ATOM 0 HB3 GLN A 347 1.286 -4.563 7.853 1.00 0.98 H new ATOM 0 HG2 GLN A 347 0.375 -6.061 5.373 1.00 1.10 H new ATOM 0 HG3 GLN A 347 0.544 -6.762 6.970 1.00 1.10 H new ATOM 0 HE21 GLN A 347 -1.384 -4.760 4.869 1.00 1.83 H new ATOM 0 HE22 GLN A 347 -2.782 -4.623 5.942 1.00 1.83 H new ATOM 1217 N VAL A 348 -0.758 -2.247 5.596 1.00 1.29 N ATOM 1218 CA VAL A 348 -1.888 -1.396 5.913 1.00 1.62 C ATOM 1219 C VAL A 348 -3.176 -2.204 6.015 1.00 1.60 C ATOM 1220 O VAL A 348 -3.655 -2.759 5.023 1.00 1.47 O ATOM 1221 CB VAL A 348 -2.079 -0.291 4.857 1.00 1.87 C ATOM 1222 CG1 VAL A 348 -3.412 0.405 5.064 1.00 2.19 C ATOM 1223 CG2 VAL A 348 -0.935 0.708 4.921 1.00 2.07 C ATOM 0 H VAL A 348 -0.725 -2.554 4.624 1.00 1.29 H new ATOM 0 HA VAL A 348 -1.670 -0.936 6.877 1.00 1.62 H new ATOM 0 HB VAL A 348 -2.077 -0.747 3.867 1.00 1.87 H new ATOM 0 HG11 VAL A 348 -3.536 1.184 4.312 1.00 2.19 H new ATOM 0 HG12 VAL A 348 -4.220 -0.321 4.971 1.00 2.19 H new ATOM 0 HG13 VAL A 348 -3.438 0.852 6.058 1.00 2.19 H new ATOM 0 HG21 VAL A 348 -1.085 1.482 4.168 1.00 2.07 H new ATOM 0 HG22 VAL A 348 -0.906 1.165 5.910 1.00 2.07 H new ATOM 0 HG23 VAL A 348 0.007 0.195 4.730 1.00 2.07 H new ATOM 1233 N LYS A 349 -3.720 -2.289 7.217 1.00 1.80 N ATOM 1234 CA LYS A 349 -5.020 -2.905 7.416 1.00 1.85 C ATOM 1235 C LYS A 349 -6.118 -1.897 7.102 1.00 2.22 C ATOM 1236 O LYS A 349 -6.266 -0.887 7.792 1.00 2.63 O ATOM 1237 CB LYS A 349 -5.156 -3.435 8.843 1.00 2.07 C ATOM 1238 CG LYS A 349 -4.222 -4.598 9.139 1.00 2.07 C ATOM 1239 CD LYS A 349 -4.340 -5.070 10.577 1.00 2.29 C ATOM 1240 CE LYS A 349 -3.474 -6.295 10.837 1.00 2.67 C ATOM 1241 NZ LYS A 349 -2.037 -6.040 10.544 1.00 3.18 N ATOM 0 H LYS A 349 -3.282 -1.939 8.069 1.00 1.80 H new ATOM 0 HA LYS A 349 -5.118 -3.753 6.738 1.00 1.85 H new ATOM 0 HB2 LYS A 349 -4.954 -2.626 9.545 1.00 2.07 H new ATOM 0 HB3 LYS A 349 -6.185 -3.752 9.010 1.00 2.07 H new ATOM 0 HG2 LYS A 349 -4.448 -5.425 8.466 1.00 2.07 H new ATOM 0 HG3 LYS A 349 -3.194 -4.297 8.939 1.00 2.07 H new ATOM 0 HD2 LYS A 349 -4.045 -4.265 11.250 1.00 2.29 H new ATOM 0 HD3 LYS A 349 -5.381 -5.306 10.799 1.00 2.29 H new ATOM 0 HE2 LYS A 349 -3.582 -6.600 11.878 1.00 2.67 H new ATOM 0 HE3 LYS A 349 -3.827 -7.124 10.223 1.00 2.67 H new ATOM 0 HZ1 LYS A 349 -1.450 -6.724 11.063 1.00 3.18 H new ATOM 0 HZ2 LYS A 349 -1.867 -6.143 9.523 1.00 3.18 H new ATOM 0 HZ3 LYS A 349 -1.788 -5.075 10.841 1.00 3.18 H new ATOM 1255 N LEU A 350 -6.866 -2.162 6.043 1.00 2.25 N ATOM 1256 CA LEU A 350 -7.886 -1.238 5.580 1.00 2.70 C ATOM 1257 C LEU A 350 -9.231 -1.567 6.215 1.00 2.71 C ATOM 1258 O LEU A 350 -9.506 -2.718 6.557 1.00 2.61 O ATOM 1259 CB LEU A 350 -7.995 -1.296 4.052 1.00 3.11 C ATOM 1260 CG LEU A 350 -8.938 -0.269 3.420 1.00 3.82 C ATOM 1261 CD1 LEU A 350 -8.444 1.145 3.681 1.00 4.37 C ATOM 1262 CD2 LEU A 350 -9.072 -0.524 1.930 1.00 4.52 C ATOM 0 H LEU A 350 -6.785 -3.013 5.487 1.00 2.25 H new ATOM 0 HA LEU A 350 -7.601 -0.229 5.876 1.00 2.70 H new ATOM 0 HB2 LEU A 350 -7.000 -1.159 3.629 1.00 3.11 H new ATOM 0 HB3 LEU A 350 -8.328 -2.294 3.766 1.00 3.11 H new ATOM 0 HG LEU A 350 -9.921 -0.374 3.878 1.00 3.82 H new ATOM 0 HD11 LEU A 350 -9.128 1.860 3.224 1.00 4.37 H new ATOM 0 HD12 LEU A 350 -8.399 1.322 4.756 1.00 4.37 H new ATOM 0 HD13 LEU A 350 -7.450 1.268 3.251 1.00 4.37 H new ATOM 0 HD21 LEU A 350 -9.745 0.214 1.494 1.00 4.52 H new ATOM 0 HD22 LEU A 350 -8.093 -0.445 1.458 1.00 4.52 H new ATOM 0 HD23 LEU A 350 -9.474 -1.524 1.767 1.00 4.52 H new ATOM 1274 N ARG A 351 -10.053 -0.545 6.393 1.00 3.14 N ATOM 1275 CA ARG A 351 -11.386 -0.732 6.932 1.00 3.36 C ATOM 1276 C ARG A 351 -12.368 -0.987 5.802 1.00 3.30 C ATOM 1277 O ARG A 351 -12.212 -0.433 4.712 1.00 3.63 O ATOM 1278 CB ARG A 351 -11.818 0.490 7.744 1.00 4.12 C ATOM 1279 CG ARG A 351 -10.945 0.747 8.957 1.00 4.71 C ATOM 1280 CD ARG A 351 -11.441 1.937 9.753 1.00 5.40 C ATOM 1281 NE ARG A 351 -10.623 2.182 10.934 1.00 5.87 N ATOM 1282 CZ ARG A 351 -10.873 3.137 11.826 1.00 6.64 C ATOM 1283 NH1 ARG A 351 -11.929 3.932 11.679 1.00 7.03 N ATOM 1284 NH2 ARG A 351 -10.063 3.292 12.862 1.00 7.28 N ATOM 0 H ARG A 351 -9.818 0.422 6.171 1.00 3.14 H new ATOM 0 HA ARG A 351 -11.375 -1.596 7.597 1.00 3.36 H new ATOM 0 HB2 ARG A 351 -11.800 1.369 7.100 1.00 4.12 H new ATOM 0 HB3 ARG A 351 -12.849 0.354 8.070 1.00 4.12 H new ATOM 0 HG2 ARG A 351 -10.933 -0.138 9.593 1.00 4.71 H new ATOM 0 HG3 ARG A 351 -9.918 0.924 8.637 1.00 4.71 H new ATOM 0 HD2 ARG A 351 -11.438 2.824 9.119 1.00 5.40 H new ATOM 0 HD3 ARG A 351 -12.474 1.765 10.056 1.00 5.40 H new ATOM 0 HE ARG A 351 -9.810 1.585 11.086 1.00 5.87 H new ATOM 0 HH11 ARG A 351 -12.551 3.811 10.880 1.00 7.03 H new ATOM 0 HH12 ARG A 351 -12.117 4.663 12.365 1.00 7.03 H new ATOM 0 HH21 ARG A 351 -9.253 2.681 12.972 1.00 7.28 H new ATOM 0 HH22 ARG A 351 -10.249 4.022 13.550 1.00 7.28 H new ATOM 1298 N ASN A 352 -13.371 -1.816 6.089 1.00 3.11 N ATOM 1299 CA ASN A 352 -14.375 -2.230 5.111 1.00 3.07 C ATOM 1300 C ASN A 352 -13.772 -3.209 4.114 1.00 2.54 C ATOM 1301 O ASN A 352 -13.039 -2.814 3.210 1.00 2.97 O ATOM 1302 CB ASN A 352 -14.986 -1.029 4.374 1.00 3.40 C ATOM 1303 CG ASN A 352 -15.715 -0.075 5.303 1.00 3.96 C ATOM 1304 OD1 ASN A 352 -16.281 -0.482 6.320 1.00 4.25 O ATOM 1305 ND2 ASN A 352 -15.704 1.203 4.962 1.00 4.59 N ATOM 0 H ASN A 352 -13.510 -2.222 7.014 1.00 3.11 H new ATOM 0 HA ASN A 352 -15.178 -2.725 5.657 1.00 3.07 H new ATOM 0 HB2 ASN A 352 -14.196 -0.488 3.853 1.00 3.40 H new ATOM 0 HB3 ASN A 352 -15.680 -1.390 3.614 1.00 3.40 H new ATOM 0 HD21 ASN A 352 -16.175 1.891 5.549 1.00 4.59 H new ATOM 0 HD22 ASN A 352 -15.224 1.500 4.112 1.00 4.59 H new ATOM 1312 N LEU A 353 -14.060 -4.494 4.320 1.00 1.99 N ATOM 1313 CA LEU A 353 -13.601 -5.552 3.428 1.00 1.68 C ATOM 1314 C LEU A 353 -13.827 -5.198 1.962 1.00 1.33 C ATOM 1315 O LEU A 353 -14.911 -4.765 1.570 1.00 1.33 O ATOM 1316 CB LEU A 353 -14.284 -6.881 3.787 1.00 1.81 C ATOM 1317 CG LEU A 353 -15.798 -6.817 4.036 1.00 2.28 C ATOM 1318 CD1 LEU A 353 -16.582 -6.998 2.743 1.00 2.69 C ATOM 1319 CD2 LEU A 353 -16.205 -7.864 5.058 1.00 2.93 C ATOM 0 H LEU A 353 -14.616 -4.827 5.107 1.00 1.99 H new ATOM 0 HA LEU A 353 -12.525 -5.662 3.565 1.00 1.68 H new ATOM 0 HB2 LEU A 353 -14.099 -7.591 2.981 1.00 1.81 H new ATOM 0 HB3 LEU A 353 -13.806 -7.282 4.681 1.00 1.81 H new ATOM 0 HG LEU A 353 -16.034 -5.828 4.429 1.00 2.28 H new ATOM 0 HD11 LEU A 353 -17.650 -6.947 2.955 1.00 2.69 H new ATOM 0 HD12 LEU A 353 -16.314 -6.208 2.041 1.00 2.69 H new ATOM 0 HD13 LEU A 353 -16.344 -7.968 2.306 1.00 2.69 H new ATOM 0 HD21 LEU A 353 -17.280 -7.809 5.227 1.00 2.93 H new ATOM 0 HD22 LEU A 353 -15.946 -8.855 4.686 1.00 2.93 H new ATOM 0 HD23 LEU A 353 -15.681 -7.680 5.996 1.00 2.93 H new ATOM 1331 N ILE A 354 -12.797 -5.384 1.158 1.00 1.20 N ATOM 1332 CA ILE A 354 -12.850 -5.009 -0.245 1.00 1.07 C ATOM 1333 C ILE A 354 -12.749 -6.218 -1.145 1.00 1.07 C ATOM 1334 O ILE A 354 -12.434 -7.321 -0.695 1.00 1.21 O ATOM 1335 CB ILE A 354 -11.719 -4.028 -0.621 1.00 1.13 C ATOM 1336 CG1 ILE A 354 -10.408 -4.417 0.077 1.00 1.28 C ATOM 1337 CG2 ILE A 354 -12.134 -2.611 -0.283 1.00 1.20 C ATOM 1338 CD1 ILE A 354 -9.218 -3.584 -0.349 1.00 1.55 C ATOM 0 H ILE A 354 -11.910 -5.794 1.452 1.00 1.20 H new ATOM 0 HA ILE A 354 -13.814 -4.521 -0.390 1.00 1.07 H new ATOM 0 HB ILE A 354 -11.541 -4.082 -1.695 1.00 1.13 H new ATOM 0 HG12 ILE A 354 -10.539 -4.322 1.155 1.00 1.28 H new ATOM 0 HG13 ILE A 354 -10.196 -5.467 -0.127 1.00 1.28 H new ATOM 0 HG21 ILE A 354 -11.332 -1.923 -0.551 1.00 1.20 H new ATOM 0 HG22 ILE A 354 -13.034 -2.353 -0.840 1.00 1.20 H new ATOM 0 HG23 ILE A 354 -12.335 -2.536 0.786 1.00 1.20 H new ATOM 0 HD11 ILE A 354 -8.330 -3.918 0.187 1.00 1.55 H new ATOM 0 HD12 ILE A 354 -9.059 -3.698 -1.421 1.00 1.55 H new ATOM 0 HD13 ILE A 354 -9.407 -2.535 -0.120 1.00 1.55 H new ATOM 1350 N GLU A 355 -13.045 -6.002 -2.416 1.00 1.08 N ATOM 1351 CA GLU A 355 -12.830 -7.017 -3.436 1.00 1.20 C ATOM 1352 C GLU A 355 -11.553 -6.668 -4.180 1.00 1.23 C ATOM 1353 O GLU A 355 -11.591 -5.945 -5.174 1.00 1.21 O ATOM 1354 CB GLU A 355 -14.004 -7.076 -4.423 1.00 1.26 C ATOM 1355 CG GLU A 355 -15.361 -7.236 -3.758 1.00 1.69 C ATOM 1356 CD GLU A 355 -15.550 -8.616 -3.167 1.00 2.01 C ATOM 1357 OE1 GLU A 355 -15.527 -8.736 -1.927 1.00 2.64 O ATOM 1358 OE2 GLU A 355 -15.720 -9.585 -3.936 1.00 2.22 O ATOM 0 H GLU A 355 -13.437 -5.129 -2.768 1.00 1.08 H new ATOM 0 HA GLU A 355 -12.751 -7.995 -2.961 1.00 1.20 H new ATOM 0 HB2 GLU A 355 -14.009 -6.165 -5.021 1.00 1.26 H new ATOM 0 HB3 GLU A 355 -13.847 -7.908 -5.110 1.00 1.26 H new ATOM 0 HG2 GLU A 355 -15.469 -6.488 -2.972 1.00 1.69 H new ATOM 0 HG3 GLU A 355 -16.147 -7.045 -4.489 1.00 1.69 H new ATOM 1365 N PRO A 356 -10.403 -7.170 -3.697 1.00 1.37 N ATOM 1366 CA PRO A 356 -9.081 -6.756 -4.182 1.00 1.47 C ATOM 1367 C PRO A 356 -8.936 -6.910 -5.686 1.00 1.50 C ATOM 1368 O PRO A 356 -8.362 -6.052 -6.351 1.00 1.55 O ATOM 1369 CB PRO A 356 -8.115 -7.696 -3.458 1.00 1.66 C ATOM 1370 CG PRO A 356 -8.857 -8.143 -2.249 1.00 1.62 C ATOM 1371 CD PRO A 356 -10.301 -8.203 -2.652 1.00 1.50 C ATOM 0 HA PRO A 356 -8.897 -5.700 -3.984 1.00 1.47 H new ATOM 0 HB2 PRO A 356 -7.839 -8.541 -4.088 1.00 1.66 H new ATOM 0 HB3 PRO A 356 -7.191 -7.184 -3.189 1.00 1.66 H new ATOM 0 HG2 PRO A 356 -8.504 -9.118 -1.913 1.00 1.62 H new ATOM 0 HG3 PRO A 356 -8.711 -7.448 -1.422 1.00 1.62 H new ATOM 0 HD2 PRO A 356 -10.572 -9.188 -3.032 1.00 1.50 H new ATOM 0 HD3 PRO A 356 -10.962 -7.992 -1.812 1.00 1.50 H new ATOM 1379 N GLU A 357 -9.503 -7.978 -6.221 1.00 1.52 N ATOM 1380 CA GLU A 357 -9.394 -8.264 -7.640 1.00 1.66 C ATOM 1381 C GLU A 357 -10.220 -7.282 -8.458 1.00 1.62 C ATOM 1382 O GLU A 357 -9.956 -7.063 -9.640 1.00 1.77 O ATOM 1383 CB GLU A 357 -9.832 -9.691 -7.915 1.00 1.77 C ATOM 1384 CG GLU A 357 -8.890 -10.706 -7.310 1.00 2.05 C ATOM 1385 CD GLU A 357 -7.629 -10.888 -8.124 1.00 2.54 C ATOM 1386 OE1 GLU A 357 -6.831 -9.929 -8.230 1.00 3.12 O ATOM 1387 OE2 GLU A 357 -7.422 -11.996 -8.659 1.00 2.79 O ATOM 0 H GLU A 357 -10.044 -8.662 -5.692 1.00 1.52 H new ATOM 0 HA GLU A 357 -8.351 -8.151 -7.938 1.00 1.66 H new ATOM 0 HB2 GLU A 357 -10.834 -9.845 -7.515 1.00 1.77 H new ATOM 0 HB3 GLU A 357 -9.891 -9.850 -8.992 1.00 1.77 H new ATOM 0 HG2 GLU A 357 -8.624 -10.393 -6.300 1.00 2.05 H new ATOM 0 HG3 GLU A 357 -9.402 -11.664 -7.222 1.00 2.05 H new ATOM 1394 N GLN A 358 -11.213 -6.677 -7.816 1.00 1.48 N ATOM 1395 CA GLN A 358 -12.037 -5.673 -8.469 1.00 1.50 C ATOM 1396 C GLN A 358 -11.380 -4.307 -8.349 1.00 1.42 C ATOM 1397 O GLN A 358 -11.612 -3.425 -9.174 1.00 1.51 O ATOM 1398 CB GLN A 358 -13.436 -5.596 -7.841 1.00 1.48 C ATOM 1399 CG GLN A 358 -14.217 -6.900 -7.850 1.00 1.58 C ATOM 1400 CD GLN A 358 -14.383 -7.479 -9.243 1.00 1.78 C ATOM 1401 OE1 GLN A 358 -15.330 -7.148 -9.955 1.00 1.94 O ATOM 1402 NE2 GLN A 358 -13.488 -8.367 -9.632 1.00 2.20 N ATOM 0 H GLN A 358 -11.465 -6.865 -6.846 1.00 1.48 H new ATOM 0 HA GLN A 358 -12.135 -5.961 -9.516 1.00 1.50 H new ATOM 0 HB2 GLN A 358 -13.337 -5.257 -6.810 1.00 1.48 H new ATOM 0 HB3 GLN A 358 -14.015 -4.840 -8.371 1.00 1.48 H new ATOM 0 HG2 GLN A 358 -13.707 -7.627 -7.218 1.00 1.58 H new ATOM 0 HG3 GLN A 358 -15.201 -6.731 -7.412 1.00 1.58 H new ATOM 0 HE21 GLN A 358 -12.716 -8.617 -9.014 1.00 2.20 H new ATOM 0 HE22 GLN A 358 -13.568 -8.804 -10.550 1.00 2.20 H new ATOM 1411 N CYS A 359 -10.548 -4.143 -7.326 1.00 1.30 N ATOM 1412 CA CYS A 359 -9.939 -2.882 -7.032 1.00 1.23 C ATOM 1413 C CYS A 359 -8.793 -2.608 -7.988 1.00 1.25 C ATOM 1414 O CYS A 359 -8.114 -3.527 -8.454 1.00 1.37 O ATOM 1415 CB CYS A 359 -9.487 -2.894 -5.586 1.00 1.22 C ATOM 1416 SG CYS A 359 -10.808 -3.260 -4.405 1.00 1.97 S ATOM 0 H CYS A 359 -10.286 -4.892 -6.685 1.00 1.30 H new ATOM 0 HA CYS A 359 -10.656 -2.073 -7.168 1.00 1.23 H new ATOM 0 HB2 CYS A 359 -8.695 -3.633 -5.470 1.00 1.22 H new ATOM 0 HB3 CYS A 359 -9.055 -1.923 -5.343 1.00 1.22 H new ATOM 0 HG CYS A 359 -11.440 -4.333 -4.779 1.00 1.97 H new ATOM 1422 N THR A 360 -8.605 -1.339 -8.283 1.00 1.18 N ATOM 1423 CA THR A 360 -7.688 -0.914 -9.318 1.00 1.25 C ATOM 1424 C THR A 360 -6.651 0.042 -8.743 1.00 1.16 C ATOM 1425 O THR A 360 -6.748 0.460 -7.588 1.00 1.05 O ATOM 1426 CB THR A 360 -8.468 -0.224 -10.461 1.00 1.32 C ATOM 1427 OG1 THR A 360 -7.581 0.264 -11.477 1.00 1.42 O ATOM 1428 CG2 THR A 360 -9.304 0.919 -9.908 1.00 1.24 C ATOM 0 H THR A 360 -9.085 -0.572 -7.811 1.00 1.18 H new ATOM 0 HA THR A 360 -7.174 -1.790 -9.715 1.00 1.25 H new ATOM 0 HB THR A 360 -9.126 -0.966 -10.914 1.00 1.32 H new ATOM 0 HG1 THR A 360 -8.102 0.694 -12.187 1.00 1.42 H new ATOM 0 HG21 THR A 360 -9.849 1.398 -10.721 1.00 1.24 H new ATOM 0 HG22 THR A 360 -10.012 0.531 -9.176 1.00 1.24 H new ATOM 0 HG23 THR A 360 -8.651 1.649 -9.430 1.00 1.24 H new ATOM 1436 N PHE A 361 -5.676 0.398 -9.555 1.00 1.24 N ATOM 1437 CA PHE A 361 -4.613 1.284 -9.125 1.00 1.20 C ATOM 1438 C PHE A 361 -4.488 2.467 -10.071 1.00 1.27 C ATOM 1439 O PHE A 361 -4.954 2.427 -11.210 1.00 1.41 O ATOM 1440 CB PHE A 361 -3.276 0.543 -9.021 1.00 1.32 C ATOM 1441 CG PHE A 361 -2.957 -0.341 -10.199 1.00 1.65 C ATOM 1442 CD1 PHE A 361 -2.525 0.212 -11.394 1.00 2.30 C ATOM 1443 CD2 PHE A 361 -3.092 -1.720 -10.115 1.00 1.69 C ATOM 1444 CE1 PHE A 361 -2.235 -0.591 -12.482 1.00 3.04 C ATOM 1445 CE2 PHE A 361 -2.803 -2.528 -11.198 1.00 2.28 C ATOM 1446 CZ PHE A 361 -2.364 -1.981 -12.366 1.00 3.01 C ATOM 0 H PHE A 361 -5.598 0.085 -10.523 1.00 1.24 H new ATOM 0 HA PHE A 361 -4.871 1.653 -8.132 1.00 1.20 H new ATOM 0 HB2 PHE A 361 -2.477 1.276 -8.906 1.00 1.32 H new ATOM 0 HB3 PHE A 361 -3.282 -0.066 -8.117 1.00 1.32 H new ATOM 0 HD1 PHE A 361 -2.413 1.283 -11.477 1.00 2.30 H new ATOM 0 HD2 PHE A 361 -3.427 -2.167 -9.191 1.00 1.69 H new ATOM 0 HE1 PHE A 361 -1.912 -0.150 -13.413 1.00 3.04 H new ATOM 0 HE2 PHE A 361 -2.926 -3.598 -11.118 1.00 2.28 H new ATOM 0 HZ PHE A 361 -2.116 -2.618 -13.202 1.00 3.01 H new ATOM 1456 N CYS A 362 -3.843 3.504 -9.587 1.00 1.21 N ATOM 1457 CA CYS A 362 -3.734 4.766 -10.287 1.00 1.30 C ATOM 1458 C CYS A 362 -2.378 5.400 -9.989 1.00 1.28 C ATOM 1459 O CYS A 362 -1.903 5.345 -8.862 1.00 1.10 O ATOM 1460 CB CYS A 362 -4.875 5.680 -9.835 1.00 1.25 C ATOM 1461 SG CYS A 362 -6.492 5.236 -10.515 1.00 1.74 S ATOM 0 H CYS A 362 -3.372 3.495 -8.682 1.00 1.21 H new ATOM 0 HA CYS A 362 -3.809 4.611 -11.363 1.00 1.30 H new ATOM 0 HB2 CYS A 362 -4.933 5.660 -8.747 1.00 1.25 H new ATOM 0 HB3 CYS A 362 -4.641 6.705 -10.123 1.00 1.25 H new ATOM 0 HG CYS A 362 -7.333 5.043 -9.543 1.00 1.74 H new ATOM 1467 N PHE A 363 -1.735 5.976 -10.989 1.00 1.51 N ATOM 1468 CA PHE A 363 -0.390 6.495 -10.794 1.00 1.52 C ATOM 1469 C PHE A 363 -0.288 7.971 -11.159 1.00 1.64 C ATOM 1470 O PHE A 363 -0.667 8.376 -12.260 1.00 1.92 O ATOM 1471 CB PHE A 363 0.609 5.690 -11.621 1.00 1.77 C ATOM 1472 CG PHE A 363 0.609 4.217 -11.319 1.00 1.76 C ATOM 1473 CD1 PHE A 363 0.542 3.758 -10.013 1.00 1.56 C ATOM 1474 CD2 PHE A 363 0.682 3.291 -12.346 1.00 2.03 C ATOM 1475 CE1 PHE A 363 0.551 2.405 -9.737 1.00 1.66 C ATOM 1476 CE2 PHE A 363 0.691 1.937 -12.078 1.00 2.11 C ATOM 1477 CZ PHE A 363 0.623 1.493 -10.772 1.00 1.94 C ATOM 0 H PHE A 363 -2.112 6.096 -11.929 1.00 1.51 H new ATOM 0 HA PHE A 363 -0.155 6.397 -9.734 1.00 1.52 H new ATOM 0 HB2 PHE A 363 0.388 5.833 -12.679 1.00 1.77 H new ATOM 0 HB3 PHE A 363 1.610 6.086 -11.448 1.00 1.77 H new ATOM 0 HD1 PHE A 363 0.482 4.467 -9.201 1.00 1.56 H new ATOM 0 HD2 PHE A 363 0.733 3.632 -13.369 1.00 2.03 H new ATOM 0 HE1 PHE A 363 0.502 2.061 -8.715 1.00 1.66 H new ATOM 0 HE2 PHE A 363 0.751 1.226 -12.888 1.00 2.11 H new ATOM 0 HZ PHE A 363 0.626 0.434 -10.560 1.00 1.94 H new ATOM 1487 N THR A 364 0.213 8.772 -10.224 1.00 1.49 N ATOM 1488 CA THR A 364 0.531 10.160 -10.495 1.00 1.63 C ATOM 1489 C THR A 364 2.041 10.351 -10.522 1.00 1.61 C ATOM 1490 O THR A 364 2.791 9.371 -10.471 1.00 1.61 O ATOM 1491 CB THR A 364 -0.122 11.117 -9.479 1.00 1.53 C ATOM 1492 OG1 THR A 364 0.205 10.746 -8.138 1.00 1.24 O ATOM 1493 CG2 THR A 364 -1.623 11.114 -9.658 1.00 1.76 C ATOM 0 H THR A 364 0.407 8.476 -9.267 1.00 1.49 H new ATOM 0 HA THR A 364 0.119 10.409 -11.473 1.00 1.63 H new ATOM 0 HB THR A 364 0.265 12.120 -9.661 1.00 1.53 H new ATOM 0 HG1 THR A 364 0.797 9.965 -8.150 1.00 1.24 H new ATOM 0 HG21 THR A 364 -2.077 11.793 -8.936 1.00 1.76 H new ATOM 0 HG22 THR A 364 -1.870 11.441 -10.668 1.00 1.76 H new ATOM 0 HG23 THR A 364 -2.006 10.106 -9.499 1.00 1.76 H new ATOM 1501 N ALA A 365 2.492 11.587 -10.630 1.00 1.71 N ATOM 1502 CA ALA A 365 3.915 11.860 -10.796 1.00 1.80 C ATOM 1503 C ALA A 365 4.711 11.513 -9.540 1.00 1.56 C ATOM 1504 O ALA A 365 5.797 10.941 -9.620 1.00 1.77 O ATOM 1505 CB ALA A 365 4.126 13.320 -11.158 1.00 1.94 C ATOM 0 H ALA A 365 1.900 12.417 -10.606 1.00 1.71 H new ATOM 0 HA ALA A 365 4.280 11.227 -11.604 1.00 1.80 H new ATOM 0 HB1 ALA A 365 5.192 13.514 -11.280 1.00 1.94 H new ATOM 0 HB2 ALA A 365 3.608 13.542 -12.091 1.00 1.94 H new ATOM 0 HB3 ALA A 365 3.730 13.953 -10.363 1.00 1.94 H new ATOM 1511 N SER A 366 4.164 11.854 -8.385 1.00 1.27 N ATOM 1512 CA SER A 366 4.871 11.665 -7.130 1.00 1.26 C ATOM 1513 C SER A 366 4.104 10.766 -6.165 1.00 1.17 C ATOM 1514 O SER A 366 4.661 10.278 -5.180 1.00 1.40 O ATOM 1515 CB SER A 366 5.095 13.026 -6.490 1.00 1.31 C ATOM 1516 OG SER A 366 5.875 13.861 -7.332 1.00 1.69 O ATOM 0 H SER A 366 3.234 12.262 -8.291 1.00 1.27 H new ATOM 0 HA SER A 366 5.820 11.174 -7.344 1.00 1.26 H new ATOM 0 HB2 SER A 366 4.134 13.501 -6.290 1.00 1.31 H new ATOM 0 HB3 SER A 366 5.595 12.902 -5.530 1.00 1.31 H new ATOM 0 HG SER A 366 6.005 14.731 -6.900 1.00 1.69 H new ATOM 1522 N ARG A 367 2.829 10.555 -6.439 1.00 0.97 N ATOM 1523 CA ARG A 367 2.003 9.731 -5.570 1.00 0.91 C ATOM 1524 C ARG A 367 1.527 8.474 -6.277 1.00 0.83 C ATOM 1525 O ARG A 367 1.508 8.396 -7.505 1.00 0.94 O ATOM 1526 CB ARG A 367 0.796 10.524 -5.076 1.00 1.05 C ATOM 1527 CG ARG A 367 1.156 11.714 -4.213 1.00 1.34 C ATOM 1528 CD ARG A 367 -0.076 12.542 -3.890 1.00 2.29 C ATOM 1529 NE ARG A 367 0.148 13.480 -2.791 1.00 3.00 N ATOM 1530 CZ ARG A 367 -0.187 14.767 -2.828 1.00 3.86 C ATOM 1531 NH1 ARG A 367 -0.635 15.309 -3.953 1.00 4.18 N ATOM 1532 NH2 ARG A 367 -0.042 15.514 -1.744 1.00 4.70 N ATOM 0 H ARG A 367 2.344 10.939 -7.250 1.00 0.97 H new ATOM 0 HA ARG A 367 2.619 9.434 -4.721 1.00 0.91 H new ATOM 0 HB2 ARG A 367 0.225 10.871 -5.937 1.00 1.05 H new ATOM 0 HB3 ARG A 367 0.145 9.860 -4.508 1.00 1.05 H new ATOM 0 HG2 ARG A 367 1.621 11.371 -3.289 1.00 1.34 H new ATOM 0 HG3 ARG A 367 1.890 12.333 -4.728 1.00 1.34 H new ATOM 0 HD2 ARG A 367 -0.380 13.095 -4.778 1.00 2.29 H new ATOM 0 HD3 ARG A 367 -0.899 11.876 -3.632 1.00 2.29 H new ATOM 0 HE ARG A 367 0.589 13.125 -1.942 1.00 3.00 H new ATOM 0 HH11 ARG A 367 -0.724 14.739 -4.794 1.00 4.18 H new ATOM 0 HH12 ARG A 367 -0.891 16.296 -3.977 1.00 4.18 H new ATOM 0 HH21 ARG A 367 0.325 15.102 -0.886 1.00 4.70 H new ATOM 0 HH22 ARG A 367 -0.297 16.501 -1.767 1.00 4.70 H new ATOM 1546 N ILE A 368 1.149 7.489 -5.486 1.00 0.81 N ATOM 1547 CA ILE A 368 0.532 6.289 -6.006 1.00 0.84 C ATOM 1548 C ILE A 368 -0.887 6.177 -5.469 1.00 0.76 C ATOM 1549 O ILE A 368 -1.094 6.003 -4.268 1.00 0.80 O ATOM 1550 CB ILE A 368 1.321 5.024 -5.630 1.00 0.96 C ATOM 1551 CG1 ILE A 368 2.727 5.053 -6.246 1.00 1.12 C ATOM 1552 CG2 ILE A 368 0.552 3.787 -6.071 1.00 1.04 C ATOM 1553 CD1 ILE A 368 2.739 5.154 -7.758 1.00 1.92 C ATOM 0 H ILE A 368 1.261 7.499 -4.472 1.00 0.81 H new ATOM 0 HA ILE A 368 0.524 6.365 -7.093 1.00 0.84 H new ATOM 0 HB ILE A 368 1.440 4.991 -4.547 1.00 0.96 H new ATOM 0 HG12 ILE A 368 3.276 5.899 -5.832 1.00 1.12 H new ATOM 0 HG13 ILE A 368 3.261 4.150 -5.949 1.00 1.12 H new ATOM 0 HG21 ILE A 368 1.115 2.893 -5.802 1.00 1.04 H new ATOM 0 HG22 ILE A 368 -0.419 3.766 -5.576 1.00 1.04 H new ATOM 0 HG23 ILE A 368 0.408 3.814 -7.151 1.00 1.04 H new ATOM 0 HD11 ILE A 368 3.769 5.169 -8.113 1.00 1.92 H new ATOM 0 HD12 ILE A 368 2.220 4.295 -8.184 1.00 1.92 H new ATOM 0 HD13 ILE A 368 2.236 6.071 -8.065 1.00 1.92 H new ATOM 1565 N ASP A 369 -1.848 6.270 -6.361 1.00 0.78 N ATOM 1566 CA ASP A 369 -3.255 6.267 -5.990 1.00 0.73 C ATOM 1567 C ASP A 369 -3.839 4.875 -6.151 1.00 0.75 C ATOM 1568 O ASP A 369 -3.508 4.159 -7.088 1.00 0.87 O ATOM 1569 CB ASP A 369 -4.042 7.256 -6.854 1.00 0.87 C ATOM 1570 CG ASP A 369 -4.414 8.525 -6.117 1.00 1.23 C ATOM 1571 OD1 ASP A 369 -3.636 9.499 -6.178 1.00 1.66 O ATOM 1572 OD2 ASP A 369 -5.477 8.558 -5.460 1.00 1.58 O ATOM 0 H ASP A 369 -1.682 6.350 -7.364 1.00 0.78 H new ATOM 0 HA ASP A 369 -3.332 6.570 -4.946 1.00 0.73 H new ATOM 0 HB2 ASP A 369 -3.449 7.513 -7.732 1.00 0.87 H new ATOM 0 HB3 ASP A 369 -4.950 6.772 -7.213 1.00 0.87 H new ATOM 1577 N ILE A 370 -4.688 4.477 -5.230 1.00 0.66 N ATOM 1578 CA ILE A 370 -5.332 3.180 -5.312 1.00 0.70 C ATOM 1579 C ILE A 370 -6.826 3.335 -5.072 1.00 0.65 C ATOM 1580 O ILE A 370 -7.236 3.940 -4.083 1.00 0.60 O ATOM 1581 CB ILE A 370 -4.778 2.185 -4.266 1.00 0.74 C ATOM 1582 CG1 ILE A 370 -3.240 2.163 -4.267 1.00 0.83 C ATOM 1583 CG2 ILE A 370 -5.322 0.788 -4.536 1.00 0.84 C ATOM 1584 CD1 ILE A 370 -2.627 1.565 -5.518 1.00 1.38 C ATOM 0 H ILE A 370 -4.950 5.031 -4.415 1.00 0.66 H new ATOM 0 HA ILE A 370 -5.131 2.786 -6.308 1.00 0.70 H new ATOM 0 HB ILE A 370 -5.106 2.517 -3.281 1.00 0.74 H new ATOM 0 HG12 ILE A 370 -2.873 3.183 -4.148 1.00 0.83 H new ATOM 0 HG13 ILE A 370 -2.895 1.597 -3.401 1.00 0.83 H new ATOM 0 HG21 ILE A 370 -4.926 0.094 -3.794 1.00 0.84 H new ATOM 0 HG22 ILE A 370 -6.410 0.803 -4.475 1.00 0.84 H new ATOM 0 HG23 ILE A 370 -5.019 0.466 -5.532 1.00 0.84 H new ATOM 0 HD11 ILE A 370 -1.540 1.588 -5.437 1.00 1.38 H new ATOM 0 HD12 ILE A 370 -2.961 0.533 -5.629 1.00 1.38 H new ATOM 0 HD13 ILE A 370 -2.938 2.143 -6.388 1.00 1.38 H new ATOM 1596 N CYS A 371 -7.633 2.788 -5.962 1.00 0.74 N ATOM 1597 CA CYS A 371 -9.075 2.891 -5.822 1.00 0.75 C ATOM 1598 C CYS A 371 -9.650 1.577 -5.305 1.00 0.77 C ATOM 1599 O CYS A 371 -9.699 0.572 -6.025 1.00 0.92 O ATOM 1600 CB CYS A 371 -9.711 3.272 -7.157 1.00 0.92 C ATOM 1601 SG CYS A 371 -8.873 4.631 -8.006 1.00 1.75 S ATOM 0 H CYS A 371 -7.319 2.272 -6.784 1.00 0.74 H new ATOM 0 HA CYS A 371 -9.303 3.674 -5.099 1.00 0.75 H new ATOM 0 HB2 CYS A 371 -9.717 2.398 -7.808 1.00 0.92 H new ATOM 0 HB3 CYS A 371 -10.751 3.549 -6.987 1.00 0.92 H new ATOM 0 HG CYS A 371 -9.480 4.882 -9.128 1.00 1.75 H new ATOM 1607 N LEU A 372 -10.087 1.592 -4.055 1.00 0.69 N ATOM 1608 CA LEU A 372 -10.611 0.401 -3.407 1.00 0.77 C ATOM 1609 C LEU A 372 -12.132 0.433 -3.402 1.00 0.79 C ATOM 1610 O LEU A 372 -12.743 1.444 -3.052 1.00 0.78 O ATOM 1611 CB LEU A 372 -10.105 0.280 -1.959 1.00 0.80 C ATOM 1612 CG LEU A 372 -8.592 0.105 -1.769 1.00 1.20 C ATOM 1613 CD1 LEU A 372 -8.037 -0.931 -2.733 1.00 1.87 C ATOM 1614 CD2 LEU A 372 -7.862 1.434 -1.913 1.00 2.07 C ATOM 0 H LEU A 372 -10.088 2.424 -3.465 1.00 0.69 H new ATOM 0 HA LEU A 372 -10.259 -0.462 -3.972 1.00 0.77 H new ATOM 0 HB2 LEU A 372 -10.415 1.172 -1.415 1.00 0.80 H new ATOM 0 HB3 LEU A 372 -10.607 -0.568 -1.493 1.00 0.80 H new ATOM 0 HG LEU A 372 -8.424 -0.258 -0.755 1.00 1.20 H new ATOM 0 HD11 LEU A 372 -6.963 -1.035 -2.577 1.00 1.87 H new ATOM 0 HD12 LEU A 372 -8.524 -1.890 -2.556 1.00 1.87 H new ATOM 0 HD13 LEU A 372 -8.225 -0.612 -3.758 1.00 1.87 H new ATOM 0 HD21 LEU A 372 -6.792 1.279 -1.773 1.00 2.07 H new ATOM 0 HD22 LEU A 372 -8.043 1.842 -2.907 1.00 2.07 H new ATOM 0 HD23 LEU A 372 -8.228 2.134 -1.161 1.00 2.07 H new ATOM 1626 N ARG A 373 -12.740 -0.664 -3.815 1.00 0.99 N ATOM 1627 CA ARG A 373 -14.188 -0.779 -3.765 1.00 1.11 C ATOM 1628 C ARG A 373 -14.601 -1.956 -2.893 1.00 1.06 C ATOM 1629 O ARG A 373 -14.204 -3.100 -3.138 1.00 1.26 O ATOM 1630 CB ARG A 373 -14.809 -0.906 -5.166 1.00 1.68 C ATOM 1631 CG ARG A 373 -14.238 -2.024 -6.029 1.00 2.22 C ATOM 1632 CD ARG A 373 -12.940 -1.597 -6.696 1.00 2.59 C ATOM 1633 NE ARG A 373 -13.074 -1.425 -8.144 1.00 3.77 N ATOM 1634 CZ ARG A 373 -13.717 -0.422 -8.747 1.00 4.77 C ATOM 1635 NH1 ARG A 373 -14.355 0.499 -8.035 1.00 4.88 N ATOM 1636 NH2 ARG A 373 -13.711 -0.338 -10.070 1.00 5.90 N ATOM 0 H ARG A 373 -12.259 -1.483 -4.186 1.00 0.99 H new ATOM 0 HA ARG A 373 -14.569 0.142 -3.323 1.00 1.11 H new ATOM 0 HB2 ARG A 373 -15.882 -1.064 -5.057 1.00 1.68 H new ATOM 0 HB3 ARG A 373 -14.678 0.040 -5.691 1.00 1.68 H new ATOM 0 HG2 ARG A 373 -14.061 -2.907 -5.414 1.00 2.22 H new ATOM 0 HG3 ARG A 373 -14.965 -2.307 -6.790 1.00 2.22 H new ATOM 0 HD2 ARG A 373 -12.601 -0.660 -6.254 1.00 2.59 H new ATOM 0 HD3 ARG A 373 -12.171 -2.342 -6.493 1.00 2.59 H new ATOM 0 HE ARG A 373 -12.641 -2.129 -8.741 1.00 3.77 H new ATOM 0 HH11 ARG A 373 -14.357 0.445 -7.016 1.00 4.88 H new ATOM 0 HH12 ARG A 373 -14.843 1.261 -8.506 1.00 4.88 H new ATOM 0 HH21 ARG A 373 -13.217 -1.038 -10.623 1.00 5.90 H new ATOM 0 HH22 ARG A 373 -14.201 0.426 -10.535 1.00 5.90 H new ATOM 1650 N LYS A 374 -15.365 -1.651 -1.858 1.00 1.08 N ATOM 1651 CA LYS A 374 -15.941 -2.670 -0.999 1.00 1.35 C ATOM 1652 C LYS A 374 -17.034 -3.416 -1.766 1.00 1.76 C ATOM 1653 O LYS A 374 -17.535 -2.937 -2.787 1.00 2.36 O ATOM 1654 CB LYS A 374 -16.498 -2.008 0.272 1.00 2.07 C ATOM 1655 CG LYS A 374 -17.291 -2.941 1.178 1.00 2.64 C ATOM 1656 CD LYS A 374 -17.853 -2.217 2.389 1.00 3.16 C ATOM 1657 CE LYS A 374 -18.865 -3.079 3.117 1.00 3.82 C ATOM 1658 NZ LYS A 374 -19.416 -2.403 4.319 1.00 4.43 N ATOM 0 H LYS A 374 -15.602 -0.696 -1.591 1.00 1.08 H new ATOM 0 HA LYS A 374 -15.180 -3.391 -0.701 1.00 1.35 H new ATOM 0 HB2 LYS A 374 -15.668 -1.589 0.841 1.00 2.07 H new ATOM 0 HB3 LYS A 374 -17.138 -1.175 -0.019 1.00 2.07 H new ATOM 0 HG2 LYS A 374 -18.108 -3.388 0.612 1.00 2.64 H new ATOM 0 HG3 LYS A 374 -16.649 -3.757 1.509 1.00 2.64 H new ATOM 0 HD2 LYS A 374 -17.042 -1.951 3.067 1.00 3.16 H new ATOM 0 HD3 LYS A 374 -18.323 -1.285 2.074 1.00 3.16 H new ATOM 0 HE2 LYS A 374 -19.680 -3.331 2.438 1.00 3.82 H new ATOM 0 HE3 LYS A 374 -18.395 -4.017 3.413 1.00 3.82 H new ATOM 0 HZ1 LYS A 374 -20.103 -3.029 4.785 1.00 4.43 H new ATOM 0 HZ2 LYS A 374 -18.643 -2.185 4.980 1.00 4.43 H new ATOM 0 HZ3 LYS A 374 -19.888 -1.521 4.035 1.00 4.43 H new