USER MOD reduce.3.24.130724 H: found=0, std=0, add=331, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 334 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 Single : A 311 MET CE :methyl 156:sc= -0.223 (180deg=-0.885) USER MOD Single : A 312 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 317 SER OG : rot 180:sc= 0 USER MOD Single : A 319 ASN :FLIP amide:sc=-0.00458 F(o=-0.89,f=-0.0046) USER MOD Single : A 322 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 323 MET CE :methyl -137:sc= -0.298 (180deg=-1.14) USER MOD Single : A 327 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 331 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 332 SER OG : rot 180:sc=0.000294 USER MOD Single : A 333 SER OG : rot 180:sc= 0.00883 USER MOD Single : A 336 MET CE :methyl 159:sc= -0.163 (180deg=-0.676) USER MOD Single : A 337 MET CE :methyl 161:sc= -0.168 (180deg=-0.777) USER MOD Single : A 339 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 342 SER OG : rot 74:sc= 1.19 USER MOD Single : A 343 GLN : amide:sc=-0.00102 K(o=-0.001,f=-2.4!) USER MOD Single : A 344 GLN : amide:sc= -0.234 X(o=-0.23,f=-0.47) USER MOD Single : A 345 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 346 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.077) USER MOD Single : A 347 SER OG : rot 180:sc= 0 USER MOD Single : A 350 SER OG : rot 180:sc= 0.0182 USER MOD Single : A 352 ASN : amide:sc= 0.0149 K(o=0.015,f=-4.8!) USER MOD Single : A 353 ASN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD Single : A 354 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 355 ASN : amide:sc=-0.00608 K(o=-0.0061,f=-0.97) USER MOD Single : A 356 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 358 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 359 MET CE :methyl -157:sc= -0.158 (180deg=-0.726) USER MOD Single : A 360 GLN :FLIP amide:sc= -1.64! C(o=-6.4!,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 311 25.766 12.252 17.432 1.00 17.40 N ATOM 2 CA MET A 311 24.615 11.663 16.709 1.00 17.36 C ATOM 3 C MET A 311 25.061 11.131 15.355 1.00 16.99 C ATOM 4 O MET A 311 24.778 11.730 14.314 1.00 17.05 O ATOM 5 CB MET A 311 23.492 12.692 16.513 1.00 17.89 C ATOM 6 CG MET A 311 22.857 13.178 17.807 1.00 18.43 C ATOM 7 SD MET A 311 23.939 14.269 18.753 1.00 18.82 S ATOM 8 CE MET A 311 24.116 15.647 17.620 1.00 19.56 C ATOM 0 HA MET A 311 24.228 10.843 17.314 1.00 17.36 H new ATOM 0 HB2 MET A 311 23.892 13.550 15.973 1.00 17.89 H new ATOM 0 HB3 MET A 311 22.718 12.252 15.884 1.00 17.89 H new ATOM 0 HG2 MET A 311 21.931 13.704 17.576 1.00 18.43 H new ATOM 0 HG3 MET A 311 22.590 12.318 18.421 1.00 18.43 H new ATOM 0 HE1 MET A 311 24.373 16.547 18.179 1.00 19.56 H new ATOM 0 HE2 MET A 311 24.906 15.428 16.901 1.00 19.56 H new ATOM 0 HE3 MET A 311 23.177 15.805 17.090 1.00 19.56 H new ATOM 20 N ASN A 312 25.760 10.008 15.376 1.00 16.75 N ATOM 21 CA ASN A 312 26.256 9.384 14.157 1.00 16.58 C ATOM 22 C ASN A 312 26.565 7.917 14.406 1.00 16.05 C ATOM 23 O ASN A 312 27.420 7.584 15.229 1.00 15.92 O ATOM 24 CB ASN A 312 27.510 10.103 13.643 1.00 16.82 C ATOM 25 CG ASN A 312 28.154 9.393 12.463 1.00 16.95 C ATOM 26 OD1 ASN A 312 29.056 8.570 12.631 1.00 17.07 O ATOM 27 ND2 ASN A 312 27.703 9.707 11.260 1.00 17.09 N ATOM 0 H ASN A 312 25.999 9.505 16.231 1.00 16.75 H new ATOM 0 HA ASN A 312 25.479 9.462 13.396 1.00 16.58 H new ATOM 0 HB2 ASN A 312 27.246 11.119 13.350 1.00 16.82 H new ATOM 0 HB3 ASN A 312 28.235 10.183 14.453 1.00 16.82 H new ATOM 0 HD21 ASN A 312 28.103 9.263 10.433 1.00 17.09 H new ATOM 0 HD22 ASN A 312 26.955 10.393 11.159 1.00 17.09 H new ATOM 34 N PHE A 313 25.860 7.045 13.708 1.00 15.90 N ATOM 35 CA PHE A 313 26.076 5.615 13.834 1.00 15.59 C ATOM 36 C PHE A 313 26.845 5.098 12.624 1.00 14.78 C ATOM 37 O PHE A 313 27.671 4.190 12.739 1.00 14.72 O ATOM 38 CB PHE A 313 24.739 4.879 13.971 1.00 16.04 C ATOM 39 CG PHE A 313 24.882 3.396 14.162 1.00 16.54 C ATOM 40 CD1 PHE A 313 25.338 2.880 15.365 1.00 17.11 C ATOM 41 CD2 PHE A 313 24.564 2.517 13.139 1.00 16.60 C ATOM 42 CE1 PHE A 313 25.475 1.517 15.544 1.00 17.71 C ATOM 43 CE2 PHE A 313 24.700 1.153 13.311 1.00 17.21 C ATOM 44 CZ PHE A 313 25.156 0.650 14.516 1.00 17.76 C ATOM 0 H PHE A 313 25.129 7.304 13.045 1.00 15.90 H new ATOM 0 HA PHE A 313 26.663 5.427 14.733 1.00 15.59 H new ATOM 0 HB2 PHE A 313 24.191 5.294 14.817 1.00 16.04 H new ATOM 0 HB3 PHE A 313 24.139 5.065 13.080 1.00 16.04 H new ATOM 0 HD1 PHE A 313 25.589 3.552 16.172 1.00 17.11 H new ATOM 0 HD2 PHE A 313 24.206 2.903 12.196 1.00 16.60 H new ATOM 0 HE1 PHE A 313 25.831 1.129 16.487 1.00 17.71 H new ATOM 0 HE2 PHE A 313 24.450 0.479 12.505 1.00 17.21 H new ATOM 0 HZ PHE A 313 25.262 -0.416 14.653 1.00 17.76 H new ATOM 54 N GLY A 314 26.575 5.684 11.466 1.00 14.30 N ATOM 55 CA GLY A 314 27.252 5.275 10.256 1.00 13.66 C ATOM 56 C GLY A 314 26.591 5.823 9.011 1.00 13.23 C ATOM 57 O GLY A 314 26.072 6.942 9.018 1.00 13.59 O ATOM 0 H GLY A 314 25.897 6.437 11.345 1.00 14.30 H new ATOM 0 HA2 GLY A 314 28.288 5.611 10.292 1.00 13.66 H new ATOM 0 HA3 GLY A 314 27.272 4.186 10.204 1.00 13.66 H new ATOM 61 N ALA A 315 26.595 5.033 7.949 1.00 12.65 N ATOM 62 CA ALA A 315 26.037 5.463 6.676 1.00 12.37 C ATOM 63 C ALA A 315 24.544 5.154 6.596 1.00 11.49 C ATOM 64 O ALA A 315 24.143 3.997 6.452 1.00 11.05 O ATOM 65 CB ALA A 315 26.777 4.794 5.528 1.00 12.55 C ATOM 0 H ALA A 315 26.979 4.088 7.943 1.00 12.65 H new ATOM 0 HA ALA A 315 26.161 6.543 6.598 1.00 12.37 H new ATOM 0 HB1 ALA A 315 26.351 5.123 4.580 1.00 12.55 H new ATOM 0 HB2 ALA A 315 27.831 5.067 5.566 1.00 12.55 H new ATOM 0 HB3 ALA A 315 26.679 3.712 5.614 1.00 12.55 H new ATOM 71 N PHE A 316 23.727 6.192 6.697 1.00 11.43 N ATOM 72 CA PHE A 316 22.280 6.040 6.623 1.00 10.85 C ATOM 73 C PHE A 316 21.746 6.653 5.330 1.00 10.07 C ATOM 74 O PHE A 316 20.810 6.132 4.723 1.00 9.85 O ATOM 75 CB PHE A 316 21.620 6.696 7.842 1.00 11.20 C ATOM 76 CG PHE A 316 20.125 6.540 7.888 1.00 11.56 C ATOM 77 CD1 PHE A 316 19.552 5.342 8.284 1.00 11.89 C ATOM 78 CD2 PHE A 316 19.296 7.590 7.529 1.00 11.80 C ATOM 79 CE1 PHE A 316 18.177 5.196 8.325 1.00 12.42 C ATOM 80 CE2 PHE A 316 17.922 7.450 7.566 1.00 12.36 C ATOM 81 CZ PHE A 316 17.362 6.251 7.964 1.00 12.67 C ATOM 0 H PHE A 316 24.042 7.153 6.831 1.00 11.43 H new ATOM 0 HA PHE A 316 22.037 4.977 6.624 1.00 10.85 H new ATOM 0 HB2 PHE A 316 22.048 6.267 8.748 1.00 11.20 H new ATOM 0 HB3 PHE A 316 21.864 7.758 7.846 1.00 11.20 H new ATOM 0 HD1 PHE A 316 20.186 4.513 8.564 1.00 11.89 H new ATOM 0 HD2 PHE A 316 19.729 8.529 7.217 1.00 11.80 H new ATOM 0 HE1 PHE A 316 17.742 4.259 8.639 1.00 12.42 H new ATOM 0 HE2 PHE A 316 17.286 8.277 7.284 1.00 12.36 H new ATOM 0 HZ PHE A 316 16.288 6.139 7.993 1.00 12.67 H new ATOM 91 N SER A 317 22.362 7.749 4.902 1.00 9.87 N ATOM 92 CA SER A 317 21.942 8.434 3.689 1.00 9.34 C ATOM 93 C SER A 317 22.491 7.730 2.453 1.00 8.25 C ATOM 94 O SER A 317 23.381 8.242 1.770 1.00 8.10 O ATOM 95 CB SER A 317 22.394 9.899 3.716 1.00 9.90 C ATOM 96 OG SER A 317 21.924 10.603 2.574 1.00 10.38 O ATOM 0 H SER A 317 23.154 8.181 5.378 1.00 9.87 H new ATOM 0 HA SER A 317 20.853 8.408 3.642 1.00 9.34 H new ATOM 0 HB2 SER A 317 22.023 10.380 4.621 1.00 9.90 H new ATOM 0 HB3 SER A 317 23.482 9.946 3.753 1.00 9.90 H new ATOM 0 HG SER A 317 22.225 11.535 2.617 1.00 10.38 H new ATOM 102 N ILE A 318 21.967 6.546 2.190 1.00 7.73 N ATOM 103 CA ILE A 318 22.341 5.779 1.016 1.00 6.82 C ATOM 104 C ILE A 318 21.106 5.132 0.408 1.00 6.18 C ATOM 105 O ILE A 318 20.131 4.867 1.110 1.00 6.36 O ATOM 106 CB ILE A 318 23.374 4.675 1.345 1.00 6.89 C ATOM 107 CG1 ILE A 318 22.878 3.792 2.497 1.00 7.43 C ATOM 108 CG2 ILE A 318 24.731 5.283 1.670 1.00 7.27 C ATOM 109 CD1 ILE A 318 23.789 2.622 2.800 1.00 7.71 C ATOM 0 H ILE A 318 21.273 6.091 2.782 1.00 7.73 H new ATOM 0 HA ILE A 318 22.798 6.472 0.310 1.00 6.82 H new ATOM 0 HB ILE A 318 23.491 4.045 0.463 1.00 6.89 H new ATOM 0 HG12 ILE A 318 22.775 4.403 3.394 1.00 7.43 H new ATOM 0 HG13 ILE A 318 21.885 3.415 2.253 1.00 7.43 H new ATOM 0 HG21 ILE A 318 25.441 4.488 1.898 1.00 7.27 H new ATOM 0 HG22 ILE A 318 25.089 5.854 0.813 1.00 7.27 H new ATOM 0 HG23 ILE A 318 24.637 5.943 2.532 1.00 7.27 H new ATOM 0 HD11 ILE A 318 23.375 2.043 3.625 1.00 7.71 H new ATOM 0 HD12 ILE A 318 23.873 1.988 1.917 1.00 7.71 H new ATOM 0 HD13 ILE A 318 24.777 2.992 3.076 1.00 7.71 H new ATOM 121 N ASN A 319 21.138 4.908 -0.894 1.00 5.79 N ATOM 122 CA ASN A 319 20.061 4.198 -1.572 1.00 5.44 C ATOM 123 C ASN A 319 20.439 2.728 -1.707 1.00 4.60 C ATOM 124 O ASN A 319 21.234 2.360 -2.576 1.00 4.37 O ATOM 125 CB ASN A 319 19.793 4.804 -2.955 1.00 6.14 C ATOM 126 CG ASN A 319 19.286 6.236 -2.896 1.00 6.86 C ATOM 127 OD1 ASN A 319 18.472 6.547 -1.897 1.00 7.02 O flip ATOM 128 ND2 ASN A 319 19.612 7.055 -3.758 1.00 7.58 N flip ATOM 0 H ASN A 319 21.898 5.207 -1.506 1.00 5.79 H new ATOM 0 HA ASN A 319 19.149 4.290 -0.982 1.00 5.44 H new ATOM 0 HB2 ASN A 319 20.712 4.775 -3.541 1.00 6.14 H new ATOM 0 HB3 ASN A 319 19.062 4.188 -3.478 1.00 6.14 H new ATOM 0 HD21 ASN A 319 20.241 6.779 -4.512 1.00 7.58 H new ATOM 0 HD22 ASN A 319 19.253 8.009 -3.717 1.00 7.58 H new ATOM 135 N PRO A 320 19.896 1.871 -0.832 1.00 4.45 N ATOM 136 CA PRO A 320 20.250 0.463 -0.771 1.00 4.02 C ATOM 137 C PRO A 320 19.397 -0.402 -1.692 1.00 3.55 C ATOM 138 O PRO A 320 18.165 -0.405 -1.606 1.00 3.28 O ATOM 139 CB PRO A 320 19.994 0.102 0.700 1.00 4.60 C ATOM 140 CG PRO A 320 19.214 1.245 1.292 1.00 5.20 C ATOM 141 CD PRO A 320 18.887 2.196 0.173 1.00 5.13 C ATOM 0 HA PRO A 320 21.274 0.287 -1.100 1.00 4.02 H new ATOM 0 HB2 PRO A 320 19.435 -0.831 0.779 1.00 4.60 H new ATOM 0 HB3 PRO A 320 20.934 -0.043 1.233 1.00 4.60 H new ATOM 0 HG2 PRO A 320 18.302 0.882 1.766 1.00 5.20 H new ATOM 0 HG3 PRO A 320 19.796 1.747 2.064 1.00 5.20 H new ATOM 0 HD2 PRO A 320 17.876 2.044 -0.205 1.00 5.13 H new ATOM 0 HD3 PRO A 320 18.955 3.236 0.493 1.00 5.13 H new ATOM 149 N ALA A 321 20.064 -1.152 -2.562 1.00 3.54 N ATOM 150 CA ALA A 321 19.389 -2.036 -3.506 1.00 3.23 C ATOM 151 C ALA A 321 18.636 -3.141 -2.776 1.00 2.87 C ATOM 152 O ALA A 321 17.645 -3.670 -3.280 1.00 2.56 O ATOM 153 CB ALA A 321 20.389 -2.638 -4.480 1.00 3.49 C ATOM 0 H ALA A 321 21.081 -1.165 -2.633 1.00 3.54 H new ATOM 0 HA ALA A 321 18.667 -1.442 -4.066 1.00 3.23 H new ATOM 0 HB1 ALA A 321 19.868 -3.295 -5.177 1.00 3.49 H new ATOM 0 HB2 ALA A 321 20.883 -1.840 -5.034 1.00 3.49 H new ATOM 0 HB3 ALA A 321 21.134 -3.212 -3.929 1.00 3.49 H new ATOM 159 N MET A 322 19.116 -3.482 -1.586 1.00 3.00 N ATOM 160 CA MET A 322 18.460 -4.484 -0.754 1.00 2.79 C ATOM 161 C MET A 322 17.031 -4.062 -0.413 1.00 2.47 C ATOM 162 O MET A 322 16.109 -4.869 -0.468 1.00 2.15 O ATOM 163 CB MET A 322 19.257 -4.708 0.529 1.00 3.15 C ATOM 164 CG MET A 322 18.613 -5.697 1.485 1.00 3.58 C ATOM 165 SD MET A 322 19.570 -5.914 2.998 1.00 4.04 S ATOM 166 CE MET A 322 18.516 -7.038 3.911 1.00 5.05 C ATOM 0 H MET A 322 19.958 -3.079 -1.175 1.00 3.00 H new ATOM 0 HA MET A 322 18.418 -5.416 -1.317 1.00 2.79 H new ATOM 0 HB2 MET A 322 20.254 -5.064 0.269 1.00 3.15 H new ATOM 0 HB3 MET A 322 19.383 -3.753 1.039 1.00 3.15 H new ATOM 0 HG2 MET A 322 17.610 -5.353 1.739 1.00 3.58 H new ATOM 0 HG3 MET A 322 18.503 -6.660 0.987 1.00 3.58 H new ATOM 0 HE1 MET A 322 18.975 -7.267 4.873 1.00 5.05 H new ATOM 0 HE2 MET A 322 17.544 -6.573 4.074 1.00 5.05 H new ATOM 0 HE3 MET A 322 18.387 -7.959 3.342 1.00 5.05 H new ATOM 176 N MET A 323 16.860 -2.788 -0.072 1.00 2.62 N ATOM 177 CA MET A 323 15.546 -2.246 0.269 1.00 2.46 C ATOM 178 C MET A 323 14.618 -2.308 -0.943 1.00 2.10 C ATOM 179 O MET A 323 13.435 -2.621 -0.820 1.00 1.85 O ATOM 180 CB MET A 323 15.696 -0.799 0.767 1.00 2.84 C ATOM 181 CG MET A 323 14.417 -0.171 1.315 1.00 3.05 C ATOM 182 SD MET A 323 13.281 0.398 0.027 1.00 3.43 S ATOM 183 CE MET A 323 14.305 1.593 -0.829 1.00 3.62 C ATOM 0 H MET A 323 17.618 -2.108 -0.024 1.00 2.62 H new ATOM 0 HA MET A 323 15.105 -2.846 1.065 1.00 2.46 H new ATOM 0 HB2 MET A 323 16.458 -0.776 1.547 1.00 2.84 H new ATOM 0 HB3 MET A 323 16.062 -0.184 -0.055 1.00 2.84 H new ATOM 0 HG2 MET A 323 13.905 -0.899 1.944 1.00 3.05 H new ATOM 0 HG3 MET A 323 14.681 0.672 1.954 1.00 3.05 H new ATOM 0 HE1 MET A 323 13.717 2.484 -1.051 1.00 3.62 H new ATOM 0 HE2 MET A 323 15.152 1.865 -0.198 1.00 3.62 H new ATOM 0 HE3 MET A 323 14.670 1.159 -1.760 1.00 3.62 H new ATOM 193 N ALA A 324 15.181 -2.044 -2.114 1.00 2.17 N ATOM 194 CA ALA A 324 14.419 -2.049 -3.360 1.00 1.99 C ATOM 195 C ALA A 324 13.963 -3.462 -3.706 1.00 1.65 C ATOM 196 O ALA A 324 12.818 -3.679 -4.102 1.00 1.44 O ATOM 197 CB ALA A 324 15.254 -1.464 -4.489 1.00 2.32 C ATOM 0 H ALA A 324 16.170 -1.822 -2.230 1.00 2.17 H new ATOM 0 HA ALA A 324 13.532 -1.430 -3.227 1.00 1.99 H new ATOM 0 HB1 ALA A 324 14.675 -1.473 -5.412 1.00 2.32 H new ATOM 0 HB2 ALA A 324 15.530 -0.438 -4.244 1.00 2.32 H new ATOM 0 HB3 ALA A 324 16.157 -2.061 -4.621 1.00 2.32 H new ATOM 203 N ALA A 325 14.865 -4.423 -3.542 1.00 1.69 N ATOM 204 CA ALA A 325 14.540 -5.824 -3.773 1.00 1.53 C ATOM 205 C ALA A 325 13.543 -6.321 -2.729 1.00 1.28 C ATOM 206 O ALA A 325 12.672 -7.141 -3.024 1.00 1.15 O ATOM 207 CB ALA A 325 15.803 -6.674 -3.757 1.00 1.81 C ATOM 0 H ALA A 325 15.828 -4.256 -3.250 1.00 1.69 H new ATOM 0 HA ALA A 325 14.079 -5.914 -4.757 1.00 1.53 H new ATOM 0 HB1 ALA A 325 15.541 -7.718 -3.931 1.00 1.81 H new ATOM 0 HB2 ALA A 325 16.480 -6.334 -4.540 1.00 1.81 H new ATOM 0 HB3 ALA A 325 16.293 -6.580 -2.788 1.00 1.81 H new ATOM 213 N ALA A 326 13.668 -5.794 -1.517 1.00 1.36 N ATOM 214 CA ALA A 326 12.786 -6.141 -0.425 1.00 1.30 C ATOM 215 C ALA A 326 11.393 -5.607 -0.688 1.00 1.05 C ATOM 216 O ALA A 326 10.414 -6.253 -0.371 1.00 0.93 O ATOM 217 CB ALA A 326 13.337 -5.577 0.874 1.00 1.68 C ATOM 0 H ALA A 326 14.387 -5.114 -1.270 1.00 1.36 H new ATOM 0 HA ALA A 326 12.726 -7.226 -0.342 1.00 1.30 H new ATOM 0 HB1 ALA A 326 12.671 -5.839 1.696 1.00 1.68 H new ATOM 0 HB2 ALA A 326 14.326 -5.994 1.061 1.00 1.68 H new ATOM 0 HB3 ALA A 326 13.409 -4.492 0.798 1.00 1.68 H new ATOM 223 N GLN A 327 11.323 -4.435 -1.295 1.00 1.11 N ATOM 224 CA GLN A 327 10.053 -3.773 -1.581 1.00 1.11 C ATOM 225 C GLN A 327 9.123 -4.671 -2.386 1.00 0.86 C ATOM 226 O GLN A 327 7.950 -4.850 -2.043 1.00 0.84 O ATOM 227 CB GLN A 327 10.321 -2.555 -2.426 1.00 1.38 C ATOM 228 CG GLN A 327 9.228 -1.499 -2.377 1.00 1.63 C ATOM 229 CD GLN A 327 9.523 -0.326 -3.290 1.00 1.81 C ATOM 230 OE1 GLN A 327 10.142 -0.486 -4.343 1.00 2.56 O ATOM 231 NE2 GLN A 327 9.096 0.862 -2.889 1.00 1.90 N ATOM 0 H GLN A 327 12.142 -3.912 -1.605 1.00 1.11 H new ATOM 0 HA GLN A 327 9.587 -3.523 -0.628 1.00 1.11 H new ATOM 0 HB2 GLN A 327 11.259 -2.104 -2.103 1.00 1.38 H new ATOM 0 HB3 GLN A 327 10.458 -2.869 -3.461 1.00 1.38 H new ATOM 0 HG2 GLN A 327 8.277 -1.949 -2.663 1.00 1.63 H new ATOM 0 HG3 GLN A 327 9.117 -1.141 -1.353 1.00 1.63 H new ATOM 0 HE21 GLN A 327 8.587 0.951 -2.010 1.00 1.90 H new ATOM 0 HE22 GLN A 327 9.276 1.688 -3.460 1.00 1.90 H new ATOM 240 N ALA A 328 9.660 -5.221 -3.467 1.00 0.82 N ATOM 241 CA ALA A 328 8.900 -6.098 -4.340 1.00 0.84 C ATOM 242 C ALA A 328 8.525 -7.356 -3.615 1.00 0.70 C ATOM 243 O ALA A 328 7.446 -7.914 -3.800 1.00 0.80 O ATOM 244 CB ALA A 328 9.714 -6.488 -5.552 1.00 0.98 C ATOM 0 H ALA A 328 10.626 -5.072 -3.759 1.00 0.82 H new ATOM 0 HA ALA A 328 8.007 -5.556 -4.651 1.00 0.84 H new ATOM 0 HB1 ALA A 328 9.124 -7.145 -6.191 1.00 0.98 H new ATOM 0 HB2 ALA A 328 9.990 -5.592 -6.109 1.00 0.98 H new ATOM 0 HB3 ALA A 328 10.617 -7.008 -5.232 1.00 0.98 H new ATOM 250 N ALA A 329 9.441 -7.796 -2.785 1.00 0.61 N ATOM 251 CA ALA A 329 9.328 -9.085 -2.177 1.00 0.69 C ATOM 252 C ALA A 329 8.389 -9.024 -0.981 1.00 0.55 C ATOM 253 O ALA A 329 7.649 -9.959 -0.684 1.00 0.63 O ATOM 254 CB ALA A 329 10.691 -9.623 -1.772 1.00 0.92 C ATOM 0 H ALA A 329 10.274 -7.271 -2.519 1.00 0.61 H new ATOM 0 HA ALA A 329 8.908 -9.773 -2.911 1.00 0.69 H new ATOM 0 HB1 ALA A 329 10.573 -10.604 -1.313 1.00 0.92 H new ATOM 0 HB2 ALA A 329 11.325 -9.709 -2.654 1.00 0.92 H new ATOM 0 HB3 ALA A 329 11.154 -8.941 -1.058 1.00 0.92 H new ATOM 260 N LEU A 330 8.440 -7.884 -0.315 1.00 0.46 N ATOM 261 CA LEU A 330 7.651 -7.588 0.871 1.00 0.45 C ATOM 262 C LEU A 330 6.172 -7.445 0.517 1.00 0.41 C ATOM 263 O LEU A 330 5.338 -7.246 1.398 1.00 0.46 O ATOM 264 CB LEU A 330 8.179 -6.301 1.523 1.00 0.59 C ATOM 265 CG LEU A 330 7.923 -6.173 3.027 1.00 0.93 C ATOM 266 CD1 LEU A 330 8.595 -7.310 3.782 1.00 1.52 C ATOM 267 CD2 LEU A 330 8.414 -4.827 3.540 1.00 1.59 C ATOM 0 H LEU A 330 9.050 -7.114 -0.592 1.00 0.46 H new ATOM 0 HA LEU A 330 7.744 -8.413 1.577 1.00 0.45 H new ATOM 0 HB2 LEU A 330 9.253 -6.240 1.348 1.00 0.59 H new ATOM 0 HB3 LEU A 330 7.725 -5.447 1.021 1.00 0.59 H new ATOM 0 HG LEU A 330 6.848 -6.235 3.199 1.00 0.93 H new ATOM 0 HD11 LEU A 330 8.402 -7.202 4.849 1.00 1.52 H new ATOM 0 HD12 LEU A 330 8.195 -8.263 3.435 1.00 1.52 H new ATOM 0 HD13 LEU A 330 9.670 -7.281 3.603 1.00 1.52 H new ATOM 0 HD21 LEU A 330 8.224 -4.754 4.611 1.00 1.59 H new ATOM 0 HD22 LEU A 330 9.484 -4.735 3.355 1.00 1.59 H new ATOM 0 HD23 LEU A 330 7.886 -4.026 3.022 1.00 1.59 H new ATOM 279 N GLN A 331 5.875 -7.514 -0.784 1.00 0.46 N ATOM 280 CA GLN A 331 4.526 -7.314 -1.324 1.00 0.59 C ATOM 281 C GLN A 331 3.427 -8.012 -0.503 1.00 0.59 C ATOM 282 O GLN A 331 2.291 -7.542 -0.458 1.00 0.70 O ATOM 283 CB GLN A 331 4.462 -7.823 -2.766 1.00 0.77 C ATOM 284 CG GLN A 331 3.082 -7.708 -3.398 1.00 1.46 C ATOM 285 CD GLN A 331 3.003 -8.387 -4.746 1.00 1.83 C ATOM 286 OE1 GLN A 331 3.989 -8.460 -5.478 1.00 2.27 O ATOM 287 NE2 GLN A 331 1.829 -8.889 -5.086 1.00 2.41 N ATOM 0 H GLN A 331 6.573 -7.713 -1.501 1.00 0.46 H new ATOM 0 HA GLN A 331 4.336 -6.242 -1.277 1.00 0.59 H new ATOM 0 HB2 GLN A 331 5.176 -7.264 -3.371 1.00 0.77 H new ATOM 0 HB3 GLN A 331 4.775 -8.867 -2.787 1.00 0.77 H new ATOM 0 HG2 GLN A 331 2.342 -8.148 -2.729 1.00 1.46 H new ATOM 0 HG3 GLN A 331 2.824 -6.655 -3.510 1.00 1.46 H new ATOM 0 HE21 GLN A 331 1.036 -8.807 -4.450 1.00 2.41 H new ATOM 0 HE22 GLN A 331 1.716 -9.358 -5.985 1.00 2.41 H new ATOM 296 N SER A 332 3.760 -9.123 0.139 1.00 0.53 N ATOM 297 CA SER A 332 2.796 -9.852 0.954 1.00 0.59 C ATOM 298 C SER A 332 2.270 -8.981 2.103 1.00 0.58 C ATOM 299 O SER A 332 1.064 -8.890 2.330 1.00 0.67 O ATOM 300 CB SER A 332 3.439 -11.130 1.493 1.00 0.63 C ATOM 301 OG SER A 332 4.691 -10.856 2.101 1.00 1.46 O ATOM 0 H SER A 332 4.690 -9.540 0.112 1.00 0.53 H new ATOM 0 HA SER A 332 1.944 -10.119 0.329 1.00 0.59 H new ATOM 0 HB2 SER A 332 2.773 -11.597 2.219 1.00 0.63 H new ATOM 0 HB3 SER A 332 3.575 -11.843 0.680 1.00 0.63 H new ATOM 0 HG SER A 332 5.080 -11.690 2.439 1.00 1.46 H new ATOM 307 N SER A 333 3.183 -8.333 2.810 1.00 0.54 N ATOM 308 CA SER A 333 2.836 -7.499 3.952 1.00 0.62 C ATOM 309 C SER A 333 2.716 -6.027 3.553 1.00 0.65 C ATOM 310 O SER A 333 1.759 -5.347 3.927 1.00 0.70 O ATOM 311 CB SER A 333 3.881 -7.676 5.053 1.00 0.74 C ATOM 312 OG SER A 333 5.191 -7.616 4.516 1.00 1.39 O ATOM 0 H SER A 333 4.182 -8.370 2.610 1.00 0.54 H new ATOM 0 HA SER A 333 1.862 -7.815 4.327 1.00 0.62 H new ATOM 0 HB2 SER A 333 3.756 -6.899 5.808 1.00 0.74 H new ATOM 0 HB3 SER A 333 3.731 -8.633 5.553 1.00 0.74 H new ATOM 0 HG SER A 333 5.845 -7.730 5.237 1.00 1.39 H new ATOM 318 N TRP A 334 3.678 -5.548 2.774 1.00 0.67 N ATOM 319 CA TRP A 334 3.759 -4.133 2.419 1.00 0.77 C ATOM 320 C TRP A 334 2.889 -3.825 1.206 1.00 0.76 C ATOM 321 O TRP A 334 2.290 -2.752 1.110 1.00 0.83 O ATOM 322 CB TRP A 334 5.220 -3.770 2.122 1.00 0.89 C ATOM 323 CG TRP A 334 5.449 -2.336 1.748 1.00 1.04 C ATOM 324 CD1 TRP A 334 5.436 -1.802 0.490 1.00 1.68 C ATOM 325 CD2 TRP A 334 5.750 -1.255 2.639 1.00 1.63 C ATOM 326 NE1 TRP A 334 5.700 -0.456 0.547 1.00 2.16 N ATOM 327 CE2 TRP A 334 5.896 -0.097 1.856 1.00 2.03 C ATOM 328 CE3 TRP A 334 5.906 -1.154 4.024 1.00 2.43 C ATOM 329 CZ2 TRP A 334 6.191 1.146 2.410 1.00 2.72 C ATOM 330 CZ3 TRP A 334 6.195 0.083 4.573 1.00 3.17 C ATOM 331 CH2 TRP A 334 6.335 1.218 3.766 1.00 3.18 C ATOM 0 H TRP A 334 4.419 -6.122 2.372 1.00 0.67 H new ATOM 0 HA TRP A 334 3.393 -3.539 3.256 1.00 0.77 H new ATOM 0 HB2 TRP A 334 5.823 -4.002 3.000 1.00 0.89 H new ATOM 0 HB3 TRP A 334 5.579 -4.404 1.311 1.00 0.89 H new ATOM 0 HD1 TRP A 334 5.246 -2.358 -0.416 1.00 1.68 H new ATOM 0 HE1 TRP A 334 5.743 0.174 -0.254 1.00 2.16 H new ATOM 0 HE3 TRP A 334 5.803 -2.025 4.654 1.00 2.43 H new ATOM 0 HZ2 TRP A 334 6.302 2.023 1.789 1.00 2.72 H new ATOM 0 HZ3 TRP A 334 6.315 0.174 5.642 1.00 3.17 H new ATOM 0 HH2 TRP A 334 6.561 2.169 4.225 1.00 3.18 H new ATOM 342 N GLY A 335 2.802 -4.777 0.297 1.00 0.74 N ATOM 343 CA GLY A 335 2.029 -4.576 -0.910 1.00 0.83 C ATOM 344 C GLY A 335 0.540 -4.508 -0.638 1.00 0.76 C ATOM 345 O GLY A 335 -0.197 -3.834 -1.358 1.00 0.80 O ATOM 0 H GLY A 335 3.253 -5.689 0.371 1.00 0.74 H new ATOM 0 HA2 GLY A 335 2.350 -3.653 -1.394 1.00 0.83 H new ATOM 0 HA3 GLY A 335 2.231 -5.389 -1.607 1.00 0.83 H new ATOM 349 N MET A 336 0.094 -5.187 0.414 1.00 0.70 N ATOM 350 CA MET A 336 -1.325 -5.212 0.753 1.00 0.70 C ATOM 351 C MET A 336 -1.806 -3.835 1.192 1.00 0.61 C ATOM 352 O MET A 336 -2.987 -3.534 1.098 1.00 0.61 O ATOM 353 CB MET A 336 -1.621 -6.231 1.853 1.00 0.80 C ATOM 354 CG MET A 336 -3.113 -6.434 2.098 1.00 0.93 C ATOM 355 SD MET A 336 -3.959 -7.130 0.664 1.00 1.58 S ATOM 356 CE MET A 336 -3.112 -8.700 0.491 1.00 2.31 C ATOM 0 H MET A 336 0.690 -5.724 1.043 1.00 0.70 H new ATOM 0 HA MET A 336 -1.863 -5.508 -0.148 1.00 0.70 H new ATOM 0 HB2 MET A 336 -1.170 -7.186 1.585 1.00 0.80 H new ATOM 0 HB3 MET A 336 -1.148 -5.904 2.779 1.00 0.80 H new ATOM 0 HG2 MET A 336 -3.251 -7.095 2.954 1.00 0.93 H new ATOM 0 HG3 MET A 336 -3.569 -5.478 2.357 1.00 0.93 H new ATOM 0 HE1 MET A 336 -3.735 -9.388 -0.080 1.00 2.31 H new ATOM 0 HE2 MET A 336 -2.167 -8.548 -0.030 1.00 2.31 H new ATOM 0 HE3 MET A 336 -2.919 -9.120 1.478 1.00 2.31 H new ATOM 366 N MET A 337 -0.886 -3.004 1.667 1.00 0.61 N ATOM 367 CA MET A 337 -1.232 -1.654 2.108 1.00 0.62 C ATOM 368 C MET A 337 -1.916 -0.887 0.976 1.00 0.56 C ATOM 369 O MET A 337 -2.958 -0.262 1.174 1.00 0.59 O ATOM 370 CB MET A 337 0.019 -0.906 2.576 1.00 0.74 C ATOM 371 CG MET A 337 -0.251 0.513 3.054 1.00 1.19 C ATOM 372 SD MET A 337 1.236 1.345 3.652 1.00 2.22 S ATOM 373 CE MET A 337 2.288 1.256 2.202 1.00 3.15 C ATOM 0 H MET A 337 0.103 -3.238 1.757 1.00 0.61 H new ATOM 0 HA MET A 337 -1.923 -1.730 2.947 1.00 0.62 H new ATOM 0 HB2 MET A 337 0.485 -1.469 3.385 1.00 0.74 H new ATOM 0 HB3 MET A 337 0.737 -0.872 1.757 1.00 0.74 H new ATOM 0 HG2 MET A 337 -0.681 1.091 2.236 1.00 1.19 H new ATOM 0 HG3 MET A 337 -0.993 0.488 3.852 1.00 1.19 H new ATOM 0 HE1 MET A 337 3.084 1.997 2.284 1.00 3.15 H new ATOM 0 HE2 MET A 337 2.725 0.260 2.130 1.00 3.15 H new ATOM 0 HE3 MET A 337 1.695 1.457 1.310 1.00 3.15 H new ATOM 383 N GLY A 338 -1.340 -0.967 -0.220 1.00 0.60 N ATOM 384 CA GLY A 338 -1.943 -0.337 -1.379 1.00 0.66 C ATOM 385 C GLY A 338 -3.209 -1.037 -1.803 1.00 0.57 C ATOM 386 O GLY A 338 -4.184 -0.383 -2.145 1.00 0.58 O ATOM 0 H GLY A 338 -0.465 -1.458 -0.406 1.00 0.60 H new ATOM 0 HA2 GLY A 338 -2.163 0.706 -1.152 1.00 0.66 H new ATOM 0 HA3 GLY A 338 -1.232 -0.340 -2.205 1.00 0.66 H new ATOM 390 N MET A 339 -3.215 -2.363 -1.748 1.00 0.58 N ATOM 391 CA MET A 339 -4.400 -3.128 -2.119 1.00 0.66 C ATOM 392 C MET A 339 -5.558 -2.757 -1.216 1.00 0.54 C ATOM 393 O MET A 339 -6.681 -2.547 -1.675 1.00 0.62 O ATOM 394 CB MET A 339 -4.140 -4.618 -1.976 1.00 0.85 C ATOM 395 CG MET A 339 -2.892 -5.096 -2.695 1.00 1.24 C ATOM 396 SD MET A 339 -2.900 -4.699 -4.454 1.00 2.05 S ATOM 397 CE MET A 339 -1.270 -5.277 -4.927 1.00 2.55 C ATOM 0 H MET A 339 -2.419 -2.928 -1.452 1.00 0.58 H new ATOM 0 HA MET A 339 -4.641 -2.896 -3.156 1.00 0.66 H new ATOM 0 HB2 MET A 339 -4.053 -4.862 -0.917 1.00 0.85 H new ATOM 0 HB3 MET A 339 -5.001 -5.166 -2.360 1.00 0.85 H new ATOM 0 HG2 MET A 339 -2.016 -4.645 -2.230 1.00 1.24 H new ATOM 0 HG3 MET A 339 -2.798 -6.175 -2.572 1.00 1.24 H new ATOM 0 HE1 MET A 339 -1.117 -5.103 -5.992 1.00 2.55 H new ATOM 0 HE2 MET A 339 -0.513 -4.736 -4.359 1.00 2.55 H new ATOM 0 HE3 MET A 339 -1.187 -6.344 -4.718 1.00 2.55 H new ATOM 407 N LEU A 340 -5.254 -2.641 0.068 1.00 0.46 N ATOM 408 CA LEU A 340 -6.252 -2.344 1.070 1.00 0.58 C ATOM 409 C LEU A 340 -6.823 -0.943 0.859 1.00 0.56 C ATOM 410 O LEU A 340 -8.040 -0.736 0.884 1.00 0.69 O ATOM 411 CB LEU A 340 -5.640 -2.452 2.470 1.00 0.73 C ATOM 412 CG LEU A 340 -6.608 -2.195 3.628 1.00 1.13 C ATOM 413 CD1 LEU A 340 -7.715 -3.235 3.637 1.00 1.60 C ATOM 414 CD2 LEU A 340 -5.864 -2.202 4.954 1.00 1.76 C ATOM 0 H LEU A 340 -4.310 -2.751 0.438 1.00 0.46 H new ATOM 0 HA LEU A 340 -7.061 -3.068 0.977 1.00 0.58 H new ATOM 0 HB2 LEU A 340 -5.216 -3.449 2.587 1.00 0.73 H new ATOM 0 HB3 LEU A 340 -4.815 -1.744 2.544 1.00 0.73 H new ATOM 0 HG LEU A 340 -7.058 -1.212 3.489 1.00 1.13 H new ATOM 0 HD11 LEU A 340 -8.394 -3.037 4.467 1.00 1.60 H new ATOM 0 HD12 LEU A 340 -8.266 -3.188 2.698 1.00 1.60 H new ATOM 0 HD13 LEU A 340 -7.280 -4.228 3.753 1.00 1.60 H new ATOM 0 HD21 LEU A 340 -6.567 -2.018 5.767 1.00 1.76 H new ATOM 0 HD22 LEU A 340 -5.388 -3.172 5.099 1.00 1.76 H new ATOM 0 HD23 LEU A 340 -5.103 -1.421 4.948 1.00 1.76 H new ATOM 426 N ALA A 341 -5.927 0.010 0.634 1.00 0.52 N ATOM 427 CA ALA A 341 -6.299 1.399 0.429 1.00 0.69 C ATOM 428 C ALA A 341 -7.023 1.584 -0.896 1.00 0.70 C ATOM 429 O ALA A 341 -7.937 2.398 -1.002 1.00 0.88 O ATOM 430 CB ALA A 341 -5.067 2.287 0.488 1.00 0.82 C ATOM 0 H ALA A 341 -4.922 -0.161 0.589 1.00 0.52 H new ATOM 0 HA ALA A 341 -6.982 1.688 1.228 1.00 0.69 H new ATOM 0 HB1 ALA A 341 -5.359 3.326 0.333 1.00 0.82 H new ATOM 0 HB2 ALA A 341 -4.592 2.186 1.464 1.00 0.82 H new ATOM 0 HB3 ALA A 341 -4.365 1.988 -0.290 1.00 0.82 H new ATOM 436 N SER A 342 -6.635 0.800 -1.896 1.00 0.64 N ATOM 437 CA SER A 342 -7.201 0.942 -3.228 1.00 0.84 C ATOM 438 C SER A 342 -8.667 0.510 -3.239 1.00 0.86 C ATOM 439 O SER A 342 -9.448 0.942 -4.086 1.00 1.04 O ATOM 440 CB SER A 342 -6.414 0.122 -4.250 1.00 1.02 C ATOM 441 OG SER A 342 -5.080 0.584 -4.357 1.00 1.61 O ATOM 0 H SER A 342 -5.934 0.064 -1.808 1.00 0.64 H new ATOM 0 HA SER A 342 -7.138 1.995 -3.504 1.00 0.84 H new ATOM 0 HB2 SER A 342 -6.416 -0.928 -3.957 1.00 1.02 H new ATOM 0 HB3 SER A 342 -6.902 0.183 -5.223 1.00 1.02 H new ATOM 0 HG SER A 342 -4.575 0.313 -3.562 1.00 1.61 H new ATOM 447 N GLN A 343 -9.029 -0.348 -2.291 1.00 0.77 N ATOM 448 CA GLN A 343 -10.406 -0.812 -2.141 1.00 0.94 C ATOM 449 C GLN A 343 -11.283 0.262 -1.508 1.00 1.02 C ATOM 450 O GLN A 343 -12.510 0.153 -1.501 1.00 1.20 O ATOM 451 CB GLN A 343 -10.461 -2.077 -1.282 1.00 1.05 C ATOM 452 CG GLN A 343 -9.660 -3.238 -1.843 1.00 1.73 C ATOM 453 CD GLN A 343 -9.680 -4.448 -0.931 1.00 2.21 C ATOM 454 OE1 GLN A 343 -8.842 -4.582 -0.037 1.00 2.89 O ATOM 455 NE2 GLN A 343 -10.636 -5.337 -1.145 1.00 2.59 N ATOM 0 H GLN A 343 -8.381 -0.740 -1.608 1.00 0.77 H new ATOM 0 HA GLN A 343 -10.784 -1.035 -3.139 1.00 0.94 H new ATOM 0 HB2 GLN A 343 -10.092 -1.843 -0.284 1.00 1.05 H new ATOM 0 HB3 GLN A 343 -11.501 -2.385 -1.173 1.00 1.05 H new ATOM 0 HG2 GLN A 343 -10.061 -3.515 -2.818 1.00 1.73 H new ATOM 0 HG3 GLN A 343 -8.629 -2.922 -2.000 1.00 1.73 H new ATOM 0 HE21 GLN A 343 -11.311 -5.190 -1.895 1.00 2.59 H new ATOM 0 HE22 GLN A 343 -10.698 -6.170 -0.559 1.00 2.59 H new ATOM 464 N GLN A 344 -10.625 1.278 -0.948 1.00 1.01 N ATOM 465 CA GLN A 344 -11.284 2.314 -0.163 1.00 1.26 C ATOM 466 C GLN A 344 -11.850 1.721 1.117 1.00 1.63 C ATOM 467 O GLN A 344 -12.832 2.214 1.665 1.00 2.07 O ATOM 468 CB GLN A 344 -12.388 3.020 -0.958 1.00 1.72 C ATOM 469 CG GLN A 344 -11.863 3.953 -2.040 1.00 1.96 C ATOM 470 CD GLN A 344 -11.034 5.095 -1.479 1.00 2.53 C ATOM 471 OE1 GLN A 344 -9.815 4.988 -1.353 1.00 3.07 O ATOM 472 NE2 GLN A 344 -11.692 6.192 -1.140 1.00 3.10 N ATOM 0 H GLN A 344 -9.616 1.403 -1.029 1.00 1.01 H new ATOM 0 HA GLN A 344 -10.534 3.064 0.089 1.00 1.26 H new ATOM 0 HB2 GLN A 344 -13.029 2.268 -1.419 1.00 1.72 H new ATOM 0 HB3 GLN A 344 -13.011 3.591 -0.269 1.00 1.72 H new ATOM 0 HG2 GLN A 344 -11.258 3.382 -2.744 1.00 1.96 H new ATOM 0 HG3 GLN A 344 -12.704 4.361 -2.601 1.00 1.96 H new ATOM 0 HE21 GLN A 344 -12.704 6.238 -1.261 1.00 3.10 H new ATOM 0 HE22 GLN A 344 -11.187 6.992 -0.757 1.00 3.10 H new ATOM 481 N ASN A 345 -11.190 0.669 1.603 1.00 2.06 N ATOM 482 CA ASN A 345 -11.596 -0.030 2.814 1.00 2.81 C ATOM 483 C ASN A 345 -11.394 0.868 4.028 1.00 3.10 C ATOM 484 O ASN A 345 -11.863 0.579 5.125 1.00 3.64 O ATOM 485 CB ASN A 345 -10.769 -1.306 2.944 1.00 3.55 C ATOM 486 CG ASN A 345 -11.308 -2.273 3.989 1.00 4.38 C ATOM 487 OD1 ASN A 345 -10.919 -2.223 5.151 1.00 4.89 O ATOM 488 ND2 ASN A 345 -12.196 -3.167 3.576 1.00 4.81 N ATOM 0 H ASN A 345 -10.356 0.280 1.163 1.00 2.06 H new ATOM 0 HA ASN A 345 -12.653 -0.289 2.758 1.00 2.81 H new ATOM 0 HB2 ASN A 345 -10.736 -1.809 1.977 1.00 3.55 H new ATOM 0 HB3 ASN A 345 -9.743 -1.041 3.200 1.00 3.55 H new ATOM 0 HD21 ASN A 345 -12.580 -3.845 4.234 1.00 4.81 H new ATOM 0 HD22 ASN A 345 -12.495 -3.176 2.601 1.00 4.81 H new ATOM 495 N GLN A 346 -10.686 1.964 3.801 1.00 3.07 N ATOM 496 CA GLN A 346 -10.490 2.988 4.820 1.00 3.79 C ATOM 497 C GLN A 346 -11.834 3.584 5.225 1.00 3.92 C ATOM 498 O GLN A 346 -12.011 4.055 6.349 1.00 4.60 O ATOM 499 CB GLN A 346 -9.559 4.086 4.298 1.00 4.24 C ATOM 500 CG GLN A 346 -8.173 3.586 3.920 1.00 4.90 C ATOM 501 CD GLN A 346 -7.408 3.046 5.114 1.00 5.50 C ATOM 502 OE1 GLN A 346 -6.680 3.780 5.784 1.00 6.02 O ATOM 503 NE2 GLN A 346 -7.564 1.759 5.386 1.00 5.81 N ATOM 0 H GLN A 346 -10.233 2.170 2.911 1.00 3.07 H new ATOM 0 HA GLN A 346 -10.029 2.530 5.695 1.00 3.79 H new ATOM 0 HB2 GLN A 346 -10.017 4.554 3.426 1.00 4.24 H new ATOM 0 HB3 GLN A 346 -9.461 4.859 5.060 1.00 4.24 H new ATOM 0 HG2 GLN A 346 -8.265 2.804 3.167 1.00 4.90 H new ATOM 0 HG3 GLN A 346 -7.607 4.400 3.467 1.00 4.90 H new ATOM 0 HE21 GLN A 346 -8.177 1.186 4.806 1.00 5.81 H new ATOM 0 HE22 GLN A 346 -7.072 1.341 6.176 1.00 5.81 H new ATOM 512 N SER A 347 -12.774 3.558 4.289 1.00 3.53 N ATOM 513 CA SER A 347 -14.124 4.029 4.532 1.00 4.14 C ATOM 514 C SER A 347 -15.078 2.841 4.644 1.00 4.67 C ATOM 515 O SER A 347 -15.391 2.182 3.652 1.00 5.05 O ATOM 516 CB SER A 347 -14.561 4.973 3.407 1.00 4.47 C ATOM 517 OG SER A 347 -13.668 6.073 3.297 1.00 4.68 O ATOM 0 H SER A 347 -12.619 3.210 3.343 1.00 3.53 H new ATOM 0 HA SER A 347 -14.148 4.581 5.472 1.00 4.14 H new ATOM 0 HB2 SER A 347 -14.594 4.430 2.463 1.00 4.47 H new ATOM 0 HB3 SER A 347 -15.570 5.336 3.602 1.00 4.47 H new ATOM 0 HG SER A 347 -13.963 6.663 2.572 1.00 4.68 H new ATOM 523 N GLY A 348 -15.518 2.579 5.871 1.00 5.14 N ATOM 524 CA GLY A 348 -16.384 1.445 6.158 1.00 6.09 C ATOM 525 C GLY A 348 -17.722 1.472 5.425 1.00 6.66 C ATOM 526 O GLY A 348 -18.130 0.445 4.884 1.00 7.18 O ATOM 0 H GLY A 348 -15.285 3.144 6.688 1.00 5.14 H new ATOM 0 HA2 GLY A 348 -15.859 0.527 5.896 1.00 6.09 H new ATOM 0 HA3 GLY A 348 -16.572 1.410 7.231 1.00 6.09 H new ATOM 530 N PRO A 349 -18.455 2.605 5.423 1.00 6.87 N ATOM 531 CA PRO A 349 -19.733 2.718 4.703 1.00 7.59 C ATOM 532 C PRO A 349 -19.583 2.549 3.189 1.00 7.24 C ATOM 533 O PRO A 349 -19.430 3.525 2.449 1.00 6.93 O ATOM 534 CB PRO A 349 -20.220 4.132 5.042 1.00 8.09 C ATOM 535 CG PRO A 349 -19.006 4.867 5.487 1.00 7.65 C ATOM 536 CD PRO A 349 -18.133 3.845 6.151 1.00 6.81 C ATOM 0 HA PRO A 349 -20.427 1.932 5.001 1.00 7.59 H new ATOM 0 HB2 PRO A 349 -20.674 4.611 4.174 1.00 8.09 H new ATOM 0 HB3 PRO A 349 -20.977 4.110 5.826 1.00 8.09 H new ATOM 0 HG2 PRO A 349 -18.495 5.328 4.641 1.00 7.65 H new ATOM 0 HG3 PRO A 349 -19.265 5.669 6.178 1.00 7.65 H new ATOM 0 HD2 PRO A 349 -17.077 4.100 6.065 1.00 6.81 H new ATOM 0 HD3 PRO A 349 -18.354 3.757 7.215 1.00 6.81 H new ATOM 544 N SER A 350 -19.636 1.306 2.739 1.00 7.62 N ATOM 545 CA SER A 350 -19.541 0.996 1.324 1.00 7.69 C ATOM 546 C SER A 350 -20.919 1.062 0.671 1.00 8.06 C ATOM 547 O SER A 350 -21.048 1.347 -0.522 1.00 8.21 O ATOM 548 CB SER A 350 -18.923 -0.391 1.139 1.00 8.35 C ATOM 549 OG SER A 350 -19.570 -1.349 1.959 1.00 8.86 O ATOM 0 H SER A 350 -19.745 0.489 3.340 1.00 7.62 H new ATOM 0 HA SER A 350 -18.901 1.734 0.841 1.00 7.69 H new ATOM 0 HB2 SER A 350 -19.000 -0.691 0.094 1.00 8.35 H new ATOM 0 HB3 SER A 350 -17.861 -0.356 1.383 1.00 8.35 H new ATOM 0 HG SER A 350 -19.159 -2.228 1.822 1.00 8.86 H new ATOM 555 N GLY A 351 -21.947 0.792 1.461 1.00 8.46 N ATOM 556 CA GLY A 351 -23.299 0.837 0.956 1.00 9.04 C ATOM 557 C GLY A 351 -23.877 -0.546 0.756 1.00 9.55 C ATOM 558 O GLY A 351 -24.172 -1.250 1.722 1.00 10.03 O ATOM 0 H GLY A 351 -21.866 0.542 2.447 1.00 8.46 H new ATOM 0 HA2 GLY A 351 -23.927 1.395 1.651 1.00 9.04 H new ATOM 0 HA3 GLY A 351 -23.314 1.376 0.009 1.00 9.04 H new ATOM 562 N ASN A 352 -24.025 -0.943 -0.498 1.00 9.68 N ATOM 563 CA ASN A 352 -24.596 -2.238 -0.831 1.00 10.39 C ATOM 564 C ASN A 352 -23.559 -3.128 -1.513 1.00 10.64 C ATOM 565 O ASN A 352 -23.793 -3.659 -2.598 1.00 11.07 O ATOM 566 CB ASN A 352 -25.833 -2.061 -1.728 1.00 10.83 C ATOM 567 CG ASN A 352 -25.532 -1.389 -3.062 1.00 10.91 C ATOM 568 OD1 ASN A 352 -24.625 -0.558 -3.180 1.00 11.08 O ATOM 569 ND2 ASN A 352 -26.302 -1.747 -4.077 1.00 11.02 N ATOM 0 H ASN A 352 -23.756 -0.383 -1.307 1.00 9.68 H new ATOM 0 HA ASN A 352 -24.905 -2.726 0.093 1.00 10.39 H new ATOM 0 HB2 ASN A 352 -26.277 -3.038 -1.916 1.00 10.83 H new ATOM 0 HB3 ASN A 352 -26.577 -1.470 -1.193 1.00 10.83 H new ATOM 0 HD21 ASN A 352 -26.157 -1.333 -4.998 1.00 11.02 H new ATOM 0 HD22 ASN A 352 -27.040 -2.437 -3.938 1.00 11.02 H new ATOM 576 N ASN A 353 -22.411 -3.285 -0.867 1.00 10.57 N ATOM 577 CA ASN A 353 -21.317 -4.086 -1.417 1.00 11.04 C ATOM 578 C ASN A 353 -21.699 -5.567 -1.475 1.00 11.52 C ATOM 579 O ASN A 353 -21.551 -6.296 -0.494 1.00 11.95 O ATOM 580 CB ASN A 353 -20.050 -3.904 -0.573 1.00 11.31 C ATOM 581 CG ASN A 353 -18.844 -4.645 -1.131 1.00 11.74 C ATOM 582 OD1 ASN A 353 -18.729 -4.704 -2.449 1.00 11.95 O flip ATOM 583 ND2 ASN A 353 -17.998 -5.128 -0.375 1.00 12.07 N flip ATOM 0 H ASN A 353 -22.210 -2.868 0.042 1.00 10.57 H new ATOM 0 HA ASN A 353 -21.122 -3.741 -2.432 1.00 11.04 H new ATOM 0 HB2 ASN A 353 -19.816 -2.842 -0.506 1.00 11.31 H new ATOM 0 HB3 ASN A 353 -20.244 -4.252 0.441 1.00 11.31 H new ATOM 0 HD21 ASN A 353 -18.121 -5.063 0.636 1.00 12.07 H new ATOM 0 HD22 ASN A 353 -17.176 -5.592 -0.760 1.00 12.07 H new ATOM 590 N GLN A 354 -22.191 -5.983 -2.639 1.00 11.62 N ATOM 591 CA GLN A 354 -22.628 -7.356 -2.882 1.00 12.24 C ATOM 592 C GLN A 354 -23.710 -7.779 -1.890 1.00 12.69 C ATOM 593 O GLN A 354 -23.507 -8.690 -1.082 1.00 12.83 O ATOM 594 CB GLN A 354 -21.446 -8.327 -2.832 1.00 12.40 C ATOM 595 CG GLN A 354 -21.782 -9.715 -3.358 1.00 12.50 C ATOM 596 CD GLN A 354 -20.645 -10.694 -3.177 1.00 12.74 C ATOM 597 OE1 GLN A 354 -19.787 -10.832 -4.045 1.00 13.09 O ATOM 598 NE2 GLN A 354 -20.630 -11.383 -2.048 1.00 12.76 N ATOM 0 H GLN A 354 -22.299 -5.371 -3.448 1.00 11.62 H new ATOM 0 HA GLN A 354 -23.057 -7.389 -3.884 1.00 12.24 H new ATOM 0 HB2 GLN A 354 -20.622 -7.915 -3.415 1.00 12.40 H new ATOM 0 HB3 GLN A 354 -21.098 -8.411 -1.803 1.00 12.40 H new ATOM 0 HG2 GLN A 354 -22.666 -10.091 -2.843 1.00 12.50 H new ATOM 0 HG3 GLN A 354 -22.034 -9.648 -4.416 1.00 12.50 H new ATOM 0 HE21 GLN A 354 -21.362 -11.238 -1.352 1.00 12.76 H new ATOM 0 HE22 GLN A 354 -19.886 -12.059 -1.873 1.00 12.76 H new ATOM 607 N ASN A 355 -24.857 -7.099 -1.959 1.00 13.09 N ATOM 608 CA ASN A 355 -26.017 -7.403 -1.115 1.00 13.71 C ATOM 609 C ASN A 355 -25.768 -7.038 0.347 1.00 14.13 C ATOM 610 O ASN A 355 -24.628 -6.936 0.804 1.00 14.46 O ATOM 611 CB ASN A 355 -26.418 -8.878 -1.239 1.00 14.16 C ATOM 612 CG ASN A 355 -26.953 -9.221 -2.616 1.00 14.18 C ATOM 613 OD1 ASN A 355 -27.535 -8.374 -3.300 1.00 14.03 O ATOM 614 ND2 ASN A 355 -26.770 -10.464 -3.031 1.00 14.53 N ATOM 0 H ASN A 355 -25.009 -6.322 -2.602 1.00 13.09 H new ATOM 0 HA ASN A 355 -26.843 -6.788 -1.474 1.00 13.71 H new ATOM 0 HB2 ASN A 355 -25.554 -9.506 -1.022 1.00 14.16 H new ATOM 0 HB3 ASN A 355 -27.176 -9.109 -0.490 1.00 14.16 H new ATOM 0 HD21 ASN A 355 -27.115 -10.752 -3.947 1.00 14.53 H new ATOM 0 HD22 ASN A 355 -26.284 -11.134 -2.435 1.00 14.53 H new ATOM 621 N GLN A 356 -26.855 -6.831 1.078 1.00 14.28 N ATOM 622 CA GLN A 356 -26.766 -6.416 2.471 1.00 14.82 C ATOM 623 C GLN A 356 -26.746 -7.621 3.406 1.00 15.14 C ATOM 624 O GLN A 356 -26.837 -7.471 4.623 1.00 15.47 O ATOM 625 CB GLN A 356 -27.926 -5.484 2.837 1.00 15.22 C ATOM 626 CG GLN A 356 -29.299 -6.113 2.671 1.00 15.23 C ATOM 627 CD GLN A 356 -30.418 -5.213 3.151 1.00 15.68 C ATOM 628 OE1 GLN A 356 -30.807 -5.256 4.317 1.00 15.74 O ATOM 629 NE2 GLN A 356 -30.941 -4.387 2.261 1.00 16.15 N ATOM 0 H GLN A 356 -27.807 -6.943 0.730 1.00 14.28 H new ATOM 0 HA GLN A 356 -25.829 -5.873 2.593 1.00 14.82 H new ATOM 0 HB2 GLN A 356 -27.808 -5.162 3.872 1.00 15.22 H new ATOM 0 HB3 GLN A 356 -27.870 -4.590 2.217 1.00 15.22 H new ATOM 0 HG2 GLN A 356 -29.458 -6.354 1.620 1.00 15.23 H new ATOM 0 HG3 GLN A 356 -29.332 -7.053 3.223 1.00 15.23 H new ATOM 0 HE21 GLN A 356 -30.591 -4.381 1.303 1.00 16.15 H new ATOM 0 HE22 GLN A 356 -31.695 -3.756 2.532 1.00 16.15 H new ATOM 638 N GLY A 357 -26.630 -8.813 2.837 1.00 15.18 N ATOM 639 CA GLY A 357 -26.582 -10.018 3.637 1.00 15.65 C ATOM 640 C GLY A 357 -26.448 -11.259 2.785 1.00 15.86 C ATOM 641 O GLY A 357 -26.592 -11.190 1.562 1.00 15.64 O ATOM 0 H GLY A 357 -26.568 -8.966 1.830 1.00 15.18 H new ATOM 0 HA2 GLY A 357 -25.741 -9.961 4.329 1.00 15.65 H new ATOM 0 HA3 GLY A 357 -27.487 -10.089 4.240 1.00 15.65 H new ATOM 645 N ASN A 358 -26.167 -12.383 3.439 1.00 16.44 N ATOM 646 CA ASN A 358 -26.028 -13.680 2.773 1.00 16.86 C ATOM 647 C ASN A 358 -24.884 -13.692 1.761 1.00 17.18 C ATOM 648 O ASN A 358 -25.096 -13.544 0.558 1.00 17.48 O ATOM 649 CB ASN A 358 -27.336 -14.101 2.093 1.00 17.22 C ATOM 650 CG ASN A 358 -28.377 -14.597 3.078 1.00 17.53 C ATOM 651 OD1 ASN A 358 -28.432 -14.156 4.229 1.00 17.56 O ATOM 652 ND2 ASN A 358 -29.201 -15.531 2.638 1.00 17.90 N ATOM 0 H ASN A 358 -26.028 -12.423 4.449 1.00 16.44 H new ATOM 0 HA ASN A 358 -25.789 -14.403 3.553 1.00 16.86 H new ATOM 0 HB2 ASN A 358 -27.741 -13.254 1.539 1.00 17.22 H new ATOM 0 HB3 ASN A 358 -27.126 -14.886 1.367 1.00 17.22 H new ATOM 0 HD21 ASN A 358 -29.915 -15.914 3.257 1.00 17.90 H new ATOM 0 HD22 ASN A 358 -29.123 -15.869 1.679 1.00 17.90 H new ATOM 659 N MET A 359 -23.670 -13.879 2.255 1.00 17.25 N ATOM 660 CA MET A 359 -22.520 -14.062 1.382 1.00 17.69 C ATOM 661 C MET A 359 -22.371 -15.547 1.082 1.00 18.15 C ATOM 662 O MET A 359 -22.331 -15.963 -0.079 1.00 18.48 O ATOM 663 CB MET A 359 -21.251 -13.514 2.046 1.00 17.88 C ATOM 664 CG MET A 359 -20.002 -13.643 1.183 1.00 17.66 C ATOM 665 SD MET A 359 -18.545 -12.893 1.941 1.00 17.52 S ATOM 666 CE MET A 359 -19.050 -11.177 2.015 1.00 17.09 C ATOM 0 H MET A 359 -23.455 -13.908 3.252 1.00 17.25 H new ATOM 0 HA MET A 359 -22.671 -13.514 0.452 1.00 17.69 H new ATOM 0 HB2 MET A 359 -21.405 -12.463 2.291 1.00 17.88 H new ATOM 0 HB3 MET A 359 -21.088 -14.040 2.986 1.00 17.88 H new ATOM 0 HG2 MET A 359 -19.805 -14.698 0.994 1.00 17.66 H new ATOM 0 HG3 MET A 359 -20.184 -13.174 0.216 1.00 17.66 H new ATOM 0 HE1 MET A 359 -18.167 -10.540 2.063 1.00 17.09 H new ATOM 0 HE2 MET A 359 -19.629 -10.929 1.125 1.00 17.09 H new ATOM 0 HE3 MET A 359 -19.662 -11.016 2.902 1.00 17.09 H new ATOM 676 N GLN A 360 -22.305 -16.331 2.156 1.00 18.31 N ATOM 677 CA GLN A 360 -22.290 -17.787 2.091 1.00 18.89 C ATOM 678 C GLN A 360 -22.034 -18.329 3.490 1.00 19.30 C ATOM 679 O GLN A 360 -20.888 -18.721 3.787 1.00 19.39 O ATOM 680 CB GLN A 360 -21.231 -18.315 1.114 1.00 19.26 C ATOM 681 CG GLN A 360 -21.339 -19.809 0.819 1.00 19.39 C ATOM 682 CD GLN A 360 -22.556 -20.192 -0.023 1.00 19.60 C ATOM 683 OE1 GLN A 360 -23.652 -19.459 0.112 1.00 19.85 O flip ATOM 684 NE2 GLN A 360 -22.507 -21.153 -0.791 1.00 19.63 N flip ATOM 685 OXT GLN A 360 -22.978 -18.310 4.303 1.00 19.65 O ATOM 0 H GLN A 360 -22.260 -15.966 3.107 1.00 18.31 H new ATOM 0 HA GLN A 360 -23.256 -18.127 1.718 1.00 18.89 H new ATOM 0 HB2 GLN A 360 -21.311 -17.765 0.177 1.00 19.26 H new ATOM 0 HB3 GLN A 360 -20.242 -18.107 1.522 1.00 19.26 H new ATOM 0 HG2 GLN A 360 -20.436 -20.133 0.301 1.00 19.39 H new ATOM 0 HG3 GLN A 360 -21.378 -20.353 1.763 1.00 19.39 H new ATOM 0 HE21 GLN A 360 -21.648 -21.698 -0.872 1.00 19.63 H new ATOM 0 HE22 GLN A 360 -23.325 -21.405 -1.346 1.00 19.63 H new TER 694 GLN A 360