USER MOD reduce.3.24.130724 H: found=0, std=0, add=331, rem=0, adj=11 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 180:sc= 0 (180deg=0) USER MOD Single : A 312 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 317 SER OG : rot 180:sc= 0 USER MOD Single : A 319 ASN :FLIP amide:sc= -0.0197 F(o=-0.93,f=-0.02) USER MOD Single : A 322 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 323 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 327 GLN : amide:sc= -0.157 K(o=-0.16,f=-1.2) USER MOD Single : A 331 GLN : amide:sc= 0 X(o=0,f=0.35) USER MOD Single : A 332 SER OG : rot 180:sc= 0 USER MOD Single : A 333 SER OG : rot 180:sc= 0 USER MOD Single : A 336 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 337 MET CE :methyl 159:sc= -0.209 (180deg=-0.869) USER MOD Single : A 339 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 342 SER OG : rot 180:sc= 0 USER MOD Single : A 343 GLN : amide:sc= -1.28! X(o=-1.3!,f=-1.4) USER MOD Single : A 344 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 345 ASN : amide:sc= -0.0763 X(o=-0.076,f=-0.024) USER MOD Single : A 346 GLN : amide:sc= -0.0319 K(o=-0.032,f=-1.1) USER MOD Single : A 347 SER OG : rot 180:sc= 0 USER MOD Single : A 350 SER OG : rot 180:sc= 0 USER MOD Single : A 352 ASN :FLIP amide:sc= -0.137 F(o=-1.2!,f=-0.14) USER MOD Single : A 353 ASN : amide:sc= -0.0547 X(o=-0.055,f=-0.33) USER MOD Single : A 354 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 355 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 356 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 358 ASN : amide:sc= -0.142 K(o=-0.14,f=-2.7!) USER MOD Single : A 359 MET CE :methyl 162:sc= -0.153 (180deg=-0.681) USER MOD Single : A 360 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 311 31.201 9.884 13.458 1.00 17.40 N ATOM 2 CA MET A 311 31.519 9.022 12.295 1.00 17.36 C ATOM 3 C MET A 311 30.235 8.619 11.580 1.00 16.99 C ATOM 4 O MET A 311 29.947 7.432 11.412 1.00 17.05 O ATOM 5 CB MET A 311 32.283 7.772 12.752 1.00 17.89 C ATOM 6 CG MET A 311 33.563 8.085 13.505 1.00 18.43 C ATOM 7 SD MET A 311 34.419 6.599 14.067 1.00 18.82 S ATOM 8 CE MET A 311 35.739 7.327 15.034 1.00 19.56 C ATOM 0 HA MET A 311 32.149 9.582 11.604 1.00 17.36 H new ATOM 0 HB2 MET A 311 31.634 7.172 13.389 1.00 17.89 H new ATOM 0 HB3 MET A 311 32.524 7.164 11.880 1.00 17.89 H new ATOM 0 HG2 MET A 311 34.227 8.661 12.861 1.00 18.43 H new ATOM 0 HG3 MET A 311 33.330 8.713 14.365 1.00 18.43 H new ATOM 0 HE1 MET A 311 36.362 6.537 15.453 1.00 19.56 H new ATOM 0 HE2 MET A 311 36.347 7.968 14.396 1.00 19.56 H new ATOM 0 HE3 MET A 311 35.313 7.920 15.843 1.00 19.56 H new ATOM 20 N ASN A 312 29.459 9.613 11.163 1.00 16.75 N ATOM 21 CA ASN A 312 28.174 9.363 10.524 1.00 16.58 C ATOM 22 C ASN A 312 28.261 9.554 9.017 1.00 16.05 C ATOM 23 O ASN A 312 27.697 10.497 8.463 1.00 15.92 O ATOM 24 CB ASN A 312 27.082 10.268 11.110 1.00 16.82 C ATOM 25 CG ASN A 312 26.637 9.827 12.490 1.00 16.95 C ATOM 26 OD1 ASN A 312 27.193 10.249 13.503 1.00 17.07 O ATOM 27 ND2 ASN A 312 25.628 8.973 12.538 1.00 17.09 N ATOM 0 H ASN A 312 29.698 10.600 11.256 1.00 16.75 H new ATOM 0 HA ASN A 312 27.908 8.325 10.723 1.00 16.58 H new ATOM 0 HB2 ASN A 312 27.453 11.292 11.162 1.00 16.82 H new ATOM 0 HB3 ASN A 312 26.222 10.274 10.440 1.00 16.82 H new ATOM 0 HD21 ASN A 312 25.284 8.640 13.439 1.00 17.09 H new ATOM 0 HD22 ASN A 312 25.194 8.647 11.674 1.00 17.09 H new ATOM 34 N PHE A 313 28.980 8.655 8.362 1.00 15.90 N ATOM 35 CA PHE A 313 29.035 8.633 6.908 1.00 15.59 C ATOM 36 C PHE A 313 28.305 7.401 6.392 1.00 14.78 C ATOM 37 O PHE A 313 28.559 6.911 5.293 1.00 14.72 O ATOM 38 CB PHE A 313 30.483 8.666 6.411 1.00 16.04 C ATOM 39 CG PHE A 313 31.158 9.985 6.660 1.00 16.54 C ATOM 40 CD1 PHE A 313 31.096 11.001 5.720 1.00 16.60 C ATOM 41 CD2 PHE A 313 31.857 10.207 7.835 1.00 17.11 C ATOM 42 CE1 PHE A 313 31.719 12.214 5.947 1.00 17.21 C ATOM 43 CE2 PHE A 313 32.482 11.417 8.067 1.00 17.71 C ATOM 44 CZ PHE A 313 32.402 12.428 7.115 1.00 17.76 C ATOM 0 H PHE A 313 29.535 7.929 8.816 1.00 15.90 H new ATOM 0 HA PHE A 313 28.541 9.524 6.521 1.00 15.59 H new ATOM 0 HB2 PHE A 313 31.049 7.876 6.904 1.00 16.04 H new ATOM 0 HB3 PHE A 313 30.500 8.451 5.343 1.00 16.04 H new ATOM 0 HD1 PHE A 313 30.554 10.843 4.799 1.00 16.60 H new ATOM 0 HD2 PHE A 313 31.914 9.425 8.578 1.00 17.11 H new ATOM 0 HE1 PHE A 313 31.667 12.994 5.202 1.00 17.21 H new ATOM 0 HE2 PHE A 313 33.030 11.577 8.984 1.00 17.71 H new ATOM 0 HZ PHE A 313 32.878 13.380 7.296 1.00 17.76 H new ATOM 54 N GLY A 314 27.397 6.905 7.224 1.00 14.30 N ATOM 55 CA GLY A 314 26.572 5.772 6.876 1.00 13.66 C ATOM 56 C GLY A 314 25.242 5.844 7.593 1.00 13.23 C ATOM 57 O GLY A 314 25.171 5.608 8.801 1.00 13.59 O ATOM 0 H GLY A 314 27.218 7.281 8.155 1.00 14.30 H new ATOM 0 HA2 GLY A 314 26.410 5.750 5.798 1.00 13.66 H new ATOM 0 HA3 GLY A 314 27.084 4.847 7.140 1.00 13.66 H new ATOM 61 N ALA A 315 24.200 6.205 6.858 1.00 12.65 N ATOM 62 CA ALA A 315 22.887 6.436 7.448 1.00 12.37 C ATOM 63 C ALA A 315 22.279 5.141 7.977 1.00 11.49 C ATOM 64 O ALA A 315 22.272 4.900 9.182 1.00 11.05 O ATOM 65 CB ALA A 315 21.956 7.098 6.440 1.00 12.55 C ATOM 0 H ALA A 315 24.238 6.345 5.848 1.00 12.65 H new ATOM 0 HA ALA A 315 23.015 7.110 8.295 1.00 12.37 H new ATOM 0 HB1 ALA A 315 20.981 7.262 6.899 1.00 12.55 H new ATOM 0 HB2 ALA A 315 22.377 8.054 6.129 1.00 12.55 H new ATOM 0 HB3 ALA A 315 21.843 6.452 5.570 1.00 12.55 H new ATOM 71 N PHE A 316 21.784 4.311 7.073 1.00 11.43 N ATOM 72 CA PHE A 316 21.151 3.054 7.442 1.00 10.85 C ATOM 73 C PHE A 316 21.426 2.013 6.368 1.00 10.07 C ATOM 74 O PHE A 316 22.342 1.197 6.494 1.00 9.85 O ATOM 75 CB PHE A 316 19.634 3.223 7.629 1.00 11.20 C ATOM 76 CG PHE A 316 19.246 4.178 8.723 1.00 11.56 C ATOM 77 CD1 PHE A 316 19.283 3.783 10.052 1.00 11.89 C ATOM 78 CD2 PHE A 316 18.851 5.471 8.425 1.00 11.80 C ATOM 79 CE1 PHE A 316 18.926 4.660 11.058 1.00 12.42 C ATOM 80 CE2 PHE A 316 18.491 6.351 9.428 1.00 12.36 C ATOM 81 CZ PHE A 316 18.524 5.944 10.744 1.00 12.67 C ATOM 0 H PHE A 316 21.809 4.487 6.069 1.00 11.43 H new ATOM 0 HA PHE A 316 21.571 2.726 8.393 1.00 10.85 H new ATOM 0 HB2 PHE A 316 19.201 3.569 6.691 1.00 11.20 H new ATOM 0 HB3 PHE A 316 19.196 2.248 7.842 1.00 11.20 H new ATOM 0 HD1 PHE A 316 19.594 2.780 10.303 1.00 11.89 H new ATOM 0 HD2 PHE A 316 18.824 5.796 7.395 1.00 11.80 H new ATOM 0 HE1 PHE A 316 18.961 4.342 12.090 1.00 12.42 H new ATOM 0 HE2 PHE A 316 18.184 7.357 9.181 1.00 12.36 H new ATOM 0 HZ PHE A 316 18.236 6.628 11.529 1.00 12.67 H new ATOM 91 N SER A 317 20.650 2.062 5.297 1.00 9.87 N ATOM 92 CA SER A 317 20.848 1.160 4.182 1.00 9.34 C ATOM 93 C SER A 317 22.010 1.657 3.328 1.00 8.25 C ATOM 94 O SER A 317 21.909 2.693 2.666 1.00 8.10 O ATOM 95 CB SER A 317 19.567 1.068 3.344 1.00 9.90 C ATOM 96 OG SER A 317 19.646 0.025 2.383 1.00 10.38 O ATOM 0 H SER A 317 19.878 2.718 5.180 1.00 9.87 H new ATOM 0 HA SER A 317 21.083 0.165 4.558 1.00 9.34 H new ATOM 0 HB2 SER A 317 18.714 0.896 4.000 1.00 9.90 H new ATOM 0 HB3 SER A 317 19.393 2.018 2.838 1.00 9.90 H new ATOM 0 HG SER A 317 18.814 -0.008 1.867 1.00 10.38 H new ATOM 102 N ILE A 318 23.126 0.932 3.380 1.00 7.73 N ATOM 103 CA ILE A 318 24.328 1.302 2.638 1.00 6.82 C ATOM 104 C ILE A 318 24.068 1.288 1.130 1.00 6.18 C ATOM 105 O ILE A 318 24.633 2.091 0.384 1.00 6.36 O ATOM 106 CB ILE A 318 25.513 0.367 2.991 1.00 6.89 C ATOM 107 CG1 ILE A 318 26.752 0.732 2.163 1.00 7.43 C ATOM 108 CG2 ILE A 318 25.129 -1.096 2.794 1.00 7.27 C ATOM 109 CD1 ILE A 318 27.971 -0.098 2.492 1.00 7.71 C ATOM 0 H ILE A 318 23.222 0.080 3.932 1.00 7.73 H new ATOM 0 HA ILE A 318 24.596 2.317 2.931 1.00 6.82 H new ATOM 0 HB ILE A 318 25.758 0.506 4.044 1.00 6.89 H new ATOM 0 HG12 ILE A 318 26.518 0.614 1.105 1.00 7.43 H new ATOM 0 HG13 ILE A 318 26.987 1.784 2.322 1.00 7.43 H new ATOM 0 HG21 ILE A 318 25.977 -1.732 3.048 1.00 7.27 H new ATOM 0 HG22 ILE A 318 24.285 -1.341 3.439 1.00 7.27 H new ATOM 0 HG23 ILE A 318 24.850 -1.262 1.753 1.00 7.27 H new ATOM 0 HD11 ILE A 318 28.806 0.218 1.867 1.00 7.71 H new ATOM 0 HD12 ILE A 318 28.232 0.039 3.542 1.00 7.71 H new ATOM 0 HD13 ILE A 318 27.756 -1.150 2.306 1.00 7.71 H new ATOM 121 N ASN A 319 23.210 0.379 0.691 1.00 5.79 N ATOM 122 CA ASN A 319 22.817 0.307 -0.708 1.00 5.44 C ATOM 123 C ASN A 319 21.309 0.134 -0.814 1.00 4.60 C ATOM 124 O ASN A 319 20.770 -0.903 -0.421 1.00 4.37 O ATOM 125 CB ASN A 319 23.523 -0.847 -1.436 1.00 6.14 C ATOM 126 CG ASN A 319 25.030 -0.676 -1.497 1.00 6.86 C ATOM 127 OD1 ASN A 319 25.743 -1.346 -0.606 1.00 7.02 O flip ATOM 128 ND2 ASN A 319 25.553 0.033 -2.357 1.00 7.58 N flip ATOM 0 H ASN A 319 22.771 -0.322 1.287 1.00 5.79 H new ATOM 0 HA ASN A 319 23.116 1.240 -1.186 1.00 5.44 H new ATOM 0 HB2 ASN A 319 23.289 -1.785 -0.932 1.00 6.14 H new ATOM 0 HB3 ASN A 319 23.130 -0.924 -2.450 1.00 6.14 H new ATOM 0 HD21 ASN A 319 24.971 0.535 -3.027 1.00 7.58 H new ATOM 0 HD22 ASN A 319 26.569 0.119 -2.399 1.00 7.58 H new ATOM 135 N PRO A 320 20.611 1.155 -1.346 1.00 4.45 N ATOM 136 CA PRO A 320 19.145 1.148 -1.489 1.00 4.02 C ATOM 137 C PRO A 320 18.640 -0.034 -2.318 1.00 3.55 C ATOM 138 O PRO A 320 17.459 -0.388 -2.257 1.00 3.28 O ATOM 139 CB PRO A 320 18.837 2.477 -2.196 1.00 4.60 C ATOM 140 CG PRO A 320 20.136 2.943 -2.754 1.00 5.20 C ATOM 141 CD PRO A 320 21.196 2.408 -1.842 1.00 5.13 C ATOM 0 HA PRO A 320 18.649 1.045 -0.524 1.00 4.02 H new ATOM 0 HB2 PRO A 320 18.098 2.339 -2.985 1.00 4.60 H new ATOM 0 HB3 PRO A 320 18.426 3.206 -1.498 1.00 4.60 H new ATOM 0 HG2 PRO A 320 20.277 2.578 -3.771 1.00 5.20 H new ATOM 0 HG3 PRO A 320 20.173 4.031 -2.798 1.00 5.20 H new ATOM 0 HD2 PRO A 320 22.132 2.233 -2.372 1.00 5.13 H new ATOM 0 HD3 PRO A 320 21.414 3.100 -1.029 1.00 5.13 H new ATOM 149 N ALA A 321 19.538 -0.644 -3.087 1.00 3.54 N ATOM 150 CA ALA A 321 19.211 -1.832 -3.865 1.00 3.23 C ATOM 151 C ALA A 321 18.703 -2.957 -2.965 1.00 2.87 C ATOM 152 O ALA A 321 17.822 -3.719 -3.358 1.00 2.56 O ATOM 153 CB ALA A 321 20.420 -2.302 -4.658 1.00 3.49 C ATOM 0 H ALA A 321 20.504 -0.331 -3.187 1.00 3.54 H new ATOM 0 HA ALA A 321 18.416 -1.565 -4.561 1.00 3.23 H new ATOM 0 HB1 ALA A 321 20.156 -3.190 -5.232 1.00 3.49 H new ATOM 0 HB2 ALA A 321 20.739 -1.512 -5.338 1.00 3.49 H new ATOM 0 HB3 ALA A 321 21.234 -2.542 -3.973 1.00 3.49 H new ATOM 159 N MET A 322 19.249 -3.039 -1.752 1.00 3.00 N ATOM 160 CA MET A 322 18.852 -4.071 -0.796 1.00 2.79 C ATOM 161 C MET A 322 17.410 -3.850 -0.341 1.00 2.47 C ATOM 162 O MET A 322 16.636 -4.799 -0.193 1.00 2.15 O ATOM 163 CB MET A 322 19.801 -4.069 0.410 1.00 3.15 C ATOM 164 CG MET A 322 19.510 -5.156 1.433 1.00 3.58 C ATOM 165 SD MET A 322 19.665 -6.817 0.751 1.00 4.04 S ATOM 166 CE MET A 322 19.407 -7.807 2.220 1.00 5.05 C ATOM 0 H MET A 322 19.968 -2.402 -1.408 1.00 3.00 H new ATOM 0 HA MET A 322 18.913 -5.043 -1.286 1.00 2.79 H new ATOM 0 HB2 MET A 322 20.824 -4.186 0.053 1.00 3.15 H new ATOM 0 HB3 MET A 322 19.744 -3.098 0.902 1.00 3.15 H new ATOM 0 HG2 MET A 322 20.194 -5.049 2.275 1.00 3.58 H new ATOM 0 HG3 MET A 322 18.501 -5.021 1.823 1.00 3.58 H new ATOM 0 HE1 MET A 322 19.473 -8.864 1.963 1.00 5.05 H new ATOM 0 HE2 MET A 322 20.170 -7.566 2.960 1.00 5.05 H new ATOM 0 HE3 MET A 322 18.421 -7.595 2.633 1.00 5.05 H new ATOM 176 N MET A 323 17.055 -2.590 -0.133 1.00 2.62 N ATOM 177 CA MET A 323 15.698 -2.226 0.247 1.00 2.46 C ATOM 178 C MET A 323 14.740 -2.519 -0.901 1.00 2.10 C ATOM 179 O MET A 323 13.622 -2.985 -0.694 1.00 1.85 O ATOM 180 CB MET A 323 15.653 -0.744 0.641 1.00 2.84 C ATOM 181 CG MET A 323 14.274 -0.224 1.029 1.00 3.05 C ATOM 182 SD MET A 323 13.266 0.255 -0.392 1.00 3.43 S ATOM 183 CE MET A 323 11.815 0.916 0.430 1.00 3.62 C ATOM 0 H MET A 323 17.692 -1.799 -0.222 1.00 2.62 H new ATOM 0 HA MET A 323 15.387 -2.820 1.106 1.00 2.46 H new ATOM 0 HB2 MET A 323 16.334 -0.585 1.477 1.00 2.84 H new ATOM 0 HB3 MET A 323 16.028 -0.150 -0.193 1.00 2.84 H new ATOM 0 HG2 MET A 323 13.749 -0.993 1.595 1.00 3.05 H new ATOM 0 HG3 MET A 323 14.390 0.635 1.690 1.00 3.05 H new ATOM 0 HE1 MET A 323 11.097 1.255 -0.316 1.00 3.62 H new ATOM 0 HE2 MET A 323 11.360 0.140 1.045 1.00 3.62 H new ATOM 0 HE3 MET A 323 12.105 1.756 1.061 1.00 3.62 H new ATOM 193 N ALA A 324 15.207 -2.268 -2.114 1.00 2.17 N ATOM 194 CA ALA A 324 14.417 -2.510 -3.316 1.00 1.99 C ATOM 195 C ALA A 324 14.200 -4.004 -3.522 1.00 1.65 C ATOM 196 O ALA A 324 13.101 -4.445 -3.863 1.00 1.44 O ATOM 197 CB ALA A 324 15.099 -1.900 -4.534 1.00 2.32 C ATOM 0 H ALA A 324 16.138 -1.893 -2.295 1.00 2.17 H new ATOM 0 HA ALA A 324 13.445 -2.034 -3.189 1.00 1.99 H new ATOM 0 HB1 ALA A 324 14.496 -2.090 -5.422 1.00 2.32 H new ATOM 0 HB2 ALA A 324 15.205 -0.825 -4.391 1.00 2.32 H new ATOM 0 HB3 ALA A 324 16.084 -2.348 -4.662 1.00 2.32 H new ATOM 203 N ALA A 325 15.262 -4.780 -3.308 1.00 1.69 N ATOM 204 CA ALA A 325 15.186 -6.235 -3.370 1.00 1.53 C ATOM 205 C ALA A 325 14.216 -6.759 -2.315 1.00 1.28 C ATOM 206 O ALA A 325 13.537 -7.767 -2.519 1.00 1.15 O ATOM 207 CB ALA A 325 16.567 -6.854 -3.181 1.00 1.81 C ATOM 0 H ALA A 325 16.191 -4.420 -3.089 1.00 1.69 H new ATOM 0 HA ALA A 325 14.816 -6.520 -4.355 1.00 1.53 H new ATOM 0 HB1 ALA A 325 16.489 -7.940 -3.231 1.00 1.81 H new ATOM 0 HB2 ALA A 325 17.234 -6.502 -3.968 1.00 1.81 H new ATOM 0 HB3 ALA A 325 16.966 -6.563 -2.209 1.00 1.81 H new ATOM 213 N ALA A 326 14.157 -6.059 -1.189 1.00 1.36 N ATOM 214 CA ALA A 326 13.265 -6.403 -0.109 1.00 1.30 C ATOM 215 C ALA A 326 11.833 -6.109 -0.510 1.00 1.05 C ATOM 216 O ALA A 326 10.932 -6.848 -0.154 1.00 0.93 O ATOM 217 CB ALA A 326 13.650 -5.621 1.136 1.00 1.68 C ATOM 0 H ALA A 326 14.731 -5.236 -1.007 1.00 1.36 H new ATOM 0 HA ALA A 326 13.347 -7.468 0.109 1.00 1.30 H new ATOM 0 HB1 ALA A 326 12.976 -5.881 1.952 1.00 1.68 H new ATOM 0 HB2 ALA A 326 14.674 -5.867 1.418 1.00 1.68 H new ATOM 0 HB3 ALA A 326 13.577 -4.553 0.932 1.00 1.68 H new ATOM 223 N GLN A 327 11.637 -5.036 -1.273 1.00 1.11 N ATOM 224 CA GLN A 327 10.307 -4.656 -1.747 1.00 1.11 C ATOM 225 C GLN A 327 9.669 -5.768 -2.562 1.00 0.86 C ATOM 226 O GLN A 327 8.463 -5.991 -2.476 1.00 0.84 O ATOM 227 CB GLN A 327 10.371 -3.394 -2.591 1.00 1.38 C ATOM 228 CG GLN A 327 10.734 -2.147 -1.800 1.00 1.63 C ATOM 229 CD GLN A 327 9.711 -1.809 -0.735 1.00 1.81 C ATOM 230 OE1 GLN A 327 9.799 -2.279 0.400 1.00 2.56 O ATOM 231 NE2 GLN A 327 8.745 -0.980 -1.087 1.00 1.90 N ATOM 0 H GLN A 327 12.384 -4.412 -1.577 1.00 1.11 H new ATOM 0 HA GLN A 327 9.695 -4.470 -0.864 1.00 1.11 H new ATOM 0 HB2 GLN A 327 11.104 -3.536 -3.385 1.00 1.38 H new ATOM 0 HB3 GLN A 327 9.405 -3.240 -3.072 1.00 1.38 H new ATOM 0 HG2 GLN A 327 11.707 -2.291 -1.330 1.00 1.63 H new ATOM 0 HG3 GLN A 327 10.832 -1.304 -2.484 1.00 1.63 H new ATOM 0 HE21 GLN A 327 8.709 -0.613 -2.038 1.00 1.90 H new ATOM 0 HE22 GLN A 327 8.035 -0.706 -0.408 1.00 1.90 H new ATOM 240 N ALA A 328 10.479 -6.450 -3.364 1.00 0.82 N ATOM 241 CA ALA A 328 10.013 -7.611 -4.110 1.00 0.84 C ATOM 242 C ALA A 328 9.366 -8.604 -3.180 1.00 0.70 C ATOM 243 O ALA A 328 8.304 -9.153 -3.453 1.00 0.80 O ATOM 244 CB ALA A 328 11.162 -8.315 -4.793 1.00 0.98 C ATOM 0 H ALA A 328 11.461 -6.218 -3.514 1.00 0.82 H new ATOM 0 HA ALA A 328 9.300 -7.252 -4.852 1.00 0.84 H new ATOM 0 HB1 ALA A 328 10.785 -9.178 -5.342 1.00 0.98 H new ATOM 0 HB2 ALA A 328 11.649 -7.629 -5.485 1.00 0.98 H new ATOM 0 HB3 ALA A 328 11.882 -8.647 -4.045 1.00 0.98 H new ATOM 250 N ALA A 329 10.038 -8.826 -2.071 1.00 0.61 N ATOM 251 CA ALA A 329 9.634 -9.840 -1.139 1.00 0.69 C ATOM 252 C ALA A 329 8.519 -9.310 -0.245 1.00 0.55 C ATOM 253 O ALA A 329 7.555 -10.005 0.084 1.00 0.63 O ATOM 254 CB ALA A 329 10.823 -10.304 -0.310 1.00 0.92 C ATOM 0 H ALA A 329 10.874 -8.309 -1.797 1.00 0.61 H new ATOM 0 HA ALA A 329 9.254 -10.699 -1.692 1.00 0.69 H new ATOM 0 HB1 ALA A 329 10.499 -11.073 0.392 1.00 0.92 H new ATOM 0 HB2 ALA A 329 11.589 -10.713 -0.969 1.00 0.92 H new ATOM 0 HB3 ALA A 329 11.234 -9.459 0.242 1.00 0.92 H new ATOM 260 N LEU A 330 8.683 -8.049 0.120 1.00 0.46 N ATOM 261 CA LEU A 330 7.787 -7.328 1.008 1.00 0.45 C ATOM 262 C LEU A 330 6.450 -7.037 0.330 1.00 0.41 C ATOM 263 O LEU A 330 5.513 -6.561 0.976 1.00 0.46 O ATOM 264 CB LEU A 330 8.452 -6.011 1.427 1.00 0.59 C ATOM 265 CG LEU A 330 7.927 -5.407 2.730 1.00 0.93 C ATOM 266 CD1 LEU A 330 8.164 -6.357 3.891 1.00 1.52 C ATOM 267 CD2 LEU A 330 8.586 -4.064 2.998 1.00 1.59 C ATOM 0 H LEU A 330 9.467 -7.482 -0.203 1.00 0.46 H new ATOM 0 HA LEU A 330 7.591 -7.947 1.883 1.00 0.45 H new ATOM 0 HB2 LEU A 330 9.524 -6.179 1.528 1.00 0.59 H new ATOM 0 HB3 LEU A 330 8.318 -5.283 0.627 1.00 0.59 H new ATOM 0 HG LEU A 330 6.853 -5.250 2.628 1.00 0.93 H new ATOM 0 HD11 LEU A 330 7.784 -5.910 4.810 1.00 1.52 H new ATOM 0 HD12 LEU A 330 7.646 -7.297 3.703 1.00 1.52 H new ATOM 0 HD13 LEU A 330 9.233 -6.546 3.994 1.00 1.52 H new ATOM 0 HD21 LEU A 330 8.200 -3.649 3.929 1.00 1.59 H new ATOM 0 HD22 LEU A 330 9.665 -4.198 3.080 1.00 1.59 H new ATOM 0 HD23 LEU A 330 8.366 -3.381 2.178 1.00 1.59 H new ATOM 279 N GLN A 331 6.376 -7.321 -0.973 1.00 0.46 N ATOM 280 CA GLN A 331 5.209 -6.976 -1.789 1.00 0.59 C ATOM 281 C GLN A 331 3.895 -7.450 -1.158 1.00 0.59 C ATOM 282 O GLN A 331 2.850 -6.826 -1.330 1.00 0.70 O ATOM 283 CB GLN A 331 5.333 -7.591 -3.185 1.00 0.77 C ATOM 284 CG GLN A 331 5.267 -9.108 -3.182 1.00 1.46 C ATOM 285 CD GLN A 331 5.085 -9.687 -4.565 1.00 1.83 C ATOM 286 OE1 GLN A 331 6.051 -9.973 -5.266 1.00 2.27 O ATOM 287 NE2 GLN A 331 3.839 -9.880 -4.958 1.00 2.41 N ATOM 0 H GLN A 331 7.118 -7.793 -1.489 1.00 0.46 H new ATOM 0 HA GLN A 331 5.186 -5.888 -1.854 1.00 0.59 H new ATOM 0 HB2 GLN A 331 4.536 -7.201 -3.818 1.00 0.77 H new ATOM 0 HB3 GLN A 331 6.277 -7.276 -3.630 1.00 0.77 H new ATOM 0 HG2 GLN A 331 6.182 -9.506 -2.743 1.00 1.46 H new ATOM 0 HG3 GLN A 331 4.442 -9.430 -2.546 1.00 1.46 H new ATOM 0 HE21 GLN A 331 3.065 -9.628 -4.343 1.00 2.41 H new ATOM 0 HE22 GLN A 331 3.650 -10.281 -5.877 1.00 2.41 H new ATOM 296 N SER A 332 3.959 -8.547 -0.417 1.00 0.53 N ATOM 297 CA SER A 332 2.777 -9.133 0.185 1.00 0.59 C ATOM 298 C SER A 332 2.327 -8.308 1.384 1.00 0.58 C ATOM 299 O SER A 332 1.144 -8.011 1.539 1.00 0.67 O ATOM 300 CB SER A 332 3.044 -10.583 0.598 1.00 0.63 C ATOM 301 OG SER A 332 1.832 -11.273 0.858 1.00 1.46 O ATOM 0 H SER A 332 4.824 -9.050 -0.219 1.00 0.53 H new ATOM 0 HA SER A 332 1.977 -9.131 -0.555 1.00 0.59 H new ATOM 0 HB2 SER A 332 3.594 -11.094 -0.192 1.00 0.63 H new ATOM 0 HB3 SER A 332 3.674 -10.601 1.487 1.00 0.63 H new ATOM 0 HG SER A 332 2.031 -12.197 1.118 1.00 1.46 H new ATOM 307 N SER A 333 3.281 -7.925 2.218 1.00 0.54 N ATOM 308 CA SER A 333 2.974 -7.257 3.466 1.00 0.62 C ATOM 309 C SER A 333 2.771 -5.757 3.256 1.00 0.65 C ATOM 310 O SER A 333 1.798 -5.182 3.740 1.00 0.70 O ATOM 311 CB SER A 333 4.108 -7.498 4.464 1.00 0.74 C ATOM 312 OG SER A 333 4.446 -8.874 4.525 1.00 1.39 O ATOM 0 H SER A 333 4.277 -8.067 2.049 1.00 0.54 H new ATOM 0 HA SER A 333 2.044 -7.668 3.859 1.00 0.62 H new ATOM 0 HB2 SER A 333 4.983 -6.917 4.173 1.00 0.74 H new ATOM 0 HB3 SER A 333 3.808 -7.149 5.452 1.00 0.74 H new ATOM 0 HG SER A 333 5.174 -9.004 5.168 1.00 1.39 H new ATOM 318 N TRP A 334 3.675 -5.128 2.521 1.00 0.67 N ATOM 319 CA TRP A 334 3.628 -3.684 2.342 1.00 0.77 C ATOM 320 C TRP A 334 2.765 -3.318 1.137 1.00 0.76 C ATOM 321 O TRP A 334 2.002 -2.353 1.179 1.00 0.83 O ATOM 322 CB TRP A 334 5.043 -3.123 2.168 1.00 0.89 C ATOM 323 CG TRP A 334 5.115 -1.629 2.267 1.00 1.04 C ATOM 324 CD1 TRP A 334 5.286 -0.740 1.241 1.00 1.68 C ATOM 325 CD2 TRP A 334 5.016 -0.847 3.461 1.00 1.63 C ATOM 326 NE1 TRP A 334 5.298 0.545 1.729 1.00 2.16 N ATOM 327 CE2 TRP A 334 5.133 0.506 3.089 1.00 2.03 C ATOM 328 CE3 TRP A 334 4.833 -1.156 4.813 1.00 2.43 C ATOM 329 CZ2 TRP A 334 5.080 1.542 4.017 1.00 2.72 C ATOM 330 CZ3 TRP A 334 4.781 -0.126 5.734 1.00 3.17 C ATOM 331 CH2 TRP A 334 4.901 1.210 5.332 1.00 3.18 C ATOM 0 H TRP A 334 4.447 -5.591 2.041 1.00 0.67 H new ATOM 0 HA TRP A 334 3.182 -3.243 3.233 1.00 0.77 H new ATOM 0 HB2 TRP A 334 5.693 -3.560 2.926 1.00 0.89 H new ATOM 0 HB3 TRP A 334 5.431 -3.433 1.198 1.00 0.89 H new ATOM 0 HD1 TRP A 334 5.395 -1.008 0.201 1.00 1.68 H new ATOM 0 HE1 TRP A 334 5.411 1.390 1.170 1.00 2.16 H new ATOM 0 HE3 TRP A 334 4.734 -2.183 5.132 1.00 2.43 H new ATOM 0 HZ2 TRP A 334 5.177 2.573 3.709 1.00 2.72 H new ATOM 0 HZ3 TRP A 334 4.646 -0.356 6.781 1.00 3.17 H new ATOM 0 HH2 TRP A 334 4.851 1.993 6.074 1.00 3.18 H new ATOM 342 N GLY A 335 2.874 -4.108 0.076 1.00 0.74 N ATOM 343 CA GLY A 335 2.141 -3.829 -1.148 1.00 0.83 C ATOM 344 C GLY A 335 0.636 -3.945 -0.986 1.00 0.76 C ATOM 345 O GLY A 335 -0.123 -3.270 -1.685 1.00 0.80 O ATOM 0 H GLY A 335 3.460 -4.942 0.040 1.00 0.74 H new ATOM 0 HA2 GLY A 335 2.386 -2.823 -1.489 1.00 0.83 H new ATOM 0 HA3 GLY A 335 2.470 -4.518 -1.926 1.00 0.83 H new ATOM 349 N MET A 336 0.196 -4.796 -0.065 1.00 0.70 N ATOM 350 CA MET A 336 -1.231 -5.009 0.144 1.00 0.70 C ATOM 351 C MET A 336 -1.874 -3.785 0.783 1.00 0.61 C ATOM 352 O MET A 336 -3.077 -3.587 0.665 1.00 0.61 O ATOM 353 CB MET A 336 -1.493 -6.241 1.016 1.00 0.80 C ATOM 354 CG MET A 336 -2.963 -6.647 1.067 1.00 0.93 C ATOM 355 SD MET A 336 -3.258 -8.048 2.164 1.00 1.58 S ATOM 356 CE MET A 336 -5.023 -8.266 1.961 1.00 2.31 C ATOM 0 H MET A 336 0.802 -5.346 0.544 1.00 0.70 H new ATOM 0 HA MET A 336 -1.678 -5.178 -0.836 1.00 0.70 H new ATOM 0 HB2 MET A 336 -0.906 -7.077 0.636 1.00 0.80 H new ATOM 0 HB3 MET A 336 -1.144 -6.041 2.029 1.00 0.80 H new ATOM 0 HG2 MET A 336 -3.559 -5.798 1.400 1.00 0.93 H new ATOM 0 HG3 MET A 336 -3.301 -6.900 0.062 1.00 0.93 H new ATOM 0 HE1 MET A 336 -5.360 -9.099 2.578 1.00 2.31 H new ATOM 0 HE2 MET A 336 -5.539 -7.356 2.266 1.00 2.31 H new ATOM 0 HE3 MET A 336 -5.246 -8.476 0.915 1.00 2.31 H new ATOM 366 N MET A 337 -1.067 -2.968 1.458 1.00 0.61 N ATOM 367 CA MET A 337 -1.572 -1.766 2.122 1.00 0.62 C ATOM 368 C MET A 337 -2.329 -0.880 1.132 1.00 0.56 C ATOM 369 O MET A 337 -3.433 -0.418 1.419 1.00 0.59 O ATOM 370 CB MET A 337 -0.420 -0.982 2.759 1.00 0.74 C ATOM 371 CG MET A 337 -0.866 0.276 3.490 1.00 1.19 C ATOM 372 SD MET A 337 0.509 1.181 4.227 1.00 2.22 S ATOM 373 CE MET A 337 1.491 1.543 2.773 1.00 3.15 C ATOM 0 H MET A 337 -0.063 -3.115 1.560 1.00 0.61 H new ATOM 0 HA MET A 337 -2.262 -2.075 2.907 1.00 0.62 H new ATOM 0 HB2 MET A 337 0.106 -1.631 3.459 1.00 0.74 H new ATOM 0 HB3 MET A 337 0.293 -0.706 1.982 1.00 0.74 H new ATOM 0 HG2 MET A 337 -1.392 0.928 2.793 1.00 1.19 H new ATOM 0 HG3 MET A 337 -1.576 0.004 4.271 1.00 1.19 H new ATOM 0 HE1 MET A 337 2.151 2.385 2.980 1.00 3.15 H new ATOM 0 HE2 MET A 337 2.089 0.670 2.511 1.00 3.15 H new ATOM 0 HE3 MET A 337 0.832 1.794 1.942 1.00 3.15 H new ATOM 383 N GLY A 338 -1.733 -0.662 -0.038 1.00 0.60 N ATOM 384 CA GLY A 338 -2.388 0.114 -1.075 1.00 0.66 C ATOM 385 C GLY A 338 -3.611 -0.586 -1.617 1.00 0.57 C ATOM 386 O GLY A 338 -4.633 0.047 -1.845 1.00 0.58 O ATOM 0 H GLY A 338 -0.807 -1.010 -0.285 1.00 0.60 H new ATOM 0 HA2 GLY A 338 -2.674 1.086 -0.674 1.00 0.66 H new ATOM 0 HA3 GLY A 338 -1.686 0.299 -1.888 1.00 0.66 H new ATOM 390 N MET A 339 -3.517 -1.898 -1.800 1.00 0.58 N ATOM 391 CA MET A 339 -4.642 -2.679 -2.304 1.00 0.66 C ATOM 392 C MET A 339 -5.819 -2.572 -1.355 1.00 0.54 C ATOM 393 O MET A 339 -6.964 -2.373 -1.772 1.00 0.62 O ATOM 394 CB MET A 339 -4.239 -4.145 -2.430 1.00 0.85 C ATOM 395 CG MET A 339 -5.288 -5.039 -3.085 1.00 1.24 C ATOM 396 SD MET A 339 -6.592 -5.552 -1.948 1.00 2.05 S ATOM 397 CE MET A 339 -7.620 -6.546 -3.025 1.00 2.55 C ATOM 0 H MET A 339 -2.676 -2.443 -1.608 1.00 0.58 H new ATOM 0 HA MET A 339 -4.926 -2.289 -3.281 1.00 0.66 H new ATOM 0 HB2 MET A 339 -3.317 -4.206 -3.008 1.00 0.85 H new ATOM 0 HB3 MET A 339 -4.019 -4.534 -1.436 1.00 0.85 H new ATOM 0 HG2 MET A 339 -5.735 -4.508 -3.925 1.00 1.24 H new ATOM 0 HG3 MET A 339 -4.799 -5.925 -3.491 1.00 1.24 H new ATOM 0 HE1 MET A 339 -8.469 -6.933 -2.462 1.00 2.55 H new ATOM 0 HE2 MET A 339 -7.981 -5.933 -3.851 1.00 2.55 H new ATOM 0 HE3 MET A 339 -7.036 -7.378 -3.419 1.00 2.55 H new ATOM 407 N LEU A 340 -5.508 -2.667 -0.071 1.00 0.46 N ATOM 408 CA LEU A 340 -6.518 -2.694 0.962 1.00 0.58 C ATOM 409 C LEU A 340 -7.217 -1.339 1.063 1.00 0.56 C ATOM 410 O LEU A 340 -8.446 -1.254 1.119 1.00 0.69 O ATOM 411 CB LEU A 340 -5.879 -3.053 2.306 1.00 0.73 C ATOM 412 CG LEU A 340 -6.847 -3.158 3.489 1.00 1.13 C ATOM 413 CD1 LEU A 340 -7.814 -4.318 3.290 1.00 1.60 C ATOM 414 CD2 LEU A 340 -6.078 -3.322 4.793 1.00 1.76 C ATOM 0 H LEU A 340 -4.551 -2.727 0.277 1.00 0.46 H new ATOM 0 HA LEU A 340 -7.260 -3.450 0.704 1.00 0.58 H new ATOM 0 HB2 LEU A 340 -5.359 -4.005 2.199 1.00 0.73 H new ATOM 0 HB3 LEU A 340 -5.124 -2.303 2.542 1.00 0.73 H new ATOM 0 HG LEU A 340 -7.425 -2.236 3.542 1.00 1.13 H new ATOM 0 HD11 LEU A 340 -8.493 -4.376 4.141 1.00 1.60 H new ATOM 0 HD12 LEU A 340 -8.389 -4.160 2.377 1.00 1.60 H new ATOM 0 HD13 LEU A 340 -7.253 -5.249 3.209 1.00 1.60 H new ATOM 0 HD21 LEU A 340 -6.781 -3.395 5.623 1.00 1.76 H new ATOM 0 HD22 LEU A 340 -5.474 -4.228 4.748 1.00 1.76 H new ATOM 0 HD23 LEU A 340 -5.428 -2.460 4.943 1.00 1.76 H new ATOM 426 N ALA A 341 -6.412 -0.278 1.084 1.00 0.52 N ATOM 427 CA ALA A 341 -6.924 1.082 1.197 1.00 0.69 C ATOM 428 C ALA A 341 -7.628 1.524 -0.083 1.00 0.70 C ATOM 429 O ALA A 341 -8.623 2.249 -0.031 1.00 0.88 O ATOM 430 CB ALA A 341 -5.796 2.043 1.544 1.00 0.82 C ATOM 0 H ALA A 341 -5.396 -0.338 1.024 1.00 0.52 H new ATOM 0 HA ALA A 341 -7.661 1.096 2.000 1.00 0.69 H new ATOM 0 HB1 ALA A 341 -6.192 3.055 1.625 1.00 0.82 H new ATOM 0 HB2 ALA A 341 -5.349 1.751 2.494 1.00 0.82 H new ATOM 0 HB3 ALA A 341 -5.038 2.012 0.761 1.00 0.82 H new ATOM 436 N SER A 342 -7.126 1.065 -1.224 1.00 0.64 N ATOM 437 CA SER A 342 -7.639 1.501 -2.515 1.00 0.84 C ATOM 438 C SER A 342 -9.053 0.976 -2.748 1.00 0.86 C ATOM 439 O SER A 342 -9.906 1.679 -3.294 1.00 1.04 O ATOM 440 CB SER A 342 -6.719 1.027 -3.646 1.00 1.02 C ATOM 441 OG SER A 342 -7.209 1.422 -4.918 1.00 1.61 O ATOM 0 H SER A 342 -6.363 0.390 -1.280 1.00 0.64 H new ATOM 0 HA SER A 342 -7.669 2.591 -2.511 1.00 0.84 H new ATOM 0 HB2 SER A 342 -5.719 1.435 -3.498 1.00 1.02 H new ATOM 0 HB3 SER A 342 -6.628 -0.059 -3.611 1.00 1.02 H new ATOM 0 HG SER A 342 -6.599 1.105 -5.616 1.00 1.61 H new ATOM 447 N GLN A 343 -9.305 -0.259 -2.323 1.00 0.77 N ATOM 448 CA GLN A 343 -10.600 -0.884 -2.551 1.00 0.94 C ATOM 449 C GLN A 343 -11.662 -0.306 -1.618 1.00 1.02 C ATOM 450 O GLN A 343 -12.859 -0.502 -1.830 1.00 1.20 O ATOM 451 CB GLN A 343 -10.523 -2.407 -2.389 1.00 1.05 C ATOM 452 CG GLN A 343 -10.207 -2.865 -0.975 1.00 1.73 C ATOM 453 CD GLN A 343 -10.198 -4.377 -0.836 1.00 2.21 C ATOM 454 OE1 GLN A 343 -9.488 -4.929 0.000 1.00 2.89 O ATOM 455 NE2 GLN A 343 -10.992 -5.053 -1.654 1.00 2.59 N ATOM 0 H GLN A 343 -8.634 -0.841 -1.823 1.00 0.77 H new ATOM 0 HA GLN A 343 -10.888 -0.666 -3.579 1.00 0.94 H new ATOM 0 HB2 GLN A 343 -11.473 -2.843 -2.697 1.00 1.05 H new ATOM 0 HB3 GLN A 343 -9.761 -2.795 -3.064 1.00 1.05 H new ATOM 0 HG2 GLN A 343 -9.235 -2.471 -0.679 1.00 1.73 H new ATOM 0 HG3 GLN A 343 -10.943 -2.446 -0.289 1.00 1.73 H new ATOM 0 HE21 GLN A 343 -11.566 -4.555 -2.335 1.00 2.59 H new ATOM 0 HE22 GLN A 343 -11.029 -6.071 -1.603 1.00 2.59 H new ATOM 464 N GLN A 344 -11.198 0.398 -0.583 1.00 1.01 N ATOM 465 CA GLN A 344 -12.071 0.995 0.427 1.00 1.26 C ATOM 466 C GLN A 344 -12.799 -0.085 1.212 1.00 1.63 C ATOM 467 O GLN A 344 -14.020 -0.054 1.363 1.00 2.07 O ATOM 468 CB GLN A 344 -13.070 1.972 -0.209 1.00 1.72 C ATOM 469 CG GLN A 344 -12.406 3.162 -0.888 1.00 1.96 C ATOM 470 CD GLN A 344 -13.402 4.111 -1.531 1.00 2.53 C ATOM 471 OE1 GLN A 344 -14.520 3.575 -1.998 1.00 3.07 O flip ATOM 472 NE2 GLN A 344 -13.162 5.316 -1.615 1.00 3.10 N flip ATOM 0 H GLN A 344 -10.205 0.570 -0.423 1.00 1.01 H new ATOM 0 HA GLN A 344 -11.446 1.561 1.118 1.00 1.26 H new ATOM 0 HB2 GLN A 344 -13.674 1.436 -0.941 1.00 1.72 H new ATOM 0 HB3 GLN A 344 -13.751 2.336 0.561 1.00 1.72 H new ATOM 0 HG2 GLN A 344 -11.814 3.708 -0.154 1.00 1.96 H new ATOM 0 HG3 GLN A 344 -11.715 2.800 -1.649 1.00 1.96 H new ATOM 0 HE21 GLN A 344 -12.289 5.689 -1.243 1.00 3.10 H new ATOM 0 HE22 GLN A 344 -13.836 5.941 -2.057 1.00 3.10 H new ATOM 481 N ASN A 345 -12.021 -1.019 1.755 1.00 2.06 N ATOM 482 CA ASN A 345 -12.562 -2.165 2.468 1.00 2.81 C ATOM 483 C ASN A 345 -13.077 -1.741 3.838 1.00 3.10 C ATOM 484 O ASN A 345 -13.544 -2.557 4.631 1.00 3.64 O ATOM 485 CB ASN A 345 -11.475 -3.227 2.615 1.00 3.55 C ATOM 486 CG ASN A 345 -12.038 -4.625 2.796 1.00 4.38 C ATOM 487 OD1 ASN A 345 -12.287 -5.339 1.823 1.00 4.89 O ATOM 488 ND2 ASN A 345 -12.232 -5.033 4.036 1.00 4.81 N ATOM 0 H ASN A 345 -11.002 -1.000 1.711 1.00 2.06 H new ATOM 0 HA ASN A 345 -13.397 -2.580 1.903 1.00 2.81 H new ATOM 0 HB2 ASN A 345 -10.835 -3.210 1.733 1.00 3.55 H new ATOM 0 HB3 ASN A 345 -10.846 -2.980 3.470 1.00 3.55 H new ATOM 0 HD21 ASN A 345 -12.600 -5.968 4.214 1.00 4.81 H new ATOM 0 HD22 ASN A 345 -12.014 -4.414 4.817 1.00 4.81 H new ATOM 495 N GLN A 346 -12.961 -0.448 4.106 1.00 3.07 N ATOM 496 CA GLN A 346 -13.529 0.152 5.307 1.00 3.79 C ATOM 497 C GLN A 346 -15.049 0.026 5.287 1.00 3.92 C ATOM 498 O GLN A 346 -15.678 -0.027 6.345 1.00 4.60 O ATOM 499 CB GLN A 346 -13.130 1.628 5.403 1.00 4.24 C ATOM 500 CG GLN A 346 -13.424 2.427 4.142 1.00 4.90 C ATOM 501 CD GLN A 346 -13.306 3.920 4.357 1.00 5.50 C ATOM 502 OE1 GLN A 346 -13.578 4.427 5.445 1.00 6.02 O ATOM 503 NE2 GLN A 346 -12.889 4.633 3.325 1.00 5.81 N ATOM 0 H GLN A 346 -12.473 0.213 3.501 1.00 3.07 H new ATOM 0 HA GLN A 346 -13.140 -0.376 6.178 1.00 3.79 H new ATOM 0 HB2 GLN A 346 -13.657 2.083 6.241 1.00 4.24 H new ATOM 0 HB3 GLN A 346 -12.064 1.693 5.623 1.00 4.24 H new ATOM 0 HG2 GLN A 346 -12.735 2.122 3.354 1.00 4.90 H new ATOM 0 HG3 GLN A 346 -14.430 2.192 3.794 1.00 4.90 H new ATOM 0 HE21 GLN A 346 -12.674 4.173 2.440 1.00 5.81 H new ATOM 0 HE22 GLN A 346 -12.782 5.644 3.413 1.00 5.81 H new ATOM 512 N SER A 347 -15.624 -0.023 4.081 1.00 3.53 N ATOM 513 CA SER A 347 -17.070 -0.161 3.908 1.00 4.14 C ATOM 514 C SER A 347 -17.818 0.869 4.762 1.00 4.67 C ATOM 515 O SER A 347 -18.528 0.519 5.710 1.00 5.05 O ATOM 516 CB SER A 347 -17.506 -1.587 4.269 1.00 4.47 C ATOM 517 OG SER A 347 -16.770 -2.550 3.523 1.00 4.68 O ATOM 0 H SER A 347 -15.104 0.032 3.205 1.00 3.53 H new ATOM 0 HA SER A 347 -17.318 0.026 2.863 1.00 4.14 H new ATOM 0 HB2 SER A 347 -17.358 -1.757 5.335 1.00 4.47 H new ATOM 0 HB3 SER A 347 -18.571 -1.706 4.072 1.00 4.47 H new ATOM 0 HG SER A 347 -17.064 -3.451 3.772 1.00 4.68 H new ATOM 523 N GLY A 348 -17.635 2.142 4.424 1.00 5.14 N ATOM 524 CA GLY A 348 -18.205 3.215 5.218 1.00 6.09 C ATOM 525 C GLY A 348 -19.719 3.313 5.124 1.00 6.66 C ATOM 526 O GLY A 348 -20.397 3.277 6.155 1.00 7.18 O ATOM 0 H GLY A 348 -17.100 2.450 3.612 1.00 5.14 H new ATOM 0 HA2 GLY A 348 -17.924 3.071 6.261 1.00 6.09 H new ATOM 0 HA3 GLY A 348 -17.769 4.161 4.899 1.00 6.09 H new ATOM 530 N PRO A 349 -20.288 3.438 3.909 1.00 6.87 N ATOM 531 CA PRO A 349 -21.737 3.563 3.731 1.00 7.59 C ATOM 532 C PRO A 349 -22.493 2.298 4.129 1.00 7.24 C ATOM 533 O PRO A 349 -22.501 1.307 3.395 1.00 6.93 O ATOM 534 CB PRO A 349 -21.906 3.831 2.226 1.00 8.09 C ATOM 535 CG PRO A 349 -20.554 4.231 1.747 1.00 7.65 C ATOM 536 CD PRO A 349 -19.579 3.506 2.622 1.00 6.81 C ATOM 0 HA PRO A 349 -22.145 4.350 4.365 1.00 7.59 H new ATOM 0 HB2 PRO A 349 -22.261 2.942 1.705 1.00 8.09 H new ATOM 0 HB3 PRO A 349 -22.637 4.619 2.046 1.00 8.09 H new ATOM 0 HG2 PRO A 349 -20.415 3.962 0.700 1.00 7.65 H new ATOM 0 HG3 PRO A 349 -20.417 5.310 1.820 1.00 7.65 H new ATOM 0 HD2 PRO A 349 -19.347 2.514 2.235 1.00 6.81 H new ATOM 0 HD3 PRO A 349 -18.635 4.043 2.708 1.00 6.81 H new ATOM 544 N SER A 350 -23.119 2.336 5.297 1.00 7.62 N ATOM 545 CA SER A 350 -23.947 1.234 5.756 1.00 7.69 C ATOM 546 C SER A 350 -25.366 1.410 5.224 1.00 8.06 C ATOM 547 O SER A 350 -26.130 0.449 5.105 1.00 8.21 O ATOM 548 CB SER A 350 -23.958 1.177 7.284 1.00 8.35 C ATOM 549 OG SER A 350 -22.639 1.150 7.809 1.00 8.86 O ATOM 0 H SER A 350 -23.068 3.122 5.945 1.00 7.62 H new ATOM 0 HA SER A 350 -23.535 0.297 5.381 1.00 7.69 H new ATOM 0 HB2 SER A 350 -24.491 2.042 7.678 1.00 8.35 H new ATOM 0 HB3 SER A 350 -24.501 0.291 7.613 1.00 8.35 H new ATOM 0 HG SER A 350 -22.677 1.115 8.788 1.00 8.86 H new ATOM 555 N GLY A 351 -25.707 2.652 4.901 1.00 8.46 N ATOM 556 CA GLY A 351 -26.995 2.945 4.318 1.00 9.04 C ATOM 557 C GLY A 351 -26.916 3.008 2.810 1.00 9.55 C ATOM 558 O GLY A 351 -26.356 3.952 2.250 1.00 10.03 O ATOM 0 H GLY A 351 -25.106 3.465 5.035 1.00 8.46 H new ATOM 0 HA2 GLY A 351 -27.713 2.180 4.615 1.00 9.04 H new ATOM 0 HA3 GLY A 351 -27.363 3.895 4.705 1.00 9.04 H new ATOM 562 N ASN A 352 -27.455 1.994 2.154 1.00 9.68 N ATOM 563 CA ASN A 352 -27.431 1.922 0.698 1.00 10.39 C ATOM 564 C ASN A 352 -28.685 2.547 0.095 1.00 10.64 C ATOM 565 O ASN A 352 -29.557 3.036 0.816 1.00 11.07 O ATOM 566 CB ASN A 352 -27.281 0.471 0.232 1.00 10.83 C ATOM 567 CG ASN A 352 -25.845 -0.019 0.291 1.00 10.91 C ATOM 568 OD1 ASN A 352 -24.905 0.844 -0.068 1.00 11.08 O flip ATOM 569 ND2 ASN A 352 -25.583 -1.175 0.624 1.00 11.02 N flip ATOM 0 H ASN A 352 -27.917 1.205 2.607 1.00 9.68 H new ATOM 0 HA ASN A 352 -26.569 2.491 0.350 1.00 10.39 H new ATOM 0 HB2 ASN A 352 -27.905 -0.172 0.852 1.00 10.83 H new ATOM 0 HB3 ASN A 352 -27.649 0.382 -0.790 1.00 10.83 H new ATOM 0 HD21 ASN A 352 -26.334 -1.811 0.894 1.00 11.02 H new ATOM 0 HD22 ASN A 352 -24.615 -1.497 0.630 1.00 11.02 H new ATOM 576 N ASN A 353 -28.759 2.534 -1.228 1.00 10.57 N ATOM 577 CA ASN A 353 -29.871 3.139 -1.949 1.00 11.04 C ATOM 578 C ASN A 353 -31.054 2.185 -2.020 1.00 11.52 C ATOM 579 O ASN A 353 -30.888 0.966 -2.019 1.00 11.95 O ATOM 580 CB ASN A 353 -29.430 3.522 -3.369 1.00 11.31 C ATOM 581 CG ASN A 353 -29.035 2.316 -4.205 1.00 11.74 C ATOM 582 OD1 ASN A 353 -27.889 1.868 -4.163 1.00 11.95 O ATOM 583 ND2 ASN A 353 -29.976 1.785 -4.978 1.00 12.07 N ATOM 0 H ASN A 353 -28.055 2.107 -1.830 1.00 10.57 H new ATOM 0 HA ASN A 353 -30.179 4.035 -1.410 1.00 11.04 H new ATOM 0 HB2 ASN A 353 -30.241 4.054 -3.866 1.00 11.31 H new ATOM 0 HB3 ASN A 353 -28.587 4.210 -3.310 1.00 11.31 H new ATOM 0 HD21 ASN A 353 -29.760 0.978 -5.563 1.00 12.07 H new ATOM 0 HD22 ASN A 353 -30.915 2.184 -4.986 1.00 12.07 H new ATOM 590 N GLN A 354 -32.248 2.753 -2.073 1.00 11.62 N ATOM 591 CA GLN A 354 -33.463 1.971 -2.221 1.00 12.24 C ATOM 592 C GLN A 354 -33.983 2.093 -3.645 1.00 12.69 C ATOM 593 O GLN A 354 -33.266 2.570 -4.529 1.00 12.83 O ATOM 594 CB GLN A 354 -34.524 2.449 -1.228 1.00 12.40 C ATOM 595 CG GLN A 354 -34.154 2.213 0.225 1.00 12.50 C ATOM 596 CD GLN A 354 -35.229 2.699 1.178 1.00 12.74 C ATOM 597 OE1 GLN A 354 -36.152 1.957 1.523 1.00 13.09 O ATOM 598 NE2 GLN A 354 -35.119 3.945 1.607 1.00 12.76 N ATOM 0 H GLN A 354 -32.401 3.760 -2.015 1.00 11.62 H new ATOM 0 HA GLN A 354 -33.239 0.925 -2.013 1.00 12.24 H new ATOM 0 HB2 GLN A 354 -34.697 3.514 -1.381 1.00 12.40 H new ATOM 0 HB3 GLN A 354 -35.464 1.939 -1.441 1.00 12.40 H new ATOM 0 HG2 GLN A 354 -33.983 1.149 0.386 1.00 12.50 H new ATOM 0 HG3 GLN A 354 -33.217 2.724 0.447 1.00 12.50 H new ATOM 0 HE21 GLN A 354 -34.339 4.524 1.296 1.00 12.76 H new ATOM 0 HE22 GLN A 354 -35.814 4.327 2.249 1.00 12.76 H new ATOM 607 N ASN A 355 -35.226 1.658 -3.858 1.00 13.09 N ATOM 608 CA ASN A 355 -35.884 1.738 -5.164 1.00 13.71 C ATOM 609 C ASN A 355 -35.086 0.965 -6.210 1.00 14.13 C ATOM 610 O ASN A 355 -35.032 1.342 -7.383 1.00 14.46 O ATOM 611 CB ASN A 355 -36.074 3.201 -5.603 1.00 14.16 C ATOM 612 CG ASN A 355 -36.757 4.051 -4.545 1.00 14.18 C ATOM 613 OD1 ASN A 355 -37.984 4.067 -4.432 1.00 14.03 O ATOM 614 ND2 ASN A 355 -35.965 4.797 -3.787 1.00 14.53 N ATOM 0 H ASN A 355 -35.805 1.240 -3.130 1.00 13.09 H new ATOM 0 HA ASN A 355 -36.871 1.285 -5.072 1.00 13.71 H new ATOM 0 HB2 ASN A 355 -35.102 3.634 -5.838 1.00 14.16 H new ATOM 0 HB3 ASN A 355 -36.664 3.227 -6.519 1.00 14.16 H new ATOM 0 HD21 ASN A 355 -36.367 5.412 -3.080 1.00 14.53 H new ATOM 0 HD22 ASN A 355 -34.953 4.756 -3.911 1.00 14.53 H new ATOM 621 N GLN A 356 -34.465 -0.119 -5.758 1.00 14.28 N ATOM 622 CA GLN A 356 -33.655 -0.988 -6.604 1.00 14.82 C ATOM 623 C GLN A 356 -33.201 -2.179 -5.773 1.00 15.14 C ATOM 624 O GLN A 356 -33.672 -3.302 -5.960 1.00 15.47 O ATOM 625 CB GLN A 356 -32.449 -0.233 -7.174 1.00 15.22 C ATOM 626 CG GLN A 356 -31.547 -1.093 -8.041 1.00 15.23 C ATOM 627 CD GLN A 356 -30.487 -0.284 -8.759 1.00 15.68 C ATOM 628 OE1 GLN A 356 -30.699 0.174 -9.881 1.00 15.74 O ATOM 629 NE2 GLN A 356 -29.348 -0.096 -8.118 1.00 16.15 N ATOM 0 H GLN A 356 -34.510 -0.422 -4.785 1.00 14.28 H new ATOM 0 HA GLN A 356 -34.250 -1.331 -7.451 1.00 14.82 H new ATOM 0 HB2 GLN A 356 -32.805 0.613 -7.762 1.00 15.22 H new ATOM 0 HB3 GLN A 356 -31.864 0.176 -6.350 1.00 15.22 H new ATOM 0 HG2 GLN A 356 -31.064 -1.848 -7.420 1.00 15.23 H new ATOM 0 HG3 GLN A 356 -32.153 -1.624 -8.775 1.00 15.23 H new ATOM 0 HE21 GLN A 356 -29.214 -0.494 -7.188 1.00 16.15 H new ATOM 0 HE22 GLN A 356 -28.602 0.447 -8.552 1.00 16.15 H new ATOM 638 N GLY A 357 -32.300 -1.915 -4.839 1.00 15.18 N ATOM 639 CA GLY A 357 -31.935 -2.906 -3.855 1.00 15.65 C ATOM 640 C GLY A 357 -32.731 -2.699 -2.590 1.00 15.86 C ATOM 641 O GLY A 357 -32.212 -2.177 -1.603 1.00 15.64 O ATOM 0 H GLY A 357 -31.813 -1.024 -4.747 1.00 15.18 H new ATOM 0 HA2 GLY A 357 -32.118 -3.906 -4.249 1.00 15.65 H new ATOM 0 HA3 GLY A 357 -30.869 -2.839 -3.638 1.00 15.65 H new ATOM 645 N ASN A 358 -34.008 -3.075 -2.646 1.00 16.44 N ATOM 646 CA ASN A 358 -34.943 -2.852 -1.543 1.00 16.86 C ATOM 647 C ASN A 358 -34.392 -3.415 -0.241 1.00 17.18 C ATOM 648 O ASN A 358 -34.265 -4.631 -0.075 1.00 17.48 O ATOM 649 CB ASN A 358 -36.312 -3.466 -1.857 1.00 17.22 C ATOM 650 CG ASN A 358 -37.010 -2.782 -3.021 1.00 17.53 C ATOM 651 OD1 ASN A 358 -36.369 -2.271 -3.943 1.00 17.56 O ATOM 652 ND2 ASN A 358 -38.334 -2.763 -2.987 1.00 17.90 N ATOM 0 H ASN A 358 -34.423 -3.541 -3.453 1.00 16.44 H new ATOM 0 HA ASN A 358 -35.069 -1.776 -1.423 1.00 16.86 H new ATOM 0 HB2 ASN A 358 -36.187 -4.524 -2.085 1.00 17.22 H new ATOM 0 HB3 ASN A 358 -36.945 -3.403 -0.972 1.00 17.22 H new ATOM 0 HD21 ASN A 358 -38.857 -2.315 -3.740 1.00 17.90 H new ATOM 0 HD22 ASN A 358 -38.830 -3.196 -2.208 1.00 17.90 H new ATOM 659 N MET A 359 -34.076 -2.521 0.679 1.00 17.25 N ATOM 660 CA MET A 359 -33.384 -2.886 1.900 1.00 17.69 C ATOM 661 C MET A 359 -34.364 -3.076 3.047 1.00 18.15 C ATOM 662 O MET A 359 -35.178 -2.198 3.342 1.00 18.48 O ATOM 663 CB MET A 359 -32.355 -1.809 2.253 1.00 17.88 C ATOM 664 CG MET A 359 -31.488 -2.153 3.454 1.00 17.66 C ATOM 665 SD MET A 359 -30.513 -3.652 3.209 1.00 17.52 S ATOM 666 CE MET A 359 -29.555 -3.203 1.762 1.00 17.09 C ATOM 0 H MET A 359 -34.291 -1.527 0.601 1.00 17.25 H new ATOM 0 HA MET A 359 -32.871 -3.834 1.737 1.00 17.69 H new ATOM 0 HB2 MET A 359 -31.711 -1.639 1.390 1.00 17.88 H new ATOM 0 HB3 MET A 359 -32.877 -0.873 2.451 1.00 17.88 H new ATOM 0 HG2 MET A 359 -30.817 -1.319 3.663 1.00 17.66 H new ATOM 0 HG3 MET A 359 -32.123 -2.278 4.331 1.00 17.66 H new ATOM 0 HE1 MET A 359 -28.696 -3.868 1.673 1.00 17.09 H new ATOM 0 HE2 MET A 359 -30.177 -3.293 0.872 1.00 17.09 H new ATOM 0 HE3 MET A 359 -29.208 -2.174 1.860 1.00 17.09 H new ATOM 676 N GLN A 360 -34.297 -4.239 3.674 1.00 18.31 N ATOM 677 CA GLN A 360 -35.133 -4.538 4.823 1.00 18.89 C ATOM 678 C GLN A 360 -34.574 -3.872 6.075 1.00 19.30 C ATOM 679 O GLN A 360 -33.527 -4.328 6.581 1.00 19.39 O ATOM 680 CB GLN A 360 -35.242 -6.050 5.030 1.00 19.26 C ATOM 681 CG GLN A 360 -35.934 -6.776 3.888 1.00 19.39 C ATOM 682 CD GLN A 360 -35.998 -8.274 4.105 1.00 19.60 C ATOM 683 OE1 GLN A 360 -35.094 -9.013 3.713 1.00 19.85 O ATOM 684 NE2 GLN A 360 -37.074 -8.735 4.719 1.00 19.63 N ATOM 685 OXT GLN A 360 -35.181 -2.889 6.548 1.00 19.65 O ATOM 0 H GLN A 360 -33.668 -4.995 3.404 1.00 18.31 H new ATOM 0 HA GLN A 360 -36.131 -4.142 4.634 1.00 18.89 H new ATOM 0 HB2 GLN A 360 -34.241 -6.463 5.158 1.00 19.26 H new ATOM 0 HB3 GLN A 360 -35.787 -6.243 5.954 1.00 19.26 H new ATOM 0 HG2 GLN A 360 -36.945 -6.385 3.774 1.00 19.39 H new ATOM 0 HG3 GLN A 360 -35.405 -6.569 2.957 1.00 19.39 H new ATOM 0 HE21 GLN A 360 -37.801 -8.089 5.028 1.00 19.63 H new ATOM 0 HE22 GLN A 360 -37.178 -9.736 4.883 1.00 19.63 H new TER 694 GLN A 360