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 Set 1.1: A 353 ASN : amide:sc= 2.56 K(o=3.4,f=-9.1!) USER MOD Set 1.2: A 356 GLN : amide:sc= 0.83 K(o=3.4,f=1.7) USER MOD Single : A 311 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 312 ASN : amide:sc=-5.91e-05 X(o=-5.9e-05,f=0) USER MOD Single : A 317 SER OG : rot 180:sc= 0 USER MOD Single : A 319 ASN : amide:sc= -0.725 K(o=-0.72,f=-6.7!) USER MOD Single : A 322 MET CE :methyl -107:sc= -0.449 (180deg=-3.78!) USER MOD Single : A 323 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 327 GLN :FLIP amide:sc= -0.134 F(o=-0.8,f=-0.13) USER MOD Single : A 331 GLN :FLIP amide:sc= -0.0363 F(o=-1.3!,f=-0.036) 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 -136:sc= -0.0659 (180deg=-1.7) USER MOD Single : A 337 MET CE :methyl 180:sc= 0 (180deg=0) 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 :FLIP amide:sc= -0.021 F(o=-1.3!,f=-0.021) USER MOD Single : A 344 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 345 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 346 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 347 SER OG : rot -95:sc= 1.27 USER MOD Single : A 350 SER OG : rot 180:sc= 0 USER MOD Single : A 352 ASN :FLIP amide:sc= -0.0164 F(o=-1.4!,f=-0.016) USER MOD Single : A 354 GLN :FLIP amide:sc= -0.122 F(o=-0.92,f=-0.12) USER MOD Single : A 355 ASN : amide:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 358 ASN :FLIP amide:sc= 0 F(o=-0.86,f=0) USER MOD Single : A 359 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 360 GLN : amide:sc= -0.227 X(o=-0.23,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 311 16.134 -3.888 9.404 1.00 17.40 N ATOM 2 CA MET A 311 15.833 -4.880 8.344 1.00 17.36 C ATOM 3 C MET A 311 16.557 -4.510 7.050 1.00 16.99 C ATOM 4 O MET A 311 15.983 -4.590 5.962 1.00 17.05 O ATOM 5 CB MET A 311 14.323 -4.953 8.069 1.00 17.89 C ATOM 6 CG MET A 311 13.475 -5.350 9.267 1.00 18.43 C ATOM 7 SD MET A 311 13.263 -4.003 10.447 1.00 18.82 S ATOM 8 CE MET A 311 12.150 -4.765 11.624 1.00 19.56 C ATOM 0 HA MET A 311 16.178 -5.853 8.694 1.00 17.36 H new ATOM 0 HB2 MET A 311 13.986 -3.981 7.709 1.00 17.89 H new ATOM 0 HB3 MET A 311 14.149 -5.668 7.265 1.00 17.89 H new ATOM 0 HG2 MET A 311 12.496 -5.681 8.920 1.00 18.43 H new ATOM 0 HG3 MET A 311 13.939 -6.199 9.770 1.00 18.43 H new ATOM 0 HE1 MET A 311 11.921 -4.056 12.420 1.00 19.56 H new ATOM 0 HE2 MET A 311 11.228 -5.053 11.119 1.00 19.56 H new ATOM 0 HE3 MET A 311 12.622 -5.650 12.051 1.00 19.56 H new ATOM 20 N ASN A 312 17.809 -4.087 7.162 1.00 16.75 N ATOM 21 CA ASN A 312 18.601 -3.721 5.995 1.00 16.58 C ATOM 22 C ASN A 312 20.059 -4.092 6.209 1.00 16.05 C ATOM 23 O ASN A 312 20.610 -3.886 7.289 1.00 15.92 O ATOM 24 CB ASN A 312 18.473 -2.220 5.673 1.00 16.82 C ATOM 25 CG ASN A 312 18.885 -1.315 6.823 1.00 16.95 C ATOM 26 OD1 ASN A 312 18.064 -0.955 7.667 1.00 17.07 O ATOM 27 ND2 ASN A 312 20.151 -0.922 6.855 1.00 17.09 N ATOM 0 H ASN A 312 18.299 -3.989 8.051 1.00 16.75 H new ATOM 0 HA ASN A 312 18.214 -4.279 5.142 1.00 16.58 H new ATOM 0 HB2 ASN A 312 19.087 -1.990 4.802 1.00 16.82 H new ATOM 0 HB3 ASN A 312 17.440 -2.002 5.402 1.00 16.82 H new ATOM 0 HD21 ASN A 312 20.473 -0.300 7.597 1.00 17.09 H new ATOM 0 HD22 ASN A 312 20.802 -1.241 6.138 1.00 17.09 H new ATOM 34 N PHE A 313 20.664 -4.663 5.179 1.00 15.90 N ATOM 35 CA PHE A 313 22.057 -5.075 5.226 1.00 15.59 C ATOM 36 C PHE A 313 22.589 -5.232 3.810 1.00 14.78 C ATOM 37 O PHE A 313 21.827 -5.145 2.846 1.00 14.72 O ATOM 38 CB PHE A 313 22.212 -6.391 6.004 1.00 16.04 C ATOM 39 CG PHE A 313 21.379 -7.528 5.473 1.00 16.54 C ATOM 40 CD1 PHE A 313 20.089 -7.734 5.936 1.00 17.11 C ATOM 41 CD2 PHE A 313 21.887 -8.392 4.517 1.00 16.60 C ATOM 42 CE1 PHE A 313 19.321 -8.778 5.456 1.00 17.71 C ATOM 43 CE2 PHE A 313 21.124 -9.437 4.032 1.00 17.21 C ATOM 44 CZ PHE A 313 19.839 -9.630 4.500 1.00 17.76 C ATOM 0 H PHE A 313 20.204 -4.853 4.289 1.00 15.90 H new ATOM 0 HA PHE A 313 22.633 -4.308 5.744 1.00 15.59 H new ATOM 0 HB2 PHE A 313 23.261 -6.687 5.989 1.00 16.04 H new ATOM 0 HB3 PHE A 313 21.945 -6.217 7.046 1.00 16.04 H new ATOM 0 HD1 PHE A 313 19.678 -7.070 6.682 1.00 17.11 H new ATOM 0 HD2 PHE A 313 22.891 -8.247 4.146 1.00 16.60 H new ATOM 0 HE1 PHE A 313 18.318 -8.927 5.828 1.00 17.71 H new ATOM 0 HE2 PHE A 313 21.533 -10.103 3.287 1.00 17.21 H new ATOM 0 HZ PHE A 313 19.241 -10.445 4.120 1.00 17.76 H new ATOM 54 N GLY A 314 23.887 -5.457 3.683 1.00 14.30 N ATOM 55 CA GLY A 314 24.480 -5.653 2.374 1.00 13.66 C ATOM 56 C GLY A 314 25.347 -4.489 1.958 1.00 13.23 C ATOM 57 O GLY A 314 26.358 -4.667 1.276 1.00 13.59 O ATOM 0 H GLY A 314 24.543 -5.508 4.463 1.00 14.30 H new ATOM 0 HA2 GLY A 314 25.078 -6.564 2.381 1.00 13.66 H new ATOM 0 HA3 GLY A 314 23.690 -5.796 1.637 1.00 13.66 H new ATOM 61 N ALA A 315 24.948 -3.297 2.367 1.00 12.65 N ATOM 62 CA ALA A 315 25.701 -2.089 2.082 1.00 12.37 C ATOM 63 C ALA A 315 25.776 -1.226 3.330 1.00 11.49 C ATOM 64 O ALA A 315 25.343 -1.651 4.403 1.00 11.05 O ATOM 65 CB ALA A 315 25.061 -1.321 0.933 1.00 12.55 C ATOM 0 H ALA A 315 24.095 -3.140 2.904 1.00 12.65 H new ATOM 0 HA ALA A 315 26.713 -2.362 1.782 1.00 12.37 H new ATOM 0 HB1 ALA A 315 25.638 -0.418 0.733 1.00 12.55 H new ATOM 0 HB2 ALA A 315 25.045 -1.947 0.041 1.00 12.55 H new ATOM 0 HB3 ALA A 315 24.041 -1.047 1.202 1.00 12.55 H new ATOM 71 N PHE A 316 26.318 -0.028 3.202 1.00 11.43 N ATOM 72 CA PHE A 316 26.434 0.869 4.343 1.00 10.85 C ATOM 73 C PHE A 316 25.085 1.507 4.670 1.00 10.07 C ATOM 74 O PHE A 316 24.338 1.006 5.515 1.00 9.85 O ATOM 75 CB PHE A 316 27.485 1.950 4.078 1.00 11.20 C ATOM 76 CG PHE A 316 28.857 1.401 3.810 1.00 11.56 C ATOM 77 CD1 PHE A 316 29.600 0.828 4.828 1.00 11.89 C ATOM 78 CD2 PHE A 316 29.402 1.459 2.537 1.00 11.80 C ATOM 79 CE1 PHE A 316 30.860 0.319 4.581 1.00 12.42 C ATOM 80 CE2 PHE A 316 30.662 0.951 2.285 1.00 12.36 C ATOM 81 CZ PHE A 316 31.397 0.387 3.320 1.00 12.67 C ATOM 0 H PHE A 316 26.683 0.347 2.326 1.00 11.43 H new ATOM 0 HA PHE A 316 26.754 0.281 5.203 1.00 10.85 H new ATOM 0 HB2 PHE A 316 27.170 2.550 3.224 1.00 11.20 H new ATOM 0 HB3 PHE A 316 27.532 2.618 4.938 1.00 11.20 H new ATOM 0 HD1 PHE A 316 29.190 0.778 5.826 1.00 11.89 H new ATOM 0 HD2 PHE A 316 28.836 1.906 1.733 1.00 11.80 H new ATOM 0 HE1 PHE A 316 31.424 -0.134 5.383 1.00 12.42 H new ATOM 0 HE2 PHE A 316 31.074 0.992 1.287 1.00 12.36 H new ATOM 0 HZ PHE A 316 32.389 0.003 3.133 1.00 12.67 H new ATOM 91 N SER A 317 24.765 2.599 3.986 1.00 9.87 N ATOM 92 CA SER A 317 23.503 3.294 4.209 1.00 9.34 C ATOM 93 C SER A 317 22.689 3.378 2.921 1.00 8.25 C ATOM 94 O SER A 317 21.459 3.422 2.955 1.00 8.10 O ATOM 95 CB SER A 317 23.770 4.694 4.755 1.00 9.90 C ATOM 96 OG SER A 317 24.576 4.635 5.922 1.00 10.38 O ATOM 0 H SER A 317 25.360 3.022 3.274 1.00 9.87 H new ATOM 0 HA SER A 317 22.924 2.728 4.939 1.00 9.34 H new ATOM 0 HB2 SER A 317 24.267 5.297 3.995 1.00 9.90 H new ATOM 0 HB3 SER A 317 22.825 5.186 4.985 1.00 9.90 H new ATOM 0 HG SER A 317 24.737 5.543 6.255 1.00 10.38 H new ATOM 102 N ILE A 318 23.382 3.399 1.790 1.00 7.73 N ATOM 103 CA ILE A 318 22.721 3.452 0.496 1.00 6.82 C ATOM 104 C ILE A 318 22.450 2.034 0.012 1.00 6.18 C ATOM 105 O ILE A 318 23.363 1.333 -0.430 1.00 6.36 O ATOM 106 CB ILE A 318 23.557 4.219 -0.564 1.00 6.89 C ATOM 107 CG1 ILE A 318 23.854 5.659 -0.111 1.00 7.43 C ATOM 108 CG2 ILE A 318 22.828 4.241 -1.899 1.00 7.27 C ATOM 109 CD1 ILE A 318 24.978 5.780 0.900 1.00 7.71 C ATOM 0 H ILE A 318 24.401 3.380 1.744 1.00 7.73 H new ATOM 0 HA ILE A 318 21.785 3.996 0.623 1.00 6.82 H new ATOM 0 HB ILE A 318 24.505 3.694 -0.679 1.00 6.89 H new ATOM 0 HG12 ILE A 318 24.104 6.258 -0.987 1.00 7.43 H new ATOM 0 HG13 ILE A 318 22.948 6.086 0.319 1.00 7.43 H new ATOM 0 HG21 ILE A 318 23.427 4.782 -2.632 1.00 7.27 H new ATOM 0 HG22 ILE A 318 22.669 3.219 -2.244 1.00 7.27 H new ATOM 0 HG23 ILE A 318 21.865 4.737 -1.780 1.00 7.27 H new ATOM 0 HD11 ILE A 318 25.119 6.828 1.163 1.00 7.71 H new ATOM 0 HD12 ILE A 318 24.725 5.212 1.795 1.00 7.71 H new ATOM 0 HD13 ILE A 318 25.899 5.387 0.469 1.00 7.71 H new ATOM 121 N ASN A 319 21.197 1.609 0.116 1.00 5.79 N ATOM 122 CA ASN A 319 20.826 0.228 -0.192 1.00 5.44 C ATOM 123 C ASN A 319 19.719 0.181 -1.254 1.00 4.60 C ATOM 124 O ASN A 319 18.614 -0.286 -0.978 1.00 4.37 O ATOM 125 CB ASN A 319 20.339 -0.494 1.079 1.00 6.14 C ATOM 126 CG ASN A 319 21.399 -0.650 2.162 1.00 6.86 C ATOM 127 OD1 ASN A 319 22.323 0.149 2.283 1.00 7.02 O ATOM 128 ND2 ASN A 319 21.264 -1.691 2.967 1.00 7.58 N ATOM 0 H ASN A 319 20.419 2.198 0.411 1.00 5.79 H new ATOM 0 HA ASN A 319 21.712 -0.275 -0.580 1.00 5.44 H new ATOM 0 HB2 ASN A 319 19.493 0.056 1.492 1.00 6.14 H new ATOM 0 HB3 ASN A 319 19.972 -1.482 0.802 1.00 6.14 H new ATOM 0 HD21 ASN A 319 21.939 -1.848 3.715 1.00 7.58 H new ATOM 0 HD22 ASN A 319 20.485 -2.336 2.840 1.00 7.58 H new ATOM 135 N PRO A 320 20.000 0.640 -2.487 1.00 4.45 N ATOM 136 CA PRO A 320 18.981 0.742 -3.540 1.00 4.02 C ATOM 137 C PRO A 320 18.411 -0.619 -3.945 1.00 3.55 C ATOM 138 O PRO A 320 17.195 -0.815 -3.937 1.00 3.28 O ATOM 139 CB PRO A 320 19.723 1.388 -4.715 1.00 4.60 C ATOM 140 CG PRO A 320 21.172 1.151 -4.448 1.00 5.20 C ATOM 141 CD PRO A 320 21.323 1.082 -2.955 1.00 5.13 C ATOM 0 HA PRO A 320 18.119 1.317 -3.203 1.00 4.02 H new ATOM 0 HB2 PRO A 320 19.420 0.943 -5.663 1.00 4.60 H new ATOM 0 HB3 PRO A 320 19.505 2.454 -4.779 1.00 4.60 H new ATOM 0 HG2 PRO A 320 21.506 0.225 -4.915 1.00 5.20 H new ATOM 0 HG3 PRO A 320 21.780 1.955 -4.863 1.00 5.20 H new ATOM 0 HD2 PRO A 320 22.105 0.380 -2.664 1.00 5.13 H new ATOM 0 HD3 PRO A 320 21.592 2.051 -2.535 1.00 5.13 H new ATOM 149 N ALA A 321 19.292 -1.563 -4.270 1.00 3.54 N ATOM 150 CA ALA A 321 18.867 -2.890 -4.703 1.00 3.23 C ATOM 151 C ALA A 321 18.217 -3.648 -3.554 1.00 2.87 C ATOM 152 O ALA A 321 17.316 -4.461 -3.761 1.00 2.56 O ATOM 153 CB ALA A 321 20.048 -3.673 -5.254 1.00 3.49 C ATOM 0 H ALA A 321 20.303 -1.433 -4.241 1.00 3.54 H new ATOM 0 HA ALA A 321 18.129 -2.771 -5.496 1.00 3.23 H new ATOM 0 HB1 ALA A 321 19.713 -4.660 -5.572 1.00 3.49 H new ATOM 0 HB2 ALA A 321 20.471 -3.141 -6.106 1.00 3.49 H new ATOM 0 HB3 ALA A 321 20.807 -3.780 -4.479 1.00 3.49 H new ATOM 159 N MET A 322 18.670 -3.367 -2.340 1.00 3.00 N ATOM 160 CA MET A 322 18.118 -4.008 -1.156 1.00 2.79 C ATOM 161 C MET A 322 16.677 -3.563 -0.934 1.00 2.47 C ATOM 162 O MET A 322 15.828 -4.361 -0.543 1.00 2.15 O ATOM 163 CB MET A 322 18.969 -3.699 0.076 1.00 3.15 C ATOM 164 CG MET A 322 20.421 -4.124 -0.066 1.00 3.58 C ATOM 165 SD MET A 322 20.603 -5.880 -0.434 1.00 4.04 S ATOM 166 CE MET A 322 22.375 -5.988 -0.671 1.00 5.05 C ATOM 0 H MET A 322 19.418 -2.700 -2.150 1.00 3.00 H new ATOM 0 HA MET A 322 18.129 -5.086 -1.315 1.00 2.79 H new ATOM 0 HB2 MET A 322 18.930 -2.628 0.275 1.00 3.15 H new ATOM 0 HB3 MET A 322 18.535 -4.200 0.942 1.00 3.15 H new ATOM 0 HG2 MET A 322 20.889 -3.541 -0.859 1.00 3.58 H new ATOM 0 HG3 MET A 322 20.954 -3.894 0.856 1.00 3.58 H new ATOM 0 HE1 MET A 322 22.593 -6.116 -1.731 1.00 5.05 H new ATOM 0 HE2 MET A 322 22.847 -5.074 -0.311 1.00 5.05 H new ATOM 0 HE3 MET A 322 22.765 -6.841 -0.115 1.00 5.05 H new ATOM 176 N MET A 323 16.403 -2.286 -1.204 1.00 2.62 N ATOM 177 CA MET A 323 15.046 -1.751 -1.105 1.00 2.46 C ATOM 178 C MET A 323 14.143 -2.392 -2.152 1.00 2.10 C ATOM 179 O MET A 323 12.971 -2.659 -1.896 1.00 1.85 O ATOM 180 CB MET A 323 15.043 -0.229 -1.288 1.00 2.84 C ATOM 181 CG MET A 323 15.707 0.531 -0.154 1.00 3.05 C ATOM 182 SD MET A 323 15.647 2.319 -0.400 1.00 3.43 S ATOM 183 CE MET A 323 16.506 2.890 1.065 1.00 3.62 C ATOM 0 H MET A 323 17.104 -1.603 -1.493 1.00 2.62 H new ATOM 0 HA MET A 323 14.666 -1.986 -0.111 1.00 2.46 H new ATOM 0 HB2 MET A 323 15.550 0.015 -2.221 1.00 2.84 H new ATOM 0 HB3 MET A 323 14.013 0.113 -1.386 1.00 2.84 H new ATOM 0 HG2 MET A 323 15.216 0.279 0.786 1.00 3.05 H new ATOM 0 HG3 MET A 323 16.746 0.213 -0.066 1.00 3.05 H new ATOM 0 HE1 MET A 323 16.551 3.979 1.059 1.00 3.62 H new ATOM 0 HE2 MET A 323 15.972 2.554 1.954 1.00 3.62 H new ATOM 0 HE3 MET A 323 17.518 2.485 1.075 1.00 3.62 H new ATOM 193 N ALA A 324 14.708 -2.644 -3.325 1.00 2.17 N ATOM 194 CA ALA A 324 13.969 -3.256 -4.423 1.00 1.99 C ATOM 195 C ALA A 324 13.619 -4.703 -4.099 1.00 1.65 C ATOM 196 O ALA A 324 12.489 -5.143 -4.312 1.00 1.44 O ATOM 197 CB ALA A 324 14.774 -3.182 -5.713 1.00 2.32 C ATOM 0 H ALA A 324 15.682 -2.433 -3.542 1.00 2.17 H new ATOM 0 HA ALA A 324 13.041 -2.701 -4.559 1.00 1.99 H new ATOM 0 HB1 ALA A 324 14.208 -3.643 -6.522 1.00 2.32 H new ATOM 0 HB2 ALA A 324 14.973 -2.139 -5.958 1.00 2.32 H new ATOM 0 HB3 ALA A 324 15.718 -3.711 -5.583 1.00 2.32 H new ATOM 203 N ALA A 325 14.595 -5.436 -3.570 1.00 1.69 N ATOM 204 CA ALA A 325 14.379 -6.813 -3.152 1.00 1.53 C ATOM 205 C ALA A 325 13.388 -6.861 -1.996 1.00 1.28 C ATOM 206 O ALA A 325 12.565 -7.772 -1.901 1.00 1.15 O ATOM 207 CB ALA A 325 15.698 -7.463 -2.755 1.00 1.81 C ATOM 0 H ALA A 325 15.545 -5.096 -3.421 1.00 1.69 H new ATOM 0 HA ALA A 325 13.962 -7.372 -3.990 1.00 1.53 H new ATOM 0 HB1 ALA A 325 15.518 -8.492 -2.445 1.00 1.81 H new ATOM 0 HB2 ALA A 325 16.379 -7.454 -3.606 1.00 1.81 H new ATOM 0 HB3 ALA A 325 16.143 -6.908 -1.929 1.00 1.81 H new ATOM 213 N ALA A 326 13.467 -5.859 -1.126 1.00 1.36 N ATOM 214 CA ALA A 326 12.559 -5.733 -0.010 1.00 1.30 C ATOM 215 C ALA A 326 11.154 -5.491 -0.522 1.00 1.05 C ATOM 216 O ALA A 326 10.224 -6.167 -0.115 1.00 0.93 O ATOM 217 CB ALA A 326 13.000 -4.595 0.895 1.00 1.68 C ATOM 0 H ALA A 326 14.164 -5.117 -1.182 1.00 1.36 H new ATOM 0 HA ALA A 326 12.569 -6.656 0.569 1.00 1.30 H new ATOM 0 HB1 ALA A 326 12.309 -4.508 1.733 1.00 1.68 H new ATOM 0 HB2 ALA A 326 14.003 -4.797 1.271 1.00 1.68 H new ATOM 0 HB3 ALA A 326 13.005 -3.662 0.331 1.00 1.68 H new ATOM 223 N GLN A 327 11.022 -4.543 -1.440 1.00 1.11 N ATOM 224 CA GLN A 327 9.731 -4.199 -2.022 1.00 1.11 C ATOM 225 C GLN A 327 9.062 -5.412 -2.629 1.00 0.86 C ATOM 226 O GLN A 327 7.896 -5.699 -2.359 1.00 0.84 O ATOM 227 CB GLN A 327 9.917 -3.220 -3.160 1.00 1.38 C ATOM 228 CG GLN A 327 9.103 -1.938 -3.037 1.00 1.63 C ATOM 229 CD GLN A 327 7.621 -2.184 -2.849 1.00 1.81 C ATOM 230 OE1 GLN A 327 7.183 -2.210 -1.601 1.00 2.56 O flip ATOM 231 NE2 GLN A 327 6.872 -2.321 -3.818 1.00 1.90 N flip ATOM 0 H GLN A 327 11.802 -3.993 -1.801 1.00 1.11 H new ATOM 0 HA GLN A 327 9.126 -3.782 -1.217 1.00 1.11 H new ATOM 0 HB2 GLN A 327 10.973 -2.959 -3.227 1.00 1.38 H new ATOM 0 HB3 GLN A 327 9.651 -3.715 -4.094 1.00 1.38 H new ATOM 0 HG2 GLN A 327 9.478 -1.358 -2.194 1.00 1.63 H new ATOM 0 HG3 GLN A 327 9.253 -1.334 -3.932 1.00 1.63 H new ATOM 0 HE21 GLN A 327 7.252 -2.294 -4.764 1.00 1.90 H new ATOM 0 HE22 GLN A 327 5.872 -2.461 -3.674 1.00 1.90 H new ATOM 240 N ALA A 328 9.822 -6.120 -3.456 1.00 0.82 N ATOM 241 CA ALA A 328 9.306 -7.268 -4.174 1.00 0.84 C ATOM 242 C ALA A 328 8.809 -8.307 -3.214 1.00 0.70 C ATOM 243 O ALA A 328 7.725 -8.866 -3.378 1.00 0.80 O ATOM 244 CB ALA A 328 10.378 -7.901 -5.033 1.00 0.98 C ATOM 0 H ALA A 328 10.803 -5.914 -3.643 1.00 0.82 H new ATOM 0 HA ALA A 328 8.491 -6.913 -4.805 1.00 0.84 H new ATOM 0 HB1 ALA A 328 9.962 -8.760 -5.560 1.00 0.98 H new ATOM 0 HB2 ALA A 328 10.741 -7.172 -5.757 1.00 0.98 H new ATOM 0 HB3 ALA A 328 11.204 -8.228 -4.402 1.00 0.98 H new ATOM 250 N ALA A 329 9.619 -8.566 -2.212 1.00 0.61 N ATOM 251 CA ALA A 329 9.352 -9.661 -1.335 1.00 0.69 C ATOM 252 C ALA A 329 8.313 -9.285 -0.286 1.00 0.55 C ATOM 253 O ALA A 329 7.392 -10.045 0.012 1.00 0.63 O ATOM 254 CB ALA A 329 10.630 -10.168 -0.684 1.00 0.92 C ATOM 0 H ALA A 329 10.460 -8.032 -1.993 1.00 0.61 H new ATOM 0 HA ALA A 329 8.940 -10.473 -1.935 1.00 0.69 H new ATOM 0 HB1 ALA A 329 10.395 -11.001 -0.022 1.00 0.92 H new ATOM 0 HB2 ALA A 329 11.324 -10.502 -1.456 1.00 0.92 H new ATOM 0 HB3 ALA A 329 11.088 -9.364 -0.107 1.00 0.92 H new ATOM 260 N LEU A 330 8.477 -8.092 0.261 1.00 0.46 N ATOM 261 CA LEU A 330 7.573 -7.539 1.259 1.00 0.45 C ATOM 262 C LEU A 330 6.227 -7.163 0.644 1.00 0.41 C ATOM 263 O LEU A 330 5.302 -6.778 1.360 1.00 0.46 O ATOM 264 CB LEU A 330 8.215 -6.317 1.932 1.00 0.59 C ATOM 265 CG LEU A 330 9.114 -6.626 3.131 1.00 0.93 C ATOM 266 CD1 LEU A 330 9.767 -5.356 3.649 1.00 1.52 C ATOM 267 CD2 LEU A 330 8.318 -7.301 4.238 1.00 1.59 C ATOM 0 H LEU A 330 9.251 -7.472 0.022 1.00 0.46 H new ATOM 0 HA LEU A 330 7.391 -8.306 2.012 1.00 0.45 H new ATOM 0 HB2 LEU A 330 8.803 -5.780 1.187 1.00 0.59 H new ATOM 0 HB3 LEU A 330 7.422 -5.644 2.258 1.00 0.59 H new ATOM 0 HG LEU A 330 9.897 -7.310 2.803 1.00 0.93 H new ATOM 0 HD11 LEU A 330 10.403 -5.595 4.502 1.00 1.52 H new ATOM 0 HD12 LEU A 330 10.372 -4.910 2.860 1.00 1.52 H new ATOM 0 HD13 LEU A 330 8.996 -4.650 3.958 1.00 1.52 H new ATOM 0 HD21 LEU A 330 8.975 -7.513 5.082 1.00 1.59 H new ATOM 0 HD22 LEU A 330 7.513 -6.641 4.562 1.00 1.59 H new ATOM 0 HD23 LEU A 330 7.895 -8.234 3.865 1.00 1.59 H new ATOM 279 N GLN A 331 6.140 -7.255 -0.683 1.00 0.46 N ATOM 280 CA GLN A 331 4.949 -6.864 -1.432 1.00 0.59 C ATOM 281 C GLN A 331 3.670 -7.488 -0.858 1.00 0.59 C ATOM 282 O GLN A 331 2.594 -6.898 -0.945 1.00 0.70 O ATOM 283 CB GLN A 331 5.103 -7.270 -2.901 1.00 0.77 C ATOM 284 CG GLN A 331 3.998 -6.747 -3.809 1.00 1.46 C ATOM 285 CD GLN A 331 4.100 -7.261 -5.234 1.00 1.83 C ATOM 286 OE1 GLN A 331 4.604 -8.474 -5.390 1.00 2.27 O flip ATOM 287 NE2 GLN A 331 3.722 -6.575 -6.186 1.00 2.41 N flip ATOM 0 H GLN A 331 6.898 -7.604 -1.270 1.00 0.46 H new ATOM 0 HA GLN A 331 4.854 -5.781 -1.349 1.00 0.59 H new ATOM 0 HB2 GLN A 331 6.063 -6.907 -3.269 1.00 0.77 H new ATOM 0 HB3 GLN A 331 5.127 -8.358 -2.966 1.00 0.77 H new ATOM 0 HG2 GLN A 331 3.031 -7.033 -3.395 1.00 1.46 H new ATOM 0 HG3 GLN A 331 4.031 -5.658 -3.820 1.00 1.46 H new ATOM 0 HE21 GLN A 331 3.339 -5.644 -6.023 1.00 2.41 H new ATOM 0 HE22 GLN A 331 3.792 -6.939 -7.136 1.00 2.41 H new ATOM 296 N SER A 332 3.795 -8.668 -0.261 1.00 0.53 N ATOM 297 CA SER A 332 2.653 -9.347 0.337 1.00 0.59 C ATOM 298 C SER A 332 2.040 -8.522 1.468 1.00 0.58 C ATOM 299 O SER A 332 0.834 -8.305 1.503 1.00 0.67 O ATOM 300 CB SER A 332 3.079 -10.718 0.860 1.00 0.63 C ATOM 301 OG SER A 332 3.709 -11.467 -0.164 1.00 1.46 O ATOM 0 H SER A 332 4.677 -9.174 -0.179 1.00 0.53 H new ATOM 0 HA SER A 332 1.893 -9.472 -0.435 1.00 0.59 H new ATOM 0 HB2 SER A 332 3.761 -10.597 1.702 1.00 0.63 H new ATOM 0 HB3 SER A 332 2.208 -11.259 1.231 1.00 0.63 H new ATOM 0 HG SER A 332 3.977 -12.341 0.188 1.00 1.46 H new ATOM 307 N SER A 333 2.879 -8.040 2.373 1.00 0.54 N ATOM 308 CA SER A 333 2.402 -7.312 3.539 1.00 0.62 C ATOM 309 C SER A 333 2.377 -5.806 3.279 1.00 0.65 C ATOM 310 O SER A 333 1.389 -5.132 3.568 1.00 0.70 O ATOM 311 CB SER A 333 3.283 -7.631 4.749 1.00 0.74 C ATOM 312 OG SER A 333 2.859 -6.921 5.903 1.00 1.39 O ATOM 0 H SER A 333 3.893 -8.140 2.322 1.00 0.54 H new ATOM 0 HA SER A 333 1.381 -7.630 3.747 1.00 0.62 H new ATOM 0 HB2 SER A 333 3.255 -8.702 4.949 1.00 0.74 H new ATOM 0 HB3 SER A 333 4.319 -7.376 4.524 1.00 0.74 H new ATOM 0 HG SER A 333 3.441 -7.148 6.659 1.00 1.39 H new ATOM 318 N TRP A 334 3.455 -5.282 2.714 1.00 0.67 N ATOM 319 CA TRP A 334 3.602 -3.844 2.548 1.00 0.77 C ATOM 320 C TRP A 334 2.957 -3.378 1.247 1.00 0.76 C ATOM 321 O TRP A 334 2.342 -2.314 1.193 1.00 0.83 O ATOM 322 CB TRP A 334 5.088 -3.467 2.582 1.00 0.89 C ATOM 323 CG TRP A 334 5.344 -1.996 2.444 1.00 1.04 C ATOM 324 CD1 TRP A 334 5.902 -1.362 1.373 1.00 1.68 C ATOM 325 CD2 TRP A 334 5.048 -0.974 3.404 1.00 1.63 C ATOM 326 NE1 TRP A 334 5.985 -0.013 1.611 1.00 2.16 N ATOM 327 CE2 TRP A 334 5.462 0.252 2.849 1.00 2.03 C ATOM 328 CE3 TRP A 334 4.477 -0.975 4.681 1.00 2.43 C ATOM 329 CZ2 TRP A 334 5.321 1.461 3.524 1.00 2.72 C ATOM 330 CZ3 TRP A 334 4.334 0.226 5.348 1.00 3.17 C ATOM 331 CH2 TRP A 334 4.755 1.429 4.768 1.00 3.18 C ATOM 0 H TRP A 334 4.240 -5.831 2.363 1.00 0.67 H new ATOM 0 HA TRP A 334 3.091 -3.343 3.370 1.00 0.77 H new ATOM 0 HB2 TRP A 334 5.520 -3.815 3.521 1.00 0.89 H new ATOM 0 HB3 TRP A 334 5.605 -3.993 1.779 1.00 0.89 H new ATOM 0 HD1 TRP A 334 6.231 -1.851 0.468 1.00 1.68 H new ATOM 0 HE1 TRP A 334 6.373 0.680 0.970 1.00 2.16 H new ATOM 0 HE3 TRP A 334 4.154 -1.899 5.137 1.00 2.43 H new ATOM 0 HZ2 TRP A 334 5.647 2.391 3.081 1.00 2.72 H new ATOM 0 HZ3 TRP A 334 3.890 0.237 6.333 1.00 3.17 H new ATOM 0 HH2 TRP A 334 4.630 2.352 5.315 1.00 3.18 H new ATOM 342 N GLY A 335 3.074 -4.193 0.207 1.00 0.74 N ATOM 343 CA GLY A 335 2.463 -3.860 -1.068 1.00 0.83 C ATOM 344 C GLY A 335 0.950 -3.949 -1.014 1.00 0.76 C ATOM 345 O GLY A 335 0.251 -3.234 -1.732 1.00 0.80 O ATOM 0 H GLY A 335 3.580 -5.078 0.222 1.00 0.74 H new ATOM 0 HA2 GLY A 335 2.757 -2.851 -1.358 1.00 0.83 H new ATOM 0 HA3 GLY A 335 2.839 -4.535 -1.837 1.00 0.83 H new ATOM 349 N MET A 336 0.445 -4.821 -0.147 1.00 0.70 N ATOM 350 CA MET A 336 -0.996 -4.999 0.010 1.00 0.70 C ATOM 351 C MET A 336 -1.632 -3.755 0.620 1.00 0.61 C ATOM 352 O MET A 336 -2.819 -3.519 0.439 1.00 0.61 O ATOM 353 CB MET A 336 -1.317 -6.219 0.884 1.00 0.80 C ATOM 354 CG MET A 336 -2.807 -6.543 0.953 1.00 0.93 C ATOM 355 SD MET A 336 -3.195 -7.863 2.121 1.00 1.58 S ATOM 356 CE MET A 336 -2.292 -9.233 1.406 1.00 2.31 C ATOM 0 H MET A 336 1.011 -5.416 0.458 1.00 0.70 H new ATOM 0 HA MET A 336 -1.412 -5.164 -0.984 1.00 0.70 H new ATOM 0 HB2 MET A 336 -0.782 -7.086 0.495 1.00 0.80 H new ATOM 0 HB3 MET A 336 -0.945 -6.041 1.893 1.00 0.80 H new ATOM 0 HG2 MET A 336 -3.355 -5.644 1.236 1.00 0.93 H new ATOM 0 HG3 MET A 336 -3.156 -6.830 -0.039 1.00 0.93 H new ATOM 0 HE1 MET A 336 -2.917 -10.126 1.418 1.00 2.31 H new ATOM 0 HE2 MET A 336 -2.021 -8.993 0.378 1.00 2.31 H new ATOM 0 HE3 MET A 336 -1.387 -9.415 1.986 1.00 2.31 H new ATOM 366 N MET A 337 -0.831 -2.960 1.334 1.00 0.61 N ATOM 367 CA MET A 337 -1.333 -1.754 1.990 1.00 0.62 C ATOM 368 C MET A 337 -2.079 -0.864 0.998 1.00 0.56 C ATOM 369 O MET A 337 -3.201 -0.438 1.260 1.00 0.59 O ATOM 370 CB MET A 337 -0.185 -0.964 2.626 1.00 0.74 C ATOM 371 CG MET A 337 -0.649 0.276 3.373 1.00 1.19 C ATOM 372 SD MET A 337 0.714 1.248 4.041 1.00 2.22 S ATOM 373 CE MET A 337 -0.195 2.535 4.894 1.00 3.15 C ATOM 0 H MET A 337 0.165 -3.131 1.471 1.00 0.61 H new ATOM 0 HA MET A 337 -2.025 -2.067 2.772 1.00 0.62 H new ATOM 0 HB2 MET A 337 0.356 -1.613 3.315 1.00 0.74 H new ATOM 0 HB3 MET A 337 0.518 -0.669 1.848 1.00 0.74 H new ATOM 0 HG2 MET A 337 -1.237 0.900 2.700 1.00 1.19 H new ATOM 0 HG3 MET A 337 -1.308 -0.023 4.188 1.00 1.19 H new ATOM 0 HE1 MET A 337 0.506 3.224 5.365 1.00 3.15 H new ATOM 0 HE2 MET A 337 -0.814 3.078 4.180 1.00 3.15 H new ATOM 0 HE3 MET A 337 -0.831 2.087 5.657 1.00 3.15 H new ATOM 383 N GLY A 338 -1.457 -0.610 -0.147 1.00 0.60 N ATOM 384 CA GLY A 338 -2.074 0.222 -1.164 1.00 0.66 C ATOM 385 C GLY A 338 -3.270 -0.439 -1.803 1.00 0.57 C ATOM 386 O GLY A 338 -4.243 0.231 -2.124 1.00 0.58 O ATOM 0 H GLY A 338 -0.533 -0.967 -0.390 1.00 0.60 H new ATOM 0 HA2 GLY A 338 -2.381 1.168 -0.718 1.00 0.66 H new ATOM 0 HA3 GLY A 338 -1.338 0.456 -1.933 1.00 0.66 H new ATOM 390 N MET A 339 -3.211 -1.756 -1.970 1.00 0.58 N ATOM 391 CA MET A 339 -4.317 -2.497 -2.572 1.00 0.66 C ATOM 392 C MET A 339 -5.509 -2.501 -1.640 1.00 0.54 C ATOM 393 O MET A 339 -6.648 -2.286 -2.056 1.00 0.62 O ATOM 394 CB MET A 339 -3.919 -3.941 -2.841 1.00 0.85 C ATOM 395 CG MET A 339 -2.636 -4.090 -3.642 1.00 1.24 C ATOM 396 SD MET A 339 -2.744 -3.326 -5.272 1.00 2.05 S ATOM 397 CE MET A 339 -1.102 -3.662 -5.904 1.00 2.55 C ATOM 0 H MET A 339 -2.414 -2.331 -1.699 1.00 0.58 H new ATOM 0 HA MET A 339 -4.572 -2.007 -3.512 1.00 0.66 H new ATOM 0 HB2 MET A 339 -3.803 -4.458 -1.889 1.00 0.85 H new ATOM 0 HB3 MET A 339 -4.729 -4.437 -3.376 1.00 0.85 H new ATOM 0 HG2 MET A 339 -1.812 -3.641 -3.088 1.00 1.24 H new ATOM 0 HG3 MET A 339 -2.404 -5.149 -3.756 1.00 1.24 H new ATOM 0 HE1 MET A 339 -1.008 -3.251 -6.909 1.00 2.55 H new ATOM 0 HE2 MET A 339 -0.360 -3.201 -5.252 1.00 2.55 H new ATOM 0 HE3 MET A 339 -0.938 -4.739 -5.935 1.00 2.55 H new ATOM 407 N LEU A 340 -5.224 -2.715 -0.365 1.00 0.46 N ATOM 408 CA LEU A 340 -6.256 -2.803 0.643 1.00 0.58 C ATOM 409 C LEU A 340 -6.920 -1.443 0.824 1.00 0.56 C ATOM 410 O LEU A 340 -8.138 -1.333 0.844 1.00 0.69 O ATOM 411 CB LEU A 340 -5.665 -3.284 1.972 1.00 0.73 C ATOM 412 CG LEU A 340 -6.666 -3.442 3.115 1.00 1.13 C ATOM 413 CD1 LEU A 340 -7.665 -4.548 2.805 1.00 1.60 C ATOM 414 CD2 LEU A 340 -5.934 -3.723 4.418 1.00 1.76 C ATOM 0 H LEU A 340 -4.276 -2.831 -0.007 1.00 0.46 H new ATOM 0 HA LEU A 340 -7.005 -3.524 0.317 1.00 0.58 H new ATOM 0 HB2 LEU A 340 -5.174 -4.243 1.806 1.00 0.73 H new ATOM 0 HB3 LEU A 340 -4.893 -2.580 2.283 1.00 0.73 H new ATOM 0 HG LEU A 340 -7.220 -2.510 3.225 1.00 1.13 H new ATOM 0 HD11 LEU A 340 -8.369 -4.644 3.631 1.00 1.60 H new ATOM 0 HD12 LEU A 340 -8.208 -4.302 1.892 1.00 1.60 H new ATOM 0 HD13 LEU A 340 -7.134 -5.490 2.669 1.00 1.60 H new ATOM 0 HD21 LEU A 340 -6.658 -3.834 5.225 1.00 1.76 H new ATOM 0 HD22 LEU A 340 -5.356 -4.642 4.320 1.00 1.76 H new ATOM 0 HD23 LEU A 340 -5.262 -2.895 4.644 1.00 1.76 H new ATOM 426 N ALA A 341 -6.088 -0.414 0.936 1.00 0.52 N ATOM 427 CA ALA A 341 -6.542 0.964 1.048 1.00 0.69 C ATOM 428 C ALA A 341 -7.254 1.406 -0.222 1.00 0.70 C ATOM 429 O ALA A 341 -8.184 2.215 -0.174 1.00 0.88 O ATOM 430 CB ALA A 341 -5.370 1.886 1.343 1.00 0.82 C ATOM 0 H ALA A 341 -5.073 -0.515 0.952 1.00 0.52 H new ATOM 0 HA ALA A 341 -7.250 1.022 1.874 1.00 0.69 H new ATOM 0 HB1 ALA A 341 -5.726 2.913 1.424 1.00 0.82 H new ATOM 0 HB2 ALA A 341 -4.901 1.590 2.281 1.00 0.82 H new ATOM 0 HB3 ALA A 341 -4.641 1.817 0.536 1.00 0.82 H new ATOM 436 N SER A 342 -6.819 0.874 -1.358 1.00 0.64 N ATOM 437 CA SER A 342 -7.414 1.236 -2.627 1.00 0.84 C ATOM 438 C SER A 342 -8.841 0.710 -2.677 1.00 0.86 C ATOM 439 O SER A 342 -9.764 1.451 -2.991 1.00 1.04 O ATOM 440 CB SER A 342 -6.598 0.671 -3.798 1.00 1.02 C ATOM 441 OG SER A 342 -7.091 1.128 -5.049 1.00 1.61 O ATOM 0 H SER A 342 -6.061 0.195 -1.421 1.00 0.64 H new ATOM 0 HA SER A 342 -7.419 2.322 -2.718 1.00 0.84 H new ATOM 0 HB2 SER A 342 -5.554 0.964 -3.689 1.00 1.02 H new ATOM 0 HB3 SER A 342 -6.628 -0.418 -3.771 1.00 1.02 H new ATOM 0 HG SER A 342 -6.548 0.751 -5.772 1.00 1.61 H new ATOM 447 N GLN A 343 -9.021 -0.557 -2.313 1.00 0.77 N ATOM 448 CA GLN A 343 -10.357 -1.142 -2.219 1.00 0.94 C ATOM 449 C GLN A 343 -11.135 -0.500 -1.074 1.00 1.02 C ATOM 450 O GLN A 343 -12.354 -0.363 -1.137 1.00 1.20 O ATOM 451 CB GLN A 343 -10.282 -2.655 -1.996 1.00 1.05 C ATOM 452 CG GLN A 343 -9.622 -3.419 -3.136 1.00 1.73 C ATOM 453 CD GLN A 343 -9.653 -4.921 -2.921 1.00 2.21 C ATOM 454 OE1 GLN A 343 -10.693 -5.406 -2.257 1.00 2.89 O flip ATOM 455 NE2 GLN A 343 -8.760 -5.644 -3.360 1.00 2.59 N flip ATOM 0 H GLN A 343 -8.262 -1.197 -2.079 1.00 0.77 H new ATOM 0 HA GLN A 343 -10.871 -0.953 -3.162 1.00 0.94 H new ATOM 0 HB2 GLN A 343 -9.731 -2.849 -1.076 1.00 1.05 H new ATOM 0 HB3 GLN A 343 -11.291 -3.041 -1.851 1.00 1.05 H new ATOM 0 HG2 GLN A 343 -10.127 -3.178 -4.071 1.00 1.73 H new ATOM 0 HG3 GLN A 343 -8.588 -3.091 -3.239 1.00 1.73 H new ATOM 0 HE21 GLN A 343 -7.975 -5.235 -3.866 1.00 2.59 H new ATOM 0 HE22 GLN A 343 -8.805 -6.653 -3.218 1.00 2.59 H new ATOM 464 N GLN A 344 -10.409 -0.106 -0.035 1.00 1.01 N ATOM 465 CA GLN A 344 -11.001 0.499 1.152 1.00 1.26 C ATOM 466 C GLN A 344 -11.734 1.793 0.812 1.00 1.63 C ATOM 467 O GLN A 344 -12.927 1.932 1.074 1.00 2.07 O ATOM 468 CB GLN A 344 -9.915 0.782 2.195 1.00 1.72 C ATOM 469 CG GLN A 344 -10.430 1.468 3.450 1.00 1.96 C ATOM 470 CD GLN A 344 -9.321 1.775 4.434 1.00 2.53 C ATOM 471 OE1 GLN A 344 -9.007 0.968 5.309 1.00 3.07 O ATOM 472 NE2 GLN A 344 -8.720 2.946 4.298 1.00 3.10 N ATOM 0 H GLN A 344 -9.394 -0.197 0.009 1.00 1.01 H new ATOM 0 HA GLN A 344 -11.725 -0.207 1.559 1.00 1.26 H new ATOM 0 HB2 GLN A 344 -9.441 -0.158 2.475 1.00 1.72 H new ATOM 0 HB3 GLN A 344 -9.144 1.405 1.742 1.00 1.72 H new ATOM 0 HG2 GLN A 344 -10.934 2.394 3.174 1.00 1.96 H new ATOM 0 HG3 GLN A 344 -11.173 0.831 3.930 1.00 1.96 H new ATOM 0 HE21 GLN A 344 -9.011 3.586 3.559 1.00 3.10 H new ATOM 0 HE22 GLN A 344 -7.966 3.209 4.932 1.00 3.10 H new ATOM 481 N ASN A 345 -11.009 2.734 0.222 1.00 2.06 N ATOM 482 CA ASN A 345 -11.528 4.061 -0.041 1.00 2.81 C ATOM 483 C ASN A 345 -12.082 4.187 -1.462 1.00 3.10 C ATOM 484 O ASN A 345 -13.241 4.547 -1.666 1.00 3.64 O ATOM 485 CB ASN A 345 -10.389 5.050 0.164 1.00 3.55 C ATOM 486 CG ASN A 345 -10.741 6.470 -0.237 1.00 4.38 C ATOM 487 OD1 ASN A 345 -11.871 6.925 -0.056 1.00 4.89 O ATOM 488 ND2 ASN A 345 -9.770 7.171 -0.802 1.00 4.81 N ATOM 0 H ASN A 345 -10.047 2.595 -0.086 1.00 2.06 H new ATOM 0 HA ASN A 345 -12.355 4.265 0.639 1.00 2.81 H new ATOM 0 HB2 ASN A 345 -10.094 5.040 1.213 1.00 3.55 H new ATOM 0 HB3 ASN A 345 -9.525 4.721 -0.413 1.00 3.55 H new ATOM 0 HD21 ASN A 345 -9.943 8.129 -1.107 1.00 4.81 H new ATOM 0 HD22 ASN A 345 -8.849 6.753 -0.932 1.00 4.81 H new ATOM 495 N GLN A 346 -11.240 3.878 -2.435 1.00 3.07 N ATOM 496 CA GLN A 346 -11.559 4.116 -3.839 1.00 3.79 C ATOM 497 C GLN A 346 -12.400 2.989 -4.427 1.00 3.92 C ATOM 498 O GLN A 346 -13.171 3.209 -5.364 1.00 4.60 O ATOM 499 CB GLN A 346 -10.267 4.248 -4.640 1.00 4.24 C ATOM 500 CG GLN A 346 -9.366 5.366 -4.155 1.00 4.90 C ATOM 501 CD GLN A 346 -7.974 5.288 -4.750 1.00 5.50 C ATOM 502 OE1 GLN A 346 -7.077 4.664 -4.179 1.00 6.02 O ATOM 503 NE2 GLN A 346 -7.788 5.903 -5.906 1.00 5.81 N ATOM 0 H GLN A 346 -10.323 3.459 -2.279 1.00 3.07 H new ATOM 0 HA GLN A 346 -12.139 5.037 -3.897 1.00 3.79 H new ATOM 0 HB2 GLN A 346 -9.721 3.306 -4.592 1.00 4.24 H new ATOM 0 HB3 GLN A 346 -10.514 4.420 -5.688 1.00 4.24 H new ATOM 0 HG2 GLN A 346 -9.814 6.326 -4.411 1.00 4.90 H new ATOM 0 HG3 GLN A 346 -9.296 5.326 -3.068 1.00 4.90 H new ATOM 0 HE21 GLN A 346 -8.558 6.408 -6.344 1.00 5.81 H new ATOM 0 HE22 GLN A 346 -6.875 5.872 -6.359 1.00 5.81 H new ATOM 512 N SER A 347 -12.222 1.795 -3.864 1.00 3.53 N ATOM 513 CA SER A 347 -12.813 0.565 -4.378 1.00 4.14 C ATOM 514 C SER A 347 -12.081 0.144 -5.652 1.00 4.67 C ATOM 515 O SER A 347 -12.140 0.823 -6.680 1.00 5.05 O ATOM 516 CB SER A 347 -14.321 0.731 -4.629 1.00 4.47 C ATOM 517 OG SER A 347 -14.932 -0.506 -4.960 1.00 4.68 O ATOM 0 H SER A 347 -11.656 1.655 -3.027 1.00 3.53 H new ATOM 0 HA SER A 347 -12.701 -0.220 -3.630 1.00 4.14 H new ATOM 0 HB2 SER A 347 -14.795 1.146 -3.740 1.00 4.47 H new ATOM 0 HB3 SER A 347 -14.480 1.445 -5.438 1.00 4.47 H new ATOM 0 HG SER A 347 -14.984 -0.595 -5.935 1.00 4.68 H new ATOM 523 N GLY A 348 -11.373 -0.987 -5.561 1.00 5.14 N ATOM 524 CA GLY A 348 -10.605 -1.491 -6.688 1.00 6.09 C ATOM 525 C GLY A 348 -11.486 -1.771 -7.887 1.00 6.66 C ATOM 526 O GLY A 348 -11.211 -1.281 -8.981 1.00 7.18 O ATOM 0 H GLY A 348 -11.320 -1.563 -4.721 1.00 5.14 H new ATOM 0 HA2 GLY A 348 -9.840 -0.764 -6.961 1.00 6.09 H new ATOM 0 HA3 GLY A 348 -10.087 -2.405 -6.396 1.00 6.09 H new ATOM 530 N PRO A 349 -12.546 -2.576 -7.721 1.00 6.87 N ATOM 531 CA PRO A 349 -13.622 -2.651 -8.703 1.00 7.59 C ATOM 532 C PRO A 349 -14.394 -1.339 -8.710 1.00 7.24 C ATOM 533 O PRO A 349 -14.760 -0.831 -7.651 1.00 6.93 O ATOM 534 CB PRO A 349 -14.512 -3.798 -8.199 1.00 8.09 C ATOM 535 CG PRO A 349 -13.693 -4.521 -7.183 1.00 7.65 C ATOM 536 CD PRO A 349 -12.764 -3.500 -6.595 1.00 6.81 C ATOM 0 HA PRO A 349 -13.267 -2.821 -9.719 1.00 7.59 H new ATOM 0 HB2 PRO A 349 -15.434 -3.416 -7.760 1.00 8.09 H new ATOM 0 HB3 PRO A 349 -14.798 -4.460 -9.016 1.00 8.09 H new ATOM 0 HG2 PRO A 349 -14.327 -4.961 -6.413 1.00 7.65 H new ATOM 0 HG3 PRO A 349 -13.135 -5.338 -7.641 1.00 7.65 H new ATOM 0 HD2 PRO A 349 -13.208 -2.995 -5.737 1.00 6.81 H new ATOM 0 HD3 PRO A 349 -11.832 -3.950 -6.253 1.00 6.81 H new ATOM 544 N SER A 350 -14.629 -0.790 -9.898 1.00 7.62 N ATOM 545 CA SER A 350 -15.229 0.533 -10.024 1.00 7.69 C ATOM 546 C SER A 350 -16.640 0.568 -9.446 1.00 8.06 C ATOM 547 O SER A 350 -17.159 1.635 -9.112 1.00 8.21 O ATOM 548 CB SER A 350 -15.232 0.974 -11.486 1.00 8.35 C ATOM 549 OG SER A 350 -13.907 1.029 -11.994 1.00 8.86 O ATOM 0 H SER A 350 -14.413 -1.241 -10.787 1.00 7.62 H new ATOM 0 HA SER A 350 -14.624 1.232 -9.447 1.00 7.69 H new ATOM 0 HB2 SER A 350 -15.826 0.280 -12.080 1.00 8.35 H new ATOM 0 HB3 SER A 350 -15.702 1.953 -11.575 1.00 8.35 H new ATOM 0 HG SER A 350 -13.928 1.312 -12.932 1.00 8.86 H new ATOM 555 N GLY A 351 -17.256 -0.604 -9.334 1.00 8.46 N ATOM 556 CA GLY A 351 -18.536 -0.701 -8.673 1.00 9.04 C ATOM 557 C GLY A 351 -19.690 -0.794 -9.642 1.00 9.55 C ATOM 558 O GLY A 351 -19.929 0.120 -10.426 1.00 10.03 O ATOM 0 H GLY A 351 -16.888 -1.486 -9.690 1.00 8.46 H new ATOM 0 HA2 GLY A 351 -18.540 -1.578 -8.026 1.00 9.04 H new ATOM 0 HA3 GLY A 351 -18.675 0.169 -8.032 1.00 9.04 H new ATOM 562 N ASN A 352 -20.395 -1.911 -9.604 1.00 9.68 N ATOM 563 CA ASN A 352 -21.608 -2.062 -10.390 1.00 10.39 C ATOM 564 C ASN A 352 -22.812 -1.726 -9.528 1.00 10.64 C ATOM 565 O ASN A 352 -23.862 -1.325 -10.029 1.00 11.07 O ATOM 566 CB ASN A 352 -21.730 -3.481 -10.951 1.00 10.83 C ATOM 567 CG ASN A 352 -20.617 -3.829 -11.929 1.00 10.91 C ATOM 568 OD1 ASN A 352 -20.074 -2.827 -12.603 1.00 11.08 O flip ATOM 569 ND2 ASN A 352 -20.248 -4.993 -12.075 1.00 11.02 N flip ATOM 0 H ASN A 352 -20.150 -2.725 -9.040 1.00 9.68 H new ATOM 0 HA ASN A 352 -21.565 -1.376 -11.236 1.00 10.39 H new ATOM 0 HB2 ASN A 352 -21.719 -4.194 -10.127 1.00 10.83 H new ATOM 0 HB3 ASN A 352 -22.693 -3.587 -11.451 1.00 10.83 H new ATOM 0 HD21 ASN A 352 -20.690 -5.739 -11.538 1.00 11.02 H new ATOM 0 HD22 ASN A 352 -19.500 -5.212 -12.733 1.00 11.02 H new ATOM 576 N ASN A 353 -22.646 -1.893 -8.223 1.00 10.57 N ATOM 577 CA ASN A 353 -23.656 -1.509 -7.251 1.00 11.04 C ATOM 578 C ASN A 353 -23.043 -1.483 -5.855 1.00 11.52 C ATOM 579 O ASN A 353 -22.772 -0.415 -5.311 1.00 11.95 O ATOM 580 CB ASN A 353 -24.852 -2.468 -7.290 1.00 11.31 C ATOM 581 CG ASN A 353 -25.899 -2.135 -6.242 1.00 11.74 C ATOM 582 OD1 ASN A 353 -25.860 -2.649 -5.123 1.00 11.95 O ATOM 583 ND2 ASN A 353 -26.838 -1.274 -6.596 1.00 12.07 N ATOM 0 H ASN A 353 -21.806 -2.299 -7.810 1.00 10.57 H new ATOM 0 HA ASN A 353 -24.018 -0.512 -7.504 1.00 11.04 H new ATOM 0 HB2 ASN A 353 -25.309 -2.434 -8.279 1.00 11.31 H new ATOM 0 HB3 ASN A 353 -24.501 -3.488 -7.136 1.00 11.31 H new ATOM 0 HD21 ASN A 353 -27.567 -1.012 -5.932 1.00 12.07 H new ATOM 0 HD22 ASN A 353 -26.834 -0.871 -7.533 1.00 12.07 H new ATOM 590 N GLN A 354 -22.799 -2.674 -5.310 1.00 11.62 N ATOM 591 CA GLN A 354 -22.195 -2.846 -3.984 1.00 12.24 C ATOM 592 C GLN A 354 -22.880 -1.961 -2.931 1.00 12.69 C ATOM 593 O GLN A 354 -22.224 -1.307 -2.119 1.00 12.83 O ATOM 594 CB GLN A 354 -20.686 -2.562 -4.044 1.00 12.40 C ATOM 595 CG GLN A 354 -19.913 -3.060 -2.828 1.00 12.50 C ATOM 596 CD GLN A 354 -20.019 -4.563 -2.636 1.00 12.74 C ATOM 597 OE1 GLN A 354 -20.138 -5.302 -3.733 1.00 13.09 O flip ATOM 598 NE2 GLN A 354 -19.989 -5.058 -1.512 1.00 12.76 N flip ATOM 0 H GLN A 354 -23.015 -3.554 -5.777 1.00 11.62 H new ATOM 0 HA GLN A 354 -22.342 -3.882 -3.680 1.00 12.24 H new ATOM 0 HB2 GLN A 354 -20.274 -3.028 -4.939 1.00 12.40 H new ATOM 0 HB3 GLN A 354 -20.533 -1.488 -4.144 1.00 12.40 H new ATOM 0 HG2 GLN A 354 -18.863 -2.785 -2.933 1.00 12.50 H new ATOM 0 HG3 GLN A 354 -20.286 -2.557 -1.936 1.00 12.50 H new ATOM 0 HE21 GLN A 354 -19.897 -4.458 -0.693 1.00 12.76 H new ATOM 0 HE22 GLN A 354 -20.057 -6.069 -1.398 1.00 12.76 H new ATOM 607 N ASN A 355 -24.204 -1.937 -2.961 1.00 13.09 N ATOM 608 CA ASN A 355 -24.986 -1.188 -1.982 1.00 13.71 C ATOM 609 C ASN A 355 -26.199 -2.003 -1.559 1.00 14.13 C ATOM 610 O ASN A 355 -26.442 -2.184 -0.366 1.00 14.46 O ATOM 611 CB ASN A 355 -25.424 0.169 -2.560 1.00 14.16 C ATOM 612 CG ASN A 355 -26.286 0.966 -1.592 1.00 14.18 C ATOM 613 OD1 ASN A 355 -27.515 0.890 -1.628 1.00 14.03 O ATOM 614 ND2 ASN A 355 -25.652 1.728 -0.712 1.00 14.53 N ATOM 0 H ASN A 355 -24.764 -2.430 -3.656 1.00 13.09 H new ATOM 0 HA ASN A 355 -24.364 -0.998 -1.107 1.00 13.71 H new ATOM 0 HB2 ASN A 355 -24.540 0.752 -2.818 1.00 14.16 H new ATOM 0 HB3 ASN A 355 -25.979 0.004 -3.484 1.00 14.16 H new ATOM 0 HD21 ASN A 355 -26.183 2.276 -0.035 1.00 14.53 H new ATOM 0 HD22 ASN A 355 -24.633 1.766 -0.711 1.00 14.53 H new ATOM 621 N GLN A 356 -26.934 -2.510 -2.546 1.00 14.28 N ATOM 622 CA GLN A 356 -28.092 -3.365 -2.300 1.00 14.82 C ATOM 623 C GLN A 356 -29.136 -2.640 -1.457 1.00 15.14 C ATOM 624 O GLN A 356 -29.432 -3.032 -0.324 1.00 15.47 O ATOM 625 CB GLN A 356 -27.664 -4.676 -1.632 1.00 15.22 C ATOM 626 CG GLN A 356 -26.708 -5.507 -2.478 1.00 15.23 C ATOM 627 CD GLN A 356 -27.322 -5.959 -3.790 1.00 15.68 C ATOM 628 OE1 GLN A 356 -27.941 -7.020 -3.862 1.00 15.74 O ATOM 629 NE2 GLN A 356 -27.154 -5.168 -4.839 1.00 16.15 N ATOM 0 H GLN A 356 -26.745 -2.341 -3.534 1.00 14.28 H new ATOM 0 HA GLN A 356 -28.546 -3.606 -3.261 1.00 14.82 H new ATOM 0 HB2 GLN A 356 -27.188 -4.450 -0.678 1.00 15.22 H new ATOM 0 HB3 GLN A 356 -28.552 -5.269 -1.413 1.00 15.22 H new ATOM 0 HG2 GLN A 356 -25.811 -4.922 -2.684 1.00 15.23 H new ATOM 0 HG3 GLN A 356 -26.394 -6.382 -1.909 1.00 15.23 H new ATOM 0 HE21 GLN A 356 -26.635 -4.295 -4.742 1.00 16.15 H new ATOM 0 HE22 GLN A 356 -27.544 -5.431 -5.744 1.00 16.15 H new ATOM 638 N GLY A 357 -29.667 -1.564 -2.014 1.00 15.18 N ATOM 639 CA GLY A 357 -30.727 -0.824 -1.365 1.00 15.65 C ATOM 640 C GLY A 357 -31.972 -0.801 -2.220 1.00 15.86 C ATOM 641 O GLY A 357 -31.944 -0.303 -3.345 1.00 15.64 O ATOM 0 H GLY A 357 -29.378 -1.186 -2.916 1.00 15.18 H new ATOM 0 HA2 GLY A 357 -30.953 -1.276 -0.399 1.00 15.65 H new ATOM 0 HA3 GLY A 357 -30.397 0.196 -1.170 1.00 15.65 H new ATOM 645 N ASN A 358 -33.059 -1.352 -1.705 1.00 16.44 N ATOM 646 CA ASN A 358 -34.284 -1.470 -2.481 1.00 16.86 C ATOM 647 C ASN A 358 -35.432 -0.742 -1.803 1.00 17.18 C ATOM 648 O ASN A 358 -35.761 -1.016 -0.649 1.00 17.48 O ATOM 649 CB ASN A 358 -34.663 -2.939 -2.685 1.00 17.22 C ATOM 650 CG ASN A 358 -33.625 -3.730 -3.463 1.00 17.53 C ATOM 651 OD1 ASN A 358 -32.925 -3.073 -4.377 1.00 17.56 O flip ATOM 652 ND2 ASN A 358 -33.462 -4.932 -3.250 1.00 17.90 N flip ATOM 0 H ASN A 358 -33.119 -1.723 -0.757 1.00 16.44 H new ATOM 0 HA ASN A 358 -34.099 -1.012 -3.452 1.00 16.86 H new ATOM 0 HB2 ASN A 358 -34.810 -3.407 -1.711 1.00 17.22 H new ATOM 0 HB3 ASN A 358 -35.617 -2.990 -3.211 1.00 17.22 H new ATOM 0 HD21 ASN A 358 -34.020 -5.404 -2.538 1.00 17.90 H new ATOM 0 HD22 ASN A 358 -32.769 -5.456 -3.785 1.00 17.90 H new ATOM 659 N MET A 359 -36.036 0.185 -2.523 1.00 17.25 N ATOM 660 CA MET A 359 -37.193 0.909 -2.024 1.00 17.69 C ATOM 661 C MET A 359 -38.461 0.357 -2.660 1.00 18.15 C ATOM 662 O MET A 359 -39.484 0.216 -1.991 1.00 18.48 O ATOM 663 CB MET A 359 -37.062 2.408 -2.318 1.00 17.88 C ATOM 664 CG MET A 359 -38.234 3.240 -1.818 1.00 17.66 C ATOM 665 SD MET A 359 -38.020 5.003 -2.129 1.00 17.52 S ATOM 666 CE MET A 359 -39.577 5.640 -1.519 1.00 17.09 C ATOM 0 H MET A 359 -35.743 0.456 -3.462 1.00 17.25 H new ATOM 0 HA MET A 359 -37.248 0.776 -0.943 1.00 17.69 H new ATOM 0 HB2 MET A 359 -36.145 2.779 -1.861 1.00 17.88 H new ATOM 0 HB3 MET A 359 -36.962 2.550 -3.394 1.00 17.88 H new ATOM 0 HG2 MET A 359 -39.149 2.899 -2.302 1.00 17.66 H new ATOM 0 HG3 MET A 359 -38.359 3.077 -0.748 1.00 17.66 H new ATOM 0 HE1 MET A 359 -39.600 6.723 -1.642 1.00 17.09 H new ATOM 0 HE2 MET A 359 -40.398 5.194 -2.080 1.00 17.09 H new ATOM 0 HE3 MET A 359 -39.683 5.392 -0.463 1.00 17.09 H new ATOM 676 N GLN A 360 -38.357 0.027 -3.951 1.00 18.31 N ATOM 677 CA GLN A 360 -39.467 -0.523 -4.730 1.00 18.89 C ATOM 678 C GLN A 360 -40.701 0.372 -4.651 1.00 19.30 C ATOM 679 O GLN A 360 -40.714 1.416 -5.340 1.00 19.39 O ATOM 680 CB GLN A 360 -39.807 -1.942 -4.265 1.00 19.26 C ATOM 681 CG GLN A 360 -38.647 -2.917 -4.391 1.00 19.39 C ATOM 682 CD GLN A 360 -38.114 -3.020 -5.807 1.00 19.60 C ATOM 683 OE1 GLN A 360 -38.853 -2.869 -6.781 1.00 19.85 O ATOM 684 NE2 GLN A 360 -36.821 -3.273 -5.932 1.00 19.63 N ATOM 685 OXT GLN A 360 -41.644 0.032 -3.911 1.00 19.65 O ATOM 0 H GLN A 360 -37.495 0.135 -4.486 1.00 18.31 H new ATOM 0 HA GLN A 360 -39.148 -0.565 -5.771 1.00 18.89 H new ATOM 0 HB2 GLN A 360 -40.130 -1.907 -3.225 1.00 19.26 H new ATOM 0 HB3 GLN A 360 -40.649 -2.315 -4.848 1.00 19.26 H new ATOM 0 HG2 GLN A 360 -37.842 -2.603 -3.727 1.00 19.39 H new ATOM 0 HG3 GLN A 360 -38.970 -3.903 -4.057 1.00 19.39 H new ATOM 0 HE21 GLN A 360 -36.242 -3.392 -5.101 1.00 19.63 H new ATOM 0 HE22 GLN A 360 -36.404 -3.349 -6.860 1.00 19.63 H new TER 694 GLN A 360