USER MOD reduce.3.24.130724 H: found=0, std=0, add=331, rem=0, adj=10 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 : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 322 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 323 MET CE :methyl 160:sc= -0.21 (180deg=-0.941) USER MOD Single : A 327 GLN : amide:sc= 0.324 K(o=0.32,f=-0.9) USER MOD Single : A 331 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 332 SER OG : rot 180:sc= 0.00392 USER MOD Single : A 333 SER OG : rot 180:sc= 0 USER MOD Single : A 336 MET CE :methyl -167:sc= -0.0451 (180deg=-0.31) 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 -85:sc= 1.26 USER MOD Single : A 343 GLN : amide:sc= -1.13 K(o=-1.1,f=-2.2!) USER MOD Single : A 344 GLN : amide:sc= -0.0454 X(o=-0.045,f=0) USER MOD Single : A 345 ASN : amide:sc= -0.0183 X(o=-0.018,f=-0.053) USER MOD Single : A 346 GLN : amide:sc= 0.912 K(o=0.91,f=-7.5!) 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 : amide:sc= -0.151 K(o=-0.15,f=-1.5!) USER MOD Single : A 353 ASN : amide:sc= 0 X(o=0,f=-0.00028) USER MOD Single : A 354 GLN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 355 ASN : amide:sc= -0.188 K(o=-0.19,f=-5.1!) USER MOD Single : A 356 GLN :FLIP amide:sc= 0.972 F(o=-0.0098,f=0.97) USER MOD Single : A 358 ASN : amide:sc= 0.257 K(o=0.26,f=-0.29) USER MOD Single : A 359 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 360 GLN : amide:sc= -0.479 X(o=-0.48,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 311 35.885 5.473 -13.130 1.00 17.40 N ATOM 2 CA MET A 311 37.103 4.752 -12.705 1.00 17.36 C ATOM 3 C MET A 311 36.932 4.252 -11.279 1.00 16.99 C ATOM 4 O MET A 311 36.262 4.899 -10.469 1.00 17.05 O ATOM 5 CB MET A 311 38.342 5.652 -12.804 1.00 17.89 C ATOM 6 CG MET A 311 38.746 6.008 -14.230 1.00 18.43 C ATOM 7 SD MET A 311 37.522 7.029 -15.078 1.00 18.82 S ATOM 8 CE MET A 311 38.301 7.233 -16.678 1.00 19.56 C ATOM 0 HA MET A 311 37.250 3.903 -13.372 1.00 17.36 H new ATOM 0 HB2 MET A 311 38.153 6.573 -12.252 1.00 17.89 H new ATOM 0 HB3 MET A 311 39.179 5.153 -12.315 1.00 17.89 H new ATOM 0 HG2 MET A 311 39.700 6.535 -14.210 1.00 18.43 H new ATOM 0 HG3 MET A 311 38.901 5.090 -14.797 1.00 18.43 H new ATOM 0 HE1 MET A 311 37.664 7.844 -17.318 1.00 19.56 H new ATOM 0 HE2 MET A 311 39.266 7.724 -16.553 1.00 19.56 H new ATOM 0 HE3 MET A 311 38.448 6.256 -17.138 1.00 19.56 H new ATOM 20 N ASN A 312 37.527 3.094 -10.990 1.00 16.75 N ATOM 21 CA ASN A 312 37.414 2.440 -9.685 1.00 16.58 C ATOM 22 C ASN A 312 36.020 1.834 -9.502 1.00 16.05 C ATOM 23 O ASN A 312 35.005 2.444 -9.848 1.00 15.92 O ATOM 24 CB ASN A 312 37.751 3.417 -8.547 1.00 16.82 C ATOM 25 CG ASN A 312 37.808 2.744 -7.189 1.00 16.95 C ATOM 26 OD1 ASN A 312 36.833 2.744 -6.438 1.00 17.07 O ATOM 27 ND2 ASN A 312 38.952 2.156 -6.870 1.00 17.09 N ATOM 0 H ASN A 312 38.103 2.581 -11.657 1.00 16.75 H new ATOM 0 HA ASN A 312 38.140 1.628 -9.648 1.00 16.58 H new ATOM 0 HB2 ASN A 312 38.711 3.890 -8.753 1.00 16.82 H new ATOM 0 HB3 ASN A 312 37.004 4.210 -8.523 1.00 16.82 H new ATOM 0 HD21 ASN A 312 39.048 1.680 -5.973 1.00 17.09 H new ATOM 0 HD22 ASN A 312 39.736 2.179 -7.522 1.00 17.09 H new ATOM 34 N PHE A 313 35.989 0.614 -8.980 1.00 15.90 N ATOM 35 CA PHE A 313 34.753 -0.156 -8.872 1.00 15.59 C ATOM 36 C PHE A 313 33.944 0.255 -7.648 1.00 14.78 C ATOM 37 O PHE A 313 34.458 0.903 -6.733 1.00 14.72 O ATOM 38 CB PHE A 313 35.071 -1.653 -8.801 1.00 16.04 C ATOM 39 CG PHE A 313 35.798 -2.173 -10.008 1.00 16.54 C ATOM 40 CD1 PHE A 313 35.104 -2.534 -11.151 1.00 16.60 C ATOM 41 CD2 PHE A 313 37.179 -2.293 -10.000 1.00 17.11 C ATOM 42 CE1 PHE A 313 35.770 -3.007 -12.263 1.00 17.21 C ATOM 43 CE2 PHE A 313 37.852 -2.768 -11.112 1.00 17.71 C ATOM 44 CZ PHE A 313 37.144 -3.144 -12.237 1.00 17.76 C ATOM 0 H PHE A 313 36.813 0.132 -8.621 1.00 15.90 H new ATOM 0 HA PHE A 313 34.155 0.050 -9.759 1.00 15.59 H new ATOM 0 HB2 PHE A 313 35.674 -1.846 -7.914 1.00 16.04 H new ATOM 0 HB3 PHE A 313 34.141 -2.208 -8.681 1.00 16.04 H new ATOM 0 HD1 PHE A 313 34.028 -2.444 -11.172 1.00 16.60 H new ATOM 0 HD2 PHE A 313 37.735 -2.013 -9.117 1.00 17.11 H new ATOM 0 HE1 PHE A 313 35.217 -3.270 -13.153 1.00 17.21 H new ATOM 0 HE2 PHE A 313 38.929 -2.845 -11.100 1.00 17.71 H new ATOM 0 HZ PHE A 313 37.664 -3.544 -13.095 1.00 17.76 H new ATOM 54 N GLY A 314 32.674 -0.130 -7.643 1.00 14.30 N ATOM 55 CA GLY A 314 31.802 0.183 -6.531 1.00 13.66 C ATOM 56 C GLY A 314 31.963 -0.803 -5.397 1.00 13.23 C ATOM 57 O GLY A 314 31.177 -1.742 -5.268 1.00 13.59 O ATOM 0 H GLY A 314 32.231 -0.657 -8.396 1.00 14.30 H new ATOM 0 HA2 GLY A 314 32.018 1.189 -6.171 1.00 13.66 H new ATOM 0 HA3 GLY A 314 30.766 0.181 -6.870 1.00 13.66 H new ATOM 61 N ALA A 315 32.995 -0.594 -4.588 1.00 12.65 N ATOM 62 CA ALA A 315 33.300 -1.480 -3.473 1.00 12.37 C ATOM 63 C ALA A 315 32.152 -1.528 -2.468 1.00 11.49 C ATOM 64 O ALA A 315 31.548 -2.579 -2.250 1.00 11.05 O ATOM 65 CB ALA A 315 34.586 -1.038 -2.793 1.00 12.55 C ATOM 0 H ALA A 315 33.640 0.190 -4.686 1.00 12.65 H new ATOM 0 HA ALA A 315 33.434 -2.487 -3.868 1.00 12.37 H new ATOM 0 HB1 ALA A 315 34.806 -1.706 -1.961 1.00 12.55 H new ATOM 0 HB2 ALA A 315 35.406 -1.070 -3.510 1.00 12.55 H new ATOM 0 HB3 ALA A 315 34.469 -0.020 -2.420 1.00 12.55 H new ATOM 71 N PHE A 316 31.854 -0.390 -1.860 1.00 11.43 N ATOM 72 CA PHE A 316 30.777 -0.307 -0.885 1.00 10.85 C ATOM 73 C PHE A 316 29.603 0.472 -1.473 1.00 10.07 C ATOM 74 O PHE A 316 28.485 0.428 -0.961 1.00 9.85 O ATOM 75 CB PHE A 316 31.281 0.363 0.399 1.00 11.20 C ATOM 76 CG PHE A 316 30.366 0.184 1.580 1.00 11.56 C ATOM 77 CD1 PHE A 316 30.195 -1.066 2.156 1.00 11.80 C ATOM 78 CD2 PHE A 316 29.685 1.264 2.119 1.00 11.89 C ATOM 79 CE1 PHE A 316 29.360 -1.235 3.245 1.00 12.36 C ATOM 80 CE2 PHE A 316 28.849 1.101 3.208 1.00 12.42 C ATOM 81 CZ PHE A 316 28.686 -0.149 3.770 1.00 12.67 C ATOM 0 H PHE A 316 32.343 0.490 -2.025 1.00 11.43 H new ATOM 0 HA PHE A 316 30.438 -1.313 -0.639 1.00 10.85 H new ATOM 0 HB2 PHE A 316 32.262 -0.042 0.647 1.00 11.20 H new ATOM 0 HB3 PHE A 316 31.414 1.429 0.213 1.00 11.20 H new ATOM 0 HD1 PHE A 316 30.720 -1.917 1.749 1.00 11.80 H new ATOM 0 HD2 PHE A 316 29.809 2.244 1.683 1.00 11.89 H new ATOM 0 HE1 PHE A 316 29.235 -2.214 3.684 1.00 12.36 H new ATOM 0 HE2 PHE A 316 28.324 1.951 3.618 1.00 12.42 H new ATOM 0 HZ PHE A 316 28.032 -0.278 4.620 1.00 12.67 H new ATOM 91 N SER A 317 29.873 1.176 -2.564 1.00 9.87 N ATOM 92 CA SER A 317 28.857 1.962 -3.247 1.00 9.34 C ATOM 93 C SER A 317 27.913 1.041 -4.015 1.00 8.25 C ATOM 94 O SER A 317 28.340 0.314 -4.912 1.00 8.10 O ATOM 95 CB SER A 317 29.524 2.958 -4.202 1.00 9.90 C ATOM 96 OG SER A 317 28.599 3.909 -4.714 1.00 10.38 O ATOM 0 H SER A 317 30.796 1.218 -2.997 1.00 9.87 H new ATOM 0 HA SER A 317 28.278 2.517 -2.509 1.00 9.34 H new ATOM 0 HB2 SER A 317 30.327 3.478 -3.680 1.00 9.90 H new ATOM 0 HB3 SER A 317 29.981 2.416 -5.030 1.00 9.90 H new ATOM 0 HG SER A 317 29.064 4.526 -5.317 1.00 10.38 H new ATOM 102 N ILE A 318 26.638 1.065 -3.647 1.00 7.73 N ATOM 103 CA ILE A 318 25.629 0.245 -4.307 1.00 6.82 C ATOM 104 C ILE A 318 24.418 1.085 -4.696 1.00 6.18 C ATOM 105 O ILE A 318 24.259 2.222 -4.242 1.00 6.36 O ATOM 106 CB ILE A 318 25.158 -0.923 -3.411 1.00 6.89 C ATOM 107 CG1 ILE A 318 24.632 -0.397 -2.074 1.00 7.43 C ATOM 108 CG2 ILE A 318 26.289 -1.917 -3.196 1.00 7.27 C ATOM 109 CD1 ILE A 318 24.059 -1.476 -1.184 1.00 7.71 C ATOM 0 H ILE A 318 26.277 1.647 -2.891 1.00 7.73 H new ATOM 0 HA ILE A 318 26.097 -0.167 -5.201 1.00 6.82 H new ATOM 0 HB ILE A 318 24.342 -1.440 -3.916 1.00 6.89 H new ATOM 0 HG12 ILE A 318 25.443 0.105 -1.546 1.00 7.43 H new ATOM 0 HG13 ILE A 318 23.863 0.352 -2.265 1.00 7.43 H new ATOM 0 HG21 ILE A 318 25.941 -2.733 -2.563 1.00 7.27 H new ATOM 0 HG22 ILE A 318 26.611 -2.316 -4.158 1.00 7.27 H new ATOM 0 HG23 ILE A 318 27.127 -1.415 -2.713 1.00 7.27 H new ATOM 0 HD11 ILE A 318 23.705 -1.031 -0.254 1.00 7.71 H new ATOM 0 HD12 ILE A 318 23.227 -1.963 -1.692 1.00 7.71 H new ATOM 0 HD13 ILE A 318 24.831 -2.213 -0.963 1.00 7.71 H new ATOM 121 N ASN A 319 23.587 0.525 -5.555 1.00 5.79 N ATOM 122 CA ASN A 319 22.346 1.162 -5.966 1.00 5.44 C ATOM 123 C ASN A 319 21.172 0.447 -5.312 1.00 4.60 C ATOM 124 O ASN A 319 21.306 -0.710 -4.903 1.00 4.37 O ATOM 125 CB ASN A 319 22.207 1.122 -7.492 1.00 6.14 C ATOM 126 CG ASN A 319 23.308 1.883 -8.199 1.00 6.86 C ATOM 127 OD1 ASN A 319 24.346 1.320 -8.543 1.00 7.02 O ATOM 128 ND2 ASN A 319 23.100 3.172 -8.410 1.00 7.58 N ATOM 0 H ASN A 319 23.751 -0.384 -5.988 1.00 5.79 H new ATOM 0 HA ASN A 319 22.356 2.205 -5.650 1.00 5.44 H new ATOM 0 HB2 ASN A 319 22.215 0.085 -7.826 1.00 6.14 H new ATOM 0 HB3 ASN A 319 21.241 1.541 -7.776 1.00 6.14 H new ATOM 0 HD21 ASN A 319 23.814 3.735 -8.873 1.00 7.58 H new ATOM 0 HD22 ASN A 319 22.226 3.603 -8.110 1.00 7.58 H new ATOM 135 N PRO A 320 20.012 1.124 -5.192 1.00 4.45 N ATOM 136 CA PRO A 320 18.828 0.578 -4.509 1.00 4.02 C ATOM 137 C PRO A 320 18.133 -0.547 -5.281 1.00 3.55 C ATOM 138 O PRO A 320 16.906 -0.560 -5.404 1.00 3.28 O ATOM 139 CB PRO A 320 17.901 1.791 -4.388 1.00 4.60 C ATOM 140 CG PRO A 320 18.287 2.675 -5.517 1.00 5.20 C ATOM 141 CD PRO A 320 19.768 2.491 -5.694 1.00 5.13 C ATOM 0 HA PRO A 320 19.100 0.120 -3.558 1.00 4.02 H new ATOM 0 HB2 PRO A 320 16.854 1.497 -4.456 1.00 4.60 H new ATOM 0 HB3 PRO A 320 18.030 2.294 -3.430 1.00 4.60 H new ATOM 0 HG2 PRO A 320 17.748 2.406 -6.426 1.00 5.20 H new ATOM 0 HG3 PRO A 320 18.046 3.715 -5.299 1.00 5.20 H new ATOM 0 HD2 PRO A 320 20.062 2.593 -6.739 1.00 5.13 H new ATOM 0 HD3 PRO A 320 20.334 3.232 -5.130 1.00 5.13 H new ATOM 149 N ALA A 321 18.912 -1.494 -5.783 1.00 3.54 N ATOM 150 CA ALA A 321 18.361 -2.647 -6.471 1.00 3.23 C ATOM 151 C ALA A 321 17.889 -3.682 -5.459 1.00 2.87 C ATOM 152 O ALA A 321 16.862 -4.335 -5.649 1.00 2.56 O ATOM 153 CB ALA A 321 19.389 -3.248 -7.417 1.00 3.49 C ATOM 0 H ALA A 321 19.930 -1.484 -5.725 1.00 3.54 H new ATOM 0 HA ALA A 321 17.505 -2.325 -7.064 1.00 3.23 H new ATOM 0 HB1 ALA A 321 18.957 -4.111 -7.923 1.00 3.49 H new ATOM 0 HB2 ALA A 321 19.682 -2.503 -8.157 1.00 3.49 H new ATOM 0 HB3 ALA A 321 20.266 -3.561 -6.850 1.00 3.49 H new ATOM 159 N MET A 322 18.636 -3.811 -4.367 1.00 3.00 N ATOM 160 CA MET A 322 18.259 -4.713 -3.283 1.00 2.79 C ATOM 161 C MET A 322 16.973 -4.237 -2.626 1.00 2.47 C ATOM 162 O MET A 322 16.120 -5.042 -2.259 1.00 2.15 O ATOM 163 CB MET A 322 19.372 -4.814 -2.241 1.00 3.15 C ATOM 164 CG MET A 322 20.596 -5.574 -2.724 1.00 3.58 C ATOM 165 SD MET A 322 20.233 -7.302 -3.101 1.00 4.04 S ATOM 166 CE MET A 322 21.848 -7.882 -3.622 1.00 5.05 C ATOM 0 H MET A 322 19.506 -3.303 -4.209 1.00 3.00 H new ATOM 0 HA MET A 322 18.098 -5.704 -3.708 1.00 2.79 H new ATOM 0 HB2 MET A 322 19.673 -3.809 -1.946 1.00 3.15 H new ATOM 0 HB3 MET A 322 18.980 -5.304 -1.350 1.00 3.15 H new ATOM 0 HG2 MET A 322 20.994 -5.087 -3.614 1.00 3.58 H new ATOM 0 HG3 MET A 322 21.373 -5.527 -1.961 1.00 3.58 H new ATOM 0 HE1 MET A 322 21.787 -8.937 -3.889 1.00 5.05 H new ATOM 0 HE2 MET A 322 22.179 -7.308 -4.487 1.00 5.05 H new ATOM 0 HE3 MET A 322 22.561 -7.754 -2.807 1.00 5.05 H new ATOM 176 N MET A 323 16.835 -2.920 -2.495 1.00 2.62 N ATOM 177 CA MET A 323 15.615 -2.317 -1.959 1.00 2.46 C ATOM 178 C MET A 323 14.409 -2.689 -2.813 1.00 2.10 C ATOM 179 O MET A 323 13.315 -2.916 -2.298 1.00 1.85 O ATOM 180 CB MET A 323 15.742 -0.793 -1.890 1.00 2.84 C ATOM 181 CG MET A 323 16.752 -0.304 -0.866 1.00 3.05 C ATOM 182 SD MET A 323 16.853 1.496 -0.796 1.00 3.43 S ATOM 183 CE MET A 323 15.159 1.911 -0.384 1.00 3.62 C ATOM 0 H MET A 323 17.556 -2.246 -2.754 1.00 2.62 H new ATOM 0 HA MET A 323 15.471 -2.705 -0.951 1.00 2.46 H new ATOM 0 HB2 MET A 323 16.025 -0.417 -2.873 1.00 2.84 H new ATOM 0 HB3 MET A 323 14.766 -0.367 -1.655 1.00 2.84 H new ATOM 0 HG2 MET A 323 16.481 -0.688 0.118 1.00 3.05 H new ATOM 0 HG3 MET A 323 17.734 -0.710 -1.107 1.00 3.05 H new ATOM 0 HE1 MET A 323 15.123 2.916 0.038 1.00 3.62 H new ATOM 0 HE2 MET A 323 14.546 1.873 -1.284 1.00 3.62 H new ATOM 0 HE3 MET A 323 14.777 1.197 0.346 1.00 3.62 H new ATOM 193 N ALA A 324 14.628 -2.766 -4.116 1.00 2.17 N ATOM 194 CA ALA A 324 13.566 -3.081 -5.063 1.00 1.99 C ATOM 195 C ALA A 324 13.173 -4.551 -4.967 1.00 1.65 C ATOM 196 O ALA A 324 11.991 -4.898 -5.021 1.00 1.44 O ATOM 197 CB ALA A 324 14.004 -2.740 -6.477 1.00 2.32 C ATOM 0 H ALA A 324 15.540 -2.613 -4.547 1.00 2.17 H new ATOM 0 HA ALA A 324 12.693 -2.479 -4.812 1.00 1.99 H new ATOM 0 HB1 ALA A 324 13.201 -2.980 -7.174 1.00 2.32 H new ATOM 0 HB2 ALA A 324 14.233 -1.676 -6.540 1.00 2.32 H new ATOM 0 HB3 ALA A 324 14.892 -3.319 -6.732 1.00 2.32 H new ATOM 203 N ALA A 325 14.173 -5.410 -4.816 1.00 1.69 N ATOM 204 CA ALA A 325 13.939 -6.840 -4.652 1.00 1.53 C ATOM 205 C ALA A 325 13.260 -7.112 -3.313 1.00 1.28 C ATOM 206 O ALA A 325 12.442 -8.022 -3.183 1.00 1.15 O ATOM 207 CB ALA A 325 15.249 -7.607 -4.749 1.00 1.81 C ATOM 0 H ALA A 325 15.157 -5.141 -4.804 1.00 1.69 H new ATOM 0 HA ALA A 325 13.281 -7.180 -5.452 1.00 1.53 H new ATOM 0 HB1 ALA A 325 15.057 -8.673 -4.624 1.00 1.81 H new ATOM 0 HB2 ALA A 325 15.702 -7.432 -5.725 1.00 1.81 H new ATOM 0 HB3 ALA A 325 15.928 -7.267 -3.967 1.00 1.81 H new ATOM 213 N ALA A 326 13.604 -6.297 -2.325 1.00 1.36 N ATOM 214 CA ALA A 326 13.032 -6.396 -1.004 1.00 1.30 C ATOM 215 C ALA A 326 11.600 -5.909 -1.035 1.00 1.05 C ATOM 216 O ALA A 326 10.745 -6.438 -0.346 1.00 0.93 O ATOM 217 CB ALA A 326 13.856 -5.579 -0.024 1.00 1.68 C ATOM 0 H ALA A 326 14.290 -5.549 -2.425 1.00 1.36 H new ATOM 0 HA ALA A 326 13.041 -7.436 -0.678 1.00 1.30 H new ATOM 0 HB1 ALA A 326 13.420 -5.657 0.972 1.00 1.68 H new ATOM 0 HB2 ALA A 326 14.878 -5.958 -0.003 1.00 1.68 H new ATOM 0 HB3 ALA A 326 13.863 -4.535 -0.336 1.00 1.68 H new ATOM 223 N GLN A 327 11.353 -4.900 -1.859 1.00 1.11 N ATOM 224 CA GLN A 327 10.022 -4.331 -2.019 1.00 1.11 C ATOM 225 C GLN A 327 9.062 -5.377 -2.546 1.00 0.86 C ATOM 226 O GLN A 327 7.966 -5.548 -2.024 1.00 0.84 O ATOM 227 CB GLN A 327 10.059 -3.212 -3.035 1.00 1.38 C ATOM 228 CG GLN A 327 9.028 -2.123 -2.795 1.00 1.63 C ATOM 229 CD GLN A 327 9.269 -1.376 -1.494 1.00 1.81 C ATOM 230 OE1 GLN A 327 10.404 -1.255 -1.034 1.00 2.56 O ATOM 231 NE2 GLN A 327 8.204 -0.873 -0.890 1.00 1.90 N ATOM 0 H GLN A 327 12.068 -4.454 -2.434 1.00 1.11 H new ATOM 0 HA GLN A 327 9.696 -3.966 -1.045 1.00 1.11 H new ATOM 0 HB2 GLN A 327 11.053 -2.764 -3.030 1.00 1.38 H new ATOM 0 HB3 GLN A 327 9.903 -3.632 -4.029 1.00 1.38 H new ATOM 0 HG2 GLN A 327 9.048 -1.417 -3.625 1.00 1.63 H new ATOM 0 HG3 GLN A 327 8.032 -2.566 -2.778 1.00 1.63 H new ATOM 0 HE21 GLN A 327 7.279 -0.994 -1.303 1.00 1.90 H new ATOM 0 HE22 GLN A 327 8.308 -0.364 -0.012 1.00 1.90 H new ATOM 240 N ALA A 328 9.495 -6.064 -3.602 1.00 0.82 N ATOM 241 CA ALA A 328 8.707 -7.124 -4.208 1.00 0.84 C ATOM 242 C ALA A 328 8.376 -8.170 -3.186 1.00 0.70 C ATOM 243 O ALA A 328 7.300 -8.761 -3.189 1.00 0.80 O ATOM 244 CB ALA A 328 9.473 -7.801 -5.318 1.00 0.98 C ATOM 0 H ALA A 328 10.394 -5.900 -4.055 1.00 0.82 H new ATOM 0 HA ALA A 328 7.800 -6.668 -4.605 1.00 0.84 H new ATOM 0 HB1 ALA A 328 8.860 -8.590 -5.754 1.00 0.98 H new ATOM 0 HB2 ALA A 328 9.723 -7.069 -6.086 1.00 0.98 H new ATOM 0 HB3 ALA A 328 10.389 -8.233 -4.916 1.00 0.98 H new ATOM 250 N ALA A 329 9.329 -8.405 -2.317 1.00 0.61 N ATOM 251 CA ALA A 329 9.195 -9.455 -1.364 1.00 0.69 C ATOM 252 C ALA A 329 8.334 -8.990 -0.200 1.00 0.55 C ATOM 253 O ALA A 329 7.541 -9.741 0.372 1.00 0.63 O ATOM 254 CB ALA A 329 10.555 -9.936 -0.888 1.00 0.92 C ATOM 0 H ALA A 329 10.201 -7.879 -2.258 1.00 0.61 H new ATOM 0 HA ALA A 329 8.702 -10.302 -1.842 1.00 0.69 H new ATOM 0 HB1 ALA A 329 10.424 -10.738 -0.161 1.00 0.92 H new ATOM 0 HB2 ALA A 329 11.128 -10.307 -1.738 1.00 0.92 H new ATOM 0 HB3 ALA A 329 11.091 -9.109 -0.423 1.00 0.92 H new ATOM 260 N LEU A 330 8.526 -7.723 0.128 1.00 0.46 N ATOM 261 CA LEU A 330 7.773 -7.023 1.155 1.00 0.45 C ATOM 262 C LEU A 330 6.337 -6.761 0.701 1.00 0.41 C ATOM 263 O LEU A 330 5.503 -6.293 1.484 1.00 0.46 O ATOM 264 CB LEU A 330 8.484 -5.704 1.481 1.00 0.59 C ATOM 265 CG LEU A 330 9.155 -5.641 2.858 1.00 0.93 C ATOM 266 CD1 LEU A 330 8.132 -5.849 3.963 1.00 1.52 C ATOM 267 CD2 LEU A 330 10.270 -6.670 2.963 1.00 1.59 C ATOM 0 H LEU A 330 9.228 -7.138 -0.325 1.00 0.46 H new ATOM 0 HA LEU A 330 7.725 -7.644 2.049 1.00 0.45 H new ATOM 0 HB2 LEU A 330 9.241 -5.521 0.718 1.00 0.59 H new ATOM 0 HB3 LEU A 330 7.759 -4.893 1.412 1.00 0.59 H new ATOM 0 HG LEU A 330 9.593 -4.650 2.977 1.00 0.93 H new ATOM 0 HD11 LEU A 330 8.628 -5.801 4.932 1.00 1.52 H new ATOM 0 HD12 LEU A 330 7.371 -5.071 3.906 1.00 1.52 H new ATOM 0 HD13 LEU A 330 7.662 -6.825 3.844 1.00 1.52 H new ATOM 0 HD21 LEU A 330 10.732 -6.607 3.948 1.00 1.59 H new ATOM 0 HD22 LEU A 330 9.858 -7.669 2.818 1.00 1.59 H new ATOM 0 HD23 LEU A 330 11.020 -6.473 2.197 1.00 1.59 H new ATOM 279 N GLN A 331 6.070 -7.045 -0.573 1.00 0.46 N ATOM 280 CA GLN A 331 4.758 -6.818 -1.176 1.00 0.59 C ATOM 281 C GLN A 331 3.639 -7.458 -0.355 1.00 0.59 C ATOM 282 O GLN A 331 2.509 -6.974 -0.352 1.00 0.70 O ATOM 283 CB GLN A 331 4.721 -7.349 -2.611 1.00 0.77 C ATOM 284 CG GLN A 331 3.414 -7.051 -3.334 1.00 1.46 C ATOM 285 CD GLN A 331 3.365 -7.605 -4.746 1.00 1.83 C ATOM 286 OE1 GLN A 331 4.389 -7.712 -5.425 1.00 2.27 O ATOM 287 NE2 GLN A 331 2.172 -7.961 -5.197 1.00 2.41 N ATOM 0 H GLN A 331 6.757 -7.439 -1.216 1.00 0.46 H new ATOM 0 HA GLN A 331 4.593 -5.741 -1.190 1.00 0.59 H new ATOM 0 HB2 GLN A 331 5.546 -6.912 -3.173 1.00 0.77 H new ATOM 0 HB3 GLN A 331 4.881 -8.427 -2.596 1.00 0.77 H new ATOM 0 HG2 GLN A 331 2.587 -7.468 -2.760 1.00 1.46 H new ATOM 0 HG3 GLN A 331 3.265 -5.972 -3.370 1.00 1.46 H new ATOM 0 HE21 GLN A 331 1.350 -7.856 -4.602 1.00 2.41 H new ATOM 0 HE22 GLN A 331 2.075 -8.340 -6.139 1.00 2.41 H new ATOM 296 N SER A 332 3.960 -8.539 0.339 1.00 0.53 N ATOM 297 CA SER A 332 2.994 -9.230 1.181 1.00 0.59 C ATOM 298 C SER A 332 2.343 -8.273 2.182 1.00 0.58 C ATOM 299 O SER A 332 1.115 -8.183 2.274 1.00 0.67 O ATOM 300 CB SER A 332 3.693 -10.370 1.914 1.00 0.63 C ATOM 301 OG SER A 332 4.945 -9.939 2.431 1.00 1.46 O ATOM 0 H SER A 332 4.889 -8.960 0.336 1.00 0.53 H new ATOM 0 HA SER A 332 2.202 -9.631 0.548 1.00 0.59 H new ATOM 0 HB2 SER A 332 3.062 -10.728 2.727 1.00 0.63 H new ATOM 0 HB3 SER A 332 3.843 -11.209 1.234 1.00 0.63 H new ATOM 0 HG SER A 332 5.379 -10.682 2.899 1.00 1.46 H new ATOM 307 N SER A 333 3.176 -7.549 2.914 1.00 0.54 N ATOM 308 CA SER A 333 2.700 -6.616 3.921 1.00 0.62 C ATOM 309 C SER A 333 2.440 -5.237 3.321 1.00 0.65 C ATOM 310 O SER A 333 1.388 -4.646 3.554 1.00 0.70 O ATOM 311 CB SER A 333 3.705 -6.519 5.070 1.00 0.74 C ATOM 312 OG SER A 333 3.902 -7.785 5.684 1.00 1.39 O ATOM 0 H SER A 333 4.191 -7.591 2.828 1.00 0.54 H new ATOM 0 HA SER A 333 1.754 -6.993 4.310 1.00 0.62 H new ATOM 0 HB2 SER A 333 4.656 -6.141 4.695 1.00 0.74 H new ATOM 0 HB3 SER A 333 3.348 -5.804 5.811 1.00 0.74 H new ATOM 0 HG SER A 333 4.550 -7.697 6.414 1.00 1.39 H new ATOM 318 N TRP A 334 3.381 -4.745 2.524 1.00 0.67 N ATOM 319 CA TRP A 334 3.315 -3.376 2.019 1.00 0.77 C ATOM 320 C TRP A 334 2.503 -3.290 0.728 1.00 0.76 C ATOM 321 O TRP A 334 1.629 -2.431 0.589 1.00 0.83 O ATOM 322 CB TRP A 334 4.734 -2.840 1.783 1.00 0.89 C ATOM 323 CG TRP A 334 4.777 -1.494 1.119 1.00 1.04 C ATOM 324 CD1 TRP A 334 4.688 -0.276 1.730 1.00 1.68 C ATOM 325 CD2 TRP A 334 4.920 -1.232 -0.284 1.00 1.63 C ATOM 326 NE1 TRP A 334 4.769 0.727 0.795 1.00 2.16 N ATOM 327 CE2 TRP A 334 4.907 0.165 -0.448 1.00 2.03 C ATOM 328 CE3 TRP A 334 5.059 -2.044 -1.417 1.00 2.43 C ATOM 329 CZ2 TRP A 334 5.029 0.767 -1.700 1.00 2.72 C ATOM 330 CZ3 TRP A 334 5.175 -1.444 -2.656 1.00 3.17 C ATOM 331 CH2 TRP A 334 5.158 -0.051 -2.790 1.00 3.18 C ATOM 0 H TRP A 334 4.198 -5.271 2.213 1.00 0.67 H new ATOM 0 HA TRP A 334 2.812 -2.765 2.769 1.00 0.77 H new ATOM 0 HB2 TRP A 334 5.252 -2.778 2.740 1.00 0.89 H new ATOM 0 HB3 TRP A 334 5.283 -3.554 1.169 1.00 0.89 H new ATOM 0 HD1 TRP A 334 4.571 -0.124 2.793 1.00 1.68 H new ATOM 0 HE1 TRP A 334 4.732 1.727 0.993 1.00 2.16 H new ATOM 0 HE3 TRP A 334 5.075 -3.120 -1.324 1.00 2.43 H new ATOM 0 HZ2 TRP A 334 5.022 1.842 -1.806 1.00 2.72 H new ATOM 0 HZ3 TRP A 334 5.281 -2.061 -3.536 1.00 3.17 H new ATOM 0 HH2 TRP A 334 5.248 0.387 -3.773 1.00 3.18 H new ATOM 342 N GLY A 335 2.786 -4.185 -0.207 1.00 0.74 N ATOM 343 CA GLY A 335 2.148 -4.129 -1.509 1.00 0.83 C ATOM 344 C GLY A 335 0.651 -4.324 -1.435 1.00 0.76 C ATOM 345 O GLY A 335 -0.109 -3.579 -2.059 1.00 0.80 O ATOM 0 H GLY A 335 3.448 -4.952 -0.088 1.00 0.74 H new ATOM 0 HA2 GLY A 335 2.362 -3.166 -1.973 1.00 0.83 H new ATOM 0 HA3 GLY A 335 2.579 -4.896 -2.153 1.00 0.83 H new ATOM 349 N MET A 336 0.217 -5.300 -0.649 1.00 0.70 N ATOM 350 CA MET A 336 -1.207 -5.557 -0.490 1.00 0.70 C ATOM 351 C MET A 336 -1.850 -4.482 0.370 1.00 0.61 C ATOM 352 O MET A 336 -3.046 -4.246 0.270 1.00 0.61 O ATOM 353 CB MET A 336 -1.469 -6.931 0.127 1.00 0.80 C ATOM 354 CG MET A 336 -2.949 -7.308 0.137 1.00 0.93 C ATOM 355 SD MET A 336 -3.286 -8.813 1.074 1.00 1.58 S ATOM 356 CE MET A 336 -2.325 -10.014 0.155 1.00 2.31 C ATOM 0 H MET A 336 0.825 -5.922 -0.116 1.00 0.70 H new ATOM 0 HA MET A 336 -1.651 -5.540 -1.485 1.00 0.70 H new ATOM 0 HB2 MET A 336 -0.911 -7.685 -0.429 1.00 0.80 H new ATOM 0 HB3 MET A 336 -1.090 -6.943 1.149 1.00 0.80 H new ATOM 0 HG2 MET A 336 -3.525 -6.486 0.561 1.00 0.93 H new ATOM 0 HG3 MET A 336 -3.292 -7.441 -0.889 1.00 0.93 H new ATOM 0 HE1 MET A 336 -2.609 -11.020 0.464 1.00 2.31 H new ATOM 0 HE2 MET A 336 -2.517 -9.894 -0.911 1.00 2.31 H new ATOM 0 HE3 MET A 336 -1.264 -9.859 0.353 1.00 2.31 H new ATOM 366 N MET A 337 -1.050 -3.822 1.205 1.00 0.61 N ATOM 367 CA MET A 337 -1.559 -2.767 2.074 1.00 0.62 C ATOM 368 C MET A 337 -2.190 -1.661 1.240 1.00 0.56 C ATOM 369 O MET A 337 -3.310 -1.229 1.509 1.00 0.59 O ATOM 370 CB MET A 337 -0.440 -2.195 2.950 1.00 0.74 C ATOM 371 CG MET A 337 -0.911 -1.112 3.906 1.00 1.19 C ATOM 372 SD MET A 337 0.420 -0.469 4.936 1.00 2.22 S ATOM 373 CE MET A 337 -0.481 0.708 5.941 1.00 3.15 C ATOM 0 H MET A 337 -0.050 -4.000 1.297 1.00 0.61 H new ATOM 0 HA MET A 337 -2.318 -3.197 2.727 1.00 0.62 H new ATOM 0 HB2 MET A 337 0.010 -3.004 3.524 1.00 0.74 H new ATOM 0 HB3 MET A 337 0.341 -1.787 2.308 1.00 0.74 H new ATOM 0 HG2 MET A 337 -1.350 -0.294 3.335 1.00 1.19 H new ATOM 0 HG3 MET A 337 -1.698 -1.514 4.545 1.00 1.19 H new ATOM 0 HE1 MET A 337 0.205 1.194 6.635 1.00 3.15 H new ATOM 0 HE2 MET A 337 -0.940 1.459 5.298 1.00 3.15 H new ATOM 0 HE3 MET A 337 -1.257 0.188 6.502 1.00 3.15 H new ATOM 383 N GLY A 338 -1.470 -1.226 0.213 1.00 0.60 N ATOM 384 CA GLY A 338 -2.003 -0.237 -0.703 1.00 0.66 C ATOM 385 C GLY A 338 -3.220 -0.746 -1.437 1.00 0.57 C ATOM 386 O GLY A 338 -4.214 -0.038 -1.544 1.00 0.58 O ATOM 0 H GLY A 338 -0.524 -1.542 -0.002 1.00 0.60 H new ATOM 0 HA2 GLY A 338 -2.264 0.666 -0.151 1.00 0.66 H new ATOM 0 HA3 GLY A 338 -1.234 0.041 -1.424 1.00 0.66 H new ATOM 390 N MET A 339 -3.162 -1.984 -1.918 1.00 0.58 N ATOM 391 CA MET A 339 -4.288 -2.575 -2.631 1.00 0.66 C ATOM 392 C MET A 339 -5.501 -2.647 -1.726 1.00 0.54 C ATOM 393 O MET A 339 -6.620 -2.342 -2.131 1.00 0.62 O ATOM 394 CB MET A 339 -3.951 -3.985 -3.094 1.00 0.85 C ATOM 395 CG MET A 339 -2.702 -4.070 -3.961 1.00 1.24 C ATOM 396 SD MET A 339 -2.245 -5.767 -4.367 1.00 2.05 S ATOM 397 CE MET A 339 -0.820 -5.490 -5.420 1.00 2.55 C ATOM 0 H MET A 339 -2.350 -2.595 -1.827 1.00 0.58 H new ATOM 0 HA MET A 339 -4.502 -1.946 -3.496 1.00 0.66 H new ATOM 0 HB2 MET A 339 -3.818 -4.622 -2.219 1.00 0.85 H new ATOM 0 HB3 MET A 339 -4.797 -4.385 -3.653 1.00 0.85 H new ATOM 0 HG2 MET A 339 -2.867 -3.513 -4.883 1.00 1.24 H new ATOM 0 HG3 MET A 339 -1.872 -3.590 -3.443 1.00 1.24 H new ATOM 0 HE1 MET A 339 -0.422 -6.448 -5.754 1.00 2.55 H new ATOM 0 HE2 MET A 339 -1.117 -4.899 -6.286 1.00 2.55 H new ATOM 0 HE3 MET A 339 -0.053 -4.954 -4.861 1.00 2.55 H new ATOM 407 N LEU A 340 -5.252 -3.032 -0.484 1.00 0.46 N ATOM 408 CA LEU A 340 -6.304 -3.220 0.485 1.00 0.58 C ATOM 409 C LEU A 340 -6.935 -1.870 0.830 1.00 0.56 C ATOM 410 O LEU A 340 -8.156 -1.728 0.873 1.00 0.69 O ATOM 411 CB LEU A 340 -5.738 -3.895 1.746 1.00 0.73 C ATOM 412 CG LEU A 340 -6.756 -4.567 2.679 1.00 1.13 C ATOM 413 CD1 LEU A 340 -6.045 -5.515 3.632 1.00 1.60 C ATOM 414 CD2 LEU A 340 -7.549 -3.538 3.475 1.00 1.76 C ATOM 0 H LEU A 340 -4.316 -3.221 -0.127 1.00 0.46 H new ATOM 0 HA LEU A 340 -7.075 -3.866 0.065 1.00 0.58 H new ATOM 0 HB2 LEU A 340 -5.013 -4.647 1.434 1.00 0.73 H new ATOM 0 HB3 LEU A 340 -5.193 -3.145 2.319 1.00 0.73 H new ATOM 0 HG LEU A 340 -7.455 -5.128 2.058 1.00 1.13 H new ATOM 0 HD11 LEU A 340 -6.776 -5.986 4.289 1.00 1.60 H new ATOM 0 HD12 LEU A 340 -5.523 -6.282 3.060 1.00 1.60 H new ATOM 0 HD13 LEU A 340 -5.325 -4.957 4.231 1.00 1.60 H new ATOM 0 HD21 LEU A 340 -8.260 -4.049 4.124 1.00 1.76 H new ATOM 0 HD22 LEU A 340 -6.867 -2.943 4.081 1.00 1.76 H new ATOM 0 HD23 LEU A 340 -8.089 -2.885 2.789 1.00 1.76 H new ATOM 426 N ALA A 341 -6.086 -0.881 1.073 1.00 0.52 N ATOM 427 CA ALA A 341 -6.540 0.454 1.441 1.00 0.69 C ATOM 428 C ALA A 341 -7.181 1.187 0.266 1.00 0.70 C ATOM 429 O ALA A 341 -8.238 1.796 0.414 1.00 0.88 O ATOM 430 CB ALA A 341 -5.384 1.266 2.002 1.00 0.82 C ATOM 0 H ALA A 341 -5.072 -0.979 1.021 1.00 0.52 H new ATOM 0 HA ALA A 341 -7.306 0.338 2.208 1.00 0.69 H new ATOM 0 HB1 ALA A 341 -5.736 2.261 2.273 1.00 0.82 H new ATOM 0 HB2 ALA A 341 -4.985 0.769 2.886 1.00 0.82 H new ATOM 0 HB3 ALA A 341 -4.600 1.351 1.249 1.00 0.82 H new ATOM 436 N SER A 342 -6.555 1.112 -0.904 1.00 0.64 N ATOM 437 CA SER A 342 -6.993 1.905 -2.044 1.00 0.84 C ATOM 438 C SER A 342 -8.331 1.415 -2.599 1.00 0.86 C ATOM 439 O SER A 342 -9.075 2.181 -3.211 1.00 1.04 O ATOM 440 CB SER A 342 -5.936 1.917 -3.151 1.00 1.02 C ATOM 441 OG SER A 342 -5.636 0.607 -3.600 1.00 1.61 O ATOM 0 H SER A 342 -5.749 0.514 -1.086 1.00 0.64 H new ATOM 0 HA SER A 342 -7.131 2.924 -1.683 1.00 0.84 H new ATOM 0 HB2 SER A 342 -6.292 2.517 -3.989 1.00 1.02 H new ATOM 0 HB3 SER A 342 -5.027 2.393 -2.782 1.00 1.02 H new ATOM 0 HG SER A 342 -4.950 0.212 -3.023 1.00 1.61 H new ATOM 447 N GLN A 343 -8.638 0.135 -2.393 1.00 0.77 N ATOM 448 CA GLN A 343 -9.923 -0.410 -2.821 1.00 0.94 C ATOM 449 C GLN A 343 -11.026 0.046 -1.873 1.00 1.02 C ATOM 450 O GLN A 343 -12.214 -0.041 -2.186 1.00 1.20 O ATOM 451 CB GLN A 343 -9.888 -1.941 -2.895 1.00 1.05 C ATOM 452 CG GLN A 343 -9.753 -2.625 -1.544 1.00 1.73 C ATOM 453 CD GLN A 343 -9.644 -4.134 -1.651 1.00 2.21 C ATOM 454 OE1 GLN A 343 -10.081 -4.864 -0.761 1.00 2.89 O ATOM 455 NE2 GLN A 343 -9.047 -4.616 -2.729 1.00 2.59 N ATOM 0 H GLN A 343 -8.021 -0.537 -1.937 1.00 0.77 H new ATOM 0 HA GLN A 343 -10.130 -0.033 -3.823 1.00 0.94 H new ATOM 0 HB2 GLN A 343 -10.800 -2.292 -3.378 1.00 1.05 H new ATOM 0 HB3 GLN A 343 -9.055 -2.244 -3.529 1.00 1.05 H new ATOM 0 HG2 GLN A 343 -8.871 -2.238 -1.034 1.00 1.73 H new ATOM 0 HG3 GLN A 343 -10.615 -2.372 -0.927 1.00 1.73 H new ATOM 0 HE21 GLN A 343 -8.697 -3.980 -3.446 1.00 2.59 H new ATOM 0 HE22 GLN A 343 -8.936 -5.624 -2.843 1.00 2.59 H new ATOM 464 N GLN A 344 -10.595 0.527 -0.706 1.00 1.01 N ATOM 465 CA GLN A 344 -11.481 1.010 0.343 1.00 1.26 C ATOM 466 C GLN A 344 -12.428 -0.094 0.806 1.00 1.63 C ATOM 467 O GLN A 344 -13.646 -0.007 0.650 1.00 2.07 O ATOM 468 CB GLN A 344 -12.245 2.255 -0.124 1.00 1.72 C ATOM 469 CG GLN A 344 -12.982 2.971 0.995 1.00 1.96 C ATOM 470 CD GLN A 344 -13.351 4.395 0.631 1.00 2.53 C ATOM 471 OE1 GLN A 344 -12.591 5.327 0.887 1.00 3.07 O ATOM 472 NE2 GLN A 344 -14.507 4.571 0.018 1.00 3.10 N ATOM 0 H GLN A 344 -9.606 0.591 -0.464 1.00 1.01 H new ATOM 0 HA GLN A 344 -10.875 1.299 1.201 1.00 1.26 H new ATOM 0 HB2 GLN A 344 -11.544 2.949 -0.588 1.00 1.72 H new ATOM 0 HB3 GLN A 344 -12.962 1.965 -0.892 1.00 1.72 H new ATOM 0 HG2 GLN A 344 -13.887 2.417 1.242 1.00 1.96 H new ATOM 0 HG3 GLN A 344 -12.359 2.978 1.889 1.00 1.96 H new ATOM 0 HE21 GLN A 344 -15.109 3.770 -0.176 1.00 3.10 H new ATOM 0 HE22 GLN A 344 -14.799 5.508 -0.262 1.00 3.10 H new ATOM 481 N ASN A 345 -11.845 -1.124 1.411 1.00 2.06 N ATOM 482 CA ASN A 345 -12.599 -2.265 1.910 1.00 2.81 C ATOM 483 C ASN A 345 -13.451 -1.840 3.103 1.00 3.10 C ATOM 484 O ASN A 345 -14.441 -2.486 3.452 1.00 3.64 O ATOM 485 CB ASN A 345 -11.616 -3.375 2.295 1.00 3.55 C ATOM 486 CG ASN A 345 -12.255 -4.502 3.085 1.00 4.38 C ATOM 487 OD1 ASN A 345 -12.280 -4.477 4.316 1.00 4.89 O ATOM 488 ND2 ASN A 345 -12.773 -5.498 2.387 1.00 4.81 N ATOM 0 H ASN A 345 -10.839 -1.190 1.568 1.00 2.06 H new ATOM 0 HA ASN A 345 -13.271 -2.642 1.139 1.00 2.81 H new ATOM 0 HB2 ASN A 345 -11.170 -3.785 1.389 1.00 3.55 H new ATOM 0 HB3 ASN A 345 -10.806 -2.944 2.883 1.00 3.55 H new ATOM 0 HD21 ASN A 345 -13.213 -6.283 2.868 1.00 4.81 H new ATOM 0 HD22 ASN A 345 -12.732 -5.482 1.368 1.00 4.81 H new ATOM 495 N GLN A 346 -13.066 -0.714 3.688 1.00 3.07 N ATOM 496 CA GLN A 346 -13.795 -0.112 4.797 1.00 3.79 C ATOM 497 C GLN A 346 -15.209 0.254 4.358 1.00 3.92 C ATOM 498 O GLN A 346 -16.122 0.350 5.181 1.00 4.60 O ATOM 499 CB GLN A 346 -13.080 1.142 5.319 1.00 4.24 C ATOM 500 CG GLN A 346 -11.671 0.898 5.852 1.00 4.90 C ATOM 501 CD GLN A 346 -10.597 0.989 4.778 1.00 5.50 C ATOM 502 OE1 GLN A 346 -10.833 0.688 3.610 1.00 6.02 O ATOM 503 NE2 GLN A 346 -9.408 1.414 5.169 1.00 5.81 N ATOM 0 H GLN A 346 -12.237 -0.191 3.406 1.00 3.07 H new ATOM 0 HA GLN A 346 -13.839 -0.844 5.603 1.00 3.79 H new ATOM 0 HB2 GLN A 346 -13.027 1.875 4.514 1.00 4.24 H new ATOM 0 HB3 GLN A 346 -13.683 1.583 6.113 1.00 4.24 H new ATOM 0 HG2 GLN A 346 -11.455 1.625 6.635 1.00 4.90 H new ATOM 0 HG3 GLN A 346 -11.631 -0.088 6.314 1.00 4.90 H new ATOM 0 HE21 GLN A 346 -9.249 1.655 6.147 1.00 5.81 H new ATOM 0 HE22 GLN A 346 -8.650 1.501 4.492 1.00 5.81 H new ATOM 512 N SER A 347 -15.353 0.490 3.050 1.00 3.53 N ATOM 513 CA SER A 347 -16.625 0.870 2.435 1.00 4.14 C ATOM 514 C SER A 347 -16.990 2.311 2.785 1.00 4.67 C ATOM 515 O SER A 347 -17.354 2.619 3.920 1.00 5.05 O ATOM 516 CB SER A 347 -17.746 -0.087 2.859 1.00 4.47 C ATOM 517 OG SER A 347 -17.395 -1.437 2.590 1.00 4.68 O ATOM 0 H SER A 347 -14.583 0.422 2.385 1.00 3.53 H new ATOM 0 HA SER A 347 -16.508 0.800 1.354 1.00 4.14 H new ATOM 0 HB2 SER A 347 -17.949 0.034 3.923 1.00 4.47 H new ATOM 0 HB3 SER A 347 -18.664 0.166 2.329 1.00 4.47 H new ATOM 0 HG SER A 347 -18.125 -2.027 2.871 1.00 4.68 H new ATOM 523 N GLY A 348 -16.878 3.189 1.796 1.00 5.14 N ATOM 524 CA GLY A 348 -17.199 4.592 1.999 1.00 6.09 C ATOM 525 C GLY A 348 -18.688 4.832 2.173 1.00 6.66 C ATOM 526 O GLY A 348 -19.100 5.443 3.162 1.00 7.18 O ATOM 0 H GLY A 348 -16.569 2.955 0.852 1.00 5.14 H new ATOM 0 HA2 GLY A 348 -16.671 4.958 2.879 1.00 6.09 H new ATOM 0 HA3 GLY A 348 -16.839 5.170 1.148 1.00 6.09 H new ATOM 530 N PRO A 349 -19.528 4.374 1.220 1.00 6.87 N ATOM 531 CA PRO A 349 -20.986 4.442 1.356 1.00 7.59 C ATOM 532 C PRO A 349 -21.471 3.717 2.608 1.00 7.24 C ATOM 533 O PRO A 349 -21.091 2.574 2.867 1.00 6.93 O ATOM 534 CB PRO A 349 -21.507 3.743 0.095 1.00 8.09 C ATOM 535 CG PRO A 349 -20.393 3.841 -0.883 1.00 7.65 C ATOM 536 CD PRO A 349 -19.129 3.789 -0.075 1.00 6.81 C ATOM 0 HA PRO A 349 -21.340 5.468 1.456 1.00 7.59 H new ATOM 0 HB2 PRO A 349 -21.765 2.703 0.297 1.00 8.09 H new ATOM 0 HB3 PRO A 349 -22.408 4.227 -0.282 1.00 8.09 H new ATOM 0 HG2 PRO A 349 -20.431 3.022 -1.601 1.00 7.65 H new ATOM 0 HG3 PRO A 349 -20.454 4.768 -1.453 1.00 7.65 H new ATOM 0 HD2 PRO A 349 -18.767 2.767 0.040 1.00 6.81 H new ATOM 0 HD3 PRO A 349 -18.328 4.360 -0.544 1.00 6.81 H new ATOM 544 N SER A 350 -22.301 4.394 3.384 1.00 7.62 N ATOM 545 CA SER A 350 -22.804 3.845 4.628 1.00 7.69 C ATOM 546 C SER A 350 -23.952 2.876 4.356 1.00 8.06 C ATOM 547 O SER A 350 -24.272 2.027 5.189 1.00 8.21 O ATOM 548 CB SER A 350 -23.270 4.977 5.547 1.00 8.35 C ATOM 549 OG SER A 350 -23.536 4.504 6.858 1.00 8.86 O ATOM 0 H SER A 350 -22.642 5.331 3.170 1.00 7.62 H new ATOM 0 HA SER A 350 -22.001 3.298 5.121 1.00 7.69 H new ATOM 0 HB2 SER A 350 -22.506 5.753 5.587 1.00 8.35 H new ATOM 0 HB3 SER A 350 -24.169 5.436 5.135 1.00 8.35 H new ATOM 0 HG SER A 350 -23.830 5.250 7.422 1.00 8.86 H new ATOM 555 N GLY A 351 -24.567 3.006 3.188 1.00 8.46 N ATOM 556 CA GLY A 351 -25.667 2.140 2.831 1.00 9.04 C ATOM 557 C GLY A 351 -25.201 0.808 2.280 1.00 9.55 C ATOM 558 O GLY A 351 -25.023 -0.147 3.038 1.00 10.03 O ATOM 0 H GLY A 351 -24.321 3.699 2.481 1.00 8.46 H new ATOM 0 HA2 GLY A 351 -26.290 1.969 3.709 1.00 9.04 H new ATOM 0 HA3 GLY A 351 -26.291 2.638 2.089 1.00 9.04 H new ATOM 562 N ASN A 352 -24.991 0.758 0.962 1.00 9.68 N ATOM 563 CA ASN A 352 -24.641 -0.484 0.248 1.00 10.39 C ATOM 564 C ASN A 352 -25.799 -1.481 0.269 1.00 10.64 C ATOM 565 O ASN A 352 -26.339 -1.834 -0.779 1.00 11.07 O ATOM 566 CB ASN A 352 -23.361 -1.122 0.806 1.00 10.83 C ATOM 567 CG ASN A 352 -22.105 -0.429 0.312 1.00 10.91 C ATOM 568 OD1 ASN A 352 -22.081 0.126 -0.789 1.00 11.08 O ATOM 569 ND2 ASN A 352 -21.053 -0.465 1.113 1.00 11.02 N ATOM 0 H ASN A 352 -25.058 1.575 0.355 1.00 9.68 H new ATOM 0 HA ASN A 352 -24.447 -0.212 -0.789 1.00 10.39 H new ATOM 0 HB2 ASN A 352 -23.387 -1.088 1.895 1.00 10.83 H new ATOM 0 HB3 ASN A 352 -23.328 -2.173 0.521 1.00 10.83 H new ATOM 0 HD21 ASN A 352 -20.179 -0.023 0.828 1.00 11.02 H new ATOM 0 HD22 ASN A 352 -21.115 -0.935 2.016 1.00 11.02 H new ATOM 576 N ASN A 353 -26.185 -1.919 1.460 1.00 10.57 N ATOM 577 CA ASN A 353 -27.361 -2.761 1.625 1.00 11.04 C ATOM 578 C ASN A 353 -28.602 -1.873 1.567 1.00 11.52 C ATOM 579 O ASN A 353 -29.285 -1.647 2.567 1.00 11.95 O ATOM 580 CB ASN A 353 -27.290 -3.528 2.956 1.00 11.31 C ATOM 581 CG ASN A 353 -28.401 -4.557 3.112 1.00 11.74 C ATOM 582 OD1 ASN A 353 -29.477 -4.259 3.631 1.00 11.95 O ATOM 583 ND2 ASN A 353 -28.145 -5.782 2.678 1.00 12.07 N ATOM 0 H ASN A 353 -25.698 -1.703 2.330 1.00 10.57 H new ATOM 0 HA ASN A 353 -27.407 -3.501 0.826 1.00 11.04 H new ATOM 0 HB2 ASN A 353 -26.325 -4.030 3.028 1.00 11.31 H new ATOM 0 HB3 ASN A 353 -27.342 -2.818 3.781 1.00 11.31 H new ATOM 0 HD21 ASN A 353 -28.850 -6.513 2.769 1.00 12.07 H new ATOM 0 HD22 ASN A 353 -27.242 -5.994 2.253 1.00 12.07 H new ATOM 590 N GLN A 354 -28.855 -1.340 0.384 1.00 11.62 N ATOM 591 CA GLN A 354 -29.936 -0.395 0.170 1.00 12.24 C ATOM 592 C GLN A 354 -30.597 -0.694 -1.168 1.00 12.69 C ATOM 593 O GLN A 354 -29.922 -1.017 -2.143 1.00 12.83 O ATOM 594 CB GLN A 354 -29.377 1.033 0.190 1.00 12.40 C ATOM 595 CG GLN A 354 -30.439 2.120 0.120 1.00 12.50 C ATOM 596 CD GLN A 354 -29.858 3.519 0.231 1.00 12.74 C ATOM 597 OE1 GLN A 354 -28.634 3.707 -0.254 1.00 13.09 O flip ATOM 598 NE2 GLN A 354 -30.512 4.430 0.737 1.00 12.76 N flip ATOM 0 H GLN A 354 -28.316 -1.551 -0.456 1.00 11.62 H new ATOM 0 HA GLN A 354 -30.679 -0.487 0.962 1.00 12.24 H new ATOM 0 HB2 GLN A 354 -28.793 1.170 1.100 1.00 12.40 H new ATOM 0 HB3 GLN A 354 -28.693 1.155 -0.649 1.00 12.40 H new ATOM 0 HG2 GLN A 354 -30.982 2.031 -0.821 1.00 12.50 H new ATOM 0 HG3 GLN A 354 -31.162 1.967 0.921 1.00 12.50 H new ATOM 0 HE21 GLN A 354 -31.448 4.246 1.098 1.00 12.76 H new ATOM 0 HE22 GLN A 354 -30.118 5.369 0.795 1.00 12.76 H new ATOM 607 N ASN A 355 -31.920 -0.587 -1.194 1.00 13.09 N ATOM 608 CA ASN A 355 -32.707 -0.947 -2.367 1.00 13.71 C ATOM 609 C ASN A 355 -32.402 -0.033 -3.550 1.00 14.13 C ATOM 610 O ASN A 355 -32.310 -0.494 -4.686 1.00 14.46 O ATOM 611 CB ASN A 355 -34.207 -0.909 -2.043 1.00 14.16 C ATOM 612 CG ASN A 355 -34.715 0.475 -1.660 1.00 14.18 C ATOM 613 OD1 ASN A 355 -33.999 1.281 -1.061 1.00 14.03 O ATOM 614 ND2 ASN A 355 -35.959 0.755 -2.007 1.00 14.53 N ATOM 0 H ASN A 355 -32.475 -0.250 -0.407 1.00 13.09 H new ATOM 0 HA ASN A 355 -32.430 -1.963 -2.648 1.00 13.71 H new ATOM 0 HB2 ASN A 355 -34.766 -1.265 -2.908 1.00 14.16 H new ATOM 0 HB3 ASN A 355 -34.411 -1.600 -1.225 1.00 14.16 H new ATOM 0 HD21 ASN A 355 -36.359 1.665 -1.780 1.00 14.53 H new ATOM 0 HD22 ASN A 355 -36.519 0.061 -2.502 1.00 14.53 H new ATOM 621 N GLN A 356 -32.247 1.256 -3.279 1.00 14.28 N ATOM 622 CA GLN A 356 -31.931 2.239 -4.310 1.00 14.82 C ATOM 623 C GLN A 356 -30.777 3.116 -3.846 1.00 15.14 C ATOM 624 O GLN A 356 -30.847 3.710 -2.771 1.00 15.47 O ATOM 625 CB GLN A 356 -33.152 3.123 -4.608 1.00 15.22 C ATOM 626 CG GLN A 356 -34.342 2.377 -5.188 1.00 15.23 C ATOM 627 CD GLN A 356 -34.098 1.888 -6.603 1.00 15.68 C ATOM 628 OE1 GLN A 356 -34.425 2.716 -7.581 1.00 15.74 O flip ATOM 629 NE2 GLN A 356 -33.619 0.779 -6.818 1.00 16.15 N flip ATOM 0 H GLN A 356 -32.336 1.650 -2.342 1.00 14.28 H new ATOM 0 HA GLN A 356 -31.650 1.708 -5.219 1.00 14.82 H new ATOM 0 HB2 GLN A 356 -33.462 3.616 -3.686 1.00 15.22 H new ATOM 0 HB3 GLN A 356 -32.856 3.907 -5.305 1.00 15.22 H new ATOM 0 HG2 GLN A 356 -34.577 1.525 -4.550 1.00 15.23 H new ATOM 0 HG3 GLN A 356 -35.214 3.031 -5.180 1.00 15.23 H new ATOM 0 HE21 GLN A 356 -33.379 0.167 -6.038 1.00 16.15 H new ATOM 0 HE22 GLN A 356 -33.461 0.469 -7.777 1.00 16.15 H new ATOM 638 N GLY A 357 -29.721 3.196 -4.640 1.00 15.18 N ATOM 639 CA GLY A 357 -28.586 4.013 -4.263 1.00 15.65 C ATOM 640 C GLY A 357 -27.331 3.682 -5.045 1.00 15.86 C ATOM 641 O GLY A 357 -26.402 3.076 -4.510 1.00 15.64 O ATOM 0 H GLY A 357 -29.629 2.713 -5.534 1.00 15.18 H new ATOM 0 HA2 GLY A 357 -28.835 5.063 -4.415 1.00 15.65 H new ATOM 0 HA3 GLY A 357 -28.389 3.883 -3.199 1.00 15.65 H new ATOM 645 N ASN A 358 -27.306 4.071 -6.311 1.00 16.44 N ATOM 646 CA ASN A 358 -26.118 3.900 -7.144 1.00 16.86 C ATOM 647 C ASN A 358 -25.859 5.197 -7.914 1.00 17.18 C ATOM 648 O ASN A 358 -25.127 5.223 -8.902 1.00 17.48 O ATOM 649 CB ASN A 358 -26.291 2.712 -8.108 1.00 17.22 C ATOM 650 CG ASN A 358 -24.966 2.081 -8.546 1.00 17.53 C ATOM 651 OD1 ASN A 358 -24.880 0.865 -8.738 1.00 17.56 O ATOM 652 ND2 ASN A 358 -23.930 2.889 -8.719 1.00 17.90 N ATOM 0 H ASN A 358 -28.095 4.508 -6.788 1.00 16.44 H new ATOM 0 HA ASN A 358 -25.259 3.681 -6.509 1.00 16.86 H new ATOM 0 HB2 ASN A 358 -26.905 1.951 -7.627 1.00 17.22 H new ATOM 0 HB3 ASN A 358 -26.834 3.048 -8.992 1.00 17.22 H new ATOM 0 HD21 ASN A 358 -23.032 2.510 -9.019 1.00 17.90 H new ATOM 0 HD22 ASN A 358 -24.031 3.890 -8.553 1.00 17.90 H new ATOM 659 N MET A 359 -26.492 6.271 -7.443 1.00 17.25 N ATOM 660 CA MET A 359 -26.345 7.603 -8.031 1.00 17.69 C ATOM 661 C MET A 359 -26.868 7.626 -9.464 1.00 18.15 C ATOM 662 O MET A 359 -26.444 8.443 -10.278 1.00 18.48 O ATOM 663 CB MET A 359 -24.885 8.068 -7.980 1.00 17.88 C ATOM 664 CG MET A 359 -24.317 8.147 -6.570 1.00 17.66 C ATOM 665 SD MET A 359 -25.245 9.273 -5.508 1.00 17.52 S ATOM 666 CE MET A 359 -24.401 9.041 -3.947 1.00 17.09 C ATOM 0 H MET A 359 -27.122 6.242 -6.642 1.00 17.25 H new ATOM 0 HA MET A 359 -26.942 8.297 -7.440 1.00 17.69 H new ATOM 0 HB2 MET A 359 -24.274 7.385 -8.570 1.00 17.88 H new ATOM 0 HB3 MET A 359 -24.809 9.049 -8.448 1.00 17.88 H new ATOM 0 HG2 MET A 359 -24.318 7.152 -6.126 1.00 17.66 H new ATOM 0 HG3 MET A 359 -23.278 8.473 -6.619 1.00 17.66 H new ATOM 0 HE1 MET A 359 -24.861 9.673 -3.187 1.00 17.09 H new ATOM 0 HE2 MET A 359 -24.476 7.996 -3.645 1.00 17.09 H new ATOM 0 HE3 MET A 359 -23.351 9.313 -4.057 1.00 17.09 H new ATOM 676 N GLN A 360 -27.792 6.725 -9.758 1.00 18.31 N ATOM 677 CA GLN A 360 -28.425 6.669 -11.061 1.00 18.89 C ATOM 678 C GLN A 360 -29.846 6.135 -10.919 1.00 19.30 C ATOM 679 O GLN A 360 -30.785 6.963 -10.882 1.00 19.39 O ATOM 680 CB GLN A 360 -27.606 5.812 -12.038 1.00 19.26 C ATOM 681 CG GLN A 360 -28.212 5.738 -13.431 1.00 19.39 C ATOM 682 CD GLN A 360 -27.282 5.116 -14.456 1.00 19.60 C ATOM 683 OE1 GLN A 360 -27.342 5.444 -15.640 1.00 19.85 O ATOM 684 NE2 GLN A 360 -26.420 4.211 -14.018 1.00 19.63 N ATOM 685 OXT GLN A 360 -30.018 4.910 -10.792 1.00 19.65 O ATOM 0 H GLN A 360 -28.121 6.017 -9.102 1.00 18.31 H new ATOM 0 HA GLN A 360 -28.469 7.677 -11.474 1.00 18.89 H new ATOM 0 HB2 GLN A 360 -26.598 6.220 -12.110 1.00 19.26 H new ATOM 0 HB3 GLN A 360 -27.514 4.803 -11.636 1.00 19.26 H new ATOM 0 HG2 GLN A 360 -29.134 5.159 -13.388 1.00 19.39 H new ATOM 0 HG3 GLN A 360 -28.481 6.743 -13.757 1.00 19.39 H new ATOM 0 HE21 GLN A 360 -26.399 3.964 -13.029 1.00 19.63 H new ATOM 0 HE22 GLN A 360 -25.777 3.761 -14.670 1.00 19.63 H new TER 694 GLN A 360