USER MOD reduce.3.24.130724 H: found=0, std=0, add=336, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 339 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 354 GLN : amide:sc= -2.39! C(o=-2.2!,f=-4!) USER MOD Set 1.2: A 358 ASN : amide:sc= 0.161 K(o=-2.2,f=-5.2) USER MOD Set 2.1: A 337 MET CE :methyl 164:sc= -0.136 (180deg=-0.595) USER MOD Set 2.2: A 339 MET CE :methyl 165:sc= -0.0705 (180deg=-0.427) USER MOD Single : A 311 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 312 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 317 SER OG : rot 180:sc= 0 USER MOD Single : A 319 ASN : amide:sc= -0.0148 K(o=-0.015,f=-1.2!) USER MOD Single : A 322 MET CE :methyl -160:sc= -0.151 (180deg=-0.736) USER MOD Single : A 323 MET CE :methyl -163:sc= -0.072 (180deg=-0.504) USER MOD Single : A 327 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.094) USER MOD Single : A 331 GLN : amide:sc= -1.79 K(o=-1.8,f=-2.9) 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 176:sc= 0 (180deg=-0.0572) USER MOD Single : A 342 SER OG : rot 180:sc= 0 USER MOD Single : A 344 GLN : amide:sc= -0.465 X(o=-0.47,f=-0.21) USER MOD Single : A 345 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 346 GLN :FLIP amide:sc= -0.0787 F(o=-1.6!,f=-0.079) USER MOD Single : A 347 SER OG : rot 180:sc= 0.0257 USER MOD Single : A 350 SER OG : rot 180:sc= 0.00325 USER MOD Single : A 352 ASN : amide:sc= -0.016 K(o=-0.016,f=-1.6!) USER MOD Single : A 353 ASN : amide:sc= -0.0826 K(o=-0.083,f=-1.1) USER MOD Single : A 355 ASN : amide:sc= -0.144 K(o=-0.14,f=-2.4!) USER MOD Single : A 356 GLN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 359 MET CE :methyl -159:sc= -0.181 (180deg=-0.866) USER MOD Single : A 360 GLN : amide:sc= -0.0644 K(o=-0.064,f=-0.73) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 311 -37.968 -9.563 9.267 1.00 15.10 N ATOM 2 CA MET A 311 -36.823 -8.809 9.828 1.00 14.91 C ATOM 3 C MET A 311 -35.990 -8.201 8.706 1.00 14.01 C ATOM 4 O MET A 311 -34.784 -8.444 8.606 1.00 13.92 O ATOM 5 CB MET A 311 -35.951 -9.731 10.692 1.00 15.49 C ATOM 6 CG MET A 311 -36.695 -10.353 11.867 1.00 16.12 C ATOM 7 SD MET A 311 -35.669 -11.473 12.844 1.00 16.98 S ATOM 8 CE MET A 311 -36.854 -12.034 14.065 1.00 17.92 C ATOM 0 HA MET A 311 -37.210 -8.004 10.453 1.00 14.91 H new ATOM 0 HB2 MET A 311 -35.548 -10.527 10.066 1.00 15.49 H new ATOM 0 HB3 MET A 311 -35.101 -9.163 11.071 1.00 15.49 H new ATOM 0 HG2 MET A 311 -37.071 -9.559 12.512 1.00 16.12 H new ATOM 0 HG3 MET A 311 -37.562 -10.898 11.493 1.00 16.12 H new ATOM 0 HE1 MET A 311 -36.371 -12.735 14.745 1.00 17.92 H new ATOM 0 HE2 MET A 311 -37.227 -11.179 14.629 1.00 17.92 H new ATOM 0 HE3 MET A 311 -37.686 -12.529 13.564 1.00 17.92 H new ATOM 20 N ASN A 312 -36.640 -7.410 7.863 1.00 13.49 N ATOM 21 CA ASN A 312 -35.979 -6.804 6.714 1.00 12.74 C ATOM 22 C ASN A 312 -35.587 -5.372 7.034 1.00 12.32 C ATOM 23 O ASN A 312 -36.446 -4.494 7.150 1.00 12.29 O ATOM 24 CB ASN A 312 -36.895 -6.830 5.486 1.00 12.63 C ATOM 25 CG ASN A 312 -37.228 -8.236 5.031 1.00 12.56 C ATOM 26 OD1 ASN A 312 -36.436 -9.166 5.199 1.00 12.43 O ATOM 27 ND2 ASN A 312 -38.408 -8.400 4.455 1.00 12.87 N ATOM 0 H ASN A 312 -37.628 -7.172 7.953 1.00 13.49 H new ATOM 0 HA ASN A 312 -35.082 -7.381 6.491 1.00 12.74 H new ATOM 0 HB2 ASN A 312 -37.819 -6.299 5.716 1.00 12.63 H new ATOM 0 HB3 ASN A 312 -36.414 -6.293 4.668 1.00 12.63 H new ATOM 0 HD21 ASN A 312 -38.693 -9.324 4.130 1.00 12.87 H new ATOM 0 HD22 ASN A 312 -39.033 -7.602 4.336 1.00 12.87 H new ATOM 34 N PHE A 313 -34.295 -5.142 7.190 1.00 12.16 N ATOM 35 CA PHE A 313 -33.788 -3.822 7.528 1.00 11.96 C ATOM 36 C PHE A 313 -32.738 -3.386 6.513 1.00 11.11 C ATOM 37 O PHE A 313 -31.617 -3.891 6.505 1.00 11.29 O ATOM 38 CB PHE A 313 -33.197 -3.823 8.943 1.00 12.55 C ATOM 39 CG PHE A 313 -34.188 -4.210 10.008 1.00 13.17 C ATOM 40 CD1 PHE A 313 -35.138 -3.305 10.453 1.00 13.57 C ATOM 41 CD2 PHE A 313 -34.175 -5.484 10.555 1.00 13.49 C ATOM 42 CE1 PHE A 313 -36.053 -3.662 11.424 1.00 14.27 C ATOM 43 CE2 PHE A 313 -35.089 -5.845 11.525 1.00 14.21 C ATOM 44 CZ PHE A 313 -36.029 -4.934 11.959 1.00 14.59 C ATOM 0 H PHE A 313 -33.574 -5.856 7.087 1.00 12.16 H new ATOM 0 HA PHE A 313 -34.615 -3.113 7.500 1.00 11.96 H new ATOM 0 HB2 PHE A 313 -32.353 -4.512 8.975 1.00 12.55 H new ATOM 0 HB3 PHE A 313 -32.806 -2.830 9.165 1.00 12.55 H new ATOM 0 HD1 PHE A 313 -35.163 -2.309 10.036 1.00 13.57 H new ATOM 0 HD2 PHE A 313 -33.442 -6.202 10.219 1.00 13.49 H new ATOM 0 HE1 PHE A 313 -36.787 -2.946 11.764 1.00 14.27 H new ATOM 0 HE2 PHE A 313 -35.068 -6.840 11.944 1.00 14.21 H new ATOM 0 HZ PHE A 313 -36.745 -5.216 12.717 1.00 14.59 H new ATOM 54 N GLY A 314 -33.115 -2.454 5.654 1.00 10.31 N ATOM 55 CA GLY A 314 -32.222 -2.001 4.605 1.00 9.52 C ATOM 56 C GLY A 314 -32.593 -2.602 3.268 1.00 8.89 C ATOM 57 O GLY A 314 -31.806 -2.579 2.321 1.00 8.22 O ATOM 0 H GLY A 314 -34.028 -2.000 5.663 1.00 10.31 H new ATOM 0 HA2 GLY A 314 -32.257 -0.914 4.539 1.00 9.52 H new ATOM 0 HA3 GLY A 314 -31.196 -2.272 4.856 1.00 9.52 H new ATOM 61 N ALA A 315 -33.807 -3.134 3.188 1.00 9.30 N ATOM 62 CA ALA A 315 -34.275 -3.821 1.993 1.00 9.10 C ATOM 63 C ALA A 315 -34.595 -2.840 0.868 1.00 8.51 C ATOM 64 O ALA A 315 -34.586 -3.205 -0.304 1.00 8.20 O ATOM 65 CB ALA A 315 -35.496 -4.667 2.319 1.00 10.04 C ATOM 0 H ALA A 315 -34.490 -3.101 3.945 1.00 9.30 H new ATOM 0 HA ALA A 315 -33.471 -4.470 1.646 1.00 9.10 H new ATOM 0 HB1 ALA A 315 -35.837 -5.176 1.418 1.00 10.04 H new ATOM 0 HB2 ALA A 315 -35.235 -5.406 3.076 1.00 10.04 H new ATOM 0 HB3 ALA A 315 -36.292 -4.026 2.697 1.00 10.04 H new ATOM 71 N PHE A 316 -34.874 -1.593 1.223 1.00 8.63 N ATOM 72 CA PHE A 316 -35.264 -0.598 0.235 1.00 8.47 C ATOM 73 C PHE A 316 -34.042 0.036 -0.419 1.00 7.73 C ATOM 74 O PHE A 316 -34.169 0.908 -1.278 1.00 7.72 O ATOM 75 CB PHE A 316 -36.143 0.477 0.877 1.00 9.29 C ATOM 76 CG PHE A 316 -37.404 -0.068 1.486 1.00 10.04 C ATOM 77 CD1 PHE A 316 -38.460 -0.464 0.684 1.00 10.61 C ATOM 78 CD2 PHE A 316 -37.528 -0.187 2.861 1.00 10.37 C ATOM 79 CE1 PHE A 316 -39.621 -0.965 1.240 1.00 11.44 C ATOM 80 CE2 PHE A 316 -38.686 -0.686 3.424 1.00 11.22 C ATOM 81 CZ PHE A 316 -39.734 -1.077 2.612 1.00 11.73 C ATOM 0 H PHE A 316 -34.838 -1.248 2.182 1.00 8.63 H new ATOM 0 HA PHE A 316 -35.839 -1.103 -0.542 1.00 8.47 H new ATOM 0 HB2 PHE A 316 -35.569 0.992 1.648 1.00 9.29 H new ATOM 0 HB3 PHE A 316 -36.404 1.220 0.123 1.00 9.29 H new ATOM 0 HD1 PHE A 316 -38.375 -0.380 -0.389 1.00 10.61 H new ATOM 0 HD2 PHE A 316 -36.710 0.114 3.499 1.00 10.37 H new ATOM 0 HE1 PHE A 316 -40.439 -1.269 0.603 1.00 11.44 H new ATOM 0 HE2 PHE A 316 -38.773 -0.771 4.497 1.00 11.22 H new ATOM 0 HZ PHE A 316 -40.640 -1.470 3.050 1.00 11.73 H new ATOM 91 N SER A 317 -32.863 -0.409 -0.013 1.00 7.38 N ATOM 92 CA SER A 317 -31.627 0.071 -0.605 1.00 6.88 C ATOM 93 C SER A 317 -31.370 -0.674 -1.914 1.00 6.15 C ATOM 94 O SER A 317 -31.318 -1.908 -1.937 1.00 6.12 O ATOM 95 CB SER A 317 -30.467 -0.135 0.374 1.00 7.20 C ATOM 96 OG SER A 317 -29.292 0.529 -0.064 1.00 8.01 O ATOM 0 H SER A 317 -32.737 -1.102 0.725 1.00 7.38 H new ATOM 0 HA SER A 317 -31.710 1.137 -0.818 1.00 6.88 H new ATOM 0 HB2 SER A 317 -30.750 0.237 1.359 1.00 7.20 H new ATOM 0 HB3 SER A 317 -30.265 -1.201 0.481 1.00 7.20 H new ATOM 0 HG SER A 317 -28.571 0.379 0.583 1.00 8.01 H new ATOM 102 N ILE A 318 -31.227 0.070 -2.999 1.00 5.89 N ATOM 103 CA ILE A 318 -31.046 -0.537 -4.313 1.00 5.46 C ATOM 104 C ILE A 318 -29.587 -0.462 -4.755 1.00 5.05 C ATOM 105 O ILE A 318 -29.047 -1.417 -5.317 1.00 5.20 O ATOM 106 CB ILE A 318 -31.941 0.141 -5.375 1.00 5.77 C ATOM 107 CG1 ILE A 318 -33.416 0.050 -4.961 1.00 6.39 C ATOM 108 CG2 ILE A 318 -31.728 -0.495 -6.747 1.00 5.87 C ATOM 109 CD1 ILE A 318 -34.366 0.728 -5.927 1.00 6.93 C ATOM 0 H ILE A 318 -31.232 1.090 -2.999 1.00 5.89 H new ATOM 0 HA ILE A 318 -31.339 -1.583 -4.225 1.00 5.46 H new ATOM 0 HB ILE A 318 -31.662 1.193 -5.442 1.00 5.77 H new ATOM 0 HG12 ILE A 318 -33.694 -1.000 -4.870 1.00 6.39 H new ATOM 0 HG13 ILE A 318 -33.535 0.498 -3.974 1.00 6.39 H new ATOM 0 HG21 ILE A 318 -32.368 -0.003 -7.480 1.00 5.87 H new ATOM 0 HG22 ILE A 318 -30.685 -0.382 -7.042 1.00 5.87 H new ATOM 0 HG23 ILE A 318 -31.979 -1.555 -6.700 1.00 5.87 H new ATOM 0 HD11 ILE A 318 -35.389 0.621 -5.567 1.00 6.93 H new ATOM 0 HD12 ILE A 318 -34.116 1.786 -6.001 1.00 6.93 H new ATOM 0 HD13 ILE A 318 -34.277 0.265 -6.910 1.00 6.93 H new ATOM 121 N ASN A 319 -28.954 0.668 -4.491 1.00 4.90 N ATOM 122 CA ASN A 319 -27.576 0.885 -4.904 1.00 4.82 C ATOM 123 C ASN A 319 -26.613 0.576 -3.766 1.00 4.38 C ATOM 124 O ASN A 319 -26.879 0.900 -2.609 1.00 4.39 O ATOM 125 CB ASN A 319 -27.381 2.326 -5.390 1.00 5.38 C ATOM 126 CG ASN A 319 -28.082 2.580 -6.711 1.00 6.06 C ATOM 127 OD1 ASN A 319 -28.263 1.663 -7.512 1.00 6.44 O ATOM 128 ND2 ASN A 319 -28.476 3.818 -6.956 1.00 6.59 N ATOM 0 H ASN A 319 -29.373 1.452 -3.991 1.00 4.90 H new ATOM 0 HA ASN A 319 -27.360 0.206 -5.729 1.00 4.82 H new ATOM 0 HB2 ASN A 319 -27.763 3.017 -4.638 1.00 5.38 H new ATOM 0 HB3 ASN A 319 -26.316 2.531 -5.499 1.00 5.38 H new ATOM 0 HD21 ASN A 319 -28.947 4.039 -7.833 1.00 6.59 H new ATOM 0 HD22 ASN A 319 -28.309 4.552 -6.268 1.00 6.59 H new ATOM 135 N PRO A 320 -25.482 -0.078 -4.087 1.00 4.41 N ATOM 136 CA PRO A 320 -24.457 -0.439 -3.104 1.00 4.37 C ATOM 137 C PRO A 320 -23.935 0.768 -2.331 1.00 4.34 C ATOM 138 O PRO A 320 -23.500 1.758 -2.919 1.00 4.65 O ATOM 139 CB PRO A 320 -23.337 -1.048 -3.953 1.00 4.92 C ATOM 140 CG PRO A 320 -24.004 -1.498 -5.203 1.00 5.28 C ATOM 141 CD PRO A 320 -25.124 -0.526 -5.446 1.00 4.99 C ATOM 0 HA PRO A 320 -24.852 -1.115 -2.345 1.00 4.37 H new ATOM 0 HB2 PRO A 320 -22.558 -0.315 -4.163 1.00 4.92 H new ATOM 0 HB3 PRO A 320 -22.860 -1.882 -3.438 1.00 4.92 H new ATOM 0 HG2 PRO A 320 -23.304 -1.504 -6.039 1.00 5.28 H new ATOM 0 HG3 PRO A 320 -24.385 -2.514 -5.099 1.00 5.28 H new ATOM 0 HD2 PRO A 320 -24.806 0.306 -6.074 1.00 4.99 H new ATOM 0 HD3 PRO A 320 -25.967 -1.000 -5.949 1.00 4.99 H new ATOM 149 N ALA A 321 -23.986 0.678 -1.012 1.00 4.38 N ATOM 150 CA ALA A 321 -23.524 1.755 -0.151 1.00 4.73 C ATOM 151 C ALA A 321 -22.777 1.180 1.041 1.00 4.87 C ATOM 152 O ALA A 321 -21.647 1.569 1.335 1.00 4.83 O ATOM 153 CB ALA A 321 -24.698 2.601 0.315 1.00 5.47 C ATOM 0 H ALA A 321 -24.345 -0.135 -0.512 1.00 4.38 H new ATOM 0 HA ALA A 321 -22.845 2.393 -0.717 1.00 4.73 H new ATOM 0 HB1 ALA A 321 -24.336 3.403 0.959 1.00 5.47 H new ATOM 0 HB2 ALA A 321 -25.203 3.030 -0.550 1.00 5.47 H new ATOM 0 HB3 ALA A 321 -25.398 1.977 0.871 1.00 5.47 H new ATOM 159 N MET A 322 -23.412 0.213 1.690 1.00 5.24 N ATOM 160 CA MET A 322 -22.832 -0.461 2.842 1.00 5.76 C ATOM 161 C MET A 322 -21.569 -1.210 2.442 1.00 5.34 C ATOM 162 O MET A 322 -20.589 -1.239 3.183 1.00 5.57 O ATOM 163 CB MET A 322 -23.853 -1.435 3.429 1.00 6.52 C ATOM 164 CG MET A 322 -23.330 -2.263 4.588 1.00 7.25 C ATOM 165 SD MET A 322 -24.548 -3.462 5.170 1.00 8.01 S ATOM 166 CE MET A 322 -25.905 -2.376 5.622 1.00 8.63 C ATOM 0 H MET A 322 -24.340 -0.125 1.433 1.00 5.24 H new ATOM 0 HA MET A 322 -22.567 0.284 3.592 1.00 5.76 H new ATOM 0 HB2 MET A 322 -24.724 -0.872 3.764 1.00 6.52 H new ATOM 0 HB3 MET A 322 -24.191 -2.107 2.641 1.00 6.52 H new ATOM 0 HG2 MET A 322 -22.425 -2.787 4.280 1.00 7.25 H new ATOM 0 HG3 MET A 322 -23.052 -1.602 5.409 1.00 7.25 H new ATOM 0 HE1 MET A 322 -26.573 -2.895 6.309 1.00 8.63 H new ATOM 0 HE2 MET A 322 -25.510 -1.482 6.105 1.00 8.63 H new ATOM 0 HE3 MET A 322 -26.457 -2.091 4.726 1.00 8.63 H new ATOM 176 N MET A 323 -21.593 -1.790 1.247 1.00 4.92 N ATOM 177 CA MET A 323 -20.434 -2.506 0.723 1.00 4.86 C ATOM 178 C MET A 323 -19.499 -1.544 -0.003 1.00 4.19 C ATOM 179 O MET A 323 -18.298 -1.790 -0.115 1.00 4.23 O ATOM 180 CB MET A 323 -20.878 -3.630 -0.223 1.00 5.17 C ATOM 181 CG MET A 323 -21.590 -3.140 -1.475 1.00 5.75 C ATOM 182 SD MET A 323 -22.240 -4.484 -2.484 1.00 6.61 S ATOM 183 CE MET A 323 -20.738 -5.394 -2.855 1.00 7.32 C ATOM 0 H MET A 323 -22.400 -1.779 0.623 1.00 4.92 H new ATOM 0 HA MET A 323 -19.897 -2.950 1.561 1.00 4.86 H new ATOM 0 HB2 MET A 323 -20.003 -4.209 -0.518 1.00 5.17 H new ATOM 0 HB3 MET A 323 -21.540 -4.306 0.318 1.00 5.17 H new ATOM 0 HG2 MET A 323 -22.408 -2.480 -1.187 1.00 5.75 H new ATOM 0 HG3 MET A 323 -20.897 -2.547 -2.072 1.00 5.75 H new ATOM 0 HE1 MET A 323 -20.916 -6.061 -3.698 1.00 7.32 H new ATOM 0 HE2 MET A 323 -19.942 -4.694 -3.108 1.00 7.32 H new ATOM 0 HE3 MET A 323 -20.443 -5.980 -1.984 1.00 7.32 H new ATOM 193 N ALA A 324 -20.054 -0.435 -0.478 1.00 3.85 N ATOM 194 CA ALA A 324 -19.278 0.548 -1.227 1.00 3.64 C ATOM 195 C ALA A 324 -18.291 1.263 -0.316 1.00 3.69 C ATOM 196 O ALA A 324 -17.161 1.559 -0.714 1.00 3.64 O ATOM 197 CB ALA A 324 -20.199 1.551 -1.905 1.00 3.87 C ATOM 0 H ALA A 324 -21.038 -0.193 -0.358 1.00 3.85 H new ATOM 0 HA ALA A 324 -18.714 0.022 -1.997 1.00 3.64 H new ATOM 0 HB1 ALA A 324 -19.603 2.276 -2.459 1.00 3.87 H new ATOM 0 HB2 ALA A 324 -20.864 1.028 -2.592 1.00 3.87 H new ATOM 0 HB3 ALA A 324 -20.791 2.069 -1.151 1.00 3.87 H new ATOM 203 N ALA A 325 -18.724 1.518 0.913 1.00 4.10 N ATOM 204 CA ALA A 325 -17.897 2.184 1.911 1.00 4.50 C ATOM 205 C ALA A 325 -16.609 1.405 2.172 1.00 4.36 C ATOM 206 O ALA A 325 -15.532 1.991 2.261 1.00 4.39 O ATOM 207 CB ALA A 325 -18.671 2.355 3.209 1.00 5.40 C ATOM 0 H ALA A 325 -19.656 1.269 1.245 1.00 4.10 H new ATOM 0 HA ALA A 325 -17.629 3.166 1.521 1.00 4.50 H new ATOM 0 HB1 ALA A 325 -18.041 2.854 3.945 1.00 5.40 H new ATOM 0 HB2 ALA A 325 -19.561 2.957 3.025 1.00 5.40 H new ATOM 0 HB3 ALA A 325 -18.967 1.377 3.588 1.00 5.40 H new ATOM 213 N ALA A 326 -16.729 0.085 2.268 1.00 4.45 N ATOM 214 CA ALA A 326 -15.578 -0.779 2.519 1.00 4.76 C ATOM 215 C ALA A 326 -14.573 -0.699 1.371 1.00 4.25 C ATOM 216 O ALA A 326 -13.362 -0.628 1.592 1.00 4.39 O ATOM 217 CB ALA A 326 -16.037 -2.219 2.729 1.00 5.39 C ATOM 0 H ALA A 326 -17.615 -0.413 2.176 1.00 4.45 H new ATOM 0 HA ALA A 326 -15.081 -0.433 3.425 1.00 4.76 H new ATOM 0 HB1 ALA A 326 -15.171 -2.854 2.915 1.00 5.39 H new ATOM 0 HB2 ALA A 326 -16.711 -2.265 3.584 1.00 5.39 H new ATOM 0 HB3 ALA A 326 -16.558 -2.569 1.838 1.00 5.39 H new ATOM 223 N GLN A 327 -15.089 -0.686 0.148 1.00 3.89 N ATOM 224 CA GLN A 327 -14.247 -0.641 -1.041 1.00 3.88 C ATOM 225 C GLN A 327 -13.562 0.716 -1.190 1.00 3.54 C ATOM 226 O GLN A 327 -12.525 0.828 -1.840 1.00 3.70 O ATOM 227 CB GLN A 327 -15.076 -0.949 -2.290 1.00 4.13 C ATOM 228 CG GLN A 327 -15.667 -2.351 -2.305 1.00 4.57 C ATOM 229 CD GLN A 327 -14.609 -3.437 -2.299 1.00 5.04 C ATOM 230 OE1 GLN A 327 -14.148 -3.874 -3.352 1.00 5.37 O ATOM 231 NE2 GLN A 327 -14.217 -3.880 -1.114 1.00 5.52 N ATOM 0 H GLN A 327 -16.090 -0.706 -0.047 1.00 3.89 H new ATOM 0 HA GLN A 327 -13.472 -1.399 -0.928 1.00 3.88 H new ATOM 0 HB2 GLN A 327 -15.885 -0.223 -2.366 1.00 4.13 H new ATOM 0 HB3 GLN A 327 -14.449 -0.820 -3.172 1.00 4.13 H new ATOM 0 HG2 GLN A 327 -16.314 -2.476 -1.437 1.00 4.57 H new ATOM 0 HG3 GLN A 327 -16.294 -2.466 -3.189 1.00 4.57 H new ATOM 0 HE21 GLN A 327 -14.625 -3.491 -0.264 1.00 5.52 H new ATOM 0 HE22 GLN A 327 -13.508 -4.610 -1.052 1.00 5.52 H new ATOM 240 N ALA A 328 -14.139 1.740 -0.577 1.00 3.40 N ATOM 241 CA ALA A 328 -13.597 3.088 -0.668 1.00 3.60 C ATOM 242 C ALA A 328 -12.311 3.219 0.142 1.00 3.61 C ATOM 243 O ALA A 328 -11.442 4.030 -0.179 1.00 3.68 O ATOM 244 CB ALA A 328 -14.627 4.100 -0.196 1.00 4.16 C ATOM 0 H ALA A 328 -14.984 1.662 -0.011 1.00 3.40 H new ATOM 0 HA ALA A 328 -13.358 3.289 -1.712 1.00 3.60 H new ATOM 0 HB1 ALA A 328 -14.210 5.104 -0.269 1.00 4.16 H new ATOM 0 HB2 ALA A 328 -15.518 4.031 -0.820 1.00 4.16 H new ATOM 0 HB3 ALA A 328 -14.893 3.892 0.840 1.00 4.16 H new ATOM 250 N ALA A 329 -12.184 2.404 1.184 1.00 3.87 N ATOM 251 CA ALA A 329 -11.024 2.459 2.065 1.00 4.31 C ATOM 252 C ALA A 329 -9.762 1.972 1.360 1.00 4.02 C ATOM 253 O ALA A 329 -8.647 2.293 1.771 1.00 4.18 O ATOM 254 CB ALA A 329 -11.278 1.639 3.317 1.00 5.14 C ATOM 0 H ALA A 329 -12.872 1.696 1.439 1.00 3.87 H new ATOM 0 HA ALA A 329 -10.866 3.500 2.346 1.00 4.31 H new ATOM 0 HB1 ALA A 329 -10.405 1.688 3.967 1.00 5.14 H new ATOM 0 HB2 ALA A 329 -12.145 2.038 3.843 1.00 5.14 H new ATOM 0 HB3 ALA A 329 -11.467 0.602 3.040 1.00 5.14 H new ATOM 260 N LEU A 330 -9.944 1.211 0.288 1.00 3.86 N ATOM 261 CA LEU A 330 -8.831 0.625 -0.442 1.00 4.05 C ATOM 262 C LEU A 330 -7.909 1.702 -1.010 1.00 3.61 C ATOM 263 O LEU A 330 -6.689 1.587 -0.916 1.00 3.83 O ATOM 264 CB LEU A 330 -9.352 -0.267 -1.573 1.00 4.52 C ATOM 265 CG LEU A 330 -8.275 -0.996 -2.381 1.00 5.18 C ATOM 266 CD1 LEU A 330 -7.494 -1.955 -1.494 1.00 5.96 C ATOM 267 CD2 LEU A 330 -8.899 -1.739 -3.553 1.00 5.66 C ATOM 0 H LEU A 330 -10.861 0.985 -0.096 1.00 3.86 H new ATOM 0 HA LEU A 330 -8.254 0.020 0.258 1.00 4.05 H new ATOM 0 HB2 LEU A 330 -10.027 -1.009 -1.147 1.00 4.52 H new ATOM 0 HB3 LEU A 330 -9.942 0.346 -2.255 1.00 4.52 H new ATOM 0 HG LEU A 330 -7.581 -0.253 -2.774 1.00 5.18 H new ATOM 0 HD11 LEU A 330 -6.734 -2.463 -2.088 1.00 5.96 H new ATOM 0 HD12 LEU A 330 -7.014 -1.398 -0.690 1.00 5.96 H new ATOM 0 HD13 LEU A 330 -8.174 -2.693 -1.068 1.00 5.96 H new ATOM 0 HD21 LEU A 330 -8.119 -2.251 -4.116 1.00 5.66 H new ATOM 0 HD22 LEU A 330 -9.617 -2.470 -3.180 1.00 5.66 H new ATOM 0 HD23 LEU A 330 -9.409 -1.029 -4.204 1.00 5.66 H new ATOM 279 N GLN A 331 -8.502 2.753 -1.568 1.00 3.29 N ATOM 280 CA GLN A 331 -7.739 3.827 -2.208 1.00 3.38 C ATOM 281 C GLN A 331 -6.872 4.567 -1.196 1.00 3.36 C ATOM 282 O GLN A 331 -5.839 5.132 -1.547 1.00 3.53 O ATOM 283 CB GLN A 331 -8.672 4.821 -2.912 1.00 3.75 C ATOM 284 CG GLN A 331 -9.349 4.276 -4.165 1.00 4.36 C ATOM 285 CD GLN A 331 -10.352 3.172 -3.876 1.00 4.72 C ATOM 286 OE1 GLN A 331 -10.017 1.989 -3.884 1.00 5.26 O ATOM 287 NE2 GLN A 331 -11.587 3.553 -3.602 1.00 4.88 N ATOM 0 H GLN A 331 -9.513 2.887 -1.591 1.00 3.29 H new ATOM 0 HA GLN A 331 -7.090 3.364 -2.951 1.00 3.38 H new ATOM 0 HB2 GLN A 331 -9.441 5.139 -2.208 1.00 3.75 H new ATOM 0 HB3 GLN A 331 -8.100 5.709 -3.181 1.00 3.75 H new ATOM 0 HG2 GLN A 331 -9.856 5.092 -4.679 1.00 4.36 H new ATOM 0 HG3 GLN A 331 -8.587 3.896 -4.845 1.00 4.36 H new ATOM 0 HE21 GLN A 331 -11.827 4.544 -3.605 1.00 4.88 H new ATOM 0 HE22 GLN A 331 -12.300 2.856 -3.387 1.00 4.88 H new ATOM 296 N SER A 332 -7.296 4.558 0.059 1.00 3.52 N ATOM 297 CA SER A 332 -6.565 5.237 1.115 1.00 4.01 C ATOM 298 C SER A 332 -5.337 4.425 1.532 1.00 4.13 C ATOM 299 O SER A 332 -4.360 4.972 2.051 1.00 4.40 O ATOM 300 CB SER A 332 -7.483 5.456 2.313 1.00 4.82 C ATOM 301 OG SER A 332 -8.716 6.025 1.906 1.00 5.25 O ATOM 0 H SER A 332 -8.145 4.086 0.370 1.00 3.52 H new ATOM 0 HA SER A 332 -6.223 6.202 0.741 1.00 4.01 H new ATOM 0 HB2 SER A 332 -7.664 4.506 2.816 1.00 4.82 H new ATOM 0 HB3 SER A 332 -6.996 6.111 3.035 1.00 4.82 H new ATOM 0 HG SER A 332 -9.290 6.156 2.689 1.00 5.25 H new ATOM 307 N SER A 333 -5.397 3.118 1.307 1.00 4.24 N ATOM 308 CA SER A 333 -4.316 2.235 1.673 1.00 4.87 C ATOM 309 C SER A 333 -3.369 2.029 0.492 1.00 4.69 C ATOM 310 O SER A 333 -2.153 2.153 0.628 1.00 5.07 O ATOM 311 CB SER A 333 -4.877 0.896 2.155 1.00 5.50 C ATOM 312 OG SER A 333 -3.902 0.155 2.870 1.00 6.18 O ATOM 0 H SER A 333 -6.192 2.652 0.870 1.00 4.24 H new ATOM 0 HA SER A 333 -3.750 2.690 2.486 1.00 4.87 H new ATOM 0 HB2 SER A 333 -5.743 1.071 2.793 1.00 5.50 H new ATOM 0 HB3 SER A 333 -5.223 0.315 1.300 1.00 5.50 H new ATOM 0 HG SER A 333 -4.290 -0.695 3.167 1.00 6.18 H new ATOM 318 N TRP A 334 -3.937 1.722 -0.672 1.00 4.36 N ATOM 319 CA TRP A 334 -3.153 1.516 -1.882 1.00 4.61 C ATOM 320 C TRP A 334 -3.765 2.276 -3.045 1.00 4.24 C ATOM 321 O TRP A 334 -4.985 2.379 -3.159 1.00 3.98 O ATOM 322 CB TRP A 334 -3.042 0.029 -2.216 1.00 5.51 C ATOM 323 CG TRP A 334 -1.930 -0.660 -1.480 1.00 6.03 C ATOM 324 CD1 TRP A 334 -1.992 -1.230 -0.245 1.00 6.54 C ATOM 325 CD2 TRP A 334 -0.588 -0.840 -1.944 1.00 6.46 C ATOM 326 NE1 TRP A 334 -0.766 -1.751 0.090 1.00 7.16 N ATOM 327 CE2 TRP A 334 0.111 -1.526 -0.938 1.00 7.11 C ATOM 328 CE3 TRP A 334 0.090 -0.486 -3.115 1.00 6.66 C ATOM 329 CZ2 TRP A 334 1.455 -1.866 -1.066 1.00 7.83 C ATOM 330 CZ3 TRP A 334 1.422 -0.824 -3.241 1.00 7.45 C ATOM 331 CH2 TRP A 334 2.094 -1.508 -2.221 1.00 7.97 C ATOM 0 H TRP A 334 -4.943 1.611 -0.800 1.00 4.36 H new ATOM 0 HA TRP A 334 -2.148 1.899 -1.704 1.00 4.61 H new ATOM 0 HB2 TRP A 334 -3.986 -0.462 -1.978 1.00 5.51 H new ATOM 0 HB3 TRP A 334 -2.885 -0.085 -3.289 1.00 5.51 H new ATOM 0 HD1 TRP A 334 -2.873 -1.267 0.378 1.00 6.54 H new ATOM 0 HE1 TRP A 334 -0.544 -2.229 0.964 1.00 7.16 H new ATOM 0 HE3 TRP A 334 -0.420 0.043 -3.907 1.00 6.66 H new ATOM 0 HZ2 TRP A 334 1.975 -2.394 -0.280 1.00 7.83 H new ATOM 0 HZ3 TRP A 334 1.955 -0.556 -4.141 1.00 7.45 H new ATOM 0 HH2 TRP A 334 3.137 -1.758 -2.349 1.00 7.97 H new ATOM 342 N GLY A 335 -2.912 2.781 -3.918 1.00 4.55 N ATOM 343 CA GLY A 335 -3.362 3.675 -4.962 1.00 4.68 C ATOM 344 C GLY A 335 -3.344 5.108 -4.479 1.00 4.16 C ATOM 345 O GLY A 335 -3.995 5.986 -5.049 1.00 4.48 O ATOM 0 H GLY A 335 -1.911 2.587 -3.923 1.00 4.55 H new ATOM 0 HA2 GLY A 335 -2.721 3.572 -5.838 1.00 4.68 H new ATOM 0 HA3 GLY A 335 -4.371 3.403 -5.272 1.00 4.68 H new ATOM 349 N MET A 336 -2.580 5.325 -3.414 1.00 3.70 N ATOM 350 CA MET A 336 -2.435 6.636 -2.805 1.00 3.47 C ATOM 351 C MET A 336 -1.605 7.543 -3.702 1.00 3.74 C ATOM 352 O MET A 336 -0.434 7.269 -3.965 1.00 4.01 O ATOM 353 CB MET A 336 -1.773 6.496 -1.431 1.00 3.41 C ATOM 354 CG MET A 336 -1.511 7.820 -0.728 1.00 3.73 C ATOM 355 SD MET A 336 -3.018 8.761 -0.426 1.00 4.20 S ATOM 356 CE MET A 336 -2.365 10.135 0.521 1.00 5.08 C ATOM 0 H MET A 336 -2.043 4.592 -2.950 1.00 3.70 H new ATOM 0 HA MET A 336 -3.421 7.083 -2.680 1.00 3.47 H new ATOM 0 HB2 MET A 336 -2.408 5.879 -0.795 1.00 3.41 H new ATOM 0 HB3 MET A 336 -0.828 5.966 -1.548 1.00 3.41 H new ATOM 0 HG2 MET A 336 -1.011 7.629 0.222 1.00 3.73 H new ATOM 0 HG3 MET A 336 -0.829 8.418 -1.333 1.00 3.73 H new ATOM 0 HE1 MET A 336 -3.164 10.848 0.726 1.00 5.08 H new ATOM 0 HE2 MET A 336 -1.957 9.767 1.462 1.00 5.08 H new ATOM 0 HE3 MET A 336 -1.577 10.627 -0.048 1.00 5.08 H new ATOM 366 N MET A 337 -2.218 8.613 -4.180 1.00 4.13 N ATOM 367 CA MET A 337 -1.534 9.548 -5.063 1.00 4.69 C ATOM 368 C MET A 337 -0.622 10.466 -4.262 1.00 4.24 C ATOM 369 O MET A 337 -0.972 10.918 -3.171 1.00 3.85 O ATOM 370 CB MET A 337 -2.549 10.380 -5.846 1.00 5.56 C ATOM 371 CG MET A 337 -3.483 9.548 -6.706 1.00 6.32 C ATOM 372 SD MET A 337 -4.669 10.555 -7.619 1.00 7.23 S ATOM 373 CE MET A 337 -3.574 11.472 -8.701 1.00 8.06 C ATOM 0 H MET A 337 -3.186 8.857 -3.973 1.00 4.13 H new ATOM 0 HA MET A 337 -0.929 8.975 -5.765 1.00 4.69 H new ATOM 0 HB2 MET A 337 -3.141 10.968 -5.145 1.00 5.56 H new ATOM 0 HB3 MET A 337 -2.014 11.085 -6.482 1.00 5.56 H new ATOM 0 HG2 MET A 337 -2.895 8.959 -7.410 1.00 6.32 H new ATOM 0 HG3 MET A 337 -4.022 8.843 -6.073 1.00 6.32 H new ATOM 0 HE1 MET A 337 -4.152 11.918 -9.510 1.00 8.06 H new ATOM 0 HE2 MET A 337 -3.077 12.259 -8.134 1.00 8.06 H new ATOM 0 HE3 MET A 337 -2.826 10.798 -9.118 1.00 8.06 H new ATOM 383 N GLY A 338 0.544 10.746 -4.832 1.00 4.64 N ATOM 384 CA GLY A 338 1.548 11.549 -4.165 1.00 4.49 C ATOM 385 C GLY A 338 1.103 12.979 -3.966 1.00 4.59 C ATOM 386 O GLY A 338 1.423 13.599 -2.954 1.00 4.39 O ATOM 0 H GLY A 338 0.814 10.424 -5.761 1.00 4.64 H new ATOM 0 HA2 GLY A 338 1.780 11.105 -3.197 1.00 4.49 H new ATOM 0 HA3 GLY A 338 2.468 11.536 -4.750 1.00 4.49 H new ATOM 390 N MET A 339 0.375 13.509 -4.944 1.00 5.28 N ATOM 391 CA MET A 339 -0.098 14.888 -4.896 1.00 5.81 C ATOM 392 C MET A 339 -1.079 15.106 -3.744 1.00 5.61 C ATOM 393 O MET A 339 -1.324 16.243 -3.342 1.00 6.06 O ATOM 394 CB MET A 339 -0.762 15.284 -6.219 1.00 6.87 C ATOM 395 CG MET A 339 -2.079 14.569 -6.481 1.00 7.56 C ATOM 396 SD MET A 339 -2.915 15.167 -7.963 1.00 8.38 S ATOM 397 CE MET A 339 -1.724 14.736 -9.232 1.00 9.13 C ATOM 0 H MET A 339 0.099 13.001 -5.784 1.00 5.28 H new ATOM 0 HA MET A 339 0.774 15.520 -4.730 1.00 5.81 H new ATOM 0 HB2 MET A 339 -0.937 16.360 -6.220 1.00 6.87 H new ATOM 0 HB3 MET A 339 -0.075 15.072 -7.038 1.00 6.87 H new ATOM 0 HG2 MET A 339 -1.893 13.500 -6.581 1.00 7.56 H new ATOM 0 HG3 MET A 339 -2.736 14.700 -5.621 1.00 7.56 H new ATOM 0 HE1 MET A 339 -2.199 14.794 -10.211 1.00 9.13 H new ATOM 0 HE2 MET A 339 -0.884 15.430 -9.194 1.00 9.13 H new ATOM 0 HE3 MET A 339 -1.364 13.721 -9.063 1.00 9.13 H new ATOM 407 N LEU A 340 -1.638 14.018 -3.216 1.00 5.18 N ATOM 408 CA LEU A 340 -2.585 14.113 -2.112 1.00 5.41 C ATOM 409 C LEU A 340 -1.865 14.523 -0.834 1.00 5.02 C ATOM 410 O LEU A 340 -2.469 15.077 0.084 1.00 5.64 O ATOM 411 CB LEU A 340 -3.318 12.789 -1.906 1.00 5.55 C ATOM 412 CG LEU A 340 -4.080 12.265 -3.128 1.00 6.05 C ATOM 413 CD1 LEU A 340 -4.775 10.952 -2.801 1.00 6.16 C ATOM 414 CD2 LEU A 340 -5.089 13.295 -3.613 1.00 7.07 C ATOM 0 H LEU A 340 -1.451 13.067 -3.534 1.00 5.18 H new ATOM 0 HA LEU A 340 -3.324 14.875 -2.361 1.00 5.41 H new ATOM 0 HB2 LEU A 340 -2.593 12.035 -1.600 1.00 5.55 H new ATOM 0 HB3 LEU A 340 -4.022 12.907 -1.082 1.00 5.55 H new ATOM 0 HG LEU A 340 -3.362 12.085 -3.928 1.00 6.05 H new ATOM 0 HD11 LEU A 340 -5.311 10.595 -3.680 1.00 6.16 H new ATOM 0 HD12 LEU A 340 -4.033 10.212 -2.503 1.00 6.16 H new ATOM 0 HD13 LEU A 340 -5.480 11.107 -1.985 1.00 6.16 H new ATOM 0 HD21 LEU A 340 -5.620 12.904 -4.481 1.00 7.07 H new ATOM 0 HD22 LEU A 340 -5.803 13.508 -2.817 1.00 7.07 H new ATOM 0 HD23 LEU A 340 -4.569 14.212 -3.889 1.00 7.07 H new ATOM 426 N ALA A 341 -0.569 14.256 -0.785 1.00 4.36 N ATOM 427 CA ALA A 341 0.252 14.699 0.322 1.00 4.43 C ATOM 428 C ALA A 341 0.617 16.160 0.115 1.00 4.77 C ATOM 429 O ALA A 341 1.369 16.500 -0.799 1.00 5.40 O ATOM 430 CB ALA A 341 1.497 13.836 0.435 1.00 4.13 C ATOM 0 H ALA A 341 -0.066 13.734 -1.502 1.00 4.36 H new ATOM 0 HA ALA A 341 -0.304 14.601 1.255 1.00 4.43 H new ATOM 0 HB1 ALA A 341 2.104 14.181 1.272 1.00 4.13 H new ATOM 0 HB2 ALA A 341 1.207 12.799 0.601 1.00 4.13 H new ATOM 0 HB3 ALA A 341 2.075 13.908 -0.487 1.00 4.13 H new ATOM 436 N SER A 342 0.066 17.024 0.945 1.00 4.71 N ATOM 437 CA SER A 342 0.224 18.455 0.758 1.00 5.21 C ATOM 438 C SER A 342 1.565 18.957 1.290 1.00 4.78 C ATOM 439 O SER A 342 1.678 19.354 2.449 1.00 4.60 O ATOM 440 CB SER A 342 -0.924 19.198 1.435 1.00 5.76 C ATOM 441 OG SER A 342 -2.174 18.740 0.948 1.00 6.25 O ATOM 0 H SER A 342 -0.495 16.761 1.755 1.00 4.71 H new ATOM 0 HA SER A 342 0.205 18.653 -0.314 1.00 5.21 H new ATOM 0 HB2 SER A 342 -0.873 19.051 2.514 1.00 5.76 H new ATOM 0 HB3 SER A 342 -0.828 20.269 1.254 1.00 5.76 H new ATOM 0 HG SER A 342 -2.898 19.227 1.395 1.00 6.25 H new ATOM 447 N ARG A 343 2.583 18.910 0.441 1.00 4.96 N ATOM 448 CA ARG A 343 3.858 19.542 0.746 1.00 4.86 C ATOM 449 C ARG A 343 3.920 20.882 0.029 1.00 4.76 C ATOM 450 O ARG A 343 4.105 20.934 -1.188 1.00 5.40 O ATOM 451 CB ARG A 343 5.056 18.685 0.303 1.00 5.67 C ATOM 452 CG ARG A 343 5.178 17.332 0.988 1.00 6.12 C ATOM 453 CD ARG A 343 4.315 16.281 0.312 1.00 6.82 C ATOM 454 NE ARG A 343 4.473 16.298 -1.145 1.00 7.18 N ATOM 455 CZ ARG A 343 4.391 15.221 -1.925 1.00 7.92 C ATOM 456 NH1 ARG A 343 4.261 14.007 -1.396 1.00 8.35 N ATOM 457 NH2 ARG A 343 4.464 15.365 -3.241 1.00 8.49 N ATOM 0 H ARG A 343 2.550 18.441 -0.464 1.00 4.96 H new ATOM 0 HA ARG A 343 3.921 19.665 1.827 1.00 4.86 H new ATOM 0 HB2 ARG A 343 4.988 18.524 -0.773 1.00 5.67 H new ATOM 0 HB3 ARG A 343 5.971 19.249 0.484 1.00 5.67 H new ATOM 0 HG2 ARG A 343 6.219 17.011 0.976 1.00 6.12 H new ATOM 0 HG3 ARG A 343 4.885 17.426 2.034 1.00 6.12 H new ATOM 0 HD2 ARG A 343 4.578 15.295 0.694 1.00 6.82 H new ATOM 0 HD3 ARG A 343 3.269 16.452 0.566 1.00 6.82 H new ATOM 0 HE ARG A 343 4.658 17.196 -1.592 1.00 7.18 H new ATOM 0 HH11 ARG A 343 4.223 13.893 -0.383 1.00 8.35 H new ATOM 0 HH12 ARG A 343 4.199 13.190 -2.003 1.00 8.35 H new ATOM 0 HH21 ARG A 343 4.582 16.293 -3.647 1.00 8.49 H new ATOM 0 HH22 ARG A 343 4.402 14.547 -3.848 1.00 8.49 H new ATOM 471 N GLN A 344 3.741 21.962 0.764 1.00 4.30 N ATOM 472 CA GLN A 344 3.761 23.282 0.167 1.00 4.47 C ATOM 473 C GLN A 344 5.056 23.995 0.507 1.00 4.38 C ATOM 474 O GLN A 344 5.595 23.834 1.600 1.00 4.22 O ATOM 475 CB GLN A 344 2.561 24.102 0.639 1.00 4.62 C ATOM 476 CG GLN A 344 1.228 23.559 0.150 1.00 5.14 C ATOM 477 CD GLN A 344 1.143 23.502 -1.366 1.00 5.62 C ATOM 478 OE1 GLN A 344 0.751 24.468 -2.013 1.00 6.10 O ATOM 479 NE2 GLN A 344 1.500 22.363 -1.945 1.00 5.93 N ATOM 0 H GLN A 344 3.581 21.952 1.771 1.00 4.30 H new ATOM 0 HA GLN A 344 3.698 23.172 -0.916 1.00 4.47 H new ATOM 0 HB2 GLN A 344 2.556 24.130 1.729 1.00 4.62 H new ATOM 0 HB3 GLN A 344 2.675 25.130 0.294 1.00 4.62 H new ATOM 0 HG2 GLN A 344 1.075 22.559 0.557 1.00 5.14 H new ATOM 0 HG3 GLN A 344 0.422 24.185 0.532 1.00 5.14 H new ATOM 0 HE21 GLN A 344 1.821 21.580 -1.375 1.00 5.93 H new ATOM 0 HE22 GLN A 344 1.453 22.270 -2.960 1.00 5.93 H new ATOM 488 N ASN A 345 5.562 24.761 -0.442 1.00 4.85 N ATOM 489 CA ASN A 345 6.788 25.506 -0.244 1.00 4.99 C ATOM 490 C ASN A 345 6.474 26.887 0.289 1.00 4.91 C ATOM 491 O ASN A 345 5.678 27.620 -0.296 1.00 5.29 O ATOM 492 CB ASN A 345 7.580 25.631 -1.548 1.00 5.88 C ATOM 493 CG ASN A 345 8.091 24.301 -2.056 1.00 6.35 C ATOM 494 OD1 ASN A 345 9.176 23.857 -1.680 1.00 6.50 O ATOM 495 ND2 ASN A 345 7.322 23.660 -2.923 1.00 6.96 N ATOM 0 H ASN A 345 5.139 24.883 -1.362 1.00 4.85 H new ATOM 0 HA ASN A 345 7.397 24.962 0.478 1.00 4.99 H new ATOM 0 HB2 ASN A 345 6.947 26.086 -2.310 1.00 5.88 H new ATOM 0 HB3 ASN A 345 8.424 26.303 -1.392 1.00 5.88 H new ATOM 0 HD21 ASN A 345 7.622 22.763 -3.305 1.00 6.96 H new ATOM 0 HD22 ASN A 345 6.430 24.063 -3.208 1.00 6.96 H new ATOM 502 N GLN A 346 7.092 27.237 1.402 1.00 4.79 N ATOM 503 CA GLN A 346 6.938 28.563 1.966 1.00 5.00 C ATOM 504 C GLN A 346 8.135 29.416 1.575 1.00 5.26 C ATOM 505 O GLN A 346 9.286 28.993 1.718 1.00 5.28 O ATOM 506 CB GLN A 346 6.800 28.466 3.488 1.00 5.09 C ATOM 507 CG GLN A 346 6.570 29.797 4.181 1.00 5.54 C ATOM 508 CD GLN A 346 6.143 29.625 5.626 1.00 5.92 C ATOM 509 OE1 GLN A 346 5.410 28.554 5.912 1.00 6.41 O flip ATOM 510 NE2 GLN A 346 6.456 30.456 6.480 1.00 6.10 N flip ATOM 0 H GLN A 346 7.706 26.620 1.933 1.00 4.79 H new ATOM 0 HA GLN A 346 6.035 29.032 1.575 1.00 5.00 H new ATOM 0 HB2 GLN A 346 5.971 27.799 3.724 1.00 5.09 H new ATOM 0 HB3 GLN A 346 7.702 28.009 3.894 1.00 5.09 H new ATOM 0 HG2 GLN A 346 7.485 30.388 4.142 1.00 5.54 H new ATOM 0 HG3 GLN A 346 5.806 30.358 3.643 1.00 5.54 H new ATOM 0 HE21 GLN A 346 7.020 31.265 6.221 1.00 6.10 H new ATOM 0 HE22 GLN A 346 6.151 30.335 7.446 1.00 6.10 H new ATOM 519 N SER A 347 7.865 30.614 1.086 1.00 5.76 N ATOM 520 CA SER A 347 8.909 31.470 0.561 1.00 6.15 C ATOM 521 C SER A 347 9.587 32.263 1.668 1.00 5.87 C ATOM 522 O SER A 347 9.020 32.456 2.749 1.00 6.25 O ATOM 523 CB SER A 347 8.311 32.404 -0.488 1.00 6.93 C ATOM 524 OG SER A 347 7.124 33.007 -0.005 1.00 7.46 O ATOM 0 H SER A 347 6.928 31.015 1.043 1.00 5.76 H new ATOM 0 HA SER A 347 9.675 30.847 0.098 1.00 6.15 H new ATOM 0 HB2 SER A 347 9.035 33.175 -0.750 1.00 6.93 H new ATOM 0 HB3 SER A 347 8.096 31.845 -1.399 1.00 6.93 H new ATOM 0 HG SER A 347 6.757 33.603 -0.691 1.00 7.46 H new ATOM 530 N GLY A 348 10.805 32.705 1.398 1.00 5.53 N ATOM 531 CA GLY A 348 11.539 33.508 2.352 1.00 5.54 C ATOM 532 C GLY A 348 12.388 34.559 1.666 1.00 5.59 C ATOM 533 O GLY A 348 12.366 34.664 0.434 1.00 5.68 O ATOM 0 H GLY A 348 11.302 32.520 0.527 1.00 5.53 H new ATOM 0 HA2 GLY A 348 10.840 33.993 3.033 1.00 5.54 H new ATOM 0 HA3 GLY A 348 12.177 32.863 2.956 1.00 5.54 H new ATOM 537 N PRO A 349 13.160 35.344 2.435 1.00 5.91 N ATOM 538 CA PRO A 349 14.012 36.416 1.894 1.00 6.29 C ATOM 539 C PRO A 349 15.082 35.905 0.933 1.00 6.35 C ATOM 540 O PRO A 349 15.664 36.684 0.181 1.00 6.32 O ATOM 541 CB PRO A 349 14.670 37.022 3.139 1.00 6.89 C ATOM 542 CG PRO A 349 13.802 36.610 4.276 1.00 6.91 C ATOM 543 CD PRO A 349 13.255 35.266 3.902 1.00 6.34 C ATOM 0 HA PRO A 349 13.426 37.125 1.310 1.00 6.29 H new ATOM 0 HB2 PRO A 349 15.688 36.653 3.266 1.00 6.89 H new ATOM 0 HB3 PRO A 349 14.732 38.108 3.063 1.00 6.89 H new ATOM 0 HG2 PRO A 349 14.371 36.557 5.204 1.00 6.91 H new ATOM 0 HG3 PRO A 349 12.999 37.329 4.436 1.00 6.91 H new ATOM 0 HD2 PRO A 349 13.914 34.459 4.221 1.00 6.34 H new ATOM 0 HD3 PRO A 349 12.283 35.084 4.360 1.00 6.34 H new ATOM 551 N SER A 350 15.327 34.598 0.955 1.00 6.79 N ATOM 552 CA SER A 350 16.348 33.980 0.112 1.00 7.31 C ATOM 553 C SER A 350 16.014 34.115 -1.375 1.00 7.44 C ATOM 554 O SER A 350 16.906 34.096 -2.227 1.00 7.86 O ATOM 555 CB SER A 350 16.498 32.507 0.487 1.00 8.11 C ATOM 556 OG SER A 350 15.234 31.858 0.513 1.00 8.24 O ATOM 0 H SER A 350 14.827 33.940 1.553 1.00 6.79 H new ATOM 0 HA SER A 350 17.290 34.501 0.284 1.00 7.31 H new ATOM 0 HB2 SER A 350 17.152 32.010 -0.230 1.00 8.11 H new ATOM 0 HB3 SER A 350 16.974 32.423 1.464 1.00 8.11 H new ATOM 0 HG SER A 350 15.355 30.916 0.754 1.00 8.24 H new ATOM 562 N GLY A 351 14.726 34.232 -1.681 1.00 7.35 N ATOM 563 CA GLY A 351 14.296 34.386 -3.059 1.00 7.72 C ATOM 564 C GLY A 351 14.782 35.683 -3.679 1.00 7.36 C ATOM 565 O GLY A 351 15.108 35.723 -4.867 1.00 7.91 O ATOM 0 H GLY A 351 13.970 34.223 -0.997 1.00 7.35 H new ATOM 0 HA2 GLY A 351 14.665 33.546 -3.647 1.00 7.72 H new ATOM 0 HA3 GLY A 351 13.207 34.352 -3.102 1.00 7.72 H new ATOM 569 N ASN A 352 14.856 36.727 -2.852 1.00 6.68 N ATOM 570 CA ASN A 352 15.227 38.078 -3.290 1.00 6.65 C ATOM 571 C ASN A 352 14.189 38.651 -4.251 1.00 6.74 C ATOM 572 O ASN A 352 13.334 39.438 -3.855 1.00 7.00 O ATOM 573 CB ASN A 352 16.612 38.114 -3.955 1.00 6.99 C ATOM 574 CG ASN A 352 17.761 37.827 -3.003 1.00 7.28 C ATOM 575 OD1 ASN A 352 17.632 37.062 -2.053 1.00 7.60 O ATOM 576 ND2 ASN A 352 18.900 38.449 -3.256 1.00 7.53 N ATOM 0 H ASN A 352 14.660 36.661 -1.853 1.00 6.68 H new ATOM 0 HA ASN A 352 15.264 38.692 -2.390 1.00 6.65 H new ATOM 0 HB2 ASN A 352 16.634 37.385 -4.765 1.00 6.99 H new ATOM 0 HB3 ASN A 352 16.763 39.095 -4.405 1.00 6.99 H new ATOM 0 HD21 ASN A 352 19.708 38.299 -2.652 1.00 7.53 H new ATOM 0 HD22 ASN A 352 18.971 39.078 -4.056 1.00 7.53 H new ATOM 583 N ASN A 353 14.253 38.231 -5.506 1.00 6.86 N ATOM 584 CA ASN A 353 13.369 38.747 -6.539 1.00 7.25 C ATOM 585 C ASN A 353 12.582 37.623 -7.187 1.00 7.06 C ATOM 586 O ASN A 353 12.760 36.451 -6.850 1.00 7.25 O ATOM 587 CB ASN A 353 14.165 39.498 -7.612 1.00 8.01 C ATOM 588 CG ASN A 353 14.498 40.920 -7.210 1.00 8.61 C ATOM 589 OD1 ASN A 353 13.720 41.588 -6.528 1.00 8.84 O ATOM 590 ND2 ASN A 353 15.661 41.398 -7.630 1.00 9.15 N ATOM 0 H ASN A 353 14.915 37.528 -5.835 1.00 6.86 H new ATOM 0 HA ASN A 353 12.674 39.439 -6.063 1.00 7.25 H new ATOM 0 HB2 ASN A 353 15.089 38.958 -7.817 1.00 8.01 H new ATOM 0 HB3 ASN A 353 13.592 39.512 -8.539 1.00 8.01 H new ATOM 0 HD21 ASN A 353 15.938 42.350 -7.390 1.00 9.15 H new ATOM 0 HD22 ASN A 353 16.279 40.814 -8.193 1.00 9.15 H new ATOM 597 N GLN A 354 11.715 37.985 -8.114 1.00 6.98 N ATOM 598 CA GLN A 354 10.939 37.009 -8.863 1.00 7.10 C ATOM 599 C GLN A 354 11.753 36.452 -10.032 1.00 7.21 C ATOM 600 O GLN A 354 12.984 36.473 -10.004 1.00 7.45 O ATOM 601 CB GLN A 354 9.612 37.613 -9.352 1.00 7.49 C ATOM 602 CG GLN A 354 9.725 38.979 -10.027 1.00 7.80 C ATOM 603 CD GLN A 354 9.937 40.116 -9.039 1.00 8.26 C ATOM 604 OE1 GLN A 354 9.490 40.052 -7.897 1.00 8.50 O ATOM 605 NE2 GLN A 354 10.614 41.165 -9.475 1.00 8.68 N ATOM 0 H GLN A 354 11.528 38.955 -8.369 1.00 6.98 H new ATOM 0 HA GLN A 354 10.700 36.183 -8.193 1.00 7.10 H new ATOM 0 HB2 GLN A 354 9.152 36.917 -10.053 1.00 7.49 H new ATOM 0 HB3 GLN A 354 8.937 37.702 -8.501 1.00 7.49 H new ATOM 0 HG2 GLN A 354 10.554 38.961 -10.734 1.00 7.80 H new ATOM 0 HG3 GLN A 354 8.819 39.170 -10.602 1.00 7.80 H new ATOM 0 HE21 GLN A 354 10.970 41.181 -10.431 1.00 8.68 H new ATOM 0 HE22 GLN A 354 10.781 41.958 -8.855 1.00 8.68 H new ATOM 614 N ASN A 355 11.076 35.972 -11.067 1.00 7.39 N ATOM 615 CA ASN A 355 11.760 35.344 -12.196 1.00 7.86 C ATOM 616 C ASN A 355 12.376 36.391 -13.117 1.00 7.88 C ATOM 617 O ASN A 355 13.049 36.052 -14.091 1.00 8.43 O ATOM 618 CB ASN A 355 10.799 34.461 -12.997 1.00 8.36 C ATOM 619 CG ASN A 355 10.288 33.270 -12.210 1.00 9.04 C ATOM 620 OD1 ASN A 355 10.056 33.349 -11.003 1.00 9.34 O ATOM 621 ND2 ASN A 355 10.113 32.152 -12.891 1.00 9.55 N ATOM 0 H ASN A 355 10.060 36.004 -11.151 1.00 7.39 H new ATOM 0 HA ASN A 355 12.556 34.722 -11.787 1.00 7.86 H new ATOM 0 HB2 ASN A 355 9.951 35.062 -13.326 1.00 8.36 H new ATOM 0 HB3 ASN A 355 11.305 34.106 -13.895 1.00 8.36 H new ATOM 0 HD21 ASN A 355 9.774 31.314 -12.418 1.00 9.55 H new ATOM 0 HD22 ASN A 355 10.316 32.126 -13.890 1.00 9.55 H new ATOM 628 N GLN A 356 12.132 37.659 -12.797 1.00 7.55 N ATOM 629 CA GLN A 356 12.628 38.789 -13.581 1.00 7.79 C ATOM 630 C GLN A 356 11.969 38.841 -14.955 1.00 7.86 C ATOM 631 O GLN A 356 11.046 38.074 -15.245 1.00 8.00 O ATOM 632 CB GLN A 356 14.154 38.759 -13.715 1.00 8.09 C ATOM 633 CG GLN A 356 14.885 39.002 -12.403 1.00 8.51 C ATOM 634 CD GLN A 356 16.372 39.235 -12.595 1.00 8.98 C ATOM 635 OE1 GLN A 356 16.939 38.634 -13.630 1.00 9.12 O flip ATOM 636 NE2 GLN A 356 17.004 39.955 -11.820 1.00 9.48 N flip ATOM 0 H GLN A 356 11.582 37.934 -11.983 1.00 7.55 H new ATOM 0 HA GLN A 356 12.359 39.696 -13.040 1.00 7.79 H new ATOM 0 HB2 GLN A 356 14.456 37.792 -14.116 1.00 8.09 H new ATOM 0 HB3 GLN A 356 14.462 39.514 -14.438 1.00 8.09 H new ATOM 0 HG2 GLN A 356 14.448 39.866 -11.903 1.00 8.51 H new ATOM 0 HG3 GLN A 356 14.738 38.145 -11.746 1.00 8.51 H new ATOM 0 HE21 GLN A 356 16.529 40.400 -11.035 1.00 9.48 H new ATOM 0 HE22 GLN A 356 18.002 40.106 -11.964 1.00 9.48 H new ATOM 645 N GLY A 357 12.426 39.762 -15.795 1.00 8.09 N ATOM 646 CA GLY A 357 11.761 40.001 -17.060 1.00 8.52 C ATOM 647 C GLY A 357 10.615 40.971 -16.869 1.00 8.74 C ATOM 648 O GLY A 357 9.891 41.307 -17.804 1.00 9.34 O ATOM 0 H GLY A 357 13.244 40.346 -15.622 1.00 8.09 H new ATOM 0 HA2 GLY A 357 12.471 40.402 -17.783 1.00 8.52 H new ATOM 0 HA3 GLY A 357 11.388 39.061 -17.467 1.00 8.52 H new ATOM 652 N ASN A 358 10.457 41.406 -15.626 1.00 8.53 N ATOM 653 CA ASN A 358 9.392 42.322 -15.250 1.00 9.03 C ATOM 654 C ASN A 358 9.925 43.743 -15.173 1.00 9.56 C ATOM 655 O ASN A 358 9.158 44.703 -15.162 1.00 9.97 O ATOM 656 CB ASN A 358 8.803 41.914 -13.894 1.00 8.90 C ATOM 657 CG ASN A 358 9.771 42.143 -12.745 1.00 9.11 C ATOM 658 OD1 ASN A 358 10.629 41.302 -12.462 1.00 9.38 O ATOM 659 ND2 ASN A 358 9.625 43.265 -12.057 1.00 9.24 N ATOM 0 H ASN A 358 11.063 41.134 -14.852 1.00 8.53 H new ATOM 0 HA ASN A 358 8.609 42.278 -16.007 1.00 9.03 H new ATOM 0 HB2 ASN A 358 7.890 42.481 -13.713 1.00 8.90 H new ATOM 0 HB3 ASN A 358 8.524 40.861 -13.925 1.00 8.90 H new ATOM 0 HD21 ASN A 358 10.234 43.459 -11.262 1.00 9.24 H new ATOM 0 HD22 ASN A 358 8.904 43.936 -12.322 1.00 9.24 H new ATOM 666 N MET A 359 11.244 43.865 -15.143 1.00 9.75 N ATOM 667 CA MET A 359 11.888 45.157 -14.970 1.00 10.44 C ATOM 668 C MET A 359 11.996 45.884 -16.297 1.00 10.94 C ATOM 669 O MET A 359 12.813 45.528 -17.148 1.00 10.94 O ATOM 670 CB MET A 359 13.277 44.990 -14.349 1.00 10.66 C ATOM 671 CG MET A 359 13.242 44.478 -12.921 1.00 10.96 C ATOM 672 SD MET A 359 12.420 45.622 -11.796 1.00 11.53 S ATOM 673 CE MET A 359 13.452 47.077 -11.976 1.00 12.03 C ATOM 0 H MET A 359 11.890 43.082 -15.237 1.00 9.75 H new ATOM 0 HA MET A 359 11.273 45.752 -14.295 1.00 10.44 H new ATOM 0 HB2 MET A 359 13.859 44.300 -14.960 1.00 10.66 H new ATOM 0 HB3 MET A 359 13.794 45.949 -14.370 1.00 10.66 H new ATOM 0 HG2 MET A 359 12.728 43.517 -12.896 1.00 10.96 H new ATOM 0 HG3 MET A 359 14.261 44.304 -12.576 1.00 10.96 H new ATOM 0 HE1 MET A 359 13.323 47.724 -11.108 1.00 12.03 H new ATOM 0 HE2 MET A 359 14.497 46.775 -12.051 1.00 12.03 H new ATOM 0 HE3 MET A 359 13.165 47.618 -12.878 1.00 12.03 H new ATOM 683 N GLN A 360 11.159 46.892 -16.472 1.00 11.57 N ATOM 684 CA GLN A 360 11.177 47.697 -17.679 1.00 12.30 C ATOM 685 C GLN A 360 11.770 49.060 -17.362 1.00 12.97 C ATOM 686 O GLN A 360 11.001 49.965 -16.984 1.00 13.47 O ATOM 687 CB GLN A 360 9.760 47.849 -18.247 1.00 12.66 C ATOM 688 CG GLN A 360 9.046 46.527 -18.457 1.00 12.82 C ATOM 689 CD GLN A 360 9.799 45.601 -19.387 1.00 13.18 C ATOM 690 OE1 GLN A 360 10.491 46.045 -20.304 1.00 13.44 O ATOM 691 NE2 GLN A 360 9.687 44.309 -19.146 1.00 13.37 N ATOM 692 OXT GLN A 360 13.004 49.202 -17.446 1.00 13.14 O ATOM 0 H GLN A 360 10.455 47.173 -15.789 1.00 11.57 H new ATOM 0 HA GLN A 360 11.790 47.202 -18.432 1.00 12.30 H new ATOM 0 HB2 GLN A 360 9.170 48.468 -17.570 1.00 12.66 H new ATOM 0 HB3 GLN A 360 9.813 48.379 -19.198 1.00 12.66 H new ATOM 0 HG2 GLN A 360 8.908 46.036 -17.494 1.00 12.82 H new ATOM 0 HG3 GLN A 360 8.052 46.715 -18.864 1.00 12.82 H new ATOM 0 HE21 GLN A 360 9.103 43.983 -18.376 1.00 13.37 H new ATOM 0 HE22 GLN A 360 10.184 43.636 -19.730 1.00 13.37 H new TER 701 GLN A 360