USER MOD reduce.3.24.130724 H: found=0, std=0, add=336, rem=0, adj=12 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 356 GLN : amide:sc= -1.5 K(o=-2.9,f=-3.4!) USER MOD Set 1.2: A 358 ASN : amide:sc= -1.36 K(o=-2.9,f=-9.5!) USER MOD Set 2.1: A 352 ASN : amide:sc= -0.861 K(o=-0.86,f=-4.5!) USER MOD Set 2.2: A 355 ASN : amide:sc= 0 X(o=-0.86,f=-0.86) USER MOD Single : A 311 MET CE :methyl 164:sc= -0.0617 (180deg=-0.454) USER MOD Single : A 312 ASN :FLIP amide:sc=-0.00409 F(o=-0.92,f=-0.0041) USER MOD Single : A 317 SER OG : rot 98:sc= 0.141 USER MOD Single : A 319 ASN : amide:sc= -0.424 K(o=-0.42,f=-5.9!) USER MOD Single : A 322 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 323 MET CE :methyl -163:sc= -0.129 (180deg=-0.564) USER MOD Single : A 327 GLN : amide:sc= -0.118 K(o=-0.12,f=-0.85) USER MOD Single : A 331 GLN : amide:sc= 0.372 X(o=0.37,f=-0.0024) USER MOD Single : A 332 SER OG : rot 72:sc= 0.783 USER MOD Single : A 333 SER OG : rot 180:sc= 0 USER MOD Single : A 336 MET CE :methyl -159:sc= -0.129 (180deg=-0.722) USER MOD Single : A 337 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 339 MET CE :methyl 159:sc= -0.188 (180deg=-0.845) USER MOD Single : A 342 SER OG : rot 180:sc= 0 USER MOD Single : A 344 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 345 ASN : amide:sc= 0.189 K(o=0.19,f=-4.1!) USER MOD Single : A 346 GLN : amide:sc= 0.0735 K(o=0.073,f=-6!) USER MOD Single : A 347 SER OG : rot 180:sc= 0 USER MOD Single : A 350 SER OG : rot 180:sc= 0.0523 USER MOD Single : A 353 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 354 GLN :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Single : A 359 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 360 GLN : amide:sc= -0.933 K(o=-0.93,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 311 -45.896 -1.564 8.817 1.00 15.10 N ATOM 2 CA MET A 311 -45.086 -2.497 8.014 1.00 14.91 C ATOM 3 C MET A 311 -45.192 -2.157 6.536 1.00 14.01 C ATOM 4 O MET A 311 -46.292 -2.099 5.983 1.00 13.92 O ATOM 5 CB MET A 311 -45.555 -3.936 8.249 1.00 15.49 C ATOM 6 CG MET A 311 -44.840 -4.962 7.384 1.00 16.12 C ATOM 7 SD MET A 311 -43.053 -4.952 7.624 1.00 16.98 S ATOM 8 CE MET A 311 -42.939 -5.390 9.359 1.00 17.92 C ATOM 0 HA MET A 311 -44.045 -2.404 8.322 1.00 14.91 H new ATOM 0 HB2 MET A 311 -45.405 -4.191 9.298 1.00 15.49 H new ATOM 0 HB3 MET A 311 -46.626 -3.995 8.057 1.00 15.49 H new ATOM 0 HG2 MET A 311 -45.227 -5.955 7.611 1.00 16.12 H new ATOM 0 HG3 MET A 311 -45.063 -4.765 6.335 1.00 16.12 H new ATOM 0 HE1 MET A 311 -41.920 -5.701 9.590 1.00 17.92 H new ATOM 0 HE2 MET A 311 -43.202 -4.527 9.970 1.00 17.92 H new ATOM 0 HE3 MET A 311 -43.625 -6.209 9.573 1.00 17.92 H new ATOM 20 N ASN A 312 -44.049 -1.922 5.906 1.00 13.49 N ATOM 21 CA ASN A 312 -43.999 -1.634 4.479 1.00 12.74 C ATOM 22 C ASN A 312 -42.758 -2.272 3.869 1.00 12.32 C ATOM 23 O ASN A 312 -41.634 -1.980 4.281 1.00 12.29 O ATOM 24 CB ASN A 312 -43.990 -0.124 4.224 1.00 12.63 C ATOM 25 CG ASN A 312 -44.060 0.223 2.745 1.00 12.56 C ATOM 26 OD1 ASN A 312 -44.817 -0.556 1.981 1.00 12.43 O flip ATOM 27 ND2 ASN A 312 -43.471 1.207 2.298 1.00 12.87 N flip ATOM 0 H ASN A 312 -43.138 -1.925 6.365 1.00 13.49 H new ATOM 0 HA ASN A 312 -44.890 -2.053 4.011 1.00 12.74 H new ATOM 0 HB2 ASN A 312 -44.835 0.332 4.740 1.00 12.63 H new ATOM 0 HB3 ASN A 312 -43.085 0.307 4.651 1.00 12.63 H new ATOM 0 HD21 ASN A 312 -42.898 1.782 2.915 1.00 12.87 H new ATOM 0 HD22 ASN A 312 -43.556 1.447 1.310 1.00 12.87 H new ATOM 34 N PHE A 313 -42.965 -3.160 2.912 1.00 12.16 N ATOM 35 CA PHE A 313 -41.865 -3.839 2.252 1.00 11.96 C ATOM 36 C PHE A 313 -41.104 -2.856 1.362 1.00 11.11 C ATOM 37 O PHE A 313 -41.681 -1.907 0.835 1.00 11.29 O ATOM 38 CB PHE A 313 -42.388 -5.024 1.435 1.00 12.55 C ATOM 39 CG PHE A 313 -41.368 -6.104 1.214 1.00 13.17 C ATOM 40 CD1 PHE A 313 -40.963 -6.927 2.252 1.00 13.57 C ATOM 41 CD2 PHE A 313 -40.809 -6.287 -0.037 1.00 13.49 C ATOM 42 CE1 PHE A 313 -40.024 -7.918 2.043 1.00 14.27 C ATOM 43 CE2 PHE A 313 -39.868 -7.274 -0.255 1.00 14.21 C ATOM 44 CZ PHE A 313 -39.490 -8.113 0.822 1.00 14.59 C ATOM 0 H PHE A 313 -43.889 -3.428 2.574 1.00 12.16 H new ATOM 0 HA PHE A 313 -41.178 -4.224 3.006 1.00 11.96 H new ATOM 0 HB2 PHE A 313 -43.252 -5.451 1.944 1.00 12.55 H new ATOM 0 HB3 PHE A 313 -42.735 -4.661 0.468 1.00 12.55 H new ATOM 0 HD1 PHE A 313 -41.386 -6.792 3.236 1.00 13.57 H new ATOM 0 HD2 PHE A 313 -41.112 -5.650 -0.855 1.00 13.49 H new ATOM 0 HE1 PHE A 313 -39.715 -8.543 2.867 1.00 14.27 H new ATOM 0 HE2 PHE A 313 -39.427 -7.404 -1.232 1.00 14.21 H new ATOM 0 HZ PHE A 313 -38.775 -8.907 0.664 1.00 14.59 H new ATOM 54 N GLY A 314 -39.811 -3.091 1.204 1.00 10.31 N ATOM 55 CA GLY A 314 -38.971 -2.162 0.472 1.00 9.52 C ATOM 56 C GLY A 314 -38.139 -1.311 1.407 1.00 8.89 C ATOM 57 O GLY A 314 -37.130 -0.728 1.008 1.00 8.22 O ATOM 0 H GLY A 314 -39.326 -3.910 1.570 1.00 10.31 H new ATOM 0 HA2 GLY A 314 -38.314 -2.715 -0.199 1.00 9.52 H new ATOM 0 HA3 GLY A 314 -39.594 -1.519 -0.150 1.00 9.52 H new ATOM 61 N ALA A 315 -38.557 -1.249 2.660 1.00 9.30 N ATOM 62 CA ALA A 315 -37.822 -0.509 3.674 1.00 9.10 C ATOM 63 C ALA A 315 -36.614 -1.308 4.152 1.00 8.51 C ATOM 64 O ALA A 315 -35.637 -0.747 4.651 1.00 8.20 O ATOM 65 CB ALA A 315 -38.729 -0.174 4.844 1.00 10.04 C ATOM 0 H ALA A 315 -39.404 -1.703 3.001 1.00 9.30 H new ATOM 0 HA ALA A 315 -37.466 0.421 3.231 1.00 9.10 H new ATOM 0 HB1 ALA A 315 -38.165 0.380 5.595 1.00 10.04 H new ATOM 0 HB2 ALA A 315 -39.563 0.435 4.495 1.00 10.04 H new ATOM 0 HB3 ALA A 315 -39.111 -1.095 5.284 1.00 10.04 H new ATOM 71 N PHE A 316 -36.689 -2.620 3.982 1.00 8.63 N ATOM 72 CA PHE A 316 -35.645 -3.525 4.452 1.00 8.47 C ATOM 73 C PHE A 316 -34.505 -3.636 3.442 1.00 7.73 C ATOM 74 O PHE A 316 -33.498 -4.289 3.708 1.00 7.72 O ATOM 75 CB PHE A 316 -36.233 -4.914 4.724 1.00 9.29 C ATOM 76 CG PHE A 316 -37.338 -4.912 5.741 1.00 10.04 C ATOM 77 CD1 PHE A 316 -37.051 -4.878 7.096 1.00 10.37 C ATOM 78 CD2 PHE A 316 -38.664 -4.939 5.341 1.00 10.61 C ATOM 79 CE1 PHE A 316 -38.067 -4.877 8.033 1.00 11.22 C ATOM 80 CE2 PHE A 316 -39.683 -4.936 6.271 1.00 11.44 C ATOM 81 CZ PHE A 316 -39.384 -4.903 7.620 1.00 11.73 C ATOM 0 H PHE A 316 -37.468 -3.087 3.518 1.00 8.63 H new ATOM 0 HA PHE A 316 -35.241 -3.113 5.377 1.00 8.47 H new ATOM 0 HB2 PHE A 316 -36.612 -5.328 3.790 1.00 9.29 H new ATOM 0 HB3 PHE A 316 -35.437 -5.575 5.066 1.00 9.29 H new ATOM 0 HD1 PHE A 316 -36.022 -4.852 7.424 1.00 10.37 H new ATOM 0 HD2 PHE A 316 -38.903 -4.963 4.288 1.00 10.61 H new ATOM 0 HE1 PHE A 316 -37.831 -4.856 9.087 1.00 11.22 H new ATOM 0 HE2 PHE A 316 -40.713 -4.959 5.946 1.00 11.44 H new ATOM 0 HZ PHE A 316 -40.180 -4.898 8.350 1.00 11.73 H new ATOM 91 N SER A 317 -34.661 -2.990 2.294 1.00 7.38 N ATOM 92 CA SER A 317 -33.645 -3.032 1.252 1.00 6.88 C ATOM 93 C SER A 317 -32.368 -2.343 1.721 1.00 6.15 C ATOM 94 O SER A 317 -32.423 -1.341 2.438 1.00 6.12 O ATOM 95 CB SER A 317 -34.170 -2.359 -0.012 1.00 7.20 C ATOM 96 OG SER A 317 -35.416 -2.921 -0.406 1.00 8.01 O ATOM 0 H SER A 317 -35.482 -2.431 2.061 1.00 7.38 H new ATOM 0 HA SER A 317 -33.414 -4.074 1.032 1.00 6.88 H new ATOM 0 HB2 SER A 317 -34.288 -1.290 0.163 1.00 7.20 H new ATOM 0 HB3 SER A 317 -33.444 -2.472 -0.817 1.00 7.20 H new ATOM 0 HG SER A 317 -36.147 -2.354 -0.083 1.00 8.01 H new ATOM 102 N ILE A 318 -31.226 -2.886 1.324 1.00 5.89 N ATOM 103 CA ILE A 318 -29.942 -2.357 1.752 1.00 5.46 C ATOM 104 C ILE A 318 -29.269 -1.574 0.622 1.00 5.05 C ATOM 105 O ILE A 318 -29.202 -2.031 -0.517 1.00 5.20 O ATOM 106 CB ILE A 318 -29.008 -3.488 2.254 1.00 5.77 C ATOM 107 CG1 ILE A 318 -27.670 -2.917 2.735 1.00 6.39 C ATOM 108 CG2 ILE A 318 -28.780 -4.537 1.172 1.00 5.87 C ATOM 109 CD1 ILE A 318 -27.786 -2.012 3.947 1.00 6.93 C ATOM 0 H ILE A 318 -31.164 -3.694 0.705 1.00 5.89 H new ATOM 0 HA ILE A 318 -30.128 -1.675 2.582 1.00 5.46 H new ATOM 0 HB ILE A 318 -29.500 -3.973 3.097 1.00 5.77 H new ATOM 0 HG12 ILE A 318 -26.999 -3.742 2.973 1.00 6.39 H new ATOM 0 HG13 ILE A 318 -27.211 -2.358 1.920 1.00 6.39 H new ATOM 0 HG21 ILE A 318 -28.121 -5.317 1.554 1.00 5.87 H new ATOM 0 HG22 ILE A 318 -29.735 -4.977 0.885 1.00 5.87 H new ATOM 0 HG23 ILE A 318 -28.321 -4.068 0.302 1.00 5.87 H new ATOM 0 HD11 ILE A 318 -26.797 -1.648 4.226 1.00 6.93 H new ATOM 0 HD12 ILE A 318 -28.430 -1.165 3.709 1.00 6.93 H new ATOM 0 HD13 ILE A 318 -28.215 -2.571 4.779 1.00 6.93 H new ATOM 121 N ASN A 319 -28.796 -0.380 0.944 1.00 4.90 N ATOM 122 CA ASN A 319 -28.076 0.447 -0.017 1.00 4.82 C ATOM 123 C ASN A 319 -26.598 0.064 -0.011 1.00 4.38 C ATOM 124 O ASN A 319 -25.985 -0.025 1.058 1.00 4.39 O ATOM 125 CB ASN A 319 -28.246 1.934 0.337 1.00 5.38 C ATOM 126 CG ASN A 319 -27.704 2.886 -0.722 1.00 6.06 C ATOM 127 OD1 ASN A 319 -26.754 2.580 -1.440 1.00 6.44 O ATOM 128 ND2 ASN A 319 -28.307 4.060 -0.820 1.00 6.59 N ATOM 0 H ASN A 319 -28.898 0.041 1.867 1.00 4.90 H new ATOM 0 HA ASN A 319 -28.482 0.281 -1.015 1.00 4.82 H new ATOM 0 HB2 ASN A 319 -29.305 2.142 0.491 1.00 5.38 H new ATOM 0 HB3 ASN A 319 -27.741 2.132 1.283 1.00 5.38 H new ATOM 0 HD21 ASN A 319 -27.986 4.742 -1.507 1.00 6.59 H new ATOM 0 HD22 ASN A 319 -29.093 4.282 -0.209 1.00 6.59 H new ATOM 135 N PRO A 320 -26.024 -0.226 -1.196 1.00 4.41 N ATOM 136 CA PRO A 320 -24.588 -0.503 -1.343 1.00 4.37 C ATOM 137 C PRO A 320 -23.719 0.695 -0.954 1.00 4.34 C ATOM 138 O PRO A 320 -23.170 1.391 -1.805 1.00 4.65 O ATOM 139 CB PRO A 320 -24.427 -0.823 -2.837 1.00 4.92 C ATOM 140 CG PRO A 320 -25.628 -0.239 -3.494 1.00 5.28 C ATOM 141 CD PRO A 320 -26.734 -0.332 -2.486 1.00 4.99 C ATOM 0 HA PRO A 320 -24.265 -1.312 -0.688 1.00 4.37 H new ATOM 0 HB2 PRO A 320 -23.510 -0.389 -3.236 1.00 4.92 H new ATOM 0 HB3 PRO A 320 -24.370 -1.898 -3.005 1.00 4.92 H new ATOM 0 HG2 PRO A 320 -25.450 0.797 -3.784 1.00 5.28 H new ATOM 0 HG3 PRO A 320 -25.881 -0.785 -4.403 1.00 5.28 H new ATOM 0 HD2 PRO A 320 -27.462 0.469 -2.612 1.00 4.99 H new ATOM 0 HD3 PRO A 320 -27.278 -1.273 -2.570 1.00 4.99 H new ATOM 149 N ALA A 321 -23.610 0.920 0.345 1.00 4.38 N ATOM 150 CA ALA A 321 -22.809 1.999 0.889 1.00 4.73 C ATOM 151 C ALA A 321 -21.830 1.434 1.901 1.00 4.87 C ATOM 152 O ALA A 321 -20.704 1.908 2.019 1.00 4.83 O ATOM 153 CB ALA A 321 -23.702 3.053 1.528 1.00 5.47 C ATOM 0 H ALA A 321 -24.078 0.355 1.054 1.00 4.38 H new ATOM 0 HA ALA A 321 -22.251 2.478 0.085 1.00 4.73 H new ATOM 0 HB1 ALA A 321 -23.085 3.856 1.932 1.00 5.47 H new ATOM 0 HB2 ALA A 321 -24.380 3.459 0.777 1.00 5.47 H new ATOM 0 HB3 ALA A 321 -24.281 2.600 2.333 1.00 5.47 H new ATOM 159 N MET A 322 -22.260 0.396 2.616 1.00 5.24 N ATOM 160 CA MET A 322 -21.385 -0.307 3.541 1.00 5.76 C ATOM 161 C MET A 322 -20.258 -0.994 2.777 1.00 5.34 C ATOM 162 O MET A 322 -19.105 -0.988 3.204 1.00 5.57 O ATOM 163 CB MET A 322 -22.189 -1.348 4.318 1.00 6.52 C ATOM 164 CG MET A 322 -23.202 -0.761 5.285 1.00 7.25 C ATOM 165 SD MET A 322 -24.164 -2.034 6.126 1.00 8.01 S ATOM 166 CE MET A 322 -25.198 -1.025 7.184 1.00 8.63 C ATOM 0 H MET A 322 -23.209 0.026 2.570 1.00 5.24 H new ATOM 0 HA MET A 322 -20.954 0.412 4.238 1.00 5.76 H new ATOM 0 HB2 MET A 322 -22.711 -1.990 3.609 1.00 6.52 H new ATOM 0 HB3 MET A 322 -21.499 -1.982 4.874 1.00 6.52 H new ATOM 0 HG2 MET A 322 -22.683 -0.152 6.026 1.00 7.25 H new ATOM 0 HG3 MET A 322 -23.876 -0.098 4.743 1.00 7.25 H new ATOM 0 HE1 MET A 322 -25.854 -1.667 7.772 1.00 8.63 H new ATOM 0 HE2 MET A 322 -24.570 -0.438 7.854 1.00 8.63 H new ATOM 0 HE3 MET A 322 -25.801 -0.355 6.571 1.00 8.63 H new ATOM 176 N MET A 323 -20.603 -1.546 1.621 1.00 4.92 N ATOM 177 CA MET A 323 -19.619 -2.181 0.755 1.00 4.86 C ATOM 178 C MET A 323 -18.861 -1.114 -0.006 1.00 4.19 C ATOM 179 O MET A 323 -17.685 -1.267 -0.321 1.00 4.23 O ATOM 180 CB MET A 323 -20.296 -3.149 -0.220 1.00 5.17 C ATOM 181 CG MET A 323 -21.003 -4.303 0.468 1.00 5.75 C ATOM 182 SD MET A 323 -21.777 -5.447 -0.693 1.00 6.61 S ATOM 183 CE MET A 323 -22.989 -4.384 -1.478 1.00 7.32 C ATOM 0 H MET A 323 -21.557 -1.567 1.261 1.00 4.92 H new ATOM 0 HA MET A 323 -18.924 -2.754 1.369 1.00 4.86 H new ATOM 0 HB2 MET A 323 -21.018 -2.599 -0.824 1.00 5.17 H new ATOM 0 HB3 MET A 323 -19.546 -3.548 -0.904 1.00 5.17 H new ATOM 0 HG2 MET A 323 -20.286 -4.847 1.082 1.00 5.75 H new ATOM 0 HG3 MET A 323 -21.763 -3.907 1.141 1.00 5.75 H new ATOM 0 HE1 MET A 323 -23.734 -4.996 -1.987 1.00 7.32 H new ATOM 0 HE2 MET A 323 -23.478 -3.770 -0.722 1.00 7.32 H new ATOM 0 HE3 MET A 323 -22.492 -3.739 -2.203 1.00 7.32 H new ATOM 193 N ALA A 324 -19.549 -0.013 -0.270 1.00 3.85 N ATOM 194 CA ALA A 324 -18.959 1.121 -0.953 1.00 3.64 C ATOM 195 C ALA A 324 -17.841 1.726 -0.108 1.00 3.69 C ATOM 196 O ALA A 324 -16.783 2.089 -0.622 1.00 3.64 O ATOM 197 CB ALA A 324 -20.039 2.154 -1.241 1.00 3.87 C ATOM 0 H ALA A 324 -20.529 0.116 -0.016 1.00 3.85 H new ATOM 0 HA ALA A 324 -18.525 0.791 -1.897 1.00 3.64 H new ATOM 0 HB1 ALA A 324 -19.598 3.008 -1.755 1.00 3.87 H new ATOM 0 HB2 ALA A 324 -20.809 1.709 -1.872 1.00 3.87 H new ATOM 0 HB3 ALA A 324 -20.485 2.485 -0.303 1.00 3.87 H new ATOM 203 N ALA A 325 -18.079 1.804 1.197 1.00 4.10 N ATOM 204 CA ALA A 325 -17.093 2.319 2.134 1.00 4.50 C ATOM 205 C ALA A 325 -15.905 1.370 2.257 1.00 4.36 C ATOM 206 O ALA A 325 -14.767 1.804 2.444 1.00 4.39 O ATOM 207 CB ALA A 325 -17.730 2.540 3.496 1.00 5.40 C ATOM 0 H ALA A 325 -18.955 1.514 1.631 1.00 4.10 H new ATOM 0 HA ALA A 325 -16.728 3.272 1.752 1.00 4.50 H new ATOM 0 HB1 ALA A 325 -16.982 2.926 4.189 1.00 5.40 H new ATOM 0 HB2 ALA A 325 -18.545 3.258 3.404 1.00 5.40 H new ATOM 0 HB3 ALA A 325 -18.121 1.595 3.873 1.00 5.40 H new ATOM 213 N ALA A 326 -16.176 0.074 2.159 1.00 4.45 N ATOM 214 CA ALA A 326 -15.129 -0.937 2.219 1.00 4.76 C ATOM 215 C ALA A 326 -14.241 -0.860 0.982 1.00 4.25 C ATOM 216 O ALA A 326 -13.016 -0.961 1.072 1.00 4.39 O ATOM 217 CB ALA A 326 -15.737 -2.323 2.365 1.00 5.39 C ATOM 0 H ALA A 326 -17.116 -0.302 2.037 1.00 4.45 H new ATOM 0 HA ALA A 326 -14.509 -0.744 3.094 1.00 4.76 H new ATOM 0 HB1 ALA A 326 -14.941 -3.067 2.408 1.00 5.39 H new ATOM 0 HB2 ALA A 326 -16.326 -2.367 3.281 1.00 5.39 H new ATOM 0 HB3 ALA A 326 -16.381 -2.530 1.510 1.00 5.39 H new ATOM 223 N GLN A 327 -14.866 -0.670 -0.172 1.00 3.89 N ATOM 224 CA GLN A 327 -14.134 -0.518 -1.424 1.00 3.88 C ATOM 225 C GLN A 327 -13.337 0.784 -1.429 1.00 3.54 C ATOM 226 O GLN A 327 -12.186 0.820 -1.867 1.00 3.70 O ATOM 227 CB GLN A 327 -15.098 -0.556 -2.611 1.00 4.13 C ATOM 228 CG GLN A 327 -15.716 -1.926 -2.848 1.00 4.57 C ATOM 229 CD GLN A 327 -14.685 -2.969 -3.223 1.00 5.04 C ATOM 230 OE1 GLN A 327 -13.660 -2.654 -3.829 1.00 5.37 O ATOM 231 NE2 GLN A 327 -14.950 -4.216 -2.880 1.00 5.52 N ATOM 0 H GLN A 327 -15.880 -0.617 -0.268 1.00 3.89 H new ATOM 0 HA GLN A 327 -13.434 -1.349 -1.515 1.00 3.88 H new ATOM 0 HB2 GLN A 327 -15.895 0.169 -2.445 1.00 4.13 H new ATOM 0 HB3 GLN A 327 -14.566 -0.246 -3.511 1.00 4.13 H new ATOM 0 HG2 GLN A 327 -16.240 -2.245 -1.947 1.00 4.57 H new ATOM 0 HG3 GLN A 327 -16.460 -1.853 -3.641 1.00 4.57 H new ATOM 0 HE21 GLN A 327 -15.811 -4.435 -2.378 1.00 5.52 H new ATOM 0 HE22 GLN A 327 -14.294 -4.960 -3.117 1.00 5.52 H new ATOM 240 N ALA A 328 -13.950 1.847 -0.917 1.00 3.40 N ATOM 241 CA ALA A 328 -13.296 3.148 -0.831 1.00 3.60 C ATOM 242 C ALA A 328 -12.140 3.111 0.165 1.00 3.61 C ATOM 243 O ALA A 328 -11.205 3.913 0.083 1.00 3.68 O ATOM 244 CB ALA A 328 -14.302 4.218 -0.438 1.00 4.16 C ATOM 0 H ALA A 328 -14.903 1.832 -0.554 1.00 3.40 H new ATOM 0 HA ALA A 328 -12.890 3.393 -1.812 1.00 3.60 H new ATOM 0 HB1 ALA A 328 -13.801 5.184 -0.377 1.00 4.16 H new ATOM 0 HB2 ALA A 328 -15.093 4.266 -1.186 1.00 4.16 H new ATOM 0 HB3 ALA A 328 -14.734 3.972 0.532 1.00 4.16 H new ATOM 250 N ALA A 329 -12.209 2.176 1.107 1.00 3.87 N ATOM 251 CA ALA A 329 -11.144 1.992 2.081 1.00 4.31 C ATOM 252 C ALA A 329 -9.860 1.557 1.391 1.00 4.02 C ATOM 253 O ALA A 329 -8.775 2.011 1.739 1.00 4.18 O ATOM 254 CB ALA A 329 -11.546 0.973 3.134 1.00 5.14 C ATOM 0 H ALA A 329 -12.994 1.534 1.215 1.00 3.87 H new ATOM 0 HA ALA A 329 -10.969 2.947 2.576 1.00 4.31 H new ATOM 0 HB1 ALA A 329 -10.734 0.852 3.851 1.00 5.14 H new ATOM 0 HB2 ALA A 329 -12.440 1.319 3.653 1.00 5.14 H new ATOM 0 HB3 ALA A 329 -11.752 0.016 2.654 1.00 5.14 H new ATOM 260 N LEU A 330 -9.996 0.688 0.397 1.00 3.86 N ATOM 261 CA LEU A 330 -8.855 0.234 -0.385 1.00 4.05 C ATOM 262 C LEU A 330 -8.202 1.423 -1.081 1.00 3.61 C ATOM 263 O LEU A 330 -6.982 1.545 -1.111 1.00 3.83 O ATOM 264 CB LEU A 330 -9.300 -0.826 -1.410 1.00 4.52 C ATOM 265 CG LEU A 330 -8.177 -1.575 -2.143 1.00 5.18 C ATOM 266 CD1 LEU A 330 -8.709 -2.872 -2.725 1.00 5.96 C ATOM 267 CD2 LEU A 330 -7.579 -0.727 -3.255 1.00 5.66 C ATOM 0 H LEU A 330 -10.888 0.283 0.114 1.00 3.86 H new ATOM 0 HA LEU A 330 -8.123 -0.225 0.280 1.00 4.05 H new ATOM 0 HB2 LEU A 330 -9.922 -1.559 -0.896 1.00 4.52 H new ATOM 0 HB3 LEU A 330 -9.930 -0.339 -2.155 1.00 4.52 H new ATOM 0 HG LEU A 330 -7.393 -1.792 -1.417 1.00 5.18 H new ATOM 0 HD11 LEU A 330 -7.905 -3.395 -3.243 1.00 5.96 H new ATOM 0 HD12 LEU A 330 -9.093 -3.501 -1.922 1.00 5.96 H new ATOM 0 HD13 LEU A 330 -9.511 -2.653 -3.429 1.00 5.96 H new ATOM 0 HD21 LEU A 330 -6.787 -1.286 -3.754 1.00 5.66 H new ATOM 0 HD22 LEU A 330 -8.355 -0.474 -3.977 1.00 5.66 H new ATOM 0 HD23 LEU A 330 -7.165 0.188 -2.832 1.00 5.66 H new ATOM 279 N GLN A 331 -9.038 2.304 -1.617 1.00 3.29 N ATOM 280 CA GLN A 331 -8.577 3.509 -2.307 1.00 3.38 C ATOM 281 C GLN A 331 -7.818 4.427 -1.351 1.00 3.36 C ATOM 282 O GLN A 331 -6.965 5.212 -1.767 1.00 3.53 O ATOM 283 CB GLN A 331 -9.784 4.237 -2.928 1.00 3.75 C ATOM 284 CG GLN A 331 -9.446 5.548 -3.632 1.00 4.36 C ATOM 285 CD GLN A 331 -9.808 6.772 -2.805 1.00 4.72 C ATOM 286 OE1 GLN A 331 -10.925 7.284 -2.886 1.00 5.26 O ATOM 287 NE2 GLN A 331 -8.866 7.253 -2.014 1.00 4.88 N ATOM 0 H GLN A 331 -10.053 2.206 -1.587 1.00 3.29 H new ATOM 0 HA GLN A 331 -7.888 3.223 -3.102 1.00 3.38 H new ATOM 0 HB2 GLN A 331 -10.264 3.570 -3.644 1.00 3.75 H new ATOM 0 HB3 GLN A 331 -10.512 4.440 -2.143 1.00 3.75 H new ATOM 0 HG2 GLN A 331 -8.380 5.570 -3.857 1.00 4.36 H new ATOM 0 HG3 GLN A 331 -9.974 5.590 -4.585 1.00 4.36 H new ATOM 0 HE21 GLN A 331 -7.953 6.800 -1.975 1.00 4.88 H new ATOM 0 HE22 GLN A 331 -9.052 8.077 -1.442 1.00 4.88 H new ATOM 296 N SER A 332 -8.135 4.331 -0.070 1.00 3.52 N ATOM 297 CA SER A 332 -7.498 5.172 0.932 1.00 4.01 C ATOM 298 C SER A 332 -6.249 4.496 1.499 1.00 4.13 C ATOM 299 O SER A 332 -5.248 5.155 1.782 1.00 4.40 O ATOM 300 CB SER A 332 -8.495 5.472 2.055 1.00 4.82 C ATOM 301 OG SER A 332 -9.732 5.929 1.528 1.00 5.25 O ATOM 0 H SER A 332 -8.828 3.681 0.301 1.00 3.52 H new ATOM 0 HA SER A 332 -7.190 6.106 0.461 1.00 4.01 H new ATOM 0 HB2 SER A 332 -8.659 4.574 2.650 1.00 4.82 H new ATOM 0 HB3 SER A 332 -8.079 6.226 2.723 1.00 4.82 H new ATOM 0 HG SER A 332 -10.204 5.181 1.106 1.00 5.25 H new ATOM 307 N SER A 333 -6.308 3.178 1.649 1.00 4.24 N ATOM 308 CA SER A 333 -5.202 2.418 2.197 1.00 4.87 C ATOM 309 C SER A 333 -4.093 2.235 1.166 1.00 4.69 C ATOM 310 O SER A 333 -2.908 2.313 1.495 1.00 5.07 O ATOM 311 CB SER A 333 -5.688 1.051 2.695 1.00 5.50 C ATOM 312 OG SER A 333 -4.636 0.304 3.290 1.00 6.18 O ATOM 0 H SER A 333 -7.119 2.614 1.395 1.00 4.24 H new ATOM 0 HA SER A 333 -4.795 2.979 3.038 1.00 4.87 H new ATOM 0 HB2 SER A 333 -6.490 1.192 3.420 1.00 5.50 H new ATOM 0 HB3 SER A 333 -6.108 0.488 1.861 1.00 5.50 H new ATOM 0 HG SER A 333 -4.981 -0.560 3.597 1.00 6.18 H new ATOM 318 N TRP A 334 -4.482 1.978 -0.074 1.00 4.36 N ATOM 319 CA TRP A 334 -3.529 1.708 -1.135 1.00 4.61 C ATOM 320 C TRP A 334 -3.654 2.749 -2.236 1.00 4.24 C ATOM 321 O TRP A 334 -4.612 3.522 -2.260 1.00 3.98 O ATOM 322 CB TRP A 334 -3.750 0.302 -1.692 1.00 5.51 C ATOM 323 CG TRP A 334 -3.708 -0.754 -0.632 1.00 6.03 C ATOM 324 CD1 TRP A 334 -4.777 -1.358 -0.045 1.00 6.54 C ATOM 325 CD2 TRP A 334 -2.539 -1.317 -0.023 1.00 6.46 C ATOM 326 NE1 TRP A 334 -4.348 -2.256 0.902 1.00 7.16 N ATOM 327 CE2 TRP A 334 -2.978 -2.257 0.928 1.00 7.11 C ATOM 328 CE3 TRP A 334 -1.164 -1.119 -0.189 1.00 6.66 C ATOM 329 CZ2 TRP A 334 -2.092 -2.998 1.707 1.00 7.83 C ATOM 330 CZ3 TRP A 334 -0.286 -1.854 0.585 1.00 7.45 C ATOM 331 CH2 TRP A 334 -0.752 -2.785 1.521 1.00 7.97 C ATOM 0 H TRP A 334 -5.458 1.951 -0.369 1.00 4.36 H new ATOM 0 HA TRP A 334 -2.520 1.764 -0.727 1.00 4.61 H new ATOM 0 HB2 TRP A 334 -4.714 0.264 -2.198 1.00 5.51 H new ATOM 0 HB3 TRP A 334 -2.988 0.089 -2.441 1.00 5.51 H new ATOM 0 HD1 TRP A 334 -5.811 -1.160 -0.288 1.00 6.54 H new ATOM 0 HE1 TRP A 334 -4.952 -2.830 1.491 1.00 7.16 H new ATOM 0 HE3 TRP A 334 -0.795 -0.404 -0.910 1.00 6.66 H new ATOM 0 HZ2 TRP A 334 -2.449 -3.715 2.432 1.00 7.83 H new ATOM 0 HZ3 TRP A 334 0.777 -1.708 0.466 1.00 7.45 H new ATOM 0 HH2 TRP A 334 -0.040 -3.347 2.108 1.00 7.97 H new ATOM 342 N GLY A 335 -2.696 2.760 -3.150 1.00 4.55 N ATOM 343 CA GLY A 335 -2.639 3.819 -4.134 1.00 4.68 C ATOM 344 C GLY A 335 -2.225 5.121 -3.486 1.00 4.16 C ATOM 345 O GLY A 335 -2.849 6.162 -3.702 1.00 4.48 O ATOM 0 H GLY A 335 -1.960 2.058 -3.228 1.00 4.55 H new ATOM 0 HA2 GLY A 335 -1.931 3.556 -4.920 1.00 4.68 H new ATOM 0 HA3 GLY A 335 -3.613 3.936 -4.609 1.00 4.68 H new ATOM 349 N MET A 336 -1.172 5.047 -2.675 1.00 3.70 N ATOM 350 CA MET A 336 -0.699 6.187 -1.903 1.00 3.47 C ATOM 351 C MET A 336 -0.321 7.350 -2.813 1.00 3.74 C ATOM 352 O MET A 336 0.257 7.155 -3.883 1.00 4.01 O ATOM 353 CB MET A 336 0.508 5.769 -1.060 1.00 3.41 C ATOM 354 CG MET A 336 1.074 6.888 -0.197 1.00 3.73 C ATOM 355 SD MET A 336 2.469 6.352 0.813 1.00 4.20 S ATOM 356 CE MET A 336 1.693 5.097 1.831 1.00 5.08 C ATOM 0 H MET A 336 -0.626 4.197 -2.537 1.00 3.70 H new ATOM 0 HA MET A 336 -1.506 6.519 -1.250 1.00 3.47 H new ATOM 0 HB2 MET A 336 0.219 4.938 -0.417 1.00 3.41 H new ATOM 0 HB3 MET A 336 1.292 5.402 -1.722 1.00 3.41 H new ATOM 0 HG2 MET A 336 1.390 7.711 -0.838 1.00 3.73 H new ATOM 0 HG3 MET A 336 0.288 7.273 0.452 1.00 3.73 H new ATOM 0 HE1 MET A 336 2.288 4.938 2.730 1.00 5.08 H new ATOM 0 HE2 MET A 336 0.692 5.424 2.112 1.00 5.08 H new ATOM 0 HE3 MET A 336 1.626 4.164 1.271 1.00 5.08 H new ATOM 366 N MET A 337 -0.671 8.555 -2.386 1.00 4.13 N ATOM 367 CA MET A 337 -0.331 9.752 -3.135 1.00 4.69 C ATOM 368 C MET A 337 1.153 10.057 -2.973 1.00 4.24 C ATOM 369 O MET A 337 1.664 10.152 -1.857 1.00 3.85 O ATOM 370 CB MET A 337 -1.166 10.944 -2.656 1.00 5.56 C ATOM 371 CG MET A 337 -2.668 10.742 -2.792 1.00 6.32 C ATOM 372 SD MET A 337 -3.185 10.506 -4.503 1.00 7.23 S ATOM 373 CE MET A 337 -4.950 10.276 -4.293 1.00 8.06 C ATOM 0 H MET A 337 -1.190 8.728 -1.525 1.00 4.13 H new ATOM 0 HA MET A 337 -0.551 9.578 -4.188 1.00 4.69 H new ATOM 0 HB2 MET A 337 -0.930 11.143 -1.611 1.00 5.56 H new ATOM 0 HB3 MET A 337 -0.876 11.829 -3.223 1.00 5.56 H new ATOM 0 HG2 MET A 337 -2.969 9.876 -2.203 1.00 6.32 H new ATOM 0 HG3 MET A 337 -3.186 11.606 -2.376 1.00 6.32 H new ATOM 0 HE1 MET A 337 -5.415 10.118 -5.266 1.00 8.06 H new ATOM 0 HE2 MET A 337 -5.131 9.408 -3.659 1.00 8.06 H new ATOM 0 HE3 MET A 337 -5.379 11.162 -3.826 1.00 8.06 H new ATOM 383 N GLY A 338 1.828 10.214 -4.103 1.00 4.64 N ATOM 384 CA GLY A 338 3.256 10.446 -4.116 1.00 4.49 C ATOM 385 C GLY A 338 3.634 11.766 -3.499 1.00 4.59 C ATOM 386 O GLY A 338 4.678 11.887 -2.859 1.00 4.39 O ATOM 0 H GLY A 338 1.400 10.184 -5.028 1.00 4.64 H new ATOM 0 HA2 GLY A 338 3.756 9.641 -3.577 1.00 4.49 H new ATOM 0 HA3 GLY A 338 3.616 10.413 -5.144 1.00 4.49 H new ATOM 390 N MET A 339 2.791 12.767 -3.712 1.00 5.28 N ATOM 391 CA MET A 339 3.056 14.110 -3.220 1.00 5.81 C ATOM 392 C MET A 339 3.007 14.161 -1.687 1.00 5.61 C ATOM 393 O MET A 339 3.420 15.146 -1.079 1.00 6.06 O ATOM 394 CB MET A 339 2.056 15.110 -3.820 1.00 6.87 C ATOM 395 CG MET A 339 2.369 16.567 -3.492 1.00 7.56 C ATOM 396 SD MET A 339 1.162 17.720 -4.179 1.00 8.38 S ATOM 397 CE MET A 339 -0.341 17.150 -3.386 1.00 9.13 C ATOM 0 H MET A 339 1.914 12.673 -4.225 1.00 5.28 H new ATOM 0 HA MET A 339 4.062 14.388 -3.534 1.00 5.81 H new ATOM 0 HB2 MET A 339 2.039 14.987 -4.903 1.00 6.87 H new ATOM 0 HB3 MET A 339 1.056 14.872 -3.456 1.00 6.87 H new ATOM 0 HG2 MET A 339 2.406 16.690 -2.410 1.00 7.56 H new ATOM 0 HG3 MET A 339 3.359 16.815 -3.875 1.00 7.56 H new ATOM 0 HE1 MET A 339 -1.084 17.948 -3.398 1.00 9.13 H new ATOM 0 HE2 MET A 339 -0.730 16.284 -3.922 1.00 9.13 H new ATOM 0 HE3 MET A 339 -0.125 16.871 -2.355 1.00 9.13 H new ATOM 407 N LEU A 340 2.506 13.100 -1.060 1.00 5.18 N ATOM 408 CA LEU A 340 2.457 13.036 0.399 1.00 5.41 C ATOM 409 C LEU A 340 3.840 12.744 0.971 1.00 5.02 C ATOM 410 O LEU A 340 4.115 13.023 2.140 1.00 5.64 O ATOM 411 CB LEU A 340 1.462 11.978 0.873 1.00 5.55 C ATOM 412 CG LEU A 340 0.013 12.198 0.432 1.00 6.05 C ATOM 413 CD1 LEU A 340 -0.878 11.091 0.972 1.00 6.16 C ATOM 414 CD2 LEU A 340 -0.490 13.557 0.894 1.00 7.07 C ATOM 0 H LEU A 340 2.131 12.279 -1.534 1.00 5.18 H new ATOM 0 HA LEU A 340 2.122 14.008 0.761 1.00 5.41 H new ATOM 0 HB2 LEU A 340 1.791 11.005 0.509 1.00 5.55 H new ATOM 0 HB3 LEU A 340 1.491 11.938 1.962 1.00 5.55 H new ATOM 0 HG LEU A 340 -0.021 12.173 -0.657 1.00 6.05 H new ATOM 0 HD11 LEU A 340 -1.905 11.261 0.650 1.00 6.16 H new ATOM 0 HD12 LEU A 340 -0.533 10.129 0.593 1.00 6.16 H new ATOM 0 HD13 LEU A 340 -0.835 11.088 2.061 1.00 6.16 H new ATOM 0 HD21 LEU A 340 -1.522 13.693 0.570 1.00 7.07 H new ATOM 0 HD22 LEU A 340 -0.441 13.613 1.981 1.00 7.07 H new ATOM 0 HD23 LEU A 340 0.132 14.341 0.462 1.00 7.07 H new ATOM 426 N ALA A 341 4.709 12.189 0.139 1.00 4.36 N ATOM 427 CA ALA A 341 6.067 11.876 0.548 1.00 4.43 C ATOM 428 C ALA A 341 7.019 12.978 0.099 1.00 4.77 C ATOM 429 O ALA A 341 7.223 13.191 -1.097 1.00 5.40 O ATOM 430 CB ALA A 341 6.499 10.533 -0.019 1.00 4.13 C ATOM 0 H ALA A 341 4.495 11.946 -0.828 1.00 4.36 H new ATOM 0 HA ALA A 341 6.097 11.813 1.636 1.00 4.43 H new ATOM 0 HB1 ALA A 341 7.519 10.315 0.298 1.00 4.13 H new ATOM 0 HB2 ALA A 341 5.831 9.752 0.346 1.00 4.13 H new ATOM 0 HB3 ALA A 341 6.457 10.567 -1.108 1.00 4.13 H new ATOM 436 N SER A 342 7.576 13.695 1.061 1.00 4.71 N ATOM 437 CA SER A 342 8.514 14.767 0.772 1.00 5.21 C ATOM 438 C SER A 342 9.879 14.203 0.399 1.00 4.78 C ATOM 439 O SER A 342 10.623 13.728 1.259 1.00 4.60 O ATOM 440 CB SER A 342 8.633 15.684 1.986 1.00 5.76 C ATOM 441 OG SER A 342 7.351 16.079 2.448 1.00 6.25 O ATOM 0 H SER A 342 7.393 13.553 2.054 1.00 4.71 H new ATOM 0 HA SER A 342 8.142 15.341 -0.077 1.00 5.21 H new ATOM 0 HB2 SER A 342 9.169 15.170 2.784 1.00 5.76 H new ATOM 0 HB3 SER A 342 9.218 16.566 1.725 1.00 5.76 H new ATOM 0 HG SER A 342 7.450 16.665 3.227 1.00 6.25 H new ATOM 447 N ARG A 343 10.200 14.248 -0.888 1.00 4.96 N ATOM 448 CA ARG A 343 11.467 13.731 -1.374 1.00 4.86 C ATOM 449 C ARG A 343 12.594 14.720 -1.105 1.00 4.76 C ATOM 450 O ARG A 343 12.730 15.738 -1.787 1.00 5.40 O ATOM 451 CB ARG A 343 11.387 13.413 -2.864 1.00 5.67 C ATOM 452 CG ARG A 343 10.412 12.293 -3.198 1.00 6.12 C ATOM 453 CD ARG A 343 10.432 11.956 -4.683 1.00 6.82 C ATOM 454 NE ARG A 343 11.737 11.461 -5.118 1.00 7.18 N ATOM 455 CZ ARG A 343 12.389 11.927 -6.181 1.00 7.92 C ATOM 456 NH1 ARG A 343 11.895 12.946 -6.871 1.00 8.35 N ATOM 457 NH2 ARG A 343 13.547 11.392 -6.535 1.00 8.49 N ATOM 0 H ARG A 343 9.598 14.638 -1.613 1.00 4.96 H new ATOM 0 HA ARG A 343 11.681 12.808 -0.835 1.00 4.86 H new ATOM 0 HB2 ARG A 343 11.092 14.313 -3.403 1.00 5.67 H new ATOM 0 HB3 ARG A 343 12.379 13.138 -3.222 1.00 5.67 H new ATOM 0 HG2 ARG A 343 10.665 11.405 -2.619 1.00 6.12 H new ATOM 0 HG3 ARG A 343 9.404 12.588 -2.905 1.00 6.12 H new ATOM 0 HD2 ARG A 343 9.671 11.204 -4.894 1.00 6.82 H new ATOM 0 HD3 ARG A 343 10.171 12.844 -5.259 1.00 6.82 H new ATOM 0 HE ARG A 343 12.173 10.715 -4.576 1.00 7.18 H new ATOM 0 HH11 ARG A 343 11.014 13.374 -6.588 1.00 8.35 H new ATOM 0 HH12 ARG A 343 12.396 13.301 -7.685 1.00 8.35 H new ATOM 0 HH21 ARG A 343 13.940 10.622 -5.993 1.00 8.49 H new ATOM 0 HH22 ARG A 343 14.046 11.749 -7.350 1.00 8.49 H new ATOM 471 N GLN A 344 13.390 14.409 -0.101 1.00 4.30 N ATOM 472 CA GLN A 344 14.508 15.248 0.284 1.00 4.47 C ATOM 473 C GLN A 344 15.770 14.820 -0.455 1.00 4.38 C ATOM 474 O GLN A 344 15.983 13.628 -0.689 1.00 4.22 O ATOM 475 CB GLN A 344 14.737 15.144 1.789 1.00 4.62 C ATOM 476 CG GLN A 344 13.524 15.522 2.623 1.00 5.14 C ATOM 477 CD GLN A 344 13.678 15.143 4.085 1.00 5.62 C ATOM 478 OE1 GLN A 344 14.790 15.108 4.615 1.00 6.10 O ATOM 479 NE2 GLN A 344 12.567 14.868 4.747 1.00 5.93 N ATOM 0 H GLN A 344 13.281 13.570 0.469 1.00 4.30 H new ATOM 0 HA GLN A 344 14.277 16.281 0.022 1.00 4.47 H new ATOM 0 HB2 GLN A 344 15.029 14.123 2.033 1.00 4.62 H new ATOM 0 HB3 GLN A 344 15.571 15.789 2.065 1.00 4.62 H new ATOM 0 HG2 GLN A 344 13.356 16.596 2.546 1.00 5.14 H new ATOM 0 HG3 GLN A 344 12.640 15.031 2.216 1.00 5.14 H new ATOM 0 HE21 GLN A 344 11.666 14.909 4.270 1.00 5.93 H new ATOM 0 HE22 GLN A 344 12.611 14.615 5.734 1.00 5.93 H new ATOM 488 N ASN A 345 16.601 15.785 -0.821 1.00 4.85 N ATOM 489 CA ASN A 345 17.847 15.493 -1.504 1.00 4.99 C ATOM 490 C ASN A 345 19.033 15.770 -0.588 1.00 4.91 C ATOM 491 O ASN A 345 19.014 16.717 0.198 1.00 5.29 O ATOM 492 CB ASN A 345 17.976 16.304 -2.800 1.00 5.88 C ATOM 493 CG ASN A 345 18.066 17.806 -2.573 1.00 6.35 C ATOM 494 OD1 ASN A 345 17.442 18.358 -1.662 1.00 6.50 O ATOM 495 ND2 ASN A 345 18.846 18.481 -3.402 1.00 6.96 N ATOM 0 H ASN A 345 16.432 16.777 -0.655 1.00 4.85 H new ATOM 0 HA ASN A 345 17.843 14.435 -1.768 1.00 4.99 H new ATOM 0 HB2 ASN A 345 18.864 15.973 -3.339 1.00 5.88 H new ATOM 0 HB3 ASN A 345 17.118 16.092 -3.438 1.00 5.88 H new ATOM 0 HD21 ASN A 345 18.946 19.491 -3.299 1.00 6.96 H new ATOM 0 HD22 ASN A 345 19.347 17.991 -4.144 1.00 6.96 H new ATOM 502 N GLN A 346 20.054 14.936 -0.680 1.00 4.79 N ATOM 503 CA GLN A 346 21.238 15.096 0.145 1.00 5.00 C ATOM 504 C GLN A 346 22.422 15.515 -0.718 1.00 5.26 C ATOM 505 O GLN A 346 22.668 14.937 -1.780 1.00 5.28 O ATOM 506 CB GLN A 346 21.541 13.788 0.891 1.00 5.09 C ATOM 507 CG GLN A 346 22.732 13.868 1.838 1.00 5.54 C ATOM 508 CD GLN A 346 22.630 15.028 2.811 1.00 5.92 C ATOM 509 OE1 GLN A 346 23.111 16.124 2.533 1.00 6.41 O ATOM 510 NE2 GLN A 346 22.015 14.793 3.958 1.00 6.10 N ATOM 0 H GLN A 346 20.087 14.141 -1.318 1.00 4.79 H new ATOM 0 HA GLN A 346 21.057 15.877 0.883 1.00 5.00 H new ATOM 0 HB2 GLN A 346 20.659 13.495 1.460 1.00 5.09 H new ATOM 0 HB3 GLN A 346 21.725 13.001 0.160 1.00 5.09 H new ATOM 0 HG2 GLN A 346 22.809 12.936 2.397 1.00 5.54 H new ATOM 0 HG3 GLN A 346 23.648 13.967 1.256 1.00 5.54 H new ATOM 0 HE21 GLN A 346 21.629 13.868 4.150 1.00 6.10 H new ATOM 0 HE22 GLN A 346 21.926 15.536 4.651 1.00 6.10 H new ATOM 519 N SER A 347 23.143 16.529 -0.256 1.00 5.76 N ATOM 520 CA SER A 347 24.311 17.036 -0.962 1.00 6.15 C ATOM 521 C SER A 347 25.531 16.164 -0.679 1.00 5.87 C ATOM 522 O SER A 347 26.488 16.141 -1.452 1.00 6.25 O ATOM 523 CB SER A 347 24.582 18.481 -0.541 1.00 6.93 C ATOM 524 OG SER A 347 23.458 19.306 -0.808 1.00 7.46 O ATOM 0 H SER A 347 22.936 17.020 0.614 1.00 5.76 H new ATOM 0 HA SER A 347 24.113 17.007 -2.034 1.00 6.15 H new ATOM 0 HB2 SER A 347 24.819 18.516 0.522 1.00 6.93 H new ATOM 0 HB3 SER A 347 25.453 18.862 -1.074 1.00 6.93 H new ATOM 0 HG SER A 347 23.653 20.225 -0.529 1.00 7.46 H new ATOM 530 N GLY A 348 25.481 15.445 0.436 1.00 5.53 N ATOM 531 CA GLY A 348 26.560 14.550 0.791 1.00 5.54 C ATOM 532 C GLY A 348 27.272 14.989 2.053 1.00 5.59 C ATOM 533 O GLY A 348 26.793 14.724 3.157 1.00 5.68 O ATOM 0 H GLY A 348 24.708 15.468 1.101 1.00 5.53 H new ATOM 0 HA2 GLY A 348 26.165 13.544 0.930 1.00 5.54 H new ATOM 0 HA3 GLY A 348 27.275 14.501 -0.030 1.00 5.54 H new ATOM 537 N PRO A 349 28.418 15.672 1.918 1.00 5.91 N ATOM 538 CA PRO A 349 29.201 16.143 3.059 1.00 6.29 C ATOM 539 C PRO A 349 28.452 17.182 3.889 1.00 6.35 C ATOM 540 O PRO A 349 28.152 18.277 3.415 1.00 6.32 O ATOM 541 CB PRO A 349 30.445 16.768 2.418 1.00 6.89 C ATOM 542 CG PRO A 349 30.038 17.090 1.022 1.00 6.91 C ATOM 543 CD PRO A 349 29.039 16.038 0.635 1.00 6.34 C ATOM 0 HA PRO A 349 29.428 15.333 3.752 1.00 6.29 H new ATOM 0 HB2 PRO A 349 30.758 17.664 2.955 1.00 6.89 H new ATOM 0 HB3 PRO A 349 31.287 16.076 2.434 1.00 6.89 H new ATOM 0 HG2 PRO A 349 29.600 18.086 0.962 1.00 6.91 H new ATOM 0 HG3 PRO A 349 30.897 17.079 0.352 1.00 6.91 H new ATOM 0 HD2 PRO A 349 28.304 16.422 -0.072 1.00 6.34 H new ATOM 0 HD3 PRO A 349 29.520 15.182 0.162 1.00 6.34 H new ATOM 551 N SER A 350 28.167 16.835 5.137 1.00 6.79 N ATOM 552 CA SER A 350 27.447 17.722 6.040 1.00 7.31 C ATOM 553 C SER A 350 28.305 18.924 6.442 1.00 7.44 C ATOM 554 O SER A 350 27.812 19.879 7.043 1.00 7.86 O ATOM 555 CB SER A 350 26.998 16.937 7.272 1.00 8.11 C ATOM 556 OG SER A 350 27.998 16.009 7.665 1.00 8.24 O ATOM 0 H SER A 350 28.426 15.939 5.549 1.00 6.79 H new ATOM 0 HA SER A 350 26.570 18.111 5.523 1.00 7.31 H new ATOM 0 HB2 SER A 350 26.790 17.624 8.092 1.00 8.11 H new ATOM 0 HB3 SER A 350 26.069 16.409 7.055 1.00 8.11 H new ATOM 0 HG SER A 350 27.695 15.517 8.456 1.00 8.24 H new ATOM 562 N GLY A 351 29.592 18.866 6.111 1.00 7.35 N ATOM 563 CA GLY A 351 30.475 19.995 6.331 1.00 7.72 C ATOM 564 C GLY A 351 30.067 21.197 5.504 1.00 7.36 C ATOM 565 O GLY A 351 30.267 22.340 5.919 1.00 7.91 O ATOM 0 H GLY A 351 30.040 18.051 5.692 1.00 7.35 H new ATOM 0 HA2 GLY A 351 30.468 20.262 7.388 1.00 7.72 H new ATOM 0 HA3 GLY A 351 31.497 19.711 6.081 1.00 7.72 H new ATOM 569 N ASN A 352 29.513 20.921 4.318 1.00 6.68 N ATOM 570 CA ASN A 352 28.986 21.956 3.425 1.00 6.65 C ATOM 571 C ASN A 352 30.121 22.743 2.762 1.00 6.74 C ATOM 572 O ASN A 352 29.911 23.822 2.201 1.00 7.00 O ATOM 573 CB ASN A 352 28.029 22.886 4.196 1.00 6.99 C ATOM 574 CG ASN A 352 27.294 23.877 3.312 1.00 7.28 C ATOM 575 OD1 ASN A 352 27.018 23.604 2.144 1.00 7.60 O ATOM 576 ND2 ASN A 352 26.967 25.031 3.872 1.00 7.53 N ATOM 0 H ASN A 352 29.418 19.974 3.951 1.00 6.68 H new ATOM 0 HA ASN A 352 28.421 21.472 2.628 1.00 6.65 H new ATOM 0 HB2 ASN A 352 27.299 22.278 4.730 1.00 6.99 H new ATOM 0 HB3 ASN A 352 28.597 23.435 4.947 1.00 6.99 H new ATOM 0 HD21 ASN A 352 26.466 25.736 3.332 1.00 7.53 H new ATOM 0 HD22 ASN A 352 27.216 25.215 4.844 1.00 7.53 H new ATOM 583 N ASN A 353 31.324 22.178 2.783 1.00 6.86 N ATOM 584 CA ASN A 353 32.492 22.844 2.207 1.00 7.25 C ATOM 585 C ASN A 353 32.570 22.615 0.706 1.00 7.06 C ATOM 586 O ASN A 353 33.513 21.992 0.206 1.00 7.25 O ATOM 587 CB ASN A 353 33.783 22.369 2.880 1.00 8.01 C ATOM 588 CG ASN A 353 33.856 22.762 4.342 1.00 8.61 C ATOM 589 OD1 ASN A 353 34.314 23.855 4.684 1.00 8.84 O ATOM 590 ND2 ASN A 353 33.423 21.870 5.218 1.00 9.15 N ATOM 0 H ASN A 353 31.518 21.263 3.191 1.00 6.86 H new ATOM 0 HA ASN A 353 32.380 23.913 2.387 1.00 7.25 H new ATOM 0 HB2 ASN A 353 33.855 21.285 2.795 1.00 8.01 H new ATOM 0 HB3 ASN A 353 34.639 22.788 2.352 1.00 8.01 H new ATOM 0 HD21 ASN A 353 33.461 22.075 6.216 1.00 9.15 H new ATOM 0 HD22 ASN A 353 33.051 20.977 4.895 1.00 9.15 H new ATOM 597 N GLN A 354 31.568 23.126 0.005 1.00 6.98 N ATOM 598 CA GLN A 354 31.487 23.046 -1.448 1.00 7.10 C ATOM 599 C GLN A 354 30.205 23.706 -1.924 1.00 7.21 C ATOM 600 O GLN A 354 30.173 24.347 -2.974 1.00 7.45 O ATOM 601 CB GLN A 354 31.540 21.594 -1.948 1.00 7.49 C ATOM 602 CG GLN A 354 30.418 20.704 -1.434 1.00 7.80 C ATOM 603 CD GLN A 354 30.471 19.308 -2.019 1.00 8.26 C ATOM 604 OE1 GLN A 354 31.671 18.839 -2.325 1.00 8.50 O flip ATOM 605 NE2 GLN A 354 29.443 18.657 -2.202 1.00 8.68 N flip ATOM 0 H GLN A 354 30.780 23.613 0.432 1.00 6.98 H new ATOM 0 HA GLN A 354 32.351 23.568 -1.858 1.00 7.10 H new ATOM 0 HB2 GLN A 354 31.512 21.598 -3.038 1.00 7.49 H new ATOM 0 HB3 GLN A 354 32.495 21.158 -1.655 1.00 7.49 H new ATOM 0 HG2 GLN A 354 30.477 20.642 -0.347 1.00 7.80 H new ATOM 0 HG3 GLN A 354 29.458 21.159 -1.676 1.00 7.80 H new ATOM 0 HE21 GLN A 354 28.537 19.054 -1.953 1.00 8.68 H new ATOM 0 HE22 GLN A 354 29.497 17.721 -2.603 1.00 8.68 H new ATOM 614 N ASN A 355 29.151 23.544 -1.135 1.00 7.39 N ATOM 615 CA ASN A 355 27.859 24.122 -1.462 1.00 7.86 C ATOM 616 C ASN A 355 27.719 25.498 -0.820 1.00 7.88 C ATOM 617 O ASN A 355 27.200 26.422 -1.436 1.00 8.43 O ATOM 618 CB ASN A 355 26.738 23.186 -1.002 1.00 8.36 C ATOM 619 CG ASN A 355 25.349 23.743 -1.247 1.00 9.04 C ATOM 620 OD1 ASN A 355 24.806 23.628 -2.346 1.00 9.34 O ATOM 621 ND2 ASN A 355 24.747 24.313 -0.212 1.00 9.55 N ATOM 0 H ASN A 355 29.168 23.016 -0.263 1.00 7.39 H new ATOM 0 HA ASN A 355 27.784 24.244 -2.543 1.00 7.86 H new ATOM 0 HB2 ASN A 355 26.835 22.232 -1.521 1.00 8.36 H new ATOM 0 HB3 ASN A 355 26.858 22.984 0.062 1.00 8.36 H new ATOM 0 HD21 ASN A 355 23.799 24.676 -0.310 1.00 9.55 H new ATOM 0 HD22 ASN A 355 25.232 24.389 0.682 1.00 9.55 H new ATOM 628 N GLN A 356 28.217 25.612 0.413 1.00 7.55 N ATOM 629 CA GLN A 356 28.300 26.882 1.144 1.00 7.79 C ATOM 630 C GLN A 356 26.930 27.522 1.370 1.00 7.86 C ATOM 631 O GLN A 356 26.355 27.410 2.454 1.00 8.00 O ATOM 632 CB GLN A 356 29.224 27.875 0.426 1.00 8.09 C ATOM 633 CG GLN A 356 30.622 27.330 0.163 1.00 8.51 C ATOM 634 CD GLN A 356 31.342 26.885 1.427 1.00 8.98 C ATOM 635 OE1 GLN A 356 32.143 25.957 1.390 1.00 9.12 O ATOM 636 NE2 GLN A 356 31.084 27.556 2.543 1.00 9.48 N ATOM 0 H GLN A 356 28.579 24.817 0.940 1.00 7.55 H new ATOM 0 HA GLN A 356 28.719 26.643 2.121 1.00 7.79 H new ATOM 0 HB2 GLN A 356 28.770 28.159 -0.523 1.00 8.09 H new ATOM 0 HB3 GLN A 356 29.304 28.782 1.025 1.00 8.09 H new ATOM 0 HG2 GLN A 356 30.552 26.486 -0.523 1.00 8.51 H new ATOM 0 HG3 GLN A 356 31.216 28.097 -0.334 1.00 8.51 H new ATOM 0 HE21 GLN A 356 30.411 28.322 2.533 1.00 9.48 H new ATOM 0 HE22 GLN A 356 31.559 27.305 3.410 1.00 9.48 H new ATOM 645 N GLY A 357 26.413 28.180 0.344 1.00 8.09 N ATOM 646 CA GLY A 357 25.170 28.916 0.474 1.00 8.52 C ATOM 647 C GLY A 357 25.409 30.390 0.735 1.00 8.74 C ATOM 648 O GLY A 357 24.475 31.188 0.758 1.00 9.34 O ATOM 0 H GLY A 357 26.835 28.218 -0.584 1.00 8.09 H new ATOM 0 HA2 GLY A 357 24.582 28.799 -0.437 1.00 8.52 H new ATOM 0 HA3 GLY A 357 24.582 28.494 1.289 1.00 8.52 H new ATOM 652 N ASN A 358 26.669 30.739 0.946 1.00 8.53 N ATOM 653 CA ASN A 358 27.060 32.120 1.198 1.00 9.03 C ATOM 654 C ASN A 358 28.207 32.533 0.283 1.00 9.56 C ATOM 655 O ASN A 358 28.643 33.683 0.300 1.00 9.97 O ATOM 656 CB ASN A 358 27.494 32.300 2.657 1.00 8.90 C ATOM 657 CG ASN A 358 28.746 31.512 3.000 1.00 9.11 C ATOM 658 OD1 ASN A 358 28.978 30.418 2.482 1.00 9.38 O ATOM 659 ND2 ASN A 358 29.568 32.072 3.871 1.00 9.24 N ATOM 0 H ASN A 358 27.446 30.078 0.948 1.00 8.53 H new ATOM 0 HA ASN A 358 26.194 32.751 0.996 1.00 9.03 H new ATOM 0 HB2 ASN A 358 27.672 33.358 2.851 1.00 8.90 H new ATOM 0 HB3 ASN A 358 26.682 31.988 3.314 1.00 8.90 H new ATOM 0 HD21 ASN A 358 30.431 31.597 4.137 1.00 9.24 H new ATOM 0 HD22 ASN A 358 29.340 32.979 4.277 1.00 9.24 H new ATOM 666 N MET A 359 28.696 31.588 -0.512 1.00 9.75 N ATOM 667 CA MET A 359 29.838 31.837 -1.381 1.00 10.44 C ATOM 668 C MET A 359 29.468 31.579 -2.830 1.00 10.94 C ATOM 669 O MET A 359 29.238 30.436 -3.225 1.00 10.94 O ATOM 670 CB MET A 359 31.026 30.958 -0.986 1.00 10.66 C ATOM 671 CG MET A 359 31.615 31.296 0.372 1.00 10.96 C ATOM 672 SD MET A 359 32.270 32.976 0.453 1.00 11.53 S ATOM 673 CE MET A 359 32.905 33.007 2.126 1.00 12.03 C ATOM 0 H MET A 359 28.319 30.642 -0.572 1.00 9.75 H new ATOM 0 HA MET A 359 30.125 32.882 -1.267 1.00 10.44 H new ATOM 0 HB2 MET A 359 30.709 29.915 -0.985 1.00 10.66 H new ATOM 0 HB3 MET A 359 31.804 31.054 -1.743 1.00 10.66 H new ATOM 0 HG2 MET A 359 30.848 31.173 1.136 1.00 10.96 H new ATOM 0 HG3 MET A 359 32.412 30.589 0.603 1.00 10.96 H new ATOM 0 HE1 MET A 359 33.344 33.983 2.330 1.00 12.03 H new ATOM 0 HE2 MET A 359 32.092 32.821 2.827 1.00 12.03 H new ATOM 0 HE3 MET A 359 33.666 32.235 2.241 1.00 12.03 H new ATOM 683 N GLN A 360 29.380 32.645 -3.603 1.00 11.57 N ATOM 684 CA GLN A 360 29.077 32.535 -5.019 1.00 12.30 C ATOM 685 C GLN A 360 30.358 32.645 -5.832 1.00 12.97 C ATOM 686 O GLN A 360 30.856 31.605 -6.304 1.00 13.47 O ATOM 687 CB GLN A 360 28.088 33.625 -5.442 1.00 12.66 C ATOM 688 CG GLN A 360 27.632 33.518 -6.893 1.00 12.82 C ATOM 689 CD GLN A 360 26.710 32.336 -7.146 1.00 13.18 C ATOM 690 OE1 GLN A 360 26.797 31.302 -6.486 1.00 13.44 O ATOM 691 NE2 GLN A 360 25.820 32.485 -8.111 1.00 13.37 N ATOM 692 OXT GLN A 360 30.880 33.772 -5.973 1.00 13.14 O ATOM 0 H GLN A 360 29.514 33.601 -3.273 1.00 11.57 H new ATOM 0 HA GLN A 360 28.619 31.563 -5.205 1.00 12.30 H new ATOM 0 HB2 GLN A 360 27.214 33.580 -4.793 1.00 12.66 H new ATOM 0 HB3 GLN A 360 28.550 34.600 -5.288 1.00 12.66 H new ATOM 0 HG2 GLN A 360 27.119 34.437 -7.174 1.00 12.82 H new ATOM 0 HG3 GLN A 360 28.507 33.432 -7.537 1.00 12.82 H new ATOM 0 HE21 GLN A 360 25.779 33.358 -8.636 1.00 13.37 H new ATOM 0 HE22 GLN A 360 25.174 31.727 -8.331 1.00 13.37 H new TER 701 GLN A 360