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 352 ASN : amide:sc= -1.29 K(o=-2,f=-3.1!) USER MOD Set 1.2: A 354 GLN :FLIP amide:sc= -0.662 F(o=-3.1,f=-2) USER MOD Set 2.1: A 331 GLN : amide:sc= -0.0584 X(o=-0.24,f=-0.48) USER MOD Set 2.2: A 336 MET CE :methyl 168:sc= -0.179 (180deg=-0.597) 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 K(o=0,f=-0.6) USER MOD Single : A 322 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 323 MET CE :methyl -161:sc= -0.147 (180deg=-0.69) USER MOD Single : A 327 GLN : amide:sc= -0.135 X(o=-0.14,f=-0.13) USER MOD Single : A 332 SER OG : rot 180:sc= 0 USER MOD Single : A 333 SER OG : rot 96:sc= 1.24 USER MOD Single : A 337 MET CE :methyl -162:sc= -0.0614 (180deg=-0.473) USER MOD Single : A 339 MET CE :methyl 139:sc= -0.196 (180deg=-0.911) USER MOD Single : A 342 SER OG : rot 180:sc= -0.0314 USER MOD Single : A 344 GLN :FLIP amide:sc=-0.000913 F(o=-1.2,f=-0.00091) USER MOD Single : A 345 ASN : amide:sc= -0.369 K(o=-0.37,f=-5.2!) USER MOD Single : A 346 GLN : amide:sc= -0.846 K(o=-0.85,f=-2.6!) 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 353 ASN : amide:sc= -0.345 K(o=-0.34,f=-2.9!) USER MOD Single : A 355 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 356 GLN :FLIP amide:sc=-0.00724 F(o=-1.3!,f=-0.0072) USER MOD Single : A 358 ASN : amide:sc= -0.0545 K(o=-0.054,f=-1.7) USER MOD Single : A 359 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 360 GLN :FLIP amide:sc=-0.00411 F(o=-1.1,f=-0.0041) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 311 -44.461 -12.438 4.855 1.00 15.10 N ATOM 2 CA MET A 311 -43.482 -13.041 3.927 1.00 14.91 C ATOM 3 C MET A 311 -42.203 -12.213 3.921 1.00 14.01 C ATOM 4 O MET A 311 -41.306 -12.472 4.718 1.00 13.92 O ATOM 5 CB MET A 311 -44.062 -13.131 2.512 1.00 15.49 C ATOM 6 CG MET A 311 -45.338 -13.958 2.419 1.00 16.12 C ATOM 7 SD MET A 311 -46.099 -13.875 0.785 1.00 16.98 S ATOM 8 CE MET A 311 -47.521 -14.938 1.024 1.00 17.92 C ATOM 0 HA MET A 311 -43.254 -14.051 4.266 1.00 14.91 H new ATOM 0 HB2 MET A 311 -44.266 -12.124 2.149 1.00 15.49 H new ATOM 0 HB3 MET A 311 -43.312 -13.563 1.849 1.00 15.49 H new ATOM 0 HG2 MET A 311 -45.112 -14.997 2.658 1.00 16.12 H new ATOM 0 HG3 MET A 311 -46.050 -13.607 3.166 1.00 16.12 H new ATOM 0 HE1 MET A 311 -48.096 -14.990 0.099 1.00 17.92 H new ATOM 0 HE2 MET A 311 -47.186 -15.938 1.299 1.00 17.92 H new ATOM 0 HE3 MET A 311 -48.148 -14.534 1.819 1.00 17.92 H new ATOM 20 N ASN A 312 -42.151 -11.203 3.046 1.00 13.49 N ATOM 21 CA ASN A 312 -41.021 -10.264 2.962 1.00 12.74 C ATOM 22 C ASN A 312 -39.667 -10.964 3.027 1.00 12.32 C ATOM 23 O ASN A 312 -39.090 -11.126 4.101 1.00 12.29 O ATOM 24 CB ASN A 312 -41.109 -9.213 4.074 1.00 12.63 C ATOM 25 CG ASN A 312 -42.314 -8.311 3.921 1.00 12.56 C ATOM 26 OD1 ASN A 312 -43.374 -8.581 4.482 1.00 12.43 O ATOM 27 ND2 ASN A 312 -42.168 -7.234 3.165 1.00 12.87 N ATOM 0 H ASN A 312 -42.893 -11.011 2.373 1.00 13.49 H new ATOM 0 HA ASN A 312 -41.094 -9.779 1.989 1.00 12.74 H new ATOM 0 HB2 ASN A 312 -41.154 -9.714 5.041 1.00 12.63 H new ATOM 0 HB3 ASN A 312 -40.203 -8.608 4.071 1.00 12.63 H new ATOM 0 HD21 ASN A 312 -42.951 -6.594 3.032 1.00 12.87 H new ATOM 0 HD22 ASN A 312 -41.272 -7.044 2.716 1.00 12.87 H new ATOM 34 N PHE A 313 -39.158 -11.365 1.878 1.00 12.16 N ATOM 35 CA PHE A 313 -37.852 -11.994 1.816 1.00 11.96 C ATOM 36 C PHE A 313 -36.764 -10.935 1.977 1.00 11.11 C ATOM 37 O PHE A 313 -36.222 -10.751 3.067 1.00 11.29 O ATOM 38 CB PHE A 313 -37.680 -12.753 0.500 1.00 12.55 C ATOM 39 CG PHE A 313 -38.667 -13.872 0.314 1.00 13.17 C ATOM 40 CD1 PHE A 313 -38.462 -15.098 0.927 1.00 13.49 C ATOM 41 CD2 PHE A 313 -39.796 -13.699 -0.472 1.00 13.57 C ATOM 42 CE1 PHE A 313 -39.366 -16.130 0.759 1.00 14.21 C ATOM 43 CE2 PHE A 313 -40.703 -14.728 -0.642 1.00 14.27 C ATOM 44 CZ PHE A 313 -40.487 -15.944 -0.026 1.00 14.59 C ATOM 0 H PHE A 313 -39.627 -11.267 0.977 1.00 12.16 H new ATOM 0 HA PHE A 313 -37.766 -12.714 2.630 1.00 11.96 H new ATOM 0 HB2 PHE A 313 -37.778 -12.052 -0.329 1.00 12.55 H new ATOM 0 HB3 PHE A 313 -36.670 -13.160 0.455 1.00 12.55 H new ATOM 0 HD1 PHE A 313 -37.587 -15.248 1.542 1.00 13.49 H new ATOM 0 HD2 PHE A 313 -39.969 -12.750 -0.957 1.00 13.57 H new ATOM 0 HE1 PHE A 313 -39.196 -17.081 1.241 1.00 14.21 H new ATOM 0 HE2 PHE A 313 -41.579 -14.581 -1.256 1.00 14.27 H new ATOM 0 HZ PHE A 313 -41.194 -16.750 -0.158 1.00 14.59 H new ATOM 54 N GLY A 314 -36.458 -10.233 0.895 1.00 10.31 N ATOM 55 CA GLY A 314 -35.480 -9.156 0.949 1.00 9.52 C ATOM 56 C GLY A 314 -34.047 -9.649 1.060 1.00 8.89 C ATOM 57 O GLY A 314 -33.107 -8.894 0.816 1.00 8.22 O ATOM 0 H GLY A 314 -36.870 -10.388 -0.025 1.00 10.31 H new ATOM 0 HA2 GLY A 314 -35.577 -8.542 0.054 1.00 9.52 H new ATOM 0 HA3 GLY A 314 -35.703 -8.515 1.802 1.00 9.52 H new ATOM 61 N ALA A 315 -33.880 -10.921 1.408 1.00 9.30 N ATOM 62 CA ALA A 315 -32.561 -11.510 1.606 1.00 9.10 C ATOM 63 C ALA A 315 -31.761 -11.532 0.311 1.00 8.51 C ATOM 64 O ALA A 315 -30.532 -11.563 0.328 1.00 8.20 O ATOM 65 CB ALA A 315 -32.700 -12.918 2.164 1.00 10.04 C ATOM 0 H ALA A 315 -34.652 -11.570 1.560 1.00 9.30 H new ATOM 0 HA ALA A 315 -32.018 -10.891 2.321 1.00 9.10 H new ATOM 0 HB1 ALA A 315 -31.710 -13.351 2.309 1.00 10.04 H new ATOM 0 HB2 ALA A 315 -33.223 -12.881 3.119 1.00 10.04 H new ATOM 0 HB3 ALA A 315 -33.266 -13.533 1.464 1.00 10.04 H new ATOM 71 N PHE A 316 -32.471 -11.504 -0.810 1.00 8.63 N ATOM 72 CA PHE A 316 -31.839 -11.569 -2.118 1.00 8.47 C ATOM 73 C PHE A 316 -31.301 -10.202 -2.532 1.00 7.73 C ATOM 74 O PHE A 316 -30.395 -10.104 -3.359 1.00 7.72 O ATOM 75 CB PHE A 316 -32.836 -12.085 -3.159 1.00 9.29 C ATOM 76 CG PHE A 316 -33.480 -13.388 -2.769 1.00 10.04 C ATOM 77 CD1 PHE A 316 -32.777 -14.578 -2.873 1.00 10.37 C ATOM 78 CD2 PHE A 316 -34.784 -13.423 -2.304 1.00 10.61 C ATOM 79 CE1 PHE A 316 -33.364 -15.777 -2.519 1.00 11.22 C ATOM 80 CE2 PHE A 316 -35.376 -14.620 -1.950 1.00 11.44 C ATOM 81 CZ PHE A 316 -34.674 -15.787 -2.041 1.00 11.73 C ATOM 0 H PHE A 316 -33.488 -11.436 -0.837 1.00 8.63 H new ATOM 0 HA PHE A 316 -30.998 -12.260 -2.059 1.00 8.47 H new ATOM 0 HB2 PHE A 316 -33.612 -11.335 -3.312 1.00 9.29 H new ATOM 0 HB3 PHE A 316 -32.323 -12.212 -4.112 1.00 9.29 H new ATOM 0 HD1 PHE A 316 -31.759 -14.568 -3.235 1.00 10.37 H new ATOM 0 HD2 PHE A 316 -35.345 -12.504 -2.217 1.00 10.61 H new ATOM 0 HE1 PHE A 316 -32.812 -16.701 -2.612 1.00 11.22 H new ATOM 0 HE2 PHE A 316 -36.398 -14.632 -1.600 1.00 11.44 H new ATOM 0 HZ PHE A 316 -35.133 -16.718 -1.743 1.00 11.73 H new ATOM 91 N SER A 317 -31.856 -9.152 -1.950 1.00 7.38 N ATOM 92 CA SER A 317 -31.419 -7.799 -2.246 1.00 6.88 C ATOM 93 C SER A 317 -30.305 -7.392 -1.287 1.00 6.15 C ATOM 94 O SER A 317 -30.484 -7.433 -0.071 1.00 6.12 O ATOM 95 CB SER A 317 -32.598 -6.834 -2.125 1.00 7.20 C ATOM 96 OG SER A 317 -33.705 -7.286 -2.888 1.00 8.01 O ATOM 0 H SER A 317 -32.612 -9.212 -1.268 1.00 7.38 H new ATOM 0 HA SER A 317 -31.036 -7.762 -3.266 1.00 6.88 H new ATOM 0 HB2 SER A 317 -32.888 -6.738 -1.079 1.00 7.20 H new ATOM 0 HB3 SER A 317 -32.298 -5.843 -2.465 1.00 7.20 H new ATOM 0 HG SER A 317 -34.448 -6.653 -2.794 1.00 8.01 H new ATOM 102 N ILE A 318 -29.159 -7.015 -1.830 1.00 5.89 N ATOM 103 CA ILE A 318 -28.028 -6.602 -1.017 1.00 5.46 C ATOM 104 C ILE A 318 -27.889 -5.088 -1.041 1.00 5.05 C ATOM 105 O ILE A 318 -27.862 -4.477 -2.113 1.00 5.20 O ATOM 106 CB ILE A 318 -26.713 -7.251 -1.509 1.00 5.77 C ATOM 107 CG1 ILE A 318 -26.821 -8.778 -1.445 1.00 6.39 C ATOM 108 CG2 ILE A 318 -25.525 -6.763 -0.691 1.00 5.87 C ATOM 109 CD1 ILE A 318 -27.067 -9.317 -0.052 1.00 6.93 C ATOM 0 H ILE A 318 -28.988 -6.987 -2.835 1.00 5.89 H new ATOM 0 HA ILE A 318 -28.214 -6.935 0.004 1.00 5.46 H new ATOM 0 HB ILE A 318 -26.551 -6.955 -2.545 1.00 5.77 H new ATOM 0 HG12 ILE A 318 -27.631 -9.103 -2.098 1.00 6.39 H new ATOM 0 HG13 ILE A 318 -25.902 -9.214 -1.836 1.00 6.39 H new ATOM 0 HG21 ILE A 318 -24.613 -7.234 -1.057 1.00 5.87 H new ATOM 0 HG22 ILE A 318 -25.438 -5.681 -0.786 1.00 5.87 H new ATOM 0 HG23 ILE A 318 -25.673 -7.024 0.357 1.00 5.87 H new ATOM 0 HD11 ILE A 318 -27.131 -10.404 -0.089 1.00 6.93 H new ATOM 0 HD12 ILE A 318 -26.246 -9.024 0.602 1.00 6.93 H new ATOM 0 HD13 ILE A 318 -28.001 -8.911 0.335 1.00 6.93 H new ATOM 121 N ASN A 319 -27.811 -4.490 0.137 1.00 4.90 N ATOM 122 CA ASN A 319 -27.672 -3.046 0.255 1.00 4.82 C ATOM 123 C ASN A 319 -26.198 -2.669 0.335 1.00 4.38 C ATOM 124 O ASN A 319 -25.514 -3.015 1.300 1.00 4.39 O ATOM 125 CB ASN A 319 -28.413 -2.524 1.492 1.00 5.38 C ATOM 126 CG ASN A 319 -29.894 -2.854 1.477 1.00 6.06 C ATOM 127 OD1 ASN A 319 -30.506 -2.997 0.417 1.00 6.44 O ATOM 128 ND2 ASN A 319 -30.480 -2.964 2.658 1.00 6.59 N ATOM 0 H ASN A 319 -27.842 -4.984 1.029 1.00 4.90 H new ATOM 0 HA ASN A 319 -28.114 -2.587 -0.629 1.00 4.82 H new ATOM 0 HB2 ASN A 319 -27.960 -2.950 2.387 1.00 5.38 H new ATOM 0 HB3 ASN A 319 -28.288 -1.443 1.555 1.00 5.38 H new ATOM 0 HD21 ASN A 319 -31.476 -3.175 2.715 1.00 6.59 H new ATOM 0 HD22 ASN A 319 -29.935 -2.838 3.511 1.00 6.59 H new ATOM 135 N PRO A 320 -25.684 -1.977 -0.693 1.00 4.41 N ATOM 136 CA PRO A 320 -24.282 -1.560 -0.750 1.00 4.37 C ATOM 137 C PRO A 320 -23.965 -0.458 0.257 1.00 4.34 C ATOM 138 O PRO A 320 -24.148 0.730 -0.020 1.00 4.65 O ATOM 139 CB PRO A 320 -24.109 -1.040 -2.188 1.00 4.92 C ATOM 140 CG PRO A 320 -25.336 -1.477 -2.922 1.00 5.28 C ATOM 141 CD PRO A 320 -26.421 -1.555 -1.890 1.00 4.99 C ATOM 0 HA PRO A 320 -23.608 -2.380 -0.501 1.00 4.37 H new ATOM 0 HB2 PRO A 320 -24.008 0.045 -2.203 1.00 4.92 H new ATOM 0 HB3 PRO A 320 -23.210 -1.450 -2.648 1.00 4.92 H new ATOM 0 HG2 PRO A 320 -25.595 -0.768 -3.709 1.00 5.28 H new ATOM 0 HG3 PRO A 320 -25.182 -2.444 -3.402 1.00 5.28 H new ATOM 0 HD2 PRO A 320 -26.915 -0.594 -1.746 1.00 4.99 H new ATOM 0 HD3 PRO A 320 -27.194 -2.272 -2.166 1.00 4.99 H new ATOM 149 N ALA A 321 -23.490 -0.857 1.427 1.00 4.38 N ATOM 150 CA ALA A 321 -23.130 0.089 2.468 1.00 4.73 C ATOM 151 C ALA A 321 -21.798 -0.314 3.070 1.00 4.87 C ATOM 152 O ALA A 321 -20.818 0.424 2.991 1.00 4.83 O ATOM 153 CB ALA A 321 -24.212 0.143 3.538 1.00 5.47 C ATOM 0 H ALA A 321 -23.345 -1.835 1.679 1.00 4.38 H new ATOM 0 HA ALA A 321 -23.040 1.085 2.035 1.00 4.73 H new ATOM 0 HB1 ALA A 321 -23.925 0.857 4.310 1.00 5.47 H new ATOM 0 HB2 ALA A 321 -25.154 0.455 3.087 1.00 5.47 H new ATOM 0 HB3 ALA A 321 -24.332 -0.844 3.984 1.00 5.47 H new ATOM 159 N MET A 322 -21.767 -1.516 3.628 1.00 5.24 N ATOM 160 CA MET A 322 -20.545 -2.088 4.173 1.00 5.76 C ATOM 161 C MET A 322 -19.520 -2.290 3.061 1.00 5.34 C ATOM 162 O MET A 322 -18.326 -2.040 3.238 1.00 5.57 O ATOM 163 CB MET A 322 -20.875 -3.424 4.837 1.00 6.52 C ATOM 164 CG MET A 322 -19.657 -4.264 5.199 1.00 7.25 C ATOM 165 SD MET A 322 -18.608 -3.486 6.444 1.00 8.01 S ATOM 166 CE MET A 322 -17.277 -4.686 6.543 1.00 8.63 C ATOM 0 H MET A 322 -22.585 -2.120 3.715 1.00 5.24 H new ATOM 0 HA MET A 322 -20.120 -1.409 4.913 1.00 5.76 H new ATOM 0 HB2 MET A 322 -21.452 -3.233 5.742 1.00 6.52 H new ATOM 0 HB3 MET A 322 -21.513 -4.001 4.168 1.00 6.52 H new ATOM 0 HG2 MET A 322 -19.989 -5.235 5.567 1.00 7.25 H new ATOM 0 HG3 MET A 322 -19.069 -4.448 4.300 1.00 7.25 H new ATOM 0 HE1 MET A 322 -16.540 -4.352 7.273 1.00 8.63 H new ATOM 0 HE2 MET A 322 -17.680 -5.652 6.849 1.00 8.63 H new ATOM 0 HE3 MET A 322 -16.802 -4.784 5.567 1.00 8.63 H new ATOM 176 N MET A 323 -20.009 -2.702 1.899 1.00 4.92 N ATOM 177 CA MET A 323 -19.147 -2.917 0.746 1.00 4.86 C ATOM 178 C MET A 323 -18.785 -1.591 0.096 1.00 4.19 C ATOM 179 O MET A 323 -17.663 -1.404 -0.368 1.00 4.23 O ATOM 180 CB MET A 323 -19.826 -3.836 -0.275 1.00 5.17 C ATOM 181 CG MET A 323 -20.038 -5.253 0.229 1.00 5.75 C ATOM 182 SD MET A 323 -18.493 -6.059 0.693 1.00 6.61 S ATOM 183 CE MET A 323 -17.623 -6.032 -0.875 1.00 7.32 C ATOM 0 H MET A 323 -20.997 -2.894 1.731 1.00 4.92 H new ATOM 0 HA MET A 323 -18.233 -3.399 1.092 1.00 4.86 H new ATOM 0 HB2 MET A 323 -20.790 -3.409 -0.551 1.00 5.17 H new ATOM 0 HB3 MET A 323 -19.221 -3.868 -1.181 1.00 5.17 H new ATOM 0 HG2 MET A 323 -20.706 -5.233 1.090 1.00 5.75 H new ATOM 0 HG3 MET A 323 -20.532 -5.840 -0.545 1.00 5.75 H new ATOM 0 HE1 MET A 323 -16.820 -6.768 -0.858 1.00 7.32 H new ATOM 0 HE2 MET A 323 -18.317 -6.271 -1.681 1.00 7.32 H new ATOM 0 HE3 MET A 323 -17.202 -5.040 -1.041 1.00 7.32 H new ATOM 193 N ALA A 324 -19.736 -0.661 0.095 1.00 3.85 N ATOM 194 CA ALA A 324 -19.536 0.642 -0.525 1.00 3.64 C ATOM 195 C ALA A 324 -18.457 1.434 0.204 1.00 3.69 C ATOM 196 O ALA A 324 -17.610 2.073 -0.420 1.00 3.64 O ATOM 197 CB ALA A 324 -20.846 1.413 -0.542 1.00 3.87 C ATOM 0 H ALA A 324 -20.655 -0.788 0.519 1.00 3.85 H new ATOM 0 HA ALA A 324 -19.201 0.490 -1.551 1.00 3.64 H new ATOM 0 HB1 ALA A 324 -20.689 2.386 -1.007 1.00 3.87 H new ATOM 0 HB2 ALA A 324 -21.589 0.855 -1.111 1.00 3.87 H new ATOM 0 HB3 ALA A 324 -21.200 1.552 0.480 1.00 3.87 H new ATOM 203 N ALA A 325 -18.480 1.366 1.531 1.00 4.10 N ATOM 204 CA ALA A 325 -17.472 2.029 2.343 1.00 4.50 C ATOM 205 C ALA A 325 -16.111 1.379 2.132 1.00 4.36 C ATOM 206 O ALA A 325 -15.085 2.059 2.079 1.00 4.39 O ATOM 207 CB ALA A 325 -17.866 1.991 3.815 1.00 5.40 C ATOM 0 H ALA A 325 -19.186 0.858 2.064 1.00 4.10 H new ATOM 0 HA ALA A 325 -17.405 3.072 2.034 1.00 4.50 H new ATOM 0 HB1 ALA A 325 -17.101 2.491 4.409 1.00 5.40 H new ATOM 0 HB2 ALA A 325 -18.821 2.500 3.949 1.00 5.40 H new ATOM 0 HB3 ALA A 325 -17.958 0.955 4.140 1.00 5.40 H new ATOM 213 N ALA A 326 -16.119 0.060 1.983 1.00 4.45 N ATOM 214 CA ALA A 326 -14.897 -0.708 1.774 1.00 4.76 C ATOM 215 C ALA A 326 -14.216 -0.327 0.460 1.00 4.25 C ATOM 216 O ALA A 326 -12.993 -0.193 0.406 1.00 4.39 O ATOM 217 CB ALA A 326 -15.196 -2.198 1.806 1.00 5.39 C ATOM 0 H ALA A 326 -16.968 -0.505 2.003 1.00 4.45 H new ATOM 0 HA ALA A 326 -14.210 -0.470 2.586 1.00 4.76 H new ATOM 0 HB1 ALA A 326 -14.274 -2.758 1.649 1.00 5.39 H new ATOM 0 HB2 ALA A 326 -15.621 -2.463 2.774 1.00 5.39 H new ATOM 0 HB3 ALA A 326 -15.908 -2.443 1.018 1.00 5.39 H new ATOM 223 N GLN A 327 -15.011 -0.135 -0.589 1.00 3.89 N ATOM 224 CA GLN A 327 -14.477 0.180 -1.914 1.00 3.88 C ATOM 225 C GLN A 327 -13.681 1.482 -1.890 1.00 3.54 C ATOM 226 O GLN A 327 -12.628 1.594 -2.520 1.00 3.70 O ATOM 227 CB GLN A 327 -15.605 0.296 -2.943 1.00 4.13 C ATOM 228 CG GLN A 327 -16.428 -0.972 -3.124 1.00 4.57 C ATOM 229 CD GLN A 327 -15.592 -2.180 -3.492 1.00 5.04 C ATOM 230 OE1 GLN A 327 -15.339 -2.442 -4.668 1.00 5.37 O ATOM 231 NE2 GLN A 327 -15.178 -2.938 -2.491 1.00 5.52 N ATOM 0 H GLN A 327 -16.029 -0.192 -0.549 1.00 3.89 H new ATOM 0 HA GLN A 327 -13.813 -0.636 -2.199 1.00 3.88 H new ATOM 0 HB2 GLN A 327 -16.270 1.106 -2.644 1.00 4.13 H new ATOM 0 HB3 GLN A 327 -15.175 0.575 -3.905 1.00 4.13 H new ATOM 0 HG2 GLN A 327 -16.969 -1.181 -2.201 1.00 4.57 H new ATOM 0 HG3 GLN A 327 -17.174 -0.805 -3.901 1.00 4.57 H new ATOM 0 HE21 GLN A 327 -15.409 -2.685 -1.530 1.00 5.52 H new ATOM 0 HE22 GLN A 327 -14.627 -3.775 -2.679 1.00 5.52 H new ATOM 240 N ALA A 328 -14.180 2.462 -1.156 1.00 3.40 N ATOM 241 CA ALA A 328 -13.511 3.745 -1.058 1.00 3.60 C ATOM 242 C ALA A 328 -12.306 3.663 -0.130 1.00 3.61 C ATOM 243 O ALA A 328 -11.257 4.246 -0.405 1.00 3.68 O ATOM 244 CB ALA A 328 -14.480 4.812 -0.580 1.00 4.16 C ATOM 0 H ALA A 328 -15.045 2.393 -0.620 1.00 3.40 H new ATOM 0 HA ALA A 328 -13.154 4.018 -2.051 1.00 3.60 H new ATOM 0 HB1 ALA A 328 -13.963 5.769 -0.512 1.00 4.16 H new ATOM 0 HB2 ALA A 328 -15.306 4.896 -1.286 1.00 4.16 H new ATOM 0 HB3 ALA A 328 -14.868 4.538 0.401 1.00 4.16 H new ATOM 250 N ALA A 329 -12.456 2.911 0.955 1.00 3.87 N ATOM 251 CA ALA A 329 -11.409 2.796 1.967 1.00 4.31 C ATOM 252 C ALA A 329 -10.154 2.125 1.415 1.00 4.02 C ATOM 253 O ALA A 329 -9.037 2.599 1.640 1.00 4.18 O ATOM 254 CB ALA A 329 -11.930 2.029 3.169 1.00 5.14 C ATOM 0 H ALA A 329 -13.296 2.369 1.158 1.00 3.87 H new ATOM 0 HA ALA A 329 -11.132 3.805 2.273 1.00 4.31 H new ATOM 0 HB1 ALA A 329 -11.143 1.948 3.918 1.00 5.14 H new ATOM 0 HB2 ALA A 329 -12.784 2.556 3.595 1.00 5.14 H new ATOM 0 HB3 ALA A 329 -12.239 1.031 2.858 1.00 5.14 H new ATOM 260 N LEU A 330 -10.347 1.034 0.677 1.00 3.86 N ATOM 261 CA LEU A 330 -9.235 0.239 0.152 1.00 4.05 C ATOM 262 C LEU A 330 -8.277 1.076 -0.697 1.00 3.61 C ATOM 263 O LEU A 330 -7.079 0.795 -0.746 1.00 3.83 O ATOM 264 CB LEU A 330 -9.764 -0.933 -0.683 1.00 4.52 C ATOM 265 CG LEU A 330 -10.552 -1.989 0.093 1.00 5.18 C ATOM 266 CD1 LEU A 330 -11.096 -3.052 -0.850 1.00 5.96 C ATOM 267 CD2 LEU A 330 -9.678 -2.622 1.165 1.00 5.66 C ATOM 0 H LEU A 330 -11.269 0.677 0.427 1.00 3.86 H new ATOM 0 HA LEU A 330 -8.681 -0.139 1.011 1.00 4.05 H new ATOM 0 HB2 LEU A 330 -10.402 -0.536 -1.472 1.00 4.52 H new ATOM 0 HB3 LEU A 330 -8.919 -1.420 -1.170 1.00 4.52 H new ATOM 0 HG LEU A 330 -11.396 -1.500 0.580 1.00 5.18 H new ATOM 0 HD11 LEU A 330 -11.654 -3.794 -0.279 1.00 5.96 H new ATOM 0 HD12 LEU A 330 -11.756 -2.586 -1.581 1.00 5.96 H new ATOM 0 HD13 LEU A 330 -10.268 -3.538 -1.366 1.00 5.96 H new ATOM 0 HD21 LEU A 330 -10.254 -3.371 1.708 1.00 5.66 H new ATOM 0 HD22 LEU A 330 -8.815 -3.096 0.698 1.00 5.66 H new ATOM 0 HD23 LEU A 330 -9.338 -1.853 1.858 1.00 5.66 H new ATOM 279 N GLN A 331 -8.810 2.103 -1.350 1.00 3.29 N ATOM 280 CA GLN A 331 -8.022 2.951 -2.239 1.00 3.38 C ATOM 281 C GLN A 331 -6.883 3.644 -1.486 1.00 3.36 C ATOM 282 O GLN A 331 -5.720 3.557 -1.886 1.00 3.53 O ATOM 283 CB GLN A 331 -8.936 3.986 -2.907 1.00 3.75 C ATOM 284 CG GLN A 331 -8.220 4.954 -3.841 1.00 4.36 C ATOM 285 CD GLN A 331 -7.435 4.257 -4.936 1.00 4.72 C ATOM 286 OE1 GLN A 331 -6.242 4.000 -4.795 1.00 5.26 O ATOM 287 NE2 GLN A 331 -8.102 3.927 -6.028 1.00 4.88 N ATOM 0 H GLN A 331 -9.792 2.370 -1.280 1.00 3.29 H new ATOM 0 HA GLN A 331 -7.570 2.321 -3.006 1.00 3.38 H new ATOM 0 HB2 GLN A 331 -9.707 3.461 -3.471 1.00 3.75 H new ATOM 0 HB3 GLN A 331 -9.443 4.559 -2.131 1.00 3.75 H new ATOM 0 HG2 GLN A 331 -8.954 5.619 -4.296 1.00 4.36 H new ATOM 0 HG3 GLN A 331 -7.542 5.578 -3.258 1.00 4.36 H new ATOM 0 HE21 GLN A 331 -9.092 4.157 -6.110 1.00 4.88 H new ATOM 0 HE22 GLN A 331 -7.626 3.442 -6.789 1.00 4.88 H new ATOM 296 N SER A 332 -7.211 4.316 -0.395 1.00 3.52 N ATOM 297 CA SER A 332 -6.215 5.071 0.353 1.00 4.01 C ATOM 298 C SER A 332 -5.464 4.168 1.334 1.00 4.13 C ATOM 299 O SER A 332 -4.287 4.390 1.623 1.00 4.40 O ATOM 300 CB SER A 332 -6.883 6.223 1.106 1.00 4.82 C ATOM 301 OG SER A 332 -5.922 7.115 1.645 1.00 5.25 O ATOM 0 H SER A 332 -8.154 4.355 -0.008 1.00 3.52 H new ATOM 0 HA SER A 332 -5.494 5.478 -0.356 1.00 4.01 H new ATOM 0 HB2 SER A 332 -7.546 6.765 0.431 1.00 4.82 H new ATOM 0 HB3 SER A 332 -7.502 5.824 1.909 1.00 4.82 H new ATOM 0 HG SER A 332 -6.379 7.841 2.119 1.00 5.25 H new ATOM 307 N SER A 333 -6.150 3.139 1.823 1.00 4.24 N ATOM 308 CA SER A 333 -5.586 2.248 2.821 1.00 4.87 C ATOM 309 C SER A 333 -4.480 1.369 2.240 1.00 4.69 C ATOM 310 O SER A 333 -3.463 1.125 2.890 1.00 5.07 O ATOM 311 CB SER A 333 -6.685 1.369 3.423 1.00 5.50 C ATOM 312 OG SER A 333 -7.741 2.158 3.950 1.00 6.18 O ATOM 0 H SER A 333 -7.101 2.904 1.540 1.00 4.24 H new ATOM 0 HA SER A 333 -5.144 2.868 3.601 1.00 4.87 H new ATOM 0 HB2 SER A 333 -7.076 0.697 2.659 1.00 5.50 H new ATOM 0 HB3 SER A 333 -6.265 0.745 4.212 1.00 5.50 H new ATOM 0 HG SER A 333 -8.453 2.239 3.282 1.00 6.18 H new ATOM 318 N TRP A 334 -4.682 0.889 1.019 1.00 4.36 N ATOM 319 CA TRP A 334 -3.762 -0.069 0.425 1.00 4.61 C ATOM 320 C TRP A 334 -3.413 0.324 -1.008 1.00 4.24 C ATOM 321 O TRP A 334 -4.264 0.810 -1.752 1.00 3.98 O ATOM 322 CB TRP A 334 -4.389 -1.468 0.463 1.00 5.51 C ATOM 323 CG TRP A 334 -3.518 -2.547 -0.105 1.00 6.03 C ATOM 324 CD1 TRP A 334 -2.397 -3.081 0.463 1.00 6.54 C ATOM 325 CD2 TRP A 334 -3.703 -3.228 -1.349 1.00 6.46 C ATOM 326 NE1 TRP A 334 -1.873 -4.053 -0.355 1.00 7.16 N ATOM 327 CE2 TRP A 334 -2.656 -4.161 -1.475 1.00 7.11 C ATOM 328 CE3 TRP A 334 -4.654 -3.141 -2.369 1.00 6.66 C ATOM 329 CZ2 TRP A 334 -2.538 -5.000 -2.575 1.00 7.83 C ATOM 330 CZ3 TRP A 334 -4.531 -3.970 -3.467 1.00 7.45 C ATOM 331 CH2 TRP A 334 -3.478 -4.890 -3.561 1.00 7.97 C ATOM 0 H TRP A 334 -5.470 1.146 0.425 1.00 4.36 H new ATOM 0 HA TRP A 334 -2.837 -0.073 1.001 1.00 4.61 H new ATOM 0 HB2 TRP A 334 -4.631 -1.718 1.496 1.00 5.51 H new ATOM 0 HB3 TRP A 334 -5.329 -1.448 -0.088 1.00 5.51 H new ATOM 0 HD1 TRP A 334 -1.983 -2.783 1.415 1.00 6.54 H new ATOM 0 HE1 TRP A 334 -1.037 -4.604 -0.160 1.00 7.16 H new ATOM 0 HE3 TRP A 334 -5.471 -2.438 -2.300 1.00 6.66 H new ATOM 0 HZ2 TRP A 334 -1.732 -5.715 -2.649 1.00 7.83 H new ATOM 0 HZ3 TRP A 334 -5.257 -3.908 -4.264 1.00 7.45 H new ATOM 0 HH2 TRP A 334 -3.408 -5.526 -4.431 1.00 7.97 H new ATOM 342 N GLY A 335 -2.149 0.137 -1.380 1.00 4.55 N ATOM 343 CA GLY A 335 -1.729 0.379 -2.748 1.00 4.68 C ATOM 344 C GLY A 335 -1.328 1.817 -2.994 1.00 4.16 C ATOM 345 O GLY A 335 -0.749 2.141 -4.032 1.00 4.48 O ATOM 0 H GLY A 335 -1.407 -0.179 -0.755 1.00 4.55 H new ATOM 0 HA2 GLY A 335 -0.889 -0.273 -2.986 1.00 4.68 H new ATOM 0 HA3 GLY A 335 -2.541 0.112 -3.425 1.00 4.68 H new ATOM 349 N MET A 336 -1.635 2.675 -2.037 1.00 3.70 N ATOM 350 CA MET A 336 -1.333 4.096 -2.152 1.00 3.47 C ATOM 351 C MET A 336 0.158 4.346 -1.953 1.00 3.74 C ATOM 352 O MET A 336 0.715 4.032 -0.900 1.00 4.01 O ATOM 353 CB MET A 336 -2.142 4.897 -1.127 1.00 3.41 C ATOM 354 CG MET A 336 -1.941 6.404 -1.227 1.00 3.73 C ATOM 355 SD MET A 336 -2.450 7.074 -2.825 1.00 4.20 S ATOM 356 CE MET A 336 -4.195 6.660 -2.828 1.00 5.08 C ATOM 0 H MET A 336 -2.096 2.413 -1.166 1.00 3.70 H new ATOM 0 HA MET A 336 -1.609 4.425 -3.154 1.00 3.47 H new ATOM 0 HB2 MET A 336 -3.200 4.672 -1.257 1.00 3.41 H new ATOM 0 HB3 MET A 336 -1.867 4.569 -0.125 1.00 3.41 H new ATOM 0 HG2 MET A 336 -2.507 6.895 -0.435 1.00 3.73 H new ATOM 0 HG3 MET A 336 -0.890 6.638 -1.059 1.00 3.73 H new ATOM 0 HE1 MET A 336 -4.693 7.188 -3.641 1.00 5.08 H new ATOM 0 HE2 MET A 336 -4.314 5.585 -2.967 1.00 5.08 H new ATOM 0 HE3 MET A 336 -4.641 6.955 -1.878 1.00 5.08 H new ATOM 366 N MET A 337 0.801 4.889 -2.981 1.00 4.13 N ATOM 367 CA MET A 337 2.219 5.218 -2.919 1.00 4.69 C ATOM 368 C MET A 337 2.403 6.731 -2.909 1.00 4.24 C ATOM 369 O MET A 337 1.862 7.444 -3.758 1.00 3.85 O ATOM 370 CB MET A 337 2.966 4.601 -4.106 1.00 5.56 C ATOM 371 CG MET A 337 2.906 3.080 -4.148 1.00 6.32 C ATOM 372 SD MET A 337 3.688 2.304 -2.716 1.00 7.23 S ATOM 373 CE MET A 337 5.396 2.805 -2.948 1.00 8.06 C ATOM 0 H MET A 337 0.358 5.112 -3.873 1.00 4.13 H new ATOM 0 HA MET A 337 2.633 4.805 -1.999 1.00 4.69 H new ATOM 0 HB2 MET A 337 2.548 4.997 -5.032 1.00 5.56 H new ATOM 0 HB3 MET A 337 4.010 4.913 -4.068 1.00 5.56 H new ATOM 0 HG2 MET A 337 1.864 2.764 -4.202 1.00 6.32 H new ATOM 0 HG3 MET A 337 3.393 2.727 -5.057 1.00 6.32 H new ATOM 0 HE1 MET A 337 6.047 2.164 -2.353 1.00 8.06 H new ATOM 0 HE2 MET A 337 5.662 2.715 -4.001 1.00 8.06 H new ATOM 0 HE3 MET A 337 5.518 3.841 -2.631 1.00 8.06 H new ATOM 383 N GLY A 338 3.170 7.205 -1.939 1.00 4.64 N ATOM 384 CA GLY A 338 3.320 8.624 -1.709 1.00 4.49 C ATOM 385 C GLY A 338 4.045 9.346 -2.823 1.00 4.59 C ATOM 386 O GLY A 338 3.685 10.468 -3.171 1.00 4.39 O ATOM 0 H GLY A 338 3.700 6.617 -1.296 1.00 4.64 H new ATOM 0 HA2 GLY A 338 2.333 9.069 -1.581 1.00 4.49 H new ATOM 0 HA3 GLY A 338 3.862 8.777 -0.776 1.00 4.49 H new ATOM 390 N MET A 339 5.063 8.707 -3.385 1.00 5.28 N ATOM 391 CA MET A 339 5.904 9.357 -4.382 1.00 5.81 C ATOM 392 C MET A 339 5.132 9.702 -5.653 1.00 5.61 C ATOM 393 O MET A 339 5.328 10.769 -6.229 1.00 6.06 O ATOM 394 CB MET A 339 7.122 8.496 -4.728 1.00 6.87 C ATOM 395 CG MET A 339 8.158 8.435 -3.618 1.00 7.56 C ATOM 396 SD MET A 339 9.663 7.579 -4.116 1.00 8.38 S ATOM 397 CE MET A 339 10.222 8.627 -5.459 1.00 9.13 C ATOM 0 H MET A 339 5.325 7.745 -3.169 1.00 5.28 H new ATOM 0 HA MET A 339 6.247 10.290 -3.935 1.00 5.81 H new ATOM 0 HB2 MET A 339 6.788 7.484 -4.958 1.00 6.87 H new ATOM 0 HB3 MET A 339 7.591 8.890 -5.630 1.00 6.87 H new ATOM 0 HG2 MET A 339 8.408 9.448 -3.305 1.00 7.56 H new ATOM 0 HG3 MET A 339 7.728 7.931 -2.753 1.00 7.56 H new ATOM 0 HE1 MET A 339 11.304 8.747 -5.401 1.00 9.13 H new ATOM 0 HE2 MET A 339 9.959 8.168 -6.412 1.00 9.13 H new ATOM 0 HE3 MET A 339 9.744 9.603 -5.382 1.00 9.13 H new ATOM 407 N LEU A 340 4.251 8.811 -6.090 1.00 5.18 N ATOM 408 CA LEU A 340 3.473 9.059 -7.302 1.00 5.41 C ATOM 409 C LEU A 340 2.307 9.997 -7.014 1.00 5.02 C ATOM 410 O LEU A 340 1.727 10.590 -7.925 1.00 5.64 O ATOM 411 CB LEU A 340 2.990 7.740 -7.923 1.00 5.55 C ATOM 412 CG LEU A 340 2.224 6.789 -6.994 1.00 6.05 C ATOM 413 CD1 LEU A 340 0.754 7.176 -6.889 1.00 6.16 C ATOM 414 CD2 LEU A 340 2.362 5.359 -7.485 1.00 7.07 C ATOM 0 H LEU A 340 4.057 7.921 -5.632 1.00 5.18 H new ATOM 0 HA LEU A 340 4.121 9.548 -8.029 1.00 5.41 H new ATOM 0 HB2 LEU A 340 2.350 7.977 -8.773 1.00 5.55 H new ATOM 0 HB3 LEU A 340 3.857 7.209 -8.315 1.00 5.55 H new ATOM 0 HG LEU A 340 2.658 6.868 -5.997 1.00 6.05 H new ATOM 0 HD11 LEU A 340 0.242 6.481 -6.223 1.00 6.16 H new ATOM 0 HD12 LEU A 340 0.672 8.188 -6.491 1.00 6.16 H new ATOM 0 HD13 LEU A 340 0.296 7.136 -7.877 1.00 6.16 H new ATOM 0 HD21 LEU A 340 1.815 4.691 -6.819 1.00 7.07 H new ATOM 0 HD22 LEU A 340 1.955 5.280 -8.493 1.00 7.07 H new ATOM 0 HD23 LEU A 340 3.415 5.078 -7.496 1.00 7.07 H new ATOM 426 N ALA A 341 1.977 10.136 -5.738 1.00 4.36 N ATOM 427 CA ALA A 341 0.901 11.023 -5.321 1.00 4.43 C ATOM 428 C ALA A 341 1.430 12.431 -5.075 1.00 4.77 C ATOM 429 O ALA A 341 0.661 13.370 -4.880 1.00 5.40 O ATOM 430 CB ALA A 341 0.221 10.486 -4.069 1.00 4.13 C ATOM 0 H ALA A 341 2.440 9.645 -4.973 1.00 4.36 H new ATOM 0 HA ALA A 341 0.165 11.067 -6.123 1.00 4.43 H new ATOM 0 HB1 ALA A 341 -0.581 11.162 -3.772 1.00 4.13 H new ATOM 0 HB2 ALA A 341 -0.194 9.499 -4.275 1.00 4.13 H new ATOM 0 HB3 ALA A 341 0.950 10.412 -3.262 1.00 4.13 H new ATOM 436 N SER A 342 2.751 12.566 -5.074 1.00 4.71 N ATOM 437 CA SER A 342 3.394 13.855 -4.875 1.00 5.21 C ATOM 438 C SER A 342 4.719 13.916 -5.635 1.00 4.78 C ATOM 439 O SER A 342 5.795 13.714 -5.062 1.00 4.60 O ATOM 440 CB SER A 342 3.620 14.103 -3.380 1.00 5.76 C ATOM 441 OG SER A 342 2.393 14.037 -2.669 1.00 6.25 O ATOM 0 H SER A 342 3.400 11.791 -5.210 1.00 4.71 H new ATOM 0 HA SER A 342 2.741 14.636 -5.265 1.00 5.21 H new ATOM 0 HB2 SER A 342 4.315 13.363 -2.985 1.00 5.76 H new ATOM 0 HB3 SER A 342 4.079 15.081 -3.234 1.00 5.76 H new ATOM 0 HG SER A 342 2.558 14.196 -1.716 1.00 6.25 H new ATOM 447 N ARG A 343 4.632 14.165 -6.936 1.00 4.96 N ATOM 448 CA ARG A 343 5.818 14.262 -7.776 1.00 4.86 C ATOM 449 C ARG A 343 6.484 15.623 -7.612 1.00 4.76 C ATOM 450 O ARG A 343 6.080 16.612 -8.225 1.00 5.40 O ATOM 451 CB ARG A 343 5.456 14.012 -9.245 1.00 5.67 C ATOM 452 CG ARG A 343 6.650 13.963 -10.196 1.00 6.12 C ATOM 453 CD ARG A 343 7.629 12.853 -9.833 1.00 6.82 C ATOM 454 NE ARG A 343 8.576 13.263 -8.792 1.00 7.18 N ATOM 455 CZ ARG A 343 8.683 12.675 -7.599 1.00 7.92 C ATOM 456 NH1 ARG A 343 7.900 11.652 -7.283 1.00 8.35 N ATOM 457 NH2 ARG A 343 9.571 13.114 -6.719 1.00 8.49 N ATOM 0 H ARG A 343 3.752 14.303 -7.432 1.00 4.96 H new ATOM 0 HA ARG A 343 6.526 13.496 -7.460 1.00 4.86 H new ATOM 0 HB2 ARG A 343 4.913 13.070 -9.316 1.00 5.67 H new ATOM 0 HB3 ARG A 343 4.777 14.797 -9.577 1.00 5.67 H new ATOM 0 HG2 ARG A 343 6.295 13.813 -11.215 1.00 6.12 H new ATOM 0 HG3 ARG A 343 7.167 14.922 -10.177 1.00 6.12 H new ATOM 0 HD2 ARG A 343 7.074 11.979 -9.492 1.00 6.82 H new ATOM 0 HD3 ARG A 343 8.180 12.552 -10.724 1.00 6.82 H new ATOM 0 HE ARG A 343 9.194 14.049 -8.993 1.00 7.18 H new ATOM 0 HH11 ARG A 343 7.211 11.311 -7.954 1.00 8.35 H new ATOM 0 HH12 ARG A 343 7.987 11.207 -6.369 1.00 8.35 H new ATOM 0 HH21 ARG A 343 10.174 13.903 -6.953 1.00 8.49 H new ATOM 0 HH22 ARG A 343 9.651 12.663 -5.807 1.00 8.49 H new ATOM 471 N GLN A 344 7.495 15.666 -6.759 1.00 4.30 N ATOM 472 CA GLN A 344 8.262 16.882 -6.536 1.00 4.47 C ATOM 473 C GLN A 344 9.595 16.790 -7.265 1.00 4.38 C ATOM 474 O GLN A 344 10.152 15.701 -7.415 1.00 4.22 O ATOM 475 CB GLN A 344 8.517 17.081 -5.042 1.00 4.62 C ATOM 476 CG GLN A 344 7.255 17.132 -4.197 1.00 5.14 C ATOM 477 CD GLN A 344 7.556 17.338 -2.724 1.00 5.62 C ATOM 478 OE1 GLN A 344 8.634 18.053 -2.435 1.00 6.10 O flip ATOM 479 NE2 GLN A 344 6.822 16.873 -1.854 1.00 5.93 N flip ATOM 0 H GLN A 344 7.805 14.867 -6.206 1.00 4.30 H new ATOM 0 HA GLN A 344 7.692 17.729 -6.918 1.00 4.47 H new ATOM 0 HB2 GLN A 344 9.150 16.270 -4.682 1.00 4.62 H new ATOM 0 HB3 GLN A 344 9.074 18.007 -4.900 1.00 4.62 H new ATOM 0 HG2 GLN A 344 6.616 17.940 -4.551 1.00 5.14 H new ATOM 0 HG3 GLN A 344 6.697 16.205 -4.325 1.00 5.14 H new ATOM 0 HE21 GLN A 344 6.001 16.328 -2.117 1.00 5.93 H new ATOM 0 HE22 GLN A 344 7.034 17.033 -0.869 1.00 5.93 H new ATOM 488 N ASN A 345 10.102 17.927 -7.717 1.00 4.85 N ATOM 489 CA ASN A 345 11.410 17.974 -8.347 1.00 4.99 C ATOM 490 C ASN A 345 12.477 17.840 -7.269 1.00 4.91 C ATOM 491 O ASN A 345 12.489 18.602 -6.303 1.00 5.29 O ATOM 492 CB ASN A 345 11.581 19.288 -9.124 1.00 5.88 C ATOM 493 CG ASN A 345 12.845 19.325 -9.973 1.00 6.35 C ATOM 494 OD1 ASN A 345 13.862 18.721 -9.638 1.00 6.50 O ATOM 495 ND2 ASN A 345 12.792 20.044 -11.082 1.00 6.96 N ATOM 0 H ASN A 345 9.627 18.828 -7.659 1.00 4.85 H new ATOM 0 HA ASN A 345 11.509 17.153 -9.057 1.00 4.99 H new ATOM 0 HB2 ASN A 345 10.714 19.437 -9.768 1.00 5.88 H new ATOM 0 HB3 ASN A 345 11.601 20.119 -8.419 1.00 5.88 H new ATOM 0 HD21 ASN A 345 13.610 20.109 -11.687 1.00 6.96 H new ATOM 0 HD22 ASN A 345 11.933 20.533 -11.332 1.00 6.96 H new ATOM 502 N GLN A 346 13.370 16.877 -7.437 1.00 4.79 N ATOM 503 CA GLN A 346 14.327 16.544 -6.394 1.00 5.00 C ATOM 504 C GLN A 346 15.614 17.344 -6.538 1.00 5.26 C ATOM 505 O GLN A 346 16.187 17.442 -7.628 1.00 5.28 O ATOM 506 CB GLN A 346 14.638 15.047 -6.422 1.00 5.09 C ATOM 507 CG GLN A 346 13.414 14.161 -6.222 1.00 5.54 C ATOM 508 CD GLN A 346 12.768 14.337 -4.860 1.00 5.92 C ATOM 509 OE1 GLN A 346 11.548 14.216 -4.720 1.00 6.41 O ATOM 510 NE2 GLN A 346 13.577 14.592 -3.841 1.00 6.10 N ATOM 0 H GLN A 346 13.452 16.314 -8.283 1.00 4.79 H new ATOM 0 HA GLN A 346 13.876 16.803 -5.436 1.00 5.00 H new ATOM 0 HB2 GLN A 346 15.102 14.800 -7.377 1.00 5.09 H new ATOM 0 HB3 GLN A 346 15.369 14.822 -5.645 1.00 5.09 H new ATOM 0 HG2 GLN A 346 12.681 14.384 -6.997 1.00 5.54 H new ATOM 0 HG3 GLN A 346 13.703 13.118 -6.348 1.00 5.54 H new ATOM 0 HE21 GLN A 346 14.581 14.685 -3.998 1.00 6.10 H new ATOM 0 HE22 GLN A 346 13.196 14.695 -2.901 1.00 6.10 H new ATOM 519 N SER A 347 16.067 17.904 -5.428 1.00 5.76 N ATOM 520 CA SER A 347 17.326 18.626 -5.387 1.00 6.15 C ATOM 521 C SER A 347 18.445 17.689 -4.944 1.00 5.87 C ATOM 522 O SER A 347 18.225 16.795 -4.121 1.00 6.25 O ATOM 523 CB SER A 347 17.207 19.811 -4.427 1.00 6.93 C ATOM 524 OG SER A 347 16.114 20.645 -4.786 1.00 7.46 O ATOM 0 H SER A 347 15.575 17.871 -4.535 1.00 5.76 H new ATOM 0 HA SER A 347 17.562 19.003 -6.382 1.00 6.15 H new ATOM 0 HB2 SER A 347 17.073 19.447 -3.408 1.00 6.93 H new ATOM 0 HB3 SER A 347 18.131 20.389 -4.440 1.00 6.93 H new ATOM 0 HG SER A 347 16.055 21.395 -4.158 1.00 7.46 H new ATOM 530 N GLY A 348 19.638 17.886 -5.480 1.00 5.53 N ATOM 531 CA GLY A 348 20.733 16.992 -5.178 1.00 5.54 C ATOM 532 C GLY A 348 22.052 17.715 -5.017 1.00 5.59 C ATOM 533 O GLY A 348 22.608 18.218 -5.993 1.00 5.68 O ATOM 0 H GLY A 348 19.867 18.648 -6.118 1.00 5.53 H new ATOM 0 HA2 GLY A 348 20.509 16.446 -4.261 1.00 5.54 H new ATOM 0 HA3 GLY A 348 20.823 16.253 -5.975 1.00 5.54 H new ATOM 537 N PRO A 349 22.575 17.788 -3.783 1.00 5.91 N ATOM 538 CA PRO A 349 23.883 18.380 -3.504 1.00 6.29 C ATOM 539 C PRO A 349 25.008 17.365 -3.680 1.00 6.35 C ATOM 540 O PRO A 349 26.155 17.620 -3.314 1.00 6.32 O ATOM 541 CB PRO A 349 23.753 18.780 -2.041 1.00 6.89 C ATOM 542 CG PRO A 349 22.878 17.728 -1.453 1.00 6.91 C ATOM 543 CD PRO A 349 21.922 17.310 -2.544 1.00 6.34 C ATOM 0 HA PRO A 349 24.130 19.204 -4.173 1.00 6.29 H new ATOM 0 HB2 PRO A 349 24.725 18.811 -1.548 1.00 6.89 H new ATOM 0 HB3 PRO A 349 23.311 19.771 -1.936 1.00 6.89 H new ATOM 0 HG2 PRO A 349 23.469 16.879 -1.108 1.00 6.91 H new ATOM 0 HG3 PRO A 349 22.337 18.112 -0.588 1.00 6.91 H new ATOM 0 HD2 PRO A 349 21.778 16.230 -2.558 1.00 6.34 H new ATOM 0 HD3 PRO A 349 20.939 17.761 -2.410 1.00 6.34 H new ATOM 551 N SER A 350 24.652 16.213 -4.239 1.00 6.79 N ATOM 552 CA SER A 350 25.585 15.119 -4.447 1.00 7.31 C ATOM 553 C SER A 350 26.718 15.537 -5.378 1.00 7.44 C ATOM 554 O SER A 350 27.860 15.111 -5.210 1.00 7.86 O ATOM 555 CB SER A 350 24.835 13.919 -5.026 1.00 8.11 C ATOM 556 OG SER A 350 23.666 13.647 -4.269 1.00 8.24 O ATOM 0 H SER A 350 23.705 16.014 -4.560 1.00 6.79 H new ATOM 0 HA SER A 350 26.026 14.845 -3.489 1.00 7.31 H new ATOM 0 HB2 SER A 350 24.565 14.118 -6.063 1.00 8.11 H new ATOM 0 HB3 SER A 350 25.485 13.044 -5.028 1.00 8.11 H new ATOM 0 HG SER A 350 23.198 12.877 -4.655 1.00 8.24 H new ATOM 562 N GLY A 351 26.390 16.363 -6.366 1.00 7.35 N ATOM 563 CA GLY A 351 27.398 16.876 -7.271 1.00 7.72 C ATOM 564 C GLY A 351 28.397 17.764 -6.563 1.00 7.36 C ATOM 565 O GLY A 351 29.605 17.535 -6.647 1.00 7.91 O ATOM 0 H GLY A 351 25.441 16.686 -6.555 1.00 7.35 H new ATOM 0 HA2 GLY A 351 27.922 16.043 -7.740 1.00 7.72 H new ATOM 0 HA3 GLY A 351 26.915 17.439 -8.070 1.00 7.72 H new ATOM 569 N ASN A 352 27.882 18.767 -5.859 1.00 6.68 N ATOM 570 CA ASN A 352 28.708 19.709 -5.106 1.00 6.65 C ATOM 571 C ASN A 352 29.594 20.525 -6.046 1.00 6.74 C ATOM 572 O ASN A 352 30.728 20.145 -6.349 1.00 7.00 O ATOM 573 CB ASN A 352 29.560 18.971 -4.061 1.00 6.99 C ATOM 574 CG ASN A 352 30.389 19.911 -3.204 1.00 7.28 C ATOM 575 OD1 ASN A 352 31.531 20.229 -3.533 1.00 7.60 O ATOM 576 ND2 ASN A 352 29.824 20.364 -2.097 1.00 7.53 N ATOM 0 H ASN A 352 26.881 18.951 -5.793 1.00 6.68 H new ATOM 0 HA ASN A 352 28.045 20.397 -4.581 1.00 6.65 H new ATOM 0 HB2 ASN A 352 28.907 18.382 -3.418 1.00 6.99 H new ATOM 0 HB3 ASN A 352 30.223 18.271 -4.569 1.00 6.99 H new ATOM 0 HD21 ASN A 352 30.337 20.998 -1.485 1.00 7.53 H new ATOM 0 HD22 ASN A 352 28.875 20.079 -1.855 1.00 7.53 H new ATOM 583 N ASN A 353 29.068 21.649 -6.516 1.00 6.86 N ATOM 584 CA ASN A 353 29.812 22.525 -7.414 1.00 7.25 C ATOM 585 C ASN A 353 30.736 23.428 -6.607 1.00 7.06 C ATOM 586 O ASN A 353 30.509 24.636 -6.486 1.00 7.25 O ATOM 587 CB ASN A 353 28.863 23.375 -8.267 1.00 8.01 C ATOM 588 CG ASN A 353 29.574 24.104 -9.404 1.00 8.61 C ATOM 589 OD1 ASN A 353 30.771 24.391 -9.336 1.00 8.84 O ATOM 590 ND2 ASN A 353 28.831 24.432 -10.450 1.00 9.15 N ATOM 0 H ASN A 353 28.129 21.976 -6.290 1.00 6.86 H new ATOM 0 HA ASN A 353 30.406 21.903 -8.084 1.00 7.25 H new ATOM 0 HB2 ASN A 353 28.086 22.734 -8.684 1.00 8.01 H new ATOM 0 HB3 ASN A 353 28.366 24.106 -7.629 1.00 8.01 H new ATOM 0 HD21 ASN A 353 29.247 24.938 -11.232 1.00 9.15 H new ATOM 0 HD22 ASN A 353 27.843 24.179 -10.473 1.00 9.15 H new ATOM 597 N GLN A 354 31.760 22.830 -6.028 1.00 6.98 N ATOM 598 CA GLN A 354 32.745 23.578 -5.273 1.00 7.10 C ATOM 599 C GLN A 354 34.127 23.441 -5.894 1.00 7.21 C ATOM 600 O GLN A 354 35.078 23.025 -5.239 1.00 7.45 O ATOM 601 CB GLN A 354 32.764 23.138 -3.809 1.00 7.49 C ATOM 602 CG GLN A 354 31.587 23.672 -3.009 1.00 7.80 C ATOM 603 CD GLN A 354 31.578 23.178 -1.575 1.00 8.26 C ATOM 604 OE1 GLN A 354 30.396 23.104 -0.987 1.00 8.50 O flip ATOM 605 NE2 GLN A 354 32.625 22.881 -0.996 1.00 8.68 N flip ATOM 0 H GLN A 354 31.931 21.825 -6.067 1.00 6.98 H new ATOM 0 HA GLN A 354 32.461 24.630 -5.306 1.00 7.10 H new ATOM 0 HB2 GLN A 354 32.762 22.049 -3.763 1.00 7.49 H new ATOM 0 HB3 GLN A 354 33.692 23.475 -3.347 1.00 7.49 H new ATOM 0 HG2 GLN A 354 31.616 24.762 -3.013 1.00 7.80 H new ATOM 0 HG3 GLN A 354 30.658 23.376 -3.496 1.00 7.80 H new ATOM 0 HE21 GLN A 354 33.517 22.952 -1.486 1.00 8.68 H new ATOM 0 HE22 GLN A 354 32.600 22.564 -0.027 1.00 8.68 H new ATOM 614 N ASN A 355 34.224 23.796 -7.166 1.00 7.39 N ATOM 615 CA ASN A 355 35.516 23.877 -7.832 1.00 7.86 C ATOM 616 C ASN A 355 36.245 25.113 -7.320 1.00 7.88 C ATOM 617 O ASN A 355 37.454 25.104 -7.111 1.00 8.43 O ATOM 618 CB ASN A 355 35.332 23.943 -9.353 1.00 8.36 C ATOM 619 CG ASN A 355 36.649 23.940 -10.107 1.00 9.04 C ATOM 620 OD1 ASN A 355 37.194 22.881 -10.429 1.00 9.34 O ATOM 621 ND2 ASN A 355 37.155 25.123 -10.419 1.00 9.55 N ATOM 0 H ASN A 355 33.427 24.032 -7.757 1.00 7.39 H new ATOM 0 HA ASN A 355 36.105 22.987 -7.611 1.00 7.86 H new ATOM 0 HB2 ASN A 355 34.731 23.094 -9.678 1.00 8.36 H new ATOM 0 HB3 ASN A 355 34.775 24.845 -9.608 1.00 8.36 H new ATOM 0 HD21 ASN A 355 38.027 25.182 -10.945 1.00 9.55 H new ATOM 0 HD22 ASN A 355 36.673 25.975 -10.134 1.00 9.55 H new ATOM 628 N GLN A 356 35.475 26.175 -7.113 1.00 7.55 N ATOM 629 CA GLN A 356 35.966 27.379 -6.453 1.00 7.79 C ATOM 630 C GLN A 356 35.103 27.665 -5.223 1.00 7.86 C ATOM 631 O GLN A 356 35.437 28.499 -4.380 1.00 8.00 O ATOM 632 CB GLN A 356 35.927 28.571 -7.421 1.00 8.09 C ATOM 633 CG GLN A 356 36.432 29.877 -6.817 1.00 8.51 C ATOM 634 CD GLN A 356 36.287 31.062 -7.756 1.00 8.98 C ATOM 635 OE1 GLN A 356 35.288 31.016 -8.624 1.00 9.12 O flip ATOM 636 NE2 GLN A 356 37.065 32.014 -7.699 1.00 9.48 N flip ATOM 0 H GLN A 356 34.497 26.226 -7.397 1.00 7.55 H new ATOM 0 HA GLN A 356 36.999 27.226 -6.142 1.00 7.79 H new ATOM 0 HB2 GLN A 356 36.527 28.333 -8.299 1.00 8.09 H new ATOM 0 HB3 GLN A 356 34.902 28.714 -7.764 1.00 8.09 H new ATOM 0 HG2 GLN A 356 35.884 30.081 -5.897 1.00 8.51 H new ATOM 0 HG3 GLN A 356 37.481 29.763 -6.545 1.00 8.51 H new ATOM 0 HE21 GLN A 356 37.823 32.013 -7.016 1.00 9.48 H new ATOM 0 HE22 GLN A 356 36.952 32.804 -8.334 1.00 9.48 H new ATOM 645 N GLY A 357 33.988 26.948 -5.126 1.00 8.09 N ATOM 646 CA GLY A 357 33.038 27.187 -4.055 1.00 8.52 C ATOM 647 C GLY A 357 31.818 27.925 -4.559 1.00 8.74 C ATOM 648 O GLY A 357 31.004 28.406 -3.768 1.00 9.34 O ATOM 0 H GLY A 357 33.725 26.204 -5.772 1.00 8.09 H new ATOM 0 HA2 GLY A 357 32.735 26.237 -3.615 1.00 8.52 H new ATOM 0 HA3 GLY A 357 33.516 27.766 -3.265 1.00 8.52 H new ATOM 652 N ASN A 358 31.707 28.000 -5.889 1.00 8.53 N ATOM 653 CA ASN A 358 30.651 28.756 -6.575 1.00 9.03 C ATOM 654 C ASN A 358 30.887 30.262 -6.433 1.00 9.56 C ATOM 655 O ASN A 358 31.496 30.718 -5.464 1.00 9.97 O ATOM 656 CB ASN A 358 29.250 28.386 -6.060 1.00 8.90 C ATOM 657 CG ASN A 358 28.145 28.965 -6.928 1.00 9.11 C ATOM 658 OD1 ASN A 358 28.302 29.099 -8.144 1.00 9.38 O ATOM 659 ND2 ASN A 358 27.030 29.329 -6.314 1.00 9.24 N ATOM 0 H ASN A 358 32.353 27.534 -6.527 1.00 8.53 H new ATOM 0 HA ASN A 358 30.696 28.487 -7.630 1.00 9.03 H new ATOM 0 HB2 ASN A 358 29.152 27.301 -6.027 1.00 8.90 H new ATOM 0 HB3 ASN A 358 29.134 28.748 -5.038 1.00 8.90 H new ATOM 0 HD21 ASN A 358 26.263 29.736 -6.849 1.00 9.24 H new ATOM 0 HD22 ASN A 358 26.938 29.202 -5.306 1.00 9.24 H new ATOM 666 N MET A 359 30.422 31.027 -7.409 1.00 9.75 N ATOM 667 CA MET A 359 30.597 32.469 -7.388 1.00 10.44 C ATOM 668 C MET A 359 29.250 33.177 -7.456 1.00 10.94 C ATOM 669 O MET A 359 28.419 32.871 -8.312 1.00 10.94 O ATOM 670 CB MET A 359 31.502 32.925 -8.538 1.00 10.66 C ATOM 671 CG MET A 359 30.986 32.558 -9.924 1.00 10.96 C ATOM 672 SD MET A 359 32.092 33.092 -11.243 1.00 11.53 S ATOM 673 CE MET A 359 31.214 32.483 -12.681 1.00 12.03 C ATOM 0 H MET A 359 29.921 30.673 -8.224 1.00 9.75 H new ATOM 0 HA MET A 359 31.078 32.737 -6.447 1.00 10.44 H new ATOM 0 HB2 MET A 359 31.623 34.007 -8.483 1.00 10.66 H new ATOM 0 HB3 MET A 359 32.491 32.486 -8.403 1.00 10.66 H new ATOM 0 HG2 MET A 359 30.852 31.478 -9.983 1.00 10.96 H new ATOM 0 HG3 MET A 359 30.005 33.009 -10.073 1.00 10.96 H new ATOM 0 HE1 MET A 359 31.773 32.735 -13.582 1.00 12.03 H new ATOM 0 HE2 MET A 359 31.108 31.400 -12.611 1.00 12.03 H new ATOM 0 HE3 MET A 359 30.227 32.942 -12.726 1.00 12.03 H new ATOM 683 N GLN A 360 29.033 34.104 -6.536 1.00 11.57 N ATOM 684 CA GLN A 360 27.797 34.872 -6.482 1.00 12.30 C ATOM 685 C GLN A 360 28.092 36.306 -6.070 1.00 12.97 C ATOM 686 O GLN A 360 28.299 36.543 -4.863 1.00 13.47 O ATOM 687 CB GLN A 360 26.808 34.244 -5.496 1.00 12.66 C ATOM 688 CG GLN A 360 26.218 32.929 -5.975 1.00 12.82 C ATOM 689 CD GLN A 360 25.283 32.295 -4.962 1.00 13.18 C ATOM 690 OE1 GLN A 360 25.564 32.496 -3.684 1.00 13.44 O flip ATOM 691 NE2 GLN A 360 24.323 31.617 -5.327 1.00 13.37 N flip ATOM 692 OXT GLN A 360 28.143 37.185 -6.950 1.00 13.14 O ATOM 0 H GLN A 360 29.705 34.345 -5.808 1.00 11.57 H new ATOM 0 HA GLN A 360 27.348 34.866 -7.475 1.00 12.30 H new ATOM 0 HB2 GLN A 360 27.313 34.080 -4.544 1.00 12.66 H new ATOM 0 HB3 GLN A 360 25.998 34.949 -5.310 1.00 12.66 H new ATOM 0 HG2 GLN A 360 25.676 33.098 -6.906 1.00 12.82 H new ATOM 0 HG3 GLN A 360 27.027 32.234 -6.199 1.00 12.82 H new ATOM 0 HE21 GLN A 360 24.140 31.486 -6.322 1.00 13.37 H new ATOM 0 HE22 GLN A 360 23.710 31.186 -4.635 1.00 13.37 H new TER 701 GLN A 360