USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 368 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 58 THR OG1 : rot -70:sc= 0.278 USER MOD Set 1.2: A 61 SER OG : rot 180:sc= 0.259 USER MOD Set 2.1: A 26 GLN :FLIP amide:sc= 0.227 F(o=-0.0068,f=1.6) USER MOD Set 2.2: A 37 LYS NZ :NH3+ 173:sc= 1.4 (180deg=1.09) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -5.42! C(o=-5.4!,f=-19!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 155:sc= 1.2 (180deg=0.447) USER MOD Single : A 60 GLN : amide:sc= -0.0858 X(o=-0.086,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 32 N GLU A 3 -5.619 34.499 -8.535 1.00 0.00 N ATOM 33 CA GLU A 3 -4.744 35.328 -9.411 1.00 0.00 C ATOM 34 C GLU A 3 -3.412 34.610 -9.630 1.00 0.00 C ATOM 35 O GLU A 3 -2.685 34.901 -10.558 1.00 0.00 O ATOM 36 CB GLU A 3 -4.494 36.684 -8.746 1.00 0.00 C ATOM 37 CG GLU A 3 -3.404 37.436 -9.510 1.00 0.00 C ATOM 38 CD GLU A 3 -3.676 38.941 -9.441 1.00 0.00 C ATOM 39 OE1 GLU A 3 -3.870 39.438 -8.343 1.00 0.00 O ATOM 40 OE2 GLU A 3 -3.686 39.570 -10.485 1.00 0.00 O ATOM 0 HA GLU A 3 -5.233 35.481 -10.373 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.413 37.269 -8.733 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -4.193 36.542 -7.708 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -2.426 37.213 -9.083 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -3.381 37.107 -10.549 1.00 0.00 H new ATOM 47 N CYS A 4 -3.090 33.671 -8.786 1.00 0.00 N ATOM 48 CA CYS A 4 -1.806 32.933 -8.951 1.00 0.00 C ATOM 49 C CYS A 4 -2.093 31.534 -9.508 1.00 0.00 C ATOM 50 O CYS A 4 -2.578 30.665 -8.811 1.00 0.00 O ATOM 51 CB CYS A 4 -1.102 32.804 -7.594 1.00 0.00 C ATOM 52 SG CYS A 4 0.219 34.022 -7.420 1.00 0.00 S ATOM 0 H CYS A 4 -3.659 33.382 -7.990 1.00 0.00 H new ATOM 0 HA CYS A 4 -1.163 33.480 -9.640 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -1.828 32.935 -6.792 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -0.690 31.800 -7.490 1.00 0.00 H new ATOM 57 N ASP A 5 -1.795 31.311 -10.760 1.00 0.00 N ATOM 58 CA ASP A 5 -2.048 29.971 -11.362 1.00 0.00 C ATOM 59 C ASP A 5 -0.833 29.070 -11.127 1.00 0.00 C ATOM 60 O ASP A 5 -0.898 27.868 -11.294 1.00 0.00 O ATOM 61 CB ASP A 5 -2.285 30.125 -12.867 1.00 0.00 C ATOM 62 CG ASP A 5 -3.312 29.090 -13.330 1.00 0.00 C ATOM 63 OD1 ASP A 5 -2.944 27.934 -13.452 1.00 0.00 O ATOM 64 OD2 ASP A 5 -4.448 29.472 -13.556 1.00 0.00 O ATOM 0 H ASP A 5 -1.387 32.000 -11.392 1.00 0.00 H new ATOM 0 HA ASP A 5 -2.928 29.524 -10.899 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -2.641 31.131 -13.089 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -1.349 29.992 -13.409 1.00 0.00 H new ATOM 69 N CYS A 6 0.274 29.642 -10.741 1.00 0.00 N ATOM 70 CA CYS A 6 1.493 28.821 -10.494 1.00 0.00 C ATOM 71 C CYS A 6 1.997 29.074 -9.072 1.00 0.00 C ATOM 72 O CYS A 6 1.641 30.051 -8.443 1.00 0.00 O ATOM 73 CB CYS A 6 2.583 29.206 -11.497 1.00 0.00 C ATOM 74 SG CYS A 6 3.083 30.921 -11.215 1.00 0.00 S ATOM 0 H CYS A 6 0.387 30.644 -10.586 1.00 0.00 H new ATOM 0 HA CYS A 6 1.249 27.765 -10.612 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.442 28.543 -11.389 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.214 29.086 -12.516 1.00 0.00 H new ATOM 79 N SER A 7 2.821 28.202 -8.559 1.00 0.00 N ATOM 80 CA SER A 7 3.344 28.395 -7.178 1.00 0.00 C ATOM 81 C SER A 7 4.836 28.731 -7.239 1.00 0.00 C ATOM 82 O SER A 7 5.556 28.570 -6.273 1.00 0.00 O ATOM 83 CB SER A 7 3.145 27.110 -6.373 1.00 0.00 C ATOM 84 OG SER A 7 2.592 27.434 -5.104 1.00 0.00 O ATOM 0 H SER A 7 3.154 27.365 -9.037 1.00 0.00 H new ATOM 0 HA SER A 7 2.806 29.213 -6.698 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.483 26.430 -6.909 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.097 26.594 -6.247 1.00 0.00 H new ATOM 0 HG SER A 7 2.461 26.613 -4.585 1.00 0.00 H new ATOM 90 N SER A 8 5.308 29.199 -8.363 1.00 0.00 N ATOM 91 CA SER A 8 6.753 29.545 -8.477 1.00 0.00 C ATOM 92 C SER A 8 6.897 30.948 -9.084 1.00 0.00 C ATOM 93 O SER A 8 6.217 31.279 -10.034 1.00 0.00 O ATOM 94 CB SER A 8 7.451 28.528 -9.379 1.00 0.00 C ATOM 95 OG SER A 8 8.321 27.723 -8.595 1.00 0.00 O ATOM 0 H SER A 8 4.756 29.356 -9.206 1.00 0.00 H new ATOM 0 HA SER A 8 7.209 29.528 -7.487 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.712 27.903 -9.881 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.015 29.042 -10.157 1.00 0.00 H new ATOM 0 HG SER A 8 8.769 27.069 -9.171 1.00 0.00 H new ATOM 101 N PRO A 9 7.781 31.732 -8.515 1.00 0.00 N ATOM 102 CA PRO A 9 8.036 33.108 -8.979 1.00 0.00 C ATOM 103 C PRO A 9 8.933 33.097 -10.221 1.00 0.00 C ATOM 104 O PRO A 9 8.912 34.009 -11.023 1.00 0.00 O ATOM 105 CB PRO A 9 8.760 33.756 -7.796 1.00 0.00 C ATOM 106 CG PRO A 9 9.378 32.599 -6.975 1.00 0.00 C ATOM 107 CD PRO A 9 8.605 31.324 -7.359 1.00 0.00 C ATOM 0 HA PRO A 9 7.127 33.639 -9.263 1.00 0.00 H new ATOM 0 HB2 PRO A 9 9.533 34.442 -8.142 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.067 34.337 -7.188 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.439 32.490 -7.198 1.00 0.00 H new ATOM 0 HG3 PRO A 9 9.295 32.795 -5.906 1.00 0.00 H new ATOM 0 HD2 PRO A 9 9.283 30.511 -7.620 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.986 30.970 -6.534 1.00 0.00 H new ATOM 115 N GLU A 10 9.723 32.071 -10.384 1.00 0.00 N ATOM 116 CA GLU A 10 10.622 32.004 -11.570 1.00 0.00 C ATOM 117 C GLU A 10 9.990 31.114 -12.641 1.00 0.00 C ATOM 118 O GLU A 10 10.637 30.259 -13.212 1.00 0.00 O ATOM 119 CB GLU A 10 11.973 31.421 -11.151 1.00 0.00 C ATOM 120 CG GLU A 10 12.987 32.553 -10.979 1.00 0.00 C ATOM 121 CD GLU A 10 13.433 33.053 -12.354 1.00 0.00 C ATOM 122 OE1 GLU A 10 13.365 32.278 -13.294 1.00 0.00 O ATOM 123 OE2 GLU A 10 13.833 34.202 -12.445 1.00 0.00 O ATOM 0 H GLU A 10 9.784 31.277 -9.747 1.00 0.00 H new ATOM 0 HA GLU A 10 10.768 33.006 -11.973 1.00 0.00 H new ATOM 0 HB2 GLU A 10 11.868 30.868 -10.218 1.00 0.00 H new ATOM 0 HB3 GLU A 10 12.325 30.715 -11.903 1.00 0.00 H new ATOM 0 HG2 GLU A 10 12.543 33.370 -10.410 1.00 0.00 H new ATOM 0 HG3 GLU A 10 13.848 32.201 -10.412 1.00 0.00 H new ATOM 130 N ASN A 11 8.731 31.310 -12.919 1.00 0.00 N ATOM 131 CA ASN A 11 8.059 30.477 -13.955 1.00 0.00 C ATOM 132 C ASN A 11 7.698 31.360 -15.157 1.00 0.00 C ATOM 133 O ASN A 11 7.198 32.454 -14.986 1.00 0.00 O ATOM 134 CB ASN A 11 6.786 29.866 -13.366 1.00 0.00 C ATOM 135 CG ASN A 11 6.128 28.951 -14.399 1.00 0.00 C ATOM 136 OD1 ASN A 11 5.988 29.315 -15.550 1.00 0.00 O ATOM 137 ND2 ASN A 11 5.716 27.768 -14.035 1.00 0.00 N ATOM 0 H ASN A 11 8.139 32.011 -12.474 1.00 0.00 H new ATOM 0 HA ASN A 11 8.728 29.679 -14.278 1.00 0.00 H new ATOM 0 HB2 ASN A 11 7.025 29.301 -12.465 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.094 30.656 -13.072 1.00 0.00 H new ATOM 0 HD21 ASN A 11 5.277 27.149 -14.716 1.00 0.00 H new ATOM 0 HD22 ASN A 11 5.833 27.462 -13.069 1.00 0.00 H new ATOM 144 N PRO A 12 7.966 30.863 -16.339 1.00 0.00 N ATOM 145 CA PRO A 12 7.682 31.593 -17.587 1.00 0.00 C ATOM 146 C PRO A 12 6.193 31.502 -17.938 1.00 0.00 C ATOM 147 O PRO A 12 5.582 32.469 -18.345 1.00 0.00 O ATOM 148 CB PRO A 12 8.533 30.864 -18.630 1.00 0.00 C ATOM 149 CG PRO A 12 8.800 29.449 -18.064 1.00 0.00 C ATOM 150 CD PRO A 12 8.576 29.533 -16.543 1.00 0.00 C ATOM 0 HA PRO A 12 7.912 32.656 -17.522 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.012 30.808 -19.586 1.00 0.00 H new ATOM 0 HB3 PRO A 12 9.469 31.394 -18.807 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.128 28.719 -18.515 1.00 0.00 H new ATOM 0 HG3 PRO A 12 9.817 29.128 -18.289 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.920 28.736 -16.193 1.00 0.00 H new ATOM 0 HD3 PRO A 12 9.514 29.437 -15.996 1.00 0.00 H new ATOM 158 N CYS A 13 5.607 30.346 -17.786 1.00 0.00 N ATOM 159 CA CYS A 13 4.163 30.195 -18.113 1.00 0.00 C ATOM 160 C CYS A 13 3.361 31.291 -17.410 1.00 0.00 C ATOM 161 O CYS A 13 2.770 32.143 -18.043 1.00 0.00 O ATOM 162 CB CYS A 13 3.677 28.824 -17.640 1.00 0.00 C ATOM 163 SG CYS A 13 2.495 28.156 -18.837 1.00 0.00 S ATOM 0 H CYS A 13 6.067 29.500 -17.449 1.00 0.00 H new ATOM 0 HA CYS A 13 4.023 30.280 -19.191 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.522 28.145 -17.530 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.208 28.911 -16.660 1.00 0.00 H new ATOM 168 N CYS A 14 3.336 31.278 -16.105 1.00 0.00 N ATOM 169 CA CYS A 14 2.571 32.321 -15.369 1.00 0.00 C ATOM 170 C CYS A 14 3.419 33.588 -15.250 1.00 0.00 C ATOM 171 O CYS A 14 4.555 33.548 -14.821 1.00 0.00 O ATOM 172 CB CYS A 14 2.217 31.809 -13.972 1.00 0.00 C ATOM 173 SG CYS A 14 3.734 31.550 -13.021 1.00 0.00 S ATOM 0 H CYS A 14 3.811 30.592 -15.519 1.00 0.00 H new ATOM 0 HA CYS A 14 1.654 32.548 -15.913 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.574 32.527 -13.462 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.658 30.876 -14.046 1.00 0.00 H new ATOM 178 N ASP A 15 2.877 34.712 -15.626 1.00 0.00 N ATOM 179 CA ASP A 15 3.653 35.981 -15.535 1.00 0.00 C ATOM 180 C ASP A 15 3.783 36.394 -14.067 1.00 0.00 C ATOM 181 O ASP A 15 2.865 36.239 -13.285 1.00 0.00 O ATOM 182 CB ASP A 15 2.926 37.079 -16.313 1.00 0.00 C ATOM 183 CG ASP A 15 3.505 37.170 -17.726 1.00 0.00 C ATOM 184 OD1 ASP A 15 4.593 36.659 -17.934 1.00 0.00 O ATOM 185 OD2 ASP A 15 2.849 37.749 -18.578 1.00 0.00 O ATOM 0 H ASP A 15 1.930 34.808 -15.993 1.00 0.00 H new ATOM 0 HA ASP A 15 4.646 35.833 -15.959 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.859 36.862 -16.359 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.035 38.035 -15.801 1.00 0.00 H new ATOM 190 N ALA A 16 4.917 36.918 -13.688 1.00 0.00 N ATOM 191 CA ALA A 16 5.109 37.340 -12.272 1.00 0.00 C ATOM 192 C ALA A 16 4.305 38.612 -12.000 1.00 0.00 C ATOM 193 O ALA A 16 3.971 38.918 -10.873 1.00 0.00 O ATOM 194 CB ALA A 16 6.594 37.616 -12.019 1.00 0.00 C ATOM 0 H ALA A 16 5.719 37.072 -14.299 1.00 0.00 H new ATOM 0 HA ALA A 16 4.765 36.545 -11.610 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.735 37.925 -10.983 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.170 36.710 -12.210 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.935 38.409 -12.684 1.00 0.00 H new ATOM 200 N ALA A 17 3.990 39.358 -13.023 1.00 0.00 N ATOM 201 CA ALA A 17 3.208 40.610 -12.820 1.00 0.00 C ATOM 202 C ALA A 17 1.838 40.267 -12.234 1.00 0.00 C ATOM 203 O ALA A 17 1.453 40.768 -11.196 1.00 0.00 O ATOM 204 CB ALA A 17 3.021 41.319 -14.162 1.00 0.00 C ATOM 0 H ALA A 17 4.240 39.155 -13.991 1.00 0.00 H new ATOM 0 HA ALA A 17 3.745 41.264 -12.133 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.449 42.235 -14.013 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.996 41.565 -14.583 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.485 40.664 -14.848 1.00 0.00 H new ATOM 210 N THR A 18 1.098 39.419 -12.893 1.00 0.00 N ATOM 211 CA THR A 18 -0.248 39.048 -12.375 1.00 0.00 C ATOM 212 C THR A 18 -0.219 37.612 -11.846 1.00 0.00 C ATOM 213 O THR A 18 -1.212 37.096 -11.376 1.00 0.00 O ATOM 214 CB THR A 18 -1.276 39.155 -13.504 1.00 0.00 C ATOM 215 OG1 THR A 18 -0.954 38.219 -14.524 1.00 0.00 O ATOM 216 CG2 THR A 18 -1.255 40.571 -14.083 1.00 0.00 C ATOM 0 H THR A 18 1.367 38.967 -13.767 1.00 0.00 H new ATOM 0 HA THR A 18 -0.523 39.725 -11.566 1.00 0.00 H new ATOM 0 HB THR A 18 -2.271 38.940 -13.113 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.612 38.284 -15.247 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.987 40.646 -14.887 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.501 41.288 -13.300 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.262 40.789 -14.475 1.00 0.00 H new ATOM 224 N CYS A 19 0.911 36.961 -11.917 1.00 0.00 N ATOM 225 CA CYS A 19 0.990 35.562 -11.412 1.00 0.00 C ATOM 226 C CYS A 19 -0.010 34.686 -12.170 1.00 0.00 C ATOM 227 O CYS A 19 -0.798 33.983 -11.577 1.00 0.00 O ATOM 228 CB CYS A 19 0.628 35.534 -9.928 1.00 0.00 C ATOM 229 SG CYS A 19 1.167 33.984 -9.192 1.00 0.00 S ATOM 0 H CYS A 19 1.778 37.336 -12.301 1.00 0.00 H new ATOM 0 HA CYS A 19 2.003 35.188 -11.559 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.098 36.373 -9.415 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.449 35.649 -9.806 1.00 0.00 H new ATOM 234 N LYS A 20 0.001 34.718 -13.469 1.00 0.00 N ATOM 235 CA LYS A 20 -0.972 33.880 -14.223 1.00 0.00 C ATOM 236 C LYS A 20 -0.410 33.556 -15.608 1.00 0.00 C ATOM 237 O LYS A 20 0.429 34.265 -16.128 1.00 0.00 O ATOM 238 CB LYS A 20 -2.291 34.643 -14.355 1.00 0.00 C ATOM 239 CG LYS A 20 -3.337 34.037 -13.416 1.00 0.00 C ATOM 240 CD LYS A 20 -4.516 33.512 -14.236 1.00 0.00 C ATOM 241 CE LYS A 20 -5.740 34.399 -14.001 1.00 0.00 C ATOM 242 NZ LYS A 20 -6.896 33.872 -14.781 1.00 0.00 N ATOM 0 H LYS A 20 0.633 35.281 -14.039 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.146 32.946 -13.689 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.139 35.695 -14.114 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.645 34.600 -15.385 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.895 33.227 -12.836 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.681 34.788 -12.705 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.259 33.502 -15.295 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.740 32.484 -13.953 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.986 34.424 -12.939 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.522 35.424 -14.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.727 34.476 -14.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.660 33.871 -15.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.109 32.901 -14.474 1.00 0.00 H new ATOM 256 N LEU A 21 -0.858 32.485 -16.208 1.00 0.00 N ATOM 257 CA LEU A 21 -0.340 32.116 -17.556 1.00 0.00 C ATOM 258 C LEU A 21 -0.754 33.194 -18.566 1.00 0.00 C ATOM 259 O LEU A 21 -1.915 33.342 -18.892 1.00 0.00 O ATOM 260 CB LEU A 21 -0.904 30.749 -17.975 1.00 0.00 C ATOM 261 CG LEU A 21 -0.899 29.792 -16.775 1.00 0.00 C ATOM 262 CD1 LEU A 21 -2.292 29.185 -16.594 1.00 0.00 C ATOM 263 CD2 LEU A 21 0.108 28.667 -17.014 1.00 0.00 C ATOM 0 H LEU A 21 -1.559 31.852 -15.823 1.00 0.00 H new ATOM 0 HA LEU A 21 0.748 32.049 -17.527 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.919 30.865 -18.354 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.307 30.332 -18.786 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.621 30.348 -15.880 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.285 28.506 -15.741 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.016 29.981 -16.418 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.569 28.635 -17.493 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.108 27.991 -16.159 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.169 28.116 -17.913 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.104 29.091 -17.141 1.00 0.00 H new ATOM 275 N ARG A 22 0.192 33.956 -19.049 1.00 0.00 N ATOM 276 CA ARG A 22 -0.128 35.044 -20.022 1.00 0.00 C ATOM 277 C ARG A 22 -0.568 34.466 -21.375 1.00 0.00 C ATOM 278 O ARG A 22 -1.556 34.902 -21.930 1.00 0.00 O ATOM 279 CB ARG A 22 1.109 35.922 -20.231 1.00 0.00 C ATOM 280 CG ARG A 22 0.674 37.368 -20.476 1.00 0.00 C ATOM 281 CD ARG A 22 1.180 37.833 -21.844 1.00 0.00 C ATOM 282 NE ARG A 22 0.599 39.168 -22.163 1.00 0.00 N ATOM 283 CZ ARG A 22 1.379 40.206 -22.292 1.00 0.00 C ATOM 284 NH1 ARG A 22 2.376 40.378 -21.469 1.00 0.00 N ATOM 285 NH2 ARG A 22 1.162 41.072 -23.245 1.00 0.00 N ATOM 0 H ARG A 22 1.180 33.871 -18.810 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.947 35.636 -19.614 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.757 35.869 -19.356 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.688 35.557 -21.079 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.413 37.443 -20.434 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.069 38.015 -19.692 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.269 37.890 -21.841 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.901 37.111 -22.611 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.409 39.270 -22.281 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.546 39.701 -20.725 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.986 41.189 -21.569 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.382 40.937 -23.889 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.772 41.883 -23.345 1.00 0.00 H new ATOM 299 N PRO A 23 0.182 33.519 -21.881 1.00 0.00 N ATOM 300 CA PRO A 23 -0.116 32.897 -23.183 1.00 0.00 C ATOM 301 C PRO A 23 -1.273 31.904 -23.057 1.00 0.00 C ATOM 302 O PRO A 23 -1.912 31.807 -22.028 1.00 0.00 O ATOM 303 CB PRO A 23 1.190 32.187 -23.551 1.00 0.00 C ATOM 304 CG PRO A 23 1.957 31.966 -22.225 1.00 0.00 C ATOM 305 CD PRO A 23 1.381 32.974 -21.210 1.00 0.00 C ATOM 0 HA PRO A 23 -0.428 33.617 -23.940 1.00 0.00 H new ATOM 0 HB2 PRO A 23 0.989 31.237 -24.046 1.00 0.00 H new ATOM 0 HB3 PRO A 23 1.778 32.790 -24.244 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.830 30.943 -21.870 1.00 0.00 H new ATOM 0 HG3 PRO A 23 3.026 32.125 -22.365 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.124 32.489 -20.268 1.00 0.00 H new ATOM 0 HD3 PRO A 23 2.099 33.760 -20.978 1.00 0.00 H new ATOM 313 N GLY A 24 -1.552 31.172 -24.100 1.00 0.00 N ATOM 314 CA GLY A 24 -2.674 30.192 -24.046 1.00 0.00 C ATOM 315 C GLY A 24 -2.217 28.918 -23.334 1.00 0.00 C ATOM 316 O GLY A 24 -2.454 27.820 -23.799 1.00 0.00 O ATOM 0 H GLY A 24 -1.051 31.210 -24.988 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.524 30.628 -23.521 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.010 29.955 -25.055 1.00 0.00 H new ATOM 320 N ALA A 25 -1.574 29.047 -22.206 1.00 0.00 N ATOM 321 CA ALA A 25 -1.117 27.839 -21.470 1.00 0.00 C ATOM 322 C ALA A 25 -2.258 27.333 -20.589 1.00 0.00 C ATOM 323 O ALA A 25 -3.297 27.952 -20.485 1.00 0.00 O ATOM 324 CB ALA A 25 0.087 28.197 -20.597 1.00 0.00 C ATOM 0 H ALA A 25 -1.346 29.937 -21.764 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.827 27.063 -22.178 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.422 27.311 -20.058 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.897 28.566 -21.227 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.198 28.970 -19.883 1.00 0.00 H new ATOM 330 N GLN A 26 -2.075 26.211 -19.954 1.00 0.00 N ATOM 331 CA GLN A 26 -3.150 25.668 -19.082 1.00 0.00 C ATOM 332 C GLN A 26 -2.675 25.670 -17.628 1.00 0.00 C ATOM 333 O GLN A 26 -3.395 26.059 -16.731 1.00 0.00 O ATOM 334 CB GLN A 26 -3.477 24.235 -19.511 1.00 0.00 C ATOM 335 CG GLN A 26 -4.991 24.021 -19.467 1.00 0.00 C ATOM 336 CD GLN A 26 -5.570 24.185 -20.874 1.00 0.00 C ATOM 337 OE1 GLN A 26 -5.260 25.241 -21.574 1.00 0.00 O flip ATOM 338 NE2 GLN A 26 -6.312 23.343 -21.340 1.00 0.00 N flip ATOM 0 H GLN A 26 -1.227 25.646 -20.001 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.042 26.288 -19.173 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.102 24.051 -20.518 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.979 23.524 -18.851 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.218 23.027 -19.083 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -5.451 24.738 -18.787 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.554 22.517 -20.792 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -6.693 23.462 -22.279 1.00 0.00 H new ATOM 347 N CYS A 27 -1.470 25.234 -17.389 1.00 0.00 N ATOM 348 CA CYS A 27 -0.953 25.209 -15.992 1.00 0.00 C ATOM 349 C CYS A 27 0.555 25.476 -15.997 1.00 0.00 C ATOM 350 O CYS A 27 1.299 24.878 -16.747 1.00 0.00 O ATOM 351 CB CYS A 27 -1.249 23.827 -15.381 1.00 0.00 C ATOM 352 SG CYS A 27 -0.150 23.491 -13.975 1.00 0.00 S ATOM 0 H CYS A 27 -0.821 24.894 -18.099 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.440 25.981 -15.397 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.288 23.785 -15.054 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.122 23.055 -16.140 1.00 0.00 H new ATOM 357 N GLY A 28 1.012 26.360 -15.153 1.00 0.00 N ATOM 358 CA GLY A 28 2.470 26.652 -15.098 1.00 0.00 C ATOM 359 C GLY A 28 3.156 25.595 -14.233 1.00 0.00 C ATOM 360 O GLY A 28 4.221 25.108 -14.554 1.00 0.00 O ATOM 0 H GLY A 28 0.438 26.892 -14.499 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.893 26.649 -16.103 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.640 27.646 -14.684 1.00 0.00 H new ATOM 364 N GLU A 29 2.548 25.235 -13.136 1.00 0.00 N ATOM 365 CA GLU A 29 3.157 24.210 -12.246 1.00 0.00 C ATOM 366 C GLU A 29 2.055 23.309 -11.682 1.00 0.00 C ATOM 367 O GLU A 29 0.941 23.740 -11.461 1.00 0.00 O ATOM 368 CB GLU A 29 3.887 24.907 -11.099 1.00 0.00 C ATOM 369 CG GLU A 29 5.046 24.032 -10.623 1.00 0.00 C ATOM 370 CD GLU A 29 6.183 24.087 -11.645 1.00 0.00 C ATOM 371 OE1 GLU A 29 6.692 25.171 -11.878 1.00 0.00 O ATOM 372 OE2 GLU A 29 6.527 23.044 -12.176 1.00 0.00 O ATOM 0 H GLU A 29 1.654 25.608 -12.818 1.00 0.00 H new ATOM 0 HA GLU A 29 3.865 23.605 -12.812 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.261 25.876 -11.428 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.197 25.094 -10.276 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.400 24.376 -9.651 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.709 23.003 -10.493 1.00 0.00 H new ATOM 379 N GLY A 30 2.356 22.060 -11.444 1.00 0.00 N ATOM 380 CA GLY A 30 1.323 21.135 -10.894 1.00 0.00 C ATOM 381 C GLY A 30 1.746 19.686 -11.144 1.00 0.00 C ATOM 382 O GLY A 30 2.566 19.408 -11.996 1.00 0.00 O ATOM 0 H GLY A 30 3.272 21.641 -11.607 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.197 21.308 -9.825 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.359 21.329 -11.364 1.00 0.00 H new ATOM 386 N LEU A 31 1.195 18.760 -10.407 1.00 0.00 N ATOM 387 CA LEU A 31 1.568 17.330 -10.602 1.00 0.00 C ATOM 388 C LEU A 31 1.269 16.914 -12.043 1.00 0.00 C ATOM 389 O LEU A 31 1.998 16.145 -12.639 1.00 0.00 O ATOM 390 CB LEU A 31 0.756 16.454 -9.644 1.00 0.00 C ATOM 391 CG LEU A 31 1.422 16.444 -8.268 1.00 0.00 C ATOM 392 CD1 LEU A 31 0.545 17.198 -7.268 1.00 0.00 C ATOM 393 CD2 LEU A 31 1.602 14.999 -7.800 1.00 0.00 C ATOM 0 H LEU A 31 0.503 18.932 -9.678 1.00 0.00 H new ATOM 0 HA LEU A 31 2.632 17.204 -10.400 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.263 16.833 -9.563 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.688 15.438 -10.033 1.00 0.00 H new ATOM 0 HG LEU A 31 2.395 16.930 -8.333 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.021 17.190 -6.288 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.417 18.228 -7.601 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.430 16.714 -7.202 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.077 14.991 -6.819 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.628 14.513 -7.736 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.229 14.462 -8.511 1.00 0.00 H new ATOM 405 N CYS A 32 0.202 17.407 -12.606 1.00 0.00 N ATOM 406 CA CYS A 32 -0.140 17.029 -14.005 1.00 0.00 C ATOM 407 C CYS A 32 -0.093 18.264 -14.909 1.00 0.00 C ATOM 408 O CYS A 32 -1.104 18.730 -15.395 1.00 0.00 O ATOM 409 CB CYS A 32 -1.544 16.421 -14.036 1.00 0.00 C ATOM 410 SG CYS A 32 -1.425 14.623 -13.853 1.00 0.00 S ATOM 0 H CYS A 32 -0.447 18.054 -12.159 1.00 0.00 H new ATOM 0 HA CYS A 32 0.584 16.299 -14.367 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -2.151 16.840 -13.234 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -2.040 16.670 -14.974 1.00 0.00 H new ATOM 415 N CYS A 33 1.079 18.789 -15.148 1.00 0.00 N ATOM 416 CA CYS A 33 1.201 19.985 -16.031 1.00 0.00 C ATOM 417 C CYS A 33 2.360 19.761 -17.006 1.00 0.00 C ATOM 418 O CYS A 33 3.510 19.974 -16.675 1.00 0.00 O ATOM 419 CB CYS A 33 1.475 21.231 -15.182 1.00 0.00 C ATOM 420 SG CYS A 33 0.109 21.486 -14.019 1.00 0.00 S ATOM 0 H CYS A 33 1.959 18.440 -14.769 1.00 0.00 H new ATOM 0 HA CYS A 33 0.273 20.132 -16.584 1.00 0.00 H new ATOM 0 HB2 CYS A 33 2.412 21.114 -14.638 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.587 22.104 -15.825 1.00 0.00 H new ATOM 425 N GLU A 34 2.070 19.322 -18.202 1.00 0.00 N ATOM 426 CA GLU A 34 3.159 19.073 -19.189 1.00 0.00 C ATOM 427 C GLU A 34 3.111 20.133 -20.290 1.00 0.00 C ATOM 428 O GLU A 34 2.108 20.308 -20.954 1.00 0.00 O ATOM 429 CB GLU A 34 2.973 17.686 -19.811 1.00 0.00 C ATOM 430 CG GLU A 34 3.082 16.617 -18.721 1.00 0.00 C ATOM 431 CD GLU A 34 4.479 15.996 -18.754 1.00 0.00 C ATOM 432 OE1 GLU A 34 5.380 16.638 -19.267 1.00 0.00 O ATOM 433 OE2 GLU A 34 4.624 14.887 -18.265 1.00 0.00 O ATOM 0 H GLU A 34 1.127 19.125 -18.537 1.00 0.00 H new ATOM 0 HA GLU A 34 4.123 19.123 -18.683 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.001 17.623 -20.301 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.728 17.516 -20.578 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.892 17.059 -17.743 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.326 15.847 -18.875 1.00 0.00 H new ATOM 440 N GLN A 35 4.190 20.839 -20.491 1.00 0.00 N ATOM 441 CA GLN A 35 4.207 21.885 -21.552 1.00 0.00 C ATOM 442 C GLN A 35 3.142 22.939 -21.250 1.00 0.00 C ATOM 443 O GLN A 35 2.381 23.329 -22.112 1.00 0.00 O ATOM 444 CB GLN A 35 3.916 21.240 -22.908 1.00 0.00 C ATOM 445 CG GLN A 35 5.221 21.085 -23.689 1.00 0.00 C ATOM 446 CD GLN A 35 5.163 19.810 -24.532 1.00 0.00 C ATOM 447 OE1 GLN A 35 5.187 18.717 -24.003 1.00 0.00 O ATOM 448 NE2 GLN A 35 5.089 19.905 -25.830 1.00 0.00 N ATOM 0 H GLN A 35 5.059 20.737 -19.967 1.00 0.00 H new ATOM 0 HA GLN A 35 5.188 22.359 -21.577 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.447 20.266 -22.766 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.213 21.854 -23.471 1.00 0.00 H new ATOM 0 HG2 GLN A 35 5.378 21.952 -24.331 1.00 0.00 H new ATOM 0 HG3 GLN A 35 6.066 21.041 -23.001 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.069 20.823 -26.274 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.051 19.061 -26.402 1.00 0.00 H new ATOM 457 N CYS A 36 3.079 23.399 -20.032 1.00 0.00 N ATOM 458 CA CYS A 36 2.058 24.423 -19.678 1.00 0.00 C ATOM 459 C CYS A 36 0.662 23.851 -19.928 1.00 0.00 C ATOM 460 O CYS A 36 -0.312 24.572 -19.983 1.00 0.00 O ATOM 461 CB CYS A 36 2.256 25.671 -20.542 1.00 0.00 C ATOM 462 SG CYS A 36 3.533 26.718 -19.803 1.00 0.00 S ATOM 0 H CYS A 36 3.689 23.111 -19.267 1.00 0.00 H new ATOM 0 HA CYS A 36 2.164 24.691 -18.627 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.545 25.384 -21.553 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.320 26.223 -20.623 1.00 0.00 H new ATOM 467 N LYS A 37 0.556 22.560 -20.083 1.00 0.00 N ATOM 468 CA LYS A 37 -0.780 21.948 -20.334 1.00 0.00 C ATOM 469 C LYS A 37 -1.026 20.820 -19.331 1.00 0.00 C ATOM 470 O LYS A 37 -0.111 20.328 -18.697 1.00 0.00 O ATOM 471 CB LYS A 37 -0.826 21.385 -21.756 1.00 0.00 C ATOM 472 CG LYS A 37 -0.627 22.520 -22.761 1.00 0.00 C ATOM 473 CD LYS A 37 -1.974 23.186 -23.051 1.00 0.00 C ATOM 474 CE LYS A 37 -1.741 24.609 -23.564 1.00 0.00 C ATOM 475 NZ LYS A 37 -3.054 25.262 -23.825 1.00 0.00 N ATOM 0 H LYS A 37 1.335 21.903 -20.047 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.552 22.709 -20.219 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.050 20.631 -21.885 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.782 20.892 -21.933 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.075 23.253 -22.364 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.195 22.132 -23.683 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.526 22.607 -23.792 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.582 23.209 -22.147 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.176 25.184 -22.830 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.146 24.585 -24.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.903 26.264 -24.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.526 24.787 -24.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.652 25.191 -22.977 1.00 0.00 H new ATOM 489 N PHE A 38 -2.253 20.403 -19.181 1.00 0.00 N ATOM 490 CA PHE A 38 -2.556 19.305 -18.220 1.00 0.00 C ATOM 491 C PHE A 38 -2.069 17.975 -18.797 1.00 0.00 C ATOM 492 O PHE A 38 -2.121 17.749 -19.989 1.00 0.00 O ATOM 493 CB PHE A 38 -4.068 19.231 -17.986 1.00 0.00 C ATOM 494 CG PHE A 38 -4.586 20.568 -17.497 1.00 0.00 C ATOM 495 CD1 PHE A 38 -3.694 21.595 -17.154 1.00 0.00 C ATOM 496 CD2 PHE A 38 -5.965 20.778 -17.388 1.00 0.00 C ATOM 497 CE1 PHE A 38 -4.182 22.826 -16.704 1.00 0.00 C ATOM 498 CE2 PHE A 38 -6.453 22.010 -16.937 1.00 0.00 C ATOM 499 CZ PHE A 38 -5.562 23.034 -16.596 1.00 0.00 C ATOM 0 H PHE A 38 -3.059 20.775 -19.683 1.00 0.00 H new ATOM 0 HA PHE A 38 -2.050 19.502 -17.275 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.574 18.953 -18.911 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -4.293 18.455 -17.254 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.629 21.435 -17.238 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -6.653 19.989 -17.652 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.494 23.616 -16.440 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -7.518 22.170 -16.852 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.939 23.985 -16.249 1.00 0.00 H new ATOM 509 N SER A 39 -1.597 17.091 -17.960 1.00 0.00 N ATOM 510 CA SER A 39 -1.111 15.778 -18.466 1.00 0.00 C ATOM 511 C SER A 39 -2.256 15.060 -19.190 1.00 0.00 C ATOM 512 O SER A 39 -2.644 15.442 -20.276 1.00 0.00 O ATOM 513 CB SER A 39 -0.612 14.933 -17.293 1.00 0.00 C ATOM 514 OG SER A 39 0.639 15.441 -16.845 1.00 0.00 O ATOM 0 H SER A 39 -1.528 17.222 -16.951 1.00 0.00 H new ATOM 0 HA SER A 39 -0.289 15.931 -19.165 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.338 14.954 -16.480 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.506 13.892 -17.599 1.00 0.00 H new ATOM 0 HG SER A 39 0.960 14.902 -16.092 1.00 0.00 H new ATOM 520 N ARG A 40 -2.806 14.027 -18.608 1.00 0.00 N ATOM 521 CA ARG A 40 -3.924 13.304 -19.280 1.00 0.00 C ATOM 522 C ARG A 40 -4.966 12.894 -18.239 1.00 0.00 C ATOM 523 O ARG A 40 -4.777 13.071 -17.052 1.00 0.00 O ATOM 524 CB ARG A 40 -3.381 12.053 -19.974 1.00 0.00 C ATOM 525 CG ARG A 40 -2.563 12.462 -21.200 1.00 0.00 C ATOM 526 CD ARG A 40 -1.542 11.370 -21.519 1.00 0.00 C ATOM 527 NE ARG A 40 -1.978 10.624 -22.733 1.00 0.00 N ATOM 528 CZ ARG A 40 -1.352 10.796 -23.864 1.00 0.00 C ATOM 529 NH1 ARG A 40 -1.429 11.942 -24.484 1.00 0.00 N ATOM 530 NH2 ARG A 40 -0.650 9.823 -24.377 1.00 0.00 N ATOM 0 H ARG A 40 -2.530 13.654 -17.700 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.385 13.959 -20.019 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.760 11.482 -19.284 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.204 11.404 -20.273 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.222 12.619 -22.054 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.054 13.407 -21.012 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.560 11.812 -21.684 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.447 10.688 -20.674 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.766 9.979 -22.679 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.979 12.702 -24.084 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.940 12.077 -25.369 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.591 8.927 -23.893 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.161 9.958 -25.262 1.00 0.00 H new ATOM 544 N ALA A 41 -6.065 12.339 -18.673 1.00 0.00 N ATOM 545 CA ALA A 41 -7.113 11.910 -17.705 1.00 0.00 C ATOM 546 C ALA A 41 -6.695 10.582 -17.074 1.00 0.00 C ATOM 547 O ALA A 41 -6.160 9.712 -17.733 1.00 0.00 O ATOM 548 CB ALA A 41 -8.445 11.732 -18.436 1.00 0.00 C ATOM 0 H ALA A 41 -6.282 12.165 -19.654 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.228 12.667 -16.929 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.210 11.418 -17.726 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.739 12.677 -18.892 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.336 10.973 -19.211 1.00 0.00 H new ATOM 554 N GLY A 42 -6.926 10.419 -15.802 1.00 0.00 N ATOM 555 CA GLY A 42 -6.531 9.148 -15.134 1.00 0.00 C ATOM 556 C GLY A 42 -5.006 9.087 -15.038 1.00 0.00 C ATOM 557 O GLY A 42 -4.425 8.039 -14.840 1.00 0.00 O ATOM 0 H GLY A 42 -7.370 11.109 -15.197 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.973 9.093 -14.139 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.907 8.294 -15.698 1.00 0.00 H new ATOM 561 N LYS A 43 -4.355 10.209 -15.176 1.00 0.00 N ATOM 562 CA LYS A 43 -2.867 10.228 -15.093 1.00 0.00 C ATOM 563 C LYS A 43 -2.444 9.999 -13.641 1.00 0.00 C ATOM 564 O LYS A 43 -2.821 10.737 -12.756 1.00 0.00 O ATOM 565 CB LYS A 43 -2.353 11.588 -15.579 1.00 0.00 C ATOM 566 CG LYS A 43 -0.925 11.820 -15.075 1.00 0.00 C ATOM 567 CD LYS A 43 -0.002 10.736 -15.633 1.00 0.00 C ATOM 568 CE LYS A 43 1.450 11.204 -15.538 1.00 0.00 C ATOM 569 NZ LYS A 43 1.743 11.637 -14.142 1.00 0.00 N ATOM 0 H LYS A 43 -4.791 11.116 -15.343 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.447 9.441 -15.719 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.373 11.625 -16.668 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.007 12.382 -15.220 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.575 12.805 -15.384 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.906 11.803 -13.985 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.134 9.809 -15.075 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.259 10.523 -16.671 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.123 10.397 -15.829 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.623 12.028 -16.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.763 11.549 -13.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.453 12.628 -14.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.218 11.036 -13.475 1.00 0.00 H new ATOM 583 N ILE A 44 -1.667 8.983 -13.388 1.00 0.00 N ATOM 584 CA ILE A 44 -1.233 8.714 -11.989 1.00 0.00 C ATOM 585 C ILE A 44 -0.461 9.917 -11.447 1.00 0.00 C ATOM 586 O ILE A 44 0.540 10.330 -11.998 1.00 0.00 O ATOM 587 CB ILE A 44 -0.336 7.475 -11.963 1.00 0.00 C ATOM 588 CG1 ILE A 44 -1.186 6.226 -12.215 1.00 0.00 C ATOM 589 CG2 ILE A 44 0.343 7.363 -10.596 1.00 0.00 C ATOM 590 CD1 ILE A 44 -2.077 5.956 -11.001 1.00 0.00 C ATOM 0 H ILE A 44 -1.315 8.329 -14.087 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.111 8.541 -11.366 1.00 0.00 H new ATOM 0 HB ILE A 44 0.425 7.561 -12.739 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.800 6.365 -13.105 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.541 5.367 -12.403 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.982 6.480 -10.578 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.948 8.252 -10.416 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.416 7.277 -9.819 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.681 5.067 -11.183 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.454 5.798 -10.121 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.732 6.811 -10.833 1.00 0.00 H new ATOM 602 N CYS A 45 -0.923 10.480 -10.364 1.00 0.00 N ATOM 603 CA CYS A 45 -0.225 11.657 -9.767 1.00 0.00 C ATOM 604 C CYS A 45 0.387 11.256 -8.422 1.00 0.00 C ATOM 605 O CYS A 45 1.352 11.838 -7.970 1.00 0.00 O ATOM 606 CB CYS A 45 -1.220 12.803 -9.555 1.00 0.00 C ATOM 607 SG CYS A 45 -2.819 12.143 -9.020 1.00 0.00 S ATOM 0 H CYS A 45 -1.758 10.175 -9.864 1.00 0.00 H new ATOM 0 HA CYS A 45 0.562 11.989 -10.444 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.835 13.496 -8.807 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.341 13.367 -10.480 1.00 0.00 H new ATOM 612 N ARG A 46 -0.167 10.264 -7.779 1.00 0.00 N ATOM 613 CA ARG A 46 0.381 9.822 -6.466 1.00 0.00 C ATOM 614 C ARG A 46 0.055 8.342 -6.257 1.00 0.00 C ATOM 615 O ARG A 46 -0.994 7.869 -6.644 1.00 0.00 O ATOM 616 CB ARG A 46 -0.249 10.649 -5.343 1.00 0.00 C ATOM 617 CG ARG A 46 0.847 11.387 -4.571 1.00 0.00 C ATOM 618 CD ARG A 46 0.223 12.155 -3.406 1.00 0.00 C ATOM 619 NE ARG A 46 1.262 12.994 -2.747 1.00 0.00 N ATOM 620 CZ ARG A 46 1.806 12.601 -1.627 1.00 0.00 C ATOM 621 NH1 ARG A 46 1.058 12.374 -0.583 1.00 0.00 N ATOM 622 NH2 ARG A 46 3.099 12.435 -1.554 1.00 0.00 N ATOM 0 H ARG A 46 -0.978 9.740 -8.108 1.00 0.00 H new ATOM 0 HA ARG A 46 1.462 9.964 -6.454 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.959 11.364 -5.759 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.808 10.000 -4.669 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.585 10.677 -4.198 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.373 12.075 -5.233 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.592 12.783 -3.766 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.206 11.458 -2.686 1.00 0.00 H new ATOM 0 HE ARG A 46 1.549 13.876 -3.171 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.048 12.503 -0.641 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.483 12.067 0.292 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.683 12.612 -2.371 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.525 12.128 -0.680 1.00 0.00 H new ATOM 636 N ILE A 47 0.946 7.606 -5.651 1.00 0.00 N ATOM 637 CA ILE A 47 0.681 6.159 -5.426 1.00 0.00 C ATOM 638 C ILE A 47 0.874 5.832 -3.931 1.00 0.00 C ATOM 639 O ILE A 47 1.961 5.980 -3.407 1.00 0.00 O ATOM 640 CB ILE A 47 1.640 5.332 -6.309 1.00 0.00 C ATOM 641 CG1 ILE A 47 0.856 4.214 -6.993 1.00 0.00 C ATOM 642 CG2 ILE A 47 2.771 4.714 -5.480 1.00 0.00 C ATOM 643 CD1 ILE A 47 1.817 3.346 -7.806 1.00 0.00 C ATOM 0 H ILE A 47 1.843 7.944 -5.303 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.344 5.910 -5.699 1.00 0.00 H new ATOM 0 HB ILE A 47 2.081 5.999 -7.049 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.341 3.607 -6.248 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.091 4.637 -7.644 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.428 4.139 -6.132 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.343 5.506 -4.997 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.348 4.057 -4.720 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.260 2.547 -8.295 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.311 3.959 -8.560 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.566 2.913 -7.143 1.00 0.00 H new ATOM 755 N ASP A 54 -4.551 4.079 -6.745 1.00 0.00 N ATOM 756 CA ASP A 54 -3.509 5.135 -6.896 1.00 0.00 C ATOM 757 C ASP A 54 -4.175 6.473 -7.230 1.00 0.00 C ATOM 758 O ASP A 54 -5.261 6.518 -7.773 1.00 0.00 O ATOM 759 CB ASP A 54 -2.565 4.749 -8.036 1.00 0.00 C ATOM 760 CG ASP A 54 -2.303 3.242 -7.994 1.00 0.00 C ATOM 761 OD1 ASP A 54 -3.259 2.493 -8.106 1.00 0.00 O ATOM 762 OD2 ASP A 54 -1.153 2.864 -7.853 1.00 0.00 O ATOM 0 HA ASP A 54 -2.951 5.229 -5.964 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.003 5.026 -8.995 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.626 5.295 -7.945 1.00 0.00 H new ATOM 767 N ASP A 55 -3.527 7.563 -6.919 1.00 0.00 N ATOM 768 CA ASP A 55 -4.119 8.894 -7.230 1.00 0.00 C ATOM 769 C ASP A 55 -3.909 9.198 -8.715 1.00 0.00 C ATOM 770 O ASP A 55 -2.814 9.087 -9.229 1.00 0.00 O ATOM 771 CB ASP A 55 -3.430 9.971 -6.388 1.00 0.00 C ATOM 772 CG ASP A 55 -4.171 10.134 -5.061 1.00 0.00 C ATOM 773 OD1 ASP A 55 -4.449 9.126 -4.432 1.00 0.00 O ATOM 774 OD2 ASP A 55 -4.447 11.264 -4.694 1.00 0.00 O ATOM 0 H ASP A 55 -2.615 7.589 -6.464 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.185 8.885 -7.001 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.391 9.695 -6.205 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.418 10.918 -6.928 1.00 0.00 H new ATOM 779 N ARG A 56 -4.947 9.570 -9.414 1.00 0.00 N ATOM 780 CA ARG A 56 -4.790 9.867 -10.865 1.00 0.00 C ATOM 781 C ARG A 56 -5.388 11.240 -11.184 1.00 0.00 C ATOM 782 O ARG A 56 -6.346 11.668 -10.573 1.00 0.00 O ATOM 783 CB ARG A 56 -5.515 8.799 -11.685 1.00 0.00 C ATOM 784 CG ARG A 56 -4.864 7.436 -11.446 1.00 0.00 C ATOM 785 CD ARG A 56 -5.674 6.356 -12.165 1.00 0.00 C ATOM 786 NE ARG A 56 -7.064 6.340 -11.629 1.00 0.00 N ATOM 787 CZ ARG A 56 -7.583 5.224 -11.197 1.00 0.00 C ATOM 788 NH1 ARG A 56 -8.212 4.433 -12.024 1.00 0.00 N ATOM 789 NH2 ARG A 56 -7.476 4.900 -9.938 1.00 0.00 N ATOM 0 H ARG A 56 -5.891 9.680 -9.045 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.729 9.868 -11.116 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.568 8.764 -11.405 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.475 9.051 -12.745 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.837 7.441 -11.812 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.820 7.223 -10.378 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.688 6.550 -13.237 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.207 5.381 -12.024 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.610 7.201 -11.600 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.298 4.688 -13.008 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.618 3.560 -11.686 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.987 5.519 -9.292 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.882 4.027 -9.600 1.00 0.00 H new ATOM 803 N CYS A 57 -4.835 11.927 -12.149 1.00 0.00 N ATOM 804 CA CYS A 57 -5.376 13.266 -12.518 1.00 0.00 C ATOM 805 C CYS A 57 -6.654 13.078 -13.337 1.00 0.00 C ATOM 806 O CYS A 57 -6.764 12.163 -14.128 1.00 0.00 O ATOM 807 CB CYS A 57 -4.344 14.021 -13.360 1.00 0.00 C ATOM 808 SG CYS A 57 -2.795 14.171 -12.438 1.00 0.00 S ATOM 0 H CYS A 57 -4.032 11.618 -12.697 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.593 13.836 -11.614 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.170 13.494 -14.298 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.723 15.010 -13.616 1.00 0.00 H new ATOM 813 N THR A 58 -7.621 13.935 -13.156 1.00 0.00 N ATOM 814 CA THR A 58 -8.889 13.800 -13.927 1.00 0.00 C ATOM 815 C THR A 58 -8.647 14.174 -15.390 1.00 0.00 C ATOM 816 O THR A 58 -9.529 14.077 -16.219 1.00 0.00 O ATOM 817 CB THR A 58 -9.951 14.730 -13.336 1.00 0.00 C ATOM 818 OG1 THR A 58 -9.644 16.074 -13.680 1.00 0.00 O ATOM 819 CG2 THR A 58 -9.977 14.582 -11.815 1.00 0.00 C ATOM 0 H THR A 58 -7.588 14.722 -12.508 1.00 0.00 H new ATOM 0 HA THR A 58 -9.234 12.768 -13.869 1.00 0.00 H new ATOM 0 HB THR A 58 -10.929 14.466 -13.738 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.850 16.365 -13.185 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.734 15.246 -11.398 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.215 13.551 -11.554 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.001 14.844 -11.407 1.00 0.00 H new ATOM 827 N GLY A 59 -7.459 14.607 -15.715 1.00 0.00 N ATOM 828 CA GLY A 59 -7.170 14.993 -17.126 1.00 0.00 C ATOM 829 C GLY A 59 -7.501 16.474 -17.318 1.00 0.00 C ATOM 830 O GLY A 59 -6.823 17.185 -18.034 1.00 0.00 O ATOM 0 H GLY A 59 -6.678 14.710 -15.067 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.121 14.809 -17.359 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.760 14.384 -17.811 1.00 0.00 H new ATOM 834 N GLN A 60 -8.537 16.946 -16.679 1.00 0.00 N ATOM 835 CA GLN A 60 -8.911 18.379 -16.817 1.00 0.00 C ATOM 836 C GLN A 60 -8.230 19.183 -15.708 1.00 0.00 C ATOM 837 O GLN A 60 -8.124 20.392 -15.778 1.00 0.00 O ATOM 838 CB GLN A 60 -10.430 18.525 -16.695 1.00 0.00 C ATOM 839 CG GLN A 60 -11.115 17.614 -17.715 1.00 0.00 C ATOM 840 CD GLN A 60 -12.069 16.664 -16.988 1.00 0.00 C ATOM 841 OE1 GLN A 60 -12.771 17.066 -16.080 1.00 0.00 O ATOM 842 NE2 GLN A 60 -12.126 15.411 -17.350 1.00 0.00 N ATOM 0 H GLN A 60 -9.141 16.398 -16.066 1.00 0.00 H new ATOM 0 HA GLN A 60 -8.590 18.750 -17.790 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -10.751 18.265 -15.686 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -10.721 19.562 -16.865 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -11.664 18.212 -18.442 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -10.369 17.044 -18.269 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -11.538 15.073 -18.111 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -12.759 14.770 -16.871 1.00 0.00 H new ATOM 851 N SER A 61 -7.766 18.520 -14.682 1.00 0.00 N ATOM 852 CA SER A 61 -7.090 19.245 -13.569 1.00 0.00 C ATOM 853 C SER A 61 -5.574 19.149 -13.747 1.00 0.00 C ATOM 854 O SER A 61 -5.050 18.128 -14.146 1.00 0.00 O ATOM 855 CB SER A 61 -7.490 18.617 -12.234 1.00 0.00 C ATOM 856 OG SER A 61 -7.165 17.233 -12.251 1.00 0.00 O ATOM 0 H SER A 61 -7.826 17.508 -14.567 1.00 0.00 H new ATOM 0 HA SER A 61 -7.391 20.293 -13.580 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.971 19.114 -11.415 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.558 18.750 -12.062 1.00 0.00 H new ATOM 0 HG SER A 61 -7.419 16.827 -11.396 1.00 0.00 H new ATOM 862 N ALA A 62 -4.865 20.206 -13.462 1.00 0.00 N ATOM 863 CA ALA A 62 -3.383 20.177 -13.622 1.00 0.00 C ATOM 864 C ALA A 62 -2.735 19.587 -12.367 1.00 0.00 C ATOM 865 O ALA A 62 -1.788 18.828 -12.445 1.00 0.00 O ATOM 866 CB ALA A 62 -2.868 21.601 -13.837 1.00 0.00 C ATOM 0 H ALA A 62 -5.248 21.089 -13.125 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.127 19.559 -14.483 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.784 21.582 -13.954 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.323 22.021 -14.734 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.129 22.216 -12.976 1.00 0.00 H new ATOM 872 N ASP A 63 -3.232 19.931 -11.211 1.00 0.00 N ATOM 873 CA ASP A 63 -2.636 19.393 -9.955 1.00 0.00 C ATOM 874 C ASP A 63 -3.410 18.152 -9.506 1.00 0.00 C ATOM 875 O ASP A 63 -4.479 17.860 -10.001 1.00 0.00 O ATOM 876 CB ASP A 63 -2.707 20.460 -8.861 1.00 0.00 C ATOM 877 CG ASP A 63 -2.402 21.831 -9.466 1.00 0.00 C ATOM 878 OD1 ASP A 63 -3.306 22.417 -10.039 1.00 0.00 O ATOM 879 OD2 ASP A 63 -1.271 22.271 -9.348 1.00 0.00 O ATOM 0 H ASP A 63 -4.024 20.561 -11.081 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.596 19.123 -10.136 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.697 20.464 -8.405 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.993 20.233 -8.070 1.00 0.00 H new ATOM 884 N CYS A 64 -2.875 17.422 -8.565 1.00 0.00 N ATOM 885 CA CYS A 64 -3.573 16.201 -8.076 1.00 0.00 C ATOM 886 C CYS A 64 -4.069 16.437 -6.653 1.00 0.00 C ATOM 887 O CYS A 64 -3.285 16.527 -5.729 1.00 0.00 O ATOM 888 CB CYS A 64 -2.604 15.016 -8.094 1.00 0.00 C ATOM 889 SG CYS A 64 -3.502 13.498 -7.687 1.00 0.00 S ATOM 0 H CYS A 64 -1.982 17.620 -8.113 1.00 0.00 H new ATOM 0 HA CYS A 64 -4.422 15.982 -8.724 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.141 14.925 -9.077 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -1.800 15.179 -7.377 1.00 0.00 H new ATOM 894 N PRO A 65 -5.366 16.535 -6.522 1.00 0.00 N ATOM 895 CA PRO A 65 -6.010 16.765 -5.227 1.00 0.00 C ATOM 896 C PRO A 65 -6.053 15.467 -4.411 1.00 0.00 C ATOM 897 O PRO A 65 -5.123 15.143 -3.700 1.00 0.00 O ATOM 898 CB PRO A 65 -7.415 17.228 -5.610 1.00 0.00 C ATOM 899 CG PRO A 65 -7.682 16.718 -7.041 1.00 0.00 C ATOM 900 CD PRO A 65 -6.311 16.422 -7.658 1.00 0.00 C ATOM 0 HA PRO A 65 -5.485 17.489 -4.604 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -8.155 16.831 -4.915 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -7.488 18.315 -5.568 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -8.302 15.822 -7.024 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -8.218 17.465 -7.626 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -6.281 15.427 -8.103 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -6.069 17.132 -8.449 1.00 0.00 H new