USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 582 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 21 ASN : amide:sc= -0.0139 K(o=-0.68,f=-3.2!) USER MOD Set 1.2: A 35 SER OG : rot 173:sc= -0.666 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.321 USER MOD Single : A 23 MET CE :methyl 140:sc= -0.408 (180deg=-3.32!) USER MOD Single : A 30 SER OG : rot -170:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.0067 K(o=-0.0067,f=-0.7) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.773 X(o=-0.77,f=-1) USER MOD Single : A 57 SER OG : rot 180:sc= -0.551 USER MOD Single : A 59 ASN : amide:sc= -4.94! C(o=-4.9!,f=-6.3!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.86 K(o=-1.9,f=-4.6!) USER MOD Single : A 68 HIS : no HD1:sc= -2.41! K(o=-2.4!,f=-0.99) USER MOD Single : A 70 LYS NZ :NH3+ -171:sc= 1.17 (180deg=1.09) USER MOD Single : A 76 LYS NZ :NH3+ -148:sc= -0.267 (180deg=-1.64!) USER MOD Single : A 79 GLN : amide:sc= -0.0176 K(o=-0.018,f=-1.2!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -4.599 -3.106 -10.532 1.00 0.00 N ATOM 60 CA GLY A 7 -5.121 -1.977 -9.784 1.00 0.00 C ATOM 61 C GLY A 7 -4.029 -1.184 -9.094 1.00 0.00 C ATOM 62 O GLY A 7 -3.410 -1.662 -8.143 1.00 0.00 O ATOM 0 HA2 GLY A 7 -5.671 -1.321 -10.459 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.831 -2.336 -9.039 1.00 0.00 H new ATOM 66 N VAL A 8 -3.789 0.032 -9.575 1.00 0.00 N ATOM 67 CA VAL A 8 -2.764 0.894 -9.000 1.00 0.00 C ATOM 68 C VAL A 8 -3.386 2.099 -8.303 1.00 0.00 C ATOM 69 O VAL A 8 -4.187 2.824 -8.892 1.00 0.00 O ATOM 70 CB VAL A 8 -1.778 1.388 -10.075 1.00 0.00 C ATOM 71 CG1 VAL A 8 -2.530 1.951 -11.271 1.00 0.00 C ATOM 72 CG2 VAL A 8 -0.832 2.428 -9.492 1.00 0.00 C ATOM 0 H VAL A 8 -4.291 0.442 -10.362 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.222 0.295 -8.268 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.184 0.540 -10.416 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.817 2.295 -12.020 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.162 1.175 -11.702 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.151 2.787 -10.950 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.142 2.766 -10.265 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.407 3.277 -9.123 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.268 1.987 -8.670 1.00 0.00 H new ATOM 82 N VAL A 9 -3.011 2.307 -7.045 1.00 0.00 N ATOM 83 CA VAL A 9 -3.530 3.425 -6.267 1.00 0.00 C ATOM 84 C VAL A 9 -2.495 4.538 -6.146 1.00 0.00 C ATOM 85 O VAL A 9 -1.543 4.431 -5.374 1.00 0.00 O ATOM 86 CB VAL A 9 -3.956 2.978 -4.856 1.00 0.00 C ATOM 87 CG1 VAL A 9 -4.402 4.174 -4.029 1.00 0.00 C ATOM 88 CG2 VAL A 9 -5.059 1.934 -4.938 1.00 0.00 C ATOM 0 H VAL A 9 -2.349 1.715 -6.543 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.404 3.802 -6.799 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.096 2.526 -4.362 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.699 3.839 -3.035 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.579 4.883 -3.942 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.248 4.658 -4.517 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.347 1.630 -3.932 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.923 2.357 -5.451 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.698 1.066 -5.490 1.00 0.00 H new ATOM 98 N GLU A 10 -2.690 5.606 -6.913 1.00 0.00 N ATOM 99 CA GLU A 10 -1.772 6.739 -6.891 1.00 0.00 C ATOM 100 C GLU A 10 -2.166 7.737 -5.806 1.00 0.00 C ATOM 101 O GLU A 10 -3.212 8.383 -5.891 1.00 0.00 O ATOM 102 CB GLU A 10 -1.751 7.433 -8.255 1.00 0.00 C ATOM 103 CG GLU A 10 -0.420 8.089 -8.583 1.00 0.00 C ATOM 104 CD GLU A 10 -0.572 9.294 -9.490 1.00 0.00 C ATOM 105 OE1 GLU A 10 -1.134 10.312 -9.034 1.00 0.00 O ATOM 106 OE2 GLU A 10 -0.129 9.220 -10.655 1.00 0.00 O ATOM 0 H GLU A 10 -3.474 5.710 -7.557 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.774 6.362 -6.668 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.987 6.702 -9.029 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.536 8.189 -8.281 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.068 8.395 -7.658 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.233 7.359 -9.061 1.00 0.00 H new ATOM 113 N LEU A 11 -1.322 7.858 -4.787 1.00 0.00 N ATOM 114 CA LEU A 11 -1.581 8.777 -3.684 1.00 0.00 C ATOM 115 C LEU A 11 -0.554 9.905 -3.663 1.00 0.00 C ATOM 116 O LEU A 11 0.576 9.758 -4.128 1.00 0.00 O ATOM 117 CB LEU A 11 -1.557 8.025 -2.352 1.00 0.00 C ATOM 118 CG LEU A 11 -2.629 6.951 -2.168 1.00 0.00 C ATOM 119 CD1 LEU A 11 -2.238 5.991 -1.055 1.00 0.00 C ATOM 120 CD2 LEU A 11 -3.979 7.590 -1.874 1.00 0.00 C ATOM 0 H LEU A 11 -0.453 7.331 -4.702 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.569 9.213 -3.830 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.579 7.557 -2.240 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.657 8.752 -1.546 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.711 6.385 -3.096 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.013 5.234 -0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.294 5.508 -1.306 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.127 6.542 -0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.730 6.811 -1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.910 8.182 -0.961 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.264 8.236 -2.704 1.00 0.00 H new ATOM 132 N PRO A 12 -0.955 11.059 -3.110 1.00 0.00 N ATOM 133 CA PRO A 12 -0.084 12.234 -3.012 1.00 0.00 C ATOM 134 C PRO A 12 1.050 12.034 -2.012 1.00 0.00 C ATOM 135 O PRO A 12 0.814 11.724 -0.844 1.00 0.00 O ATOM 136 CB PRO A 12 -1.030 13.338 -2.533 1.00 0.00 C ATOM 137 CG PRO A 12 -2.123 12.619 -1.821 1.00 0.00 C ATOM 138 CD PRO A 12 -2.288 11.306 -2.535 1.00 0.00 C ATOM 0 HA PRO A 12 0.408 12.456 -3.959 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.519 14.037 -1.871 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.418 13.918 -3.371 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.870 12.464 -0.772 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.048 13.195 -1.844 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.584 10.511 -1.850 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.055 11.363 -3.308 1.00 0.00 H new ATOM 146 N LYS A 13 2.281 12.214 -2.477 1.00 0.00 N ATOM 147 CA LYS A 13 3.453 12.055 -1.624 1.00 0.00 C ATOM 148 C LYS A 13 3.822 13.375 -0.955 1.00 0.00 C ATOM 149 O LYS A 13 4.311 14.298 -1.607 1.00 0.00 O ATOM 150 CB LYS A 13 4.638 11.536 -2.441 1.00 0.00 C ATOM 151 CG LYS A 13 5.953 11.546 -1.680 1.00 0.00 C ATOM 152 CD LYS A 13 6.179 10.238 -0.940 1.00 0.00 C ATOM 153 CE LYS A 13 5.602 10.288 0.467 1.00 0.00 C ATOM 154 NZ LYS A 13 5.296 8.927 0.989 1.00 0.00 N ATOM 0 H LYS A 13 2.493 12.470 -3.441 1.00 0.00 H new ATOM 0 HA LYS A 13 3.210 11.330 -0.847 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.425 10.518 -2.768 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.743 12.144 -3.339 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.775 11.719 -2.375 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.957 12.373 -0.969 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.719 9.420 -1.495 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.247 10.027 -0.889 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.310 10.782 1.133 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.693 10.889 0.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.905 9.003 1.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.601 8.465 0.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.168 8.361 1.014 1.00 0.00 H new ATOM 168 N THR A 14 3.587 13.458 0.351 1.00 0.00 N ATOM 169 CA THR A 14 3.896 14.665 1.108 1.00 0.00 C ATOM 170 C THR A 14 3.866 14.396 2.608 1.00 0.00 C ATOM 171 O THR A 14 3.498 13.306 3.045 1.00 0.00 O ATOM 172 CB THR A 14 2.907 15.800 0.782 1.00 0.00 C ATOM 173 OG1 THR A 14 3.164 16.930 1.622 1.00 0.00 O ATOM 174 CG2 THR A 14 1.470 15.337 0.972 1.00 0.00 C ATOM 0 H THR A 14 3.184 12.704 0.906 1.00 0.00 H new ATOM 0 HA THR A 14 4.900 14.973 0.817 1.00 0.00 H new ATOM 0 HB THR A 14 3.046 16.084 -0.261 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.532 17.648 1.407 1.00 0.00 H new ATOM 0 HG21 THR A 14 0.790 16.155 0.736 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.268 14.495 0.310 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.321 15.028 2.007 1.00 0.00 H new ATOM 182 N ASP A 15 4.257 15.395 3.391 1.00 0.00 N ATOM 183 CA ASP A 15 4.273 15.266 4.844 1.00 0.00 C ATOM 184 C ASP A 15 2.891 14.898 5.372 1.00 0.00 C ATOM 185 O ASP A 15 2.766 14.160 6.350 1.00 0.00 O ATOM 186 CB ASP A 15 4.748 16.570 5.487 1.00 0.00 C ATOM 187 CG ASP A 15 4.294 16.704 6.927 1.00 0.00 C ATOM 188 OD1 ASP A 15 4.782 15.931 7.777 1.00 0.00 O ATOM 189 OD2 ASP A 15 3.449 17.581 7.204 1.00 0.00 O ATOM 0 H ASP A 15 4.567 16.303 3.045 1.00 0.00 H new ATOM 0 HA ASP A 15 4.966 14.467 5.106 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.836 16.616 5.446 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.371 17.415 4.910 1.00 0.00 H new ATOM 194 N GLU A 16 1.855 15.417 4.720 1.00 0.00 N ATOM 195 CA GLU A 16 0.482 15.144 5.127 1.00 0.00 C ATOM 196 C GLU A 16 0.297 13.666 5.460 1.00 0.00 C ATOM 197 O GLU A 16 -0.489 13.310 6.337 1.00 0.00 O ATOM 198 CB GLU A 16 -0.492 15.554 4.021 1.00 0.00 C ATOM 199 CG GLU A 16 -0.680 17.057 3.901 1.00 0.00 C ATOM 200 CD GLU A 16 -1.426 17.454 2.642 1.00 0.00 C ATOM 201 OE1 GLU A 16 -2.420 16.777 2.305 1.00 0.00 O ATOM 202 OE2 GLU A 16 -1.017 18.440 1.995 1.00 0.00 O ATOM 0 H GLU A 16 1.941 16.029 3.908 1.00 0.00 H new ATOM 0 HA GLU A 16 0.272 15.730 6.022 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.132 15.164 3.069 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.460 15.089 4.210 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.225 17.422 4.772 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.296 17.543 3.909 1.00 0.00 H new ATOM 209 N GLY A 17 1.028 12.810 4.752 1.00 0.00 N ATOM 210 CA GLY A 17 0.930 11.381 4.987 1.00 0.00 C ATOM 211 C GLY A 17 -0.112 10.719 4.107 1.00 0.00 C ATOM 212 O GLY A 17 -0.844 11.395 3.383 1.00 0.00 O ATOM 0 H GLY A 17 1.686 13.080 4.021 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.900 10.919 4.806 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.683 11.204 6.034 1.00 0.00 H new ATOM 216 N LEU A 18 -0.179 9.394 4.168 1.00 0.00 N ATOM 217 CA LEU A 18 -1.139 8.639 3.369 1.00 0.00 C ATOM 218 C LEU A 18 -2.373 8.285 4.192 1.00 0.00 C ATOM 219 O LEU A 18 -3.493 8.651 3.839 1.00 0.00 O ATOM 220 CB LEU A 18 -0.490 7.365 2.826 1.00 0.00 C ATOM 221 CG LEU A 18 0.590 7.562 1.761 1.00 0.00 C ATOM 222 CD1 LEU A 18 -0.004 8.187 0.508 1.00 0.00 C ATOM 223 CD2 LEU A 18 1.722 8.423 2.303 1.00 0.00 C ATOM 0 H LEU A 18 0.419 8.820 4.762 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.451 9.265 2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.052 6.820 3.662 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.273 6.732 2.408 1.00 0.00 H new ATOM 0 HG LEU A 18 0.996 6.585 1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.779 8.320 -0.239 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.780 7.534 0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.438 9.156 0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.482 8.553 1.532 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.330 9.398 2.594 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.166 7.936 3.171 1.00 0.00 H new ATOM 235 N GLY A 19 -2.159 7.570 5.293 1.00 0.00 N ATOM 236 CA GLY A 19 -3.263 7.180 6.150 1.00 0.00 C ATOM 237 C GLY A 19 -3.556 5.694 6.078 1.00 0.00 C ATOM 238 O GLY A 19 -4.714 5.285 6.002 1.00 0.00 O ATOM 0 H GLY A 19 -1.241 7.254 5.606 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.033 7.452 7.180 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.155 7.737 5.864 1.00 0.00 H new ATOM 242 N PHE A 20 -2.503 4.883 6.099 1.00 0.00 N ATOM 243 CA PHE A 20 -2.652 3.434 6.032 1.00 0.00 C ATOM 244 C PHE A 20 -1.587 2.738 6.874 1.00 0.00 C ATOM 245 O PHE A 20 -0.508 3.284 7.104 1.00 0.00 O ATOM 246 CB PHE A 20 -2.565 2.957 4.581 1.00 0.00 C ATOM 247 CG PHE A 20 -1.166 2.958 4.033 1.00 0.00 C ATOM 248 CD1 PHE A 20 -0.549 4.146 3.674 1.00 0.00 C ATOM 249 CD2 PHE A 20 -0.469 1.771 3.877 1.00 0.00 C ATOM 250 CE1 PHE A 20 0.738 4.150 3.170 1.00 0.00 C ATOM 251 CE2 PHE A 20 0.819 1.769 3.374 1.00 0.00 C ATOM 252 CZ PHE A 20 1.422 2.960 3.019 1.00 0.00 C ATOM 0 H PHE A 20 -1.537 5.205 6.162 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.632 3.176 6.433 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.973 1.948 4.513 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.191 3.596 3.958 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.080 5.079 3.789 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.937 0.837 4.151 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.208 5.083 2.895 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.353 0.837 3.259 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.427 2.960 2.624 1.00 0.00 H new ATOM 262 N ASN A 21 -1.898 1.530 7.330 1.00 0.00 N ATOM 263 CA ASN A 21 -0.968 0.758 8.147 1.00 0.00 C ATOM 264 C ASN A 21 -0.667 -0.591 7.503 1.00 0.00 C ATOM 265 O ASN A 21 -1.513 -1.164 6.814 1.00 0.00 O ATOM 266 CB ASN A 21 -1.541 0.549 9.550 1.00 0.00 C ATOM 267 CG ASN A 21 -0.459 0.442 10.607 1.00 0.00 C ATOM 268 OD1 ASN A 21 0.372 -0.466 10.570 1.00 0.00 O ATOM 269 ND2 ASN A 21 -0.465 1.370 11.557 1.00 0.00 N ATOM 0 H ASN A 21 -2.787 1.064 7.148 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.037 1.320 8.222 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.204 1.378 9.796 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.146 -0.357 9.561 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.238 1.348 12.295 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.173 2.104 11.548 1.00 0.00 H new ATOM 276 N ILE A 22 0.541 -1.094 7.731 1.00 0.00 N ATOM 277 CA ILE A 22 0.953 -2.376 7.173 1.00 0.00 C ATOM 278 C ILE A 22 1.705 -3.208 8.206 1.00 0.00 C ATOM 279 O ILE A 22 2.592 -2.706 8.896 1.00 0.00 O ATOM 280 CB ILE A 22 1.845 -2.191 5.932 1.00 0.00 C ATOM 281 CG1 ILE A 22 2.977 -1.206 6.233 1.00 0.00 C ATOM 282 CG2 ILE A 22 1.015 -1.708 4.751 1.00 0.00 C ATOM 283 CD1 ILE A 22 3.888 -0.954 5.052 1.00 0.00 C ATOM 0 H ILE A 22 1.252 -0.633 8.299 1.00 0.00 H new ATOM 0 HA ILE A 22 0.043 -2.899 6.880 1.00 0.00 H new ATOM 0 HB ILE A 22 2.286 -3.153 5.672 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.547 -0.259 6.558 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.570 -1.589 7.064 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.659 -1.582 3.881 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.241 -2.442 4.526 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.550 -0.754 4.999 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.667 -0.247 5.338 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.347 -1.892 4.740 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.308 -0.541 4.227 1.00 0.00 H new ATOM 295 N MET A 23 1.345 -4.484 8.306 1.00 0.00 N ATOM 296 CA MET A 23 1.989 -5.387 9.253 1.00 0.00 C ATOM 297 C MET A 23 2.474 -6.653 8.553 1.00 0.00 C ATOM 298 O MET A 23 2.226 -6.850 7.364 1.00 0.00 O ATOM 299 CB MET A 23 1.021 -5.752 10.380 1.00 0.00 C ATOM 300 CG MET A 23 0.056 -6.868 10.015 1.00 0.00 C ATOM 301 SD MET A 23 -0.836 -7.511 11.444 1.00 0.00 S ATOM 302 CE MET A 23 -2.476 -6.858 11.142 1.00 0.00 C ATOM 0 H MET A 23 0.612 -4.915 7.743 1.00 0.00 H new ATOM 0 HA MET A 23 2.852 -4.874 9.677 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.594 -6.051 11.258 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.450 -4.866 10.659 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.660 -6.498 9.281 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.608 -7.680 9.541 1.00 0.00 H new ATOM 0 HE1 MET A 23 -3.221 -7.611 11.401 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.632 -5.969 11.753 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.575 -6.596 10.089 1.00 0.00 H new ATOM 312 N GLY A 24 3.166 -7.508 9.299 1.00 0.00 N ATOM 313 CA GLY A 24 3.675 -8.744 8.733 1.00 0.00 C ATOM 314 C GLY A 24 4.646 -8.503 7.594 1.00 0.00 C ATOM 315 O GLY A 24 4.601 -7.462 6.940 1.00 0.00 O ATOM 0 H GLY A 24 3.383 -7.367 10.286 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.171 -9.320 9.514 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.841 -9.346 8.374 1.00 0.00 H new ATOM 394 N SER A 30 5.753 -13.664 6.224 1.00 0.00 N ATOM 395 CA SER A 30 4.398 -13.365 5.777 1.00 0.00 C ATOM 396 C SER A 30 4.399 -12.223 4.766 1.00 0.00 C ATOM 397 O SER A 30 5.274 -11.356 4.771 1.00 0.00 O ATOM 398 CB SER A 30 3.513 -13.003 6.971 1.00 0.00 C ATOM 399 OG SER A 30 3.703 -11.653 7.356 1.00 0.00 O ATOM 0 HA SER A 30 3.997 -14.255 5.293 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.466 -13.167 6.715 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.743 -13.660 7.810 1.00 0.00 H new ATOM 0 HG SER A 30 3.251 -11.490 8.210 1.00 0.00 H new ATOM 405 N PRO A 31 3.396 -12.220 3.875 1.00 0.00 N ATOM 406 CA PRO A 31 3.258 -11.191 2.841 1.00 0.00 C ATOM 407 C PRO A 31 2.876 -9.834 3.422 1.00 0.00 C ATOM 408 O PRO A 31 2.391 -9.745 4.550 1.00 0.00 O ATOM 409 CB PRO A 31 2.132 -11.729 1.954 1.00 0.00 C ATOM 410 CG PRO A 31 1.336 -12.616 2.848 1.00 0.00 C ATOM 411 CD PRO A 31 2.319 -13.222 3.811 1.00 0.00 C ATOM 0 HA PRO A 31 4.194 -11.019 2.309 1.00 0.00 H new ATOM 0 HB2 PRO A 31 1.522 -10.919 1.554 1.00 0.00 H new ATOM 0 HB3 PRO A 31 2.529 -12.280 1.101 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.569 -12.050 3.377 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.823 -13.389 2.275 1.00 0.00 H new ATOM 0 HD2 PRO A 31 1.870 -13.392 4.790 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.687 -14.185 3.457 1.00 0.00 H new ATOM 419 N ILE A 32 3.098 -8.779 2.644 1.00 0.00 N ATOM 420 CA ILE A 32 2.776 -7.427 3.082 1.00 0.00 C ATOM 421 C ILE A 32 1.355 -7.043 2.681 1.00 0.00 C ATOM 422 O ILE A 32 0.991 -7.111 1.506 1.00 0.00 O ATOM 423 CB ILE A 32 3.758 -6.396 2.495 1.00 0.00 C ATOM 424 CG1 ILE A 32 5.199 -6.777 2.844 1.00 0.00 C ATOM 425 CG2 ILE A 32 3.434 -5.002 3.010 1.00 0.00 C ATOM 426 CD1 ILE A 32 6.224 -6.197 1.894 1.00 0.00 C ATOM 0 H ILE A 32 3.499 -8.835 1.708 1.00 0.00 H new ATOM 0 HA ILE A 32 2.860 -7.419 4.169 1.00 0.00 H new ATOM 0 HB ILE A 32 3.654 -6.394 1.410 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.421 -6.438 3.856 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.289 -7.863 2.844 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.137 -4.285 2.586 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.419 -4.732 2.717 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.513 -4.988 4.097 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.222 -6.508 2.202 1.00 0.00 H new ATOM 0 HD12 ILE A 32 6.028 -6.556 0.884 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.161 -5.109 1.911 1.00 0.00 H new ATOM 438 N TYR A 33 0.558 -6.639 3.663 1.00 0.00 N ATOM 439 CA TYR A 33 -0.823 -6.245 3.413 1.00 0.00 C ATOM 440 C TYR A 33 -1.236 -5.096 4.329 1.00 0.00 C ATOM 441 O TYR A 33 -0.494 -4.710 5.232 1.00 0.00 O ATOM 442 CB TYR A 33 -1.761 -7.436 3.618 1.00 0.00 C ATOM 443 CG TYR A 33 -1.523 -8.179 4.913 1.00 0.00 C ATOM 444 CD1 TYR A 33 -0.593 -9.209 4.985 1.00 0.00 C ATOM 445 CD2 TYR A 33 -2.228 -7.851 6.064 1.00 0.00 C ATOM 446 CE1 TYR A 33 -0.373 -9.891 6.166 1.00 0.00 C ATOM 447 CE2 TYR A 33 -2.013 -8.527 7.250 1.00 0.00 C ATOM 448 CZ TYR A 33 -1.085 -9.546 7.296 1.00 0.00 C ATOM 449 OH TYR A 33 -0.869 -10.222 8.475 1.00 0.00 O ATOM 0 H TYR A 33 0.844 -6.576 4.640 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.896 -5.907 2.379 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.792 -7.084 3.595 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.643 -8.129 2.785 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.033 -9.481 4.103 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.956 -7.054 6.032 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.353 -10.690 6.204 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.569 -8.259 8.136 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.450 -9.855 9.174 1.00 0.00 H new ATOM 459 N ILE A 34 -2.425 -4.554 4.087 1.00 0.00 N ATOM 460 CA ILE A 34 -2.938 -3.451 4.890 1.00 0.00 C ATOM 461 C ILE A 34 -3.485 -3.949 6.224 1.00 0.00 C ATOM 462 O ILE A 34 -4.476 -4.678 6.267 1.00 0.00 O ATOM 463 CB ILE A 34 -4.048 -2.683 4.148 1.00 0.00 C ATOM 464 CG1 ILE A 34 -3.586 -2.313 2.737 1.00 0.00 C ATOM 465 CG2 ILE A 34 -4.441 -1.436 4.926 1.00 0.00 C ATOM 466 CD1 ILE A 34 -2.558 -1.204 2.709 1.00 0.00 C ATOM 0 H ILE A 34 -3.051 -4.861 3.342 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.100 -2.778 5.072 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.923 -3.328 4.067 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.167 -3.198 2.257 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.452 -2.010 2.148 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.226 -0.904 4.389 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.806 -1.722 5.912 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.572 -0.787 5.035 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.277 -0.995 1.677 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.980 -0.306 3.160 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.676 -1.512 3.270 1.00 0.00 H new ATOM 478 N SER A 35 -2.833 -3.550 7.311 1.00 0.00 N ATOM 479 CA SER A 35 -3.252 -3.957 8.647 1.00 0.00 C ATOM 480 C SER A 35 -4.406 -3.091 9.141 1.00 0.00 C ATOM 481 O SER A 35 -5.420 -3.602 9.619 1.00 0.00 O ATOM 482 CB SER A 35 -2.077 -3.867 9.623 1.00 0.00 C ATOM 483 OG SER A 35 -1.480 -2.583 9.584 1.00 0.00 O ATOM 0 H SER A 35 -2.012 -2.945 7.293 1.00 0.00 H new ATOM 0 HA SER A 35 -3.593 -4.991 8.595 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.423 -4.080 10.634 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.334 -4.625 9.374 1.00 0.00 H new ATOM 0 HG SER A 35 -0.812 -2.511 10.298 1.00 0.00 H new ATOM 489 N ARG A 36 -4.245 -1.777 9.024 1.00 0.00 N ATOM 490 CA ARG A 36 -5.272 -0.839 9.460 1.00 0.00 C ATOM 491 C ARG A 36 -5.359 0.352 8.510 1.00 0.00 C ATOM 492 O ARG A 36 -4.349 0.801 7.966 1.00 0.00 O ATOM 493 CB ARG A 36 -4.978 -0.352 10.880 1.00 0.00 C ATOM 494 CG ARG A 36 -6.133 0.404 11.515 1.00 0.00 C ATOM 495 CD ARG A 36 -5.713 1.074 12.815 1.00 0.00 C ATOM 496 NE ARG A 36 -4.664 2.067 12.604 1.00 0.00 N ATOM 497 CZ ARG A 36 -4.397 3.047 13.460 1.00 0.00 C ATOM 498 NH1 ARG A 36 -5.099 3.164 14.579 1.00 0.00 N ATOM 499 NH2 ARG A 36 -3.426 3.913 13.198 1.00 0.00 N ATOM 0 H ARG A 36 -3.413 -1.338 8.631 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.230 -1.359 9.452 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.729 -1.210 11.505 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.100 0.293 10.859 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.503 1.157 10.819 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.957 -0.283 11.708 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.579 1.553 13.272 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.360 0.317 13.516 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.106 2.005 11.753 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.846 2.500 14.784 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.892 3.917 15.235 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.884 3.827 12.338 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.222 4.665 13.856 1.00 0.00 H new ATOM 513 N VAL A 37 -6.572 0.859 8.314 1.00 0.00 N ATOM 514 CA VAL A 37 -6.791 1.998 7.431 1.00 0.00 C ATOM 515 C VAL A 37 -7.363 3.186 8.196 1.00 0.00 C ATOM 516 O VAL A 37 -8.364 3.058 8.901 1.00 0.00 O ATOM 517 CB VAL A 37 -7.745 1.638 6.276 1.00 0.00 C ATOM 518 CG1 VAL A 37 -8.022 2.858 5.411 1.00 0.00 C ATOM 519 CG2 VAL A 37 -7.168 0.503 5.443 1.00 0.00 C ATOM 0 H VAL A 37 -7.418 0.499 8.755 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.819 2.269 7.019 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.691 1.302 6.701 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -8.698 2.584 4.601 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -8.481 3.638 6.018 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.086 3.228 4.993 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.855 0.262 4.632 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.208 0.809 5.027 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.027 -0.375 6.073 1.00 0.00 H new ATOM 529 N ILE A 38 -6.721 4.340 8.053 1.00 0.00 N ATOM 530 CA ILE A 38 -7.167 5.551 8.730 1.00 0.00 C ATOM 531 C ILE A 38 -8.535 5.994 8.221 1.00 0.00 C ATOM 532 O ILE A 38 -8.727 6.258 7.034 1.00 0.00 O ATOM 533 CB ILE A 38 -6.164 6.704 8.541 1.00 0.00 C ATOM 534 CG1 ILE A 38 -4.762 6.265 8.969 1.00 0.00 C ATOM 535 CG2 ILE A 38 -6.606 7.926 9.332 1.00 0.00 C ATOM 536 CD1 ILE A 38 -4.685 5.807 10.408 1.00 0.00 C ATOM 0 H ILE A 38 -5.890 4.462 7.474 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.237 5.311 9.791 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.135 6.970 7.484 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -4.430 5.455 8.320 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.070 7.094 8.823 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.887 8.732 9.188 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.587 8.249 8.985 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.661 7.674 10.391 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.662 5.511 10.641 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.986 6.622 11.066 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.351 4.957 10.555 1.00 0.00 H new ATOM 548 N PRO A 39 -9.509 6.079 9.139 1.00 0.00 N ATOM 549 CA PRO A 39 -10.875 6.492 8.807 1.00 0.00 C ATOM 550 C PRO A 39 -10.961 7.969 8.437 1.00 0.00 C ATOM 551 O PRO A 39 -12.045 8.494 8.186 1.00 0.00 O ATOM 552 CB PRO A 39 -11.652 6.218 10.097 1.00 0.00 C ATOM 553 CG PRO A 39 -10.629 6.290 11.178 1.00 0.00 C ATOM 554 CD PRO A 39 -9.351 5.779 10.572 1.00 0.00 C ATOM 0 HA PRO A 39 -11.262 5.959 7.939 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.440 6.955 10.248 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -12.131 5.239 10.070 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -10.510 7.313 11.535 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -10.924 5.685 12.035 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.479 6.279 10.993 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -9.222 4.711 10.747 1.00 0.00 H new ATOM 562 N GLY A 40 -9.810 8.634 8.403 1.00 0.00 N ATOM 563 CA GLY A 40 -9.778 10.044 8.062 1.00 0.00 C ATOM 564 C GLY A 40 -8.451 10.465 7.462 1.00 0.00 C ATOM 565 O GLY A 40 -7.892 11.495 7.835 1.00 0.00 O ATOM 0 H GLY A 40 -8.899 8.221 8.606 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.578 10.262 7.355 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.973 10.636 8.957 1.00 0.00 H new ATOM 569 N GLY A 41 -7.944 9.664 6.529 1.00 0.00 N ATOM 570 CA GLY A 41 -6.678 9.975 5.892 1.00 0.00 C ATOM 571 C GLY A 41 -6.797 10.081 4.385 1.00 0.00 C ATOM 572 O GLY A 41 -7.885 9.927 3.829 1.00 0.00 O ATOM 0 H GLY A 41 -8.388 8.805 6.203 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.296 10.915 6.290 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.950 9.204 6.142 1.00 0.00 H new ATOM 576 N VAL A 42 -5.676 10.346 3.721 1.00 0.00 N ATOM 577 CA VAL A 42 -5.660 10.473 2.269 1.00 0.00 C ATOM 578 C VAL A 42 -6.078 9.169 1.598 1.00 0.00 C ATOM 579 O VAL A 42 -6.894 9.166 0.677 1.00 0.00 O ATOM 580 CB VAL A 42 -4.265 10.876 1.757 1.00 0.00 C ATOM 581 CG1 VAL A 42 -4.250 10.936 0.237 1.00 0.00 C ATOM 582 CG2 VAL A 42 -3.843 12.210 2.355 1.00 0.00 C ATOM 0 H VAL A 42 -4.768 10.477 4.166 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.374 11.255 2.012 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.548 10.118 2.074 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.256 11.222 -0.106 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.506 9.957 -0.168 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.978 11.672 -0.105 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.855 12.479 1.982 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.560 12.980 2.070 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.811 12.128 3.441 1.00 0.00 H new ATOM 592 N ALA A 43 -5.513 8.061 2.068 1.00 0.00 N ATOM 593 CA ALA A 43 -5.829 6.750 1.515 1.00 0.00 C ATOM 594 C ALA A 43 -7.333 6.498 1.523 1.00 0.00 C ATOM 595 O ALA A 43 -7.949 6.333 0.470 1.00 0.00 O ATOM 596 CB ALA A 43 -5.106 5.661 2.294 1.00 0.00 C ATOM 0 H ALA A 43 -4.835 8.046 2.830 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.489 6.729 0.480 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.351 4.687 1.870 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.030 5.823 2.233 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.419 5.692 3.338 1.00 0.00 H new ATOM 602 N ASP A 44 -7.917 6.471 2.716 1.00 0.00 N ATOM 603 CA ASP A 44 -9.350 6.240 2.860 1.00 0.00 C ATOM 604 C ASP A 44 -10.132 6.994 1.790 1.00 0.00 C ATOM 605 O ASP A 44 -10.815 6.388 0.964 1.00 0.00 O ATOM 606 CB ASP A 44 -9.819 6.669 4.251 1.00 0.00 C ATOM 607 CG ASP A 44 -11.330 6.752 4.352 1.00 0.00 C ATOM 608 OD1 ASP A 44 -11.904 7.745 3.857 1.00 0.00 O ATOM 609 OD2 ASP A 44 -11.938 5.824 4.925 1.00 0.00 O ATOM 0 H ASP A 44 -7.421 6.606 3.597 1.00 0.00 H new ATOM 0 HA ASP A 44 -9.536 5.173 2.735 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.447 5.961 4.991 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.388 7.640 4.493 1.00 0.00 H new ATOM 614 N ARG A 45 -10.029 8.319 1.811 1.00 0.00 N ATOM 615 CA ARG A 45 -10.728 9.156 0.844 1.00 0.00 C ATOM 616 C ARG A 45 -10.675 8.537 -0.550 1.00 0.00 C ATOM 617 O ARG A 45 -11.698 8.409 -1.223 1.00 0.00 O ATOM 618 CB ARG A 45 -10.118 10.558 0.815 1.00 0.00 C ATOM 619 CG ARG A 45 -10.449 11.393 2.041 1.00 0.00 C ATOM 620 CD ARG A 45 -10.317 12.880 1.755 1.00 0.00 C ATOM 621 NE ARG A 45 -11.526 13.431 1.149 1.00 0.00 N ATOM 622 CZ ARG A 45 -12.597 13.795 1.846 1.00 0.00 C ATOM 623 NH1 ARG A 45 -12.608 13.666 3.165 1.00 0.00 N ATOM 624 NH2 ARG A 45 -13.659 14.288 1.222 1.00 0.00 N ATOM 0 H ARG A 45 -9.468 8.836 2.488 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.771 9.228 1.151 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.035 10.472 0.726 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.470 11.080 -0.075 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -11.465 11.173 2.368 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.784 11.119 2.860 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.103 13.410 2.683 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.470 13.047 1.090 1.00 0.00 H new ATOM 0 HE ARG A 45 -11.550 13.543 0.135 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.793 13.287 3.647 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -13.431 13.946 3.698 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -13.653 14.388 0.207 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -14.481 14.567 1.757 1.00 0.00 H new ATOM 638 N HIS A 46 -9.476 8.155 -0.976 1.00 0.00 N ATOM 639 CA HIS A 46 -9.289 7.549 -2.290 1.00 0.00 C ATOM 640 C HIS A 46 -10.073 6.245 -2.403 1.00 0.00 C ATOM 641 O HIS A 46 -10.712 5.980 -3.421 1.00 0.00 O ATOM 642 CB HIS A 46 -7.804 7.290 -2.549 1.00 0.00 C ATOM 643 CG HIS A 46 -7.461 7.176 -4.002 1.00 0.00 C ATOM 644 ND1 HIS A 46 -7.580 6.001 -4.714 1.00 0.00 N ATOM 645 CD2 HIS A 46 -7.001 8.099 -4.878 1.00 0.00 C ATOM 646 CE1 HIS A 46 -7.206 6.206 -5.964 1.00 0.00 C ATOM 647 NE2 HIS A 46 -6.851 7.472 -6.090 1.00 0.00 N ATOM 0 H HIS A 46 -8.619 8.254 -0.431 1.00 0.00 H new ATOM 0 HA HIS A 46 -9.665 8.244 -3.041 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.220 8.098 -2.109 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.510 6.371 -2.041 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.791 9.136 -4.664 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.193 5.465 -6.749 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.519 7.912 -6.948 1.00 0.00 H new ATOM 655 N GLY A 47 -10.018 5.433 -1.352 1.00 0.00 N ATOM 656 CA GLY A 47 -10.726 4.167 -1.354 1.00 0.00 C ATOM 657 C GLY A 47 -9.905 3.045 -1.960 1.00 0.00 C ATOM 658 O GLY A 47 -9.859 1.940 -1.421 1.00 0.00 O ATOM 0 H GLY A 47 -9.495 5.630 -0.499 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.997 3.904 -0.331 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.656 4.275 -1.912 1.00 0.00 H new ATOM 662 N GLY A 48 -9.256 3.329 -3.085 1.00 0.00 N ATOM 663 CA GLY A 48 -8.444 2.325 -3.746 1.00 0.00 C ATOM 664 C GLY A 48 -7.763 1.391 -2.765 1.00 0.00 C ATOM 665 O GLY A 48 -7.620 0.197 -3.030 1.00 0.00 O ATOM 0 H GLY A 48 -9.278 4.236 -3.550 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.071 1.743 -4.422 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.688 2.818 -4.357 1.00 0.00 H new ATOM 669 N LEU A 49 -7.341 1.936 -1.629 1.00 0.00 N ATOM 670 CA LEU A 49 -6.669 1.144 -0.605 1.00 0.00 C ATOM 671 C LEU A 49 -7.635 0.769 0.514 1.00 0.00 C ATOM 672 O LEU A 49 -8.363 1.617 1.031 1.00 0.00 O ATOM 673 CB LEU A 49 -5.481 1.918 -0.031 1.00 0.00 C ATOM 674 CG LEU A 49 -4.143 1.720 -0.743 1.00 0.00 C ATOM 675 CD1 LEU A 49 -3.121 2.734 -0.252 1.00 0.00 C ATOM 676 CD2 LEU A 49 -3.632 0.302 -0.533 1.00 0.00 C ATOM 0 H LEU A 49 -7.452 2.922 -1.394 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.306 0.227 -1.070 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.724 2.980 -0.046 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.359 1.634 1.014 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.295 1.876 -1.811 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.175 2.577 -0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.483 3.742 -0.454 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.972 2.610 0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.679 0.179 -1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.496 0.118 0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.355 -0.408 -0.934 1.00 0.00 H new ATOM 688 N LYS A 50 -7.635 -0.507 0.886 1.00 0.00 N ATOM 689 CA LYS A 50 -8.509 -0.995 1.946 1.00 0.00 C ATOM 690 C LYS A 50 -7.821 -2.089 2.757 1.00 0.00 C ATOM 691 O LYS A 50 -6.865 -2.710 2.294 1.00 0.00 O ATOM 692 CB LYS A 50 -9.815 -1.530 1.354 1.00 0.00 C ATOM 693 CG LYS A 50 -10.611 -0.484 0.592 1.00 0.00 C ATOM 694 CD LYS A 50 -11.661 -1.123 -0.301 1.00 0.00 C ATOM 695 CE LYS A 50 -12.786 -0.151 -0.621 1.00 0.00 C ATOM 696 NZ LYS A 50 -13.962 -0.842 -1.219 1.00 0.00 N ATOM 0 H LYS A 50 -7.039 -1.222 0.469 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.734 -0.160 2.610 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.588 -2.360 0.685 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.432 -1.929 2.159 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.095 0.192 1.298 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.935 0.119 -0.014 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.196 -1.461 -1.227 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.070 -2.006 0.191 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.092 0.364 0.290 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -12.423 0.611 -1.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.707 -0.146 -1.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.677 -1.312 -2.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.325 -1.551 -0.551 1.00 0.00 H new ATOM 710 N ARG A 51 -8.315 -2.320 3.969 1.00 0.00 N ATOM 711 CA ARG A 51 -7.748 -3.338 4.844 1.00 0.00 C ATOM 712 C ARG A 51 -7.824 -4.717 4.194 1.00 0.00 C ATOM 713 O ARG A 51 -8.899 -5.173 3.807 1.00 0.00 O ATOM 714 CB ARG A 51 -8.482 -3.354 6.186 1.00 0.00 C ATOM 715 CG ARG A 51 -8.153 -4.564 7.046 1.00 0.00 C ATOM 716 CD ARG A 51 -9.214 -4.797 8.110 1.00 0.00 C ATOM 717 NE ARG A 51 -10.303 -5.639 7.622 1.00 0.00 N ATOM 718 CZ ARG A 51 -10.266 -6.967 7.632 1.00 0.00 C ATOM 719 NH1 ARG A 51 -9.200 -7.600 8.104 1.00 0.00 N ATOM 720 NH2 ARG A 51 -11.296 -7.664 7.171 1.00 0.00 N ATOM 0 H ARG A 51 -9.107 -1.815 4.367 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.700 -3.092 5.014 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.232 -2.448 6.738 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.556 -3.330 6.003 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -8.069 -5.448 6.415 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.184 -4.420 7.523 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.757 -5.265 8.982 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.616 -3.838 8.437 1.00 0.00 H new ATOM 0 HE ARG A 51 -11.137 -5.183 7.253 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.407 -7.067 8.460 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.174 -8.620 8.111 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -12.118 -7.180 6.808 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.266 -8.684 7.179 1.00 0.00 H new ATOM 734 N GLY A 52 -6.675 -5.375 4.077 1.00 0.00 N ATOM 735 CA GLY A 52 -6.633 -6.694 3.473 1.00 0.00 C ATOM 736 C GLY A 52 -5.861 -6.710 2.169 1.00 0.00 C ATOM 737 O GLY A 52 -5.234 -7.712 1.823 1.00 0.00 O ATOM 0 H GLY A 52 -5.772 -5.018 4.390 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.176 -7.395 4.171 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.651 -7.041 3.293 1.00 0.00 H new ATOM 741 N ASP A 53 -5.906 -5.599 1.443 1.00 0.00 N ATOM 742 CA ASP A 53 -5.205 -5.489 0.169 1.00 0.00 C ATOM 743 C ASP A 53 -3.715 -5.764 0.342 1.00 0.00 C ATOM 744 O ASP A 53 -3.035 -5.086 1.112 1.00 0.00 O ATOM 745 CB ASP A 53 -5.413 -4.099 -0.434 1.00 0.00 C ATOM 746 CG ASP A 53 -6.874 -3.798 -0.707 1.00 0.00 C ATOM 747 OD1 ASP A 53 -7.734 -4.317 0.034 1.00 0.00 O ATOM 748 OD2 ASP A 53 -7.157 -3.046 -1.663 1.00 0.00 O ATOM 0 H ASP A 53 -6.421 -4.761 1.715 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.617 -6.236 -0.509 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.011 -3.348 0.246 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.849 -4.022 -1.364 1.00 0.00 H new ATOM 753 N GLN A 54 -3.215 -6.763 -0.378 1.00 0.00 N ATOM 754 CA GLN A 54 -1.806 -7.129 -0.301 1.00 0.00 C ATOM 755 C GLN A 54 -0.972 -6.289 -1.264 1.00 0.00 C ATOM 756 O GLN A 54 -1.225 -6.274 -2.469 1.00 0.00 O ATOM 757 CB GLN A 54 -1.625 -8.615 -0.614 1.00 0.00 C ATOM 758 CG GLN A 54 -0.324 -9.195 -0.082 1.00 0.00 C ATOM 759 CD GLN A 54 -0.185 -10.677 -0.369 1.00 0.00 C ATOM 760 OE1 GLN A 54 -1.117 -11.452 -0.154 1.00 0.00 O ATOM 761 NE2 GLN A 54 0.983 -11.079 -0.857 1.00 0.00 N ATOM 0 H GLN A 54 -3.765 -7.333 -1.021 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.461 -6.935 0.715 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.461 -9.171 -0.190 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.662 -8.757 -1.694 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.516 -8.662 -0.528 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.271 -9.031 0.994 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.728 -10.402 -1.020 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.135 -12.065 -1.069 1.00 0.00 H new ATOM 770 N LEU A 55 0.021 -5.591 -0.724 1.00 0.00 N ATOM 771 CA LEU A 55 0.892 -4.748 -1.536 1.00 0.00 C ATOM 772 C LEU A 55 1.700 -5.588 -2.520 1.00 0.00 C ATOM 773 O LEU A 55 2.531 -6.405 -2.120 1.00 0.00 O ATOM 774 CB LEU A 55 1.836 -3.944 -0.639 1.00 0.00 C ATOM 775 CG LEU A 55 2.583 -2.793 -1.313 1.00 0.00 C ATOM 776 CD1 LEU A 55 1.662 -1.597 -1.502 1.00 0.00 C ATOM 777 CD2 LEU A 55 3.807 -2.402 -0.498 1.00 0.00 C ATOM 0 H LEU A 55 0.243 -5.592 0.272 1.00 0.00 H new ATOM 0 HA LEU A 55 0.265 -4.060 -2.103 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.258 -3.539 0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.570 -4.628 -0.213 1.00 0.00 H new ATOM 0 HG LEU A 55 2.917 -3.127 -2.295 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.211 -0.787 -1.983 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.817 -1.884 -2.127 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.298 -1.261 -0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.327 -1.581 -0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.496 -2.087 0.498 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.477 -3.258 -0.414 1.00 0.00 H new ATOM 789 N LEU A 56 1.453 -5.381 -3.808 1.00 0.00 N ATOM 790 CA LEU A 56 2.160 -6.117 -4.851 1.00 0.00 C ATOM 791 C LEU A 56 3.443 -5.397 -5.252 1.00 0.00 C ATOM 792 O LEU A 56 4.498 -6.016 -5.387 1.00 0.00 O ATOM 793 CB LEU A 56 1.259 -6.297 -6.075 1.00 0.00 C ATOM 794 CG LEU A 56 -0.036 -7.077 -5.845 1.00 0.00 C ATOM 795 CD1 LEU A 56 -0.941 -6.978 -7.063 1.00 0.00 C ATOM 796 CD2 LEU A 56 0.267 -8.532 -5.521 1.00 0.00 C ATOM 0 H LEU A 56 0.769 -4.710 -4.156 1.00 0.00 H new ATOM 0 HA LEU A 56 2.425 -7.097 -4.454 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.002 -5.310 -6.461 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.832 -6.803 -6.852 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.556 -6.637 -4.994 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.858 -7.539 -6.882 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.186 -5.933 -7.250 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.429 -7.392 -7.932 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.667 -9.071 -5.361 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.809 -8.984 -6.351 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.876 -8.585 -4.619 1.00 0.00 H new ATOM 808 N SER A 57 3.346 -4.084 -5.439 1.00 0.00 N ATOM 809 CA SER A 57 4.499 -3.280 -5.826 1.00 0.00 C ATOM 810 C SER A 57 4.278 -1.811 -5.476 1.00 0.00 C ATOM 811 O SER A 57 3.142 -1.342 -5.404 1.00 0.00 O ATOM 812 CB SER A 57 4.768 -3.424 -7.325 1.00 0.00 C ATOM 813 OG SER A 57 3.587 -3.207 -8.078 1.00 0.00 O ATOM 0 H SER A 57 2.481 -3.555 -5.329 1.00 0.00 H new ATOM 0 HA SER A 57 5.366 -3.642 -5.273 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.534 -2.711 -7.630 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.158 -4.420 -7.534 1.00 0.00 H new ATOM 0 HG SER A 57 3.786 -3.303 -9.033 1.00 0.00 H new ATOM 819 N VAL A 58 5.373 -1.090 -5.259 1.00 0.00 N ATOM 820 CA VAL A 58 5.301 0.326 -4.918 1.00 0.00 C ATOM 821 C VAL A 58 6.183 1.159 -5.840 1.00 0.00 C ATOM 822 O VAL A 58 7.313 0.780 -6.145 1.00 0.00 O ATOM 823 CB VAL A 58 5.726 0.574 -3.458 1.00 0.00 C ATOM 824 CG1 VAL A 58 5.753 2.064 -3.155 1.00 0.00 C ATOM 825 CG2 VAL A 58 4.795 -0.157 -2.501 1.00 0.00 C ATOM 0 H VAL A 58 6.321 -1.463 -5.313 1.00 0.00 H new ATOM 0 HA VAL A 58 4.261 0.629 -5.043 1.00 0.00 H new ATOM 0 HB VAL A 58 6.733 0.182 -3.319 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.055 2.219 -2.119 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.463 2.557 -3.818 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.760 2.485 -3.310 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.110 0.029 -1.474 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.776 0.203 -2.639 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.832 -1.227 -2.704 1.00 0.00 H new ATOM 835 N ASN A 59 5.659 2.298 -6.282 1.00 0.00 N ATOM 836 CA ASN A 59 6.399 3.186 -7.171 1.00 0.00 C ATOM 837 C ASN A 59 6.934 2.424 -8.380 1.00 0.00 C ATOM 838 O ASN A 59 7.993 2.750 -8.914 1.00 0.00 O ATOM 839 CB ASN A 59 7.556 3.847 -6.418 1.00 0.00 C ATOM 840 CG ASN A 59 7.099 5.016 -5.568 1.00 0.00 C ATOM 841 OD1 ASN A 59 6.605 6.018 -6.084 1.00 0.00 O ATOM 842 ND2 ASN A 59 7.262 4.892 -4.256 1.00 0.00 N ATOM 0 H ASN A 59 4.725 2.627 -6.039 1.00 0.00 H new ATOM 0 HA ASN A 59 5.715 3.958 -7.524 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.042 3.107 -5.782 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.302 4.192 -7.134 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.973 5.646 -3.633 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.676 4.043 -3.872 1.00 0.00 H new ATOM 849 N GLY A 60 6.192 1.406 -8.807 1.00 0.00 N ATOM 850 CA GLY A 60 6.607 0.614 -9.949 1.00 0.00 C ATOM 851 C GLY A 60 7.754 -0.320 -9.621 1.00 0.00 C ATOM 852 O GLY A 60 8.537 -0.687 -10.499 1.00 0.00 O ATOM 0 H GLY A 60 5.311 1.116 -8.382 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.760 0.031 -10.310 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.905 1.279 -10.760 1.00 0.00 H new ATOM 856 N VAL A 61 7.858 -0.706 -8.353 1.00 0.00 N ATOM 857 CA VAL A 61 8.919 -1.603 -7.911 1.00 0.00 C ATOM 858 C VAL A 61 8.349 -2.792 -7.146 1.00 0.00 C ATOM 859 O VAL A 61 7.656 -2.624 -6.143 1.00 0.00 O ATOM 860 CB VAL A 61 9.936 -0.870 -7.016 1.00 0.00 C ATOM 861 CG1 VAL A 61 11.019 -1.828 -6.544 1.00 0.00 C ATOM 862 CG2 VAL A 61 10.543 0.311 -7.757 1.00 0.00 C ATOM 0 H VAL A 61 7.220 -0.411 -7.614 1.00 0.00 H new ATOM 0 HA VAL A 61 9.426 -1.961 -8.807 1.00 0.00 H new ATOM 0 HB VAL A 61 9.414 -0.489 -6.138 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.729 -1.293 -5.913 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.565 -2.638 -5.973 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.541 -2.241 -7.407 1.00 0.00 H new ATOM 0 HG21 VAL A 61 11.259 0.817 -7.110 1.00 0.00 H new ATOM 0 HG22 VAL A 61 11.052 -0.044 -8.653 1.00 0.00 H new ATOM 0 HG23 VAL A 61 9.754 1.008 -8.040 1.00 0.00 H new ATOM 872 N SER A 62 8.648 -3.995 -7.627 1.00 0.00 N ATOM 873 CA SER A 62 8.163 -5.215 -6.990 1.00 0.00 C ATOM 874 C SER A 62 8.604 -5.278 -5.531 1.00 0.00 C ATOM 875 O SER A 62 9.795 -5.371 -5.234 1.00 0.00 O ATOM 876 CB SER A 62 8.673 -6.445 -7.742 1.00 0.00 C ATOM 877 OG SER A 62 8.413 -6.338 -9.131 1.00 0.00 O ATOM 0 H SER A 62 9.223 -4.151 -8.455 1.00 0.00 H new ATOM 0 HA SER A 62 7.074 -5.204 -7.022 1.00 0.00 H new ATOM 0 HB2 SER A 62 9.745 -6.557 -7.577 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.194 -7.341 -7.347 1.00 0.00 H new ATOM 0 HG SER A 62 8.750 -7.136 -9.589 1.00 0.00 H new ATOM 883 N VAL A 63 7.634 -5.226 -4.623 1.00 0.00 N ATOM 884 CA VAL A 63 7.920 -5.279 -3.195 1.00 0.00 C ATOM 885 C VAL A 63 7.597 -6.653 -2.619 1.00 0.00 C ATOM 886 O VAL A 63 8.075 -7.015 -1.545 1.00 0.00 O ATOM 887 CB VAL A 63 7.122 -4.211 -2.423 1.00 0.00 C ATOM 888 CG1 VAL A 63 7.538 -2.815 -2.858 1.00 0.00 C ATOM 889 CG2 VAL A 63 5.628 -4.417 -2.620 1.00 0.00 C ATOM 0 H VAL A 63 6.643 -5.147 -4.852 1.00 0.00 H new ATOM 0 HA VAL A 63 8.986 -5.081 -3.079 1.00 0.00 H new ATOM 0 HB VAL A 63 7.343 -4.315 -1.361 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.964 -2.074 -2.302 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.600 -2.674 -2.660 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.349 -2.695 -3.925 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.080 -3.654 -2.068 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.387 -4.341 -3.680 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.345 -5.404 -2.253 1.00 0.00 H new ATOM 899 N GLU A 64 6.784 -7.416 -3.343 1.00 0.00 N ATOM 900 CA GLU A 64 6.397 -8.751 -2.904 1.00 0.00 C ATOM 901 C GLU A 64 7.628 -9.608 -2.622 1.00 0.00 C ATOM 902 O GLU A 64 7.619 -10.448 -1.723 1.00 0.00 O ATOM 903 CB GLU A 64 5.523 -9.427 -3.962 1.00 0.00 C ATOM 904 CG GLU A 64 4.080 -8.952 -3.954 1.00 0.00 C ATOM 905 CD GLU A 64 3.204 -9.764 -3.020 1.00 0.00 C ATOM 906 OE1 GLU A 64 3.544 -10.937 -2.759 1.00 0.00 O ATOM 907 OE2 GLU A 64 2.178 -9.228 -2.552 1.00 0.00 O ATOM 0 H GLU A 64 6.381 -7.132 -4.236 1.00 0.00 H new ATOM 0 HA GLU A 64 5.825 -8.651 -1.981 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.952 -9.243 -4.947 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.543 -10.505 -3.802 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.048 -7.904 -3.657 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.677 -9.009 -4.965 1.00 0.00 H new ATOM 914 N GLY A 65 8.685 -9.390 -3.398 1.00 0.00 N ATOM 915 CA GLY A 65 9.908 -10.150 -3.216 1.00 0.00 C ATOM 916 C GLY A 65 10.999 -9.340 -2.545 1.00 0.00 C ATOM 917 O GLY A 65 12.159 -9.394 -2.952 1.00 0.00 O ATOM 0 H GLY A 65 8.716 -8.701 -4.149 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.696 -11.035 -2.617 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.263 -10.499 -4.186 1.00 0.00 H new ATOM 921 N GLU A 66 10.627 -8.587 -1.515 1.00 0.00 N ATOM 922 CA GLU A 66 11.583 -7.761 -0.788 1.00 0.00 C ATOM 923 C GLU A 66 11.200 -7.652 0.685 1.00 0.00 C ATOM 924 O GLU A 66 10.095 -8.027 1.078 1.00 0.00 O ATOM 925 CB GLU A 66 11.661 -6.365 -1.410 1.00 0.00 C ATOM 926 CG GLU A 66 12.042 -6.374 -2.881 1.00 0.00 C ATOM 927 CD GLU A 66 13.501 -6.722 -3.105 1.00 0.00 C ATOM 928 OE1 GLU A 66 13.968 -7.724 -2.524 1.00 0.00 O ATOM 929 OE2 GLU A 66 14.175 -5.992 -3.861 1.00 0.00 O ATOM 0 H GLU A 66 9.670 -8.532 -1.165 1.00 0.00 H new ATOM 0 HA GLU A 66 12.561 -8.237 -0.857 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.696 -5.872 -1.296 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.390 -5.771 -0.858 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.416 -7.093 -3.410 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.836 -5.394 -3.312 1.00 0.00 H new ATOM 936 N GLN A 67 12.121 -7.139 1.494 1.00 0.00 N ATOM 937 CA GLN A 67 11.880 -6.982 2.923 1.00 0.00 C ATOM 938 C GLN A 67 10.888 -5.855 3.188 1.00 0.00 C ATOM 939 O GLN A 67 10.752 -4.932 2.384 1.00 0.00 O ATOM 940 CB GLN A 67 13.194 -6.705 3.656 1.00 0.00 C ATOM 941 CG GLN A 67 13.215 -7.223 5.085 1.00 0.00 C ATOM 942 CD GLN A 67 14.208 -6.483 5.960 1.00 0.00 C ATOM 943 OE1 GLN A 67 14.367 -5.267 5.846 1.00 0.00 O ATOM 944 NE2 GLN A 67 14.881 -7.214 6.840 1.00 0.00 N ATOM 0 H GLN A 67 13.041 -6.825 1.184 1.00 0.00 H new ATOM 0 HA GLN A 67 11.452 -7.912 3.298 1.00 0.00 H new ATOM 0 HB2 GLN A 67 14.013 -7.162 3.101 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.376 -5.630 3.665 1.00 0.00 H new ATOM 0 HG2 GLN A 67 12.218 -7.131 5.516 1.00 0.00 H new ATOM 0 HG3 GLN A 67 13.462 -8.285 5.079 1.00 0.00 H new ATOM 0 HE21 GLN A 67 14.717 -8.219 6.900 1.00 0.00 H new ATOM 0 HE22 GLN A 67 15.562 -6.771 7.456 1.00 0.00 H new ATOM 953 N HIS A 68 10.197 -5.935 4.321 1.00 0.00 N ATOM 954 CA HIS A 68 9.217 -4.920 4.692 1.00 0.00 C ATOM 955 C HIS A 68 9.853 -3.533 4.713 1.00 0.00 C ATOM 956 O HIS A 68 9.335 -2.594 4.110 1.00 0.00 O ATOM 957 CB HIS A 68 8.615 -5.239 6.060 1.00 0.00 C ATOM 958 CG HIS A 68 7.629 -4.216 6.534 1.00 0.00 C ATOM 959 ND1 HIS A 68 6.391 -4.544 7.046 1.00 0.00 N ATOM 960 CD2 HIS A 68 7.705 -2.865 6.573 1.00 0.00 C ATOM 961 CE1 HIS A 68 5.747 -3.439 7.377 1.00 0.00 C ATOM 962 NE2 HIS A 68 6.523 -2.406 7.101 1.00 0.00 N ATOM 0 H HIS A 68 10.297 -6.692 4.998 1.00 0.00 H new ATOM 0 HA HIS A 68 8.424 -4.925 3.944 1.00 0.00 H new ATOM 0 HB2 HIS A 68 8.124 -6.211 6.014 1.00 0.00 H new ATOM 0 HB3 HIS A 68 9.419 -5.323 6.791 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.540 -2.261 6.249 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.755 -3.389 7.801 1.00 0.00 H new ATOM 0 HE2 HIS A 68 6.283 -1.427 7.255 1.00 0.00 H new ATOM 970 N GLU A 69 10.977 -3.413 5.413 1.00 0.00 N ATOM 971 CA GLU A 69 11.681 -2.141 5.514 1.00 0.00 C ATOM 972 C GLU A 69 11.725 -1.435 4.161 1.00 0.00 C ATOM 973 O GLU A 69 11.274 -0.297 4.027 1.00 0.00 O ATOM 974 CB GLU A 69 13.103 -2.359 6.034 1.00 0.00 C ATOM 975 CG GLU A 69 13.184 -2.502 7.544 1.00 0.00 C ATOM 976 CD GLU A 69 14.411 -3.272 7.993 1.00 0.00 C ATOM 977 OE1 GLU A 69 15.396 -3.314 7.227 1.00 0.00 O ATOM 978 OE2 GLU A 69 14.386 -3.832 9.108 1.00 0.00 O ATOM 0 H GLU A 69 11.419 -4.181 5.918 1.00 0.00 H new ATOM 0 HA GLU A 69 11.138 -1.509 6.217 1.00 0.00 H new ATOM 0 HB2 GLU A 69 13.517 -3.254 5.570 1.00 0.00 H new ATOM 0 HB3 GLU A 69 13.727 -1.521 5.723 1.00 0.00 H new ATOM 0 HG2 GLU A 69 13.195 -1.511 7.999 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.289 -3.009 7.906 1.00 0.00 H new ATOM 985 N LYS A 70 12.271 -2.118 3.161 1.00 0.00 N ATOM 986 CA LYS A 70 12.374 -1.559 1.819 1.00 0.00 C ATOM 987 C LYS A 70 11.107 -0.796 1.448 1.00 0.00 C ATOM 988 O LYS A 70 11.153 0.398 1.155 1.00 0.00 O ATOM 989 CB LYS A 70 12.629 -2.671 0.799 1.00 0.00 C ATOM 990 CG LYS A 70 12.608 -2.192 -0.642 1.00 0.00 C ATOM 991 CD LYS A 70 13.528 -3.024 -1.520 1.00 0.00 C ATOM 992 CE LYS A 70 13.383 -2.653 -2.988 1.00 0.00 C ATOM 993 NZ LYS A 70 14.513 -3.173 -3.806 1.00 0.00 N ATOM 0 H LYS A 70 12.649 -3.061 3.255 1.00 0.00 H new ATOM 0 HA LYS A 70 13.213 -0.863 1.806 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.596 -3.128 1.007 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.875 -3.448 0.926 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.590 -2.243 -1.029 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.912 -1.146 -0.683 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.562 -2.878 -1.207 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.301 -4.082 -1.387 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.444 -3.051 -3.372 1.00 0.00 H new ATOM 0 HE3 LYS A 70 13.333 -1.568 -3.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.460 -2.774 -4.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.415 -2.899 -3.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.455 -4.210 -3.859 1.00 0.00 H new ATOM 1007 N ALA A 71 9.975 -1.494 1.464 1.00 0.00 N ATOM 1008 CA ALA A 71 8.695 -0.881 1.133 1.00 0.00 C ATOM 1009 C ALA A 71 8.583 0.515 1.737 1.00 0.00 C ATOM 1010 O ALA A 71 8.401 1.500 1.020 1.00 0.00 O ATOM 1011 CB ALA A 71 7.549 -1.759 1.613 1.00 0.00 C ATOM 0 H ALA A 71 9.919 -2.484 1.703 1.00 0.00 H new ATOM 0 HA ALA A 71 8.635 -0.786 0.049 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.599 -1.289 1.359 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.611 -2.734 1.131 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.614 -1.884 2.694 1.00 0.00 H new ATOM 1017 N VAL A 72 8.691 0.594 3.059 1.00 0.00 N ATOM 1018 CA VAL A 72 8.601 1.870 3.759 1.00 0.00 C ATOM 1019 C VAL A 72 9.594 2.878 3.192 1.00 0.00 C ATOM 1020 O VAL A 72 9.262 4.047 2.994 1.00 0.00 O ATOM 1021 CB VAL A 72 8.862 1.702 5.268 1.00 0.00 C ATOM 1022 CG1 VAL A 72 8.798 3.048 5.974 1.00 0.00 C ATOM 1023 CG2 VAL A 72 7.867 0.725 5.874 1.00 0.00 C ATOM 0 H VAL A 72 8.841 -0.211 3.667 1.00 0.00 H new ATOM 0 HA VAL A 72 7.587 2.241 3.612 1.00 0.00 H new ATOM 0 HB VAL A 72 9.864 1.295 5.403 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.985 2.910 7.039 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.553 3.714 5.557 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.810 3.486 5.833 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.066 0.618 6.940 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.854 1.101 5.729 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.967 -0.245 5.387 1.00 0.00 H new ATOM 1033 N GLU A 73 10.814 2.418 2.932 1.00 0.00 N ATOM 1034 CA GLU A 73 11.855 3.281 2.387 1.00 0.00 C ATOM 1035 C GLU A 73 11.430 3.867 1.044 1.00 0.00 C ATOM 1036 O GLU A 73 11.413 5.085 0.862 1.00 0.00 O ATOM 1037 CB GLU A 73 13.162 2.501 2.226 1.00 0.00 C ATOM 1038 CG GLU A 73 13.626 1.820 3.502 1.00 0.00 C ATOM 1039 CD GLU A 73 15.135 1.692 3.579 1.00 0.00 C ATOM 1040 OE1 GLU A 73 15.825 2.728 3.473 1.00 0.00 O ATOM 1041 OE2 GLU A 73 15.626 0.556 3.745 1.00 0.00 O ATOM 0 H GLU A 73 11.105 1.453 3.090 1.00 0.00 H new ATOM 0 HA GLU A 73 12.014 4.102 3.087 1.00 0.00 H new ATOM 0 HB2 GLU A 73 13.032 1.748 1.449 1.00 0.00 H new ATOM 0 HB3 GLU A 73 13.941 3.182 1.883 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.269 2.386 4.362 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.177 0.829 3.564 1.00 0.00 H new ATOM 1048 N LEU A 74 11.087 2.991 0.106 1.00 0.00 N ATOM 1049 CA LEU A 74 10.661 3.419 -1.222 1.00 0.00 C ATOM 1050 C LEU A 74 9.750 4.639 -1.134 1.00 0.00 C ATOM 1051 O LEU A 74 10.017 5.673 -1.749 1.00 0.00 O ATOM 1052 CB LEU A 74 9.938 2.279 -1.940 1.00 0.00 C ATOM 1053 CG LEU A 74 10.691 0.950 -2.017 1.00 0.00 C ATOM 1054 CD1 LEU A 74 9.766 -0.161 -2.489 1.00 0.00 C ATOM 1055 CD2 LEU A 74 11.895 1.072 -2.940 1.00 0.00 C ATOM 0 H LEU A 74 11.096 1.980 0.240 1.00 0.00 H new ATOM 0 HA LEU A 74 11.550 3.692 -1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.986 2.106 -1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 74 9.709 2.603 -2.955 1.00 0.00 H new ATOM 0 HG LEU A 74 11.048 0.698 -1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 74 10.319 -1.099 -2.538 1.00 0.00 H new ATOM 0 HD12 LEU A 74 8.936 -0.265 -1.790 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.379 0.084 -3.478 1.00 0.00 H new ATOM 0 HD21 LEU A 74 12.419 0.117 -2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 74 11.560 1.347 -3.940 1.00 0.00 H new ATOM 0 HD23 LEU A 74 12.569 1.839 -2.559 1.00 0.00 H new ATOM 1067 N LEU A 75 8.674 4.513 -0.366 1.00 0.00 N ATOM 1068 CA LEU A 75 7.723 5.606 -0.195 1.00 0.00 C ATOM 1069 C LEU A 75 8.445 6.913 0.115 1.00 0.00 C ATOM 1070 O LEU A 75 8.313 7.896 -0.613 1.00 0.00 O ATOM 1071 CB LEU A 75 6.734 5.278 0.925 1.00 0.00 C ATOM 1072 CG LEU A 75 5.680 4.218 0.601 1.00 0.00 C ATOM 1073 CD1 LEU A 75 5.278 3.463 1.858 1.00 0.00 C ATOM 1074 CD2 LEU A 75 4.463 4.859 -0.051 1.00 0.00 C ATOM 0 H LEU A 75 8.438 3.665 0.149 1.00 0.00 H new ATOM 0 HA LEU A 75 7.176 5.728 -1.130 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.299 4.945 1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.221 6.197 1.210 1.00 0.00 H new ATOM 0 HG LEU A 75 6.112 3.506 -0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.527 2.713 1.608 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.153 2.972 2.283 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.864 4.162 2.585 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.723 4.091 -0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.030 5.593 0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.763 5.354 -0.975 1.00 0.00 H new ATOM 1086 N LYS A 76 9.211 6.916 1.201 1.00 0.00 N ATOM 1087 CA LYS A 76 9.959 8.100 1.608 1.00 0.00 C ATOM 1088 C LYS A 76 10.885 8.569 0.490 1.00 0.00 C ATOM 1089 O LYS A 76 11.068 9.768 0.286 1.00 0.00 O ATOM 1090 CB LYS A 76 10.773 7.806 2.869 1.00 0.00 C ATOM 1091 CG LYS A 76 9.918 7.503 4.088 1.00 0.00 C ATOM 1092 CD LYS A 76 10.659 6.628 5.085 1.00 0.00 C ATOM 1093 CE LYS A 76 11.521 7.458 6.023 1.00 0.00 C ATOM 1094 NZ LYS A 76 12.675 8.077 5.314 1.00 0.00 N ATOM 0 H LYS A 76 9.330 6.111 1.816 1.00 0.00 H new ATOM 0 HA LYS A 76 9.244 8.895 1.822 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.431 6.958 2.677 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.411 8.662 3.087 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.625 8.436 4.569 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.001 7.004 3.775 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.941 6.049 5.666 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.285 5.915 4.549 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.913 8.240 6.479 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.888 6.827 6.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.482 8.153 5.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.940 7.486 4.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.409 9.025 4.980 1.00 0.00 H new ATOM 1108 N ALA A 77 11.464 7.615 -0.232 1.00 0.00 N ATOM 1109 CA ALA A 77 12.368 7.931 -1.331 1.00 0.00 C ATOM 1110 C ALA A 77 11.624 8.612 -2.475 1.00 0.00 C ATOM 1111 O ALA A 77 12.143 9.534 -3.103 1.00 0.00 O ATOM 1112 CB ALA A 77 13.059 6.670 -1.825 1.00 0.00 C ATOM 0 H ALA A 77 11.323 6.617 -0.075 1.00 0.00 H new ATOM 0 HA ALA A 77 13.123 8.624 -0.960 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.731 6.921 -2.646 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.631 6.226 -1.010 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.311 5.958 -2.173 1.00 0.00 H new ATOM 1118 N ALA A 78 10.406 8.151 -2.740 1.00 0.00 N ATOM 1119 CA ALA A 78 9.591 8.716 -3.808 1.00 0.00 C ATOM 1120 C ALA A 78 9.356 10.207 -3.588 1.00 0.00 C ATOM 1121 O ALA A 78 9.648 10.739 -2.518 1.00 0.00 O ATOM 1122 CB ALA A 78 8.264 7.979 -3.905 1.00 0.00 C ATOM 0 H ALA A 78 9.962 7.388 -2.230 1.00 0.00 H new ATOM 0 HA ALA A 78 10.131 8.594 -4.747 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.665 8.411 -4.707 1.00 0.00 H new ATOM 0 HB2 ALA A 78 8.447 6.926 -4.117 1.00 0.00 H new ATOM 0 HB3 ALA A 78 7.727 8.071 -2.961 1.00 0.00 H new ATOM 1128 N GLN A 79 8.827 10.874 -4.609 1.00 0.00 N ATOM 1129 CA GLN A 79 8.555 12.304 -4.526 1.00 0.00 C ATOM 1130 C GLN A 79 7.390 12.690 -5.432 1.00 0.00 C ATOM 1131 O GLN A 79 7.269 12.192 -6.551 1.00 0.00 O ATOM 1132 CB GLN A 79 9.800 13.105 -4.909 1.00 0.00 C ATOM 1133 CG GLN A 79 10.009 13.225 -6.410 1.00 0.00 C ATOM 1134 CD GLN A 79 11.013 14.301 -6.775 1.00 0.00 C ATOM 1135 OE1 GLN A 79 11.137 15.312 -6.082 1.00 0.00 O ATOM 1136 NE2 GLN A 79 11.736 14.090 -7.869 1.00 0.00 N ATOM 0 H GLN A 79 8.579 10.448 -5.502 1.00 0.00 H new ATOM 0 HA GLN A 79 8.284 12.537 -3.496 1.00 0.00 H new ATOM 0 HB2 GLN A 79 9.725 14.104 -4.480 1.00 0.00 H new ATOM 0 HB3 GLN A 79 10.676 12.633 -4.465 1.00 0.00 H new ATOM 0 HG2 GLN A 79 10.349 12.267 -6.803 1.00 0.00 H new ATOM 0 HG3 GLN A 79 9.055 13.446 -6.889 1.00 0.00 H new ATOM 0 HE21 GLN A 79 11.600 13.238 -8.413 1.00 0.00 H new ATOM 0 HE22 GLN A 79 12.427 14.780 -8.165 1.00 0.00 H new ATOM 1145 N GLY A 80 6.533 13.580 -4.940 1.00 0.00 N ATOM 1146 CA GLY A 80 5.389 14.016 -5.718 1.00 0.00 C ATOM 1147 C GLY A 80 4.209 13.073 -5.594 1.00 0.00 C ATOM 1148 O GLY A 80 3.164 13.441 -5.058 1.00 0.00 O ATOM 0 H GLY A 80 6.611 14.006 -4.017 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.090 15.012 -5.391 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.676 14.097 -6.766 1.00 0.00 H new ATOM 1152 N SER A 81 4.375 11.852 -6.093 1.00 0.00 N ATOM 1153 CA SER A 81 3.313 10.854 -6.040 1.00 0.00 C ATOM 1154 C SER A 81 3.894 9.443 -6.027 1.00 0.00 C ATOM 1155 O SER A 81 4.970 9.197 -6.573 1.00 0.00 O ATOM 1156 CB SER A 81 2.370 11.018 -7.233 1.00 0.00 C ATOM 1157 OG SER A 81 3.088 11.016 -8.455 1.00 0.00 O ATOM 0 H SER A 81 5.234 11.530 -6.538 1.00 0.00 H new ATOM 0 HA SER A 81 2.751 11.006 -5.118 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.639 10.210 -7.236 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.814 11.951 -7.136 1.00 0.00 H new ATOM 0 HG SER A 81 2.462 11.120 -9.202 1.00 0.00 H new ATOM 1163 N VAL A 82 3.173 8.519 -5.400 1.00 0.00 N ATOM 1164 CA VAL A 82 3.614 7.132 -5.315 1.00 0.00 C ATOM 1165 C VAL A 82 2.535 6.180 -5.819 1.00 0.00 C ATOM 1166 O VAL A 82 1.370 6.286 -5.436 1.00 0.00 O ATOM 1167 CB VAL A 82 3.989 6.749 -3.871 1.00 0.00 C ATOM 1168 CG1 VAL A 82 5.304 7.400 -3.470 1.00 0.00 C ATOM 1169 CG2 VAL A 82 2.876 7.139 -2.911 1.00 0.00 C ATOM 0 H VAL A 82 2.280 8.706 -4.943 1.00 0.00 H new ATOM 0 HA VAL A 82 4.497 7.042 -5.947 1.00 0.00 H new ATOM 0 HB VAL A 82 4.117 5.668 -3.822 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.553 7.118 -2.447 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.095 7.065 -4.141 1.00 0.00 H new ATOM 0 HG13 VAL A 82 5.208 8.484 -3.534 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.158 6.861 -1.895 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.713 8.216 -2.961 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.958 6.620 -3.188 1.00 0.00 H new ATOM 1179 N LYS A 83 2.930 5.248 -6.679 1.00 0.00 N ATOM 1180 CA LYS A 83 1.998 4.274 -7.235 1.00 0.00 C ATOM 1181 C LYS A 83 2.034 2.972 -6.441 1.00 0.00 C ATOM 1182 O LYS A 83 2.998 2.210 -6.523 1.00 0.00 O ATOM 1183 CB LYS A 83 2.331 3.999 -8.703 1.00 0.00 C ATOM 1184 CG LYS A 83 1.849 5.084 -9.650 1.00 0.00 C ATOM 1185 CD LYS A 83 2.536 4.989 -11.003 1.00 0.00 C ATOM 1186 CE LYS A 83 1.761 4.096 -11.959 1.00 0.00 C ATOM 1187 NZ LYS A 83 2.026 4.446 -13.382 1.00 0.00 N ATOM 0 H LYS A 83 3.891 5.146 -7.007 1.00 0.00 H new ATOM 0 HA LYS A 83 0.993 4.691 -7.169 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.411 3.890 -8.808 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.885 3.048 -8.996 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.770 5.000 -9.782 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.041 6.063 -9.211 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.634 5.986 -11.433 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.545 4.597 -10.874 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.032 3.055 -11.784 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.694 4.186 -11.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.480 3.815 -14.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.743 5.432 -13.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.040 4.336 -13.583 1.00 0.00 H new ATOM 1201 N LEU A 84 0.978 2.722 -5.675 1.00 0.00 N ATOM 1202 CA LEU A 84 0.887 1.511 -4.868 1.00 0.00 C ATOM 1203 C LEU A 84 -0.043 0.492 -5.517 1.00 0.00 C ATOM 1204 O LEU A 84 -1.261 0.668 -5.532 1.00 0.00 O ATOM 1205 CB LEU A 84 0.391 1.848 -3.461 1.00 0.00 C ATOM 1206 CG LEU A 84 1.165 2.938 -2.719 1.00 0.00 C ATOM 1207 CD1 LEU A 84 0.249 3.686 -1.763 1.00 0.00 C ATOM 1208 CD2 LEU A 84 2.346 2.339 -1.971 1.00 0.00 C ATOM 0 H LEU A 84 0.172 3.342 -5.596 1.00 0.00 H new ATOM 0 HA LEU A 84 1.883 1.074 -4.800 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.653 2.154 -3.529 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.418 0.939 -2.861 1.00 0.00 H new ATOM 0 HG LEU A 84 1.548 3.648 -3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.817 4.458 -1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.563 4.149 -2.324 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.165 2.988 -1.035 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.885 3.130 -1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.986 1.607 -1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.015 1.850 -2.679 1.00 0.00 H new ATOM 1220 N VAL A 85 0.539 -0.577 -6.053 1.00 0.00 N ATOM 1221 CA VAL A 85 -0.238 -1.627 -6.701 1.00 0.00 C ATOM 1222 C VAL A 85 -0.838 -2.580 -5.673 1.00 0.00 C ATOM 1223 O VAL A 85 -0.164 -3.003 -4.734 1.00 0.00 O ATOM 1224 CB VAL A 85 0.623 -2.433 -7.691 1.00 0.00 C ATOM 1225 CG1 VAL A 85 -0.178 -3.582 -8.283 1.00 0.00 C ATOM 1226 CG2 VAL A 85 1.162 -1.527 -8.788 1.00 0.00 C ATOM 0 H VAL A 85 1.546 -0.738 -6.051 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.042 -1.134 -7.248 1.00 0.00 H new ATOM 0 HB VAL A 85 1.470 -2.854 -7.150 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.447 -4.140 -8.980 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.510 -4.244 -7.483 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.046 -3.187 -8.811 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.768 -2.113 -9.479 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.330 -1.076 -9.329 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.774 -0.742 -8.344 1.00 0.00 H new ATOM 1236 N VAL A 86 -2.111 -2.915 -5.858 1.00 0.00 N ATOM 1237 CA VAL A 86 -2.803 -3.820 -4.948 1.00 0.00 C ATOM 1238 C VAL A 86 -3.601 -4.868 -5.716 1.00 0.00 C ATOM 1239 O VAL A 86 -3.685 -4.822 -6.944 1.00 0.00 O ATOM 1240 CB VAL A 86 -3.754 -3.054 -4.009 1.00 0.00 C ATOM 1241 CG1 VAL A 86 -2.976 -2.070 -3.149 1.00 0.00 C ATOM 1242 CG2 VAL A 86 -4.831 -2.339 -4.810 1.00 0.00 C ATOM 0 H VAL A 86 -2.684 -2.573 -6.630 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.037 -4.315 -4.352 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.241 -3.771 -3.348 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.664 -1.538 -2.492 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.245 -2.611 -2.548 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.460 -1.355 -3.790 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -5.494 -1.803 -4.131 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.365 -1.632 -5.496 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -5.407 -3.069 -5.378 1.00 0.00 H new ATOM 1252 N ARG A 87 -4.184 -5.813 -4.986 1.00 0.00 N ATOM 1253 CA ARG A 87 -4.975 -6.873 -5.598 1.00 0.00 C ATOM 1254 C ARG A 87 -6.467 -6.624 -5.398 1.00 0.00 C ATOM 1255 O ARG A 87 -6.950 -6.563 -4.268 1.00 0.00 O ATOM 1256 CB ARG A 87 -4.590 -8.231 -5.008 1.00 0.00 C ATOM 1257 CG ARG A 87 -3.431 -8.901 -5.728 1.00 0.00 C ATOM 1258 CD ARG A 87 -3.417 -10.402 -5.482 1.00 0.00 C ATOM 1259 NE ARG A 87 -2.139 -11.005 -5.852 1.00 0.00 N ATOM 1260 CZ ARG A 87 -1.944 -12.315 -5.945 1.00 0.00 C ATOM 1261 NH1 ARG A 87 -2.938 -13.156 -5.697 1.00 0.00 N ATOM 1262 NH2 ARG A 87 -0.752 -12.787 -6.287 1.00 0.00 N ATOM 0 H ARG A 87 -4.123 -5.866 -3.969 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.766 -6.876 -6.668 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -4.328 -8.100 -3.958 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.457 -8.891 -5.040 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.505 -8.707 -6.798 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -2.490 -8.467 -5.389 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.619 -10.599 -4.429 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.218 -10.871 -6.054 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.353 -10.386 -6.050 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.856 -12.797 -5.434 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.785 -14.162 -5.769 1.00 0.00 H new ATOM 0 HH21 ARG A 87 0.016 -12.143 -6.479 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.603 -13.794 -6.358 1.00 0.00 H new