USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 598 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 13 TYR OH : rot 163:sc= 0.127 USER MOD Set 1.2: A 34 THR OG1 : rot 63:sc= 1.63 USER MOD Single : A 1 LYS N :NH3+ -159:sc= -2.22! (180deg=-2.67!) USER MOD Single : A 1 LYS NZ :NH3+ -159:sc= -0.886 (180deg=-1.58) USER MOD Single : A 2 SER OG : rot 180:sc= -0.665 USER MOD Single : A 7 LYS NZ :NH3+ -173:sc= 0.543 (180deg=0.436) USER MOD Single : A 12 LYS NZ :NH3+ 170:sc= 0.823 (180deg=0.776) USER MOD Single : A 16 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0578) USER MOD Single : A 21 ASN : amide:sc= 0.743 K(o=0.74,f=-0.14) USER MOD Single : A 22 GLN : amide:sc= 0.726 K(o=0.73,f=-0.66) USER MOD Single : A 24 SER OG : rot -152:sc= 1.79 USER MOD Single : A 25 LYS NZ :NH3+ -114:sc= 1.52 (180deg=-0.985) USER MOD Single : A 29 LYS NZ :NH3+ -171:sc=-0.00721 (180deg=-0.122) USER MOD Single : A 33 GLN : amide:sc=-0.00921 K(o=-0.0092,f=-0.68) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0565 USER MOD Single : A 41 LYS NZ :NH3+ -164:sc= 0.943 (180deg=0.633) USER MOD Single : A 44 SER OG : rot 180:sc= 0.0602 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.029 USER MOD Single : A 55 LYS NZ :NH3+ 151:sc= -0.0618 (180deg=-1.18) USER MOD Single : A 56 ASN : amide:sc= -0.534 X(o=-0.53,f=-0.17) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.27 K(o=-1.3,f=-2.1) USER MOD Single : A 71 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0442) USER MOD Single : A 72 LYS NZ :NH3+ 164:sc= -0.658 (180deg=-1.39) USER MOD Single : A 74 SER OG : rot 35:sc= 1.11 USER MOD Single : A 75 GLN : amide:sc= 0.573 K(o=0.57,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -17.550 2.371 -2.324 1.00 0.00 N ATOM 2 CA LYS A 1 -17.215 1.117 -2.973 1.00 0.00 C ATOM 3 C LYS A 1 -16.239 1.430 -4.113 1.00 0.00 C ATOM 4 O LYS A 1 -16.078 2.598 -4.477 1.00 0.00 O ATOM 5 CB LYS A 1 -18.481 0.424 -3.505 1.00 0.00 C ATOM 6 CG LYS A 1 -19.289 -0.324 -2.430 1.00 0.00 C ATOM 7 CD LYS A 1 -19.919 0.515 -1.307 1.00 0.00 C ATOM 8 CE LYS A 1 -21.068 1.427 -1.764 1.00 0.00 C ATOM 9 NZ LYS A 1 -20.589 2.707 -2.313 1.00 0.00 N ATOM 0 H1 LYS A 1 -17.904 2.182 -1.365 1.00 0.00 H new ATOM 0 H2 LYS A 1 -16.702 2.970 -2.268 1.00 0.00 H new ATOM 0 H3 LYS A 1 -18.285 2.861 -2.873 1.00 0.00 H new ATOM 0 HA LYS A 1 -16.753 0.433 -2.262 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -19.123 1.172 -3.971 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -18.195 -0.281 -4.285 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -20.088 -0.872 -2.930 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -18.634 -1.064 -1.970 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -20.290 -0.157 -0.533 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -19.143 1.130 -0.850 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -21.659 0.910 -2.520 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -21.730 1.622 -0.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -21.355 3.409 -2.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -19.781 3.045 -1.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -20.292 2.572 -3.301 1.00 0.00 H new ATOM 25 N SER A 2 -15.591 0.414 -4.689 1.00 0.00 N ATOM 26 CA SER A 2 -14.661 0.561 -5.809 1.00 0.00 C ATOM 27 C SER A 2 -13.305 1.057 -5.279 1.00 0.00 C ATOM 28 O SER A 2 -13.088 0.911 -4.079 1.00 0.00 O ATOM 29 CB SER A 2 -15.319 1.296 -7.002 1.00 0.00 C ATOM 30 OG SER A 2 -16.709 1.524 -6.869 1.00 0.00 O ATOM 0 H SER A 2 -15.701 -0.553 -4.383 1.00 0.00 H new ATOM 0 HA SER A 2 -14.416 -0.394 -6.274 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.820 2.255 -7.139 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.146 0.715 -7.908 1.00 0.00 H new ATOM 0 HG SER A 2 -17.041 1.993 -7.663 1.00 0.00 H new ATOM 36 N PRO A 3 -12.367 1.611 -6.073 1.00 0.00 N ATOM 37 CA PRO A 3 -11.076 2.079 -5.565 1.00 0.00 C ATOM 38 C PRO A 3 -11.154 2.899 -4.270 1.00 0.00 C ATOM 39 O PRO A 3 -10.213 2.882 -3.483 1.00 0.00 O ATOM 40 CB PRO A 3 -10.423 2.836 -6.720 1.00 0.00 C ATOM 41 CG PRO A 3 -10.956 2.062 -7.927 1.00 0.00 C ATOM 42 CD PRO A 3 -12.403 1.789 -7.515 1.00 0.00 C ATOM 0 HA PRO A 3 -10.471 1.228 -5.254 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.717 3.885 -6.742 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.335 2.811 -6.664 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.896 2.646 -8.845 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.400 1.140 -8.099 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.054 2.618 -7.792 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.792 0.900 -8.011 1.00 0.00 H new ATOM 50 N GLU A 4 -12.271 3.595 -4.017 1.00 0.00 N ATOM 51 CA GLU A 4 -12.483 4.339 -2.781 1.00 0.00 C ATOM 52 C GLU A 4 -12.267 3.426 -1.561 1.00 0.00 C ATOM 53 O GLU A 4 -11.757 3.871 -0.538 1.00 0.00 O ATOM 54 CB GLU A 4 -13.889 4.958 -2.793 1.00 0.00 C ATOM 55 CG GLU A 4 -14.157 5.858 -1.576 1.00 0.00 C ATOM 56 CD GLU A 4 -13.146 6.996 -1.445 1.00 0.00 C ATOM 57 OE1 GLU A 4 -12.899 7.660 -2.475 1.00 0.00 O ATOM 58 OE2 GLU A 4 -12.635 7.179 -0.320 1.00 0.00 O ATOM 0 H GLU A 4 -13.052 3.654 -4.670 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.756 5.148 -2.709 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.016 5.541 -3.705 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.631 4.160 -2.819 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.160 6.277 -1.654 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.134 5.252 -0.670 1.00 0.00 H new ATOM 65 N GLU A 5 -12.630 2.143 -1.664 1.00 0.00 N ATOM 66 CA GLU A 5 -12.429 1.164 -0.602 1.00 0.00 C ATOM 67 C GLU A 5 -10.943 1.127 -0.248 1.00 0.00 C ATOM 68 O GLU A 5 -10.529 1.231 0.906 1.00 0.00 O ATOM 69 CB GLU A 5 -12.833 -0.243 -1.067 1.00 0.00 C ATOM 70 CG GLU A 5 -14.326 -0.325 -1.367 1.00 0.00 C ATOM 71 CD GLU A 5 -14.728 -1.699 -1.903 1.00 0.00 C ATOM 72 OE1 GLU A 5 -14.363 -2.694 -1.243 1.00 0.00 O ATOM 73 OE2 GLU A 5 -15.397 -1.727 -2.960 1.00 0.00 O ATOM 0 H GLU A 5 -13.075 1.756 -2.496 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.041 1.452 0.253 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.266 -0.509 -1.959 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.575 -0.970 -0.297 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.890 -0.111 -0.459 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.592 0.440 -2.096 1.00 0.00 H new ATOM 80 N LEU A 6 -10.142 0.978 -1.300 1.00 0.00 N ATOM 81 CA LEU A 6 -8.699 0.854 -1.233 1.00 0.00 C ATOM 82 C LEU A 6 -8.110 2.172 -0.743 1.00 0.00 C ATOM 83 O LEU A 6 -7.152 2.181 0.023 1.00 0.00 O ATOM 84 CB LEU A 6 -8.152 0.393 -2.590 1.00 0.00 C ATOM 85 CG LEU A 6 -8.766 -0.949 -3.042 1.00 0.00 C ATOM 86 CD1 LEU A 6 -8.288 -1.300 -4.452 1.00 0.00 C ATOM 87 CD2 LEU A 6 -8.411 -2.108 -2.103 1.00 0.00 C ATOM 0 H LEU A 6 -10.499 0.940 -2.255 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.402 0.089 -0.515 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.358 1.156 -3.341 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.069 0.292 -2.527 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.848 -0.816 -3.023 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.728 -2.249 -4.760 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.594 -0.516 -5.145 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.201 -1.385 -4.457 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.869 -3.027 -2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.328 -2.231 -2.070 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -8.783 -1.892 -1.101 1.00 0.00 H new ATOM 99 N LYS A 7 -8.698 3.292 -1.159 1.00 0.00 N ATOM 100 CA LYS A 7 -8.312 4.607 -0.685 1.00 0.00 C ATOM 101 C LYS A 7 -8.519 4.672 0.828 1.00 0.00 C ATOM 102 O LYS A 7 -7.632 5.107 1.555 1.00 0.00 O ATOM 103 CB LYS A 7 -9.122 5.678 -1.422 1.00 0.00 C ATOM 104 CG LYS A 7 -8.483 7.059 -1.229 1.00 0.00 C ATOM 105 CD LYS A 7 -9.312 8.145 -1.918 1.00 0.00 C ATOM 106 CE LYS A 7 -8.607 9.505 -1.838 1.00 0.00 C ATOM 107 NZ LYS A 7 -8.409 9.945 -0.443 1.00 0.00 N ATOM 0 H LYS A 7 -9.459 3.306 -1.838 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.258 4.794 -0.891 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.172 5.439 -2.484 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.146 5.689 -1.049 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.399 7.280 -0.165 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.471 7.056 -1.635 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.475 7.876 -2.962 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.294 8.212 -1.449 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.641 9.442 -2.339 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.196 10.250 -2.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.039 10.917 -0.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.317 9.916 0.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.731 9.312 0.028 1.00 0.00 H new ATOM 121 N GLY A 8 -9.683 4.223 1.301 1.00 0.00 N ATOM 122 CA GLY A 8 -10.017 4.200 2.714 1.00 0.00 C ATOM 123 C GLY A 8 -8.965 3.390 3.460 1.00 0.00 C ATOM 124 O GLY A 8 -8.383 3.865 4.428 1.00 0.00 O ATOM 0 H GLY A 8 -10.425 3.862 0.701 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.059 5.216 3.107 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.004 3.761 2.860 1.00 0.00 H new ATOM 128 N ILE A 9 -8.715 2.168 2.990 1.00 0.00 N ATOM 129 CA ILE A 9 -7.723 1.259 3.552 1.00 0.00 C ATOM 130 C ILE A 9 -6.348 1.945 3.621 1.00 0.00 C ATOM 131 O ILE A 9 -5.712 1.975 4.676 1.00 0.00 O ATOM 132 CB ILE A 9 -7.716 -0.019 2.694 1.00 0.00 C ATOM 133 CG1 ILE A 9 -9.033 -0.805 2.850 1.00 0.00 C ATOM 134 CG2 ILE A 9 -6.490 -0.896 2.959 1.00 0.00 C ATOM 135 CD1 ILE A 9 -9.065 -1.737 4.063 1.00 0.00 C ATOM 0 H ILE A 9 -9.210 1.776 2.189 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.972 0.986 4.577 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.644 0.297 1.653 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.859 -0.098 2.927 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.201 -1.394 1.948 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.535 -1.784 2.328 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.584 -0.334 2.731 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.477 -1.196 4.007 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -10.025 -2.252 4.101 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.263 -2.470 3.980 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.931 -1.154 4.974 1.00 0.00 H new ATOM 147 N PHE A 10 -5.891 2.501 2.496 1.00 0.00 N ATOM 148 CA PHE A 10 -4.626 3.215 2.394 1.00 0.00 C ATOM 149 C PHE A 10 -4.567 4.302 3.469 1.00 0.00 C ATOM 150 O PHE A 10 -3.626 4.333 4.251 1.00 0.00 O ATOM 151 CB PHE A 10 -4.482 3.828 0.993 1.00 0.00 C ATOM 152 CG PHE A 10 -3.319 4.792 0.841 1.00 0.00 C ATOM 153 CD1 PHE A 10 -3.470 6.109 1.313 1.00 0.00 C ATOM 154 CD2 PHE A 10 -2.028 4.321 0.542 1.00 0.00 C ATOM 155 CE1 PHE A 10 -2.375 6.754 1.901 1.00 0.00 C ATOM 156 CE2 PHE A 10 -0.914 5.116 0.863 1.00 0.00 C ATOM 157 CZ PHE A 10 -1.087 6.259 1.664 1.00 0.00 C ATOM 0 H PHE A 10 -6.404 2.464 1.615 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.800 2.521 2.550 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.366 3.022 0.268 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.405 4.351 0.743 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.419 6.616 1.223 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.894 3.359 0.071 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.522 7.621 2.528 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.067 4.851 0.497 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.229 6.753 2.095 1.00 0.00 H new ATOM 167 N GLU A 11 -5.564 5.193 3.506 1.00 0.00 N ATOM 168 CA GLU A 11 -5.616 6.293 4.455 1.00 0.00 C ATOM 169 C GLU A 11 -5.576 5.761 5.889 1.00 0.00 C ATOM 170 O GLU A 11 -4.818 6.253 6.720 1.00 0.00 O ATOM 171 CB GLU A 11 -6.874 7.146 4.207 1.00 0.00 C ATOM 172 CG GLU A 11 -6.527 8.600 3.862 1.00 0.00 C ATOM 173 CD GLU A 11 -5.911 8.735 2.470 1.00 0.00 C ATOM 174 OE1 GLU A 11 -6.656 8.503 1.492 1.00 0.00 O ATOM 175 OE2 GLU A 11 -4.709 9.067 2.404 1.00 0.00 O ATOM 0 H GLU A 11 -6.361 5.164 2.870 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.743 6.930 4.312 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.453 6.709 3.393 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.506 7.126 5.095 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.429 9.210 3.918 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.831 8.991 4.604 1.00 0.00 H new ATOM 182 N LYS A 12 -6.399 4.750 6.172 1.00 0.00 N ATOM 183 CA LYS A 12 -6.491 4.127 7.479 1.00 0.00 C ATOM 184 C LYS A 12 -5.094 3.728 7.947 1.00 0.00 C ATOM 185 O LYS A 12 -4.668 4.153 9.015 1.00 0.00 O ATOM 186 CB LYS A 12 -7.460 2.935 7.426 1.00 0.00 C ATOM 187 CG LYS A 12 -7.752 2.357 8.819 1.00 0.00 C ATOM 188 CD LYS A 12 -8.785 1.222 8.756 1.00 0.00 C ATOM 189 CE LYS A 12 -8.200 -0.056 8.141 1.00 0.00 C ATOM 190 NZ LYS A 12 -9.198 -1.138 8.085 1.00 0.00 N ATOM 0 H LYS A 12 -7.028 4.339 5.482 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.894 4.831 8.207 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.395 3.250 6.963 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.038 2.155 6.793 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.827 1.984 9.260 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.120 3.148 9.472 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.149 1.007 9.761 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.644 1.546 8.169 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.837 0.157 7.136 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.341 -0.383 8.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.826 -1.924 7.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.400 -1.474 9.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.073 -0.781 7.652 1.00 0.00 H new ATOM 204 N TYR A 13 -4.365 2.929 7.161 1.00 0.00 N ATOM 205 CA TYR A 13 -3.028 2.534 7.575 1.00 0.00 C ATOM 206 C TYR A 13 -2.079 3.725 7.581 1.00 0.00 C ATOM 207 O TYR A 13 -1.304 3.861 8.524 1.00 0.00 O ATOM 208 CB TYR A 13 -2.526 1.333 6.781 1.00 0.00 C ATOM 209 CG TYR A 13 -3.027 0.037 7.381 1.00 0.00 C ATOM 210 CD1 TYR A 13 -4.372 -0.320 7.195 1.00 0.00 C ATOM 211 CD2 TYR A 13 -2.179 -0.792 8.144 1.00 0.00 C ATOM 212 CE1 TYR A 13 -4.873 -1.487 7.787 1.00 0.00 C ATOM 213 CE2 TYR A 13 -2.712 -1.907 8.809 1.00 0.00 C ATOM 214 CZ TYR A 13 -4.059 -2.256 8.632 1.00 0.00 C ATOM 215 OH TYR A 13 -4.575 -3.341 9.271 1.00 0.00 O ATOM 0 H TYR A 13 -4.671 2.556 6.262 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.071 2.191 8.609 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.860 1.412 5.746 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.436 1.333 6.765 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -5.019 0.304 6.597 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.125 -0.570 8.216 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.889 -1.796 7.592 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.083 -2.498 9.459 1.00 0.00 H new ATOM 0 HH TYR A 13 -3.844 -3.911 9.589 1.00 0.00 H new ATOM 225 N ALA A 14 -2.131 4.607 6.580 1.00 0.00 N ATOM 226 CA ALA A 14 -1.267 5.783 6.587 1.00 0.00 C ATOM 227 C ALA A 14 -1.422 6.573 7.897 1.00 0.00 C ATOM 228 O ALA A 14 -0.460 7.125 8.418 1.00 0.00 O ATOM 229 CB ALA A 14 -1.570 6.638 5.361 1.00 0.00 C ATOM 0 H ALA A 14 -2.749 4.531 5.772 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.224 5.469 6.536 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.926 7.518 5.363 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.387 6.056 4.458 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.614 6.952 5.385 1.00 0.00 H new ATOM 235 N ALA A 15 -2.637 6.620 8.451 1.00 0.00 N ATOM 236 CA ALA A 15 -2.907 7.307 9.704 1.00 0.00 C ATOM 237 C ALA A 15 -2.276 6.617 10.924 1.00 0.00 C ATOM 238 O ALA A 15 -2.065 7.282 11.935 1.00 0.00 O ATOM 239 CB ALA A 15 -4.419 7.467 9.888 1.00 0.00 C ATOM 0 H ALA A 15 -3.459 6.180 8.037 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.437 8.289 9.641 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.619 7.982 10.828 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.827 8.049 9.061 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.889 6.484 9.906 1.00 0.00 H new ATOM 245 N LYS A 16 -1.979 5.312 10.873 1.00 0.00 N ATOM 246 CA LYS A 16 -1.398 4.607 12.014 1.00 0.00 C ATOM 247 C LYS A 16 -0.020 5.164 12.388 1.00 0.00 C ATOM 248 O LYS A 16 0.239 5.432 13.558 1.00 0.00 O ATOM 249 CB LYS A 16 -1.291 3.098 11.736 1.00 0.00 C ATOM 250 CG LYS A 16 -1.947 2.221 12.812 1.00 0.00 C ATOM 251 CD LYS A 16 -3.484 2.265 12.813 1.00 0.00 C ATOM 252 CE LYS A 16 -4.095 1.940 11.445 1.00 0.00 C ATOM 253 NZ LYS A 16 -3.599 0.665 10.895 1.00 0.00 N ATOM 0 H LYS A 16 -2.133 4.726 10.052 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.070 4.766 12.858 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.753 2.882 10.773 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.238 2.827 11.652 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.625 1.190 12.670 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.585 2.536 13.791 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.861 1.557 13.551 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.813 3.256 13.125 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.180 1.895 11.537 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.867 2.746 10.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.149 0.414 10.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.596 0.764 10.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.701 -0.084 11.609 1.00 0.00 H new ATOM 267 N GLU A 17 0.869 5.316 11.403 1.00 0.00 N ATOM 268 CA GLU A 17 2.222 5.813 11.613 1.00 0.00 C ATOM 269 C GLU A 17 2.700 6.499 10.344 1.00 0.00 C ATOM 270 O GLU A 17 2.334 6.123 9.236 1.00 0.00 O ATOM 271 CB GLU A 17 3.154 4.672 12.044 1.00 0.00 C ATOM 272 CG GLU A 17 4.603 5.070 12.377 1.00 0.00 C ATOM 273 CD GLU A 17 5.508 5.221 11.153 1.00 0.00 C ATOM 274 OE1 GLU A 17 5.490 4.302 10.304 1.00 0.00 O ATOM 275 OE2 GLU A 17 6.211 6.252 11.090 1.00 0.00 O ATOM 0 H GLU A 17 0.663 5.094 10.429 1.00 0.00 H new ATOM 0 HA GLU A 17 2.230 6.545 12.421 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.721 4.188 12.920 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.177 3.928 11.247 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.592 6.012 12.926 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.031 4.319 13.041 1.00 0.00 H new ATOM 282 N GLY A 18 3.537 7.508 10.550 1.00 0.00 N ATOM 283 CA GLY A 18 4.083 8.351 9.503 1.00 0.00 C ATOM 284 C GLY A 18 3.087 9.470 9.203 1.00 0.00 C ATOM 285 O GLY A 18 2.153 9.706 9.966 1.00 0.00 O ATOM 0 H GLY A 18 3.863 7.767 11.481 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.039 8.771 9.816 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.272 7.763 8.605 1.00 0.00 H new ATOM 289 N ASP A 19 3.278 10.175 8.089 1.00 0.00 N ATOM 290 CA ASP A 19 2.365 11.240 7.701 1.00 0.00 C ATOM 291 C ASP A 19 1.045 10.578 7.280 1.00 0.00 C ATOM 292 O ASP A 19 1.104 9.589 6.557 1.00 0.00 O ATOM 293 CB ASP A 19 2.981 12.023 6.538 1.00 0.00 C ATOM 294 CG ASP A 19 2.111 13.200 6.113 1.00 0.00 C ATOM 295 OD1 ASP A 19 1.030 12.933 5.547 1.00 0.00 O ATOM 296 OD2 ASP A 19 2.533 14.346 6.380 1.00 0.00 O ATOM 0 H ASP A 19 4.054 10.026 7.444 1.00 0.00 H new ATOM 0 HA ASP A 19 2.184 11.936 8.520 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.966 12.388 6.829 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.126 11.355 5.689 1.00 0.00 H new ATOM 301 N PRO A 20 -0.134 11.084 7.681 1.00 0.00 N ATOM 302 CA PRO A 20 -1.417 10.478 7.335 1.00 0.00 C ATOM 303 C PRO A 20 -1.658 10.300 5.829 1.00 0.00 C ATOM 304 O PRO A 20 -2.533 9.532 5.441 1.00 0.00 O ATOM 305 CB PRO A 20 -2.487 11.348 8.003 1.00 0.00 C ATOM 306 CG PRO A 20 -1.780 12.683 8.239 1.00 0.00 C ATOM 307 CD PRO A 20 -0.337 12.262 8.506 1.00 0.00 C ATOM 0 HA PRO A 20 -1.445 9.451 7.700 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -3.362 11.467 7.364 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -2.833 10.908 8.938 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.856 13.339 7.372 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -2.207 13.222 9.085 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.362 13.055 8.241 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.179 12.038 9.561 1.00 0.00 H new ATOM 315 N ASN A 21 -0.910 10.993 4.970 1.00 0.00 N ATOM 316 CA ASN A 21 -1.005 10.905 3.530 1.00 0.00 C ATOM 317 C ASN A 21 -0.072 9.805 2.981 1.00 0.00 C ATOM 318 O ASN A 21 -0.201 9.414 1.821 1.00 0.00 O ATOM 319 CB ASN A 21 -0.623 12.300 3.007 1.00 0.00 C ATOM 320 CG ASN A 21 -1.132 12.595 1.609 1.00 0.00 C ATOM 321 OD1 ASN A 21 -1.802 13.589 1.366 1.00 0.00 O ATOM 322 ND2 ASN A 21 -0.835 11.742 0.652 1.00 0.00 N ATOM 0 H ASN A 21 -0.197 11.653 5.280 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.007 10.627 3.203 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.014 13.053 3.691 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.463 12.395 3.015 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.164 11.908 -0.299 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.276 10.915 0.861 1.00 0.00 H new ATOM 329 N GLN A 22 0.879 9.299 3.777 1.00 0.00 N ATOM 330 CA GLN A 22 1.859 8.305 3.347 1.00 0.00 C ATOM 331 C GLN A 22 1.867 6.991 4.142 1.00 0.00 C ATOM 332 O GLN A 22 1.565 6.951 5.327 1.00 0.00 O ATOM 333 CB GLN A 22 3.275 8.881 3.432 1.00 0.00 C ATOM 334 CG GLN A 22 3.669 9.948 2.404 1.00 0.00 C ATOM 335 CD GLN A 22 3.868 11.308 3.054 1.00 0.00 C ATOM 336 OE1 GLN A 22 3.061 12.213 2.898 1.00 0.00 O ATOM 337 NE2 GLN A 22 4.943 11.486 3.811 1.00 0.00 N ATOM 0 H GLN A 22 0.987 9.576 4.753 1.00 0.00 H new ATOM 0 HA GLN A 22 1.554 8.069 2.327 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.405 9.308 4.426 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.980 8.054 3.345 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.588 9.647 1.901 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.896 10.020 1.639 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.611 10.725 3.935 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.102 12.384 4.269 1.00 0.00 H new ATOM 346 N LEU A 23 2.264 5.908 3.466 1.00 0.00 N ATOM 347 CA LEU A 23 2.433 4.564 4.005 1.00 0.00 C ATOM 348 C LEU A 23 3.916 4.252 4.176 1.00 0.00 C ATOM 349 O LEU A 23 4.612 4.045 3.186 1.00 0.00 O ATOM 350 CB LEU A 23 1.879 3.547 3.002 1.00 0.00 C ATOM 351 CG LEU A 23 0.402 3.219 3.202 1.00 0.00 C ATOM 352 CD1 LEU A 23 -0.013 2.222 2.112 1.00 0.00 C ATOM 353 CD2 LEU A 23 0.072 2.596 4.560 1.00 0.00 C ATOM 0 H LEU A 23 2.487 5.954 2.472 1.00 0.00 H new ATOM 0 HA LEU A 23 1.914 4.508 4.962 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.021 3.933 1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.458 2.627 3.076 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.139 4.164 3.150 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.067 1.970 2.232 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.144 2.670 1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.589 1.317 2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.998 2.395 4.618 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.623 1.663 4.676 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.355 3.286 5.355 1.00 0.00 H new ATOM 365 N SER A 24 4.433 4.186 5.400 1.00 0.00 N ATOM 366 CA SER A 24 5.836 3.833 5.578 1.00 0.00 C ATOM 367 C SER A 24 6.041 2.377 5.143 1.00 0.00 C ATOM 368 O SER A 24 5.081 1.617 5.043 1.00 0.00 O ATOM 369 CB SER A 24 6.269 4.055 7.033 1.00 0.00 C ATOM 370 OG SER A 24 5.703 3.074 7.879 1.00 0.00 O ATOM 0 H SER A 24 3.917 4.367 6.261 1.00 0.00 H new ATOM 0 HA SER A 24 6.461 4.476 4.958 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.356 4.019 7.103 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.961 5.047 7.362 1.00 0.00 H new ATOM 0 HG SER A 24 5.595 3.443 8.781 1.00 0.00 H new ATOM 376 N LYS A 25 7.286 1.969 4.893 1.00 0.00 N ATOM 377 CA LYS A 25 7.598 0.585 4.541 1.00 0.00 C ATOM 378 C LYS A 25 7.019 -0.332 5.620 1.00 0.00 C ATOM 379 O LYS A 25 6.306 -1.296 5.343 1.00 0.00 O ATOM 380 CB LYS A 25 9.120 0.462 4.334 1.00 0.00 C ATOM 381 CG LYS A 25 9.680 -0.951 4.568 1.00 0.00 C ATOM 382 CD LYS A 25 11.211 -1.053 4.490 1.00 0.00 C ATOM 383 CE LYS A 25 11.803 -0.721 3.114 1.00 0.00 C ATOM 384 NZ LYS A 25 12.047 0.722 2.946 1.00 0.00 N ATOM 0 H LYS A 25 8.099 2.583 4.929 1.00 0.00 H new ATOM 0 HA LYS A 25 7.140 0.275 3.602 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.363 0.772 3.318 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.623 1.155 5.008 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.355 -1.298 5.549 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.246 -1.626 3.831 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.645 -0.380 5.230 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.509 -2.065 4.765 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.739 -1.264 2.983 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.123 -1.066 2.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.418 1.097 2.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.859 1.213 3.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.037 0.877 2.668 1.00 0.00 H new ATOM 398 N GLU A 26 7.326 0.010 6.867 1.00 0.00 N ATOM 399 CA GLU A 26 6.820 -0.695 8.032 1.00 0.00 C ATOM 400 C GLU A 26 5.285 -0.727 7.991 1.00 0.00 C ATOM 401 O GLU A 26 4.677 -1.775 8.175 1.00 0.00 O ATOM 402 CB GLU A 26 7.356 -0.024 9.307 1.00 0.00 C ATOM 403 CG GLU A 26 6.957 -0.771 10.587 1.00 0.00 C ATOM 404 CD GLU A 26 7.453 -2.215 10.596 1.00 0.00 C ATOM 405 OE1 GLU A 26 8.691 -2.386 10.600 1.00 0.00 O ATOM 406 OE2 GLU A 26 6.590 -3.119 10.585 1.00 0.00 O ATOM 0 H GLU A 26 7.939 0.792 7.096 1.00 0.00 H new ATOM 0 HA GLU A 26 7.167 -1.728 8.031 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.443 0.036 9.251 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.983 0.999 9.358 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.361 -0.245 11.452 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.872 -0.762 10.687 1.00 0.00 H new ATOM 413 N GLU A 27 4.643 0.415 7.744 1.00 0.00 N ATOM 414 CA GLU A 27 3.190 0.477 7.686 1.00 0.00 C ATOM 415 C GLU A 27 2.625 -0.448 6.602 1.00 0.00 C ATOM 416 O GLU A 27 1.644 -1.158 6.828 1.00 0.00 O ATOM 417 CB GLU A 27 2.750 1.933 7.494 1.00 0.00 C ATOM 418 CG GLU A 27 1.271 2.148 7.819 1.00 0.00 C ATOM 419 CD GLU A 27 0.926 1.837 9.273 1.00 0.00 C ATOM 420 OE1 GLU A 27 1.752 2.181 10.145 1.00 0.00 O ATOM 421 OE2 GLU A 27 -0.149 1.241 9.489 1.00 0.00 O ATOM 0 H GLU A 27 5.110 1.307 7.581 1.00 0.00 H new ATOM 0 HA GLU A 27 2.782 0.115 8.630 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.356 2.579 8.130 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.939 2.233 6.463 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.004 3.182 7.602 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.666 1.519 7.166 1.00 0.00 H new ATOM 428 N LEU A 28 3.240 -0.450 5.418 1.00 0.00 N ATOM 429 CA LEU A 28 2.809 -1.296 4.316 1.00 0.00 C ATOM 430 C LEU A 28 2.805 -2.762 4.747 1.00 0.00 C ATOM 431 O LEU A 28 1.884 -3.497 4.402 1.00 0.00 O ATOM 432 CB LEU A 28 3.727 -1.089 3.104 1.00 0.00 C ATOM 433 CG LEU A 28 3.225 -1.809 1.838 1.00 0.00 C ATOM 434 CD1 LEU A 28 1.957 -1.164 1.266 1.00 0.00 C ATOM 435 CD2 LEU A 28 4.323 -1.802 0.771 1.00 0.00 C ATOM 0 H LEU A 28 4.047 0.134 5.202 1.00 0.00 H new ATOM 0 HA LEU A 28 1.794 -1.020 4.032 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.813 -0.022 2.898 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.727 -1.448 3.347 1.00 0.00 H new ATOM 0 HG LEU A 28 2.977 -2.832 2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.643 -1.707 0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.163 -1.199 2.012 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.163 -0.126 1.004 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.965 -2.312 -0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.582 -0.773 0.522 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.205 -2.316 1.153 1.00 0.00 H new ATOM 447 N LYS A 29 3.823 -3.189 5.503 1.00 0.00 N ATOM 448 CA LYS A 29 3.911 -4.572 5.967 1.00 0.00 C ATOM 449 C LYS A 29 2.615 -4.957 6.678 1.00 0.00 C ATOM 450 O LYS A 29 1.882 -5.824 6.204 1.00 0.00 O ATOM 451 CB LYS A 29 5.141 -4.779 6.863 1.00 0.00 C ATOM 452 CG LYS A 29 5.120 -6.076 7.686 1.00 0.00 C ATOM 453 CD LYS A 29 5.106 -7.335 6.806 1.00 0.00 C ATOM 454 CE LYS A 29 5.000 -8.608 7.654 1.00 0.00 C ATOM 455 NZ LYS A 29 6.149 -8.765 8.564 1.00 0.00 N ATOM 0 H LYS A 29 4.595 -2.595 5.805 1.00 0.00 H new ATOM 0 HA LYS A 29 4.038 -5.230 5.107 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.034 -4.775 6.238 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.225 -3.933 7.545 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.993 -6.103 8.337 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.241 -6.078 8.331 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.266 -7.287 6.112 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.014 -7.371 6.205 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.079 -8.580 8.236 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.936 -9.476 6.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.116 -9.706 9.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.034 -8.665 8.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.109 -8.035 9.303 1.00 0.00 H new ATOM 469 N LEU A 30 2.335 -4.314 7.815 1.00 0.00 N ATOM 470 CA LEU A 30 1.119 -4.583 8.569 1.00 0.00 C ATOM 471 C LEU A 30 -0.114 -4.494 7.669 1.00 0.00 C ATOM 472 O LEU A 30 -0.988 -5.354 7.741 1.00 0.00 O ATOM 473 CB LEU A 30 0.952 -3.706 9.821 1.00 0.00 C ATOM 474 CG LEU A 30 1.861 -2.484 10.006 1.00 0.00 C ATOM 475 CD1 LEU A 30 1.176 -1.473 10.934 1.00 0.00 C ATOM 476 CD2 LEU A 30 3.197 -2.880 10.635 1.00 0.00 C ATOM 0 H LEU A 30 2.938 -3.604 8.230 1.00 0.00 H new ATOM 0 HA LEU A 30 1.219 -5.604 8.936 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.079 -3.353 9.839 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.085 -4.348 10.692 1.00 0.00 H new ATOM 0 HG LEU A 30 2.042 -2.049 9.023 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.821 -0.605 11.066 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.230 -1.158 10.494 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.989 -1.937 11.903 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.820 -1.994 10.754 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.020 -3.333 11.611 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.705 -3.597 9.990 1.00 0.00 H new ATOM 488 N LEU A 31 -0.194 -3.464 6.825 1.00 0.00 N ATOM 489 CA LEU A 31 -1.301 -3.291 5.891 1.00 0.00 C ATOM 490 C LEU A 31 -1.549 -4.587 5.122 1.00 0.00 C ATOM 491 O LEU A 31 -2.643 -5.150 5.167 1.00 0.00 O ATOM 492 CB LEU A 31 -0.995 -2.148 4.914 1.00 0.00 C ATOM 493 CG LEU A 31 -2.248 -1.470 4.348 1.00 0.00 C ATOM 494 CD1 LEU A 31 -1.867 -0.510 3.228 1.00 0.00 C ATOM 495 CD2 LEU A 31 -3.298 -2.437 3.824 1.00 0.00 C ATOM 0 H LEU A 31 0.509 -2.727 6.772 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.199 -3.040 6.455 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.386 -1.400 5.422 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.399 -2.537 4.089 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.694 -0.940 5.189 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.766 -0.035 2.834 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.193 0.254 3.617 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.369 -1.061 2.430 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.151 -1.876 3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.871 -3.039 3.022 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.626 -3.091 4.632 1.00 0.00 H new ATOM 507 N LEU A 32 -0.521 -5.060 4.419 1.00 0.00 N ATOM 508 CA LEU A 32 -0.613 -6.265 3.617 1.00 0.00 C ATOM 509 C LEU A 32 -1.038 -7.423 4.505 1.00 0.00 C ATOM 510 O LEU A 32 -1.978 -8.148 4.188 1.00 0.00 O ATOM 511 CB LEU A 32 0.723 -6.569 2.928 1.00 0.00 C ATOM 512 CG LEU A 32 1.118 -5.506 1.894 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.592 -5.692 1.516 1.00 0.00 C ATOM 514 CD2 LEU A 32 0.255 -5.579 0.628 1.00 0.00 C ATOM 0 H LEU A 32 0.396 -4.614 4.394 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.358 -6.118 2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.506 -6.643 3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.660 -7.540 2.437 1.00 0.00 H new ATOM 0 HG LEU A 32 0.957 -4.527 2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.877 -4.939 0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.212 -5.584 2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.736 -6.686 1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.572 -4.807 -0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.370 -6.559 0.166 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.791 -5.422 0.891 1.00 0.00 H new ATOM 526 N GLN A 33 -0.337 -7.577 5.625 1.00 0.00 N ATOM 527 CA GLN A 33 -0.578 -8.651 6.570 1.00 0.00 C ATOM 528 C GLN A 33 -2.030 -8.707 7.054 1.00 0.00 C ATOM 529 O GLN A 33 -2.593 -9.791 7.172 1.00 0.00 O ATOM 530 CB GLN A 33 0.467 -8.590 7.700 1.00 0.00 C ATOM 531 CG GLN A 33 -0.083 -8.395 9.118 1.00 0.00 C ATOM 532 CD GLN A 33 1.041 -8.389 10.149 1.00 0.00 C ATOM 533 OE1 GLN A 33 1.349 -7.373 10.755 1.00 0.00 O ATOM 534 NE2 GLN A 33 1.687 -9.524 10.371 1.00 0.00 N ATOM 0 H GLN A 33 0.420 -6.951 5.900 1.00 0.00 H new ATOM 0 HA GLN A 33 -0.445 -9.605 6.059 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.047 -9.513 7.681 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.158 -7.775 7.485 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.634 -7.456 9.171 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.789 -9.193 9.350 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.425 -10.368 9.862 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.447 -9.554 11.051 1.00 0.00 H new ATOM 543 N THR A 34 -2.635 -7.556 7.350 1.00 0.00 N ATOM 544 CA THR A 34 -3.996 -7.507 7.871 1.00 0.00 C ATOM 545 C THR A 34 -5.056 -7.556 6.768 1.00 0.00 C ATOM 546 O THR A 34 -5.978 -8.364 6.829 1.00 0.00 O ATOM 547 CB THR A 34 -4.239 -6.241 8.717 1.00 0.00 C ATOM 548 OG1 THR A 34 -3.107 -5.787 9.438 1.00 0.00 O ATOM 549 CG2 THR A 34 -5.361 -6.487 9.731 1.00 0.00 C ATOM 0 H THR A 34 -2.198 -6.641 7.236 1.00 0.00 H new ATOM 0 HA THR A 34 -4.094 -8.396 8.494 1.00 0.00 H new ATOM 0 HB THR A 34 -4.500 -5.470 7.992 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.399 -5.534 8.810 1.00 0.00 H new ATOM 0 HG21 THR A 34 -5.522 -5.585 10.321 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.279 -6.743 9.203 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.081 -7.308 10.391 1.00 0.00 H new ATOM 557 N GLU A 35 -4.949 -6.662 5.781 1.00 0.00 N ATOM 558 CA GLU A 35 -5.971 -6.476 4.758 1.00 0.00 C ATOM 559 C GLU A 35 -5.790 -7.332 3.504 1.00 0.00 C ATOM 560 O GLU A 35 -6.766 -7.547 2.792 1.00 0.00 O ATOM 561 CB GLU A 35 -6.064 -4.986 4.399 1.00 0.00 C ATOM 562 CG GLU A 35 -6.081 -4.034 5.612 1.00 0.00 C ATOM 563 CD GLU A 35 -7.251 -4.255 6.568 1.00 0.00 C ATOM 564 OE1 GLU A 35 -7.188 -5.236 7.339 1.00 0.00 O ATOM 565 OE2 GLU A 35 -8.177 -3.416 6.538 1.00 0.00 O ATOM 0 H GLU A 35 -4.144 -6.045 5.672 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.908 -6.825 5.193 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.219 -4.726 3.761 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.968 -4.823 3.813 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.149 -4.151 6.164 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.111 -3.006 5.252 1.00 0.00 H new ATOM 572 N PHE A 36 -4.580 -7.820 3.215 1.00 0.00 N ATOM 573 CA PHE A 36 -4.323 -8.626 2.023 1.00 0.00 C ATOM 574 C PHE A 36 -3.530 -9.904 2.346 1.00 0.00 C ATOM 575 O PHE A 36 -2.627 -10.226 1.579 1.00 0.00 O ATOM 576 CB PHE A 36 -3.550 -7.752 1.015 1.00 0.00 C ATOM 577 CG PHE A 36 -4.224 -6.452 0.606 1.00 0.00 C ATOM 578 CD1 PHE A 36 -5.086 -6.416 -0.507 1.00 0.00 C ATOM 579 CD2 PHE A 36 -3.931 -5.257 1.289 1.00 0.00 C ATOM 580 CE1 PHE A 36 -5.654 -5.200 -0.926 1.00 0.00 C ATOM 581 CE2 PHE A 36 -4.460 -4.036 0.838 1.00 0.00 C ATOM 582 CZ PHE A 36 -5.318 -4.004 -0.268 1.00 0.00 C ATOM 0 H PHE A 36 -3.757 -7.667 3.798 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.275 -8.951 1.602 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.576 -7.514 1.443 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.368 -8.342 0.117 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.312 -7.327 -1.041 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.297 -5.279 2.163 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.348 -5.185 -1.753 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.204 -3.118 1.347 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.720 -3.064 -0.614 1.00 0.00 H new ATOM 592 N PRO A 37 -3.825 -10.651 3.429 1.00 0.00 N ATOM 593 CA PRO A 37 -3.064 -11.836 3.818 1.00 0.00 C ATOM 594 C PRO A 37 -3.019 -12.897 2.721 1.00 0.00 C ATOM 595 O PRO A 37 -1.996 -13.543 2.518 1.00 0.00 O ATOM 596 CB PRO A 37 -3.720 -12.369 5.098 1.00 0.00 C ATOM 597 CG PRO A 37 -5.123 -11.765 5.072 1.00 0.00 C ATOM 598 CD PRO A 37 -4.897 -10.423 4.380 1.00 0.00 C ATOM 0 HA PRO A 37 -2.020 -11.573 3.989 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.754 -13.458 5.105 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.169 -12.061 5.987 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.824 -12.392 4.521 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.529 -11.640 6.076 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.802 -10.084 3.876 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.625 -9.651 5.100 1.00 0.00 H new ATOM 606 N SER A 38 -4.129 -13.084 2.012 1.00 0.00 N ATOM 607 CA SER A 38 -4.239 -14.027 0.920 1.00 0.00 C ATOM 608 C SER A 38 -3.747 -13.382 -0.369 1.00 0.00 C ATOM 609 O SER A 38 -2.868 -13.907 -1.043 1.00 0.00 O ATOM 610 CB SER A 38 -5.710 -14.442 0.838 1.00 0.00 C ATOM 611 OG SER A 38 -6.512 -13.271 0.801 1.00 0.00 O ATOM 0 H SER A 38 -4.992 -12.570 2.190 1.00 0.00 H new ATOM 0 HA SER A 38 -3.621 -14.911 1.080 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.883 -15.047 -0.052 1.00 0.00 H new ATOM 0 HB3 SER A 38 -5.978 -15.056 1.698 1.00 0.00 H new ATOM 0 HG SER A 38 -7.457 -13.524 0.747 1.00 0.00 H new ATOM 617 N LEU A 39 -4.338 -12.240 -0.705 1.00 0.00 N ATOM 618 CA LEU A 39 -4.083 -11.444 -1.875 1.00 0.00 C ATOM 619 C LEU A 39 -2.606 -11.088 -2.084 1.00 0.00 C ATOM 620 O LEU A 39 -2.201 -10.919 -3.230 1.00 0.00 O ATOM 621 CB LEU A 39 -4.975 -10.210 -1.732 1.00 0.00 C ATOM 622 CG LEU A 39 -6.477 -10.506 -1.917 1.00 0.00 C ATOM 623 CD1 LEU A 39 -7.306 -9.292 -1.486 1.00 0.00 C ATOM 624 CD2 LEU A 39 -6.822 -10.842 -3.374 1.00 0.00 C ATOM 0 H LEU A 39 -5.060 -11.826 -0.115 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.319 -12.011 -2.775 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.819 -9.772 -0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.668 -9.464 -2.465 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.712 -11.371 -1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.366 -9.509 -1.620 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.110 -9.072 -0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.033 -8.430 -2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.890 -11.043 -3.458 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.560 -9.999 -4.014 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.261 -11.723 -3.687 1.00 0.00 H new ATOM 636 N LEU A 40 -1.783 -10.976 -1.035 1.00 0.00 N ATOM 637 CA LEU A 40 -0.358 -10.633 -1.163 1.00 0.00 C ATOM 638 C LEU A 40 0.533 -11.669 -1.883 1.00 0.00 C ATOM 639 O LEU A 40 1.722 -11.754 -1.583 1.00 0.00 O ATOM 640 CB LEU A 40 0.223 -10.205 0.202 1.00 0.00 C ATOM 641 CG LEU A 40 0.206 -11.253 1.335 1.00 0.00 C ATOM 642 CD1 LEU A 40 1.232 -12.384 1.202 1.00 0.00 C ATOM 643 CD2 LEU A 40 0.457 -10.543 2.671 1.00 0.00 C ATOM 0 H LEU A 40 -2.085 -11.120 -0.071 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.337 -9.784 -1.847 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.255 -9.892 0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.328 -9.329 0.544 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.776 -11.723 1.276 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.136 -13.064 2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.054 -12.930 0.276 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.237 -11.963 1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.447 -11.274 3.479 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.427 -10.047 2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.325 -9.803 2.842 1.00 0.00 H new ATOM 655 N LYS A 41 0.016 -12.447 -2.839 1.00 0.00 N ATOM 656 CA LYS A 41 0.770 -13.454 -3.587 1.00 0.00 C ATOM 657 C LYS A 41 1.765 -12.817 -4.575 1.00 0.00 C ATOM 658 O LYS A 41 1.652 -12.999 -5.784 1.00 0.00 O ATOM 659 CB LYS A 41 -0.190 -14.405 -4.322 1.00 0.00 C ATOM 660 CG LYS A 41 -1.314 -14.918 -3.418 1.00 0.00 C ATOM 661 CD LYS A 41 -1.964 -16.174 -4.011 1.00 0.00 C ATOM 662 CE LYS A 41 -3.247 -16.549 -3.259 1.00 0.00 C ATOM 663 NZ LYS A 41 -3.020 -16.686 -1.810 1.00 0.00 N ATOM 0 H LYS A 41 -0.963 -12.391 -3.120 1.00 0.00 H new ATOM 0 HA LYS A 41 1.354 -14.027 -2.867 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.624 -13.888 -5.178 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.372 -15.253 -4.713 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.916 -15.142 -2.428 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.067 -14.140 -3.290 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.194 -16.004 -5.063 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.260 -17.005 -3.968 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.006 -15.787 -3.436 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.638 -17.487 -3.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.819 -17.193 -1.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.142 -17.219 -1.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.938 -15.742 -1.381 1.00 0.00 H new ATOM 677 N GLY A 42 2.747 -12.076 -4.065 1.00 0.00 N ATOM 678 CA GLY A 42 3.778 -11.416 -4.847 1.00 0.00 C ATOM 679 C GLY A 42 5.103 -12.160 -4.694 1.00 0.00 C ATOM 680 O GLY A 42 5.320 -12.854 -3.705 1.00 0.00 O ATOM 0 H GLY A 42 2.846 -11.916 -3.062 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.487 -11.386 -5.897 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.891 -10.383 -4.518 1.00 0.00 H new ATOM 684 N GLY A 43 5.997 -12.004 -5.671 1.00 0.00 N ATOM 685 CA GLY A 43 7.320 -12.621 -5.645 1.00 0.00 C ATOM 686 C GLY A 43 8.227 -11.663 -4.882 1.00 0.00 C ATOM 687 O GLY A 43 8.952 -12.038 -3.966 1.00 0.00 O ATOM 0 H GLY A 43 5.821 -11.444 -6.505 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.285 -13.595 -5.156 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.692 -12.785 -6.656 1.00 0.00 H new ATOM 691 N SER A 44 8.144 -10.398 -5.287 1.00 0.00 N ATOM 692 CA SER A 44 8.811 -9.255 -4.714 1.00 0.00 C ATOM 693 C SER A 44 8.620 -9.238 -3.195 1.00 0.00 C ATOM 694 O SER A 44 7.492 -9.135 -2.720 1.00 0.00 O ATOM 695 CB SER A 44 8.123 -8.047 -5.354 1.00 0.00 C ATOM 696 OG SER A 44 8.122 -8.208 -6.761 1.00 0.00 O ATOM 0 H SER A 44 7.563 -10.137 -6.084 1.00 0.00 H new ATOM 0 HA SER A 44 9.885 -9.263 -4.897 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.101 -7.956 -4.985 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.643 -7.129 -5.081 1.00 0.00 H new ATOM 0 HG SER A 44 7.681 -7.438 -7.178 1.00 0.00 H new ATOM 702 N THR A 45 9.712 -9.326 -2.433 1.00 0.00 N ATOM 703 CA THR A 45 9.670 -9.286 -0.982 1.00 0.00 C ATOM 704 C THR A 45 9.224 -7.888 -0.538 1.00 0.00 C ATOM 705 O THR A 45 9.140 -6.981 -1.360 1.00 0.00 O ATOM 706 CB THR A 45 11.069 -9.640 -0.459 1.00 0.00 C ATOM 707 OG1 THR A 45 12.027 -8.846 -1.131 1.00 0.00 O ATOM 708 CG2 THR A 45 11.383 -11.117 -0.720 1.00 0.00 C ATOM 0 H THR A 45 10.653 -9.427 -2.814 1.00 0.00 H new ATOM 0 HA THR A 45 8.957 -10.004 -0.577 1.00 0.00 H new ATOM 0 HB THR A 45 11.101 -9.453 0.614 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.923 -9.065 -0.801 1.00 0.00 H new ATOM 0 HG21 THR A 45 12.379 -11.350 -0.343 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.648 -11.741 -0.212 1.00 0.00 H new ATOM 0 HG23 THR A 45 11.346 -11.313 -1.792 1.00 0.00 H new ATOM 716 N LEU A 46 8.943 -7.697 0.756 1.00 0.00 N ATOM 717 CA LEU A 46 8.491 -6.428 1.322 1.00 0.00 C ATOM 718 C LEU A 46 9.276 -5.243 0.762 1.00 0.00 C ATOM 719 O LEU A 46 8.695 -4.252 0.333 1.00 0.00 O ATOM 720 CB LEU A 46 8.630 -6.478 2.852 1.00 0.00 C ATOM 721 CG LEU A 46 8.269 -5.158 3.559 1.00 0.00 C ATOM 722 CD1 LEU A 46 6.792 -4.787 3.365 1.00 0.00 C ATOM 723 CD2 LEU A 46 8.584 -5.284 5.054 1.00 0.00 C ATOM 0 H LEU A 46 9.026 -8.439 1.451 1.00 0.00 H new ATOM 0 HA LEU A 46 7.446 -6.285 1.046 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.991 -7.272 3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.656 -6.744 3.104 1.00 0.00 H new ATOM 0 HG LEU A 46 8.865 -4.362 3.114 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.582 -3.850 3.880 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.582 -4.672 2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.162 -5.576 3.775 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.330 -4.352 5.559 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.000 -6.099 5.481 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.646 -5.491 5.186 1.00 0.00 H new ATOM 735 N ASP A 47 10.603 -5.358 0.777 1.00 0.00 N ATOM 736 CA ASP A 47 11.511 -4.332 0.324 1.00 0.00 C ATOM 737 C ASP A 47 11.327 -4.098 -1.166 1.00 0.00 C ATOM 738 O ASP A 47 11.023 -2.985 -1.553 1.00 0.00 O ATOM 739 CB ASP A 47 12.961 -4.688 0.661 1.00 0.00 C ATOM 740 CG ASP A 47 13.887 -3.561 0.213 1.00 0.00 C ATOM 741 OD1 ASP A 47 13.914 -2.535 0.926 1.00 0.00 O ATOM 742 OD2 ASP A 47 14.533 -3.740 -0.841 1.00 0.00 O ATOM 0 H ASP A 47 11.079 -6.194 1.116 1.00 0.00 H new ATOM 0 HA ASP A 47 11.280 -3.405 0.848 1.00 0.00 H new ATOM 0 HB2 ASP A 47 13.065 -4.852 1.734 1.00 0.00 H new ATOM 0 HB3 ASP A 47 13.241 -5.619 0.168 1.00 0.00 H new ATOM 747 N GLU A 48 11.494 -5.125 -2.001 1.00 0.00 N ATOM 748 CA GLU A 48 11.345 -4.987 -3.446 1.00 0.00 C ATOM 749 C GLU A 48 9.984 -4.374 -3.794 1.00 0.00 C ATOM 750 O GLU A 48 9.883 -3.470 -4.619 1.00 0.00 O ATOM 751 CB GLU A 48 11.505 -6.360 -4.114 1.00 0.00 C ATOM 752 CG GLU A 48 12.892 -6.981 -3.889 1.00 0.00 C ATOM 753 CD GLU A 48 14.016 -6.126 -4.469 1.00 0.00 C ATOM 754 OE1 GLU A 48 13.948 -5.854 -5.687 1.00 0.00 O ATOM 755 OE2 GLU A 48 14.918 -5.762 -3.684 1.00 0.00 O ATOM 0 H GLU A 48 11.734 -6.068 -1.695 1.00 0.00 H new ATOM 0 HA GLU A 48 12.120 -4.317 -3.819 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.743 -7.037 -3.727 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.328 -6.259 -5.185 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.057 -7.116 -2.820 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.921 -7.971 -4.344 1.00 0.00 H new ATOM 762 N LEU A 49 8.933 -4.873 -3.152 1.00 0.00 N ATOM 763 CA LEU A 49 7.565 -4.437 -3.341 1.00 0.00 C ATOM 764 C LEU A 49 7.415 -2.963 -2.976 1.00 0.00 C ATOM 765 O LEU A 49 7.039 -2.150 -3.819 1.00 0.00 O ATOM 766 CB LEU A 49 6.647 -5.355 -2.524 1.00 0.00 C ATOM 767 CG LEU A 49 5.192 -4.879 -2.473 1.00 0.00 C ATOM 768 CD1 LEU A 49 4.591 -4.738 -3.877 1.00 0.00 C ATOM 769 CD2 LEU A 49 4.362 -5.880 -1.664 1.00 0.00 C ATOM 0 H LEU A 49 9.020 -5.619 -2.462 1.00 0.00 H new ATOM 0 HA LEU A 49 7.277 -4.514 -4.389 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.678 -6.358 -2.950 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.032 -5.429 -1.507 1.00 0.00 H new ATOM 0 HG LEU A 49 5.174 -3.897 -2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.558 -4.398 -3.798 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.169 -4.012 -4.449 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.618 -5.703 -4.383 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.325 -5.545 -1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.409 -6.860 -2.139 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.760 -5.948 -0.651 1.00 0.00 H new ATOM 781 N PHE A 50 7.715 -2.599 -1.728 1.00 0.00 N ATOM 782 CA PHE A 50 7.651 -1.233 -1.266 1.00 0.00 C ATOM 783 C PHE A 50 8.540 -0.380 -2.166 1.00 0.00 C ATOM 784 O PHE A 50 8.176 0.745 -2.459 1.00 0.00 O ATOM 785 CB PHE A 50 8.119 -1.188 0.192 1.00 0.00 C ATOM 786 CG PHE A 50 8.490 0.196 0.663 1.00 0.00 C ATOM 787 CD1 PHE A 50 9.793 0.650 0.423 1.00 0.00 C ATOM 788 CD2 PHE A 50 7.531 1.057 1.216 1.00 0.00 C ATOM 789 CE1 PHE A 50 10.155 1.963 0.771 1.00 0.00 C ATOM 790 CE2 PHE A 50 7.918 2.337 1.656 1.00 0.00 C ATOM 791 CZ PHE A 50 9.237 2.785 1.450 1.00 0.00 C ATOM 0 H PHE A 50 8.011 -3.260 -1.010 1.00 0.00 H new ATOM 0 HA PHE A 50 6.634 -0.843 -1.312 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.328 -1.581 0.831 1.00 0.00 H new ATOM 0 HB3 PHE A 50 8.980 -1.846 0.309 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.520 -0.009 -0.029 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.502 0.740 1.304 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.135 2.340 0.518 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.203 2.976 2.152 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.543 3.756 1.812 1.00 0.00 H new ATOM 801 N GLU A 51 9.689 -0.893 -2.614 1.00 0.00 N ATOM 802 CA GLU A 51 10.570 -0.118 -3.483 1.00 0.00 C ATOM 803 C GLU A 51 9.903 0.146 -4.833 1.00 0.00 C ATOM 804 O GLU A 51 9.954 1.270 -5.321 1.00 0.00 O ATOM 805 CB GLU A 51 11.947 -0.781 -3.641 1.00 0.00 C ATOM 806 CG GLU A 51 12.831 -0.617 -2.395 1.00 0.00 C ATOM 807 CD GLU A 51 13.271 0.827 -2.173 1.00 0.00 C ATOM 808 OE1 GLU A 51 14.033 1.327 -3.028 1.00 0.00 O ATOM 809 OE2 GLU A 51 12.836 1.404 -1.153 1.00 0.00 O ATOM 0 H GLU A 51 10.026 -1.830 -2.391 1.00 0.00 H new ATOM 0 HA GLU A 51 10.745 0.846 -3.006 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.813 -1.843 -3.849 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.457 -0.349 -4.502 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.285 -0.965 -1.518 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.713 -1.250 -2.494 1.00 0.00 H new ATOM 816 N GLU A 52 9.260 -0.860 -5.434 1.00 0.00 N ATOM 817 CA GLU A 52 8.547 -0.688 -6.697 1.00 0.00 C ATOM 818 C GLU A 52 7.503 0.407 -6.487 1.00 0.00 C ATOM 819 O GLU A 52 7.362 1.338 -7.275 1.00 0.00 O ATOM 820 CB GLU A 52 7.883 -2.018 -7.092 1.00 0.00 C ATOM 821 CG GLU A 52 6.781 -1.849 -8.153 1.00 0.00 C ATOM 822 CD GLU A 52 6.127 -3.173 -8.545 1.00 0.00 C ATOM 823 OE1 GLU A 52 6.419 -4.189 -7.877 1.00 0.00 O ATOM 824 OE2 GLU A 52 5.325 -3.141 -9.503 1.00 0.00 O ATOM 0 H GLU A 52 9.221 -1.808 -5.060 1.00 0.00 H new ATOM 0 HA GLU A 52 9.224 -0.401 -7.502 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.644 -2.699 -7.472 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.456 -2.482 -6.203 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.017 -1.171 -7.772 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.207 -1.383 -9.041 1.00 0.00 H new ATOM 831 N LEU A 53 6.762 0.255 -5.395 1.00 0.00 N ATOM 832 CA LEU A 53 5.717 1.162 -4.978 1.00 0.00 C ATOM 833 C LEU A 53 6.264 2.571 -4.729 1.00 0.00 C ATOM 834 O LEU A 53 5.635 3.557 -5.098 1.00 0.00 O ATOM 835 CB LEU A 53 5.078 0.570 -3.714 1.00 0.00 C ATOM 836 CG LEU A 53 3.908 -0.349 -4.081 1.00 0.00 C ATOM 837 CD1 LEU A 53 3.660 -1.330 -2.936 1.00 0.00 C ATOM 838 CD2 LEU A 53 2.657 0.494 -4.334 1.00 0.00 C ATOM 0 H LEU A 53 6.882 -0.533 -4.759 1.00 0.00 H new ATOM 0 HA LEU A 53 4.969 1.267 -5.764 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.824 0.010 -3.151 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.727 1.374 -3.067 1.00 0.00 H new ATOM 0 HG LEU A 53 4.146 -0.908 -4.986 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.828 -1.986 -3.193 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.556 -1.928 -2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.419 -0.777 -2.028 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.825 -0.159 -4.595 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.409 1.056 -3.434 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.845 1.187 -5.154 1.00 0.00 H new ATOM 850 N ASP A 54 7.431 2.684 -4.100 1.00 0.00 N ATOM 851 CA ASP A 54 8.070 3.939 -3.760 1.00 0.00 C ATOM 852 C ASP A 54 8.697 4.527 -5.027 1.00 0.00 C ATOM 853 O ASP A 54 9.915 4.603 -5.161 1.00 0.00 O ATOM 854 CB ASP A 54 9.086 3.688 -2.630 1.00 0.00 C ATOM 855 CG ASP A 54 9.611 4.968 -1.995 1.00 0.00 C ATOM 856 OD1 ASP A 54 10.074 5.853 -2.746 1.00 0.00 O ATOM 857 OD2 ASP A 54 9.541 5.076 -0.751 1.00 0.00 O ATOM 0 H ASP A 54 7.972 1.871 -3.805 1.00 0.00 H new ATOM 0 HA ASP A 54 7.356 4.673 -3.386 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.618 3.074 -1.860 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.925 3.117 -3.026 1.00 0.00 H new ATOM 862 N LYS A 55 7.856 4.954 -5.969 1.00 0.00 N ATOM 863 CA LYS A 55 8.322 5.564 -7.210 1.00 0.00 C ATOM 864 C LYS A 55 9.011 6.887 -6.864 1.00 0.00 C ATOM 865 O LYS A 55 10.055 7.224 -7.417 1.00 0.00 O ATOM 866 CB LYS A 55 7.156 5.749 -8.189 1.00 0.00 C ATOM 867 CG LYS A 55 6.510 4.398 -8.538 1.00 0.00 C ATOM 868 CD LYS A 55 5.497 4.484 -9.689 1.00 0.00 C ATOM 869 CE LYS A 55 4.092 4.936 -9.266 1.00 0.00 C ATOM 870 NZ LYS A 55 4.030 6.359 -8.888 1.00 0.00 N ATOM 0 H LYS A 55 6.841 4.887 -5.893 1.00 0.00 H new ATOM 0 HA LYS A 55 9.042 4.916 -7.711 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.409 6.411 -7.750 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.513 6.231 -9.099 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.293 3.688 -8.805 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.010 4.003 -7.653 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.877 5.176 -10.440 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.423 3.506 -10.165 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.397 4.754 -10.085 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.760 4.328 -8.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.079 6.730 -9.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.235 6.458 -7.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.732 6.895 -9.437 1.00 0.00 H new ATOM 884 N ASN A 56 8.420 7.631 -5.926 1.00 0.00 N ATOM 885 CA ASN A 56 8.940 8.883 -5.404 1.00 0.00 C ATOM 886 C ASN A 56 8.344 9.109 -4.015 1.00 0.00 C ATOM 887 O ASN A 56 7.646 10.086 -3.770 1.00 0.00 O ATOM 888 CB ASN A 56 8.675 10.050 -6.365 1.00 0.00 C ATOM 889 CG ASN A 56 9.206 11.375 -5.815 1.00 0.00 C ATOM 890 OD1 ASN A 56 8.546 12.403 -5.888 1.00 0.00 O ATOM 891 ND2 ASN A 56 10.413 11.395 -5.264 1.00 0.00 N ATOM 0 H ASN A 56 7.534 7.362 -5.498 1.00 0.00 H new ATOM 0 HA ASN A 56 10.025 8.828 -5.314 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.144 9.842 -7.326 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.603 10.135 -6.545 1.00 0.00 H new ATOM 0 HD21 ASN A 56 10.793 12.269 -4.900 1.00 0.00 H new ATOM 0 HD22 ASN A 56 10.961 10.537 -5.205 1.00 0.00 H new ATOM 898 N GLY A 57 8.629 8.176 -3.108 1.00 0.00 N ATOM 899 CA GLY A 57 8.200 8.211 -1.720 1.00 0.00 C ATOM 900 C GLY A 57 9.388 8.706 -0.903 1.00 0.00 C ATOM 901 O GLY A 57 9.321 9.729 -0.232 1.00 0.00 O ATOM 0 H GLY A 57 9.184 7.350 -3.331 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.343 8.874 -1.597 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.888 7.221 -1.387 1.00 0.00 H new ATOM 905 N ASP A 58 10.486 7.948 -0.983 1.00 0.00 N ATOM 906 CA ASP A 58 11.803 8.216 -0.416 1.00 0.00 C ATOM 907 C ASP A 58 11.717 8.305 1.098 1.00 0.00 C ATOM 908 O ASP A 58 12.323 9.149 1.748 1.00 0.00 O ATOM 909 CB ASP A 58 12.555 9.362 -1.124 1.00 0.00 C ATOM 910 CG ASP A 58 11.888 10.734 -1.074 1.00 0.00 C ATOM 911 OD1 ASP A 58 12.086 11.444 -0.065 1.00 0.00 O ATOM 912 OD2 ASP A 58 11.235 11.073 -2.087 1.00 0.00 O ATOM 0 H ASP A 58 10.471 7.061 -1.487 1.00 0.00 H new ATOM 0 HA ASP A 58 12.453 7.365 -0.621 1.00 0.00 H new ATOM 0 HB2 ASP A 58 13.547 9.447 -0.681 1.00 0.00 H new ATOM 0 HB3 ASP A 58 12.695 9.086 -2.169 1.00 0.00 H new ATOM 917 N GLY A 59 10.943 7.369 1.635 1.00 0.00 N ATOM 918 CA GLY A 59 10.685 7.224 3.048 1.00 0.00 C ATOM 919 C GLY A 59 9.373 6.473 3.205 1.00 0.00 C ATOM 920 O GLY A 59 9.302 5.503 3.957 1.00 0.00 O ATOM 0 H GLY A 59 10.464 6.668 1.070 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.497 6.680 3.531 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.626 8.201 3.528 1.00 0.00 H new ATOM 924 N GLU A 60 8.334 6.910 2.482 1.00 0.00 N ATOM 925 CA GLU A 60 7.022 6.304 2.575 1.00 0.00 C ATOM 926 C GLU A 60 6.292 6.381 1.233 1.00 0.00 C ATOM 927 O GLU A 60 6.507 7.312 0.467 1.00 0.00 O ATOM 928 CB GLU A 60 6.191 7.072 3.603 1.00 0.00 C ATOM 929 CG GLU A 60 6.794 7.322 4.990 1.00 0.00 C ATOM 930 CD GLU A 60 7.539 8.653 5.061 1.00 0.00 C ATOM 931 OE1 GLU A 60 6.881 9.683 4.782 1.00 0.00 O ATOM 932 OE2 GLU A 60 8.742 8.620 5.397 1.00 0.00 O ATOM 0 H GLU A 60 8.389 7.688 1.824 1.00 0.00 H new ATOM 0 HA GLU A 60 7.145 5.260 2.864 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.941 8.041 3.170 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.254 6.533 3.741 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.000 7.311 5.737 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.478 6.511 5.239 1.00 0.00 H new ATOM 939 N VAL A 61 5.407 5.418 0.991 1.00 0.00 N ATOM 940 CA VAL A 61 4.540 5.297 -0.176 1.00 0.00 C ATOM 941 C VAL A 61 3.376 6.272 0.046 1.00 0.00 C ATOM 942 O VAL A 61 3.286 6.884 1.101 1.00 0.00 O ATOM 943 CB VAL A 61 4.090 3.818 -0.300 1.00 0.00 C ATOM 944 CG1 VAL A 61 2.997 3.542 -1.342 1.00 0.00 C ATOM 945 CG2 VAL A 61 5.307 2.978 -0.706 1.00 0.00 C ATOM 0 H VAL A 61 5.268 4.651 1.649 1.00 0.00 H new ATOM 0 HA VAL A 61 5.033 5.552 -1.114 1.00 0.00 H new ATOM 0 HB VAL A 61 3.671 3.563 0.673 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.758 2.479 -1.346 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.103 4.114 -1.092 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.352 3.837 -2.329 1.00 0.00 H new ATOM 0 HG21 VAL A 61 5.013 1.933 -0.799 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.692 3.333 -1.662 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.083 3.070 0.054 1.00 0.00 H new ATOM 955 N SER A 62 2.458 6.429 -0.901 1.00 0.00 N ATOM 956 CA SER A 62 1.280 7.276 -0.771 1.00 0.00 C ATOM 957 C SER A 62 0.227 6.693 -1.704 1.00 0.00 C ATOM 958 O SER A 62 0.589 5.913 -2.588 1.00 0.00 O ATOM 959 CB SER A 62 1.589 8.737 -1.104 1.00 0.00 C ATOM 960 OG SER A 62 1.956 8.850 -2.460 1.00 0.00 O ATOM 0 H SER A 62 2.515 5.958 -1.804 1.00 0.00 H new ATOM 0 HA SER A 62 0.923 7.286 0.259 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.717 9.358 -0.901 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.395 9.102 -0.468 1.00 0.00 H new ATOM 0 HG SER A 62 2.151 9.787 -2.669 1.00 0.00 H new ATOM 966 N PHE A 63 -1.050 7.050 -1.522 1.00 0.00 N ATOM 967 CA PHE A 63 -2.131 6.556 -2.369 1.00 0.00 C ATOM 968 C PHE A 63 -1.739 6.658 -3.844 1.00 0.00 C ATOM 969 O PHE A 63 -1.953 5.725 -4.614 1.00 0.00 O ATOM 970 CB PHE A 63 -3.451 7.259 -2.058 1.00 0.00 C ATOM 971 CG PHE A 63 -4.598 6.814 -2.946 1.00 0.00 C ATOM 972 CD1 PHE A 63 -5.318 5.656 -2.603 1.00 0.00 C ATOM 973 CD2 PHE A 63 -4.819 7.421 -4.198 1.00 0.00 C ATOM 974 CE1 PHE A 63 -6.387 5.225 -3.411 1.00 0.00 C ATOM 975 CE2 PHE A 63 -5.797 6.902 -5.067 1.00 0.00 C ATOM 976 CZ PHE A 63 -6.661 5.886 -4.620 1.00 0.00 C ATOM 0 H PHE A 63 -1.357 7.686 -0.786 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.293 5.501 -2.149 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.715 7.074 -1.017 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.315 8.335 -2.166 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.051 5.097 -1.719 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.239 8.284 -4.491 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.995 4.388 -3.102 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.884 7.283 -6.074 1.00 0.00 H new ATOM 0 HZ PHE A 63 -7.529 5.616 -5.202 1.00 0.00 H new ATOM 986 N GLU A 64 -1.135 7.792 -4.209 1.00 0.00 N ATOM 987 CA GLU A 64 -0.639 8.105 -5.540 1.00 0.00 C ATOM 988 C GLU A 64 0.062 6.904 -6.179 1.00 0.00 C ATOM 989 O GLU A 64 -0.283 6.469 -7.273 1.00 0.00 O ATOM 990 CB GLU A 64 0.365 9.269 -5.415 1.00 0.00 C ATOM 991 CG GLU A 64 0.698 9.892 -6.778 1.00 0.00 C ATOM 992 CD GLU A 64 -0.517 10.539 -7.437 1.00 0.00 C ATOM 993 OE1 GLU A 64 -1.183 11.336 -6.741 1.00 0.00 O ATOM 994 OE2 GLU A 64 -0.763 10.218 -8.620 1.00 0.00 O ATOM 0 H GLU A 64 -0.974 8.551 -3.547 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.483 8.374 -6.176 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.048 10.034 -4.758 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.281 8.908 -4.948 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.480 10.641 -6.650 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.098 9.122 -7.438 1.00 0.00 H new ATOM 1001 N GLU A 65 1.067 6.380 -5.477 1.00 0.00 N ATOM 1002 CA GLU A 65 1.891 5.282 -5.952 1.00 0.00 C ATOM 1003 C GLU A 65 1.192 3.962 -5.677 1.00 0.00 C ATOM 1004 O GLU A 65 1.305 3.017 -6.451 1.00 0.00 O ATOM 1005 CB GLU A 65 3.292 5.301 -5.321 1.00 0.00 C ATOM 1006 CG GLU A 65 3.609 6.552 -4.497 1.00 0.00 C ATOM 1007 CD GLU A 65 5.107 6.767 -4.303 1.00 0.00 C ATOM 1008 OE1 GLU A 65 5.800 6.923 -5.329 1.00 0.00 O ATOM 1009 OE2 GLU A 65 5.534 6.788 -3.131 1.00 0.00 O ATOM 0 H GLU A 65 1.331 6.715 -4.550 1.00 0.00 H new ATOM 0 HA GLU A 65 2.026 5.400 -7.027 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.399 4.425 -4.681 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.034 5.208 -6.114 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.182 7.425 -4.991 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.129 6.471 -3.522 1.00 0.00 H new ATOM 1016 N PHE A 66 0.458 3.909 -4.565 1.00 0.00 N ATOM 1017 CA PHE A 66 -0.310 2.738 -4.152 1.00 0.00 C ATOM 1018 C PHE A 66 -1.191 2.203 -5.286 1.00 0.00 C ATOM 1019 O PHE A 66 -1.498 1.013 -5.313 1.00 0.00 O ATOM 1020 CB PHE A 66 -1.133 3.069 -2.908 1.00 0.00 C ATOM 1021 CG PHE A 66 -1.834 1.889 -2.281 1.00 0.00 C ATOM 1022 CD1 PHE A 66 -1.165 1.081 -1.345 1.00 0.00 C ATOM 1023 CD2 PHE A 66 -3.159 1.593 -2.651 1.00 0.00 C ATOM 1024 CE1 PHE A 66 -1.834 -0.003 -0.752 1.00 0.00 C ATOM 1025 CE2 PHE A 66 -3.793 0.458 -2.119 1.00 0.00 C ATOM 1026 CZ PHE A 66 -3.145 -0.320 -1.145 1.00 0.00 C ATOM 0 H PHE A 66 0.380 4.692 -3.917 1.00 0.00 H new ATOM 0 HA PHE A 66 0.390 1.940 -3.903 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.476 3.521 -2.165 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.879 3.819 -3.172 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.139 1.293 -1.082 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.686 2.235 -3.341 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.340 -0.593 0.006 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.780 0.183 -2.459 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.654 -1.161 -0.699 1.00 0.00 H new ATOM 1036 N GLN A 67 -1.590 3.052 -6.239 1.00 0.00 N ATOM 1037 CA GLN A 67 -2.373 2.604 -7.386 1.00 0.00 C ATOM 1038 C GLN A 67 -1.672 1.459 -8.132 1.00 0.00 C ATOM 1039 O GLN A 67 -2.330 0.612 -8.734 1.00 0.00 O ATOM 1040 CB GLN A 67 -2.844 3.778 -8.262 1.00 0.00 C ATOM 1041 CG GLN A 67 -3.485 4.897 -7.438 1.00 0.00 C ATOM 1042 CD GLN A 67 -4.534 4.327 -6.499 1.00 0.00 C ATOM 1043 OE1 GLN A 67 -5.642 3.993 -6.900 1.00 0.00 O ATOM 1044 NE2 GLN A 67 -4.198 4.197 -5.229 1.00 0.00 N ATOM 0 H GLN A 67 -1.382 4.051 -6.235 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.302 2.165 -7.022 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.995 4.178 -8.816 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.562 3.415 -8.997 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.719 5.420 -6.864 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -3.942 5.631 -8.102 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.270 4.481 -4.915 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.866 3.812 -4.561 1.00 0.00 H new ATOM 1053 N VAL A 68 -0.340 1.385 -8.060 1.00 0.00 N ATOM 1054 CA VAL A 68 0.402 0.269 -8.623 1.00 0.00 C ATOM 1055 C VAL A 68 -0.096 -1.006 -7.929 1.00 0.00 C ATOM 1056 O VAL A 68 -0.379 -2.000 -8.590 1.00 0.00 O ATOM 1057 CB VAL A 68 1.917 0.482 -8.446 1.00 0.00 C ATOM 1058 CG1 VAL A 68 2.716 -0.752 -8.886 1.00 0.00 C ATOM 1059 CG2 VAL A 68 2.388 1.685 -9.274 1.00 0.00 C ATOM 0 H VAL A 68 0.243 2.092 -7.613 1.00 0.00 H new ATOM 0 HA VAL A 68 0.235 0.184 -9.697 1.00 0.00 H new ATOM 0 HB VAL A 68 2.093 0.661 -7.385 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.781 -0.565 -8.747 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.417 -1.612 -8.286 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.518 -0.957 -9.938 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.461 1.823 -9.138 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.175 1.507 -10.328 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.863 2.581 -8.945 1.00 0.00 H new ATOM 1069 N LEU A 69 -0.245 -0.995 -6.598 1.00 0.00 N ATOM 1070 CA LEU A 69 -0.747 -2.167 -5.895 1.00 0.00 C ATOM 1071 C LEU A 69 -2.213 -2.386 -6.259 1.00 0.00 C ATOM 1072 O LEU A 69 -2.614 -3.530 -6.461 1.00 0.00 O ATOM 1073 CB LEU A 69 -0.547 -2.089 -4.383 1.00 0.00 C ATOM 1074 CG LEU A 69 -0.872 -3.467 -3.774 1.00 0.00 C ATOM 1075 CD1 LEU A 69 0.354 -4.038 -3.063 1.00 0.00 C ATOM 1076 CD2 LEU A 69 -2.087 -3.384 -2.853 1.00 0.00 C ATOM 0 H LEU A 69 -0.027 -0.198 -6.000 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.162 -3.027 -6.219 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.480 -1.805 -4.151 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.194 -1.324 -3.954 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.132 -4.154 -4.579 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.108 -5.011 -2.638 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.170 -4.149 -3.777 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.660 -3.361 -2.265 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.296 -4.369 -2.436 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.883 -2.683 -2.043 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.951 -3.040 -3.421 1.00 0.00 H new ATOM 1088 N VAL A 70 -3.008 -1.312 -6.366 1.00 0.00 N ATOM 1089 CA VAL A 70 -4.402 -1.433 -6.803 1.00 0.00 C ATOM 1090 C VAL A 70 -4.433 -2.240 -8.106 1.00 0.00 C ATOM 1091 O VAL A 70 -5.320 -3.061 -8.306 1.00 0.00 O ATOM 1092 CB VAL A 70 -5.097 -0.068 -6.951 1.00 0.00 C ATOM 1093 CG1 VAL A 70 -6.526 -0.229 -7.485 1.00 0.00 C ATOM 1094 CG2 VAL A 70 -5.139 0.657 -5.601 1.00 0.00 C ATOM 0 H VAL A 70 -2.711 -0.359 -6.158 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.970 -1.958 -6.035 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.521 0.521 -7.665 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.992 0.752 -7.579 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.497 -0.712 -8.462 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.106 -0.841 -6.794 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.633 1.621 -5.721 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.691 0.053 -4.881 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.122 0.813 -5.240 1.00 0.00 H new ATOM 1104 N LYS A 71 -3.453 -2.030 -8.988 1.00 0.00 N ATOM 1105 CA LYS A 71 -3.343 -2.827 -10.194 1.00 0.00 C ATOM 1106 C LYS A 71 -2.841 -4.240 -9.852 1.00 0.00 C ATOM 1107 O LYS A 71 -3.381 -5.214 -10.382 1.00 0.00 O ATOM 1108 CB LYS A 71 -2.437 -2.128 -11.220 1.00 0.00 C ATOM 1109 CG LYS A 71 -2.340 -2.926 -12.527 1.00 0.00 C ATOM 1110 CD LYS A 71 -1.466 -2.187 -13.547 1.00 0.00 C ATOM 1111 CE LYS A 71 -1.155 -3.069 -14.764 1.00 0.00 C ATOM 1112 NZ LYS A 71 -2.378 -3.496 -15.466 1.00 0.00 N ATOM 0 H LYS A 71 -2.732 -1.317 -8.883 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.329 -2.928 -10.648 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.826 -1.132 -11.430 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.441 -1.999 -10.797 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.920 -3.912 -12.327 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.337 -3.082 -12.939 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.974 -1.280 -13.874 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.535 -1.877 -13.073 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.514 -2.521 -15.454 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.597 -3.948 -14.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.120 -4.003 -16.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.930 -4.126 -14.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.949 -2.661 -15.708 1.00 0.00 H new ATOM 1126 N LYS A 72 -1.817 -4.400 -8.998 1.00 0.00 N ATOM 1127 CA LYS A 72 -1.248 -5.693 -8.740 1.00 0.00 C ATOM 1128 C LYS A 72 -2.177 -6.679 -8.033 1.00 0.00 C ATOM 1129 O LYS A 72 -2.025 -7.886 -8.209 1.00 0.00 O ATOM 1130 CB LYS A 72 0.095 -5.596 -8.045 1.00 0.00 C ATOM 1131 CG LYS A 72 1.121 -4.667 -8.714 1.00 0.00 C ATOM 1132 CD LYS A 72 2.509 -5.308 -8.867 1.00 0.00 C ATOM 1133 CE LYS A 72 3.287 -5.447 -7.548 1.00 0.00 C ATOM 1134 NZ LYS A 72 2.672 -6.413 -6.622 1.00 0.00 N ATOM 0 H LYS A 72 -1.379 -3.636 -8.483 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.091 -6.119 -9.731 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.068 -5.253 -7.023 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.524 -6.596 -7.980 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.752 -4.377 -9.698 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.212 -3.754 -8.126 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.394 -6.296 -9.314 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.098 -4.710 -9.562 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.309 -5.759 -7.765 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.347 -4.473 -7.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.358 -6.672 -5.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.833 -5.985 -6.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.390 -7.266 -7.147 1.00 0.00 H new ATOM 1148 N ILE A 73 -3.140 -6.207 -7.241 1.00 0.00 N ATOM 1149 CA ILE A 73 -4.067 -7.128 -6.584 1.00 0.00 C ATOM 1150 C ILE A 73 -4.853 -7.918 -7.638 1.00 0.00 C ATOM 1151 O ILE A 73 -5.234 -9.059 -7.402 1.00 0.00 O ATOM 1152 CB ILE A 73 -5.007 -6.400 -5.619 1.00 0.00 C ATOM 1153 CG1 ILE A 73 -5.646 -5.178 -6.283 1.00 0.00 C ATOM 1154 CG2 ILE A 73 -4.252 -5.987 -4.350 1.00 0.00 C ATOM 1155 CD1 ILE A 73 -7.007 -4.849 -5.686 1.00 0.00 C ATOM 0 H ILE A 73 -3.297 -5.219 -7.042 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.484 -7.827 -5.985 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.807 -7.088 -5.345 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.985 -4.319 -6.173 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.754 -5.362 -7.352 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.933 -5.471 -3.673 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.855 -6.875 -3.858 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.431 -5.322 -4.616 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.423 -3.975 -6.188 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.678 -5.698 -5.820 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.896 -4.638 -4.622 1.00 0.00 H new ATOM 1167 N SER A 74 -5.064 -7.328 -8.818 1.00 0.00 N ATOM 1168 CA SER A 74 -5.714 -7.950 -9.956 1.00 0.00 C ATOM 1169 C SER A 74 -4.607 -8.432 -10.899 1.00 0.00 C ATOM 1170 O SER A 74 -4.749 -8.384 -12.117 1.00 0.00 O ATOM 1171 CB SER A 74 -6.633 -6.909 -10.610 1.00 0.00 C ATOM 1172 OG SER A 74 -6.061 -5.612 -10.560 1.00 0.00 O ATOM 0 H SER A 74 -4.773 -6.369 -9.005 1.00 0.00 H new ATOM 0 HA SER A 74 -6.331 -8.805 -9.679 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.820 -7.187 -11.647 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.598 -6.903 -10.103 1.00 0.00 H new ATOM 0 HG SER A 74 -5.088 -5.680 -10.657 1.00 0.00 H new ATOM 1178 N GLN A 75 -3.478 -8.872 -10.341 1.00 0.00 N ATOM 1179 CA GLN A 75 -2.303 -9.327 -11.069 1.00 0.00 C ATOM 1180 C GLN A 75 -1.657 -10.495 -10.326 1.00 0.00 C ATOM 1181 O GLN A 75 -2.317 -11.197 -9.562 1.00 0.00 O ATOM 1182 CB GLN A 75 -1.333 -8.140 -11.204 1.00 0.00 C ATOM 1183 CG GLN A 75 -0.601 -8.104 -12.551 1.00 0.00 C ATOM 1184 CD GLN A 75 -1.355 -7.315 -13.630 1.00 0.00 C ATOM 1185 OE1 GLN A 75 -0.748 -6.763 -14.536 1.00 0.00 O ATOM 1186 NE2 GLN A 75 -2.676 -7.217 -13.572 1.00 0.00 N ATOM 0 H GLN A 75 -3.357 -8.921 -9.329 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.575 -9.680 -12.064 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.887 -7.210 -11.075 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -0.598 -8.187 -10.400 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.385 -7.661 -12.409 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -0.445 -9.125 -12.899 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -3.189 -7.675 -12.819 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -3.179 -6.683 -14.281 1.00 0.00 H new TER 1195 GLN A 75