USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 824 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 THR OG1 : rot 180:sc= 0.421 USER MOD Set 1.2: A 16 SER OG : rot 180:sc= -0.276 USER MOD Set 1.3: A 20 ASN : amide:sc= -2.68! K(o=-2.5!,f=1.8) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot -77:sc= 0.161 USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.0123 X(o=-0.012,f=-0.063) USER MOD Single : A 40 CYS SG : rot 130:sc= -0.241 USER MOD Single : A 41 LYS NZ :NH3+ -115:sc= -0.925 (180deg=-2.64!) USER MOD Single : A 42 ASN : amide:sc=-0.00317 K(o=-0.0032,f=-2.4) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -3.58! K(o=-3.6!,f=-1) USER MOD Single : A 58 THR OG1 : rot -73:sc= 1.7 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 178:sc= 0.704 (180deg=0.703) USER MOD Single : A 63 LYS NZ :NH3+ -155:sc= -2.53 (180deg=-3.91!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -2.54 K(o=-2.5,f=-9.9!) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 99:sc= 0.998 USER MOD Single : A 86 THR OG1 : rot 39:sc= 0.699 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 92 LYS NZ :NH3+ -128:sc= 0.851 (180deg=-0.155) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot -36:sc= 0.0833 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 ASN : amide:sc= -0.0597 X(o=-0.06,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 -6.667 5.626 4.449 1.00 0.00 N ATOM 67 CA ASP A 8 -6.556 6.091 3.071 1.00 0.00 C ATOM 68 C ASP A 8 -5.965 5.004 2.177 1.00 0.00 C ATOM 69 O ASP A 8 -5.132 5.280 1.314 1.00 0.00 O ATOM 70 CB ASP A 8 -5.690 7.350 3.003 1.00 0.00 C ATOM 71 CG ASP A 8 -5.484 7.835 1.582 1.00 0.00 C ATOM 72 OD1 ASP A 8 -6.437 8.399 1.003 1.00 0.00 O ATOM 73 OD2 ASP A 8 -4.370 7.653 1.048 1.00 0.00 O ATOM 0 HA ASP A 8 -7.557 6.328 2.712 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.157 8.141 3.590 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.721 7.146 3.458 1.00 0.00 H new ATOM 78 N VAL A 9 -6.402 3.767 2.392 1.00 0.00 N ATOM 79 CA VAL A 9 -5.917 2.639 1.606 1.00 0.00 C ATOM 80 C VAL A 9 -6.578 2.601 0.232 1.00 0.00 C ATOM 81 O VAL A 9 -7.802 2.517 0.123 1.00 0.00 O ATOM 82 CB VAL A 9 -6.177 1.302 2.325 1.00 0.00 C ATOM 83 CG1 VAL A 9 -5.461 0.164 1.613 1.00 0.00 C ATOM 84 CG2 VAL A 9 -5.743 1.387 3.780 1.00 0.00 C ATOM 0 H VAL A 9 -7.090 3.521 3.103 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.842 2.776 1.485 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.247 1.098 2.300 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.657 -0.772 2.136 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.824 0.090 0.588 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.388 0.358 1.605 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.934 0.434 4.273 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.678 1.614 3.829 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.306 2.174 4.282 1.00 0.00 H new ATOM 94 N ILE A 10 -5.760 2.664 -0.813 1.00 0.00 N ATOM 95 CA ILE A 10 -6.265 2.635 -2.180 1.00 0.00 C ATOM 96 C ILE A 10 -6.149 1.238 -2.780 1.00 0.00 C ATOM 97 O ILE A 10 -5.084 0.623 -2.744 1.00 0.00 O ATOM 98 CB ILE A 10 -5.511 3.632 -3.080 1.00 0.00 C ATOM 99 CG1 ILE A 10 -5.764 5.067 -2.613 1.00 0.00 C ATOM 100 CG2 ILE A 10 -5.933 3.460 -4.531 1.00 0.00 C ATOM 101 CD1 ILE A 10 -4.848 6.083 -3.257 1.00 0.00 C ATOM 0 H ILE A 10 -4.745 2.735 -0.739 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.316 2.922 -2.134 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.443 3.429 -3.006 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.798 5.334 -2.830 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.642 5.115 -1.531 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.391 4.172 -5.154 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.706 2.445 -4.858 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -7.004 3.640 -4.622 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.085 7.078 -2.879 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.812 5.841 -3.019 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.986 6.064 -4.338 1.00 0.00 H new ATOM 113 N GLU A 11 -7.253 0.744 -3.333 1.00 0.00 N ATOM 114 CA GLU A 11 -7.274 -0.581 -3.942 1.00 0.00 C ATOM 115 C GLU A 11 -6.947 -0.501 -5.430 1.00 0.00 C ATOM 116 O GLU A 11 -7.634 0.181 -6.192 1.00 0.00 O ATOM 117 CB GLU A 11 -8.642 -1.236 -3.743 1.00 0.00 C ATOM 118 CG GLU A 11 -8.794 -2.562 -4.470 1.00 0.00 C ATOM 119 CD GLU A 11 -10.130 -3.225 -4.201 1.00 0.00 C ATOM 120 OE1 GLU A 11 -11.109 -2.892 -4.901 1.00 0.00 O ATOM 121 OE2 GLU A 11 -10.198 -4.078 -3.291 1.00 0.00 O ATOM 0 H GLU A 11 -8.143 1.241 -3.372 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.513 -1.190 -3.453 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.808 -1.394 -2.677 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.417 -0.551 -4.088 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.683 -2.399 -5.542 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.991 -3.233 -4.165 1.00 0.00 H new ATOM 128 N LEU A 12 -5.895 -1.202 -5.837 1.00 0.00 N ATOM 129 CA LEU A 12 -5.475 -1.210 -7.234 1.00 0.00 C ATOM 130 C LEU A 12 -5.565 -2.615 -7.821 1.00 0.00 C ATOM 131 O LEU A 12 -5.441 -3.609 -7.104 1.00 0.00 O ATOM 132 CB LEU A 12 -4.045 -0.683 -7.361 1.00 0.00 C ATOM 133 CG LEU A 12 -3.797 0.723 -6.813 1.00 0.00 C ATOM 134 CD1 LEU A 12 -2.306 0.998 -6.703 1.00 0.00 C ATOM 135 CD2 LEU A 12 -4.470 1.766 -7.693 1.00 0.00 C ATOM 0 H LEU A 12 -5.317 -1.772 -5.220 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.146 -0.558 -7.793 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.377 -1.375 -6.847 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.767 -0.695 -8.415 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.231 0.784 -5.815 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.149 2.003 -6.311 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.851 0.271 -6.030 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.847 0.917 -7.689 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.282 2.760 -7.287 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.066 1.705 -8.704 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.544 1.582 -7.719 1.00 0.00 H new ATOM 147 N THR A 13 -5.779 -2.692 -9.131 1.00 0.00 N ATOM 148 CA THR A 13 -5.884 -3.975 -9.814 1.00 0.00 C ATOM 149 C THR A 13 -4.585 -4.325 -10.530 1.00 0.00 C ATOM 150 O THR A 13 -3.591 -3.605 -10.420 1.00 0.00 O ATOM 151 CB THR A 13 -7.036 -3.974 -10.837 1.00 0.00 C ATOM 152 OG1 THR A 13 -6.854 -2.910 -11.778 1.00 0.00 O ATOM 153 CG2 THR A 13 -8.379 -3.817 -10.140 1.00 0.00 C ATOM 0 H THR A 13 -5.883 -1.880 -9.740 1.00 0.00 H new ATOM 0 HA THR A 13 -6.087 -4.724 -9.049 1.00 0.00 H new ATOM 0 HB THR A 13 -7.027 -4.929 -11.362 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.589 -2.917 -12.426 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.177 -3.819 -10.883 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.527 -4.644 -9.446 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.396 -2.875 -9.592 1.00 0.00 H new ATOM 161 N ASP A 14 -4.598 -5.432 -11.263 1.00 0.00 N ATOM 162 CA ASP A 14 -3.420 -5.876 -11.999 1.00 0.00 C ATOM 163 C ASP A 14 -3.266 -5.096 -13.301 1.00 0.00 C ATOM 164 O ASP A 14 -2.262 -5.229 -14.001 1.00 0.00 O ATOM 165 CB ASP A 14 -3.512 -7.374 -12.296 1.00 0.00 C ATOM 166 CG ASP A 14 -4.746 -7.730 -13.101 1.00 0.00 C ATOM 167 OD1 ASP A 14 -5.828 -7.182 -12.803 1.00 0.00 O ATOM 168 OD2 ASP A 14 -4.630 -8.555 -14.031 1.00 0.00 O ATOM 0 H ASP A 14 -5.412 -6.039 -11.364 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.543 -5.689 -11.379 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.623 -7.688 -12.842 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.522 -7.928 -11.357 1.00 0.00 H new ATOM 173 N ASP A 15 -4.267 -4.283 -13.619 1.00 0.00 N ATOM 174 CA ASP A 15 -4.243 -3.481 -14.837 1.00 0.00 C ATOM 175 C ASP A 15 -4.095 -1.999 -14.509 1.00 0.00 C ATOM 176 O ASP A 15 -3.196 -1.328 -15.016 1.00 0.00 O ATOM 177 CB ASP A 15 -5.519 -3.711 -15.649 1.00 0.00 C ATOM 178 CG ASP A 15 -5.495 -2.987 -16.981 1.00 0.00 C ATOM 179 OD1 ASP A 15 -4.888 -3.517 -17.935 1.00 0.00 O ATOM 180 OD2 ASP A 15 -6.086 -1.890 -17.069 1.00 0.00 O ATOM 0 H ASP A 15 -5.105 -4.162 -13.051 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.383 -3.791 -15.430 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.649 -4.779 -15.822 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.380 -3.374 -15.071 1.00 0.00 H new ATOM 185 N SER A 16 -4.982 -1.495 -13.657 1.00 0.00 N ATOM 186 CA SER A 16 -4.953 -0.091 -13.265 1.00 0.00 C ATOM 187 C SER A 16 -3.681 0.229 -12.486 1.00 0.00 C ATOM 188 O SER A 16 -3.147 1.335 -12.572 1.00 0.00 O ATOM 189 CB SER A 16 -6.181 0.250 -12.419 1.00 0.00 C ATOM 190 OG SER A 16 -5.930 0.029 -11.042 1.00 0.00 O ATOM 0 H SER A 16 -5.730 -2.038 -13.225 1.00 0.00 H new ATOM 0 HA SER A 16 -4.966 0.514 -14.172 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.458 1.292 -12.578 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.027 -0.358 -12.740 1.00 0.00 H new ATOM 0 HG SER A 16 -6.730 0.256 -10.523 1.00 0.00 H new ATOM 196 N PHE A 17 -3.199 -0.748 -11.724 1.00 0.00 N ATOM 197 CA PHE A 17 -1.991 -0.572 -10.928 1.00 0.00 C ATOM 198 C PHE A 17 -0.932 0.201 -11.709 1.00 0.00 C ATOM 199 O PHE A 17 -0.235 1.052 -11.157 1.00 0.00 O ATOM 200 CB PHE A 17 -1.433 -1.931 -10.500 1.00 0.00 C ATOM 201 CG PHE A 17 0.014 -1.887 -10.101 1.00 0.00 C ATOM 202 CD1 PHE A 17 1.001 -1.666 -11.049 1.00 0.00 C ATOM 203 CD2 PHE A 17 0.388 -2.067 -8.779 1.00 0.00 C ATOM 204 CE1 PHE A 17 2.333 -1.626 -10.684 1.00 0.00 C ATOM 205 CE2 PHE A 17 1.719 -2.028 -8.409 1.00 0.00 C ATOM 206 CZ PHE A 17 2.693 -1.806 -9.363 1.00 0.00 C ATOM 0 H PHE A 17 -3.627 -1.670 -11.642 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.253 0.002 -10.039 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.021 -2.309 -9.663 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.554 -2.639 -11.320 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.726 -1.524 -12.084 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.370 -2.240 -8.029 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.093 -1.454 -11.432 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.997 -2.171 -7.375 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.734 -1.773 -9.076 1.00 0.00 H new ATOM 216 N ASP A 18 -0.819 -0.102 -12.998 1.00 0.00 N ATOM 217 CA ASP A 18 0.154 0.564 -13.857 1.00 0.00 C ATOM 218 C ASP A 18 -0.382 1.905 -14.347 1.00 0.00 C ATOM 219 O ASP A 18 0.383 2.833 -14.612 1.00 0.00 O ATOM 220 CB ASP A 18 0.505 -0.326 -15.050 1.00 0.00 C ATOM 221 CG ASP A 18 1.195 -1.610 -14.633 1.00 0.00 C ATOM 222 OD1 ASP A 18 2.230 -1.528 -13.940 1.00 0.00 O ATOM 223 OD2 ASP A 18 0.699 -2.696 -15.000 1.00 0.00 O ATOM 0 H ASP A 18 -1.389 -0.804 -13.471 1.00 0.00 H new ATOM 0 HA ASP A 18 1.055 0.746 -13.271 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.405 -0.568 -15.599 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.152 0.225 -15.733 1.00 0.00 H new ATOM 228 N LYS A 19 -1.702 2.001 -14.466 1.00 0.00 N ATOM 229 CA LYS A 19 -2.342 3.229 -14.923 1.00 0.00 C ATOM 230 C LYS A 19 -2.486 4.227 -13.779 1.00 0.00 C ATOM 231 O LYS A 19 -2.857 5.380 -13.992 1.00 0.00 O ATOM 232 CB LYS A 19 -3.717 2.919 -15.520 1.00 0.00 C ATOM 233 CG LYS A 19 -3.722 1.713 -16.443 1.00 0.00 C ATOM 234 CD LYS A 19 -3.410 2.107 -17.877 1.00 0.00 C ATOM 235 CE LYS A 19 -3.165 0.885 -18.750 1.00 0.00 C ATOM 236 NZ LYS A 19 -4.435 0.318 -19.281 1.00 0.00 N ATOM 0 H LYS A 19 -2.350 1.243 -14.252 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.710 3.674 -15.692 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.426 2.748 -14.709 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.069 3.790 -16.073 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.988 0.986 -16.097 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.697 1.226 -16.402 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.238 2.687 -18.285 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.531 2.751 -17.895 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.514 1.157 -19.581 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.642 0.124 -18.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.225 -0.513 -19.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.047 0.035 -18.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.922 1.035 -19.855 1.00 0.00 H new ATOM 250 N ASN A 20 -2.189 3.775 -12.565 1.00 0.00 N ATOM 251 CA ASN A 20 -2.285 4.629 -11.387 1.00 0.00 C ATOM 252 C ASN A 20 -0.900 5.047 -10.904 1.00 0.00 C ATOM 253 O ASN A 20 -0.685 6.197 -10.521 1.00 0.00 O ATOM 254 CB ASN A 20 -3.031 3.904 -10.265 1.00 0.00 C ATOM 255 CG ASN A 20 -4.519 3.797 -10.535 1.00 0.00 C ATOM 256 OD1 ASN A 20 -5.267 4.756 -10.347 1.00 0.00 O ATOM 257 ND2 ASN A 20 -4.956 2.624 -10.979 1.00 0.00 N ATOM 0 H ASN A 20 -1.880 2.822 -12.371 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.840 5.525 -11.663 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.614 2.904 -10.142 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.872 4.433 -9.326 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -5.947 2.491 -11.178 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.300 1.856 -11.121 1.00 0.00 H new ATOM 264 N VAL A 21 0.038 4.105 -10.926 1.00 0.00 N ATOM 265 CA VAL A 21 1.404 4.376 -10.493 1.00 0.00 C ATOM 266 C VAL A 21 2.232 4.973 -11.625 1.00 0.00 C ATOM 267 O VAL A 21 2.662 6.125 -11.554 1.00 0.00 O ATOM 268 CB VAL A 21 2.095 3.096 -9.986 1.00 0.00 C ATOM 269 CG1 VAL A 21 3.570 3.356 -9.721 1.00 0.00 C ATOM 270 CG2 VAL A 21 1.403 2.577 -8.735 1.00 0.00 C ATOM 0 H VAL A 21 -0.123 3.148 -11.239 1.00 0.00 H new ATOM 0 HA VAL A 21 1.341 5.095 -9.676 1.00 0.00 H new ATOM 0 HB VAL A 21 2.018 2.331 -10.759 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.042 2.441 -9.363 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.054 3.678 -10.643 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.672 4.136 -8.966 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.904 1.672 -8.391 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.447 3.336 -7.954 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.361 2.350 -8.963 1.00 0.00 H new ATOM 280 N LEU A 22 2.451 4.184 -12.671 1.00 0.00 N ATOM 281 CA LEU A 22 3.228 4.635 -13.820 1.00 0.00 C ATOM 282 C LEU A 22 2.626 5.901 -14.421 1.00 0.00 C ATOM 283 O LEU A 22 3.340 6.735 -14.978 1.00 0.00 O ATOM 284 CB LEU A 22 3.291 3.534 -14.881 1.00 0.00 C ATOM 285 CG LEU A 22 3.600 2.126 -14.370 1.00 0.00 C ATOM 286 CD1 LEU A 22 3.935 1.200 -15.528 1.00 0.00 C ATOM 287 CD2 LEU A 22 4.742 2.162 -13.365 1.00 0.00 C ATOM 0 H LEU A 22 2.101 3.229 -12.747 1.00 0.00 H new ATOM 0 HA LEU A 22 4.238 4.861 -13.479 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.336 3.507 -15.405 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.049 3.807 -15.615 1.00 0.00 H new ATOM 0 HG LEU A 22 2.713 1.739 -13.868 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.152 0.203 -15.145 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.087 1.150 -16.211 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.807 1.582 -16.059 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.948 1.152 -13.012 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.634 2.569 -13.842 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.463 2.792 -12.520 1.00 0.00 H new ATOM 299 N ASP A 23 1.310 6.039 -14.301 1.00 0.00 N ATOM 300 CA ASP A 23 0.613 7.206 -14.829 1.00 0.00 C ATOM 301 C ASP A 23 0.709 8.381 -13.861 1.00 0.00 C ATOM 302 O ASP A 23 0.058 9.408 -14.050 1.00 0.00 O ATOM 303 CB ASP A 23 -0.855 6.870 -15.099 1.00 0.00 C ATOM 304 CG ASP A 23 -1.433 7.680 -16.243 1.00 0.00 C ATOM 305 OD1 ASP A 23 -1.454 8.924 -16.137 1.00 0.00 O ATOM 306 OD2 ASP A 23 -1.867 7.071 -17.243 1.00 0.00 O ATOM 0 H ASP A 23 0.705 5.358 -13.843 1.00 0.00 H new ATOM 0 HA ASP A 23 1.091 7.491 -15.766 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.946 5.808 -15.327 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.439 7.053 -14.197 1.00 0.00 H new ATOM 311 N SER A 24 1.524 8.220 -12.824 1.00 0.00 N ATOM 312 CA SER A 24 1.702 9.266 -11.823 1.00 0.00 C ATOM 313 C SER A 24 3.174 9.419 -11.453 1.00 0.00 C ATOM 314 O SER A 24 3.897 8.432 -11.320 1.00 0.00 O ATOM 315 CB SER A 24 0.880 8.949 -10.572 1.00 0.00 C ATOM 316 OG SER A 24 0.836 10.061 -9.695 1.00 0.00 O ATOM 0 H SER A 24 2.071 7.376 -12.655 1.00 0.00 H new ATOM 0 HA SER A 24 1.353 10.206 -12.250 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.133 8.669 -10.860 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.313 8.092 -10.056 1.00 0.00 H new ATOM 0 HG SER A 24 0.303 9.833 -8.904 1.00 0.00 H new ATOM 322 N GLU A 25 3.610 10.664 -11.288 1.00 0.00 N ATOM 323 CA GLU A 25 4.996 10.947 -10.935 1.00 0.00 C ATOM 324 C GLU A 25 5.161 11.049 -9.421 1.00 0.00 C ATOM 325 O GLU A 25 5.967 11.837 -8.926 1.00 0.00 O ATOM 326 CB GLU A 25 5.460 12.246 -11.598 1.00 0.00 C ATOM 327 CG GLU A 25 6.029 12.047 -12.993 1.00 0.00 C ATOM 328 CD GLU A 25 7.519 11.767 -12.981 1.00 0.00 C ATOM 329 OE1 GLU A 25 8.021 11.273 -11.950 1.00 0.00 O ATOM 330 OE2 GLU A 25 8.183 12.041 -14.003 1.00 0.00 O ATOM 0 H GLU A 25 3.024 11.492 -11.393 1.00 0.00 H new ATOM 0 HA GLU A 25 5.612 10.123 -11.296 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.619 12.937 -11.653 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.217 12.715 -10.969 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.511 11.219 -13.478 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.835 12.938 -13.591 1.00 0.00 H new ATOM 337 N ASP A 26 4.392 10.248 -8.693 1.00 0.00 N ATOM 338 CA ASP A 26 4.453 10.247 -7.236 1.00 0.00 C ATOM 339 C ASP A 26 4.767 8.851 -6.706 1.00 0.00 C ATOM 340 O ASP A 26 4.540 7.851 -7.388 1.00 0.00 O ATOM 341 CB ASP A 26 3.131 10.743 -6.648 1.00 0.00 C ATOM 342 CG ASP A 26 2.939 12.235 -6.833 1.00 0.00 C ATOM 343 OD1 ASP A 26 2.416 12.640 -7.892 1.00 0.00 O ATOM 344 OD2 ASP A 26 3.314 12.999 -5.918 1.00 0.00 O ATOM 0 H ASP A 26 3.719 9.591 -9.087 1.00 0.00 H new ATOM 0 HA ASP A 26 5.253 10.921 -6.931 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.305 10.212 -7.120 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.097 10.504 -5.585 1.00 0.00 H new ATOM 349 N VAL A 27 5.291 8.791 -5.486 1.00 0.00 N ATOM 350 CA VAL A 27 5.637 7.518 -4.865 1.00 0.00 C ATOM 351 C VAL A 27 4.386 6.737 -4.478 1.00 0.00 C ATOM 352 O VAL A 27 3.523 7.243 -3.760 1.00 0.00 O ATOM 353 CB VAL A 27 6.508 7.723 -3.611 1.00 0.00 C ATOM 354 CG1 VAL A 27 6.837 6.386 -2.964 1.00 0.00 C ATOM 355 CG2 VAL A 27 7.778 8.482 -3.964 1.00 0.00 C ATOM 0 H VAL A 27 5.485 9.609 -4.908 1.00 0.00 H new ATOM 0 HA VAL A 27 6.203 6.950 -5.603 1.00 0.00 H new ATOM 0 HB VAL A 27 5.945 8.317 -2.891 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.453 6.551 -2.080 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.913 5.885 -2.674 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.381 5.762 -3.674 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.382 8.618 -3.067 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.347 7.916 -4.702 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.517 9.456 -4.377 1.00 0.00 H new ATOM 365 N TRP A 28 4.293 5.503 -4.959 1.00 0.00 N ATOM 366 CA TRP A 28 3.147 4.651 -4.664 1.00 0.00 C ATOM 367 C TRP A 28 3.576 3.409 -3.891 1.00 0.00 C ATOM 368 O TRP A 28 4.260 2.538 -4.429 1.00 0.00 O ATOM 369 CB TRP A 28 2.441 4.243 -5.958 1.00 0.00 C ATOM 370 CG TRP A 28 1.489 5.282 -6.469 1.00 0.00 C ATOM 371 CD1 TRP A 28 1.787 6.341 -7.278 1.00 0.00 C ATOM 372 CD2 TRP A 28 0.084 5.362 -6.202 1.00 0.00 C ATOM 373 NE1 TRP A 28 0.653 7.074 -7.530 1.00 0.00 N ATOM 374 CE2 TRP A 28 -0.405 6.494 -6.882 1.00 0.00 C ATOM 375 CE3 TRP A 28 -0.807 4.586 -5.456 1.00 0.00 C ATOM 376 CZ2 TRP A 28 -1.746 6.867 -6.837 1.00 0.00 C ATOM 377 CZ3 TRP A 28 -2.137 4.959 -5.412 1.00 0.00 C ATOM 378 CH2 TRP A 28 -2.597 6.090 -6.099 1.00 0.00 C ATOM 0 H TRP A 28 4.998 5.070 -5.555 1.00 0.00 H new ATOM 0 HA TRP A 28 2.454 5.220 -4.044 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.190 4.039 -6.723 1.00 0.00 H new ATOM 0 HB3 TRP A 28 1.897 3.314 -5.789 1.00 0.00 H new ATOM 0 HD1 TRP A 28 2.770 6.569 -7.663 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.606 7.914 -8.106 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.463 3.711 -4.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.102 7.739 -7.366 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -2.835 4.368 -4.837 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.643 6.354 -6.045 1.00 0.00 H new ATOM 389 N MET A 29 3.170 3.333 -2.628 1.00 0.00 N ATOM 390 CA MET A 29 3.513 2.195 -1.783 1.00 0.00 C ATOM 391 C MET A 29 2.518 1.055 -1.977 1.00 0.00 C ATOM 392 O MET A 29 1.424 1.069 -1.414 1.00 0.00 O ATOM 393 CB MET A 29 3.543 2.616 -0.312 1.00 0.00 C ATOM 394 CG MET A 29 4.880 3.188 0.129 1.00 0.00 C ATOM 395 SD MET A 29 4.943 3.520 1.900 1.00 0.00 S ATOM 396 CE MET A 29 6.348 2.518 2.382 1.00 0.00 C ATOM 0 H MET A 29 2.604 4.045 -2.167 1.00 0.00 H new ATOM 0 HA MET A 29 4.503 1.843 -2.073 1.00 0.00 H new ATOM 0 HB2 MET A 29 2.764 3.359 -0.139 1.00 0.00 H new ATOM 0 HB3 MET A 29 3.304 1.753 0.309 1.00 0.00 H new ATOM 0 HG2 MET A 29 5.674 2.489 -0.134 1.00 0.00 H new ATOM 0 HG3 MET A 29 5.074 4.111 -0.417 1.00 0.00 H new ATOM 0 HE1 MET A 29 6.515 2.618 3.455 1.00 0.00 H new ATOM 0 HE2 MET A 29 6.150 1.474 2.141 1.00 0.00 H new ATOM 0 HE3 MET A 29 7.235 2.852 1.844 1.00 0.00 H new ATOM 406 N VAL A 30 2.906 0.067 -2.778 1.00 0.00 N ATOM 407 CA VAL A 30 2.049 -1.081 -3.046 1.00 0.00 C ATOM 408 C VAL A 30 2.286 -2.192 -2.029 1.00 0.00 C ATOM 409 O VAL A 30 3.390 -2.723 -1.922 1.00 0.00 O ATOM 410 CB VAL A 30 2.284 -1.638 -4.463 1.00 0.00 C ATOM 411 CG1 VAL A 30 1.450 -2.890 -4.690 1.00 0.00 C ATOM 412 CG2 VAL A 30 1.970 -0.581 -5.510 1.00 0.00 C ATOM 0 H VAL A 30 3.809 0.039 -3.252 1.00 0.00 H new ATOM 0 HA VAL A 30 1.019 -0.733 -2.967 1.00 0.00 H new ATOM 0 HB VAL A 30 3.336 -1.909 -4.558 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.629 -3.269 -5.696 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.729 -3.650 -3.961 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.393 -2.649 -4.576 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.142 -0.992 -6.505 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.927 -0.276 -5.418 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.616 0.284 -5.359 1.00 0.00 H new ATOM 422 N GLU A 31 1.240 -2.539 -1.286 1.00 0.00 N ATOM 423 CA GLU A 31 1.334 -3.587 -0.277 1.00 0.00 C ATOM 424 C GLU A 31 0.390 -4.742 -0.601 1.00 0.00 C ATOM 425 O GLU A 31 -0.821 -4.553 -0.721 1.00 0.00 O ATOM 426 CB GLU A 31 1.011 -3.024 1.108 1.00 0.00 C ATOM 427 CG GLU A 31 0.689 -4.092 2.140 1.00 0.00 C ATOM 428 CD GLU A 31 -0.717 -4.639 1.994 1.00 0.00 C ATOM 429 OE1 GLU A 31 -1.662 -3.991 2.490 1.00 0.00 O ATOM 430 OE2 GLU A 31 -0.873 -5.717 1.383 1.00 0.00 O ATOM 0 H GLU A 31 0.318 -2.110 -1.364 1.00 0.00 H new ATOM 0 HA GLU A 31 2.356 -3.965 -0.278 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.859 -2.436 1.459 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.164 -2.343 1.026 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.404 -4.909 2.047 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.810 -3.674 3.140 1.00 0.00 H new ATOM 437 N PHE A 32 0.954 -5.937 -0.744 1.00 0.00 N ATOM 438 CA PHE A 32 0.164 -7.122 -1.056 1.00 0.00 C ATOM 439 C PHE A 32 -0.169 -7.903 0.211 1.00 0.00 C ATOM 440 O PHE A 32 0.719 -8.259 0.986 1.00 0.00 O ATOM 441 CB PHE A 32 0.919 -8.020 -2.039 1.00 0.00 C ATOM 442 CG PHE A 32 1.365 -7.305 -3.282 1.00 0.00 C ATOM 443 CD1 PHE A 32 2.458 -6.454 -3.254 1.00 0.00 C ATOM 444 CD2 PHE A 32 0.692 -7.485 -4.480 1.00 0.00 C ATOM 445 CE1 PHE A 32 2.870 -5.795 -4.396 1.00 0.00 C ATOM 446 CE2 PHE A 32 1.099 -6.828 -5.626 1.00 0.00 C ATOM 447 CZ PHE A 32 2.191 -5.983 -5.584 1.00 0.00 C ATOM 0 H PHE A 32 1.955 -6.110 -0.649 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.769 -6.795 -1.516 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.791 -8.440 -1.538 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.279 -8.856 -2.320 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.994 -6.304 -2.329 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.161 -8.147 -4.519 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.723 -5.133 -4.360 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.564 -6.975 -6.553 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.513 -5.470 -6.478 1.00 0.00 H new ATOM 457 N TYR A 33 -1.455 -8.166 0.416 1.00 0.00 N ATOM 458 CA TYR A 33 -1.907 -8.903 1.591 1.00 0.00 C ATOM 459 C TYR A 33 -2.830 -10.050 1.193 1.00 0.00 C ATOM 460 O TYR A 33 -3.317 -10.107 0.064 1.00 0.00 O ATOM 461 CB TYR A 33 -2.629 -7.965 2.560 1.00 0.00 C ATOM 462 CG TYR A 33 -4.022 -7.587 2.111 1.00 0.00 C ATOM 463 CD1 TYR A 33 -5.099 -8.436 2.334 1.00 0.00 C ATOM 464 CD2 TYR A 33 -4.262 -6.381 1.464 1.00 0.00 C ATOM 465 CE1 TYR A 33 -6.374 -8.095 1.925 1.00 0.00 C ATOM 466 CE2 TYR A 33 -5.534 -6.031 1.053 1.00 0.00 C ATOM 467 CZ TYR A 33 -6.586 -6.891 1.286 1.00 0.00 C ATOM 468 OH TYR A 33 -7.854 -6.547 0.877 1.00 0.00 O ATOM 0 H TYR A 33 -2.203 -7.880 -0.216 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.030 -9.321 2.086 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.689 -8.442 3.538 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.037 -7.058 2.683 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.937 -9.379 2.836 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.440 -5.705 1.279 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -7.200 -8.767 2.105 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.703 -5.089 0.552 1.00 0.00 H new ATOM 0 HH TYR A 33 -8.079 -7.039 0.060 1.00 0.00 H new ATOM 478 N ALA A 34 -3.066 -10.963 2.129 1.00 0.00 N ATOM 479 CA ALA A 34 -3.933 -12.108 1.879 1.00 0.00 C ATOM 480 C ALA A 34 -5.123 -12.115 2.832 1.00 0.00 C ATOM 481 O ALA A 34 -4.980 -11.943 4.043 1.00 0.00 O ATOM 482 CB ALA A 34 -3.145 -13.404 2.005 1.00 0.00 C ATOM 0 H ALA A 34 -2.669 -10.932 3.068 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.317 -12.026 0.862 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.805 -14.251 1.816 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.332 -13.408 1.279 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.733 -13.483 3.011 1.00 0.00 H new ATOM 488 N PRO A 35 -6.326 -12.318 2.277 1.00 0.00 N ATOM 489 CA PRO A 35 -7.565 -12.352 3.060 1.00 0.00 C ATOM 490 C PRO A 35 -7.656 -13.590 3.946 1.00 0.00 C ATOM 491 O PRO A 35 -8.615 -13.756 4.700 1.00 0.00 O ATOM 492 CB PRO A 35 -8.660 -12.378 1.992 1.00 0.00 C ATOM 493 CG PRO A 35 -8.007 -12.975 0.794 1.00 0.00 C ATOM 494 CD PRO A 35 -6.571 -12.531 0.840 1.00 0.00 C ATOM 0 HA PRO A 35 -7.638 -11.506 3.744 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -9.514 -12.973 2.315 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.032 -11.375 1.782 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.080 -14.062 0.811 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.491 -12.638 -0.123 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.903 -13.287 0.426 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.414 -11.618 0.266 1.00 0.00 H new ATOM 502 N TRP A 36 -6.653 -14.455 3.851 1.00 0.00 N ATOM 503 CA TRP A 36 -6.621 -15.678 4.645 1.00 0.00 C ATOM 504 C TRP A 36 -5.320 -15.781 5.434 1.00 0.00 C ATOM 505 O TRP A 36 -4.900 -16.874 5.816 1.00 0.00 O ATOM 506 CB TRP A 36 -6.781 -16.902 3.741 1.00 0.00 C ATOM 507 CG TRP A 36 -6.128 -16.741 2.401 1.00 0.00 C ATOM 508 CD1 TRP A 36 -6.755 -16.582 1.198 1.00 0.00 C ATOM 509 CD2 TRP A 36 -4.723 -16.724 2.130 1.00 0.00 C ATOM 510 NE1 TRP A 36 -5.823 -16.468 0.195 1.00 0.00 N ATOM 511 CE2 TRP A 36 -4.569 -16.551 0.740 1.00 0.00 C ATOM 512 CE3 TRP A 36 -3.579 -16.836 2.924 1.00 0.00 C ATOM 513 CZ2 TRP A 36 -3.318 -16.489 0.132 1.00 0.00 C ATOM 514 CZ3 TRP A 36 -2.338 -16.775 2.319 1.00 0.00 C ATOM 515 CH2 TRP A 36 -2.216 -16.602 0.934 1.00 0.00 C ATOM 0 H TRP A 36 -5.851 -14.332 3.232 1.00 0.00 H new ATOM 0 HA TRP A 36 -7.451 -15.645 5.351 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.357 -17.772 4.242 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.843 -17.103 3.598 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -7.825 -16.551 1.056 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -6.031 -16.342 -0.796 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.663 -16.968 3.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.221 -16.356 -0.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.447 -16.862 2.924 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.232 -16.557 0.491 1.00 0.00 H new ATOM 526 N CYS A 37 -4.688 -14.638 5.675 1.00 0.00 N ATOM 527 CA CYS A 37 -3.434 -14.600 6.418 1.00 0.00 C ATOM 528 C CYS A 37 -3.542 -13.666 7.619 1.00 0.00 C ATOM 529 O CYS A 37 -4.085 -12.567 7.517 1.00 0.00 O ATOM 530 CB CYS A 37 -2.290 -14.150 5.508 1.00 0.00 C ATOM 531 SG CYS A 37 -0.643 -14.409 6.209 1.00 0.00 S ATOM 0 H CYS A 37 -5.023 -13.725 5.367 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.225 -15.606 6.781 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.359 -14.688 4.562 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.415 -13.091 5.282 1.00 0.00 H new ATOM 0 HG CYS A 37 0.257 -14.000 5.365 1.00 0.00 H new ATOM 537 N GLY A 38 -3.022 -14.113 8.759 1.00 0.00 N ATOM 538 CA GLY A 38 -3.072 -13.305 9.964 1.00 0.00 C ATOM 539 C GLY A 38 -2.063 -12.174 9.946 1.00 0.00 C ATOM 540 O GLY A 38 -2.425 -11.007 10.105 1.00 0.00 O ATOM 0 H GLY A 38 -2.567 -15.019 8.869 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.074 -12.892 10.079 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.887 -13.939 10.831 1.00 0.00 H new ATOM 544 N HIS A 39 -0.794 -12.517 9.753 1.00 0.00 N ATOM 545 CA HIS A 39 0.271 -11.521 9.716 1.00 0.00 C ATOM 546 C HIS A 39 -0.178 -10.274 8.959 1.00 0.00 C ATOM 547 O HIS A 39 0.340 -9.180 9.184 1.00 0.00 O ATOM 548 CB HIS A 39 1.523 -12.105 9.061 1.00 0.00 C ATOM 549 CG HIS A 39 2.132 -13.233 9.835 1.00 0.00 C ATOM 550 ND1 HIS A 39 2.348 -13.182 11.196 1.00 0.00 N ATOM 551 CD2 HIS A 39 2.571 -14.448 9.431 1.00 0.00 C ATOM 552 CE1 HIS A 39 2.895 -14.316 11.596 1.00 0.00 C ATOM 553 NE2 HIS A 39 3.041 -15.102 10.544 1.00 0.00 N ATOM 0 H HIS A 39 -0.478 -13.477 9.620 1.00 0.00 H new ATOM 0 HA HIS A 39 0.505 -11.238 10.742 1.00 0.00 H new ATOM 0 HB2 HIS A 39 1.270 -12.456 8.061 1.00 0.00 H new ATOM 0 HB3 HIS A 39 2.264 -11.314 8.943 1.00 0.00 H new ATOM 0 HD2 HIS A 39 2.555 -14.832 8.422 1.00 0.00 H new ATOM 0 HE1 HIS A 39 3.175 -14.559 12.610 1.00 0.00 H new ATOM 0 HE2 HIS A 39 3.438 -16.041 10.556 1.00 0.00 H new ATOM 562 N CYS A 40 -1.144 -10.447 8.064 1.00 0.00 N ATOM 563 CA CYS A 40 -1.662 -9.336 7.273 1.00 0.00 C ATOM 564 C CYS A 40 -2.816 -8.647 7.994 1.00 0.00 C ATOM 565 O CYS A 40 -2.854 -7.421 8.099 1.00 0.00 O ATOM 566 CB CYS A 40 -2.124 -9.830 5.902 1.00 0.00 C ATOM 567 SG CYS A 40 -0.773 -10.241 4.772 1.00 0.00 S ATOM 0 H CYS A 40 -1.585 -11.346 7.868 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.858 -8.613 7.138 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.751 -10.711 6.038 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.747 -9.063 5.442 1.00 0.00 H new ATOM 0 HG CYS A 40 -0.973 -11.422 4.268 1.00 0.00 H new ATOM 573 N LYS A 41 -3.757 -9.444 8.489 1.00 0.00 N ATOM 574 CA LYS A 41 -4.914 -8.912 9.200 1.00 0.00 C ATOM 575 C LYS A 41 -4.482 -7.939 10.291 1.00 0.00 C ATOM 576 O LYS A 41 -5.187 -6.977 10.593 1.00 0.00 O ATOM 577 CB LYS A 41 -5.730 -10.053 9.813 1.00 0.00 C ATOM 578 CG LYS A 41 -5.308 -10.411 11.227 1.00 0.00 C ATOM 579 CD LYS A 41 -6.271 -11.398 11.864 1.00 0.00 C ATOM 580 CE LYS A 41 -7.676 -10.823 11.958 1.00 0.00 C ATOM 581 NZ LYS A 41 -8.488 -11.141 10.751 1.00 0.00 N ATOM 0 H LYS A 41 -3.741 -10.461 8.411 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.534 -8.374 8.483 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.784 -9.774 9.817 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.637 -10.936 9.180 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.305 -10.838 11.211 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.259 -9.506 11.833 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.291 -12.318 11.279 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.917 -11.662 12.861 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.172 -11.219 12.844 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.618 -9.742 12.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.718 -10.262 10.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.946 -11.769 10.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.368 -11.615 11.039 1.00 0.00 H new ATOM 595 N ASN A 42 -3.317 -8.194 10.878 1.00 0.00 N ATOM 596 CA ASN A 42 -2.790 -7.339 11.936 1.00 0.00 C ATOM 597 C ASN A 42 -2.226 -6.044 11.358 1.00 0.00 C ATOM 598 O ASN A 42 -2.132 -5.031 12.053 1.00 0.00 O ATOM 599 CB ASN A 42 -1.704 -8.076 12.722 1.00 0.00 C ATOM 600 CG ASN A 42 -2.278 -9.105 13.676 1.00 0.00 C ATOM 601 OD1 ASN A 42 -3.481 -9.370 13.671 1.00 0.00 O ATOM 602 ND2 ASN A 42 -1.419 -9.692 14.501 1.00 0.00 N ATOM 0 H ASN A 42 -2.720 -8.986 10.639 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.610 -7.089 12.610 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.026 -8.569 12.025 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.113 -7.353 13.284 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.748 -10.393 15.165 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.431 -9.442 14.471 1.00 0.00 H new ATOM 609 N LEU A 43 -1.854 -6.085 10.084 1.00 0.00 N ATOM 610 CA LEU A 43 -1.299 -4.915 9.412 1.00 0.00 C ATOM 611 C LEU A 43 -2.403 -4.088 8.760 1.00 0.00 C ATOM 612 O LEU A 43 -2.246 -2.886 8.546 1.00 0.00 O ATOM 613 CB LEU A 43 -0.278 -5.344 8.357 1.00 0.00 C ATOM 614 CG LEU A 43 0.219 -4.245 7.417 1.00 0.00 C ATOM 615 CD1 LEU A 43 1.333 -3.445 8.073 1.00 0.00 C ATOM 616 CD2 LEU A 43 0.693 -4.844 6.101 1.00 0.00 C ATOM 0 H LEU A 43 -1.926 -6.915 9.495 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.801 -4.299 10.161 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.583 -5.774 8.868 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.720 -6.137 7.754 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.610 -3.569 7.208 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.674 -2.668 7.389 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.960 -2.985 8.988 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.165 -4.108 8.312 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.043 -4.048 5.444 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.508 -5.542 6.292 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.132 -5.372 5.623 1.00 0.00 H new ATOM 628 N GLU A 44 -3.519 -4.740 8.449 1.00 0.00 N ATOM 629 CA GLU A 44 -4.649 -4.063 7.823 1.00 0.00 C ATOM 630 C GLU A 44 -4.784 -2.635 8.343 1.00 0.00 C ATOM 631 O GLU A 44 -4.720 -1.664 7.589 1.00 0.00 O ATOM 632 CB GLU A 44 -5.943 -4.837 8.083 1.00 0.00 C ATOM 633 CG GLU A 44 -7.170 -3.949 8.204 1.00 0.00 C ATOM 634 CD GLU A 44 -7.483 -3.209 6.918 1.00 0.00 C ATOM 635 OE1 GLU A 44 -7.939 -3.861 5.955 1.00 0.00 O ATOM 636 OE2 GLU A 44 -7.272 -1.979 6.874 1.00 0.00 O ATOM 0 H GLU A 44 -3.665 -5.735 8.620 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.467 -4.024 6.749 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.099 -5.550 7.273 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.832 -5.416 9.000 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.029 -4.558 8.486 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.014 -3.227 9.006 1.00 0.00 H new ATOM 643 N PRO A 45 -4.977 -2.503 9.664 1.00 0.00 N ATOM 644 CA PRO A 45 -5.125 -1.198 10.316 1.00 0.00 C ATOM 645 C PRO A 45 -3.824 -0.404 10.327 1.00 0.00 C ATOM 646 O PRO A 45 -3.828 0.814 10.151 1.00 0.00 O ATOM 647 CB PRO A 45 -5.543 -1.560 11.743 1.00 0.00 C ATOM 648 CG PRO A 45 -5.002 -2.931 11.960 1.00 0.00 C ATOM 649 CD PRO A 45 -5.063 -3.617 10.623 1.00 0.00 C ATOM 0 HA PRO A 45 -5.841 -0.562 9.796 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.135 -0.854 12.466 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.627 -1.540 11.855 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.978 -2.892 12.332 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.591 -3.470 12.702 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.241 -4.322 10.495 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.988 -4.181 10.502 1.00 0.00 H new ATOM 657 N GLU A 46 -2.711 -1.102 10.534 1.00 0.00 N ATOM 658 CA GLU A 46 -1.403 -0.460 10.568 1.00 0.00 C ATOM 659 C GLU A 46 -1.131 0.292 9.268 1.00 0.00 C ATOM 660 O GLU A 46 -0.534 1.368 9.274 1.00 0.00 O ATOM 661 CB GLU A 46 -0.306 -1.500 10.806 1.00 0.00 C ATOM 662 CG GLU A 46 -0.486 -2.291 12.091 1.00 0.00 C ATOM 663 CD GLU A 46 -0.373 -1.425 13.330 1.00 0.00 C ATOM 664 OE1 GLU A 46 0.768 -1.139 13.751 1.00 0.00 O ATOM 665 OE2 GLU A 46 -1.424 -1.033 13.879 1.00 0.00 O ATOM 0 H GLU A 46 -2.690 -2.111 10.680 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.400 0.256 11.390 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.284 -2.191 9.964 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.661 -0.997 10.831 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.461 -2.777 12.080 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.264 -3.081 12.135 1.00 0.00 H new ATOM 672 N TRP A 47 -1.575 -0.283 8.156 1.00 0.00 N ATOM 673 CA TRP A 47 -1.379 0.332 6.847 1.00 0.00 C ATOM 674 C TRP A 47 -2.342 1.497 6.644 1.00 0.00 C ATOM 675 O TRP A 47 -1.955 2.555 6.151 1.00 0.00 O ATOM 676 CB TRP A 47 -1.573 -0.705 5.740 1.00 0.00 C ATOM 677 CG TRP A 47 -1.086 -0.241 4.400 1.00 0.00 C ATOM 678 CD1 TRP A 47 -1.848 0.235 3.371 1.00 0.00 C ATOM 679 CD2 TRP A 47 0.271 -0.210 3.945 1.00 0.00 C ATOM 680 NE1 TRP A 47 -1.046 0.560 2.304 1.00 0.00 N ATOM 681 CE2 TRP A 47 0.258 0.296 2.631 1.00 0.00 C ATOM 682 CE3 TRP A 47 1.496 -0.560 4.520 1.00 0.00 C ATOM 683 CZ2 TRP A 47 1.422 0.460 1.885 1.00 0.00 C ATOM 684 CZ3 TRP A 47 2.650 -0.397 3.778 1.00 0.00 C ATOM 685 CH2 TRP A 47 2.607 0.109 2.472 1.00 0.00 C ATOM 0 H TRP A 47 -2.073 -1.173 8.134 1.00 0.00 H new ATOM 0 HA TRP A 47 -0.360 0.715 6.801 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.047 -1.620 6.013 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -2.631 -0.955 5.667 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -2.923 0.340 3.393 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -1.369 0.937 1.413 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.540 -0.951 5.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 1.391 0.850 0.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 3.602 -0.664 4.212 1.00 0.00 H new ATOM 0 HH2 TRP A 47 3.527 0.224 1.918 1.00 0.00 H new ATOM 696 N ALA A 48 -3.599 1.294 7.028 1.00 0.00 N ATOM 697 CA ALA A 48 -4.616 2.329 6.890 1.00 0.00 C ATOM 698 C ALA A 48 -4.165 3.632 7.539 1.00 0.00 C ATOM 699 O ALA A 48 -4.132 4.680 6.894 1.00 0.00 O ATOM 700 CB ALA A 48 -5.930 1.861 7.498 1.00 0.00 C ATOM 0 H ALA A 48 -3.937 0.423 7.437 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.766 2.517 5.827 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.681 2.643 7.388 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.267 0.960 6.986 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.784 1.644 8.556 1.00 0.00 H new ATOM 706 N ALA A 49 -3.818 3.561 8.820 1.00 0.00 N ATOM 707 CA ALA A 49 -3.367 4.736 9.556 1.00 0.00 C ATOM 708 C ALA A 49 -2.125 5.343 8.914 1.00 0.00 C ATOM 709 O ALA A 49 -2.082 6.540 8.632 1.00 0.00 O ATOM 710 CB ALA A 49 -3.090 4.374 11.008 1.00 0.00 C ATOM 0 H ALA A 49 -3.841 2.702 9.370 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.161 5.482 9.524 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.754 5.260 11.546 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.002 3.994 11.469 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -2.315 3.608 11.051 1.00 0.00 H new ATOM 716 N ALA A 50 -1.115 4.510 8.686 1.00 0.00 N ATOM 717 CA ALA A 50 0.128 4.965 8.075 1.00 0.00 C ATOM 718 C ALA A 50 -0.146 5.793 6.825 1.00 0.00 C ATOM 719 O ALA A 50 0.409 6.878 6.654 1.00 0.00 O ATOM 720 CB ALA A 50 1.017 3.777 7.740 1.00 0.00 C ATOM 0 H ALA A 50 -1.133 3.516 8.915 1.00 0.00 H new ATOM 0 HA ALA A 50 0.646 5.601 8.793 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.942 4.131 7.284 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.249 3.228 8.652 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.498 3.119 7.043 1.00 0.00 H new ATOM 726 N ALA A 51 -1.004 5.273 5.953 1.00 0.00 N ATOM 727 CA ALA A 51 -1.352 5.966 4.718 1.00 0.00 C ATOM 728 C ALA A 51 -1.659 7.436 4.981 1.00 0.00 C ATOM 729 O ALA A 51 -1.183 8.317 4.265 1.00 0.00 O ATOM 730 CB ALA A 51 -2.539 5.288 4.049 1.00 0.00 C ATOM 0 H ALA A 51 -1.471 4.375 6.079 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.494 5.916 4.048 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.788 5.816 3.128 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.284 4.254 3.817 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.396 5.308 4.722 1.00 0.00 H new ATOM 736 N SER A 52 -2.457 7.694 6.012 1.00 0.00 N ATOM 737 CA SER A 52 -2.831 9.058 6.367 1.00 0.00 C ATOM 738 C SER A 52 -1.632 9.824 6.919 1.00 0.00 C ATOM 739 O SER A 52 -1.344 10.940 6.488 1.00 0.00 O ATOM 740 CB SER A 52 -3.962 9.048 7.397 1.00 0.00 C ATOM 741 OG SER A 52 -5.226 8.935 6.765 1.00 0.00 O ATOM 0 H SER A 52 -2.857 6.976 6.616 1.00 0.00 H new ATOM 0 HA SER A 52 -3.177 9.560 5.463 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.822 8.217 8.088 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.928 9.963 7.988 1.00 0.00 H new ATOM 0 HG SER A 52 -5.932 8.929 7.445 1.00 0.00 H new ATOM 747 N GLU A 53 -0.939 9.215 7.876 1.00 0.00 N ATOM 748 CA GLU A 53 0.228 9.840 8.488 1.00 0.00 C ATOM 749 C GLU A 53 1.311 10.107 7.447 1.00 0.00 C ATOM 750 O GLU A 53 2.145 10.997 7.616 1.00 0.00 O ATOM 751 CB GLU A 53 0.785 8.951 9.603 1.00 0.00 C ATOM 752 CG GLU A 53 2.150 9.389 10.105 1.00 0.00 C ATOM 753 CD GLU A 53 2.072 10.567 11.057 1.00 0.00 C ATOM 754 OE1 GLU A 53 1.962 11.713 10.575 1.00 0.00 O ATOM 755 OE2 GLU A 53 2.121 10.341 12.284 1.00 0.00 O ATOM 0 H GLU A 53 -1.165 8.291 8.244 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.084 10.793 8.915 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.084 8.947 10.438 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.853 7.926 9.239 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.634 8.552 10.608 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.777 9.655 9.254 1.00 0.00 H new ATOM 762 N VAL A 54 1.293 9.329 6.369 1.00 0.00 N ATOM 763 CA VAL A 54 2.272 9.481 5.300 1.00 0.00 C ATOM 764 C VAL A 54 1.809 10.507 4.272 1.00 0.00 C ATOM 765 O VAL A 54 2.588 11.349 3.824 1.00 0.00 O ATOM 766 CB VAL A 54 2.537 8.141 4.588 1.00 0.00 C ATOM 767 CG1 VAL A 54 3.412 8.352 3.362 1.00 0.00 C ATOM 768 CG2 VAL A 54 3.177 7.147 5.545 1.00 0.00 C ATOM 0 H VAL A 54 0.611 8.587 6.213 1.00 0.00 H new ATOM 0 HA VAL A 54 3.196 9.827 5.764 1.00 0.00 H new ATOM 0 HB VAL A 54 1.583 7.730 4.258 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.589 7.395 2.872 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.910 9.027 2.669 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.365 8.786 3.665 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.357 6.206 5.025 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.123 7.548 5.907 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.510 6.973 6.389 1.00 0.00 H new ATOM 778 N LYS A 55 0.535 10.433 3.902 1.00 0.00 N ATOM 779 CA LYS A 55 -0.035 11.356 2.928 1.00 0.00 C ATOM 780 C LYS A 55 -0.023 12.785 3.461 1.00 0.00 C ATOM 781 O LYS A 55 0.198 13.734 2.710 1.00 0.00 O ATOM 782 CB LYS A 55 -1.467 10.943 2.580 1.00 0.00 C ATOM 783 CG LYS A 55 -2.361 12.109 2.197 1.00 0.00 C ATOM 784 CD LYS A 55 -3.805 11.671 2.020 1.00 0.00 C ATOM 785 CE LYS A 55 -4.729 12.863 1.827 1.00 0.00 C ATOM 786 NZ LYS A 55 -6.053 12.455 1.280 1.00 0.00 N ATOM 0 H LYS A 55 -0.123 9.742 4.263 1.00 0.00 H new ATOM 0 HA LYS A 55 0.577 11.317 2.027 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.440 10.231 1.755 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.905 10.426 3.434 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.305 12.879 2.966 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.000 12.557 1.271 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.882 11.007 1.159 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.123 11.100 2.893 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.871 13.371 2.781 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.262 13.579 1.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.654 13.296 1.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.920 11.993 0.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.510 11.791 1.937 1.00 0.00 H new ATOM 800 N GLU A 56 -0.259 12.929 4.762 1.00 0.00 N ATOM 801 CA GLU A 56 -0.274 14.243 5.394 1.00 0.00 C ATOM 802 C GLU A 56 1.144 14.778 5.569 1.00 0.00 C ATOM 803 O GLU A 56 1.380 15.982 5.473 1.00 0.00 O ATOM 804 CB GLU A 56 -0.976 14.173 6.751 1.00 0.00 C ATOM 805 CG GLU A 56 -0.041 13.847 7.904 1.00 0.00 C ATOM 806 CD GLU A 56 0.555 15.088 8.540 1.00 0.00 C ATOM 807 OE1 GLU A 56 0.557 16.149 7.881 1.00 0.00 O ATOM 808 OE2 GLU A 56 1.019 14.999 9.696 1.00 0.00 O ATOM 0 H GLU A 56 -0.442 12.153 5.398 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.823 14.924 4.744 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.463 15.128 6.948 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.761 13.418 6.706 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.586 13.282 8.660 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.763 13.205 7.544 1.00 0.00 H new ATOM 815 N GLN A 57 2.084 13.874 5.828 1.00 0.00 N ATOM 816 CA GLN A 57 3.478 14.256 6.019 1.00 0.00 C ATOM 817 C GLN A 57 4.166 14.491 4.678 1.00 0.00 C ATOM 818 O GLN A 57 5.063 15.328 4.566 1.00 0.00 O ATOM 819 CB GLN A 57 4.222 13.174 6.805 1.00 0.00 C ATOM 820 CG GLN A 57 3.934 13.200 8.297 1.00 0.00 C ATOM 821 CD GLN A 57 4.833 12.264 9.081 1.00 0.00 C ATOM 822 OE1 GLN A 57 5.484 12.672 10.043 1.00 0.00 O ATOM 823 NE2 GLN A 57 4.873 11.001 8.673 1.00 0.00 N ATOM 0 H GLN A 57 1.905 12.873 5.910 1.00 0.00 H new ATOM 0 HA GLN A 57 3.500 15.187 6.586 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.950 12.196 6.408 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.294 13.295 6.648 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.060 14.216 8.670 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.893 12.925 8.467 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.317 10.706 7.870 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.460 10.325 9.162 1.00 0.00 H new ATOM 832 N THR A 58 3.742 13.747 3.662 1.00 0.00 N ATOM 833 CA THR A 58 4.318 13.873 2.329 1.00 0.00 C ATOM 834 C THR A 58 3.484 14.803 1.456 1.00 0.00 C ATOM 835 O THR A 58 3.811 15.039 0.292 1.00 0.00 O ATOM 836 CB THR A 58 4.434 12.503 1.635 1.00 0.00 C ATOM 837 OG1 THR A 58 3.129 11.986 1.350 1.00 0.00 O ATOM 838 CG2 THR A 58 5.195 11.517 2.508 1.00 0.00 C ATOM 0 H THR A 58 3.001 13.050 3.737 1.00 0.00 H new ATOM 0 HA THR A 58 5.316 14.294 2.454 1.00 0.00 H new ATOM 0 HB THR A 58 4.983 12.638 0.703 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.708 11.685 2.182 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.264 10.557 1.997 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.198 11.899 2.700 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.669 11.388 3.454 1.00 0.00 H new ATOM 846 N LYS A 59 2.404 15.331 2.023 1.00 0.00 N ATOM 847 CA LYS A 59 1.523 16.238 1.297 1.00 0.00 C ATOM 848 C LYS A 59 0.909 15.545 0.085 1.00 0.00 C ATOM 849 O LYS A 59 0.574 16.191 -0.907 1.00 0.00 O ATOM 850 CB LYS A 59 2.294 17.482 0.851 1.00 0.00 C ATOM 851 CG LYS A 59 2.576 18.460 1.978 1.00 0.00 C ATOM 852 CD LYS A 59 3.864 18.116 2.707 1.00 0.00 C ATOM 853 CE LYS A 59 4.432 19.324 3.435 1.00 0.00 C ATOM 854 NZ LYS A 59 3.715 19.591 4.712 1.00 0.00 N ATOM 0 H LYS A 59 2.118 15.146 2.984 1.00 0.00 H new ATOM 0 HA LYS A 59 0.718 16.538 1.968 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.239 17.173 0.405 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.726 17.992 0.073 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.644 19.471 1.575 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.745 18.453 2.683 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.676 17.315 3.421 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.598 17.741 1.994 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.490 19.160 3.640 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.365 20.201 2.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.133 20.422 5.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.710 19.773 4.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.801 18.765 5.338 1.00 0.00 H new ATOM 868 N GLY A 60 0.763 14.226 0.173 1.00 0.00 N ATOM 869 CA GLY A 60 0.188 13.469 -0.924 1.00 0.00 C ATOM 870 C GLY A 60 1.244 12.858 -1.823 1.00 0.00 C ATOM 871 O GLY A 60 0.963 11.932 -2.584 1.00 0.00 O ATOM 0 H GLY A 60 1.032 13.669 0.984 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.445 12.678 -0.523 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.454 14.122 -1.515 1.00 0.00 H new ATOM 875 N LYS A 61 2.464 13.378 -1.739 1.00 0.00 N ATOM 876 CA LYS A 61 3.567 12.880 -2.551 1.00 0.00 C ATOM 877 C LYS A 61 3.676 11.362 -2.448 1.00 0.00 C ATOM 878 O LYS A 61 3.616 10.655 -3.455 1.00 0.00 O ATOM 879 CB LYS A 61 4.883 13.527 -2.114 1.00 0.00 C ATOM 880 CG LYS A 61 6.115 12.737 -2.522 1.00 0.00 C ATOM 881 CD LYS A 61 6.138 12.474 -4.018 1.00 0.00 C ATOM 882 CE LYS A 61 6.498 13.728 -4.799 1.00 0.00 C ATOM 883 NZ LYS A 61 6.160 13.599 -6.244 1.00 0.00 N ATOM 0 H LYS A 61 2.714 14.146 -1.115 1.00 0.00 H new ATOM 0 HA LYS A 61 3.368 13.143 -3.590 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.946 14.528 -2.541 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.879 13.643 -1.030 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.012 13.285 -2.234 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.135 11.789 -1.985 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.859 11.687 -4.239 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.162 12.111 -4.340 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.969 14.583 -4.377 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.564 13.929 -4.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.390 14.487 -6.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.710 12.821 -6.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.145 13.399 -6.347 1.00 0.00 H new ATOM 897 N VAL A 62 3.835 10.866 -1.225 1.00 0.00 N ATOM 898 CA VAL A 62 3.950 9.432 -0.991 1.00 0.00 C ATOM 899 C VAL A 62 2.601 8.827 -0.618 1.00 0.00 C ATOM 900 O VAL A 62 2.139 8.961 0.515 1.00 0.00 O ATOM 901 CB VAL A 62 4.964 9.125 0.127 1.00 0.00 C ATOM 902 CG1 VAL A 62 5.173 7.625 0.262 1.00 0.00 C ATOM 903 CG2 VAL A 62 6.283 9.833 -0.143 1.00 0.00 C ATOM 0 H VAL A 62 3.887 11.437 -0.381 1.00 0.00 H new ATOM 0 HA VAL A 62 4.301 8.986 -1.922 1.00 0.00 H new ATOM 0 HB VAL A 62 4.563 9.497 1.070 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.893 7.428 1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.224 7.146 0.504 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.552 7.224 -0.678 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.988 9.606 0.656 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.691 9.492 -1.095 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.116 10.909 -0.184 1.00 0.00 H new ATOM 913 N LYS A 63 1.973 8.158 -1.579 1.00 0.00 N ATOM 914 CA LYS A 63 0.677 7.529 -1.353 1.00 0.00 C ATOM 915 C LYS A 63 0.843 6.057 -0.988 1.00 0.00 C ATOM 916 O LYS A 63 1.855 5.436 -1.316 1.00 0.00 O ATOM 917 CB LYS A 63 -0.201 7.661 -2.600 1.00 0.00 C ATOM 918 CG LYS A 63 -0.143 9.036 -3.242 1.00 0.00 C ATOM 919 CD LYS A 63 -0.977 9.094 -4.511 1.00 0.00 C ATOM 920 CE LYS A 63 -2.408 9.517 -4.218 1.00 0.00 C ATOM 921 NZ LYS A 63 -3.140 8.489 -3.427 1.00 0.00 N ATOM 0 H LYS A 63 2.341 8.037 -2.523 1.00 0.00 H new ATOM 0 HA LYS A 63 0.193 8.039 -0.520 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.107 6.914 -3.332 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.234 7.438 -2.332 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.502 9.784 -2.535 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.892 9.287 -3.474 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.526 9.795 -5.213 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.977 8.116 -4.993 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.403 10.460 -3.671 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.933 9.695 -5.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.162 8.581 -3.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.825 7.540 -3.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.945 8.626 -2.415 1.00 0.00 H new ATOM 935 N LEU A 64 -0.157 5.505 -0.310 1.00 0.00 N ATOM 936 CA LEU A 64 -0.122 4.105 0.098 1.00 0.00 C ATOM 937 C LEU A 64 -1.334 3.351 -0.440 1.00 0.00 C ATOM 938 O LEU A 64 -2.473 3.786 -0.273 1.00 0.00 O ATOM 939 CB LEU A 64 -0.078 3.999 1.624 1.00 0.00 C ATOM 940 CG LEU A 64 1.315 3.993 2.255 1.00 0.00 C ATOM 941 CD1 LEU A 64 1.924 5.386 2.218 1.00 0.00 C ATOM 942 CD2 LEU A 64 1.250 3.475 3.685 1.00 0.00 C ATOM 0 H LEU A 64 -1.001 6.005 -0.031 1.00 0.00 H new ATOM 0 HA LEU A 64 0.779 3.653 -0.318 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.641 4.833 2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.593 3.085 1.920 1.00 0.00 H new ATOM 0 HG LEU A 64 1.953 3.325 1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.915 5.362 2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.006 5.720 1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.288 6.076 2.773 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.250 3.478 4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.597 4.118 4.275 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.857 2.458 3.686 1.00 0.00 H new ATOM 954 N ALA A 65 -1.081 2.216 -1.084 1.00 0.00 N ATOM 955 CA ALA A 65 -2.151 1.399 -1.643 1.00 0.00 C ATOM 956 C ALA A 65 -1.991 -0.064 -1.243 1.00 0.00 C ATOM 957 O ALA A 65 -0.940 -0.470 -0.747 1.00 0.00 O ATOM 958 CB ALA A 65 -2.182 1.534 -3.158 1.00 0.00 C ATOM 0 H ALA A 65 -0.144 1.841 -1.231 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.097 1.757 -1.238 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.986 0.918 -3.562 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.353 2.576 -3.427 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.229 1.204 -3.572 1.00 0.00 H new ATOM 964 N ALA A 66 -3.040 -0.850 -1.460 1.00 0.00 N ATOM 965 CA ALA A 66 -3.015 -2.268 -1.123 1.00 0.00 C ATOM 966 C ALA A 66 -3.516 -3.117 -2.286 1.00 0.00 C ATOM 967 O ALA A 66 -4.376 -2.689 -3.056 1.00 0.00 O ATOM 968 CB ALA A 66 -3.849 -2.530 0.122 1.00 0.00 C ATOM 0 H ALA A 66 -3.918 -0.529 -1.868 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.982 -2.550 -0.920 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.821 -3.593 0.362 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.445 -1.959 0.958 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.880 -2.226 -0.060 1.00 0.00 H new ATOM 974 N VAL A 67 -2.973 -4.324 -2.409 1.00 0.00 N ATOM 975 CA VAL A 67 -3.365 -5.234 -3.478 1.00 0.00 C ATOM 976 C VAL A 67 -3.554 -6.652 -2.951 1.00 0.00 C ATOM 977 O VAL A 67 -2.939 -7.044 -1.959 1.00 0.00 O ATOM 978 CB VAL A 67 -2.322 -5.253 -4.611 1.00 0.00 C ATOM 979 CG1 VAL A 67 -2.792 -6.137 -5.756 1.00 0.00 C ATOM 980 CG2 VAL A 67 -2.039 -3.840 -5.098 1.00 0.00 C ATOM 0 H VAL A 67 -2.260 -4.694 -1.781 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.312 -4.867 -3.874 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.394 -5.670 -4.220 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.042 -6.138 -6.547 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.938 -7.155 -5.394 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.733 -5.753 -6.149 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.300 -3.872 -5.898 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.960 -3.393 -5.472 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.654 -3.241 -4.273 1.00 0.00 H new ATOM 990 N ASP A 68 -4.407 -7.418 -3.622 1.00 0.00 N ATOM 991 CA ASP A 68 -4.676 -8.795 -3.223 1.00 0.00 C ATOM 992 C ASP A 68 -3.923 -9.776 -4.116 1.00 0.00 C ATOM 993 O ASP A 68 -4.365 -10.090 -5.221 1.00 0.00 O ATOM 994 CB ASP A 68 -6.177 -9.081 -3.281 1.00 0.00 C ATOM 995 CG ASP A 68 -6.988 -8.083 -2.479 1.00 0.00 C ATOM 996 OD1 ASP A 68 -6.975 -6.886 -2.834 1.00 0.00 O ATOM 997 OD2 ASP A 68 -7.638 -8.499 -1.497 1.00 0.00 O ATOM 0 H ASP A 68 -4.924 -7.109 -4.445 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.329 -8.925 -2.198 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.508 -9.062 -4.320 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.367 -10.086 -2.904 1.00 0.00 H new ATOM 1002 N ALA A 69 -2.783 -10.257 -3.629 1.00 0.00 N ATOM 1003 CA ALA A 69 -1.970 -11.203 -4.382 1.00 0.00 C ATOM 1004 C ALA A 69 -2.796 -12.406 -4.826 1.00 0.00 C ATOM 1005 O ALA A 69 -2.386 -13.164 -5.706 1.00 0.00 O ATOM 1006 CB ALA A 69 -0.780 -11.656 -3.549 1.00 0.00 C ATOM 0 H ALA A 69 -2.402 -10.007 -2.716 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.603 -10.698 -5.276 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.181 -12.362 -4.124 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.169 -10.792 -3.287 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.136 -12.139 -2.639 1.00 0.00 H new ATOM 1012 N THR A 70 -3.962 -12.576 -4.211 1.00 0.00 N ATOM 1013 CA THR A 70 -4.845 -13.688 -4.541 1.00 0.00 C ATOM 1014 C THR A 70 -5.572 -13.440 -5.858 1.00 0.00 C ATOM 1015 O THR A 70 -5.932 -14.381 -6.566 1.00 0.00 O ATOM 1016 CB THR A 70 -5.885 -13.929 -3.431 1.00 0.00 C ATOM 1017 OG1 THR A 70 -6.706 -12.767 -3.269 1.00 0.00 O ATOM 1018 CG2 THR A 70 -5.202 -14.261 -2.112 1.00 0.00 C ATOM 0 H THR A 70 -4.317 -11.958 -3.482 1.00 0.00 H new ATOM 0 HA THR A 70 -4.216 -14.573 -4.637 1.00 0.00 H new ATOM 0 HB THR A 70 -6.507 -14.775 -3.723 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.366 -12.929 -2.563 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.957 -14.427 -1.343 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.600 -15.162 -2.231 1.00 0.00 H new ATOM 0 HG23 THR A 70 -4.559 -13.432 -1.816 1.00 0.00 H new ATOM 1026 N VAL A 71 -5.785 -12.169 -6.181 1.00 0.00 N ATOM 1027 CA VAL A 71 -6.468 -11.797 -7.414 1.00 0.00 C ATOM 1028 C VAL A 71 -5.491 -11.214 -8.429 1.00 0.00 C ATOM 1029 O VAL A 71 -5.702 -11.314 -9.637 1.00 0.00 O ATOM 1030 CB VAL A 71 -7.587 -10.773 -7.149 1.00 0.00 C ATOM 1031 CG1 VAL A 71 -8.299 -10.413 -8.444 1.00 0.00 C ATOM 1032 CG2 VAL A 71 -8.571 -11.314 -6.123 1.00 0.00 C ATOM 0 H VAL A 71 -5.494 -11.379 -5.605 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.908 -12.708 -7.819 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.138 -9.866 -6.745 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.086 -9.688 -8.237 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -7.584 -9.982 -9.145 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.738 -11.311 -8.880 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -9.355 -10.578 -5.947 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.016 -12.236 -6.497 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.048 -11.516 -5.188 1.00 0.00 H new ATOM 1042 N ASN A 72 -4.420 -10.606 -7.930 1.00 0.00 N ATOM 1043 CA ASN A 72 -3.409 -10.007 -8.794 1.00 0.00 C ATOM 1044 C ASN A 72 -2.292 -11.001 -9.096 1.00 0.00 C ATOM 1045 O ASN A 72 -1.516 -11.364 -8.212 1.00 0.00 O ATOM 1046 CB ASN A 72 -2.827 -8.753 -8.138 1.00 0.00 C ATOM 1047 CG ASN A 72 -3.603 -7.500 -8.497 1.00 0.00 C ATOM 1048 OD1 ASN A 72 -3.152 -6.686 -9.303 1.00 0.00 O ATOM 1049 ND2 ASN A 72 -4.777 -7.340 -7.897 1.00 0.00 N ATOM 0 H ASN A 72 -4.230 -10.515 -6.932 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.888 -9.730 -9.733 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.827 -8.879 -7.055 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.788 -8.634 -8.445 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -5.344 -6.516 -8.098 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -5.111 -8.041 -7.236 1.00 0.00 H new ATOM 1056 N GLN A 73 -2.218 -11.437 -10.349 1.00 0.00 N ATOM 1057 CA GLN A 73 -1.196 -12.390 -10.767 1.00 0.00 C ATOM 1058 C GLN A 73 -0.148 -11.714 -11.644 1.00 0.00 C ATOM 1059 O GLN A 73 1.045 -12.000 -11.536 1.00 0.00 O ATOM 1060 CB GLN A 73 -1.835 -13.556 -11.523 1.00 0.00 C ATOM 1061 CG GLN A 73 -2.830 -14.349 -10.690 1.00 0.00 C ATOM 1062 CD GLN A 73 -2.174 -15.465 -9.902 1.00 0.00 C ATOM 1063 OE1 GLN A 73 -1.510 -16.334 -10.469 1.00 0.00 O ATOM 1064 NE2 GLN A 73 -2.355 -15.448 -8.587 1.00 0.00 N ATOM 0 H GLN A 73 -2.853 -11.146 -11.092 1.00 0.00 H new ATOM 0 HA GLN A 73 -0.704 -12.772 -9.873 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -2.341 -13.171 -12.408 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -1.049 -14.227 -11.871 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.340 -13.675 -10.002 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -3.591 -14.772 -11.346 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.913 -14.709 -8.158 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -1.936 -16.174 -8.005 1.00 0.00 H new ATOM 1073 N VAL A 74 -0.600 -10.815 -12.513 1.00 0.00 N ATOM 1074 CA VAL A 74 0.299 -10.097 -13.408 1.00 0.00 C ATOM 1075 C VAL A 74 1.427 -9.427 -12.633 1.00 0.00 C ATOM 1076 O VAL A 74 2.601 -9.565 -12.980 1.00 0.00 O ATOM 1077 CB VAL A 74 -0.455 -9.029 -14.222 1.00 0.00 C ATOM 1078 CG1 VAL A 74 0.485 -8.341 -15.201 1.00 0.00 C ATOM 1079 CG2 VAL A 74 -1.636 -9.651 -14.952 1.00 0.00 C ATOM 0 H VAL A 74 -1.584 -10.567 -12.616 1.00 0.00 H new ATOM 0 HA VAL A 74 0.720 -10.834 -14.092 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.838 -8.276 -13.533 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.066 -7.590 -15.767 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.294 -7.860 -14.652 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.901 -9.080 -15.887 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.157 -8.882 -15.522 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.278 -10.425 -15.630 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.320 -10.092 -14.227 1.00 0.00 H new ATOM 1089 N LEU A 75 1.065 -8.702 -11.581 1.00 0.00 N ATOM 1090 CA LEU A 75 2.048 -8.009 -10.754 1.00 0.00 C ATOM 1091 C LEU A 75 2.783 -8.990 -9.846 1.00 0.00 C ATOM 1092 O LEU A 75 4.010 -9.078 -9.876 1.00 0.00 O ATOM 1093 CB LEU A 75 1.365 -6.931 -9.911 1.00 0.00 C ATOM 1094 CG LEU A 75 0.362 -6.040 -10.646 1.00 0.00 C ATOM 1095 CD1 LEU A 75 -0.327 -5.097 -9.672 1.00 0.00 C ATOM 1096 CD2 LEU A 75 1.055 -5.255 -11.750 1.00 0.00 C ATOM 0 H LEU A 75 0.098 -8.578 -11.280 1.00 0.00 H new ATOM 0 HA LEU A 75 2.776 -7.538 -11.415 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.850 -7.418 -9.083 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.136 -6.295 -9.477 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.396 -6.678 -11.101 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.037 -4.471 -10.212 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.857 -5.677 -8.917 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.418 -4.466 -9.188 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.326 -4.627 -12.262 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.834 -4.628 -11.317 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.502 -5.947 -12.463 1.00 0.00 H new ATOM 1108 N ALA A 76 2.024 -9.726 -9.041 1.00 0.00 N ATOM 1109 CA ALA A 76 2.604 -10.704 -8.128 1.00 0.00 C ATOM 1110 C ALA A 76 3.706 -11.507 -8.811 1.00 0.00 C ATOM 1111 O ALA A 76 4.755 -11.766 -8.220 1.00 0.00 O ATOM 1112 CB ALA A 76 1.524 -11.634 -7.595 1.00 0.00 C ATOM 0 H ALA A 76 1.007 -9.664 -9.002 1.00 0.00 H new ATOM 0 HA ALA A 76 3.049 -10.164 -7.292 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.971 -12.359 -6.915 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.773 -11.051 -7.062 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.053 -12.159 -8.426 1.00 0.00 H new ATOM 1118 N SER A 77 3.462 -11.898 -10.057 1.00 0.00 N ATOM 1119 CA SER A 77 4.432 -12.676 -10.819 1.00 0.00 C ATOM 1120 C SER A 77 5.584 -11.794 -11.291 1.00 0.00 C ATOM 1121 O SER A 77 6.746 -12.202 -11.258 1.00 0.00 O ATOM 1122 CB SER A 77 3.756 -13.338 -12.021 1.00 0.00 C ATOM 1123 OG SER A 77 4.444 -14.515 -12.407 1.00 0.00 O ATOM 0 H SER A 77 2.600 -11.689 -10.561 1.00 0.00 H new ATOM 0 HA SER A 77 4.834 -13.451 -10.166 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.723 -13.581 -11.773 1.00 0.00 H new ATOM 0 HB3 SER A 77 3.727 -12.639 -12.857 1.00 0.00 H new ATOM 0 HG SER A 77 3.992 -14.921 -13.176 1.00 0.00 H new ATOM 1129 N ARG A 78 5.254 -10.584 -11.729 1.00 0.00 N ATOM 1130 CA ARG A 78 6.260 -9.644 -12.209 1.00 0.00 C ATOM 1131 C ARG A 78 7.460 -9.604 -11.267 1.00 0.00 C ATOM 1132 O ARG A 78 8.605 -9.736 -11.698 1.00 0.00 O ATOM 1133 CB ARG A 78 5.658 -8.244 -12.345 1.00 0.00 C ATOM 1134 CG ARG A 78 6.618 -7.222 -12.930 1.00 0.00 C ATOM 1135 CD ARG A 78 5.940 -5.878 -13.143 1.00 0.00 C ATOM 1136 NE ARG A 78 6.892 -4.838 -13.523 1.00 0.00 N ATOM 1137 CZ ARG A 78 6.534 -3.661 -14.022 1.00 0.00 C ATOM 1138 NH1 ARG A 78 5.252 -3.374 -14.200 1.00 0.00 N ATOM 1139 NH2 ARG A 78 7.460 -2.766 -14.344 1.00 0.00 N ATOM 0 H ARG A 78 4.298 -10.231 -11.762 1.00 0.00 H new ATOM 0 HA ARG A 78 6.599 -9.983 -13.188 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.771 -8.299 -12.976 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.330 -7.902 -11.363 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.471 -7.099 -12.262 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.007 -7.589 -13.880 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.180 -5.974 -13.918 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.426 -5.582 -12.228 1.00 0.00 H new ATOM 0 HE ARG A 78 7.887 -5.026 -13.398 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.537 -4.058 -13.953 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.981 -2.469 -14.584 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.447 -2.982 -14.208 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.184 -1.862 -14.727 1.00 0.00 H new ATOM 1153 N TYR A 79 7.189 -9.420 -9.980 1.00 0.00 N ATOM 1154 CA TYR A 79 8.245 -9.359 -8.977 1.00 0.00 C ATOM 1155 C TYR A 79 8.298 -10.648 -8.162 1.00 0.00 C ATOM 1156 O TYR A 79 9.323 -10.978 -7.567 1.00 0.00 O ATOM 1157 CB TYR A 79 8.027 -8.164 -8.048 1.00 0.00 C ATOM 1158 CG TYR A 79 7.431 -6.959 -8.740 1.00 0.00 C ATOM 1159 CD1 TYR A 79 6.063 -6.868 -8.963 1.00 0.00 C ATOM 1160 CD2 TYR A 79 8.236 -5.912 -9.171 1.00 0.00 C ATOM 1161 CE1 TYR A 79 5.514 -5.770 -9.596 1.00 0.00 C ATOM 1162 CE2 TYR A 79 7.696 -4.809 -9.803 1.00 0.00 C ATOM 1163 CZ TYR A 79 6.335 -4.743 -10.014 1.00 0.00 C ATOM 1164 OH TYR A 79 5.792 -3.646 -10.644 1.00 0.00 O ATOM 0 H TYR A 79 6.246 -9.310 -9.607 1.00 0.00 H new ATOM 0 HA TYR A 79 9.196 -9.239 -9.495 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.371 -8.465 -7.231 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.981 -7.882 -7.603 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.417 -7.670 -8.636 1.00 0.00 H new ATOM 0 HD2 TYR A 79 9.303 -5.961 -9.009 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.448 -5.716 -9.763 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.336 -4.003 -10.130 1.00 0.00 H new ATOM 0 HH TYR A 79 5.689 -2.916 -9.999 1.00 0.00 H new ATOM 1174 N GLY A 80 7.184 -11.373 -8.141 1.00 0.00 N ATOM 1175 CA GLY A 80 7.124 -12.618 -7.398 1.00 0.00 C ATOM 1176 C GLY A 80 6.705 -12.413 -5.956 1.00 0.00 C ATOM 1177 O GLY A 80 7.545 -12.393 -5.056 1.00 0.00 O ATOM 0 H GLY A 80 6.322 -11.121 -8.625 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.421 -13.294 -7.885 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.101 -13.101 -7.424 1.00 0.00 H new ATOM 1181 N ILE A 81 5.404 -12.257 -5.736 1.00 0.00 N ATOM 1182 CA ILE A 81 4.877 -12.051 -4.392 1.00 0.00 C ATOM 1183 C ILE A 81 4.202 -13.314 -3.867 1.00 0.00 C ATOM 1184 O ILE A 81 3.084 -13.643 -4.264 1.00 0.00 O ATOM 1185 CB ILE A 81 3.866 -10.889 -4.357 1.00 0.00 C ATOM 1186 CG1 ILE A 81 4.373 -9.717 -5.199 1.00 0.00 C ATOM 1187 CG2 ILE A 81 3.616 -10.449 -2.922 1.00 0.00 C ATOM 1188 CD1 ILE A 81 5.546 -8.991 -4.580 1.00 0.00 C ATOM 0 H ILE A 81 4.696 -12.269 -6.470 1.00 0.00 H new ATOM 0 HA ILE A 81 5.725 -11.804 -3.754 1.00 0.00 H new ATOM 0 HB ILE A 81 2.923 -11.234 -4.781 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.663 -10.086 -6.183 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.558 -9.010 -5.351 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.900 -9.627 -2.913 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.216 -11.286 -2.349 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.553 -10.118 -2.474 1.00 0.00 H new ATOM 0 HD11 ILE A 81 5.852 -8.173 -5.232 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.255 -8.592 -3.608 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.377 -9.684 -4.453 1.00 0.00 H new ATOM 1200 N ARG A 82 4.888 -14.015 -2.971 1.00 0.00 N ATOM 1201 CA ARG A 82 4.355 -15.242 -2.390 1.00 0.00 C ATOM 1202 C ARG A 82 4.328 -15.155 -0.867 1.00 0.00 C ATOM 1203 O ARG A 82 3.604 -15.898 -0.205 1.00 0.00 O ATOM 1204 CB ARG A 82 5.192 -16.445 -2.829 1.00 0.00 C ATOM 1205 CG ARG A 82 5.004 -16.817 -4.291 1.00 0.00 C ATOM 1206 CD ARG A 82 5.232 -18.303 -4.521 1.00 0.00 C ATOM 1207 NE ARG A 82 4.981 -18.687 -5.907 1.00 0.00 N ATOM 1208 CZ ARG A 82 5.777 -18.354 -6.918 1.00 0.00 C ATOM 1209 NH1 ARG A 82 6.869 -17.636 -6.697 1.00 0.00 N ATOM 1210 NH2 ARG A 82 5.481 -18.741 -8.152 1.00 0.00 N ATOM 0 H ARG A 82 5.814 -13.755 -2.631 1.00 0.00 H new ATOM 0 HA ARG A 82 3.333 -15.370 -2.747 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.245 -16.229 -2.650 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.933 -17.303 -2.208 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.997 -16.549 -4.609 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.696 -16.242 -4.906 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.258 -18.558 -4.254 1.00 0.00 H new ATOM 0 HD3 ARG A 82 4.580 -18.876 -3.862 1.00 0.00 H new ATOM 0 HE ARG A 82 4.149 -19.241 -6.111 1.00 0.00 H new ATOM 0 HH11 ARG A 82 7.100 -17.338 -5.749 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.478 -17.382 -7.475 1.00 0.00 H new ATOM 0 HH21 ARG A 82 4.642 -19.295 -8.325 1.00 0.00 H new ATOM 0 HH22 ARG A 82 6.092 -18.485 -8.927 1.00 0.00 H new ATOM 1224 N GLY A 83 5.125 -14.243 -0.317 1.00 0.00 N ATOM 1225 CA GLY A 83 5.178 -14.077 1.124 1.00 0.00 C ATOM 1226 C GLY A 83 4.571 -12.764 1.578 1.00 0.00 C ATOM 1227 O GLY A 83 5.242 -11.732 1.586 1.00 0.00 O ATOM 0 H GLY A 83 5.734 -13.617 -0.843 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.650 -14.902 1.602 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.215 -14.128 1.455 1.00 0.00 H new ATOM 1231 N PHE A 84 3.298 -12.802 1.958 1.00 0.00 N ATOM 1232 CA PHE A 84 2.600 -11.606 2.413 1.00 0.00 C ATOM 1233 C PHE A 84 2.620 -11.511 3.936 1.00 0.00 C ATOM 1234 O PHE A 84 2.726 -12.513 4.644 1.00 0.00 O ATOM 1235 CB PHE A 84 1.155 -11.611 1.911 1.00 0.00 C ATOM 1236 CG PHE A 84 0.972 -12.354 0.619 1.00 0.00 C ATOM 1237 CD1 PHE A 84 1.605 -11.928 -0.537 1.00 0.00 C ATOM 1238 CD2 PHE A 84 0.166 -13.480 0.560 1.00 0.00 C ATOM 1239 CE1 PHE A 84 1.438 -12.610 -1.727 1.00 0.00 C ATOM 1240 CE2 PHE A 84 -0.005 -14.167 -0.627 1.00 0.00 C ATOM 1241 CZ PHE A 84 0.633 -13.731 -1.772 1.00 0.00 C ATOM 0 H PHE A 84 2.729 -13.649 1.960 1.00 0.00 H new ATOM 0 HA PHE A 84 3.116 -10.737 2.005 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.516 -12.059 2.672 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.821 -10.582 1.780 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.237 -11.052 -0.508 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.335 -13.825 1.453 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.937 -12.267 -2.621 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.636 -15.043 -0.659 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.502 -14.266 -2.701 1.00 0.00 H new ATOM 1251 N PRO A 85 2.519 -10.278 4.453 1.00 0.00 N ATOM 1252 CA PRO A 85 2.394 -9.078 3.620 1.00 0.00 C ATOM 1253 C PRO A 85 3.679 -8.761 2.864 1.00 0.00 C ATOM 1254 O PRO A 85 4.770 -9.154 3.280 1.00 0.00 O ATOM 1255 CB PRO A 85 2.083 -7.974 4.633 1.00 0.00 C ATOM 1256 CG PRO A 85 2.661 -8.463 5.916 1.00 0.00 C ATOM 1257 CD PRO A 85 2.518 -9.959 5.891 1.00 0.00 C ATOM 0 HA PRO A 85 1.632 -9.195 2.849 1.00 0.00 H new ATOM 0 HB2 PRO A 85 2.529 -7.025 4.334 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.009 -7.808 4.720 1.00 0.00 H new ATOM 0 HG2 PRO A 85 3.708 -8.173 6.008 1.00 0.00 H new ATOM 0 HG3 PRO A 85 2.135 -8.035 6.769 1.00 0.00 H new ATOM 0 HD2 PRO A 85 3.340 -10.450 6.412 1.00 0.00 H new ATOM 0 HD3 PRO A 85 1.596 -10.283 6.374 1.00 0.00 H new ATOM 1265 N THR A 86 3.545 -8.047 1.751 1.00 0.00 N ATOM 1266 CA THR A 86 4.696 -7.678 0.936 1.00 0.00 C ATOM 1267 C THR A 86 4.637 -6.208 0.536 1.00 0.00 C ATOM 1268 O THR A 86 3.897 -5.831 -0.373 1.00 0.00 O ATOM 1269 CB THR A 86 4.783 -8.541 -0.337 1.00 0.00 C ATOM 1270 OG1 THR A 86 5.241 -9.857 -0.006 1.00 0.00 O ATOM 1271 CG2 THR A 86 5.724 -7.912 -1.353 1.00 0.00 C ATOM 0 H THR A 86 2.650 -7.712 1.393 1.00 0.00 H new ATOM 0 HA THR A 86 5.583 -7.851 1.545 1.00 0.00 H new ATOM 0 HB THR A 86 3.788 -8.603 -0.777 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.833 -10.143 0.838 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.770 -8.539 -2.244 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.357 -6.922 -1.624 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.720 -7.824 -0.920 1.00 0.00 H new ATOM 1279 N ILE A 87 5.422 -5.382 1.221 1.00 0.00 N ATOM 1280 CA ILE A 87 5.460 -3.953 0.935 1.00 0.00 C ATOM 1281 C ILE A 87 6.528 -3.629 -0.104 1.00 0.00 C ATOM 1282 O ILE A 87 7.700 -3.962 0.069 1.00 0.00 O ATOM 1283 CB ILE A 87 5.732 -3.131 2.208 1.00 0.00 C ATOM 1284 CG1 ILE A 87 4.626 -3.367 3.239 1.00 0.00 C ATOM 1285 CG2 ILE A 87 5.842 -1.652 1.871 1.00 0.00 C ATOM 1286 CD1 ILE A 87 5.043 -3.044 4.657 1.00 0.00 C ATOM 0 H ILE A 87 6.039 -5.678 1.977 1.00 0.00 H new ATOM 0 HA ILE A 87 4.480 -3.684 0.541 1.00 0.00 H new ATOM 0 HB ILE A 87 6.679 -3.457 2.637 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.760 -2.760 2.976 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.311 -4.409 3.190 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.034 -1.085 2.782 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.661 -1.499 1.168 1.00 0.00 H new ATOM 0 HG23 ILE A 87 4.910 -1.311 1.421 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.210 -3.235 5.334 1.00 0.00 H new ATOM 0 HD12 ILE A 87 5.890 -3.670 4.939 1.00 0.00 H new ATOM 0 HD13 ILE A 87 5.330 -1.994 4.722 1.00 0.00 H new ATOM 1298 N LYS A 88 6.115 -2.975 -1.185 1.00 0.00 N ATOM 1299 CA LYS A 88 7.036 -2.601 -2.252 1.00 0.00 C ATOM 1300 C LYS A 88 6.848 -1.140 -2.646 1.00 0.00 C ATOM 1301 O LYS A 88 5.720 -0.658 -2.758 1.00 0.00 O ATOM 1302 CB LYS A 88 6.827 -3.501 -3.472 1.00 0.00 C ATOM 1303 CG LYS A 88 7.077 -4.972 -3.193 1.00 0.00 C ATOM 1304 CD LYS A 88 8.528 -5.349 -3.446 1.00 0.00 C ATOM 1305 CE LYS A 88 8.660 -6.802 -3.876 1.00 0.00 C ATOM 1306 NZ LYS A 88 10.033 -7.114 -4.361 1.00 0.00 N ATOM 0 H LYS A 88 5.148 -2.693 -1.345 1.00 0.00 H new ATOM 0 HA LYS A 88 8.053 -2.731 -1.882 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.806 -3.377 -3.834 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.491 -3.174 -4.272 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.817 -5.196 -2.159 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.427 -5.579 -3.824 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.944 -4.701 -4.217 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.112 -5.182 -2.541 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.415 -7.453 -3.037 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.939 -7.014 -4.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.082 -8.113 -4.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.258 -6.511 -5.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.719 -6.936 -3.600 1.00 0.00 H new ATOM 1320 N ILE A 89 7.958 -0.441 -2.856 1.00 0.00 N ATOM 1321 CA ILE A 89 7.914 0.964 -3.241 1.00 0.00 C ATOM 1322 C ILE A 89 8.284 1.145 -4.709 1.00 0.00 C ATOM 1323 O ILE A 89 9.134 0.429 -5.238 1.00 0.00 O ATOM 1324 CB ILE A 89 8.863 1.815 -2.376 1.00 0.00 C ATOM 1325 CG1 ILE A 89 8.458 1.732 -0.902 1.00 0.00 C ATOM 1326 CG2 ILE A 89 8.861 3.260 -2.851 1.00 0.00 C ATOM 1327 CD1 ILE A 89 8.980 0.498 -0.200 1.00 0.00 C ATOM 0 H ILE A 89 8.899 -0.825 -2.766 1.00 0.00 H new ATOM 0 HA ILE A 89 6.890 1.301 -3.083 1.00 0.00 H new ATOM 0 HB ILE A 89 9.874 1.421 -2.478 1.00 0.00 H new ATOM 0 HG12 ILE A 89 8.824 2.618 -0.383 1.00 0.00 H new ATOM 0 HG13 ILE A 89 7.370 1.748 -0.831 1.00 0.00 H new ATOM 0 HG21 ILE A 89 9.536 3.848 -2.230 1.00 0.00 H new ATOM 0 HG22 ILE A 89 9.193 3.302 -3.888 1.00 0.00 H new ATOM 0 HG23 ILE A 89 7.852 3.666 -2.776 1.00 0.00 H new ATOM 0 HD11 ILE A 89 8.654 0.506 0.840 1.00 0.00 H new ATOM 0 HD12 ILE A 89 8.593 -0.393 -0.695 1.00 0.00 H new ATOM 0 HD13 ILE A 89 10.069 0.491 -0.239 1.00 0.00 H new ATOM 1339 N PHE A 90 7.641 2.107 -5.362 1.00 0.00 N ATOM 1340 CA PHE A 90 7.903 2.383 -6.769 1.00 0.00 C ATOM 1341 C PHE A 90 8.128 3.875 -6.999 1.00 0.00 C ATOM 1342 O PHE A 90 7.302 4.703 -6.616 1.00 0.00 O ATOM 1343 CB PHE A 90 6.738 1.893 -7.632 1.00 0.00 C ATOM 1344 CG PHE A 90 6.519 0.409 -7.557 1.00 0.00 C ATOM 1345 CD1 PHE A 90 5.861 -0.154 -6.476 1.00 0.00 C ATOM 1346 CD2 PHE A 90 6.973 -0.423 -8.568 1.00 0.00 C ATOM 1347 CE1 PHE A 90 5.658 -1.520 -6.404 1.00 0.00 C ATOM 1348 CE2 PHE A 90 6.772 -1.789 -8.502 1.00 0.00 C ATOM 1349 CZ PHE A 90 6.115 -2.338 -7.418 1.00 0.00 C ATOM 0 H PHE A 90 6.934 2.709 -4.939 1.00 0.00 H new ATOM 0 HA PHE A 90 8.809 1.849 -7.055 1.00 0.00 H new ATOM 0 HB2 PHE A 90 5.826 2.403 -7.321 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.922 2.173 -8.669 1.00 0.00 H new ATOM 0 HD1 PHE A 90 5.502 0.481 -5.680 1.00 0.00 H new ATOM 0 HD2 PHE A 90 7.489 0.000 -9.417 1.00 0.00 H new ATOM 0 HE1 PHE A 90 5.143 -1.946 -5.556 1.00 0.00 H new ATOM 0 HE2 PHE A 90 7.128 -2.427 -9.297 1.00 0.00 H new ATOM 0 HZ PHE A 90 5.959 -3.405 -7.364 1.00 0.00 H new ATOM 1359 N GLN A 91 9.251 4.208 -7.625 1.00 0.00 N ATOM 1360 CA GLN A 91 9.586 5.600 -7.904 1.00 0.00 C ATOM 1361 C GLN A 91 9.791 5.821 -9.399 1.00 0.00 C ATOM 1362 O GLN A 91 10.747 5.315 -9.988 1.00 0.00 O ATOM 1363 CB GLN A 91 10.846 6.007 -7.139 1.00 0.00 C ATOM 1364 CG GLN A 91 10.662 6.028 -5.630 1.00 0.00 C ATOM 1365 CD GLN A 91 11.955 6.299 -4.888 1.00 0.00 C ATOM 1366 OE1 GLN A 91 12.702 7.215 -5.232 1.00 0.00 O ATOM 1367 NE2 GLN A 91 12.227 5.501 -3.862 1.00 0.00 N ATOM 0 H GLN A 91 9.945 3.534 -7.949 1.00 0.00 H new ATOM 0 HA GLN A 91 8.753 6.221 -7.574 1.00 0.00 H new ATOM 0 HB2 GLN A 91 11.651 5.316 -7.389 1.00 0.00 H new ATOM 0 HB3 GLN A 91 11.160 6.996 -7.472 1.00 0.00 H new ATOM 0 HG2 GLN A 91 9.930 6.792 -5.368 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.254 5.071 -5.304 1.00 0.00 H new ATOM 0 HE21 GLN A 91 11.579 4.754 -3.611 1.00 0.00 H new ATOM 0 HE22 GLN A 91 13.083 5.635 -3.325 1.00 0.00 H new ATOM 1376 N LYS A 92 8.887 6.580 -10.010 1.00 0.00 N ATOM 1377 CA LYS A 92 8.968 6.870 -11.436 1.00 0.00 C ATOM 1378 C LYS A 92 10.361 7.365 -11.813 1.00 0.00 C ATOM 1379 O LYS A 92 10.781 8.443 -11.395 1.00 0.00 O ATOM 1380 CB LYS A 92 7.921 7.916 -11.825 1.00 0.00 C ATOM 1381 CG LYS A 92 8.173 8.554 -13.180 1.00 0.00 C ATOM 1382 CD LYS A 92 6.876 8.990 -13.841 1.00 0.00 C ATOM 1383 CE LYS A 92 6.272 7.872 -14.677 1.00 0.00 C ATOM 1384 NZ LYS A 92 5.462 8.401 -15.809 1.00 0.00 N ATOM 0 H LYS A 92 8.089 7.006 -9.538 1.00 0.00 H new ATOM 0 HA LYS A 92 8.770 5.947 -11.981 1.00 0.00 H new ATOM 0 HB2 LYS A 92 6.937 7.448 -11.831 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.899 8.696 -11.064 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.829 9.416 -13.061 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.691 7.845 -13.826 1.00 0.00 H new ATOM 0 HD2 LYS A 92 6.163 9.300 -13.077 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.063 9.858 -14.473 1.00 0.00 H new ATOM 0 HE2 LYS A 92 7.069 7.238 -15.066 1.00 0.00 H new ATOM 0 HE3 LYS A 92 5.645 7.244 -14.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 4.519 7.963 -15.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 5.366 9.432 -15.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 5.935 8.178 -16.708 1.00 0.00 H new ATOM 1398 N GLY A 93 11.072 6.569 -12.606 1.00 0.00 N ATOM 1399 CA GLY A 93 12.409 6.945 -13.026 1.00 0.00 C ATOM 1400 C GLY A 93 13.449 5.910 -12.644 1.00 0.00 C ATOM 1401 O GLY A 93 14.277 5.521 -13.467 1.00 0.00 O ATOM 0 H GLY A 93 10.746 5.671 -12.965 1.00 0.00 H new ATOM 0 HA2 GLY A 93 12.421 7.086 -14.107 1.00 0.00 H new ATOM 0 HA3 GLY A 93 12.672 7.903 -12.577 1.00 0.00 H new ATOM 1405 N GLU A 94 13.407 5.465 -11.392 1.00 0.00 N ATOM 1406 CA GLU A 94 14.355 4.471 -10.903 1.00 0.00 C ATOM 1407 C GLU A 94 13.641 3.176 -10.528 1.00 0.00 C ATOM 1408 O GLU A 94 12.431 3.166 -10.298 1.00 0.00 O ATOM 1409 CB GLU A 94 15.119 5.014 -9.694 1.00 0.00 C ATOM 1410 CG GLU A 94 15.951 6.247 -10.003 1.00 0.00 C ATOM 1411 CD GLU A 94 16.726 6.745 -8.799 1.00 0.00 C ATOM 1412 OE1 GLU A 94 16.085 7.118 -7.794 1.00 0.00 O ATOM 1413 OE2 GLU A 94 17.973 6.762 -8.861 1.00 0.00 O ATOM 0 H GLU A 94 12.727 5.777 -10.699 1.00 0.00 H new ATOM 0 HA GLU A 94 15.062 4.256 -11.704 1.00 0.00 H new ATOM 0 HB2 GLU A 94 14.408 5.255 -8.904 1.00 0.00 H new ATOM 0 HB3 GLU A 94 15.773 4.232 -9.307 1.00 0.00 H new ATOM 0 HG2 GLU A 94 16.648 6.018 -10.809 1.00 0.00 H new ATOM 0 HG3 GLU A 94 15.297 7.041 -10.363 1.00 0.00 H new ATOM 1420 N SER A 95 14.397 2.085 -10.469 1.00 0.00 N ATOM 1421 CA SER A 95 13.837 0.783 -10.126 1.00 0.00 C ATOM 1422 C SER A 95 13.232 0.804 -8.726 1.00 0.00 C ATOM 1423 O SER A 95 13.708 1.498 -7.827 1.00 0.00 O ATOM 1424 CB SER A 95 14.915 -0.299 -10.213 1.00 0.00 C ATOM 1425 OG SER A 95 15.943 -0.071 -9.265 1.00 0.00 O ATOM 0 H SER A 95 15.400 2.077 -10.654 1.00 0.00 H new ATOM 0 HA SER A 95 13.046 0.555 -10.841 1.00 0.00 H new ATOM 0 HB2 SER A 95 14.467 -1.278 -10.040 1.00 0.00 H new ATOM 0 HB3 SER A 95 15.339 -0.315 -11.217 1.00 0.00 H new ATOM 0 HG SER A 95 16.619 -0.777 -9.339 1.00 0.00 H new ATOM 1431 N PRO A 96 12.158 0.025 -8.534 1.00 0.00 N ATOM 1432 CA PRO A 96 11.464 -0.065 -7.246 1.00 0.00 C ATOM 1433 C PRO A 96 12.296 -0.784 -6.189 1.00 0.00 C ATOM 1434 O PRO A 96 13.205 -1.549 -6.514 1.00 0.00 O ATOM 1435 CB PRO A 96 10.206 -0.872 -7.576 1.00 0.00 C ATOM 1436 CG PRO A 96 10.575 -1.676 -8.774 1.00 0.00 C ATOM 1437 CD PRO A 96 11.537 -0.830 -9.561 1.00 0.00 C ATOM 0 HA PRO A 96 11.257 0.919 -6.825 1.00 0.00 H new ATOM 0 HB2 PRO A 96 9.917 -1.513 -6.743 1.00 0.00 H new ATOM 0 HB3 PRO A 96 9.359 -0.218 -7.784 1.00 0.00 H new ATOM 0 HG2 PRO A 96 11.034 -2.621 -8.483 1.00 0.00 H new ATOM 0 HG3 PRO A 96 9.694 -1.919 -9.367 1.00 0.00 H new ATOM 0 HD2 PRO A 96 12.278 -1.439 -10.078 1.00 0.00 H new ATOM 0 HD3 PRO A 96 11.024 -0.239 -10.320 1.00 0.00 H new ATOM 1445 N VAL A 97 11.979 -0.534 -4.922 1.00 0.00 N ATOM 1446 CA VAL A 97 12.696 -1.159 -3.817 1.00 0.00 C ATOM 1447 C VAL A 97 11.788 -2.101 -3.035 1.00 0.00 C ATOM 1448 O VAL A 97 10.563 -2.037 -3.150 1.00 0.00 O ATOM 1449 CB VAL A 97 13.274 -0.105 -2.855 1.00 0.00 C ATOM 1450 CG1 VAL A 97 14.409 0.659 -3.520 1.00 0.00 C ATOM 1451 CG2 VAL A 97 12.182 0.846 -2.389 1.00 0.00 C ATOM 0 H VAL A 97 11.230 0.097 -4.636 1.00 0.00 H new ATOM 0 HA VAL A 97 13.516 -1.729 -4.254 1.00 0.00 H new ATOM 0 HB VAL A 97 13.676 -0.617 -1.981 1.00 0.00 H new ATOM 0 HG11 VAL A 97 14.805 1.400 -2.825 1.00 0.00 H new ATOM 0 HG12 VAL A 97 15.201 -0.036 -3.800 1.00 0.00 H new ATOM 0 HG13 VAL A 97 14.036 1.162 -4.412 1.00 0.00 H new ATOM 0 HG21 VAL A 97 12.608 1.584 -1.710 1.00 0.00 H new ATOM 0 HG22 VAL A 97 11.749 1.353 -3.251 1.00 0.00 H new ATOM 0 HG23 VAL A 97 11.405 0.283 -1.872 1.00 0.00 H new ATOM 1461 N ASP A 98 12.395 -2.974 -2.239 1.00 0.00 N ATOM 1462 CA ASP A 98 11.640 -3.929 -1.435 1.00 0.00 C ATOM 1463 C ASP A 98 11.687 -3.553 0.042 1.00 0.00 C ATOM 1464 O ASP A 98 12.746 -3.592 0.670 1.00 0.00 O ATOM 1465 CB ASP A 98 12.192 -5.342 -1.632 1.00 0.00 C ATOM 1466 CG ASP A 98 11.390 -6.387 -0.881 1.00 0.00 C ATOM 1467 OD1 ASP A 98 10.144 -6.329 -0.934 1.00 0.00 O ATOM 1468 OD2 ASP A 98 12.009 -7.262 -0.242 1.00 0.00 O ATOM 0 H ASP A 98 13.407 -3.041 -2.133 1.00 0.00 H new ATOM 0 HA ASP A 98 10.601 -3.903 -1.765 1.00 0.00 H new ATOM 0 HB2 ASP A 98 12.193 -5.584 -2.695 1.00 0.00 H new ATOM 0 HB3 ASP A 98 13.229 -5.374 -1.297 1.00 0.00 H new ATOM 1473 N TYR A 99 10.534 -3.188 0.591 1.00 0.00 N ATOM 1474 CA TYR A 99 10.445 -2.801 1.994 1.00 0.00 C ATOM 1475 C TYR A 99 10.407 -4.030 2.897 1.00 0.00 C ATOM 1476 O TYR A 99 9.538 -4.891 2.757 1.00 0.00 O ATOM 1477 CB TYR A 99 9.200 -1.943 2.230 1.00 0.00 C ATOM 1478 CG TYR A 99 9.050 -1.474 3.659 1.00 0.00 C ATOM 1479 CD1 TYR A 99 8.586 -2.333 4.648 1.00 0.00 C ATOM 1480 CD2 TYR A 99 9.372 -0.172 4.021 1.00 0.00 C ATOM 1481 CE1 TYR A 99 8.446 -1.908 5.955 1.00 0.00 C ATOM 1482 CE2 TYR A 99 9.237 0.261 5.326 1.00 0.00 C ATOM 1483 CZ TYR A 99 8.773 -0.611 6.289 1.00 0.00 C ATOM 1484 OH TYR A 99 8.637 -0.184 7.591 1.00 0.00 O ATOM 0 H TYR A 99 9.648 -3.152 0.086 1.00 0.00 H new ATOM 0 HA TYR A 99 11.333 -2.218 2.241 1.00 0.00 H new ATOM 0 HB2 TYR A 99 9.238 -1.074 1.573 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.316 -2.516 1.950 1.00 0.00 H new ATOM 0 HD1 TYR A 99 8.330 -3.350 4.390 1.00 0.00 H new ATOM 0 HD2 TYR A 99 9.734 0.514 3.269 1.00 0.00 H new ATOM 0 HE1 TYR A 99 8.082 -2.588 6.711 1.00 0.00 H new ATOM 0 HE2 TYR A 99 9.493 1.276 5.591 1.00 0.00 H new ATOM 0 HH TYR A 99 8.911 0.755 7.658 1.00 0.00 H new ATOM 1544 N THR A 104 4.447 -1.822 11.285 1.00 0.00 N ATOM 1545 CA THR A 104 3.569 -0.917 12.015 1.00 0.00 C ATOM 1546 C THR A 104 3.642 0.496 11.450 1.00 0.00 C ATOM 1547 O THR A 104 4.727 1.011 11.179 1.00 0.00 O ATOM 1548 CB THR A 104 3.924 -0.878 13.514 1.00 0.00 C ATOM 1549 OG1 THR A 104 5.293 -0.496 13.683 1.00 0.00 O ATOM 1550 CG2 THR A 104 3.686 -2.233 14.162 1.00 0.00 C ATOM 0 HA THR A 104 2.555 -1.299 11.899 1.00 0.00 H new ATOM 0 HB THR A 104 3.280 -0.144 13.998 1.00 0.00 H new ATOM 0 HG1 THR A 104 5.832 -0.884 12.963 1.00 0.00 H new ATOM 0 HG21 THR A 104 3.944 -2.181 15.220 1.00 0.00 H new ATOM 0 HG22 THR A 104 2.636 -2.507 14.057 1.00 0.00 H new ATOM 0 HG23 THR A 104 4.307 -2.984 13.674 1.00 0.00 H new ATOM 1558 N ARG A 105 2.481 1.120 11.275 1.00 0.00 N ATOM 1559 CA ARG A 105 2.415 2.475 10.741 1.00 0.00 C ATOM 1560 C ARG A 105 3.609 3.302 11.207 1.00 0.00 C ATOM 1561 O ARG A 105 4.144 4.116 10.455 1.00 0.00 O ATOM 1562 CB ARG A 105 1.113 3.152 11.173 1.00 0.00 C ATOM 1563 CG ARG A 105 1.140 3.671 12.601 1.00 0.00 C ATOM 1564 CD ARG A 105 -0.262 3.791 13.178 1.00 0.00 C ATOM 1565 NE ARG A 105 -0.249 4.286 14.551 1.00 0.00 N ATOM 1566 CZ ARG A 105 -1.222 4.056 15.425 1.00 0.00 C ATOM 1567 NH1 ARG A 105 -2.281 3.341 15.070 1.00 0.00 N ATOM 1568 NH2 ARG A 105 -1.138 4.541 16.657 1.00 0.00 N ATOM 0 H ARG A 105 1.574 0.709 11.495 1.00 0.00 H new ATOM 0 HA ARG A 105 2.441 2.412 9.653 1.00 0.00 H new ATOM 0 HB2 ARG A 105 0.904 3.982 10.498 1.00 0.00 H new ATOM 0 HB3 ARG A 105 0.293 2.442 11.069 1.00 0.00 H new ATOM 0 HG2 ARG A 105 1.734 3.000 13.222 1.00 0.00 H new ATOM 0 HG3 ARG A 105 1.629 4.645 12.626 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.853 4.463 12.556 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -0.750 2.817 13.149 1.00 0.00 H new ATOM 0 HE ARG A 105 0.552 4.839 14.856 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -2.349 2.966 14.124 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -3.027 3.166 15.743 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -0.325 5.091 16.934 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -1.886 4.363 17.327 1.00 0.00 H new ATOM 1582 N SER A 106 4.022 3.087 12.452 1.00 0.00 N ATOM 1583 CA SER A 106 5.151 3.816 13.020 1.00 0.00 C ATOM 1584 C SER A 106 6.381 3.692 12.127 1.00 0.00 C ATOM 1585 O SER A 106 7.019 4.690 11.788 1.00 0.00 O ATOM 1586 CB SER A 106 5.469 3.293 14.422 1.00 0.00 C ATOM 1587 OG SER A 106 4.364 3.462 15.292 1.00 0.00 O ATOM 0 H SER A 106 3.592 2.414 13.087 1.00 0.00 H new ATOM 0 HA SER A 106 4.877 4.869 13.087 1.00 0.00 H new ATOM 0 HB2 SER A 106 5.735 2.237 14.368 1.00 0.00 H new ATOM 0 HB3 SER A 106 6.335 3.820 14.822 1.00 0.00 H new ATOM 0 HG SER A 106 4.592 3.118 16.181 1.00 0.00 H new ATOM 1593 N ASP A 107 6.710 2.461 11.750 1.00 0.00 N ATOM 1594 CA ASP A 107 7.863 2.206 10.895 1.00 0.00 C ATOM 1595 C ASP A 107 7.536 2.507 9.436 1.00 0.00 C ATOM 1596 O ASP A 107 8.267 3.235 8.764 1.00 0.00 O ATOM 1597 CB ASP A 107 8.319 0.753 11.040 1.00 0.00 C ATOM 1598 CG ASP A 107 8.718 0.410 12.461 1.00 0.00 C ATOM 1599 OD1 ASP A 107 8.154 1.013 13.399 1.00 0.00 O ATOM 1600 OD2 ASP A 107 9.594 -0.463 12.637 1.00 0.00 O ATOM 0 H ASP A 107 6.194 1.624 12.023 1.00 0.00 H new ATOM 0 HA ASP A 107 8.671 2.866 11.210 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.515 0.090 10.721 1.00 0.00 H new ATOM 0 HB3 ASP A 107 9.164 0.572 10.375 1.00 0.00 H new ATOM 1605 N ILE A 108 6.435 1.941 8.953 1.00 0.00 N ATOM 1606 CA ILE A 108 6.012 2.149 7.574 1.00 0.00 C ATOM 1607 C ILE A 108 6.078 3.624 7.195 1.00 0.00 C ATOM 1608 O ILE A 108 6.562 3.980 6.121 1.00 0.00 O ATOM 1609 CB ILE A 108 4.579 1.634 7.341 1.00 0.00 C ATOM 1610 CG1 ILE A 108 4.505 0.129 7.607 1.00 0.00 C ATOM 1611 CG2 ILE A 108 4.127 1.950 5.923 1.00 0.00 C ATOM 1612 CD1 ILE A 108 3.136 -0.340 8.048 1.00 0.00 C ATOM 0 H ILE A 108 5.820 1.335 9.496 1.00 0.00 H new ATOM 0 HA ILE A 108 6.699 1.584 6.945 1.00 0.00 H new ATOM 0 HB ILE A 108 3.909 2.140 8.036 1.00 0.00 H new ATOM 0 HG12 ILE A 108 4.789 -0.406 6.701 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.234 -0.133 8.374 1.00 0.00 H new ATOM 0 HG21 ILE A 108 3.113 1.580 5.773 1.00 0.00 H new ATOM 0 HG22 ILE A 108 4.147 3.029 5.767 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.798 1.468 5.211 1.00 0.00 H new ATOM 0 HD11 ILE A 108 3.158 -1.416 8.218 1.00 0.00 H new ATOM 0 HD12 ILE A 108 2.857 0.168 8.971 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.405 -0.110 7.273 1.00 0.00 H new ATOM 1624 N VAL A 109 5.590 4.481 8.087 1.00 0.00 N ATOM 1625 CA VAL A 109 5.595 5.919 7.848 1.00 0.00 C ATOM 1626 C VAL A 109 7.014 6.477 7.885 1.00 0.00 C ATOM 1627 O VAL A 109 7.414 7.244 7.010 1.00 0.00 O ATOM 1628 CB VAL A 109 4.735 6.664 8.886 1.00 0.00 C ATOM 1629 CG1 VAL A 109 4.896 8.169 8.733 1.00 0.00 C ATOM 1630 CG2 VAL A 109 3.275 6.260 8.756 1.00 0.00 C ATOM 0 H VAL A 109 5.186 4.204 8.982 1.00 0.00 H new ATOM 0 HA VAL A 109 5.171 6.076 6.856 1.00 0.00 H new ATOM 0 HB VAL A 109 5.078 6.386 9.883 1.00 0.00 H new ATOM 0 HG11 VAL A 109 4.281 8.678 9.475 1.00 0.00 H new ATOM 0 HG12 VAL A 109 5.941 8.440 8.881 1.00 0.00 H new ATOM 0 HG13 VAL A 109 4.581 8.469 7.733 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.682 6.796 9.497 1.00 0.00 H new ATOM 0 HG22 VAL A 109 2.917 6.507 7.757 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.178 5.187 8.921 1.00 0.00 H new ATOM 1640 N SER A 110 7.771 6.085 8.905 1.00 0.00 N ATOM 1641 CA SER A 110 9.145 6.548 9.059 1.00 0.00 C ATOM 1642 C SER A 110 9.903 6.450 7.738 1.00 0.00 C ATOM 1643 O SER A 110 10.643 7.360 7.365 1.00 0.00 O ATOM 1644 CB SER A 110 9.864 5.731 10.135 1.00 0.00 C ATOM 1645 OG SER A 110 11.219 6.128 10.257 1.00 0.00 O ATOM 0 H SER A 110 7.456 5.448 9.637 1.00 0.00 H new ATOM 0 HA SER A 110 9.117 7.594 9.365 1.00 0.00 H new ATOM 0 HB2 SER A 110 9.357 5.858 11.092 1.00 0.00 H new ATOM 0 HB3 SER A 110 9.813 4.671 9.886 1.00 0.00 H new ATOM 0 HG SER A 110 11.656 5.592 10.952 1.00 0.00 H new ATOM 1651 N ARG A 111 9.712 5.338 7.036 1.00 0.00 N ATOM 1652 CA ARG A 111 10.378 5.118 5.757 1.00 0.00 C ATOM 1653 C ARG A 111 9.851 6.081 4.698 1.00 0.00 C ATOM 1654 O ARG A 111 10.615 6.835 4.095 1.00 0.00 O ATOM 1655 CB ARG A 111 10.176 3.674 5.294 1.00 0.00 C ATOM 1656 CG ARG A 111 10.550 3.443 3.840 1.00 0.00 C ATOM 1657 CD ARG A 111 12.057 3.358 3.659 1.00 0.00 C ATOM 1658 NE ARG A 111 12.424 2.960 2.302 1.00 0.00 N ATOM 1659 CZ ARG A 111 13.658 2.620 1.944 1.00 0.00 C ATOM 1660 NH1 ARG A 111 14.637 2.630 2.838 1.00 0.00 N ATOM 1661 NH2 ARG A 111 13.913 2.270 0.690 1.00 0.00 N ATOM 0 H ARG A 111 9.102 4.576 7.331 1.00 0.00 H new ATOM 0 HA ARG A 111 11.443 5.302 5.894 1.00 0.00 H new ATOM 0 HB2 ARG A 111 10.772 3.013 5.923 1.00 0.00 H new ATOM 0 HB3 ARG A 111 9.132 3.397 5.440 1.00 0.00 H new ATOM 0 HG2 ARG A 111 10.087 2.522 3.486 1.00 0.00 H new ATOM 0 HG3 ARG A 111 10.154 4.254 3.228 1.00 0.00 H new ATOM 0 HD2 ARG A 111 12.505 4.325 3.887 1.00 0.00 H new ATOM 0 HD3 ARG A 111 12.468 2.642 4.370 1.00 0.00 H new ATOM 0 HE ARG A 111 11.693 2.942 1.591 1.00 0.00 H new ATOM 0 HH11 ARG A 111 14.444 2.899 3.803 1.00 0.00 H new ATOM 0 HH12 ARG A 111 15.583 2.369 2.561 1.00 0.00 H new ATOM 0 HH21 ARG A 111 13.162 2.262 0.000 1.00 0.00 H new ATOM 0 HH22 ARG A 111 14.860 2.009 0.416 1.00 0.00 H new ATOM 1675 N ALA A 112 8.541 6.050 4.476 1.00 0.00 N ATOM 1676 CA ALA A 112 7.912 6.921 3.490 1.00 0.00 C ATOM 1677 C ALA A 112 8.530 8.315 3.517 1.00 0.00 C ATOM 1678 O ALA A 112 8.709 8.946 2.474 1.00 0.00 O ATOM 1679 CB ALA A 112 6.413 7.001 3.737 1.00 0.00 C ATOM 0 H ALA A 112 7.895 5.431 4.966 1.00 0.00 H new ATOM 0 HA ALA A 112 8.084 6.495 2.502 1.00 0.00 H new ATOM 0 HB1 ALA A 112 5.956 7.654 2.994 1.00 0.00 H new ATOM 0 HB2 ALA A 112 5.978 6.005 3.660 1.00 0.00 H new ATOM 0 HB3 ALA A 112 6.229 7.401 4.734 1.00 0.00 H new ATOM 1685 N LEU A 113 8.852 8.792 4.714 1.00 0.00 N ATOM 1686 CA LEU A 113 9.450 10.113 4.876 1.00 0.00 C ATOM 1687 C LEU A 113 10.851 10.154 4.275 1.00 0.00 C ATOM 1688 O LEU A 113 11.200 11.087 3.552 1.00 0.00 O ATOM 1689 CB LEU A 113 9.506 10.491 6.357 1.00 0.00 C ATOM 1690 CG LEU A 113 8.166 10.819 7.017 1.00 0.00 C ATOM 1691 CD1 LEU A 113 8.331 10.947 8.524 1.00 0.00 C ATOM 1692 CD2 LEU A 113 7.583 12.097 6.433 1.00 0.00 C ATOM 0 H LEU A 113 8.709 8.284 5.587 1.00 0.00 H new ATOM 0 HA LEU A 113 8.827 10.834 4.347 1.00 0.00 H new ATOM 0 HB2 LEU A 113 9.966 9.668 6.904 1.00 0.00 H new ATOM 0 HB3 LEU A 113 10.163 11.354 6.467 1.00 0.00 H new ATOM 0 HG LEU A 113 7.473 10.002 6.815 1.00 0.00 H new ATOM 0 HD11 LEU A 113 7.367 11.181 8.977 1.00 0.00 H new ATOM 0 HD12 LEU A 113 8.705 10.007 8.930 1.00 0.00 H new ATOM 0 HD13 LEU A 113 9.039 11.745 8.746 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.630 12.315 6.914 1.00 0.00 H new ATOM 0 HD22 LEU A 113 8.273 12.923 6.604 1.00 0.00 H new ATOM 0 HD23 LEU A 113 7.428 11.970 5.362 1.00 0.00 H new ATOM 1704 N ASP A 114 11.649 9.137 4.579 1.00 0.00 N ATOM 1705 CA ASP A 114 13.012 9.055 4.066 1.00 0.00 C ATOM 1706 C ASP A 114 13.036 9.239 2.552 1.00 0.00 C ATOM 1707 O ASP A 114 14.039 9.672 1.984 1.00 0.00 O ATOM 1708 CB ASP A 114 13.640 7.710 4.439 1.00 0.00 C ATOM 1709 CG ASP A 114 15.135 7.681 4.191 1.00 0.00 C ATOM 1710 OD1 ASP A 114 15.780 8.742 4.325 1.00 0.00 O ATOM 1711 OD2 ASP A 114 15.661 6.597 3.863 1.00 0.00 O ATOM 0 H ASP A 114 11.376 8.358 5.178 1.00 0.00 H new ATOM 0 HA ASP A 114 13.593 9.858 4.520 1.00 0.00 H new ATOM 0 HB2 ASP A 114 13.445 7.500 5.491 1.00 0.00 H new ATOM 0 HB3 ASP A 114 13.163 6.917 3.862 1.00 0.00 H new ATOM 1716 N LEU A 115 11.925 8.907 1.904 1.00 0.00 N ATOM 1717 CA LEU A 115 11.817 9.035 0.455 1.00 0.00 C ATOM 1718 C LEU A 115 11.202 10.377 0.071 1.00 0.00 C ATOM 1719 O LEU A 115 11.695 11.065 -0.824 1.00 0.00 O ATOM 1720 CB LEU A 115 10.976 7.893 -0.117 1.00 0.00 C ATOM 1721 CG LEU A 115 11.373 6.483 0.320 1.00 0.00 C ATOM 1722 CD1 LEU A 115 10.379 5.460 -0.207 1.00 0.00 C ATOM 1723 CD2 LEU A 115 12.781 6.154 -0.154 1.00 0.00 C ATOM 0 H LEU A 115 11.086 8.547 2.359 1.00 0.00 H new ATOM 0 HA LEU A 115 12.821 8.983 0.035 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.936 8.059 0.163 1.00 0.00 H new ATOM 0 HB3 LEU A 115 11.025 7.942 -1.205 1.00 0.00 H new ATOM 0 HG LEU A 115 11.359 6.444 1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 115 10.679 4.462 0.114 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.386 5.684 0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 115 10.359 5.500 -1.296 1.00 0.00 H new ATOM 0 HD21 LEU A 115 13.047 5.147 0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 115 12.821 6.212 -1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 115 13.485 6.868 0.274 1.00 0.00 H new ATOM 1735 N PHE A 116 10.123 10.745 0.754 1.00 0.00 N ATOM 1736 CA PHE A 116 9.440 12.005 0.486 1.00 0.00 C ATOM 1737 C PHE A 116 10.437 13.089 0.085 1.00 0.00 C ATOM 1738 O PHE A 116 10.261 13.765 -0.928 1.00 0.00 O ATOM 1739 CB PHE A 116 8.650 12.453 1.716 1.00 0.00 C ATOM 1740 CG PHE A 116 8.116 13.853 1.608 1.00 0.00 C ATOM 1741 CD1 PHE A 116 7.193 14.183 0.628 1.00 0.00 C ATOM 1742 CD2 PHE A 116 8.535 14.839 2.487 1.00 0.00 C ATOM 1743 CE1 PHE A 116 6.701 15.471 0.526 1.00 0.00 C ATOM 1744 CE2 PHE A 116 8.046 16.128 2.390 1.00 0.00 C ATOM 1745 CZ PHE A 116 7.127 16.444 1.409 1.00 0.00 C ATOM 0 H PHE A 116 9.703 10.188 1.498 1.00 0.00 H new ATOM 0 HA PHE A 116 8.749 11.846 -0.342 1.00 0.00 H new ATOM 0 HB2 PHE A 116 7.818 11.766 1.874 1.00 0.00 H new ATOM 0 HB3 PHE A 116 9.291 12.384 2.595 1.00 0.00 H new ATOM 0 HD1 PHE A 116 6.854 13.426 -0.064 1.00 0.00 H new ATOM 0 HD2 PHE A 116 9.252 14.597 3.257 1.00 0.00 H new ATOM 0 HE1 PHE A 116 5.984 15.716 -0.244 1.00 0.00 H new ATOM 0 HE2 PHE A 116 8.382 16.887 3.081 1.00 0.00 H new ATOM 0 HZ PHE A 116 6.742 17.450 1.332 1.00 0.00 H new ATOM 1755 N SER A 117 11.484 13.248 0.889 1.00 0.00 N ATOM 1756 CA SER A 117 12.507 14.252 0.622 1.00 0.00 C ATOM 1757 C SER A 117 13.170 14.006 -0.731 1.00 0.00 C ATOM 1758 O SER A 117 13.361 14.932 -1.518 1.00 0.00 O ATOM 1759 CB SER A 117 13.563 14.242 1.729 1.00 0.00 C ATOM 1760 OG SER A 117 14.179 15.511 1.857 1.00 0.00 O ATOM 0 H SER A 117 11.646 12.694 1.730 1.00 0.00 H new ATOM 0 HA SER A 117 12.024 15.229 0.599 1.00 0.00 H new ATOM 0 HB2 SER A 117 13.100 13.962 2.675 1.00 0.00 H new ATOM 0 HB3 SER A 117 14.319 13.488 1.508 1.00 0.00 H new ATOM 0 HG SER A 117 14.849 15.479 2.572 1.00 0.00 H new ATOM 1766 N ASP A 118 13.517 12.751 -0.992 1.00 0.00 N ATOM 1767 CA ASP A 118 14.158 12.381 -2.249 1.00 0.00 C ATOM 1768 C ASP A 118 13.401 12.967 -3.437 1.00 0.00 C ATOM 1769 O ASP A 118 13.968 13.702 -4.245 1.00 0.00 O ATOM 1770 CB ASP A 118 14.235 10.859 -2.378 1.00 0.00 C ATOM 1771 CG ASP A 118 14.874 10.207 -1.168 1.00 0.00 C ATOM 1772 OD1 ASP A 118 14.746 10.763 -0.057 1.00 0.00 O ATOM 1773 OD2 ASP A 118 15.500 9.139 -1.331 1.00 0.00 O ATOM 0 H ASP A 118 13.365 11.973 -0.351 1.00 0.00 H new ATOM 0 HA ASP A 118 15.169 12.789 -2.248 1.00 0.00 H new ATOM 0 HB2 ASP A 118 13.231 10.458 -2.515 1.00 0.00 H new ATOM 0 HB3 ASP A 118 14.806 10.601 -3.270 1.00 0.00 H new ATOM 1778 N ASN A 119 12.118 12.635 -3.538 1.00 0.00 N ATOM 1779 CA ASN A 119 11.285 13.127 -4.628 1.00 0.00 C ATOM 1780 C ASN A 119 10.740 14.517 -4.312 1.00 0.00 C ATOM 1781 O ASN A 119 11.174 15.511 -4.892 1.00 0.00 O ATOM 1782 CB ASN A 119 10.128 12.161 -4.890 1.00 0.00 C ATOM 1783 CG ASN A 119 10.607 10.784 -5.309 1.00 0.00 C ATOM 1784 OD1 ASN A 119 10.962 10.564 -6.467 1.00 0.00 O ATOM 1785 ND2 ASN A 119 10.621 9.850 -4.365 1.00 0.00 N ATOM 0 H ASN A 119 11.633 12.027 -2.878 1.00 0.00 H new ATOM 0 HA ASN A 119 11.904 13.193 -5.523 1.00 0.00 H new ATOM 0 HB2 ASN A 119 9.521 12.073 -3.989 1.00 0.00 H new ATOM 0 HB3 ASN A 119 9.485 12.571 -5.669 1.00 0.00 H new ATOM 0 HD21 ASN A 119 10.935 8.905 -4.587 1.00 0.00 H new ATOM 0 HD22 ASN A 119 10.318 10.077 -3.418 1.00 0.00 H new