USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 654 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 94 ASN : amide:sc= -0.46 X(o=-0.46,f=-0.075) USER MOD Set 1.2: A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 82 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 88 GLN : amide:sc= -0.0669 X(o=-0.067,f=0) USER MOD Set 3.1: A 57 ASN : amide:sc= -0.0189 X(o=-0.51,f=-0.49) USER MOD Set 3.2: A 63 THR OG1 : rot 180:sc= -0.49 USER MOD Single : A 4 GLN : amide:sc= -0.254 X(o=-0.25,f=-0.053) USER MOD Single : A 10 SER OG : rot 180:sc= -0.219 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 15 SER OG : rot 122:sc= -0.21 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -108:sc= -5.71! (180deg=-11.9!) USER MOD Single : A 25 GLN : amide:sc= -1.44! K(o=-1.4!,f=-0.59) USER MOD Single : A 36 SER OG : rot 15:sc= 0.65 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0035 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.779 K(o=-0.78,f=-3.4!) USER MOD Single : A 49 GLN : amide:sc= -0.644 X(o=-0.64,f=-0.32) USER MOD Single : A 50 GLN : amide:sc= -0.958 K(o=-0.96,f=-2.4!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -147:sc= -1.12! USER MOD Single : A 65 THR OG1 : rot 86:sc= 1.27 USER MOD Single : A 67 TYR OH : rot 180:sc=-0.00421 USER MOD Single : A 68 ASN : amide:sc=-0.00357 X(o=-0.0036,f=0) USER MOD Single : A 70 ASN : amide:sc= -0.837 K(o=-0.84,f=-0.19) USER MOD Single : A 77 TYR OH : rot -130:sc= -1.35 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 75:sc= 0.65 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 43 N LEU A 3 -16.589 3.970 3.428 1.00 0.00 N ATOM 44 CA LEU A 3 -15.188 3.743 3.091 1.00 0.00 C ATOM 45 C LEU A 3 -14.237 4.461 4.050 1.00 0.00 C ATOM 46 O LEU A 3 -14.289 5.682 4.205 1.00 0.00 O ATOM 47 CB LEU A 3 -14.919 4.189 1.653 1.00 0.00 C ATOM 48 CG LEU A 3 -15.335 3.171 0.579 1.00 0.00 C ATOM 49 CD1 LEU A 3 -16.820 3.313 0.220 1.00 0.00 C ATOM 50 CD2 LEU A 3 -14.456 3.313 -0.657 1.00 0.00 C ATOM 0 HA LEU A 3 -14.998 2.674 3.187 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -15.448 5.125 1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -13.855 4.398 1.544 1.00 0.00 H new ATOM 0 HG LEU A 3 -15.193 2.171 0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -17.082 2.579 -0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -17.427 3.145 1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -17.007 4.316 -0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -14.764 2.585 -1.408 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -14.559 4.319 -1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -13.415 3.136 -0.386 1.00 0.00 H new ATOM 62 N GLN A 4 -13.350 3.677 4.665 1.00 0.00 N ATOM 63 CA GLN A 4 -12.345 4.193 5.587 1.00 0.00 C ATOM 64 C GLN A 4 -11.082 3.340 5.451 1.00 0.00 C ATOM 65 O GLN A 4 -11.145 2.116 5.570 1.00 0.00 O ATOM 66 CB GLN A 4 -12.882 4.184 7.028 1.00 0.00 C ATOM 67 CG GLN A 4 -11.847 4.551 8.095 1.00 0.00 C ATOM 68 CD GLN A 4 -12.433 5.363 9.236 1.00 0.00 C ATOM 69 OE1 GLN A 4 -12.284 5.009 10.405 1.00 0.00 O ATOM 70 NE2 GLN A 4 -13.104 6.462 8.901 1.00 0.00 N ATOM 0 H GLN A 4 -13.311 2.666 4.536 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.105 5.228 5.343 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -13.717 4.881 7.095 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -13.276 3.192 7.249 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.407 3.638 8.495 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -11.040 5.117 7.631 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -13.204 6.719 7.919 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -13.519 7.047 9.626 1.00 0.00 H new ATOM 79 N VAL A 5 -9.949 3.987 5.169 1.00 0.00 N ATOM 80 CA VAL A 5 -8.680 3.268 4.980 1.00 0.00 C ATOM 81 C VAL A 5 -7.531 3.974 5.700 1.00 0.00 C ATOM 82 O VAL A 5 -7.554 5.196 5.862 1.00 0.00 O ATOM 83 CB VAL A 5 -8.309 3.107 3.472 1.00 0.00 C ATOM 84 CG1 VAL A 5 -7.430 1.886 3.275 1.00 0.00 C ATOM 85 CG2 VAL A 5 -9.540 3.005 2.573 1.00 0.00 C ATOM 0 H VAL A 5 -9.880 5.000 5.066 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.828 2.277 5.409 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.766 4.006 3.182 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.179 1.785 2.219 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.515 1.999 3.857 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -7.964 0.996 3.607 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -9.225 2.895 1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.134 2.139 2.866 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.141 3.909 2.675 1.00 0.00 H new ATOM 95 N ASP A 6 -6.527 3.194 6.123 1.00 0.00 N ATOM 96 CA ASP A 6 -5.361 3.735 6.824 1.00 0.00 C ATOM 97 C ASP A 6 -4.185 2.759 6.754 1.00 0.00 C ATOM 98 O ASP A 6 -4.343 1.573 7.052 1.00 0.00 O ATOM 99 CB ASP A 6 -5.707 4.019 8.289 1.00 0.00 C ATOM 100 CG ASP A 6 -6.507 5.296 8.468 1.00 0.00 C ATOM 101 OD1 ASP A 6 -5.995 6.373 8.098 1.00 0.00 O ATOM 102 OD2 ASP A 6 -7.645 5.217 8.973 1.00 0.00 O ATOM 0 H ASP A 6 -6.502 2.183 5.990 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.074 4.666 6.335 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -6.275 3.181 8.692 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.786 4.088 8.868 1.00 0.00 H new ATOM 107 N ILE A 7 -3.006 3.265 6.364 1.00 0.00 N ATOM 108 CA ILE A 7 -1.801 2.433 6.262 1.00 0.00 C ATOM 109 C ILE A 7 -1.013 2.473 7.575 1.00 0.00 C ATOM 110 O ILE A 7 -0.972 3.503 8.251 1.00 0.00 O ATOM 111 CB ILE A 7 -0.887 2.872 5.079 1.00 0.00 C ATOM 112 CG1 ILE A 7 -1.709 2.999 3.789 1.00 0.00 C ATOM 113 CG2 ILE A 7 0.263 1.880 4.880 1.00 0.00 C ATOM 114 CD1 ILE A 7 -0.927 3.542 2.609 1.00 0.00 C ATOM 0 H ILE A 7 -2.863 4.244 6.115 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.128 1.412 6.067 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.460 3.845 5.322 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.108 2.019 3.527 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.562 3.651 3.977 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.887 2.208 4.049 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.864 1.833 5.788 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.142 0.892 4.661 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.578 3.601 1.737 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.550 4.536 2.849 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.089 2.879 2.392 1.00 0.00 H new ATOM 126 N VAL A 8 -0.395 1.339 7.931 1.00 0.00 N ATOM 127 CA VAL A 8 0.391 1.225 9.162 1.00 0.00 C ATOM 128 C VAL A 8 1.786 0.655 8.840 1.00 0.00 C ATOM 129 O VAL A 8 1.874 -0.403 8.213 1.00 0.00 O ATOM 130 CB VAL A 8 -0.306 0.298 10.201 1.00 0.00 C ATOM 131 CG1 VAL A 8 0.414 0.336 11.545 1.00 0.00 C ATOM 132 CG2 VAL A 8 -1.775 0.671 10.383 1.00 0.00 C ATOM 0 H VAL A 8 -0.426 0.483 7.378 1.00 0.00 H new ATOM 0 HA VAL A 8 0.480 2.223 9.592 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.256 -0.718 9.809 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.096 -0.321 12.250 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.443 0.001 11.416 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.410 1.355 11.931 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.232 0.005 11.115 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.848 1.700 10.734 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.296 0.575 9.430 1.00 0.00 H new ATOM 142 N PRO A 9 2.908 1.321 9.241 1.00 0.00 N ATOM 143 CA PRO A 9 2.918 2.592 9.992 1.00 0.00 C ATOM 144 C PRO A 9 2.689 3.803 9.088 1.00 0.00 C ATOM 145 O PRO A 9 2.533 3.655 7.873 1.00 0.00 O ATOM 146 CB PRO A 9 4.325 2.619 10.585 1.00 0.00 C ATOM 147 CG PRO A 9 5.161 1.918 9.574 1.00 0.00 C ATOM 148 CD PRO A 9 4.284 0.848 8.975 1.00 0.00 C ATOM 0 HA PRO A 9 2.121 2.645 10.734 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.669 3.640 10.747 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.360 2.114 11.550 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.509 2.611 8.808 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.047 1.482 10.036 1.00 0.00 H new ATOM 0 HD2 PRO A 9 4.467 0.734 7.907 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.468 -0.123 9.435 1.00 0.00 H new ATOM 156 N SER A 10 2.676 5.000 9.687 1.00 0.00 N ATOM 157 CA SER A 10 2.473 6.239 8.935 1.00 0.00 C ATOM 158 C SER A 10 3.722 6.583 8.126 1.00 0.00 C ATOM 159 O SER A 10 3.643 6.813 6.916 1.00 0.00 O ATOM 160 CB SER A 10 2.131 7.390 9.883 1.00 0.00 C ATOM 161 OG SER A 10 3.209 7.664 10.761 1.00 0.00 O ATOM 0 H SER A 10 2.804 5.134 10.690 1.00 0.00 H new ATOM 0 HA SER A 10 1.640 6.090 8.248 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.892 8.283 9.305 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.242 7.138 10.461 1.00 0.00 H new ATOM 0 HG SER A 10 2.967 8.404 11.356 1.00 0.00 H new ATOM 167 N GLN A 11 4.877 6.602 8.802 1.00 0.00 N ATOM 168 CA GLN A 11 6.157 6.902 8.158 1.00 0.00 C ATOM 169 C GLN A 11 7.189 5.842 8.535 1.00 0.00 C ATOM 170 O GLN A 11 7.737 5.869 9.640 1.00 0.00 O ATOM 171 CB GLN A 11 6.654 8.292 8.568 1.00 0.00 C ATOM 172 CG GLN A 11 6.719 8.501 10.074 1.00 0.00 C ATOM 173 CD GLN A 11 6.734 9.970 10.471 1.00 0.00 C ATOM 174 OE1 GLN A 11 7.088 10.839 9.673 1.00 0.00 O ATOM 175 NE2 GLN A 11 6.351 10.260 11.714 1.00 0.00 N ATOM 0 H GLN A 11 4.949 6.411 9.801 1.00 0.00 H new ATOM 0 HA GLN A 11 6.014 6.893 7.077 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.646 8.452 8.145 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.997 9.045 8.134 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.863 8.013 10.540 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.614 8.016 10.464 1.00 0.00 H new ATOM 0 HE21 GLN A 11 6.064 9.513 12.347 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.344 11.229 12.033 1.00 0.00 H new ATOM 184 N GLY A 12 7.430 4.898 7.616 1.00 0.00 N ATOM 185 CA GLY A 12 8.374 3.818 7.870 1.00 0.00 C ATOM 186 C GLY A 12 9.764 4.077 7.318 1.00 0.00 C ATOM 187 O GLY A 12 9.963 4.069 6.101 1.00 0.00 O ATOM 0 H GLY A 12 6.985 4.865 6.699 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.445 3.655 8.945 1.00 0.00 H new ATOM 0 HA3 GLY A 12 7.985 2.898 7.433 1.00 0.00 H new ATOM 191 N GLU A 13 10.735 4.277 8.219 1.00 0.00 N ATOM 192 CA GLU A 13 12.125 4.505 7.824 1.00 0.00 C ATOM 193 C GLU A 13 12.866 3.171 7.785 1.00 0.00 C ATOM 194 O GLU A 13 12.891 2.442 8.778 1.00 0.00 O ATOM 195 CB GLU A 13 12.812 5.468 8.795 1.00 0.00 C ATOM 196 CG GLU A 13 12.539 6.934 8.494 1.00 0.00 C ATOM 197 CD GLU A 13 11.072 7.298 8.624 1.00 0.00 C ATOM 198 OE1 GLU A 13 10.332 7.149 7.629 1.00 0.00 O ATOM 199 OE2 GLU A 13 10.663 7.734 9.721 1.00 0.00 O ATOM 0 H GLU A 13 10.580 4.285 9.227 1.00 0.00 H new ATOM 0 HA GLU A 13 12.143 4.957 6.832 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.480 5.246 9.809 1.00 0.00 H new ATOM 0 HB3 GLU A 13 13.888 5.294 8.766 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.124 7.555 9.173 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.877 7.162 7.483 1.00 0.00 H new ATOM 206 N ILE A 14 13.446 2.846 6.625 1.00 0.00 N ATOM 207 CA ILE A 14 14.161 1.585 6.433 1.00 0.00 C ATOM 208 C ILE A 14 15.465 1.816 5.648 1.00 0.00 C ATOM 209 O ILE A 14 15.656 2.877 5.050 1.00 0.00 O ATOM 210 CB ILE A 14 13.214 0.570 5.702 1.00 0.00 C ATOM 211 CG1 ILE A 14 11.994 0.240 6.601 1.00 0.00 C ATOM 212 CG2 ILE A 14 13.926 -0.718 5.279 1.00 0.00 C ATOM 213 CD1 ILE A 14 10.685 0.815 6.097 1.00 0.00 C ATOM 0 H ILE A 14 13.432 3.446 5.800 1.00 0.00 H new ATOM 0 HA ILE A 14 14.442 1.167 7.400 1.00 0.00 H new ATOM 0 HB ILE A 14 12.878 1.055 4.785 1.00 0.00 H new ATOM 0 HG12 ILE A 14 11.897 -0.843 6.681 1.00 0.00 H new ATOM 0 HG13 ILE A 14 12.183 0.618 7.606 1.00 0.00 H new ATOM 0 HG21 ILE A 14 13.217 -1.378 4.779 1.00 0.00 H new ATOM 0 HG22 ILE A 14 14.740 -0.476 4.596 1.00 0.00 H new ATOM 0 HG23 ILE A 14 14.328 -1.218 6.160 1.00 0.00 H new ATOM 0 HD11 ILE A 14 9.880 0.541 6.779 1.00 0.00 H new ATOM 0 HD12 ILE A 14 10.761 1.901 6.044 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.471 0.417 5.105 1.00 0.00 H new ATOM 225 N SER A 15 16.368 0.823 5.671 1.00 0.00 N ATOM 226 CA SER A 15 17.655 0.921 4.970 1.00 0.00 C ATOM 227 C SER A 15 17.692 0.022 3.728 1.00 0.00 C ATOM 228 O SER A 15 16.908 -0.930 3.590 1.00 0.00 O ATOM 229 CB SER A 15 18.831 0.576 5.907 1.00 0.00 C ATOM 230 OG SER A 15 18.393 0.280 7.224 1.00 0.00 O ATOM 0 H SER A 15 16.229 -0.057 6.168 1.00 0.00 H new ATOM 0 HA SER A 15 17.761 1.956 4.645 1.00 0.00 H new ATOM 0 HB2 SER A 15 19.376 -0.279 5.506 1.00 0.00 H new ATOM 0 HB3 SER A 15 19.528 1.413 5.937 1.00 0.00 H new ATOM 0 HG SER A 15 18.689 -0.621 7.472 1.00 0.00 H new ATOM 236 N VAL A 16 18.646 0.311 2.837 1.00 0.00 N ATOM 237 CA VAL A 16 18.819 -0.472 1.618 1.00 0.00 C ATOM 238 C VAL A 16 19.322 -1.864 1.980 1.00 0.00 C ATOM 239 O VAL A 16 20.199 -2.010 2.837 1.00 0.00 O ATOM 240 CB VAL A 16 19.794 0.205 0.616 1.00 0.00 C ATOM 241 CG1 VAL A 16 19.855 -0.560 -0.710 1.00 0.00 C ATOM 242 CG2 VAL A 16 19.396 1.658 0.371 1.00 0.00 C ATOM 0 H VAL A 16 19.307 1.081 2.940 1.00 0.00 H new ATOM 0 HA VAL A 16 17.850 -0.540 1.124 1.00 0.00 H new ATOM 0 HB VAL A 16 20.788 0.185 1.062 1.00 0.00 H new ATOM 0 HG11 VAL A 16 20.546 -0.059 -1.388 1.00 0.00 H new ATOM 0 HG12 VAL A 16 20.200 -1.578 -0.527 1.00 0.00 H new ATOM 0 HG13 VAL A 16 18.863 -0.588 -1.160 1.00 0.00 H new ATOM 0 HG21 VAL A 16 20.093 2.112 -0.334 1.00 0.00 H new ATOM 0 HG22 VAL A 16 18.388 1.694 -0.041 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.423 2.206 1.313 1.00 0.00 H new ATOM 252 N GLY A 17 18.733 -2.879 1.349 1.00 0.00 N ATOM 253 CA GLY A 17 19.097 -4.253 1.637 1.00 0.00 C ATOM 254 C GLY A 17 18.135 -4.917 2.612 1.00 0.00 C ATOM 255 O GLY A 17 18.104 -6.147 2.693 1.00 0.00 O ATOM 0 H GLY A 17 18.007 -2.770 0.641 1.00 0.00 H new ATOM 0 HA2 GLY A 17 19.119 -4.822 0.708 1.00 0.00 H new ATOM 0 HA3 GLY A 17 20.105 -4.280 2.051 1.00 0.00 H new ATOM 259 N GLU A 18 17.327 -4.115 3.348 1.00 0.00 N ATOM 260 CA GLU A 18 16.354 -4.681 4.298 1.00 0.00 C ATOM 261 C GLU A 18 14.932 -4.436 3.794 1.00 0.00 C ATOM 262 O GLU A 18 14.675 -3.437 3.117 1.00 0.00 O ATOM 263 CB GLU A 18 16.553 -4.129 5.721 1.00 0.00 C ATOM 264 CG GLU A 18 16.866 -2.650 5.801 1.00 0.00 C ATOM 265 CD GLU A 18 17.037 -2.178 7.230 1.00 0.00 C ATOM 266 OE1 GLU A 18 18.178 -2.223 7.737 1.00 0.00 O ATOM 267 OE2 GLU A 18 16.031 -1.765 7.843 1.00 0.00 O ATOM 0 H GLU A 18 17.332 -3.096 3.300 1.00 0.00 H new ATOM 0 HA GLU A 18 16.521 -5.756 4.358 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.650 -4.325 6.299 1.00 0.00 H new ATOM 0 HB3 GLU A 18 17.362 -4.682 6.198 1.00 0.00 H new ATOM 0 HG2 GLU A 18 17.777 -2.442 5.240 1.00 0.00 H new ATOM 0 HG3 GLU A 18 16.064 -2.084 5.327 1.00 0.00 H new ATOM 274 N SER A 19 14.027 -5.382 4.077 1.00 0.00 N ATOM 275 CA SER A 19 12.646 -5.297 3.597 1.00 0.00 C ATOM 276 C SER A 19 11.763 -4.360 4.427 1.00 0.00 C ATOM 277 O SER A 19 12.212 -3.777 5.415 1.00 0.00 O ATOM 278 CB SER A 19 12.025 -6.693 3.527 1.00 0.00 C ATOM 279 OG SER A 19 11.932 -7.281 4.815 1.00 0.00 O ATOM 0 H SER A 19 14.228 -6.212 4.635 1.00 0.00 H new ATOM 0 HA SER A 19 12.694 -4.862 2.599 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.032 -6.630 3.081 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.626 -7.329 2.877 1.00 0.00 H new ATOM 0 HG SER A 19 11.530 -8.172 4.740 1.00 0.00 H new ATOM 285 N LYS A 20 10.503 -4.202 3.984 1.00 0.00 N ATOM 286 CA LYS A 20 9.540 -3.308 4.647 1.00 0.00 C ATOM 287 C LYS A 20 8.134 -3.481 4.069 1.00 0.00 C ATOM 288 O LYS A 20 7.916 -3.217 2.885 1.00 0.00 O ATOM 289 CB LYS A 20 9.962 -1.833 4.479 1.00 0.00 C ATOM 290 CG LYS A 20 10.557 -1.506 3.104 1.00 0.00 C ATOM 291 CD LYS A 20 9.910 -0.286 2.444 1.00 0.00 C ATOM 292 CE LYS A 20 10.911 0.525 1.623 1.00 0.00 C ATOM 293 NZ LYS A 20 10.335 1.037 0.338 1.00 0.00 N ATOM 0 H LYS A 20 10.128 -4.684 3.167 1.00 0.00 H new ATOM 0 HA LYS A 20 9.530 -3.573 5.704 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.094 -1.196 4.648 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.694 -1.586 5.248 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.627 -1.329 3.211 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.441 -2.370 2.450 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.095 -0.614 1.799 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.472 0.351 3.212 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.263 1.368 2.218 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.780 -0.095 1.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.742 0.508 -0.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.303 0.912 0.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.561 2.047 0.235 1.00 0.00 H new ATOM 307 N PHE A 21 7.177 -3.893 4.911 1.00 0.00 N ATOM 308 CA PHE A 21 5.781 -4.064 4.474 1.00 0.00 C ATOM 309 C PHE A 21 4.868 -3.029 5.129 1.00 0.00 C ATOM 310 O PHE A 21 5.139 -2.571 6.241 1.00 0.00 O ATOM 311 CB PHE A 21 5.265 -5.483 4.752 1.00 0.00 C ATOM 312 CG PHE A 21 5.189 -5.864 6.203 1.00 0.00 C ATOM 313 CD1 PHE A 21 4.133 -5.438 6.997 1.00 0.00 C ATOM 314 CD2 PHE A 21 6.174 -6.653 6.765 1.00 0.00 C ATOM 315 CE1 PHE A 21 4.067 -5.794 8.330 1.00 0.00 C ATOM 316 CE2 PHE A 21 6.114 -7.013 8.098 1.00 0.00 C ATOM 317 CZ PHE A 21 5.060 -6.581 8.882 1.00 0.00 C ATOM 0 H PHE A 21 7.340 -4.113 5.893 1.00 0.00 H new ATOM 0 HA PHE A 21 5.764 -3.909 3.395 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.272 -5.583 4.314 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.913 -6.195 4.240 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.356 -4.823 6.569 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.999 -6.992 6.156 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.241 -5.458 8.940 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.889 -7.631 8.527 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.013 -6.858 9.925 1.00 0.00 H new ATOM 327 N PHE A 22 3.786 -2.661 4.428 1.00 0.00 N ATOM 328 CA PHE A 22 2.829 -1.665 4.945 1.00 0.00 C ATOM 329 C PHE A 22 1.391 -2.186 4.883 1.00 0.00 C ATOM 330 O PHE A 22 0.880 -2.517 3.817 1.00 0.00 O ATOM 331 CB PHE A 22 2.986 -0.353 4.184 1.00 0.00 C ATOM 332 CG PHE A 22 4.371 0.207 4.318 1.00 0.00 C ATOM 333 CD1 PHE A 22 5.369 -0.165 3.435 1.00 0.00 C ATOM 334 CD2 PHE A 22 4.682 1.078 5.349 1.00 0.00 C ATOM 335 CE1 PHE A 22 6.653 0.321 3.575 1.00 0.00 C ATOM 336 CE2 PHE A 22 5.963 1.573 5.493 1.00 0.00 C ATOM 337 CZ PHE A 22 6.952 1.193 4.607 1.00 0.00 C ATOM 0 H PHE A 22 3.550 -3.033 3.508 1.00 0.00 H new ATOM 0 HA PHE A 22 3.051 -1.482 5.996 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.760 -0.515 3.130 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.263 0.372 4.557 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.141 -0.844 2.627 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.914 1.373 6.048 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.423 0.021 2.880 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.191 2.256 6.297 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.956 1.575 4.719 1.00 0.00 H new ATOM 347 N LEU A 23 0.764 -2.293 6.057 1.00 0.00 N ATOM 348 CA LEU A 23 -0.596 -2.830 6.178 1.00 0.00 C ATOM 349 C LEU A 23 -1.704 -1.836 5.811 1.00 0.00 C ATOM 350 O LEU A 23 -1.891 -0.827 6.483 1.00 0.00 O ATOM 351 CB LEU A 23 -0.808 -3.317 7.613 1.00 0.00 C ATOM 352 CG LEU A 23 -1.880 -4.381 7.785 1.00 0.00 C ATOM 353 CD1 LEU A 23 -1.522 -5.624 6.983 1.00 0.00 C ATOM 354 CD2 LEU A 23 -2.055 -4.721 9.258 1.00 0.00 C ATOM 0 H LEU A 23 1.180 -2.012 6.945 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.673 -3.644 5.457 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.136 -3.711 7.989 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.066 -2.460 8.236 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.826 -3.991 7.409 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.298 -6.378 7.115 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.443 -5.365 5.927 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.568 -6.020 7.332 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.826 -5.484 9.366 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.114 -5.097 9.659 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.351 -3.826 9.805 1.00 0.00 H new ATOM 366 N CYS A 24 -2.474 -2.166 4.762 1.00 0.00 N ATOM 367 CA CYS A 24 -3.602 -1.331 4.326 1.00 0.00 C ATOM 368 C CYS A 24 -4.895 -1.847 4.960 1.00 0.00 C ATOM 369 O CYS A 24 -5.513 -2.791 4.453 1.00 0.00 O ATOM 370 CB CYS A 24 -3.711 -1.318 2.785 1.00 0.00 C ATOM 371 SG CYS A 24 -5.123 -0.380 2.087 1.00 0.00 S ATOM 0 H CYS A 24 -2.335 -3.006 4.200 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.432 -0.305 4.653 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.789 -0.903 2.379 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.777 -2.349 2.437 1.00 0.00 H new ATOM 376 N GLN A 25 -5.287 -1.221 6.078 1.00 0.00 N ATOM 377 CA GLN A 25 -6.499 -1.603 6.801 1.00 0.00 C ATOM 378 C GLN A 25 -7.701 -0.844 6.250 1.00 0.00 C ATOM 379 O GLN A 25 -7.559 0.284 5.774 1.00 0.00 O ATOM 380 CB GLN A 25 -6.346 -1.322 8.299 1.00 0.00 C ATOM 381 CG GLN A 25 -5.064 -1.882 8.902 1.00 0.00 C ATOM 382 CD GLN A 25 -4.971 -1.656 10.403 1.00 0.00 C ATOM 383 OE1 GLN A 25 -5.544 -0.705 10.934 1.00 0.00 O ATOM 384 NE2 GLN A 25 -4.244 -2.530 11.097 1.00 0.00 N ATOM 0 H GLN A 25 -4.777 -0.445 6.500 1.00 0.00 H new ATOM 0 HA GLN A 25 -6.658 -2.672 6.663 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.372 -0.245 8.462 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.200 -1.745 8.828 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.008 -2.951 8.696 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.206 -1.418 8.415 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.785 -3.305 10.619 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.147 -2.424 12.107 1.00 0.00 H new ATOM 393 N VAL A 26 -8.882 -1.473 6.298 1.00 0.00 N ATOM 394 CA VAL A 26 -10.107 -0.860 5.783 1.00 0.00 C ATOM 395 C VAL A 26 -11.187 -0.721 6.862 1.00 0.00 C ATOM 396 O VAL A 26 -11.017 -1.180 7.992 1.00 0.00 O ATOM 397 CB VAL A 26 -10.668 -1.684 4.598 1.00 0.00 C ATOM 398 CG1 VAL A 26 -9.646 -1.732 3.471 1.00 0.00 C ATOM 399 CG2 VAL A 26 -11.074 -3.104 5.029 1.00 0.00 C ATOM 0 H VAL A 26 -9.012 -2.406 6.689 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.840 0.141 5.445 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.571 -1.189 4.240 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.047 -2.313 2.641 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.429 -0.719 3.133 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.729 -2.199 3.831 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.462 -3.648 4.168 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.204 -3.626 5.426 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.844 -3.045 5.798 1.00 0.00 H new ATOM 409 N ALA A 27 -12.303 -0.092 6.482 1.00 0.00 N ATOM 410 CA ALA A 27 -13.439 0.111 7.382 1.00 0.00 C ATOM 411 C ALA A 27 -14.638 0.657 6.601 1.00 0.00 C ATOM 412 O ALA A 27 -14.597 1.782 6.097 1.00 0.00 O ATOM 413 CB ALA A 27 -13.061 1.043 8.535 1.00 0.00 C ATOM 0 H ALA A 27 -12.443 0.289 5.546 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.718 -0.850 7.814 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.921 1.179 9.190 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -12.239 0.606 9.102 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.753 2.009 8.136 1.00 0.00 H new ATOM 504 N ASP A 34 -12.571 -2.941 -3.406 1.00 0.00 N ATOM 505 CA ASP A 34 -11.411 -3.372 -4.195 1.00 0.00 C ATOM 506 C ASP A 34 -10.146 -2.612 -3.799 1.00 0.00 C ATOM 507 O ASP A 34 -10.016 -1.425 -4.101 1.00 0.00 O ATOM 508 CB ASP A 34 -11.688 -3.162 -5.685 1.00 0.00 C ATOM 509 CG ASP A 34 -12.912 -3.920 -6.156 1.00 0.00 C ATOM 510 OD1 ASP A 34 -14.038 -3.498 -5.818 1.00 0.00 O ATOM 511 OD2 ASP A 34 -12.747 -4.938 -6.862 1.00 0.00 O ATOM 0 HA ASP A 34 -11.247 -4.431 -3.993 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.825 -2.098 -5.880 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.821 -3.483 -6.262 1.00 0.00 H new ATOM 516 N ILE A 35 -9.218 -3.308 -3.131 1.00 0.00 N ATOM 517 CA ILE A 35 -7.953 -2.709 -2.690 1.00 0.00 C ATOM 518 C ILE A 35 -7.003 -2.482 -3.878 1.00 0.00 C ATOM 519 O ILE A 35 -7.132 -3.127 -4.920 1.00 0.00 O ATOM 520 CB ILE A 35 -7.249 -3.591 -1.613 1.00 0.00 C ATOM 521 CG1 ILE A 35 -8.227 -3.964 -0.477 1.00 0.00 C ATOM 522 CG2 ILE A 35 -6.017 -2.884 -1.044 1.00 0.00 C ATOM 523 CD1 ILE A 35 -8.883 -5.320 -0.654 1.00 0.00 C ATOM 0 H ILE A 35 -9.321 -4.292 -2.883 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.195 -1.745 -2.243 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.923 -4.510 -2.100 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.689 -3.952 0.471 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.003 -3.201 -0.413 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.545 -3.521 -0.296 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.309 -2.683 -1.848 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.318 -1.944 -0.582 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.555 -5.511 0.182 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.450 -5.331 -1.585 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.116 -6.094 -0.687 1.00 0.00 H new ATOM 535 N SER A 36 -6.049 -1.558 -3.699 1.00 0.00 N ATOM 536 CA SER A 36 -5.069 -1.225 -4.731 1.00 0.00 C ATOM 537 C SER A 36 -3.828 -0.589 -4.098 1.00 0.00 C ATOM 538 O SER A 36 -3.888 -0.120 -2.961 1.00 0.00 O ATOM 539 CB SER A 36 -5.682 -0.262 -5.750 1.00 0.00 C ATOM 540 OG SER A 36 -6.561 -0.939 -6.633 1.00 0.00 O ATOM 0 H SER A 36 -5.939 -1.025 -2.837 1.00 0.00 H new ATOM 0 HA SER A 36 -4.776 -2.143 -5.241 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.223 0.527 -5.228 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.889 0.220 -6.321 1.00 0.00 H new ATOM 0 HG SER A 36 -6.782 -1.820 -6.264 1.00 0.00 H new ATOM 546 N TRP A 37 -2.709 -0.572 -4.835 1.00 0.00 N ATOM 547 CA TRP A 37 -1.455 0.011 -4.336 1.00 0.00 C ATOM 548 C TRP A 37 -0.765 0.842 -5.419 1.00 0.00 C ATOM 549 O TRP A 37 -0.504 0.348 -6.522 1.00 0.00 O ATOM 550 CB TRP A 37 -0.517 -1.090 -3.832 1.00 0.00 C ATOM 551 CG TRP A 37 -0.811 -1.511 -2.421 1.00 0.00 C ATOM 552 CD1 TRP A 37 -1.582 -2.570 -2.031 1.00 0.00 C ATOM 553 CD2 TRP A 37 -0.355 -0.882 -1.214 1.00 0.00 C ATOM 554 NE1 TRP A 37 -1.630 -2.641 -0.661 1.00 0.00 N ATOM 555 CE2 TRP A 37 -0.887 -1.616 -0.135 1.00 0.00 C ATOM 556 CE3 TRP A 37 0.454 0.230 -0.937 1.00 0.00 C ATOM 557 CZ2 TRP A 37 -0.637 -1.274 1.194 1.00 0.00 C ATOM 558 CZ3 TRP A 37 0.696 0.570 0.384 1.00 0.00 C ATOM 559 CH2 TRP A 37 0.156 -0.178 1.432 1.00 0.00 C ATOM 0 H TRP A 37 -2.646 -0.955 -5.778 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.699 0.673 -3.505 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.598 -1.957 -4.488 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.513 -0.738 -3.893 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -2.081 -3.252 -2.703 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.137 -3.343 -0.122 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.881 0.812 -1.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -1.052 -1.851 2.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.313 1.428 0.607 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.366 0.111 2.451 1.00 0.00 H new ATOM 570 N PHE A 38 -0.477 2.116 -5.099 1.00 0.00 N ATOM 571 CA PHE A 38 0.169 3.032 -6.048 1.00 0.00 C ATOM 572 C PHE A 38 1.561 3.449 -5.597 1.00 0.00 C ATOM 573 O PHE A 38 1.723 4.088 -4.557 1.00 0.00 O ATOM 574 CB PHE A 38 -0.711 4.261 -6.272 1.00 0.00 C ATOM 575 CG PHE A 38 -1.999 3.926 -6.961 1.00 0.00 C ATOM 576 CD1 PHE A 38 -3.103 3.530 -6.228 1.00 0.00 C ATOM 577 CD2 PHE A 38 -2.100 3.987 -8.340 1.00 0.00 C ATOM 578 CE1 PHE A 38 -4.289 3.202 -6.858 1.00 0.00 C ATOM 579 CE2 PHE A 38 -3.281 3.658 -8.977 1.00 0.00 C ATOM 580 CZ PHE A 38 -4.378 3.265 -8.234 1.00 0.00 C ATOM 0 H PHE A 38 -0.682 2.532 -4.191 1.00 0.00 H new ATOM 0 HA PHE A 38 0.288 2.495 -6.989 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.927 4.729 -5.312 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.164 4.992 -6.867 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.038 3.476 -5.151 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.246 4.295 -8.925 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.145 2.897 -6.274 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.347 3.708 -10.054 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.303 3.008 -8.729 1.00 0.00 H new ATOM 590 N SER A 39 2.566 3.082 -6.402 1.00 0.00 N ATOM 591 CA SER A 39 3.952 3.414 -6.109 1.00 0.00 C ATOM 592 C SER A 39 4.192 4.926 -6.231 1.00 0.00 C ATOM 593 O SER A 39 3.466 5.606 -6.987 1.00 0.00 O ATOM 594 CB SER A 39 4.908 2.650 -7.027 1.00 0.00 C ATOM 595 OG SER A 39 4.514 2.755 -8.383 1.00 0.00 O ATOM 0 H SER A 39 2.436 2.552 -7.264 1.00 0.00 H new ATOM 0 HA SER A 39 4.152 3.114 -5.080 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.919 3.040 -6.909 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.935 1.600 -6.734 1.00 0.00 H new ATOM 0 HG SER A 39 5.144 2.259 -8.946 1.00 0.00 H new ATOM 601 N PRO A 40 5.216 5.460 -5.472 1.00 0.00 N ATOM 602 CA PRO A 40 5.582 6.900 -5.431 1.00 0.00 C ATOM 603 C PRO A 40 5.782 7.580 -6.784 1.00 0.00 C ATOM 604 O PRO A 40 5.773 8.814 -6.848 1.00 0.00 O ATOM 605 CB PRO A 40 6.899 6.912 -4.649 1.00 0.00 C ATOM 606 CG PRO A 40 6.815 5.728 -3.763 1.00 0.00 C ATOM 607 CD PRO A 40 6.097 4.678 -4.559 1.00 0.00 C ATOM 0 HA PRO A 40 4.763 7.467 -4.988 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.758 6.848 -5.317 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.011 7.831 -4.074 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.808 5.387 -3.470 1.00 0.00 H new ATOM 0 HG3 PRO A 40 6.275 5.962 -2.846 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.795 4.052 -5.116 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.518 4.015 -3.916 1.00 0.00 H new ATOM 651 N LYS A 44 0.091 2.668 -10.157 1.00 0.00 N ATOM 652 CA LYS A 44 -0.069 1.344 -9.535 1.00 0.00 C ATOM 653 C LYS A 44 1.092 0.400 -9.843 1.00 0.00 C ATOM 654 O LYS A 44 1.667 0.445 -10.933 1.00 0.00 O ATOM 655 CB LYS A 44 -1.380 0.689 -9.973 1.00 0.00 C ATOM 656 CG LYS A 44 -1.887 -0.347 -8.981 1.00 0.00 C ATOM 657 CD LYS A 44 -3.043 -1.155 -9.554 1.00 0.00 C ATOM 658 CE LYS A 44 -3.917 -1.737 -8.455 1.00 0.00 C ATOM 659 NZ LYS A 44 -3.420 -3.063 -7.992 1.00 0.00 N ATOM 0 HA LYS A 44 -0.083 1.517 -8.459 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.139 1.460 -10.104 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.236 0.215 -10.944 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.073 -1.019 -8.708 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.209 0.151 -8.067 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.647 -0.519 -10.201 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.652 -1.961 -10.174 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.948 -1.047 -7.612 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.939 -1.840 -8.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.044 -3.425 -7.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.414 -3.730 -8.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.454 -2.961 -7.619 1.00 0.00 H new ATOM 673 N LEU A 45 1.419 -0.462 -8.872 1.00 0.00 N ATOM 674 CA LEU A 45 2.503 -1.438 -9.028 1.00 0.00 C ATOM 675 C LEU A 45 1.934 -2.851 -9.111 1.00 0.00 C ATOM 676 O LEU A 45 0.854 -3.123 -8.582 1.00 0.00 O ATOM 677 CB LEU A 45 3.508 -1.341 -7.869 1.00 0.00 C ATOM 678 CG LEU A 45 2.907 -1.128 -6.476 1.00 0.00 C ATOM 679 CD1 LEU A 45 2.056 -2.324 -6.064 1.00 0.00 C ATOM 680 CD2 LEU A 45 4.011 -0.872 -5.458 1.00 0.00 C ATOM 0 H LEU A 45 0.947 -0.503 -7.969 1.00 0.00 H new ATOM 0 HA LEU A 45 3.030 -1.211 -9.955 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.101 -2.255 -7.851 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.194 -0.520 -8.077 1.00 0.00 H new ATOM 0 HG LEU A 45 2.259 -0.252 -6.510 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.640 -2.150 -5.072 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.245 -2.457 -6.780 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.674 -3.221 -6.046 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.570 -0.722 -4.473 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.684 -1.729 -5.428 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.570 0.019 -5.744 1.00 0.00 H new ATOM 692 N SER A 46 2.664 -3.743 -9.786 1.00 0.00 N ATOM 693 CA SER A 46 2.230 -5.126 -9.947 1.00 0.00 C ATOM 694 C SER A 46 2.518 -5.942 -8.683 1.00 0.00 C ATOM 695 O SER A 46 3.366 -5.552 -7.878 1.00 0.00 O ATOM 696 CB SER A 46 2.918 -5.769 -11.151 1.00 0.00 C ATOM 697 OG SER A 46 3.076 -4.835 -12.206 1.00 0.00 O ATOM 0 H SER A 46 3.558 -3.528 -10.228 1.00 0.00 H new ATOM 0 HA SER A 46 1.153 -5.120 -10.117 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.893 -6.155 -10.854 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.331 -6.619 -11.498 1.00 0.00 H new ATOM 0 HG SER A 46 3.520 -5.270 -12.964 1.00 0.00 H new ATOM 703 N PRO A 47 1.823 -7.094 -8.487 1.00 0.00 N ATOM 704 CA PRO A 47 2.032 -7.945 -7.310 1.00 0.00 C ATOM 705 C PRO A 47 3.258 -8.867 -7.428 1.00 0.00 C ATOM 706 O PRO A 47 3.630 -9.524 -6.453 1.00 0.00 O ATOM 707 CB PRO A 47 0.740 -8.762 -7.255 1.00 0.00 C ATOM 708 CG PRO A 47 0.334 -8.915 -8.679 1.00 0.00 C ATOM 709 CD PRO A 47 0.792 -7.667 -9.389 1.00 0.00 C ATOM 0 HA PRO A 47 2.234 -7.357 -6.415 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.903 -9.731 -6.783 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.029 -8.250 -6.676 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.790 -9.802 -9.120 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.746 -9.036 -8.764 1.00 0.00 H new ATOM 0 HD2 PRO A 47 1.205 -7.896 -10.371 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -0.033 -6.971 -9.544 1.00 0.00 H new ATOM 717 N ASN A 48 3.881 -8.917 -8.617 1.00 0.00 N ATOM 718 CA ASN A 48 5.055 -9.760 -8.842 1.00 0.00 C ATOM 719 C ASN A 48 6.070 -9.049 -9.749 1.00 0.00 C ATOM 720 O ASN A 48 6.571 -9.627 -10.721 1.00 0.00 O ATOM 721 CB ASN A 48 4.622 -11.105 -9.445 1.00 0.00 C ATOM 722 CG ASN A 48 3.845 -10.944 -10.744 1.00 0.00 C ATOM 723 OD1 ASN A 48 4.089 -10.013 -11.512 1.00 0.00 O ATOM 724 ND2 ASN A 48 2.903 -11.850 -11.000 1.00 0.00 N ATOM 0 H ASN A 48 3.587 -8.382 -9.434 1.00 0.00 H new ATOM 0 HA ASN A 48 5.543 -9.949 -7.886 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.505 -11.717 -9.628 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.007 -11.641 -8.722 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.354 -11.787 -11.857 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.730 -12.607 -10.339 1.00 0.00 H new ATOM 731 N GLN A 49 6.374 -7.786 -9.419 1.00 0.00 N ATOM 732 CA GLN A 49 7.331 -6.994 -10.199 1.00 0.00 C ATOM 733 C GLN A 49 8.744 -7.583 -10.082 1.00 0.00 C ATOM 734 O GLN A 49 9.209 -8.266 -10.996 1.00 0.00 O ATOM 735 CB GLN A 49 7.316 -5.525 -9.749 1.00 0.00 C ATOM 736 CG GLN A 49 6.011 -4.807 -10.047 1.00 0.00 C ATOM 737 CD GLN A 49 6.042 -3.346 -9.634 1.00 0.00 C ATOM 738 OE1 GLN A 49 5.720 -2.462 -10.427 1.00 0.00 O ATOM 739 NE2 GLN A 49 6.431 -3.080 -8.385 1.00 0.00 N ATOM 0 H GLN A 49 5.972 -7.294 -8.621 1.00 0.00 H new ATOM 0 HA GLN A 49 7.031 -7.032 -11.246 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.508 -5.481 -8.677 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.132 -4.995 -10.241 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.798 -4.875 -11.114 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.196 -5.311 -9.527 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.690 -3.842 -7.758 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.469 -2.115 -8.057 1.00 0.00 H new ATOM 748 N GLN A 50 9.410 -7.332 -8.948 1.00 0.00 N ATOM 749 CA GLN A 50 10.756 -7.849 -8.703 1.00 0.00 C ATOM 750 C GLN A 50 10.966 -8.052 -7.202 1.00 0.00 C ATOM 751 O GLN A 50 10.961 -9.181 -6.709 1.00 0.00 O ATOM 752 CB GLN A 50 11.870 -6.931 -9.294 1.00 0.00 C ATOM 753 CG GLN A 50 11.450 -6.031 -10.457 1.00 0.00 C ATOM 754 CD GLN A 50 11.445 -6.752 -11.794 1.00 0.00 C ATOM 755 OE1 GLN A 50 12.177 -7.722 -11.990 1.00 0.00 O ATOM 756 NE2 GLN A 50 10.618 -6.280 -12.728 1.00 0.00 N ATOM 0 H GLN A 50 9.034 -6.771 -8.184 1.00 0.00 H new ATOM 0 HA GLN A 50 10.837 -8.806 -9.218 1.00 0.00 H new ATOM 0 HB2 GLN A 50 12.256 -6.300 -8.493 1.00 0.00 H new ATOM 0 HB3 GLN A 50 12.694 -7.562 -9.628 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.454 -5.634 -10.261 1.00 0.00 H new ATOM 0 HG3 GLN A 50 12.127 -5.179 -10.513 1.00 0.00 H new ATOM 0 HE21 GLN A 50 10.027 -5.473 -12.526 1.00 0.00 H new ATOM 0 HE22 GLN A 50 10.576 -6.726 -13.645 1.00 0.00 H new ATOM 765 N ARG A 51 11.147 -6.943 -6.489 1.00 0.00 N ATOM 766 CA ARG A 51 11.361 -6.957 -5.045 1.00 0.00 C ATOM 767 C ARG A 51 10.077 -6.626 -4.281 1.00 0.00 C ATOM 768 O ARG A 51 9.848 -7.151 -3.190 1.00 0.00 O ATOM 769 CB ARG A 51 12.462 -5.963 -4.685 1.00 0.00 C ATOM 770 CG ARG A 51 13.835 -6.382 -5.202 1.00 0.00 C ATOM 771 CD ARG A 51 14.686 -5.187 -5.609 1.00 0.00 C ATOM 772 NE ARG A 51 16.019 -5.589 -6.071 1.00 0.00 N ATOM 773 CZ ARG A 51 16.821 -4.843 -6.844 1.00 0.00 C ATOM 774 NH1 ARG A 51 16.452 -3.633 -7.267 1.00 0.00 N ATOM 775 NH2 ARG A 51 18.007 -5.316 -7.199 1.00 0.00 N ATOM 0 H ARG A 51 11.149 -6.008 -6.897 1.00 0.00 H new ATOM 0 HA ARG A 51 11.664 -7.963 -4.754 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.209 -4.985 -5.094 1.00 0.00 H new ATOM 0 HB3 ARG A 51 12.506 -5.854 -3.601 1.00 0.00 H new ATOM 0 HG2 ARG A 51 14.354 -6.949 -4.430 1.00 0.00 H new ATOM 0 HG3 ARG A 51 13.712 -7.046 -6.057 1.00 0.00 H new ATOM 0 HD2 ARG A 51 14.180 -4.635 -6.401 1.00 0.00 H new ATOM 0 HD3 ARG A 51 14.786 -4.509 -4.762 1.00 0.00 H new ATOM 0 HE ARG A 51 16.362 -6.505 -5.782 1.00 0.00 H new ATOM 0 HH11 ARG A 51 15.542 -3.256 -7.003 1.00 0.00 H new ATOM 0 HH12 ARG A 51 17.080 -3.085 -7.854 1.00 0.00 H new ATOM 0 HH21 ARG A 51 18.303 -6.240 -6.884 1.00 0.00 H new ATOM 0 HH22 ARG A 51 18.624 -4.756 -7.787 1.00 0.00 H new ATOM 789 N ILE A 52 9.253 -5.740 -4.852 1.00 0.00 N ATOM 790 CA ILE A 52 8.000 -5.328 -4.213 1.00 0.00 C ATOM 791 C ILE A 52 6.866 -6.317 -4.525 1.00 0.00 C ATOM 792 O ILE A 52 6.351 -6.355 -5.643 1.00 0.00 O ATOM 793 CB ILE A 52 7.591 -3.887 -4.637 1.00 0.00 C ATOM 794 CG1 ILE A 52 8.759 -2.914 -4.396 1.00 0.00 C ATOM 795 CG2 ILE A 52 6.348 -3.421 -3.878 1.00 0.00 C ATOM 796 CD1 ILE A 52 8.502 -1.493 -4.867 1.00 0.00 C ATOM 0 H ILE A 52 9.431 -5.296 -5.753 1.00 0.00 H new ATOM 0 HA ILE A 52 8.172 -5.329 -3.137 1.00 0.00 H new ATOM 0 HB ILE A 52 7.351 -3.900 -5.700 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.985 -2.895 -3.330 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.645 -3.297 -4.903 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.086 -2.411 -4.194 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.518 -4.095 -4.090 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.553 -3.424 -2.807 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.376 -0.877 -4.658 1.00 0.00 H new ATOM 0 HD12 ILE A 52 8.307 -1.495 -5.939 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.638 -1.086 -4.342 1.00 0.00 H new ATOM 808 N SER A 53 6.485 -7.109 -3.512 1.00 0.00 N ATOM 809 CA SER A 53 5.414 -8.098 -3.642 1.00 0.00 C ATOM 810 C SER A 53 4.188 -7.676 -2.824 1.00 0.00 C ATOM 811 O SER A 53 4.294 -7.434 -1.620 1.00 0.00 O ATOM 812 CB SER A 53 5.911 -9.465 -3.165 1.00 0.00 C ATOM 813 OG SER A 53 4.941 -10.471 -3.398 1.00 0.00 O ATOM 0 H SER A 53 6.910 -7.080 -2.585 1.00 0.00 H new ATOM 0 HA SER A 53 5.126 -8.163 -4.691 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.835 -9.720 -3.683 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.144 -9.420 -2.101 1.00 0.00 H new ATOM 0 HG SER A 53 5.284 -11.334 -3.086 1.00 0.00 H new ATOM 819 N VAL A 54 3.031 -7.582 -3.488 1.00 0.00 N ATOM 820 CA VAL A 54 1.776 -7.177 -2.834 1.00 0.00 C ATOM 821 C VAL A 54 0.929 -8.405 -2.476 1.00 0.00 C ATOM 822 O VAL A 54 1.103 -9.473 -3.068 1.00 0.00 O ATOM 823 CB VAL A 54 0.935 -6.242 -3.749 1.00 0.00 C ATOM 824 CG1 VAL A 54 -0.220 -5.610 -2.978 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.805 -5.158 -4.387 1.00 0.00 C ATOM 0 H VAL A 54 2.935 -7.782 -4.484 1.00 0.00 H new ATOM 0 HA VAL A 54 2.049 -6.638 -1.926 1.00 0.00 H new ATOM 0 HB VAL A 54 0.519 -6.857 -4.547 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.790 -4.962 -3.643 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.871 -6.394 -2.590 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.174 -5.022 -2.149 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.187 -4.521 -5.020 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.266 -4.554 -3.605 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.583 -5.625 -4.991 1.00 0.00 H new ATOM 835 N VAL A 55 -0.003 -8.241 -1.523 1.00 0.00 N ATOM 836 CA VAL A 55 -0.889 -9.337 -1.115 1.00 0.00 C ATOM 837 C VAL A 55 -2.249 -8.813 -0.638 1.00 0.00 C ATOM 838 O VAL A 55 -2.422 -7.617 -0.420 1.00 0.00 O ATOM 839 CB VAL A 55 -0.266 -10.254 -0.009 1.00 0.00 C ATOM 840 CG1 VAL A 55 1.147 -10.672 -0.391 1.00 0.00 C ATOM 841 CG2 VAL A 55 -0.282 -9.602 1.386 1.00 0.00 C ATOM 0 H VAL A 55 -0.160 -7.365 -1.025 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.028 -9.945 -2.009 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.895 -11.142 0.053 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.562 -11.309 0.391 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.122 -11.222 -1.332 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.770 -9.785 -0.506 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.162 -10.284 2.111 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.291 -8.675 1.361 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.311 -9.385 1.674 1.00 0.00 H new ATOM 851 N TRP A 56 -3.182 -9.742 -0.440 1.00 0.00 N ATOM 852 CA TRP A 56 -4.522 -9.435 0.052 1.00 0.00 C ATOM 853 C TRP A 56 -4.912 -10.523 1.046 1.00 0.00 C ATOM 854 O TRP A 56 -5.170 -11.664 0.658 1.00 0.00 O ATOM 855 CB TRP A 56 -5.508 -9.345 -1.109 1.00 0.00 C ATOM 856 CG TRP A 56 -5.173 -8.222 -2.040 1.00 0.00 C ATOM 857 CD1 TRP A 56 -5.718 -6.970 -2.046 1.00 0.00 C ATOM 858 CD2 TRP A 56 -4.191 -8.237 -3.082 1.00 0.00 C ATOM 859 NE1 TRP A 56 -5.147 -6.212 -3.036 1.00 0.00 N ATOM 860 CE2 TRP A 56 -4.207 -6.966 -3.687 1.00 0.00 C ATOM 861 CE3 TRP A 56 -3.303 -9.203 -3.566 1.00 0.00 C ATOM 862 CZ2 TRP A 56 -3.368 -6.636 -4.748 1.00 0.00 C ATOM 863 CZ3 TRP A 56 -2.470 -8.873 -4.619 1.00 0.00 C ATOM 864 CH2 TRP A 56 -2.509 -7.599 -5.200 1.00 0.00 C ATOM 0 H TRP A 56 -3.028 -10.735 -0.618 1.00 0.00 H new ATOM 0 HA TRP A 56 -4.540 -8.466 0.551 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -5.507 -10.286 -1.660 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -6.516 -9.205 -0.719 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -6.487 -6.627 -1.370 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.384 -5.244 -3.252 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -3.269 -10.188 -3.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -3.395 -5.655 -5.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -1.778 -9.610 -5.000 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -1.847 -7.373 -6.022 1.00 0.00 H new ATOM 875 N ASN A 57 -4.865 -10.178 2.334 1.00 0.00 N ATOM 876 CA ASN A 57 -5.122 -11.142 3.405 1.00 0.00 C ATOM 877 C ASN A 57 -6.597 -11.218 3.841 1.00 0.00 C ATOM 878 O ASN A 57 -7.330 -12.088 3.362 1.00 0.00 O ATOM 879 CB ASN A 57 -4.197 -10.819 4.585 1.00 0.00 C ATOM 880 CG ASN A 57 -2.743 -11.114 4.280 1.00 0.00 C ATOM 881 OD1 ASN A 57 -2.350 -12.270 4.126 1.00 0.00 O ATOM 882 ND2 ASN A 57 -1.932 -10.059 4.189 1.00 0.00 N ATOM 0 H ASN A 57 -4.651 -9.236 2.661 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.905 -12.137 3.016 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.303 -9.767 4.848 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.507 -11.398 5.455 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.942 -10.193 3.984 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.302 -9.118 4.324 1.00 0.00 H new ATOM 889 N ASP A 58 -7.027 -10.341 4.764 1.00 0.00 N ATOM 890 CA ASP A 58 -8.407 -10.360 5.271 1.00 0.00 C ATOM 891 C ASP A 58 -9.427 -10.077 4.159 1.00 0.00 C ATOM 892 O ASP A 58 -9.065 -9.971 2.987 1.00 0.00 O ATOM 893 CB ASP A 58 -8.567 -9.354 6.427 1.00 0.00 C ATOM 894 CG ASP A 58 -9.413 -9.896 7.566 1.00 0.00 C ATOM 895 OD1 ASP A 58 -9.033 -10.933 8.147 1.00 0.00 O ATOM 896 OD2 ASP A 58 -10.456 -9.281 7.875 1.00 0.00 O ATOM 0 H ASP A 58 -6.440 -9.613 5.172 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.608 -11.363 5.647 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.582 -9.086 6.808 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.021 -8.439 6.046 1.00 0.00 H new ATOM 901 N ASP A 59 -10.708 -9.961 4.544 1.00 0.00 N ATOM 902 CA ASP A 59 -11.803 -9.697 3.596 1.00 0.00 C ATOM 903 C ASP A 59 -11.531 -8.455 2.743 1.00 0.00 C ATOM 904 O ASP A 59 -11.884 -8.416 1.562 1.00 0.00 O ATOM 905 CB ASP A 59 -13.123 -9.517 4.352 1.00 0.00 C ATOM 906 CG ASP A 59 -14.331 -9.557 3.437 1.00 0.00 C ATOM 907 OD1 ASP A 59 -14.866 -10.662 3.211 1.00 0.00 O ATOM 908 OD2 ASP A 59 -14.743 -8.482 2.951 1.00 0.00 O ATOM 0 H ASP A 59 -11.013 -10.047 5.514 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.872 -10.557 2.930 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -13.216 -10.300 5.104 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.106 -8.565 4.883 1.00 0.00 H new ATOM 913 N ASP A 60 -10.901 -7.445 3.353 1.00 0.00 N ATOM 914 CA ASP A 60 -10.581 -6.201 2.653 1.00 0.00 C ATOM 915 C ASP A 60 -9.250 -5.587 3.116 1.00 0.00 C ATOM 916 O ASP A 60 -8.993 -4.410 2.855 1.00 0.00 O ATOM 917 CB ASP A 60 -11.716 -5.200 2.851 1.00 0.00 C ATOM 918 CG ASP A 60 -12.936 -5.542 2.019 1.00 0.00 C ATOM 919 OD1 ASP A 60 -12.763 -6.008 0.872 1.00 0.00 O ATOM 920 OD2 ASP A 60 -14.066 -5.341 2.511 1.00 0.00 O ATOM 0 H ASP A 60 -10.604 -7.467 4.329 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.469 -6.439 1.595 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.994 -5.173 3.905 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.367 -4.202 2.587 1.00 0.00 H new ATOM 925 N SER A 61 -8.396 -6.385 3.778 1.00 0.00 N ATOM 926 CA SER A 61 -7.090 -5.911 4.243 1.00 0.00 C ATOM 927 C SER A 61 -6.001 -6.432 3.316 1.00 0.00 C ATOM 928 O SER A 61 -6.060 -7.583 2.869 1.00 0.00 O ATOM 929 CB SER A 61 -6.833 -6.360 5.681 1.00 0.00 C ATOM 930 OG SER A 61 -5.493 -6.109 6.069 1.00 0.00 O ATOM 0 H SER A 61 -8.590 -7.361 4.001 1.00 0.00 H new ATOM 0 HA SER A 61 -7.081 -4.821 4.226 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.512 -5.837 6.354 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.048 -7.425 5.775 1.00 0.00 H new ATOM 0 HG SER A 61 -5.359 -6.405 6.994 1.00 0.00 H new ATOM 936 N SER A 62 -5.020 -5.578 3.005 1.00 0.00 N ATOM 937 CA SER A 62 -3.935 -5.955 2.101 1.00 0.00 C ATOM 938 C SER A 62 -2.585 -5.553 2.673 1.00 0.00 C ATOM 939 O SER A 62 -2.510 -5.103 3.816 1.00 0.00 O ATOM 940 CB SER A 62 -4.183 -5.300 0.741 1.00 0.00 C ATOM 941 OG SER A 62 -5.536 -5.466 0.344 1.00 0.00 O ATOM 0 H SER A 62 -4.957 -4.626 3.366 1.00 0.00 H new ATOM 0 HA SER A 62 -3.916 -7.038 1.981 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.942 -4.238 0.794 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.523 -5.740 -0.006 1.00 0.00 H new ATOM 0 HG SER A 62 -5.583 -5.550 -0.631 1.00 0.00 H new ATOM 947 N THR A 63 -1.519 -5.726 1.883 1.00 0.00 N ATOM 948 CA THR A 63 -0.174 -5.380 2.336 1.00 0.00 C ATOM 949 C THR A 63 0.762 -5.088 1.165 1.00 0.00 C ATOM 950 O THR A 63 0.653 -5.698 0.101 1.00 0.00 O ATOM 951 CB THR A 63 0.411 -6.504 3.195 1.00 0.00 C ATOM 952 OG1 THR A 63 -0.598 -7.116 3.975 1.00 0.00 O ATOM 953 CG2 THR A 63 1.503 -6.037 4.139 1.00 0.00 C ATOM 0 H THR A 63 -1.564 -6.101 0.935 1.00 0.00 H new ATOM 0 HA THR A 63 -0.260 -4.474 2.935 1.00 0.00 H new ATOM 0 HB THR A 63 0.846 -7.209 2.486 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.204 -7.832 4.515 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.872 -6.885 4.716 1.00 0.00 H new ATOM 0 HG22 THR A 63 2.322 -5.606 3.563 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.101 -5.284 4.817 1.00 0.00 H new ATOM 961 N LEU A 64 1.692 -4.159 1.388 1.00 0.00 N ATOM 962 CA LEU A 64 2.677 -3.767 0.389 1.00 0.00 C ATOM 963 C LEU A 64 4.070 -4.131 0.881 1.00 0.00 C ATOM 964 O LEU A 64 4.710 -3.336 1.576 1.00 0.00 O ATOM 965 CB LEU A 64 2.598 -2.247 0.143 1.00 0.00 C ATOM 966 CG LEU A 64 3.229 -1.670 -1.159 1.00 0.00 C ATOM 967 CD1 LEU A 64 4.214 -0.546 -0.838 1.00 0.00 C ATOM 968 CD2 LEU A 64 3.907 -2.734 -2.027 1.00 0.00 C ATOM 0 H LEU A 64 1.781 -3.657 2.272 1.00 0.00 H new ATOM 0 HA LEU A 64 2.470 -4.291 -0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.546 -1.964 0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.071 -1.749 0.989 1.00 0.00 H new ATOM 0 HG LEU A 64 2.400 -1.269 -1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.640 -0.160 -1.764 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.693 0.257 -0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.012 -0.932 -0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.325 -2.265 -2.917 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.706 -3.212 -1.459 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.173 -3.484 -2.323 1.00 0.00 H new ATOM 980 N THR A 65 4.531 -5.334 0.529 1.00 0.00 N ATOM 981 CA THR A 65 5.852 -5.801 0.948 1.00 0.00 C ATOM 982 C THR A 65 6.909 -5.318 -0.040 1.00 0.00 C ATOM 983 O THR A 65 6.686 -5.329 -1.248 1.00 0.00 O ATOM 984 CB THR A 65 5.892 -7.345 1.095 1.00 0.00 C ATOM 985 OG1 THR A 65 4.597 -7.911 0.963 1.00 0.00 O ATOM 986 CG2 THR A 65 6.446 -7.805 2.430 1.00 0.00 C ATOM 0 H THR A 65 4.010 -5.999 -0.043 1.00 0.00 H new ATOM 0 HA THR A 65 6.068 -5.381 1.930 1.00 0.00 H new ATOM 0 HB THR A 65 6.553 -7.683 0.297 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.400 -8.060 0.015 1.00 0.00 H new ATOM 0 HG21 THR A 65 6.447 -8.894 2.468 1.00 0.00 H new ATOM 0 HG22 THR A 65 7.465 -7.437 2.547 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.825 -7.414 3.236 1.00 0.00 H new ATOM 994 N ILE A 66 8.054 -4.888 0.488 1.00 0.00 N ATOM 995 CA ILE A 66 9.155 -4.389 -0.331 1.00 0.00 C ATOM 996 C ILE A 66 10.463 -4.978 0.174 1.00 0.00 C ATOM 997 O ILE A 66 11.048 -4.459 1.120 1.00 0.00 O ATOM 998 CB ILE A 66 9.215 -2.835 -0.302 1.00 0.00 C ATOM 999 CG1 ILE A 66 7.855 -2.263 -0.732 1.00 0.00 C ATOM 1000 CG2 ILE A 66 10.353 -2.285 -1.184 1.00 0.00 C ATOM 1001 CD1 ILE A 66 7.741 -0.765 -0.566 1.00 0.00 C ATOM 0 H ILE A 66 8.243 -4.876 1.490 1.00 0.00 H new ATOM 0 HA ILE A 66 8.991 -4.695 -1.364 1.00 0.00 H new ATOM 0 HB ILE A 66 9.432 -2.519 0.718 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.679 -2.517 -1.777 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.069 -2.744 -0.150 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.358 -1.196 -1.134 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.308 -2.669 -0.827 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.198 -2.600 -2.216 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.753 -0.437 -0.890 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.884 -0.503 0.482 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.503 -0.273 -1.170 1.00 0.00 H new ATOM 1013 N TYR A 67 10.896 -6.076 -0.456 1.00 0.00 N ATOM 1014 CA TYR A 67 12.131 -6.768 -0.065 1.00 0.00 C ATOM 1015 C TYR A 67 13.366 -5.838 -0.237 1.00 0.00 C ATOM 1016 O TYR A 67 13.445 -4.822 0.450 1.00 0.00 O ATOM 1017 CB TYR A 67 12.246 -8.107 -0.838 1.00 0.00 C ATOM 1018 CG TYR A 67 10.974 -8.947 -0.854 1.00 0.00 C ATOM 1019 CD1 TYR A 67 10.175 -9.078 0.280 1.00 0.00 C ATOM 1020 CD2 TYR A 67 10.577 -9.605 -2.013 1.00 0.00 C ATOM 1021 CE1 TYR A 67 9.020 -9.840 0.255 1.00 0.00 C ATOM 1022 CE2 TYR A 67 9.424 -10.368 -2.042 1.00 0.00 C ATOM 1023 CZ TYR A 67 8.651 -10.482 -0.907 1.00 0.00 C ATOM 1024 OH TYR A 67 7.502 -11.240 -0.935 1.00 0.00 O ATOM 0 H TYR A 67 10.408 -6.506 -1.242 1.00 0.00 H new ATOM 0 HA TYR A 67 12.098 -7.017 0.996 1.00 0.00 H new ATOM 0 HB2 TYR A 67 12.536 -7.893 -1.867 1.00 0.00 H new ATOM 0 HB3 TYR A 67 13.049 -8.697 -0.397 1.00 0.00 H new ATOM 0 HD1 TYR A 67 10.462 -8.577 1.193 1.00 0.00 H new ATOM 0 HD2 TYR A 67 11.179 -9.519 -2.905 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.411 -9.931 1.142 1.00 0.00 H new ATOM 0 HE2 TYR A 67 9.131 -10.873 -2.951 1.00 0.00 H new ATOM 0 HH TYR A 67 7.385 -11.624 -1.829 1.00 0.00 H new ATOM 1034 N ASN A 68 14.329 -6.157 -1.132 1.00 0.00 N ATOM 1035 CA ASN A 68 15.524 -5.310 -1.339 1.00 0.00 C ATOM 1036 C ASN A 68 15.135 -3.840 -1.590 1.00 0.00 C ATOM 1037 O ASN A 68 14.815 -3.458 -2.718 1.00 0.00 O ATOM 1038 CB ASN A 68 16.364 -5.847 -2.513 1.00 0.00 C ATOM 1039 CG ASN A 68 17.860 -5.759 -2.256 1.00 0.00 C ATOM 1040 OD1 ASN A 68 18.553 -6.775 -2.216 1.00 0.00 O ATOM 1041 ND2 ASN A 68 18.371 -4.541 -2.084 1.00 0.00 N ATOM 0 H ASN A 68 14.302 -6.991 -1.719 1.00 0.00 H new ATOM 0 HA ASN A 68 16.121 -5.348 -0.428 1.00 0.00 H new ATOM 0 HB2 ASN A 68 16.093 -6.886 -2.702 1.00 0.00 H new ATOM 0 HB3 ASN A 68 16.121 -5.285 -3.415 1.00 0.00 H new ATOM 0 HD21 ASN A 68 19.370 -4.427 -1.912 1.00 0.00 H new ATOM 0 HD22 ASN A 68 17.763 -3.723 -2.124 1.00 0.00 H new ATOM 1048 N ALA A 69 15.144 -3.037 -0.520 1.00 0.00 N ATOM 1049 CA ALA A 69 14.770 -1.624 -0.607 1.00 0.00 C ATOM 1050 C ALA A 69 15.861 -0.783 -1.268 1.00 0.00 C ATOM 1051 O ALA A 69 17.051 -1.012 -1.046 1.00 0.00 O ATOM 1052 CB ALA A 69 14.442 -1.078 0.780 1.00 0.00 C ATOM 0 H ALA A 69 15.407 -3.344 0.417 1.00 0.00 H new ATOM 0 HA ALA A 69 13.883 -1.557 -1.237 1.00 0.00 H new ATOM 0 HB1 ALA A 69 14.166 -0.027 0.701 1.00 0.00 H new ATOM 0 HB2 ALA A 69 13.611 -1.641 1.205 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.315 -1.176 1.425 1.00 0.00 H new ATOM 1058 N ASN A 70 15.439 0.202 -2.072 1.00 0.00 N ATOM 1059 CA ASN A 70 16.360 1.100 -2.765 1.00 0.00 C ATOM 1060 C ASN A 70 15.865 2.546 -2.686 1.00 0.00 C ATOM 1061 O ASN A 70 14.657 2.804 -2.581 1.00 0.00 O ATOM 1062 CB ASN A 70 16.512 0.683 -4.231 1.00 0.00 C ATOM 1063 CG ASN A 70 16.960 -0.761 -4.385 1.00 0.00 C ATOM 1064 OD1 ASN A 70 18.150 -1.037 -4.534 1.00 0.00 O ATOM 1065 ND2 ASN A 70 16.008 -1.692 -4.351 1.00 0.00 N ATOM 0 H ASN A 70 14.455 0.395 -2.257 1.00 0.00 H new ATOM 0 HA ASN A 70 17.331 1.034 -2.275 1.00 0.00 H new ATOM 0 HB2 ASN A 70 15.560 0.821 -4.745 1.00 0.00 H new ATOM 0 HB3 ASN A 70 17.235 1.338 -4.718 1.00 0.00 H new ATOM 0 HD21 ASN A 70 16.254 -2.677 -4.450 1.00 0.00 H new ATOM 0 HD22 ASN A 70 15.033 -1.420 -4.226 1.00 0.00 H new ATOM 1072 N ILE A 71 16.799 3.502 -2.740 1.00 0.00 N ATOM 1073 CA ILE A 71 16.449 4.929 -2.675 1.00 0.00 C ATOM 1074 C ILE A 71 15.357 5.315 -3.691 1.00 0.00 C ATOM 1075 O ILE A 71 14.611 6.271 -3.467 1.00 0.00 O ATOM 1076 CB ILE A 71 17.681 5.832 -2.888 1.00 0.00 C ATOM 1077 CG1 ILE A 71 18.399 5.470 -4.192 1.00 0.00 C ATOM 1078 CG2 ILE A 71 18.628 5.715 -1.702 1.00 0.00 C ATOM 1079 CD1 ILE A 71 19.491 6.448 -4.572 1.00 0.00 C ATOM 0 H ILE A 71 17.798 3.317 -2.828 1.00 0.00 H new ATOM 0 HA ILE A 71 16.058 5.089 -1.670 1.00 0.00 H new ATOM 0 HB ILE A 71 17.345 6.866 -2.964 1.00 0.00 H new ATOM 0 HG12 ILE A 71 18.832 4.474 -4.095 1.00 0.00 H new ATOM 0 HG13 ILE A 71 17.668 5.422 -4.999 1.00 0.00 H new ATOM 0 HG21 ILE A 71 19.494 6.357 -1.863 1.00 0.00 H new ATOM 0 HG22 ILE A 71 18.112 6.023 -0.793 1.00 0.00 H new ATOM 0 HG23 ILE A 71 18.957 4.681 -1.600 1.00 0.00 H new ATOM 0 HD11 ILE A 71 19.956 6.130 -5.505 1.00 0.00 H new ATOM 0 HD12 ILE A 71 19.061 7.441 -4.702 1.00 0.00 H new ATOM 0 HD13 ILE A 71 20.243 6.478 -3.783 1.00 0.00 H new ATOM 1091 N ASP A 72 15.259 4.555 -4.793 1.00 0.00 N ATOM 1092 CA ASP A 72 14.248 4.811 -5.819 1.00 0.00 C ATOM 1093 C ASP A 72 12.851 4.487 -5.283 1.00 0.00 C ATOM 1094 O ASP A 72 11.911 5.257 -5.485 1.00 0.00 O ATOM 1095 CB ASP A 72 14.532 3.985 -7.078 1.00 0.00 C ATOM 1096 CG ASP A 72 15.854 4.353 -7.724 1.00 0.00 C ATOM 1097 OD1 ASP A 72 16.021 5.531 -8.106 1.00 0.00 O ATOM 1098 OD2 ASP A 72 16.723 3.465 -7.847 1.00 0.00 O ATOM 0 H ASP A 72 15.868 3.761 -4.992 1.00 0.00 H new ATOM 0 HA ASP A 72 14.289 5.868 -6.081 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.539 2.926 -6.821 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.726 4.133 -7.796 1.00 0.00 H new ATOM 1103 N ASP A 73 12.727 3.348 -4.580 1.00 0.00 N ATOM 1104 CA ASP A 73 11.455 2.929 -3.995 1.00 0.00 C ATOM 1105 C ASP A 73 11.008 3.905 -2.907 1.00 0.00 C ATOM 1106 O ASP A 73 9.809 4.130 -2.727 1.00 0.00 O ATOM 1107 CB ASP A 73 11.571 1.516 -3.412 1.00 0.00 C ATOM 1108 CG ASP A 73 11.599 0.443 -4.484 1.00 0.00 C ATOM 1109 OD1 ASP A 73 10.907 0.611 -5.511 1.00 0.00 O ATOM 1110 OD2 ASP A 73 12.313 -0.564 -4.297 1.00 0.00 O ATOM 0 H ASP A 73 13.499 2.704 -4.406 1.00 0.00 H new ATOM 0 HA ASP A 73 10.706 2.925 -4.787 1.00 0.00 H new ATOM 0 HB2 ASP A 73 12.478 1.448 -2.811 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.731 1.333 -2.742 1.00 0.00 H new ATOM 1115 N ALA A 74 11.979 4.489 -2.179 1.00 0.00 N ATOM 1116 CA ALA A 74 11.676 5.452 -1.102 1.00 0.00 C ATOM 1117 C ALA A 74 10.721 6.565 -1.550 1.00 0.00 C ATOM 1118 O ALA A 74 11.126 7.494 -2.255 1.00 0.00 O ATOM 1119 CB ALA A 74 12.958 6.070 -0.563 1.00 0.00 C ATOM 0 H ALA A 74 12.974 4.312 -2.316 1.00 0.00 H new ATOM 0 HA ALA A 74 11.175 4.887 -0.316 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.715 6.777 0.230 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.601 5.285 -0.165 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.477 6.591 -1.368 1.00 0.00 H new ATOM 1125 N GLY A 75 9.460 6.461 -1.126 1.00 0.00 N ATOM 1126 CA GLY A 75 8.461 7.455 -1.475 1.00 0.00 C ATOM 1127 C GLY A 75 7.140 7.203 -0.777 1.00 0.00 C ATOM 1128 O GLY A 75 6.983 6.181 -0.101 1.00 0.00 O ATOM 0 H GLY A 75 9.114 5.699 -0.543 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.828 8.446 -1.209 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.307 7.451 -2.554 1.00 0.00 H new ATOM 1132 N ILE A 76 6.191 8.128 -0.939 1.00 0.00 N ATOM 1133 CA ILE A 76 4.879 7.990 -0.318 1.00 0.00 C ATOM 1134 C ILE A 76 3.991 7.065 -1.151 1.00 0.00 C ATOM 1135 O ILE A 76 3.384 7.496 -2.134 1.00 0.00 O ATOM 1136 CB ILE A 76 4.194 9.372 -0.114 1.00 0.00 C ATOM 1137 CG1 ILE A 76 5.096 10.261 0.760 1.00 0.00 C ATOM 1138 CG2 ILE A 76 2.800 9.217 0.518 1.00 0.00 C ATOM 1139 CD1 ILE A 76 4.560 11.656 1.021 1.00 0.00 C ATOM 0 H ILE A 76 6.309 8.976 -1.493 1.00 0.00 H new ATOM 0 HA ILE A 76 5.021 7.546 0.667 1.00 0.00 H new ATOM 0 HB ILE A 76 4.056 9.844 -1.087 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.254 9.764 1.717 1.00 0.00 H new ATOM 0 HG13 ILE A 76 6.071 10.346 0.281 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.348 10.200 0.647 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.170 8.611 -0.134 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.893 8.730 1.489 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.265 12.206 1.645 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.430 12.179 0.074 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.600 11.587 1.532 1.00 0.00 H new ATOM 1151 N TYR A 77 3.906 5.796 -0.733 1.00 0.00 N ATOM 1152 CA TYR A 77 3.070 4.817 -1.427 1.00 0.00 C ATOM 1153 C TYR A 77 1.597 5.128 -1.164 1.00 0.00 C ATOM 1154 O TYR A 77 1.284 6.001 -0.348 1.00 0.00 O ATOM 1155 CB TYR A 77 3.398 3.393 -0.961 1.00 0.00 C ATOM 1156 CG TYR A 77 4.730 2.871 -1.450 1.00 0.00 C ATOM 1157 CD1 TYR A 77 5.901 3.266 -0.830 1.00 0.00 C ATOM 1158 CD2 TYR A 77 4.817 1.968 -2.505 1.00 0.00 C ATOM 1159 CE1 TYR A 77 7.131 2.785 -1.243 1.00 0.00 C ATOM 1160 CE2 TYR A 77 6.043 1.477 -2.925 1.00 0.00 C ATOM 1161 CZ TYR A 77 7.195 1.889 -2.288 1.00 0.00 C ATOM 1162 OH TYR A 77 8.415 1.404 -2.700 1.00 0.00 O ATOM 0 H TYR A 77 4.404 5.428 0.078 1.00 0.00 H new ATOM 0 HA TYR A 77 3.271 4.879 -2.497 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.389 3.368 0.129 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.610 2.721 -1.301 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.855 3.964 -0.007 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.915 1.645 -3.004 1.00 0.00 H new ATOM 0 HE1 TYR A 77 8.035 3.110 -0.749 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.096 0.777 -3.745 1.00 0.00 H new ATOM 0 HH TYR A 77 8.494 1.500 -3.672 1.00 0.00 H new ATOM 1172 N LYS A 78 0.696 4.421 -1.851 1.00 0.00 N ATOM 1173 CA LYS A 78 -0.745 4.638 -1.685 1.00 0.00 C ATOM 1174 C LYS A 78 -1.487 3.313 -1.544 1.00 0.00 C ATOM 1175 O LYS A 78 -1.038 2.287 -2.043 1.00 0.00 O ATOM 1176 CB LYS A 78 -1.308 5.426 -2.879 1.00 0.00 C ATOM 1177 CG LYS A 78 -2.197 6.597 -2.488 1.00 0.00 C ATOM 1178 CD LYS A 78 -2.639 7.397 -3.704 1.00 0.00 C ATOM 1179 CE LYS A 78 -1.466 8.085 -4.388 1.00 0.00 C ATOM 1180 NZ LYS A 78 -1.916 9.173 -5.301 1.00 0.00 N ATOM 0 H LYS A 78 0.937 3.695 -2.526 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.894 5.215 -0.772 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.477 5.799 -3.478 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.878 4.747 -3.512 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.074 6.227 -1.957 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.659 7.249 -1.799 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.135 6.735 -4.413 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.371 8.145 -3.400 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.797 8.498 -3.633 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.893 7.350 -4.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.088 9.616 -5.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.534 8.775 -6.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.441 9.888 -4.757 1.00 0.00 H new ATOM 1194 N CYS A 79 -2.650 3.368 -0.896 1.00 0.00 N ATOM 1195 CA CYS A 79 -3.504 2.201 -0.706 1.00 0.00 C ATOM 1196 C CYS A 79 -4.958 2.646 -0.931 1.00 0.00 C ATOM 1197 O CYS A 79 -5.558 3.321 -0.090 1.00 0.00 O ATOM 1198 CB CYS A 79 -3.192 1.532 0.675 1.00 0.00 C ATOM 1199 SG CYS A 79 -4.467 1.542 1.995 1.00 0.00 S ATOM 0 H CYS A 79 -3.025 4.225 -0.488 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.311 1.409 -1.430 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.931 0.492 0.482 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.302 2.015 1.078 1.00 0.00 H new ATOM 1204 N VAL A 80 -5.483 2.332 -2.124 1.00 0.00 N ATOM 1205 CA VAL A 80 -6.834 2.756 -2.518 1.00 0.00 C ATOM 1206 C VAL A 80 -7.842 1.613 -2.462 1.00 0.00 C ATOM 1207 O VAL A 80 -7.546 0.488 -2.857 1.00 0.00 O ATOM 1208 CB VAL A 80 -6.859 3.361 -3.951 1.00 0.00 C ATOM 1209 CG1 VAL A 80 -8.163 4.114 -4.198 1.00 0.00 C ATOM 1210 CG2 VAL A 80 -5.666 4.283 -4.193 1.00 0.00 C ATOM 0 H VAL A 80 -4.993 1.786 -2.833 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.119 3.519 -1.793 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.792 2.531 -4.655 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.158 4.529 -5.206 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -9.004 3.429 -4.091 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.259 4.923 -3.474 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.717 4.687 -5.204 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.687 5.102 -3.474 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.741 3.719 -4.074 1.00 0.00 H new ATOM 1220 N VAL A 81 -9.055 1.934 -2.002 1.00 0.00 N ATOM 1221 CA VAL A 81 -10.147 0.970 -1.922 1.00 0.00 C ATOM 1222 C VAL A 81 -11.360 1.577 -2.641 1.00 0.00 C ATOM 1223 O VAL A 81 -11.641 2.761 -2.468 1.00 0.00 O ATOM 1224 CB VAL A 81 -10.423 0.571 -0.416 1.00 0.00 C ATOM 1225 CG1 VAL A 81 -11.834 0.892 0.088 1.00 0.00 C ATOM 1226 CG2 VAL A 81 -10.115 -0.905 -0.189 1.00 0.00 C ATOM 0 H VAL A 81 -9.303 2.868 -1.676 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.896 0.034 -2.421 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.750 1.197 0.170 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.928 0.583 1.129 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -12.013 1.964 0.011 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -12.567 0.357 -0.517 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -10.311 -1.162 0.852 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -10.747 -1.512 -0.837 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -9.067 -1.098 -0.419 1.00 0.00 H new ATOM 1236 N THR A 82 -12.051 0.785 -3.471 1.00 0.00 N ATOM 1237 CA THR A 82 -13.206 1.295 -4.228 1.00 0.00 C ATOM 1238 C THR A 82 -14.510 0.596 -3.854 1.00 0.00 C ATOM 1239 O THR A 82 -14.513 -0.573 -3.476 1.00 0.00 O ATOM 1240 CB THR A 82 -12.960 1.167 -5.734 1.00 0.00 C ATOM 1241 OG1 THR A 82 -11.586 1.341 -6.036 1.00 0.00 O ATOM 1242 CG2 THR A 82 -13.742 2.173 -6.553 1.00 0.00 C ATOM 0 H THR A 82 -11.836 -0.198 -3.636 1.00 0.00 H new ATOM 0 HA THR A 82 -13.313 2.347 -3.963 1.00 0.00 H new ATOM 0 HB THR A 82 -13.297 0.165 -5.999 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.450 1.254 -7.003 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.523 2.029 -7.611 1.00 0.00 H new ATOM 0 HG22 THR A 82 -14.809 2.032 -6.380 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.457 3.183 -6.258 1.00 0.00 H new ATOM 1250 N ALA A 83 -15.620 1.336 -3.970 1.00 0.00 N ATOM 1251 CA ALA A 83 -16.944 0.805 -3.649 1.00 0.00 C ATOM 1252 C ALA A 83 -17.605 0.177 -4.877 1.00 0.00 C ATOM 1253 O ALA A 83 -17.007 0.126 -5.953 1.00 0.00 O ATOM 1254 CB ALA A 83 -17.826 1.909 -3.081 1.00 0.00 C ATOM 0 H ALA A 83 -15.624 2.306 -4.285 1.00 0.00 H new ATOM 0 HA ALA A 83 -16.822 0.023 -2.899 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -18.810 1.504 -2.845 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -17.371 2.308 -2.174 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -17.929 2.707 -3.816 1.00 0.00 H new ATOM 1260 N GLU A 84 -18.844 -0.297 -4.704 1.00 0.00 N ATOM 1261 CA GLU A 84 -19.598 -0.922 -5.793 1.00 0.00 C ATOM 1262 C GLU A 84 -20.102 0.122 -6.791 1.00 0.00 C ATOM 1263 O GLU A 84 -20.180 -0.149 -7.991 1.00 0.00 O ATOM 1264 CB GLU A 84 -20.783 -1.717 -5.232 1.00 0.00 C ATOM 1265 CG GLU A 84 -21.403 -2.682 -6.234 1.00 0.00 C ATOM 1266 CD GLU A 84 -22.892 -2.886 -6.012 1.00 0.00 C ATOM 1267 OE1 GLU A 84 -23.660 -1.926 -6.231 1.00 0.00 O ATOM 1268 OE2 GLU A 84 -23.286 -4.004 -5.619 1.00 0.00 O ATOM 0 H GLU A 84 -19.346 -0.259 -3.817 1.00 0.00 H new ATOM 0 HA GLU A 84 -18.924 -1.600 -6.317 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -20.452 -2.278 -4.358 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -21.548 -1.020 -4.892 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -21.239 -2.305 -7.244 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -20.895 -3.644 -6.167 1.00 0.00 H new ATOM 1275 N ASP A 85 -20.452 1.312 -6.286 1.00 0.00 N ATOM 1276 CA ASP A 85 -20.958 2.392 -7.133 1.00 0.00 C ATOM 1277 C ASP A 85 -19.814 3.191 -7.760 1.00 0.00 C ATOM 1278 O ASP A 85 -19.926 3.644 -8.903 1.00 0.00 O ATOM 1279 CB ASP A 85 -21.874 3.321 -6.327 1.00 0.00 C ATOM 1280 CG ASP A 85 -21.198 3.903 -5.100 1.00 0.00 C ATOM 1281 OD1 ASP A 85 -21.164 3.218 -4.057 1.00 0.00 O ATOM 1282 OD2 ASP A 85 -20.707 5.048 -5.183 1.00 0.00 O ATOM 0 H ASP A 85 -20.393 1.548 -5.295 1.00 0.00 H new ATOM 0 HA ASP A 85 -21.534 1.939 -7.940 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -22.212 4.135 -6.969 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -22.761 2.769 -6.018 1.00 0.00 H new ATOM 1287 N GLY A 86 -18.718 3.362 -7.008 1.00 0.00 N ATOM 1288 CA GLY A 86 -17.567 4.109 -7.508 1.00 0.00 C ATOM 1289 C GLY A 86 -16.810 4.864 -6.420 1.00 0.00 C ATOM 1290 O GLY A 86 -15.635 5.188 -6.599 1.00 0.00 O ATOM 0 H GLY A 86 -18.609 2.996 -6.062 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -16.883 3.419 -8.003 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -17.905 4.819 -8.263 1.00 0.00 H new ATOM 1294 N THR A 87 -17.479 5.149 -5.292 1.00 0.00 N ATOM 1295 CA THR A 87 -16.859 5.876 -4.171 1.00 0.00 C ATOM 1296 C THR A 87 -15.630 5.134 -3.633 1.00 0.00 C ATOM 1297 O THR A 87 -15.760 4.064 -3.041 1.00 0.00 O ATOM 1298 CB THR A 87 -17.886 6.083 -3.044 1.00 0.00 C ATOM 1299 OG1 THR A 87 -19.019 6.782 -3.524 1.00 0.00 O ATOM 1300 CG2 THR A 87 -17.349 6.850 -1.852 1.00 0.00 C ATOM 0 H THR A 87 -18.451 4.887 -5.131 1.00 0.00 H new ATOM 0 HA THR A 87 -16.529 6.846 -4.542 1.00 0.00 H new ATOM 0 HB THR A 87 -18.143 5.077 -2.712 1.00 0.00 H new ATOM 0 HG1 THR A 87 -19.572 6.178 -4.062 1.00 0.00 H new ATOM 0 HG21 THR A 87 -18.134 6.953 -1.102 1.00 0.00 H new ATOM 0 HG22 THR A 87 -16.505 6.310 -1.422 1.00 0.00 H new ATOM 0 HG23 THR A 87 -17.021 7.839 -2.173 1.00 0.00 H new ATOM 1308 N GLN A 88 -14.443 5.717 -3.840 1.00 0.00 N ATOM 1309 CA GLN A 88 -13.187 5.117 -3.375 1.00 0.00 C ATOM 1310 C GLN A 88 -12.459 6.027 -2.380 1.00 0.00 C ATOM 1311 O GLN A 88 -12.316 7.229 -2.609 1.00 0.00 O ATOM 1312 CB GLN A 88 -12.250 4.809 -4.554 1.00 0.00 C ATOM 1313 CG GLN A 88 -12.183 5.910 -5.603 1.00 0.00 C ATOM 1314 CD GLN A 88 -10.821 6.014 -6.273 1.00 0.00 C ATOM 1315 OE1 GLN A 88 -10.258 7.104 -6.380 1.00 0.00 O ATOM 1316 NE2 GLN A 88 -10.283 4.884 -6.726 1.00 0.00 N ATOM 0 H GLN A 88 -14.326 6.605 -4.327 1.00 0.00 H new ATOM 0 HA GLN A 88 -13.452 4.187 -2.872 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -11.247 4.629 -4.168 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -12.578 3.886 -5.033 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -12.942 5.726 -6.363 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -12.425 6.864 -5.135 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -10.783 4.002 -6.617 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.371 4.900 -7.182 1.00 0.00 H new ATOM 1325 N SER A 89 -11.971 5.426 -1.291 1.00 0.00 N ATOM 1326 CA SER A 89 -11.217 6.133 -0.258 1.00 0.00 C ATOM 1327 C SER A 89 -9.807 5.559 -0.222 1.00 0.00 C ATOM 1328 O SER A 89 -9.644 4.337 -0.155 1.00 0.00 O ATOM 1329 CB SER A 89 -11.895 5.963 1.103 1.00 0.00 C ATOM 1330 OG SER A 89 -11.260 6.752 2.095 1.00 0.00 O ATOM 0 H SER A 89 -12.090 4.431 -1.103 1.00 0.00 H new ATOM 0 HA SER A 89 -11.181 7.199 -0.484 1.00 0.00 H new ATOM 0 HB2 SER A 89 -12.945 6.246 1.027 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.868 4.914 1.397 1.00 0.00 H new ATOM 0 HG SER A 89 -11.714 6.626 2.954 1.00 0.00 H new ATOM 1336 N GLU A 90 -8.789 6.422 -0.320 1.00 0.00 N ATOM 1337 CA GLU A 90 -7.394 5.961 -0.352 1.00 0.00 C ATOM 1338 C GLU A 90 -6.598 6.331 0.903 1.00 0.00 C ATOM 1339 O GLU A 90 -7.126 6.929 1.842 1.00 0.00 O ATOM 1340 CB GLU A 90 -6.702 6.509 -1.611 1.00 0.00 C ATOM 1341 CG GLU A 90 -6.514 8.021 -1.613 1.00 0.00 C ATOM 1342 CD GLU A 90 -6.520 8.617 -3.007 1.00 0.00 C ATOM 1343 OE1 GLU A 90 -7.497 8.382 -3.748 1.00 0.00 O ATOM 1344 OE2 GLU A 90 -5.548 9.320 -3.359 1.00 0.00 O ATOM 0 H GLU A 90 -8.902 7.434 -0.378 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.419 4.872 -0.379 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.727 6.033 -1.712 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.287 6.226 -2.486 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.307 8.481 -1.024 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.571 8.265 -1.124 1.00 0.00 H new ATOM 1351 N ALA A 91 -5.315 5.951 0.890 1.00 0.00 N ATOM 1352 CA ALA A 91 -4.402 6.208 1.992 1.00 0.00 C ATOM 1353 C ALA A 91 -2.984 6.422 1.463 1.00 0.00 C ATOM 1354 O ALA A 91 -2.734 6.237 0.271 1.00 0.00 O ATOM 1355 CB ALA A 91 -4.427 5.038 2.961 1.00 0.00 C ATOM 0 H ALA A 91 -4.887 5.455 0.108 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.719 7.111 2.514 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.742 5.234 3.786 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.437 4.910 3.351 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.121 4.130 2.442 1.00 0.00 H new ATOM 1361 N THR A 92 -2.057 6.800 2.348 1.00 0.00 N ATOM 1362 CA THR A 92 -0.664 7.021 1.955 1.00 0.00 C ATOM 1363 C THR A 92 0.289 6.657 3.088 1.00 0.00 C ATOM 1364 O THR A 92 -0.095 6.669 4.260 1.00 0.00 O ATOM 1365 CB THR A 92 -0.440 8.481 1.526 1.00 0.00 C ATOM 1366 OG1 THR A 92 -1.331 9.352 2.200 1.00 0.00 O ATOM 1367 CG2 THR A 92 -0.621 8.697 0.040 1.00 0.00 C ATOM 0 H THR A 92 -2.246 6.959 3.338 1.00 0.00 H new ATOM 0 HA THR A 92 -0.454 6.372 1.105 1.00 0.00 H new ATOM 0 HB THR A 92 0.594 8.703 1.789 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.168 10.274 1.912 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.449 9.747 -0.199 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.091 8.079 -0.507 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.636 8.421 -0.247 1.00 0.00 H new ATOM 1375 N VAL A 93 1.535 6.333 2.722 1.00 0.00 N ATOM 1376 CA VAL A 93 2.553 5.964 3.700 1.00 0.00 C ATOM 1377 C VAL A 93 3.942 6.461 3.273 1.00 0.00 C ATOM 1378 O VAL A 93 4.474 6.023 2.252 1.00 0.00 O ATOM 1379 CB VAL A 93 2.575 4.427 3.914 1.00 0.00 C ATOM 1380 CG1 VAL A 93 2.862 3.694 2.601 1.00 0.00 C ATOM 1381 CG2 VAL A 93 3.568 4.024 5.010 1.00 0.00 C ATOM 0 H VAL A 93 1.858 6.320 1.755 1.00 0.00 H new ATOM 0 HA VAL A 93 2.296 6.446 4.643 1.00 0.00 H new ATOM 0 HB VAL A 93 1.583 4.127 4.253 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.872 2.619 2.779 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.087 3.934 1.873 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.832 4.007 2.214 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.556 2.941 5.132 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.571 4.346 4.729 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.285 4.498 5.950 1.00 0.00 H new ATOM 1391 N ASN A 94 4.524 7.358 4.080 1.00 0.00 N ATOM 1392 CA ASN A 94 5.859 7.896 3.809 1.00 0.00 C ATOM 1393 C ASN A 94 6.913 6.807 4.052 1.00 0.00 C ATOM 1394 O ASN A 94 7.254 6.508 5.198 1.00 0.00 O ATOM 1395 CB ASN A 94 6.107 9.151 4.690 1.00 0.00 C ATOM 1396 CG ASN A 94 7.573 9.576 4.834 1.00 0.00 C ATOM 1397 OD1 ASN A 94 7.978 10.066 5.889 1.00 0.00 O ATOM 1398 ND2 ASN A 94 8.374 9.393 3.786 1.00 0.00 N ATOM 0 H ASN A 94 4.089 7.725 4.926 1.00 0.00 H new ATOM 0 HA ASN A 94 5.934 8.204 2.766 1.00 0.00 H new ATOM 0 HB2 ASN A 94 5.544 9.985 4.270 1.00 0.00 H new ATOM 0 HB3 ASN A 94 5.702 8.961 5.684 1.00 0.00 H new ATOM 0 HD21 ASN A 94 9.356 9.662 3.842 1.00 0.00 H new ATOM 0 HD22 ASN A 94 8.005 8.984 2.927 1.00 0.00 H new ATOM 1405 N VAL A 95 7.419 6.219 2.962 1.00 0.00 N ATOM 1406 CA VAL A 95 8.429 5.159 3.047 1.00 0.00 C ATOM 1407 C VAL A 95 9.807 5.692 2.647 1.00 0.00 C ATOM 1408 O VAL A 95 10.038 6.017 1.480 1.00 0.00 O ATOM 1409 CB VAL A 95 8.074 3.947 2.149 1.00 0.00 C ATOM 1410 CG1 VAL A 95 8.992 2.770 2.452 1.00 0.00 C ATOM 1411 CG2 VAL A 95 6.611 3.538 2.326 1.00 0.00 C ATOM 0 H VAL A 95 7.145 6.460 2.010 1.00 0.00 H new ATOM 0 HA VAL A 95 8.449 4.826 4.085 1.00 0.00 H new ATOM 0 HB VAL A 95 8.219 4.247 1.111 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.728 1.928 1.812 1.00 0.00 H new ATOM 0 HG12 VAL A 95 10.026 3.058 2.264 1.00 0.00 H new ATOM 0 HG13 VAL A 95 8.880 2.481 3.497 1.00 0.00 H new ATOM 0 HG21 VAL A 95 6.391 2.685 1.683 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.433 3.264 3.366 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.965 4.373 2.055 1.00 0.00 H new ATOM 1421 N LYS A 96 10.715 5.778 3.624 1.00 0.00 N ATOM 1422 CA LYS A 96 12.071 6.272 3.386 1.00 0.00 C ATOM 1423 C LYS A 96 13.064 5.121 3.226 1.00 0.00 C ATOM 1424 O LYS A 96 12.900 4.062 3.832 1.00 0.00 O ATOM 1425 CB LYS A 96 12.507 7.176 4.546 1.00 0.00 C ATOM 1426 CG LYS A 96 11.962 8.596 4.439 1.00 0.00 C ATOM 1427 CD LYS A 96 12.892 9.626 5.080 1.00 0.00 C ATOM 1428 CE LYS A 96 12.480 9.959 6.508 1.00 0.00 C ATOM 1429 NZ LYS A 96 11.477 11.059 6.556 1.00 0.00 N ATOM 0 H LYS A 96 10.532 5.510 4.591 1.00 0.00 H new ATOM 0 HA LYS A 96 12.063 6.844 2.458 1.00 0.00 H new ATOM 0 HB2 LYS A 96 12.174 6.736 5.486 1.00 0.00 H new ATOM 0 HB3 LYS A 96 13.596 7.213 4.580 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.814 8.848 3.389 1.00 0.00 H new ATOM 0 HG3 LYS A 96 10.985 8.644 4.919 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.913 9.243 5.077 1.00 0.00 H new ATOM 0 HD3 LYS A 96 12.891 10.537 4.481 1.00 0.00 H new ATOM 0 HE2 LYS A 96 12.066 9.070 6.983 1.00 0.00 H new ATOM 0 HE3 LYS A 96 13.361 10.246 7.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 11.223 11.255 7.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.880 11.916 6.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.626 10.776 6.030 1.00 0.00 H new ATOM 1443 N ILE A 97 14.113 5.356 2.428 1.00 0.00 N ATOM 1444 CA ILE A 97 15.168 4.364 2.209 1.00 0.00 C ATOM 1445 C ILE A 97 16.526 5.061 2.195 1.00 0.00 C ATOM 1446 O ILE A 97 16.786 5.920 1.349 1.00 0.00 O ATOM 1447 CB ILE A 97 14.984 3.537 0.910 1.00 0.00 C ATOM 1448 CG1 ILE A 97 13.534 3.005 0.820 1.00 0.00 C ATOM 1449 CG2 ILE A 97 16.007 2.393 0.881 1.00 0.00 C ATOM 1450 CD1 ILE A 97 13.276 2.018 -0.304 1.00 0.00 C ATOM 0 H ILE A 97 14.252 6.230 1.922 1.00 0.00 H new ATOM 0 HA ILE A 97 15.108 3.654 3.034 1.00 0.00 H new ATOM 0 HB ILE A 97 15.158 4.172 0.041 1.00 0.00 H new ATOM 0 HG12 ILE A 97 13.280 2.528 1.766 1.00 0.00 H new ATOM 0 HG13 ILE A 97 12.860 3.853 0.699 1.00 0.00 H new ATOM 0 HG21 ILE A 97 15.877 1.812 -0.032 1.00 0.00 H new ATOM 0 HG22 ILE A 97 17.015 2.806 0.908 1.00 0.00 H new ATOM 0 HG23 ILE A 97 15.856 1.748 1.746 1.00 0.00 H new ATOM 0 HD11 ILE A 97 12.232 1.705 -0.281 1.00 0.00 H new ATOM 0 HD12 ILE A 97 13.492 2.492 -1.261 1.00 0.00 H new ATOM 0 HD13 ILE A 97 13.918 1.147 -0.178 1.00 0.00 H new ATOM 1462 N PHE A 98 17.379 4.693 3.153 1.00 0.00 N ATOM 1463 CA PHE A 98 18.720 5.285 3.286 1.00 0.00 C ATOM 1464 C PHE A 98 19.796 4.232 3.018 1.00 0.00 C ATOM 1465 O PHE A 98 19.732 3.122 3.550 1.00 0.00 O ATOM 1466 CB PHE A 98 18.918 5.926 4.690 1.00 0.00 C ATOM 1467 CG PHE A 98 17.954 5.441 5.746 1.00 0.00 C ATOM 1468 CD1 PHE A 98 16.687 5.996 5.848 1.00 0.00 C ATOM 1469 CD2 PHE A 98 18.304 4.415 6.607 1.00 0.00 C ATOM 1470 CE1 PHE A 98 15.789 5.537 6.786 1.00 0.00 C ATOM 1471 CE2 PHE A 98 17.410 3.956 7.555 1.00 0.00 C ATOM 1472 CZ PHE A 98 16.150 4.518 7.641 1.00 0.00 C ATOM 0 H PHE A 98 17.167 3.983 3.854 1.00 0.00 H new ATOM 0 HA PHE A 98 18.814 6.077 2.543 1.00 0.00 H new ATOM 0 HB2 PHE A 98 19.935 5.725 5.026 1.00 0.00 H new ATOM 0 HB3 PHE A 98 18.821 7.008 4.598 1.00 0.00 H new ATOM 0 HD1 PHE A 98 16.401 6.798 5.184 1.00 0.00 H new ATOM 0 HD2 PHE A 98 19.285 3.969 6.537 1.00 0.00 H new ATOM 0 HE1 PHE A 98 14.804 5.975 6.851 1.00 0.00 H new ATOM 0 HE2 PHE A 98 17.695 3.160 8.227 1.00 0.00 H new ATOM 0 HZ PHE A 98 15.448 4.158 8.379 1.00 0.00 H new ATOM 1482 N GLN A 99 20.776 4.592 2.183 1.00 0.00 N ATOM 1483 CA GLN A 99 21.869 3.685 1.830 1.00 0.00 C ATOM 1484 C GLN A 99 23.035 3.834 2.802 1.00 0.00 C ATOM 1485 O GLN A 99 23.712 2.819 3.070 1.00 0.00 O ATOM 1486 CB GLN A 99 22.343 3.952 0.398 1.00 0.00 C ATOM 1487 CG GLN A 99 22.752 5.396 0.143 1.00 0.00 C ATOM 1488 CD GLN A 99 23.446 5.581 -1.196 1.00 0.00 C ATOM 1489 OE1 GLN A 99 24.613 5.969 -1.252 1.00 0.00 O ATOM 1490 NE2 GLN A 99 22.731 5.307 -2.287 1.00 0.00 N ATOM 1491 OXT GLN A 99 23.263 4.963 3.283 1.00 0.00 O ATOM 0 H GLN A 99 20.833 5.508 1.739 1.00 0.00 H new ATOM 0 HA GLN A 99 21.494 2.663 1.895 1.00 0.00 H new ATOM 0 HB2 GLN A 99 23.189 3.301 0.178 1.00 0.00 H new ATOM 0 HB3 GLN A 99 21.545 3.683 -0.294 1.00 0.00 H new ATOM 0 HG2 GLN A 99 21.867 6.032 0.180 1.00 0.00 H new ATOM 0 HG3 GLN A 99 23.416 5.727 0.941 1.00 0.00 H new ATOM 0 HE21 GLN A 99 21.766 4.988 -2.198 1.00 0.00 H new ATOM 0 HE22 GLN A 99 23.148 5.417 -3.211 1.00 0.00 H new