USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 696 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 81 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 85 GLN : amide:sc= -0.764 K(o=-0.76,f=-5!) USER MOD Set 2.1: A 65 GLN : amide:sc= 0 X(o=-2.1,f=-2.1) USER MOD Set 2.2: A 67 ASN : amide:sc= -2.1 K(o=-2.1,f=-4.2!) USER MOD Set 3.1: A 52 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 63 HIS : no HD1:sc= -0.804 K(o=-0.8,f=-0.17) USER MOD Set 4.1: A 25 GLN : amide:sc= -0.731! C(o=-0.91!,f=-12!) USER MOD Set 4.2: A 60 LYS NZ :NH3+ -111:sc= -0.178! (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 150:sc=-0.00106 USER MOD Single : A 6 SER OG : rot -110:sc= -0.755 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc=-0.00662 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 20 MET CE :methyl 142:sc=-0.00496 (180deg=-0.511) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -4.17! C(o=-4.2!,f=-20!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.00464 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -1.54 K(o=-1.5,f=-7!) USER MOD Single : A 38 TYR OH : rot -158:sc= 0.867 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc=-0.00433 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -138:sc= -1.4 (180deg=-1.8!) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 67:sc= 0.41 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.432 -19.458 -1.894 1.00 0.00 N ATOM 2 CA GLY A 1 -25.156 -18.100 -1.462 1.00 0.00 C ATOM 3 C GLY A 1 -23.817 -17.593 -1.959 1.00 0.00 C ATOM 4 O GLY A 1 -23.722 -17.047 -3.058 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.358 -19.757 -1.528 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.441 -19.497 -2.933 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.694 -20.095 -1.531 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.946 -17.441 -1.821 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.175 -18.058 -0.373 1.00 0.00 H new ATOM 8 N SER A 2 -22.780 -17.772 -1.148 1.00 0.00 N ATOM 9 CA SER A 2 -21.440 -17.323 -1.510 1.00 0.00 C ATOM 10 C SER A 2 -21.171 -17.557 -2.993 1.00 0.00 C ATOM 11 O SER A 2 -21.527 -18.599 -3.543 1.00 0.00 O ATOM 12 CB SER A 2 -20.390 -18.052 -0.669 1.00 0.00 C ATOM 13 OG SER A 2 -20.408 -17.599 0.673 1.00 0.00 O ATOM 0 H SER A 2 -22.841 -18.225 -0.236 1.00 0.00 H new ATOM 0 HA SER A 2 -21.376 -16.253 -1.311 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.579 -19.125 -0.696 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.401 -17.891 -1.097 1.00 0.00 H new ATOM 0 HG SER A 2 -19.729 -18.081 1.190 1.00 0.00 H new ATOM 19 N SER A 3 -20.541 -16.578 -3.636 1.00 0.00 N ATOM 20 CA SER A 3 -20.227 -16.674 -5.057 1.00 0.00 C ATOM 21 C SER A 3 -19.039 -17.604 -5.289 1.00 0.00 C ATOM 22 O SER A 3 -19.130 -18.568 -6.048 1.00 0.00 O ATOM 23 CB SER A 3 -19.924 -15.288 -5.628 1.00 0.00 C ATOM 24 OG SER A 3 -20.121 -15.261 -7.031 1.00 0.00 O ATOM 0 H SER A 3 -20.238 -15.709 -3.195 1.00 0.00 H new ATOM 0 HA SER A 3 -21.095 -17.088 -5.569 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.567 -14.547 -5.153 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.895 -15.013 -5.397 1.00 0.00 H new ATOM 0 HG SER A 3 -19.923 -14.364 -7.372 1.00 0.00 H new ATOM 30 N GLY A 4 -17.925 -17.306 -4.628 1.00 0.00 N ATOM 31 CA GLY A 4 -16.734 -18.123 -4.776 1.00 0.00 C ATOM 32 C GLY A 4 -15.561 -17.586 -3.981 1.00 0.00 C ATOM 33 O GLY A 4 -15.086 -16.479 -4.232 1.00 0.00 O ATOM 0 H GLY A 4 -17.826 -16.514 -3.993 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.953 -19.141 -4.453 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.461 -18.175 -5.830 1.00 0.00 H new ATOM 37 N SER A 5 -15.094 -18.373 -3.015 1.00 0.00 N ATOM 38 CA SER A 5 -13.972 -17.967 -2.176 1.00 0.00 C ATOM 39 C SER A 5 -12.666 -17.993 -2.965 1.00 0.00 C ATOM 40 O SER A 5 -12.150 -19.059 -3.298 1.00 0.00 O ATOM 41 CB SER A 5 -13.862 -18.886 -0.957 1.00 0.00 C ATOM 42 OG SER A 5 -14.901 -18.629 -0.029 1.00 0.00 O ATOM 0 H SER A 5 -15.475 -19.293 -2.795 1.00 0.00 H new ATOM 0 HA SER A 5 -14.153 -16.946 -1.839 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.906 -19.927 -1.277 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.895 -18.741 -0.475 1.00 0.00 H new ATOM 0 HG SER A 5 -15.120 -19.454 0.453 1.00 0.00 H new ATOM 48 N SER A 6 -12.138 -16.810 -3.260 1.00 0.00 N ATOM 49 CA SER A 6 -10.895 -16.694 -4.014 1.00 0.00 C ATOM 50 C SER A 6 -9.722 -17.255 -3.216 1.00 0.00 C ATOM 51 O SER A 6 -8.703 -17.648 -3.781 1.00 0.00 O ATOM 52 CB SER A 6 -10.627 -15.232 -4.375 1.00 0.00 C ATOM 53 OG SER A 6 -11.635 -14.726 -5.234 1.00 0.00 O ATOM 0 H SER A 6 -12.551 -15.918 -2.989 1.00 0.00 H new ATOM 0 HA SER A 6 -11.000 -17.274 -4.931 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.584 -14.632 -3.466 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.655 -15.146 -4.860 1.00 0.00 H new ATOM 0 HG SER A 6 -11.261 -14.582 -6.128 1.00 0.00 H new ATOM 59 N GLY A 7 -9.875 -17.289 -1.895 1.00 0.00 N ATOM 60 CA GLY A 7 -8.822 -17.804 -1.039 1.00 0.00 C ATOM 61 C GLY A 7 -7.586 -16.925 -1.049 1.00 0.00 C ATOM 62 O GLY A 7 -6.825 -16.922 -2.016 1.00 0.00 O ATOM 0 H GLY A 7 -10.709 -16.969 -1.403 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.196 -17.889 -0.019 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.552 -18.809 -1.364 1.00 0.00 H new ATOM 66 N CYS A 8 -7.387 -16.176 0.030 1.00 0.00 N ATOM 67 CA CYS A 8 -6.237 -15.287 0.143 1.00 0.00 C ATOM 68 C CYS A 8 -4.939 -16.085 0.227 1.00 0.00 C ATOM 69 O CYS A 8 -4.956 -17.302 0.414 1.00 0.00 O ATOM 70 CB CYS A 8 -6.378 -14.390 1.374 1.00 0.00 C ATOM 71 SG CYS A 8 -5.259 -12.952 1.378 1.00 0.00 S ATOM 0 H CYS A 8 -8.008 -16.167 0.839 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.202 -14.663 -0.750 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.407 -14.036 1.437 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -6.191 -14.985 2.268 1.00 0.00 H new ATOM 76 N LYS A 9 -3.814 -15.391 0.088 1.00 0.00 N ATOM 77 CA LYS A 9 -2.507 -16.033 0.149 1.00 0.00 C ATOM 78 C LYS A 9 -1.805 -15.715 1.467 1.00 0.00 C ATOM 79 O LYS A 9 -1.181 -16.584 2.076 1.00 0.00 O ATOM 80 CB LYS A 9 -1.638 -15.579 -1.025 1.00 0.00 C ATOM 81 CG LYS A 9 -1.799 -16.438 -2.268 1.00 0.00 C ATOM 82 CD LYS A 9 -0.792 -16.059 -3.342 1.00 0.00 C ATOM 83 CE LYS A 9 -1.311 -14.929 -4.218 1.00 0.00 C ATOM 84 NZ LYS A 9 -0.748 -14.991 -5.595 1.00 0.00 N ATOM 0 H LYS A 9 -3.782 -14.383 -0.068 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.657 -17.111 0.088 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.886 -14.547 -1.272 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.592 -15.591 -0.718 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.673 -17.488 -2.004 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.810 -16.326 -2.660 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.145 -15.757 -2.874 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.573 -16.929 -3.961 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.399 -14.979 -4.268 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.056 -13.971 -3.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.126 -14.204 -6.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.288 -14.918 -5.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.013 -15.894 -6.038 1.00 0.00 H new ATOM 98 N LEU A 10 -1.913 -14.464 1.902 1.00 0.00 N ATOM 99 CA LEU A 10 -1.291 -14.031 3.148 1.00 0.00 C ATOM 100 C LEU A 10 -2.002 -14.641 4.352 1.00 0.00 C ATOM 101 O LEU A 10 -1.438 -15.472 5.064 1.00 0.00 O ATOM 102 CB LEU A 10 -1.311 -12.505 3.248 1.00 0.00 C ATOM 103 CG LEU A 10 -0.695 -11.747 2.072 1.00 0.00 C ATOM 104 CD1 LEU A 10 -1.032 -10.266 2.156 1.00 0.00 C ATOM 105 CD2 LEU A 10 0.812 -11.952 2.038 1.00 0.00 C ATOM 0 H LEU A 10 -2.426 -13.732 1.410 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.257 -14.375 3.148 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.346 -12.182 3.360 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.785 -12.214 4.157 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.117 -12.142 1.148 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.585 -9.743 1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.114 -10.137 2.132 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.639 -9.856 3.086 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.235 -11.406 1.195 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.250 -11.584 2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.032 -13.014 1.929 1.00 0.00 H new ATOM 117 N CYS A 11 -3.245 -14.224 4.572 1.00 0.00 N ATOM 118 CA CYS A 11 -4.035 -14.730 5.688 1.00 0.00 C ATOM 119 C CYS A 11 -4.630 -16.096 5.358 1.00 0.00 C ATOM 120 O CYS A 11 -4.937 -16.885 6.254 1.00 0.00 O ATOM 121 CB CYS A 11 -5.153 -13.745 6.036 1.00 0.00 C ATOM 122 SG CYS A 11 -6.407 -13.551 4.730 1.00 0.00 S ATOM 0 H CYS A 11 -3.726 -13.537 3.992 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.375 -14.839 6.548 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.645 -14.078 6.950 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.712 -12.771 6.248 1.00 0.00 H new ATOM 127 N LEU A 12 -4.791 -16.370 4.068 1.00 0.00 N ATOM 128 CA LEU A 12 -5.349 -17.640 3.619 1.00 0.00 C ATOM 129 C LEU A 12 -6.755 -17.843 4.172 1.00 0.00 C ATOM 130 O LEU A 12 -7.068 -18.891 4.735 1.00 0.00 O ATOM 131 CB LEU A 12 -4.446 -18.798 4.052 1.00 0.00 C ATOM 132 CG LEU A 12 -3.060 -18.845 3.409 1.00 0.00 C ATOM 133 CD1 LEU A 12 -2.046 -19.445 4.370 1.00 0.00 C ATOM 134 CD2 LEU A 12 -3.101 -19.638 2.110 1.00 0.00 C ATOM 0 H LEU A 12 -4.543 -15.729 3.314 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.406 -17.619 2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.321 -18.750 5.134 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.959 -19.734 3.831 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.752 -17.825 3.179 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.065 -19.470 3.895 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.996 -18.837 5.273 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.349 -20.459 4.632 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.106 -19.661 1.666 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.430 -20.657 2.316 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.797 -19.165 1.417 1.00 0.00 H new ATOM 146 N GLY A 13 -7.603 -16.831 4.005 1.00 0.00 N ATOM 147 CA GLY A 13 -8.968 -16.919 4.491 1.00 0.00 C ATOM 148 C GLY A 13 -9.983 -16.949 3.366 1.00 0.00 C ATOM 149 O GLY A 13 -9.822 -16.261 2.359 1.00 0.00 O ATOM 0 H GLY A 13 -7.369 -15.953 3.542 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.077 -17.817 5.098 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.175 -16.068 5.140 1.00 0.00 H new ATOM 153 N GLU A 14 -11.031 -17.749 3.537 1.00 0.00 N ATOM 154 CA GLU A 14 -12.075 -17.866 2.526 1.00 0.00 C ATOM 155 C GLU A 14 -12.975 -16.634 2.527 1.00 0.00 C ATOM 156 O GLU A 14 -13.703 -16.385 3.487 1.00 0.00 O ATOM 157 CB GLU A 14 -12.912 -19.123 2.769 1.00 0.00 C ATOM 158 CG GLU A 14 -12.251 -20.400 2.280 1.00 0.00 C ATOM 159 CD GLU A 14 -12.991 -21.647 2.723 1.00 0.00 C ATOM 160 OE1 GLU A 14 -13.292 -21.763 3.929 1.00 0.00 O ATOM 161 OE2 GLU A 14 -13.269 -22.508 1.862 1.00 0.00 O ATOM 0 H GLU A 14 -11.179 -18.325 4.366 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.594 -17.941 1.551 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.113 -19.214 3.836 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.875 -19.009 2.272 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.196 -20.382 1.192 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.227 -20.439 2.650 1.00 0.00 H new ATOM 168 N TYR A 15 -12.916 -15.866 1.444 1.00 0.00 N ATOM 169 CA TYR A 15 -13.723 -14.658 1.321 1.00 0.00 C ATOM 170 C TYR A 15 -14.249 -14.497 -0.103 1.00 0.00 C ATOM 171 O TYR A 15 -13.649 -14.966 -1.070 1.00 0.00 O ATOM 172 CB TYR A 15 -12.901 -13.429 1.714 1.00 0.00 C ATOM 173 CG TYR A 15 -12.122 -13.607 2.997 1.00 0.00 C ATOM 174 CD1 TYR A 15 -12.773 -13.837 4.203 1.00 0.00 C ATOM 175 CD2 TYR A 15 -10.734 -13.545 3.004 1.00 0.00 C ATOM 176 CE1 TYR A 15 -12.065 -13.999 5.378 1.00 0.00 C ATOM 177 CE2 TYR A 15 -10.017 -13.707 4.174 1.00 0.00 C ATOM 178 CZ TYR A 15 -10.687 -13.934 5.358 1.00 0.00 C ATOM 179 OH TYR A 15 -9.977 -14.097 6.526 1.00 0.00 O ATOM 0 H TYR A 15 -12.319 -16.058 0.640 1.00 0.00 H new ATOM 0 HA TYR A 15 -14.574 -14.750 1.996 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -12.207 -13.193 0.907 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -13.569 -12.574 1.820 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -13.852 -13.890 4.222 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -10.206 -13.367 2.079 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -12.587 -14.175 6.307 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -8.938 -13.656 4.161 1.00 0.00 H new ATOM 0 HH TYR A 15 -9.018 -14.024 6.339 1.00 0.00 H new ATOM 189 N PRO A 16 -15.398 -13.818 -0.234 1.00 0.00 N ATOM 190 CA PRO A 16 -16.031 -13.578 -1.534 1.00 0.00 C ATOM 191 C PRO A 16 -15.239 -12.597 -2.393 1.00 0.00 C ATOM 192 O PRO A 16 -14.551 -11.718 -1.874 1.00 0.00 O ATOM 193 CB PRO A 16 -17.392 -12.985 -1.162 1.00 0.00 C ATOM 194 CG PRO A 16 -17.183 -12.369 0.178 1.00 0.00 C ATOM 195 CD PRO A 16 -16.167 -13.231 0.876 1.00 0.00 C ATOM 0 HA PRO A 16 -16.096 -14.489 -2.130 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -17.714 -12.243 -1.893 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -18.163 -13.754 -1.128 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -16.826 -11.343 0.085 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -18.116 -12.332 0.740 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -15.531 -12.645 1.540 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -16.643 -13.999 1.486 1.00 0.00 H new ATOM 203 N VAL A 17 -15.342 -12.753 -3.709 1.00 0.00 N ATOM 204 CA VAL A 17 -14.636 -11.880 -4.639 1.00 0.00 C ATOM 205 C VAL A 17 -14.995 -10.419 -4.401 1.00 0.00 C ATOM 206 O VAL A 17 -14.255 -9.516 -4.790 1.00 0.00 O ATOM 207 CB VAL A 17 -14.954 -12.245 -6.102 1.00 0.00 C ATOM 208 CG1 VAL A 17 -14.452 -13.644 -6.426 1.00 0.00 C ATOM 209 CG2 VAL A 17 -16.448 -12.131 -6.365 1.00 0.00 C ATOM 0 H VAL A 17 -15.907 -13.476 -4.155 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.570 -12.022 -4.460 1.00 0.00 H new ATOM 0 HB VAL A 17 -14.438 -11.541 -6.755 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -14.686 -13.883 -7.463 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -13.373 -13.687 -6.278 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -14.937 -14.366 -5.769 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -16.656 -12.392 -7.403 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -16.987 -12.811 -5.705 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -16.774 -11.108 -6.176 1.00 0.00 H new ATOM 219 N GLU A 18 -16.137 -10.192 -3.759 1.00 0.00 N ATOM 220 CA GLU A 18 -16.594 -8.839 -3.469 1.00 0.00 C ATOM 221 C GLU A 18 -15.642 -8.136 -2.505 1.00 0.00 C ATOM 222 O GLU A 18 -15.347 -6.952 -2.663 1.00 0.00 O ATOM 223 CB GLU A 18 -18.006 -8.869 -2.877 1.00 0.00 C ATOM 224 CG GLU A 18 -19.084 -9.215 -3.890 1.00 0.00 C ATOM 225 CD GLU A 18 -20.453 -8.708 -3.482 1.00 0.00 C ATOM 226 OE1 GLU A 18 -20.525 -7.612 -2.887 1.00 0.00 O ATOM 227 OE2 GLU A 18 -21.452 -9.405 -3.758 1.00 0.00 O ATOM 0 H GLU A 18 -16.762 -10.928 -3.430 1.00 0.00 H new ATOM 0 HA GLU A 18 -16.611 -8.282 -4.406 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -18.035 -9.596 -2.066 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -18.229 -7.895 -2.441 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -18.817 -8.791 -4.858 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -19.124 -10.297 -4.017 1.00 0.00 H new ATOM 234 N GLN A 19 -15.166 -8.877 -1.510 1.00 0.00 N ATOM 235 CA GLN A 19 -14.248 -8.325 -0.520 1.00 0.00 C ATOM 236 C GLN A 19 -12.801 -8.639 -0.884 1.00 0.00 C ATOM 237 O GLN A 19 -11.988 -8.958 -0.018 1.00 0.00 O ATOM 238 CB GLN A 19 -14.569 -8.879 0.869 1.00 0.00 C ATOM 239 CG GLN A 19 -15.607 -8.065 1.625 1.00 0.00 C ATOM 240 CD GLN A 19 -15.807 -8.549 3.047 1.00 0.00 C ATOM 241 OE1 GLN A 19 -14.852 -8.662 3.817 1.00 0.00 O ATOM 242 NE2 GLN A 19 -17.052 -8.840 3.405 1.00 0.00 N ATOM 0 H GLN A 19 -15.400 -9.860 -1.368 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.374 -7.242 -0.509 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -14.926 -9.904 0.768 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.652 -8.917 1.456 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.301 -7.019 1.641 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -16.557 -8.111 1.093 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -17.814 -8.732 2.735 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -17.247 -9.172 4.350 1.00 0.00 H new ATOM 251 N MET A 20 -12.488 -8.548 -2.173 1.00 0.00 N ATOM 252 CA MET A 20 -11.138 -8.822 -2.652 1.00 0.00 C ATOM 253 C MET A 20 -10.719 -7.804 -3.707 1.00 0.00 C ATOM 254 O MET A 20 -11.560 -7.156 -4.329 1.00 0.00 O ATOM 255 CB MET A 20 -11.057 -10.236 -3.229 1.00 0.00 C ATOM 256 CG MET A 20 -11.423 -11.323 -2.232 1.00 0.00 C ATOM 257 SD MET A 20 -10.245 -11.442 -0.871 1.00 0.00 S ATOM 258 CE MET A 20 -9.156 -12.728 -1.478 1.00 0.00 C ATOM 0 H MET A 20 -13.150 -8.287 -2.904 1.00 0.00 H new ATOM 0 HA MET A 20 -10.455 -8.743 -1.806 1.00 0.00 H new ATOM 0 HB2 MET A 20 -11.721 -10.306 -4.090 1.00 0.00 H new ATOM 0 HB3 MET A 20 -10.045 -10.414 -3.592 1.00 0.00 H new ATOM 0 HG2 MET A 20 -12.417 -11.123 -1.831 1.00 0.00 H new ATOM 0 HG3 MET A 20 -11.474 -12.282 -2.748 1.00 0.00 H new ATOM 0 HE1 MET A 20 -8.128 -12.494 -1.203 1.00 0.00 H new ATOM 0 HE2 MET A 20 -9.441 -13.684 -1.038 1.00 0.00 H new ATOM 0 HE3 MET A 20 -9.236 -12.790 -2.563 1.00 0.00 H new ATOM 268 N THR A 21 -9.411 -7.668 -3.904 1.00 0.00 N ATOM 269 CA THR A 21 -8.879 -6.728 -4.883 1.00 0.00 C ATOM 270 C THR A 21 -7.804 -7.380 -5.745 1.00 0.00 C ATOM 271 O THR A 21 -6.853 -7.970 -5.230 1.00 0.00 O ATOM 272 CB THR A 21 -8.287 -5.481 -4.200 1.00 0.00 C ATOM 273 OG1 THR A 21 -9.257 -4.893 -3.327 1.00 0.00 O ATOM 274 CG2 THR A 21 -7.841 -4.457 -5.234 1.00 0.00 C ATOM 0 H THR A 21 -8.701 -8.197 -3.398 1.00 0.00 H new ATOM 0 HA THR A 21 -9.713 -6.425 -5.516 1.00 0.00 H new ATOM 0 HB THR A 21 -7.418 -5.791 -3.620 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.872 -4.102 -2.896 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.426 -3.585 -4.728 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.080 -4.898 -5.878 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.696 -4.153 -5.838 1.00 0.00 H new ATOM 282 N THR A 22 -7.961 -7.272 -7.061 1.00 0.00 N ATOM 283 CA THR A 22 -7.003 -7.852 -7.994 1.00 0.00 C ATOM 284 C THR A 22 -6.165 -6.770 -8.665 1.00 0.00 C ATOM 285 O THR A 22 -6.685 -5.727 -9.064 1.00 0.00 O ATOM 286 CB THR A 22 -7.712 -8.684 -9.081 1.00 0.00 C ATOM 287 OG1 THR A 22 -8.472 -9.735 -8.474 1.00 0.00 O ATOM 288 CG2 THR A 22 -6.703 -9.276 -10.052 1.00 0.00 C ATOM 0 H THR A 22 -8.742 -6.788 -7.504 1.00 0.00 H new ATOM 0 HA THR A 22 -6.351 -8.505 -7.413 1.00 0.00 H new ATOM 0 HB THR A 22 -8.381 -8.025 -9.634 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.921 -10.258 -9.170 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.226 -9.859 -10.810 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.146 -8.472 -10.533 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.012 -9.922 -9.510 1.00 0.00 H new ATOM 296 N ILE A 23 -4.867 -7.025 -8.787 1.00 0.00 N ATOM 297 CA ILE A 23 -3.957 -6.072 -9.412 1.00 0.00 C ATOM 298 C ILE A 23 -3.933 -6.247 -10.927 1.00 0.00 C ATOM 299 O ILE A 23 -4.111 -7.353 -11.437 1.00 0.00 O ATOM 300 CB ILE A 23 -2.525 -6.221 -8.866 1.00 0.00 C ATOM 301 CG1 ILE A 23 -2.555 -6.499 -7.362 1.00 0.00 C ATOM 302 CG2 ILE A 23 -1.713 -4.969 -9.164 1.00 0.00 C ATOM 303 CD1 ILE A 23 -1.226 -6.959 -6.806 1.00 0.00 C ATOM 0 H ILE A 23 -4.421 -7.883 -8.462 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.328 -5.076 -9.170 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.048 -7.067 -9.362 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.864 -5.594 -6.840 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.308 -7.259 -7.156 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.703 -5.089 -8.772 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.668 -4.812 -10.242 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.186 -4.108 -8.692 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.322 -7.137 -5.735 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.924 -7.882 -7.302 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.473 -6.190 -6.980 1.00 0.00 H new ATOM 315 N ALA A 24 -3.710 -5.149 -11.641 1.00 0.00 N ATOM 316 CA ALA A 24 -3.658 -5.181 -13.097 1.00 0.00 C ATOM 317 C ALA A 24 -2.221 -5.304 -13.593 1.00 0.00 C ATOM 318 O ALA A 24 -1.957 -5.194 -14.789 1.00 0.00 O ATOM 319 CB ALA A 24 -4.314 -3.937 -13.676 1.00 0.00 C ATOM 0 H ALA A 24 -3.562 -4.225 -11.234 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.208 -6.059 -13.436 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.268 -3.974 -14.764 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.356 -3.894 -13.358 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.789 -3.050 -13.321 1.00 0.00 H new ATOM 325 N GLN A 25 -1.297 -5.531 -12.665 1.00 0.00 N ATOM 326 CA GLN A 25 0.113 -5.667 -13.008 1.00 0.00 C ATOM 327 C GLN A 25 0.516 -7.135 -13.087 1.00 0.00 C ATOM 328 O GLN A 25 0.900 -7.629 -14.148 1.00 0.00 O ATOM 329 CB GLN A 25 0.983 -4.941 -11.979 1.00 0.00 C ATOM 330 CG GLN A 25 1.240 -3.483 -12.322 1.00 0.00 C ATOM 331 CD GLN A 25 2.386 -3.306 -13.298 1.00 0.00 C ATOM 332 OE1 GLN A 25 2.751 -4.235 -14.019 1.00 0.00 O ATOM 333 NE2 GLN A 25 2.962 -2.109 -13.326 1.00 0.00 N ATOM 0 H GLN A 25 -1.500 -5.625 -11.670 1.00 0.00 H new ATOM 0 HA GLN A 25 0.267 -5.214 -13.988 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.500 -4.997 -11.003 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.938 -5.459 -11.892 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.335 -3.049 -12.748 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.458 -2.932 -11.407 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.627 -1.367 -12.711 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.739 -1.932 -13.963 1.00 0.00 H new ATOM 342 N CYS A 26 0.426 -7.830 -11.957 1.00 0.00 N ATOM 343 CA CYS A 26 0.782 -9.242 -11.896 1.00 0.00 C ATOM 344 C CYS A 26 -0.468 -10.115 -11.830 1.00 0.00 C ATOM 345 O CYS A 26 -0.382 -11.342 -11.868 1.00 0.00 O ATOM 346 CB CYS A 26 1.673 -9.513 -10.683 1.00 0.00 C ATOM 347 SG CYS A 26 1.019 -8.850 -9.117 1.00 0.00 S ATOM 0 H CYS A 26 0.109 -7.437 -11.071 1.00 0.00 H new ATOM 0 HA CYS A 26 1.331 -9.493 -12.804 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.811 -10.589 -10.580 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.657 -9.082 -10.865 1.00 0.00 H new ATOM 352 N GLN A 27 -1.627 -9.472 -11.729 1.00 0.00 N ATOM 353 CA GLN A 27 -2.894 -10.191 -11.656 1.00 0.00 C ATOM 354 C GLN A 27 -2.989 -10.997 -10.365 1.00 0.00 C ATOM 355 O GLN A 27 -3.308 -12.186 -10.385 1.00 0.00 O ATOM 356 CB GLN A 27 -3.049 -11.117 -12.863 1.00 0.00 C ATOM 357 CG GLN A 27 -2.943 -10.401 -14.199 1.00 0.00 C ATOM 358 CD GLN A 27 -3.386 -8.953 -14.121 1.00 0.00 C ATOM 359 OE1 GLN A 27 -2.790 -8.146 -13.406 1.00 0.00 O ATOM 360 NE2 GLN A 27 -4.438 -8.616 -14.858 1.00 0.00 N ATOM 0 H GLN A 27 -1.715 -8.456 -11.696 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.700 -9.458 -11.664 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.285 -11.893 -12.815 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.016 -11.617 -12.804 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.912 -10.443 -14.549 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.551 -10.924 -14.937 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.901 -9.317 -15.436 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.783 -7.656 -14.846 1.00 0.00 H new ATOM 369 N CYS A 28 -2.710 -10.342 -9.243 1.00 0.00 N ATOM 370 CA CYS A 28 -2.763 -10.997 -7.942 1.00 0.00 C ATOM 371 C CYS A 28 -3.938 -10.477 -7.118 1.00 0.00 C ATOM 372 O CYS A 28 -4.118 -9.268 -6.971 1.00 0.00 O ATOM 373 CB CYS A 28 -1.455 -10.775 -7.181 1.00 0.00 C ATOM 374 SG CYS A 28 -0.027 -11.660 -7.883 1.00 0.00 S ATOM 0 H CYS A 28 -2.445 -9.358 -9.209 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.902 -12.065 -8.107 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.234 -9.708 -7.163 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.591 -11.090 -6.146 1.00 0.00 H new ATOM 379 N ILE A 29 -4.734 -11.398 -6.585 1.00 0.00 N ATOM 380 CA ILE A 29 -5.889 -11.032 -5.776 1.00 0.00 C ATOM 381 C ILE A 29 -5.556 -11.078 -4.289 1.00 0.00 C ATOM 382 O ILE A 29 -4.826 -11.958 -3.831 1.00 0.00 O ATOM 383 CB ILE A 29 -7.086 -11.962 -6.051 1.00 0.00 C ATOM 384 CG1 ILE A 29 -8.349 -11.415 -5.383 1.00 0.00 C ATOM 385 CG2 ILE A 29 -6.787 -13.369 -5.556 1.00 0.00 C ATOM 386 CD1 ILE A 29 -9.625 -12.041 -5.900 1.00 0.00 C ATOM 0 H ILE A 29 -4.600 -12.403 -6.699 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.159 -10.013 -6.054 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.255 -12.004 -7.127 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.282 -11.581 -4.308 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.394 -10.337 -5.537 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.642 -14.015 -5.757 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.909 -13.758 -6.072 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.595 -13.344 -4.483 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.480 -11.606 -5.382 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.715 -11.853 -6.970 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.601 -13.116 -5.721 1.00 0.00 H new ATOM 398 N PHE A 30 -6.095 -10.124 -3.537 1.00 0.00 N ATOM 399 CA PHE A 30 -5.857 -10.055 -2.100 1.00 0.00 C ATOM 400 C PHE A 30 -7.021 -9.374 -1.387 1.00 0.00 C ATOM 401 O PHE A 30 -7.651 -8.466 -1.929 1.00 0.00 O ATOM 402 CB PHE A 30 -4.557 -9.299 -1.814 1.00 0.00 C ATOM 403 CG PHE A 30 -3.339 -9.962 -2.391 1.00 0.00 C ATOM 404 CD1 PHE A 30 -2.940 -11.214 -1.952 1.00 0.00 C ATOM 405 CD2 PHE A 30 -2.593 -9.332 -3.375 1.00 0.00 C ATOM 406 CE1 PHE A 30 -1.820 -11.826 -2.482 1.00 0.00 C ATOM 407 CE2 PHE A 30 -1.471 -9.940 -3.909 1.00 0.00 C ATOM 408 CZ PHE A 30 -1.084 -11.188 -3.461 1.00 0.00 C ATOM 0 H PHE A 30 -6.700 -9.387 -3.899 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.769 -11.074 -1.722 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.637 -8.289 -2.217 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.432 -9.202 -0.736 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.511 -11.718 -1.186 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.891 -8.356 -3.729 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.521 -12.802 -2.131 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.898 -9.439 -4.676 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.208 -11.664 -3.876 1.00 0.00 H new ATOM 418 N CYS A 31 -7.303 -9.821 -0.167 1.00 0.00 N ATOM 419 CA CYS A 31 -8.392 -9.258 0.622 1.00 0.00 C ATOM 420 C CYS A 31 -8.040 -7.855 1.109 1.00 0.00 C ATOM 421 O CYS A 31 -7.002 -7.646 1.738 1.00 0.00 O ATOM 422 CB CYS A 31 -8.705 -10.161 1.816 1.00 0.00 C ATOM 423 SG CYS A 31 -7.459 -10.099 3.143 1.00 0.00 S ATOM 0 H CYS A 31 -6.792 -10.572 0.296 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.274 -9.193 -0.015 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -9.673 -9.877 2.228 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.796 -11.189 1.466 1.00 0.00 H new ATOM 428 N THR A 32 -8.913 -6.896 0.815 1.00 0.00 N ATOM 429 CA THR A 32 -8.697 -5.515 1.223 1.00 0.00 C ATOM 430 C THR A 32 -7.940 -5.443 2.544 1.00 0.00 C ATOM 431 O THR A 32 -6.970 -4.694 2.676 1.00 0.00 O ATOM 432 CB THR A 32 -10.029 -4.754 1.366 1.00 0.00 C ATOM 433 OG1 THR A 32 -10.827 -4.938 0.191 1.00 0.00 O ATOM 434 CG2 THR A 32 -9.784 -3.271 1.592 1.00 0.00 C ATOM 0 H THR A 32 -9.777 -7.052 0.295 1.00 0.00 H new ATOM 0 HA THR A 32 -8.102 -5.045 0.440 1.00 0.00 H new ATOM 0 HB THR A 32 -10.559 -5.154 2.231 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.673 -4.453 0.291 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.739 -2.755 1.690 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.202 -3.133 2.503 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.235 -2.860 0.745 1.00 0.00 H new ATOM 442 N LEU A 33 -8.386 -6.226 3.520 1.00 0.00 N ATOM 443 CA LEU A 33 -7.749 -6.252 4.832 1.00 0.00 C ATOM 444 C LEU A 33 -6.230 -6.296 4.700 1.00 0.00 C ATOM 445 O LEU A 33 -5.540 -5.332 5.028 1.00 0.00 O ATOM 446 CB LEU A 33 -8.238 -7.460 5.634 1.00 0.00 C ATOM 447 CG LEU A 33 -9.488 -7.238 6.486 1.00 0.00 C ATOM 448 CD1 LEU A 33 -10.744 -7.509 5.673 1.00 0.00 C ATOM 449 CD2 LEU A 33 -9.452 -8.121 7.726 1.00 0.00 C ATOM 0 H LEU A 33 -9.186 -6.851 3.428 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.023 -5.338 5.359 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.436 -8.276 4.939 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.430 -7.788 6.288 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.505 -6.196 6.806 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.623 -7.346 6.296 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.776 -6.835 4.817 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.735 -8.541 5.322 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.349 -7.950 8.321 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.410 -9.168 7.426 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.571 -7.878 8.320 1.00 0.00 H new ATOM 461 N CYS A 34 -5.717 -7.422 4.215 1.00 0.00 N ATOM 462 CA CYS A 34 -4.280 -7.592 4.036 1.00 0.00 C ATOM 463 C CYS A 34 -3.686 -6.424 3.254 1.00 0.00 C ATOM 464 O CYS A 34 -2.913 -5.630 3.793 1.00 0.00 O ATOM 465 CB CYS A 34 -3.987 -8.907 3.311 1.00 0.00 C ATOM 466 SG CYS A 34 -4.307 -10.395 4.311 1.00 0.00 S ATOM 0 H CYS A 34 -6.275 -8.230 3.939 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.818 -7.618 5.023 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.593 -8.953 2.406 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -2.943 -8.911 2.996 1.00 0.00 H new ATOM 471 N LEU A 35 -4.053 -6.325 1.982 1.00 0.00 N ATOM 472 CA LEU A 35 -3.558 -5.254 1.124 1.00 0.00 C ATOM 473 C LEU A 35 -3.483 -3.936 1.888 1.00 0.00 C ATOM 474 O LEU A 35 -2.517 -3.183 1.755 1.00 0.00 O ATOM 475 CB LEU A 35 -4.459 -5.095 -0.102 1.00 0.00 C ATOM 476 CG LEU A 35 -4.079 -5.927 -1.327 1.00 0.00 C ATOM 477 CD1 LEU A 35 -5.236 -5.986 -2.312 1.00 0.00 C ATOM 478 CD2 LEU A 35 -2.837 -5.354 -1.995 1.00 0.00 C ATOM 0 H LEU A 35 -4.692 -6.973 1.521 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.554 -5.521 0.795 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.478 -5.353 0.185 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.465 -4.044 -0.390 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.856 -6.942 -0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.947 -6.582 -3.177 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.101 -6.441 -1.830 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.490 -4.977 -2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.580 -5.958 -2.865 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.033 -4.329 -2.310 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.007 -5.364 -1.289 1.00 0.00 H new ATOM 490 N LYS A 36 -4.506 -3.663 2.689 1.00 0.00 N ATOM 491 CA LYS A 36 -4.556 -2.438 3.478 1.00 0.00 C ATOM 492 C LYS A 36 -3.376 -2.362 4.441 1.00 0.00 C ATOM 493 O LYS A 36 -2.624 -1.388 4.441 1.00 0.00 O ATOM 494 CB LYS A 36 -5.871 -2.362 4.258 1.00 0.00 C ATOM 495 CG LYS A 36 -6.135 -0.999 4.874 1.00 0.00 C ATOM 496 CD LYS A 36 -7.050 -1.101 6.083 1.00 0.00 C ATOM 497 CE LYS A 36 -7.153 0.227 6.817 1.00 0.00 C ATOM 498 NZ LYS A 36 -7.523 0.042 8.247 1.00 0.00 N ATOM 0 H LYS A 36 -5.313 -4.275 2.809 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.498 -1.592 2.793 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.695 -2.615 3.591 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.859 -3.112 5.048 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.190 -0.543 5.169 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.586 -0.343 4.129 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.042 -1.420 5.764 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.673 -1.865 6.763 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.200 0.752 6.753 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.897 0.856 6.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.583 0.970 8.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.444 -0.437 8.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.800 -0.537 8.721 1.00 0.00 H new ATOM 512 N GLN A 37 -3.220 -3.397 5.260 1.00 0.00 N ATOM 513 CA GLN A 37 -2.130 -3.447 6.227 1.00 0.00 C ATOM 514 C GLN A 37 -0.779 -3.509 5.523 1.00 0.00 C ATOM 515 O GLN A 37 0.232 -3.050 6.056 1.00 0.00 O ATOM 516 CB GLN A 37 -2.294 -4.657 7.149 1.00 0.00 C ATOM 517 CG GLN A 37 -3.225 -4.406 8.324 1.00 0.00 C ATOM 518 CD GLN A 37 -4.618 -3.997 7.886 1.00 0.00 C ATOM 519 OE1 GLN A 37 -4.850 -2.849 7.509 1.00 0.00 O ATOM 520 NE2 GLN A 37 -5.554 -4.937 7.937 1.00 0.00 N ATOM 0 H GLN A 37 -3.834 -4.211 5.273 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.166 -2.536 6.824 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.675 -5.497 6.568 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.315 -4.949 7.528 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.289 -5.309 8.931 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.803 -3.625 8.957 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.317 -5.876 8.256 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.510 -4.720 7.657 1.00 0.00 H new ATOM 529 N TYR A 38 -0.768 -4.080 4.324 1.00 0.00 N ATOM 530 CA TYR A 38 0.459 -4.204 3.548 1.00 0.00 C ATOM 531 C TYR A 38 0.938 -2.839 3.062 1.00 0.00 C ATOM 532 O TYR A 38 2.048 -2.410 3.375 1.00 0.00 O ATOM 533 CB TYR A 38 0.240 -5.135 2.353 1.00 0.00 C ATOM 534 CG TYR A 38 1.440 -5.237 1.439 1.00 0.00 C ATOM 535 CD1 TYR A 38 2.580 -5.927 1.829 1.00 0.00 C ATOM 536 CD2 TYR A 38 1.433 -4.643 0.182 1.00 0.00 C ATOM 537 CE1 TYR A 38 3.679 -6.023 0.996 1.00 0.00 C ATOM 538 CE2 TYR A 38 2.526 -4.735 -0.658 1.00 0.00 C ATOM 539 CZ TYR A 38 3.646 -5.425 -0.246 1.00 0.00 C ATOM 540 OH TYR A 38 4.737 -5.518 -1.079 1.00 0.00 O ATOM 0 H TYR A 38 -1.596 -4.464 3.868 1.00 0.00 H new ATOM 0 HA TYR A 38 1.226 -4.628 4.196 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.013 -6.130 2.719 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.615 -4.780 1.778 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.609 -6.397 2.801 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.558 -4.100 -0.143 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.558 -6.563 1.316 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.503 -4.269 -1.632 1.00 0.00 H new ATOM 0 HH TYR A 38 4.712 -4.789 -1.733 1.00 0.00 H new ATOM 550 N VAL A 39 0.090 -2.161 2.295 1.00 0.00 N ATOM 551 CA VAL A 39 0.424 -0.844 1.767 1.00 0.00 C ATOM 552 C VAL A 39 0.589 0.173 2.891 1.00 0.00 C ATOM 553 O VAL A 39 1.285 1.176 2.736 1.00 0.00 O ATOM 554 CB VAL A 39 -0.656 -0.341 0.790 1.00 0.00 C ATOM 555 CG1 VAL A 39 -0.907 -1.369 -0.303 1.00 0.00 C ATOM 556 CG2 VAL A 39 -1.942 -0.019 1.537 1.00 0.00 C ATOM 0 H VAL A 39 -0.833 -2.502 2.026 1.00 0.00 H new ATOM 0 HA VAL A 39 1.368 -0.947 1.232 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.298 0.575 0.319 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.673 -0.997 -0.984 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.016 -1.545 -0.856 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.244 -2.303 0.146 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.694 0.335 0.831 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.307 -0.916 2.037 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.748 0.756 2.279 1.00 0.00 H new ATOM 566 N GLU A 40 -0.057 -0.092 4.022 1.00 0.00 N ATOM 567 CA GLU A 40 0.020 0.801 5.172 1.00 0.00 C ATOM 568 C GLU A 40 1.352 0.639 5.900 1.00 0.00 C ATOM 569 O GLU A 40 2.118 1.593 6.035 1.00 0.00 O ATOM 570 CB GLU A 40 -1.137 0.527 6.137 1.00 0.00 C ATOM 571 CG GLU A 40 -2.363 1.385 5.875 1.00 0.00 C ATOM 572 CD GLU A 40 -3.283 1.469 7.077 1.00 0.00 C ATOM 573 OE1 GLU A 40 -3.487 0.431 7.741 1.00 0.00 O ATOM 574 OE2 GLU A 40 -3.799 2.573 7.354 1.00 0.00 O ATOM 0 H GLU A 40 -0.639 -0.917 4.166 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.053 1.826 4.808 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.417 -0.524 6.066 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.796 0.698 7.158 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.046 2.389 5.594 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.914 0.976 5.028 1.00 0.00 H new ATOM 581 N LEU A 41 1.620 -0.576 6.366 1.00 0.00 N ATOM 582 CA LEU A 41 2.859 -0.864 7.081 1.00 0.00 C ATOM 583 C LEU A 41 4.069 -0.371 6.294 1.00 0.00 C ATOM 584 O LEU A 41 5.023 0.157 6.867 1.00 0.00 O ATOM 585 CB LEU A 41 2.982 -2.367 7.342 1.00 0.00 C ATOM 586 CG LEU A 41 2.431 -2.863 8.680 1.00 0.00 C ATOM 587 CD1 LEU A 41 3.298 -2.374 9.829 1.00 0.00 C ATOM 588 CD2 LEU A 41 0.990 -2.409 8.865 1.00 0.00 C ATOM 0 H LEU A 41 0.997 -1.377 6.262 1.00 0.00 H new ATOM 0 HA LEU A 41 2.831 -0.337 8.035 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.468 -2.898 6.541 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.035 -2.641 7.281 1.00 0.00 H new ATOM 0 HG LEU A 41 2.450 -3.953 8.677 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.890 -2.737 10.772 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.313 -2.750 9.704 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.313 -1.284 9.835 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.615 -2.771 9.822 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.946 -1.320 8.846 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.376 -2.810 8.059 1.00 0.00 H new ATOM 600 N LEU A 42 4.023 -0.547 4.978 1.00 0.00 N ATOM 601 CA LEU A 42 5.115 -0.118 4.111 1.00 0.00 C ATOM 602 C LEU A 42 5.234 1.401 4.098 1.00 0.00 C ATOM 603 O LEU A 42 6.287 1.954 4.420 1.00 0.00 O ATOM 604 CB LEU A 42 4.895 -0.637 2.688 1.00 0.00 C ATOM 605 CG LEU A 42 5.473 -2.019 2.381 1.00 0.00 C ATOM 606 CD1 LEU A 42 4.998 -2.507 1.022 1.00 0.00 C ATOM 607 CD2 LEU A 42 6.993 -1.986 2.436 1.00 0.00 C ATOM 0 H LEU A 42 3.242 -0.983 4.488 1.00 0.00 H new ATOM 0 HA LEU A 42 6.044 -0.533 4.503 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.823 -0.662 2.494 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.329 0.079 1.990 1.00 0.00 H new ATOM 0 HG LEU A 42 5.117 -2.716 3.139 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.420 -3.492 0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.910 -2.571 1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.323 -1.809 0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.387 -2.978 2.215 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.368 -1.274 1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.315 -1.682 3.432 1.00 0.00 H new ATOM 619 N ILE A 43 4.150 2.073 3.726 1.00 0.00 N ATOM 620 CA ILE A 43 4.133 3.529 3.674 1.00 0.00 C ATOM 621 C ILE A 43 4.521 4.131 5.020 1.00 0.00 C ATOM 622 O ILE A 43 5.467 4.915 5.113 1.00 0.00 O ATOM 623 CB ILE A 43 2.747 4.062 3.266 1.00 0.00 C ATOM 624 CG1 ILE A 43 2.358 3.531 1.885 1.00 0.00 C ATOM 625 CG2 ILE A 43 2.741 5.583 3.276 1.00 0.00 C ATOM 626 CD1 ILE A 43 0.865 3.501 1.647 1.00 0.00 C ATOM 0 H ILE A 43 3.271 1.631 3.456 1.00 0.00 H new ATOM 0 HA ILE A 43 4.863 3.827 2.921 1.00 0.00 H new ATOM 0 HB ILE A 43 2.011 3.710 3.989 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.827 4.151 1.121 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.757 2.523 1.767 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.755 5.945 2.986 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.978 5.941 4.278 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.486 5.954 2.572 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.663 3.114 0.648 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.391 2.857 2.388 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.463 4.510 1.733 1.00 0.00 H new ATOM 638 N LYS A 44 3.786 3.759 6.062 1.00 0.00 N ATOM 639 CA LYS A 44 4.055 4.259 7.405 1.00 0.00 C ATOM 640 C LYS A 44 5.554 4.326 7.672 1.00 0.00 C ATOM 641 O LYS A 44 6.048 5.290 8.255 1.00 0.00 O ATOM 642 CB LYS A 44 3.379 3.367 8.449 1.00 0.00 C ATOM 643 CG LYS A 44 1.874 3.554 8.527 1.00 0.00 C ATOM 644 CD LYS A 44 1.329 3.129 9.881 1.00 0.00 C ATOM 645 CE LYS A 44 1.195 1.616 9.977 1.00 0.00 C ATOM 646 NZ LYS A 44 1.037 1.163 11.387 1.00 0.00 N ATOM 0 H LYS A 44 2.999 3.113 6.002 1.00 0.00 H new ATOM 0 HA LYS A 44 3.646 5.267 7.478 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.595 2.324 8.218 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.813 3.574 9.427 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.626 4.600 8.346 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.393 2.972 7.741 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.990 3.488 10.670 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.356 3.593 10.045 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.335 1.289 9.392 1.00 0.00 H new ATOM 0 HE3 LYS A 44 2.075 1.145 9.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.949 0.127 11.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.869 1.453 11.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.183 1.593 11.796 1.00 0.00 H new ATOM 660 N GLU A 45 6.275 3.295 7.239 1.00 0.00 N ATOM 661 CA GLU A 45 7.718 3.239 7.431 1.00 0.00 C ATOM 662 C GLU A 45 8.388 4.503 6.903 1.00 0.00 C ATOM 663 O GLU A 45 9.045 5.229 7.648 1.00 0.00 O ATOM 664 CB GLU A 45 8.301 2.009 6.731 1.00 0.00 C ATOM 665 CG GLU A 45 9.798 1.844 6.934 1.00 0.00 C ATOM 666 CD GLU A 45 10.250 0.404 6.796 1.00 0.00 C ATOM 667 OE1 GLU A 45 10.362 -0.075 5.648 1.00 0.00 O ATOM 668 OE2 GLU A 45 10.493 -0.245 7.835 1.00 0.00 O ATOM 0 H GLU A 45 5.882 2.489 6.753 1.00 0.00 H new ATOM 0 HA GLU A 45 7.913 3.166 8.501 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.793 1.118 7.099 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.093 2.077 5.663 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.329 2.459 6.207 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.070 2.213 7.923 1.00 0.00 H new ATOM 675 N GLY A 46 8.216 4.761 5.609 1.00 0.00 N ATOM 676 CA GLY A 46 8.810 5.938 5.001 1.00 0.00 C ATOM 677 C GLY A 46 10.000 5.600 4.126 1.00 0.00 C ATOM 678 O GLY A 46 10.085 6.049 2.981 1.00 0.00 O ATOM 0 H GLY A 46 7.676 4.176 4.971 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.058 6.453 4.403 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.123 6.629 5.784 1.00 0.00 H new ATOM 682 N LEU A 47 10.921 4.809 4.662 1.00 0.00 N ATOM 683 CA LEU A 47 12.114 4.412 3.921 1.00 0.00 C ATOM 684 C LEU A 47 11.769 4.077 2.474 1.00 0.00 C ATOM 685 O LEU A 47 12.256 4.721 1.544 1.00 0.00 O ATOM 686 CB LEU A 47 12.778 3.208 4.591 1.00 0.00 C ATOM 687 CG LEU A 47 14.101 2.745 3.981 1.00 0.00 C ATOM 688 CD1 LEU A 47 14.996 2.133 5.047 1.00 0.00 C ATOM 689 CD2 LEU A 47 13.850 1.749 2.857 1.00 0.00 C ATOM 0 H LEU A 47 10.866 4.429 5.607 1.00 0.00 H new ATOM 0 HA LEU A 47 12.810 5.251 3.925 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.950 3.450 5.640 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.078 2.373 4.567 1.00 0.00 H new ATOM 0 HG LEU A 47 14.610 3.614 3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.933 1.809 4.594 1.00 0.00 H new ATOM 0 HD12 LEU A 47 15.203 2.875 5.818 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.494 1.275 5.495 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.803 1.430 2.434 1.00 0.00 H new ATOM 0 HD22 LEU A 47 13.319 0.882 3.251 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.248 2.221 2.080 1.00 0.00 H new ATOM 701 N GLU A 48 10.926 3.065 2.290 1.00 0.00 N ATOM 702 CA GLU A 48 10.515 2.646 0.955 1.00 0.00 C ATOM 703 C GLU A 48 9.447 3.582 0.396 1.00 0.00 C ATOM 704 O GLU A 48 8.612 4.102 1.135 1.00 0.00 O ATOM 705 CB GLU A 48 9.986 1.211 0.987 1.00 0.00 C ATOM 706 CG GLU A 48 10.239 0.440 -0.297 1.00 0.00 C ATOM 707 CD GLU A 48 9.448 -0.852 -0.367 1.00 0.00 C ATOM 708 OE1 GLU A 48 8.207 -0.798 -0.229 1.00 0.00 O ATOM 709 OE2 GLU A 48 10.069 -1.918 -0.560 1.00 0.00 O ATOM 0 H GLU A 48 10.515 2.521 3.048 1.00 0.00 H new ATOM 0 HA GLU A 48 11.388 2.689 0.304 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.451 0.680 1.817 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.914 1.232 1.183 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.980 1.067 -1.150 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.303 0.215 -0.378 1.00 0.00 H new ATOM 716 N THR A 49 9.483 3.792 -0.917 1.00 0.00 N ATOM 717 CA THR A 49 8.521 4.665 -1.577 1.00 0.00 C ATOM 718 C THR A 49 7.536 3.862 -2.418 1.00 0.00 C ATOM 719 O THR A 49 6.335 4.136 -2.416 1.00 0.00 O ATOM 720 CB THR A 49 9.225 5.697 -2.478 1.00 0.00 C ATOM 721 OG1 THR A 49 9.998 5.026 -3.480 1.00 0.00 O ATOM 722 CG2 THR A 49 10.128 6.606 -1.657 1.00 0.00 C ATOM 0 H THR A 49 10.168 3.369 -1.543 1.00 0.00 H new ATOM 0 HA THR A 49 7.979 5.190 -0.790 1.00 0.00 H new ATOM 0 HB THR A 49 8.461 6.308 -2.958 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.441 5.689 -4.050 1.00 0.00 H new ATOM 0 HG21 THR A 49 10.614 7.326 -2.315 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.532 7.137 -0.915 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.886 6.007 -1.152 1.00 0.00 H new ATOM 730 N ALA A 50 8.049 2.869 -3.135 1.00 0.00 N ATOM 731 CA ALA A 50 7.213 2.023 -3.978 1.00 0.00 C ATOM 732 C ALA A 50 6.597 0.883 -3.174 1.00 0.00 C ATOM 733 O ALA A 50 7.151 0.456 -2.162 1.00 0.00 O ATOM 734 CB ALA A 50 8.023 1.473 -5.142 1.00 0.00 C ATOM 0 H ALA A 50 9.040 2.630 -3.149 1.00 0.00 H new ATOM 0 HA ALA A 50 6.401 2.635 -4.371 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.386 0.843 -5.763 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.409 2.299 -5.739 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.855 0.882 -4.759 1.00 0.00 H new ATOM 740 N ILE A 51 5.448 0.397 -3.631 1.00 0.00 N ATOM 741 CA ILE A 51 4.757 -0.693 -2.953 1.00 0.00 C ATOM 742 C ILE A 51 4.698 -1.937 -3.833 1.00 0.00 C ATOM 743 O ILE A 51 3.727 -2.153 -4.556 1.00 0.00 O ATOM 744 CB ILE A 51 3.324 -0.291 -2.555 1.00 0.00 C ATOM 745 CG1 ILE A 51 3.335 1.040 -1.799 1.00 0.00 C ATOM 746 CG2 ILE A 51 2.683 -1.382 -1.710 1.00 0.00 C ATOM 747 CD1 ILE A 51 4.025 0.963 -0.455 1.00 0.00 C ATOM 0 H ILE A 51 4.976 0.741 -4.467 1.00 0.00 H new ATOM 0 HA ILE A 51 5.327 -0.915 -2.051 1.00 0.00 H new ATOM 0 HB ILE A 51 2.732 -0.167 -3.462 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.832 1.793 -2.411 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.308 1.375 -1.653 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.671 -1.083 -1.437 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.646 -2.310 -2.281 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.272 -1.536 -0.806 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.996 1.941 0.026 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.515 0.234 0.175 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.062 0.659 -0.595 1.00 0.00 H new ATOM 759 N SER A 52 5.744 -2.755 -3.762 1.00 0.00 N ATOM 760 CA SER A 52 5.813 -3.977 -4.553 1.00 0.00 C ATOM 761 C SER A 52 4.682 -4.931 -4.180 1.00 0.00 C ATOM 762 O SER A 52 3.861 -4.629 -3.312 1.00 0.00 O ATOM 763 CB SER A 52 7.164 -4.666 -4.350 1.00 0.00 C ATOM 764 OG SER A 52 8.223 -3.871 -4.853 1.00 0.00 O ATOM 0 H SER A 52 6.555 -2.593 -3.165 1.00 0.00 H new ATOM 0 HA SER A 52 5.705 -3.706 -5.603 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.322 -4.858 -3.289 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.161 -5.633 -4.852 1.00 0.00 H new ATOM 0 HG SER A 52 9.075 -4.333 -4.710 1.00 0.00 H new ATOM 770 N CYS A 53 4.643 -6.082 -4.842 1.00 0.00 N ATOM 771 CA CYS A 53 3.614 -7.080 -4.583 1.00 0.00 C ATOM 772 C CYS A 53 3.839 -7.755 -3.233 1.00 0.00 C ATOM 773 O CYS A 53 4.956 -8.131 -2.878 1.00 0.00 O ATOM 774 CB CYS A 53 3.600 -8.130 -5.695 1.00 0.00 C ATOM 775 SG CYS A 53 2.262 -9.358 -5.542 1.00 0.00 S ATOM 0 H CYS A 53 5.314 -6.347 -5.563 1.00 0.00 H new ATOM 0 HA CYS A 53 2.649 -6.573 -4.560 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.506 -7.625 -6.656 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.558 -8.651 -5.700 1.00 0.00 H new ATOM 780 N PRO A 54 2.753 -7.913 -2.462 1.00 0.00 N ATOM 781 CA PRO A 54 2.806 -8.544 -1.140 1.00 0.00 C ATOM 782 C PRO A 54 3.085 -10.041 -1.223 1.00 0.00 C ATOM 783 O PRO A 54 3.364 -10.687 -0.212 1.00 0.00 O ATOM 784 CB PRO A 54 1.407 -8.293 -0.570 1.00 0.00 C ATOM 785 CG PRO A 54 0.534 -8.135 -1.767 1.00 0.00 C ATOM 786 CD PRO A 54 1.390 -7.489 -2.822 1.00 0.00 C ATOM 0 HA PRO A 54 3.611 -8.138 -0.527 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.078 -9.125 0.053 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.388 -7.400 0.055 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.159 -9.100 -2.106 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.335 -7.518 -1.538 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.116 -7.824 -3.822 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.291 -6.404 -2.811 1.00 0.00 H new ATOM 794 N ASP A 55 3.010 -10.586 -2.431 1.00 0.00 N ATOM 795 CA ASP A 55 3.257 -12.008 -2.646 1.00 0.00 C ATOM 796 C ASP A 55 4.744 -12.324 -2.530 1.00 0.00 C ATOM 797 O ASP A 55 5.592 -11.466 -2.772 1.00 0.00 O ATOM 798 CB ASP A 55 2.737 -12.436 -4.019 1.00 0.00 C ATOM 799 CG ASP A 55 3.017 -13.895 -4.315 1.00 0.00 C ATOM 800 OD1 ASP A 55 3.038 -14.702 -3.361 1.00 0.00 O ATOM 801 OD2 ASP A 55 3.216 -14.233 -5.500 1.00 0.00 O ATOM 0 H ASP A 55 2.780 -10.065 -3.277 1.00 0.00 H new ATOM 0 HA ASP A 55 2.724 -12.565 -1.875 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.663 -12.258 -4.069 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.199 -11.817 -4.788 1.00 0.00 H new ATOM 806 N ALA A 56 5.054 -13.562 -2.157 1.00 0.00 N ATOM 807 CA ALA A 56 6.438 -13.992 -2.009 1.00 0.00 C ATOM 808 C ALA A 56 6.891 -14.808 -3.216 1.00 0.00 C ATOM 809 O ALA A 56 8.084 -14.890 -3.510 1.00 0.00 O ATOM 810 CB ALA A 56 6.607 -14.799 -0.731 1.00 0.00 C ATOM 0 H ALA A 56 4.364 -14.285 -1.952 1.00 0.00 H new ATOM 0 HA ALA A 56 7.064 -13.102 -1.948 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.646 -15.113 -0.634 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.332 -14.185 0.126 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.964 -15.678 -0.768 1.00 0.00 H new ATOM 816 N ALA A 57 5.932 -15.409 -3.912 1.00 0.00 N ATOM 817 CA ALA A 57 6.233 -16.216 -5.088 1.00 0.00 C ATOM 818 C ALA A 57 5.656 -15.584 -6.350 1.00 0.00 C ATOM 819 O ALA A 57 4.988 -16.251 -7.142 1.00 0.00 O ATOM 820 CB ALA A 57 5.695 -17.628 -4.910 1.00 0.00 C ATOM 0 H ALA A 57 4.940 -15.352 -3.682 1.00 0.00 H new ATOM 0 HA ALA A 57 7.316 -16.262 -5.199 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.927 -18.220 -5.795 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.158 -18.086 -4.036 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.615 -17.591 -4.771 1.00 0.00 H new ATOM 826 N CYS A 58 5.917 -14.293 -6.532 1.00 0.00 N ATOM 827 CA CYS A 58 5.423 -13.571 -7.698 1.00 0.00 C ATOM 828 C CYS A 58 6.540 -13.352 -8.715 1.00 0.00 C ATOM 829 O CYS A 58 7.387 -12.471 -8.565 1.00 0.00 O ATOM 830 CB CYS A 58 4.831 -12.224 -7.276 1.00 0.00 C ATOM 831 SG CYS A 58 3.838 -11.411 -8.568 1.00 0.00 S ATOM 0 H CYS A 58 6.468 -13.726 -5.887 1.00 0.00 H new ATOM 0 HA CYS A 58 4.643 -14.173 -8.165 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.208 -12.373 -6.394 1.00 0.00 H new ATOM 0 HB3 CYS A 58 5.643 -11.558 -6.984 1.00 0.00 H new ATOM 836 N PRO A 59 6.542 -14.171 -9.776 1.00 0.00 N ATOM 837 CA PRO A 59 7.547 -14.087 -10.841 1.00 0.00 C ATOM 838 C PRO A 59 7.390 -12.830 -11.689 1.00 0.00 C ATOM 839 O PRO A 59 8.271 -12.485 -12.477 1.00 0.00 O ATOM 840 CB PRO A 59 7.280 -15.337 -11.682 1.00 0.00 C ATOM 841 CG PRO A 59 5.846 -15.657 -11.439 1.00 0.00 C ATOM 842 CD PRO A 59 5.564 -15.244 -10.020 1.00 0.00 C ATOM 0 HA PRO A 59 8.560 -14.035 -10.441 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.471 -15.151 -12.739 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.926 -16.162 -11.382 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.203 -15.121 -12.137 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.654 -16.720 -11.581 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.540 -14.889 -9.901 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.697 -16.074 -9.326 1.00 0.00 H new ATOM 850 N LYS A 60 6.263 -12.146 -11.521 1.00 0.00 N ATOM 851 CA LYS A 60 5.989 -10.925 -12.270 1.00 0.00 C ATOM 852 C LYS A 60 6.458 -9.697 -11.497 1.00 0.00 C ATOM 853 O LYS A 60 6.959 -8.737 -12.084 1.00 0.00 O ATOM 854 CB LYS A 60 4.493 -10.812 -12.571 1.00 0.00 C ATOM 855 CG LYS A 60 4.187 -10.074 -13.863 1.00 0.00 C ATOM 856 CD LYS A 60 4.557 -8.603 -13.766 1.00 0.00 C ATOM 857 CE LYS A 60 3.928 -7.796 -14.892 1.00 0.00 C ATOM 858 NZ LYS A 60 3.969 -6.333 -14.614 1.00 0.00 N ATOM 0 H LYS A 60 5.524 -12.417 -10.872 1.00 0.00 H new ATOM 0 HA LYS A 60 6.539 -10.973 -13.210 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.065 -11.813 -12.624 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.002 -10.299 -11.744 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.735 -10.535 -14.685 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.126 -10.169 -14.095 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.229 -8.207 -12.805 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.641 -8.496 -13.802 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.452 -8.004 -15.825 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.894 -8.111 -15.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.004 -5.985 -14.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.557 -6.155 -13.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.375 -5.835 -15.432 1.00 0.00 H new ATOM 872 N GLN A 61 6.294 -9.734 -10.179 1.00 0.00 N ATOM 873 CA GLN A 61 6.702 -8.623 -9.327 1.00 0.00 C ATOM 874 C GLN A 61 5.962 -7.345 -9.708 1.00 0.00 C ATOM 875 O GLN A 61 6.577 -6.311 -9.960 1.00 0.00 O ATOM 876 CB GLN A 61 8.211 -8.402 -9.429 1.00 0.00 C ATOM 877 CG GLN A 61 9.033 -9.539 -8.844 1.00 0.00 C ATOM 878 CD GLN A 61 10.413 -9.093 -8.400 1.00 0.00 C ATOM 879 OE1 GLN A 61 10.719 -9.077 -7.208 1.00 0.00 O ATOM 880 NE2 GLN A 61 11.255 -8.728 -9.361 1.00 0.00 N ATOM 0 H GLN A 61 5.882 -10.521 -9.678 1.00 0.00 H new ATOM 0 HA GLN A 61 6.448 -8.875 -8.297 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.481 -8.271 -10.477 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.470 -7.476 -8.916 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.502 -9.966 -7.993 1.00 0.00 H new ATOM 0 HG3 GLN A 61 9.133 -10.330 -9.587 1.00 0.00 H new ATOM 0 HE21 GLN A 61 10.959 -8.757 -10.337 1.00 0.00 H new ATOM 0 HE22 GLN A 61 12.197 -8.419 -9.123 1.00 0.00 H new ATOM 889 N GLY A 62 4.634 -7.424 -9.748 1.00 0.00 N ATOM 890 CA GLY A 62 3.832 -6.268 -10.099 1.00 0.00 C ATOM 891 C GLY A 62 3.613 -5.335 -8.925 1.00 0.00 C ATOM 892 O GLY A 62 3.300 -5.780 -7.819 1.00 0.00 O ATOM 0 H GLY A 62 4.101 -8.269 -9.543 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.321 -5.722 -10.906 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.866 -6.602 -10.479 1.00 0.00 H new ATOM 896 N HIS A 63 3.779 -4.038 -9.161 1.00 0.00 N ATOM 897 CA HIS A 63 3.598 -3.040 -8.112 1.00 0.00 C ATOM 898 C HIS A 63 2.141 -2.595 -8.032 1.00 0.00 C ATOM 899 O HIS A 63 1.332 -2.921 -8.901 1.00 0.00 O ATOM 900 CB HIS A 63 4.500 -1.832 -8.368 1.00 0.00 C ATOM 901 CG HIS A 63 5.960 -2.136 -8.237 1.00 0.00 C ATOM 902 ND1 HIS A 63 6.717 -2.655 -9.266 1.00 0.00 N ATOM 903 CD2 HIS A 63 6.805 -1.989 -7.188 1.00 0.00 C ATOM 904 CE1 HIS A 63 7.962 -2.816 -8.857 1.00 0.00 C ATOM 905 NE2 HIS A 63 8.042 -2.419 -7.599 1.00 0.00 N ATOM 0 H HIS A 63 4.039 -3.653 -10.069 1.00 0.00 H new ATOM 0 HA HIS A 63 3.873 -3.494 -7.160 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.305 -1.450 -9.370 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.238 -1.039 -7.668 1.00 0.00 H new ATOM 0 HD2 HIS A 63 6.552 -1.605 -6.211 1.00 0.00 H new ATOM 0 HE1 HIS A 63 8.776 -3.206 -9.450 1.00 0.00 H new ATOM 0 HE2 HIS A 63 8.886 -2.430 -7.026 1.00 0.00 H new ATOM 913 N LEU A 64 1.813 -1.849 -6.983 1.00 0.00 N ATOM 914 CA LEU A 64 0.452 -1.359 -6.788 1.00 0.00 C ATOM 915 C LEU A 64 0.307 0.066 -7.310 1.00 0.00 C ATOM 916 O LEU A 64 1.063 0.958 -6.926 1.00 0.00 O ATOM 917 CB LEU A 64 0.078 -1.412 -5.306 1.00 0.00 C ATOM 918 CG LEU A 64 -0.478 -2.744 -4.801 1.00 0.00 C ATOM 919 CD1 LEU A 64 -1.758 -3.103 -5.539 1.00 0.00 C ATOM 920 CD2 LEU A 64 0.557 -3.848 -4.958 1.00 0.00 C ATOM 0 H LEU A 64 2.470 -1.570 -6.254 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.224 -2.003 -7.350 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.963 -1.165 -4.720 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.661 -0.635 -5.110 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.711 -2.639 -3.741 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.139 -4.054 -5.166 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.503 -2.324 -5.375 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.551 -3.188 -6.606 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.144 -4.789 -4.593 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.822 -3.952 -6.010 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.448 -3.596 -4.383 1.00 0.00 H new ATOM 932 N GLN A 65 -0.671 0.272 -8.187 1.00 0.00 N ATOM 933 CA GLN A 65 -0.915 1.591 -8.760 1.00 0.00 C ATOM 934 C GLN A 65 -1.424 2.560 -7.699 1.00 0.00 C ATOM 935 O GLN A 65 -1.954 2.145 -6.669 1.00 0.00 O ATOM 936 CB GLN A 65 -1.926 1.492 -9.905 1.00 0.00 C ATOM 937 CG GLN A 65 -1.361 0.853 -11.163 1.00 0.00 C ATOM 938 CD GLN A 65 -2.417 0.619 -12.224 1.00 0.00 C ATOM 939 OE1 GLN A 65 -3.231 1.498 -12.510 1.00 0.00 O ATOM 940 NE2 GLN A 65 -2.410 -0.569 -12.815 1.00 0.00 N ATOM 0 H GLN A 65 -1.306 -0.456 -8.516 1.00 0.00 H new ATOM 0 HA GLN A 65 0.029 1.972 -9.149 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.787 0.914 -9.569 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.288 2.491 -10.146 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -0.578 1.492 -11.570 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.894 -0.098 -10.905 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.717 -1.268 -12.547 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.097 -0.783 -13.537 1.00 0.00 H new ATOM 949 N GLU A 66 -1.258 3.853 -7.958 1.00 0.00 N ATOM 950 CA GLU A 66 -1.700 4.882 -7.023 1.00 0.00 C ATOM 951 C GLU A 66 -3.185 4.729 -6.708 1.00 0.00 C ATOM 952 O GLU A 66 -3.571 4.566 -5.551 1.00 0.00 O ATOM 953 CB GLU A 66 -1.431 6.274 -7.597 1.00 0.00 C ATOM 954 CG GLU A 66 -1.223 7.341 -6.535 1.00 0.00 C ATOM 955 CD GLU A 66 -0.801 8.674 -7.123 1.00 0.00 C ATOM 956 OE1 GLU A 66 -1.133 8.936 -8.298 1.00 0.00 O ATOM 957 OE2 GLU A 66 -0.139 9.454 -6.407 1.00 0.00 O ATOM 0 H GLU A 66 -0.821 4.213 -8.806 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.135 4.763 -6.098 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.548 6.230 -8.234 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.268 6.564 -8.232 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.147 7.473 -5.972 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.464 7.003 -5.829 1.00 0.00 H new ATOM 964 N ASN A 67 -4.014 4.783 -7.746 1.00 0.00 N ATOM 965 CA ASN A 67 -5.457 4.650 -7.579 1.00 0.00 C ATOM 966 C ASN A 67 -5.789 3.603 -6.520 1.00 0.00 C ATOM 967 O ASN A 67 -6.620 3.837 -5.643 1.00 0.00 O ATOM 968 CB ASN A 67 -6.111 4.272 -8.909 1.00 0.00 C ATOM 969 CG ASN A 67 -5.351 3.181 -9.638 1.00 0.00 C ATOM 970 OD1 ASN A 67 -4.327 3.439 -10.271 1.00 0.00 O ATOM 971 ND2 ASN A 67 -5.850 1.953 -9.553 1.00 0.00 N ATOM 0 H ASN A 67 -3.711 4.918 -8.711 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.850 5.611 -7.248 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.133 3.939 -8.727 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.172 5.155 -9.545 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.382 1.179 -10.023 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.701 1.784 -9.017 1.00 0.00 H new ATOM 978 N GLU A 68 -5.133 2.451 -6.608 1.00 0.00 N ATOM 979 CA GLU A 68 -5.359 1.369 -5.658 1.00 0.00 C ATOM 980 C GLU A 68 -5.085 1.833 -4.230 1.00 0.00 C ATOM 981 O GLU A 68 -5.975 1.818 -3.380 1.00 0.00 O ATOM 982 CB GLU A 68 -4.472 0.169 -5.996 1.00 0.00 C ATOM 983 CG GLU A 68 -4.807 -0.480 -7.328 1.00 0.00 C ATOM 984 CD GLU A 68 -5.863 -1.561 -7.201 1.00 0.00 C ATOM 985 OE1 GLU A 68 -6.917 -1.290 -6.589 1.00 0.00 O ATOM 986 OE2 GLU A 68 -5.635 -2.676 -7.714 1.00 0.00 O ATOM 0 H GLU A 68 -4.441 2.243 -7.328 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.405 1.069 -5.730 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.431 0.490 -6.010 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.565 -0.575 -5.205 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.156 0.284 -8.023 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.902 -0.910 -7.756 1.00 0.00 H new ATOM 993 N ILE A 69 -3.847 2.243 -3.976 1.00 0.00 N ATOM 994 CA ILE A 69 -3.454 2.712 -2.653 1.00 0.00 C ATOM 995 C ILE A 69 -4.380 3.822 -2.166 1.00 0.00 C ATOM 996 O ILE A 69 -4.940 3.742 -1.073 1.00 0.00 O ATOM 997 CB ILE A 69 -2.003 3.229 -2.646 1.00 0.00 C ATOM 998 CG1 ILE A 69 -1.048 2.138 -3.136 1.00 0.00 C ATOM 999 CG2 ILE A 69 -1.614 3.694 -1.250 1.00 0.00 C ATOM 1000 CD1 ILE A 69 0.308 2.665 -3.550 1.00 0.00 C ATOM 0 H ILE A 69 -3.099 2.260 -4.669 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.529 1.858 -1.980 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.932 4.079 -3.324 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.916 1.400 -2.345 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.502 1.622 -3.982 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.586 4.057 -1.261 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.279 4.498 -0.936 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.698 2.861 -0.552 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.933 1.838 -3.886 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.187 3.382 -4.362 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.782 3.156 -2.700 1.00 0.00 H new ATOM 1012 N GLU A 70 -4.536 4.856 -2.986 1.00 0.00 N ATOM 1013 CA GLU A 70 -5.395 5.982 -2.638 1.00 0.00 C ATOM 1014 C GLU A 70 -6.639 5.508 -1.894 1.00 0.00 C ATOM 1015 O GLU A 70 -6.844 5.844 -0.726 1.00 0.00 O ATOM 1016 CB GLU A 70 -5.802 6.750 -3.898 1.00 0.00 C ATOM 1017 CG GLU A 70 -6.735 7.917 -3.624 1.00 0.00 C ATOM 1018 CD GLU A 70 -7.071 8.702 -4.878 1.00 0.00 C ATOM 1019 OE1 GLU A 70 -6.238 9.532 -5.298 1.00 0.00 O ATOM 1020 OE2 GLU A 70 -8.166 8.486 -5.438 1.00 0.00 O ATOM 0 H GLU A 70 -4.080 4.938 -3.895 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.832 6.646 -1.982 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.905 7.122 -4.393 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.287 6.063 -4.591 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.656 7.544 -3.176 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.273 8.583 -2.895 1.00 0.00 H new ATOM 1027 N CYS A 71 -7.468 4.725 -2.577 1.00 0.00 N ATOM 1028 CA CYS A 71 -8.694 4.205 -1.982 1.00 0.00 C ATOM 1029 C CYS A 71 -8.379 3.232 -0.851 1.00 0.00 C ATOM 1030 O CYS A 71 -8.962 3.310 0.229 1.00 0.00 O ATOM 1031 CB CYS A 71 -9.547 3.513 -3.046 1.00 0.00 C ATOM 1032 SG CYS A 71 -10.537 4.644 -4.050 1.00 0.00 S ATOM 0 H CYS A 71 -7.313 4.437 -3.543 1.00 0.00 H new ATOM 0 HA CYS A 71 -9.253 5.044 -1.568 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -8.894 2.939 -3.703 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -10.212 2.802 -2.557 1.00 0.00 H new ATOM 0 HG CYS A 71 -11.221 3.965 -4.922 1.00 0.00 H new ATOM 1038 N MET A 72 -7.453 2.314 -1.109 1.00 0.00 N ATOM 1039 CA MET A 72 -7.061 1.324 -0.112 1.00 0.00 C ATOM 1040 C MET A 72 -6.952 1.957 1.271 1.00 0.00 C ATOM 1041 O MET A 72 -7.535 1.467 2.237 1.00 0.00 O ATOM 1042 CB MET A 72 -5.727 0.681 -0.498 1.00 0.00 C ATOM 1043 CG MET A 72 -5.403 -0.572 0.299 1.00 0.00 C ATOM 1044 SD MET A 72 -4.016 -1.495 -0.389 1.00 0.00 S ATOM 1045 CE MET A 72 -4.598 -1.787 -2.057 1.00 0.00 C ATOM 0 H MET A 72 -6.961 2.235 -1.999 1.00 0.00 H new ATOM 0 HA MET A 72 -7.832 0.554 -0.079 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.747 0.432 -1.559 1.00 0.00 H new ATOM 0 HB3 MET A 72 -4.928 1.409 -0.356 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.175 -0.294 1.328 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.282 -1.215 0.330 1.00 0.00 H new ATOM 0 HE1 MET A 72 -4.361 -2.809 -2.351 1.00 0.00 H new ATOM 0 HE2 MET A 72 -5.677 -1.639 -2.097 1.00 0.00 H new ATOM 0 HE3 MET A 72 -4.111 -1.091 -2.739 1.00 0.00 H new ATOM 1055 N VAL A 73 -6.200 3.051 1.357 1.00 0.00 N ATOM 1056 CA VAL A 73 -6.015 3.752 2.622 1.00 0.00 C ATOM 1057 C VAL A 73 -6.857 5.022 2.674 1.00 0.00 C ATOM 1058 O VAL A 73 -7.563 5.351 1.721 1.00 0.00 O ATOM 1059 CB VAL A 73 -4.537 4.119 2.849 1.00 0.00 C ATOM 1060 CG1 VAL A 73 -3.657 2.884 2.742 1.00 0.00 C ATOM 1061 CG2 VAL A 73 -4.094 5.186 1.858 1.00 0.00 C ATOM 0 H VAL A 73 -5.710 3.470 0.567 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.338 3.073 3.411 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.433 4.524 3.856 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.616 3.164 2.905 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.959 2.155 3.494 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.764 2.446 1.749 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.047 5.433 2.033 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.213 4.811 0.842 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.704 6.080 1.988 1.00 0.00 H new ATOM 1071 N ALA A 74 -6.777 5.734 3.794 1.00 0.00 N ATOM 1072 CA ALA A 74 -7.530 6.969 3.969 1.00 0.00 C ATOM 1073 C ALA A 74 -6.646 8.189 3.729 1.00 0.00 C ATOM 1074 O ALA A 74 -5.431 8.134 3.918 1.00 0.00 O ATOM 1075 CB ALA A 74 -8.138 7.023 5.362 1.00 0.00 C ATOM 0 H ALA A 74 -6.198 5.476 4.593 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.333 6.983 3.232 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.698 7.951 5.479 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.809 6.175 5.499 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.344 6.982 6.107 1.00 0.00 H new ATOM 1081 N ALA A 75 -7.263 9.289 3.311 1.00 0.00 N ATOM 1082 CA ALA A 75 -6.533 10.522 3.046 1.00 0.00 C ATOM 1083 C ALA A 75 -5.396 10.711 4.043 1.00 0.00 C ATOM 1084 O ALA A 75 -4.240 10.879 3.656 1.00 0.00 O ATOM 1085 CB ALA A 75 -7.478 11.714 3.086 1.00 0.00 C ATOM 0 H ALA A 75 -8.268 9.351 3.148 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.098 10.451 2.049 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.919 12.628 2.886 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.253 11.590 2.329 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.940 11.779 4.071 1.00 0.00 H new ATOM 1091 N GLU A 76 -5.732 10.685 5.330 1.00 0.00 N ATOM 1092 CA GLU A 76 -4.738 10.855 6.382 1.00 0.00 C ATOM 1093 C GLU A 76 -3.467 10.074 6.061 1.00 0.00 C ATOM 1094 O GLU A 76 -2.362 10.617 6.115 1.00 0.00 O ATOM 1095 CB GLU A 76 -5.304 10.399 7.729 1.00 0.00 C ATOM 1096 CG GLU A 76 -5.728 8.940 7.748 1.00 0.00 C ATOM 1097 CD GLU A 76 -6.657 8.618 8.901 1.00 0.00 C ATOM 1098 OE1 GLU A 76 -7.654 9.349 9.082 1.00 0.00 O ATOM 1099 OE2 GLU A 76 -6.389 7.634 9.623 1.00 0.00 O ATOM 0 H GLU A 76 -6.685 10.548 5.668 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.488 11.914 6.442 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.553 10.561 8.503 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.162 11.021 7.983 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.224 8.697 6.808 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.842 8.309 7.813 1.00 0.00 H new ATOM 1106 N ILE A 77 -3.631 8.798 5.730 1.00 0.00 N ATOM 1107 CA ILE A 77 -2.499 7.942 5.401 1.00 0.00 C ATOM 1108 C ILE A 77 -1.938 8.278 4.023 1.00 0.00 C ATOM 1109 O ILE A 77 -0.763 8.616 3.885 1.00 0.00 O ATOM 1110 CB ILE A 77 -2.889 6.453 5.434 1.00 0.00 C ATOM 1111 CG1 ILE A 77 -3.366 6.060 6.834 1.00 0.00 C ATOM 1112 CG2 ILE A 77 -1.713 5.588 5.007 1.00 0.00 C ATOM 1113 CD1 ILE A 77 -2.378 6.400 7.927 1.00 0.00 C ATOM 0 H ILE A 77 -4.538 8.334 5.683 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.736 8.126 6.157 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.707 6.291 4.733 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -4.311 6.562 7.041 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.563 4.988 6.854 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.004 4.538 5.035 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.415 5.854 3.993 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.876 5.751 5.686 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.783 6.093 8.892 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.439 5.877 7.744 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.199 7.475 7.934 1.00 0.00 H new ATOM 1125 N MET A 78 -2.789 8.184 3.005 1.00 0.00 N ATOM 1126 CA MET A 78 -2.378 8.481 1.638 1.00 0.00 C ATOM 1127 C MET A 78 -1.366 9.622 1.609 1.00 0.00 C ATOM 1128 O MET A 78 -0.255 9.465 1.102 1.00 0.00 O ATOM 1129 CB MET A 78 -3.595 8.843 0.785 1.00 0.00 C ATOM 1130 CG MET A 78 -3.289 8.948 -0.700 1.00 0.00 C ATOM 1131 SD MET A 78 -2.450 7.486 -1.340 1.00 0.00 S ATOM 1132 CE MET A 78 -2.084 8.011 -3.014 1.00 0.00 C ATOM 0 H MET A 78 -3.765 7.905 3.101 1.00 0.00 H new ATOM 0 HA MET A 78 -1.905 7.589 1.226 1.00 0.00 H new ATOM 0 HB2 MET A 78 -4.370 8.091 0.935 1.00 0.00 H new ATOM 0 HB3 MET A 78 -4.001 9.793 1.132 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.219 9.098 -1.249 1.00 0.00 H new ATOM 0 HG3 MET A 78 -2.668 9.826 -0.878 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.563 7.211 -3.540 1.00 0.00 H new ATOM 0 HE2 MET A 78 -3.013 8.243 -3.534 1.00 0.00 H new ATOM 0 HE3 MET A 78 -1.452 8.899 -2.987 1.00 0.00 H new ATOM 1142 N GLN A 79 -1.757 10.769 2.155 1.00 0.00 N ATOM 1143 CA GLN A 79 -0.883 11.935 2.190 1.00 0.00 C ATOM 1144 C GLN A 79 0.567 11.522 2.422 1.00 0.00 C ATOM 1145 O GLN A 79 1.459 11.896 1.660 1.00 0.00 O ATOM 1146 CB GLN A 79 -1.332 12.902 3.287 1.00 0.00 C ATOM 1147 CG GLN A 79 -0.829 14.323 3.089 1.00 0.00 C ATOM 1148 CD GLN A 79 -1.228 15.247 4.223 1.00 0.00 C ATOM 1149 OE1 GLN A 79 -2.413 15.436 4.497 1.00 0.00 O ATOM 1150 NE2 GLN A 79 -0.237 15.828 4.890 1.00 0.00 N ATOM 0 H GLN A 79 -2.673 10.915 2.579 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.949 12.436 1.224 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -2.421 12.913 3.326 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.982 12.533 4.251 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.257 14.311 3.001 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.221 14.716 2.151 1.00 0.00 H new ATOM 0 HE21 GLN A 79 0.731 15.643 4.629 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -0.444 16.460 5.664 1.00 0.00 H new ATOM 1159 N ARG A 80 0.795 10.750 3.479 1.00 0.00 N ATOM 1160 CA ARG A 80 2.137 10.287 3.813 1.00 0.00 C ATOM 1161 C ARG A 80 2.820 9.678 2.593 1.00 0.00 C ATOM 1162 O ARG A 80 3.975 9.986 2.296 1.00 0.00 O ATOM 1163 CB ARG A 80 2.079 9.260 4.945 1.00 0.00 C ATOM 1164 CG ARG A 80 1.702 9.857 6.291 1.00 0.00 C ATOM 1165 CD ARG A 80 1.468 8.775 7.334 1.00 0.00 C ATOM 1166 NE ARG A 80 1.508 9.308 8.693 1.00 0.00 N ATOM 1167 CZ ARG A 80 1.914 8.607 9.746 1.00 0.00 C ATOM 1168 NH1 ARG A 80 2.312 7.350 9.596 1.00 0.00 N ATOM 1169 NH2 ARG A 80 1.920 9.161 10.951 1.00 0.00 N ATOM 0 H ARG A 80 0.068 10.432 4.119 1.00 0.00 H new ATOM 0 HA ARG A 80 2.720 11.147 4.143 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.357 8.486 4.685 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.050 8.773 5.032 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.495 10.525 6.629 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.801 10.461 6.183 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.501 8.304 7.157 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.225 7.998 7.227 1.00 0.00 H new ATOM 0 HE ARG A 80 1.208 10.271 8.842 1.00 0.00 H new ATOM 0 HH11 ARG A 80 2.307 6.920 8.671 1.00 0.00 H new ATOM 0 HH12 ARG A 80 2.623 6.814 10.406 1.00 0.00 H new ATOM 0 HH21 ARG A 80 1.613 10.126 11.070 1.00 0.00 H new ATOM 0 HH22 ARG A 80 2.232 8.622 11.759 1.00 0.00 H new ATOM 1183 N TYR A 81 2.100 8.811 1.889 1.00 0.00 N ATOM 1184 CA TYR A 81 2.638 8.156 0.702 1.00 0.00 C ATOM 1185 C TYR A 81 3.144 9.185 -0.306 1.00 0.00 C ATOM 1186 O TYR A 81 4.284 9.112 -0.765 1.00 0.00 O ATOM 1187 CB TYR A 81 1.571 7.273 0.054 1.00 0.00 C ATOM 1188 CG TYR A 81 2.009 6.655 -1.254 1.00 0.00 C ATOM 1189 CD1 TYR A 81 2.985 5.666 -1.285 1.00 0.00 C ATOM 1190 CD2 TYR A 81 1.449 7.060 -2.459 1.00 0.00 C ATOM 1191 CE1 TYR A 81 3.390 5.098 -2.478 1.00 0.00 C ATOM 1192 CE2 TYR A 81 1.846 6.497 -3.656 1.00 0.00 C ATOM 1193 CZ TYR A 81 2.817 5.517 -3.661 1.00 0.00 C ATOM 1194 OH TYR A 81 3.216 4.954 -4.852 1.00 0.00 O ATOM 0 H TYR A 81 1.143 8.546 2.120 1.00 0.00 H new ATOM 0 HA TYR A 81 3.478 7.533 1.011 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.298 6.478 0.748 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.674 7.868 -0.117 1.00 0.00 H new ATOM 0 HD1 TYR A 81 3.435 5.336 -0.360 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.690 7.828 -2.460 1.00 0.00 H new ATOM 0 HE1 TYR A 81 4.150 4.331 -2.484 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.399 6.822 -4.584 1.00 0.00 H new ATOM 0 HH TYR A 81 2.714 5.359 -5.590 1.00 0.00 H new ATOM 1204 N LYS A 82 2.287 10.142 -0.645 1.00 0.00 N ATOM 1205 CA LYS A 82 2.645 11.187 -1.597 1.00 0.00 C ATOM 1206 C LYS A 82 3.858 11.974 -1.109 1.00 0.00 C ATOM 1207 O LYS A 82 4.801 12.211 -1.864 1.00 0.00 O ATOM 1208 CB LYS A 82 1.463 12.133 -1.814 1.00 0.00 C ATOM 1209 CG LYS A 82 0.371 11.551 -2.695 1.00 0.00 C ATOM 1210 CD LYS A 82 -0.742 12.555 -2.941 1.00 0.00 C ATOM 1211 CE LYS A 82 -1.692 12.637 -1.757 1.00 0.00 C ATOM 1212 NZ LYS A 82 -2.953 13.347 -2.104 1.00 0.00 N ATOM 0 H LYS A 82 1.339 10.216 -0.275 1.00 0.00 H new ATOM 0 HA LYS A 82 2.900 10.711 -2.544 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.036 12.395 -0.846 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.826 13.057 -2.263 1.00 0.00 H new ATOM 0 HG2 LYS A 82 0.799 11.240 -3.648 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.041 10.658 -2.224 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.311 13.538 -3.131 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.297 12.272 -3.835 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.926 11.631 -1.409 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.200 13.153 -0.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.573 13.381 -1.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.733 14.316 -2.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.436 12.841 -2.874 1.00 0.00 H new ATOM 1226 N LYS A 83 3.827 12.375 0.157 1.00 0.00 N ATOM 1227 CA LYS A 83 4.924 13.133 0.747 1.00 0.00 C ATOM 1228 C LYS A 83 6.267 12.485 0.427 1.00 0.00 C ATOM 1229 O LYS A 83 7.213 13.160 0.019 1.00 0.00 O ATOM 1230 CB LYS A 83 4.743 13.236 2.263 1.00 0.00 C ATOM 1231 CG LYS A 83 5.746 14.158 2.935 1.00 0.00 C ATOM 1232 CD LYS A 83 5.160 14.813 4.174 1.00 0.00 C ATOM 1233 CE LYS A 83 5.900 16.092 4.532 1.00 0.00 C ATOM 1234 NZ LYS A 83 7.190 15.811 5.221 1.00 0.00 N ATOM 0 H LYS A 83 3.053 12.188 0.795 1.00 0.00 H new ATOM 0 HA LYS A 83 4.913 14.135 0.317 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.735 13.592 2.477 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.828 12.241 2.699 1.00 0.00 H new ATOM 0 HG2 LYS A 83 6.636 13.591 3.209 1.00 0.00 H new ATOM 0 HG3 LYS A 83 6.062 14.928 2.231 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.107 15.036 4.005 1.00 0.00 H new ATOM 0 HD3 LYS A 83 5.208 14.117 5.012 1.00 0.00 H new ATOM 0 HE2 LYS A 83 6.090 16.668 3.626 1.00 0.00 H new ATOM 0 HE3 LYS A 83 5.271 16.708 5.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.665 16.708 5.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 7.007 15.284 6.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.800 15.245 4.598 1.00 0.00 H new ATOM 1248 N LEU A 84 6.344 11.172 0.613 1.00 0.00 N ATOM 1249 CA LEU A 84 7.572 10.431 0.343 1.00 0.00 C ATOM 1250 C LEU A 84 7.990 10.586 -1.115 1.00 0.00 C ATOM 1251 O LEU A 84 9.148 10.880 -1.410 1.00 0.00 O ATOM 1252 CB LEU A 84 7.382 8.951 0.677 1.00 0.00 C ATOM 1253 CG LEU A 84 7.122 8.623 2.148 1.00 0.00 C ATOM 1254 CD1 LEU A 84 6.800 7.146 2.317 1.00 0.00 C ATOM 1255 CD2 LEU A 84 8.321 9.010 3.000 1.00 0.00 C ATOM 0 H LEU A 84 5.571 10.598 0.950 1.00 0.00 H new ATOM 0 HA LEU A 84 8.361 10.840 0.974 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.548 8.570 0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.272 8.410 0.357 1.00 0.00 H new ATOM 0 HG LEU A 84 6.261 9.202 2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.618 6.931 3.370 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.911 6.899 1.737 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.640 6.548 1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.118 8.770 4.044 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.199 8.458 2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.506 10.080 2.903 1.00 0.00 H new ATOM 1267 N GLN A 85 7.040 10.385 -2.023 1.00 0.00 N ATOM 1268 CA GLN A 85 7.311 10.503 -3.451 1.00 0.00 C ATOM 1269 C GLN A 85 7.797 11.907 -3.798 1.00 0.00 C ATOM 1270 O GLN A 85 8.810 12.074 -4.478 1.00 0.00 O ATOM 1271 CB GLN A 85 6.056 10.171 -4.259 1.00 0.00 C ATOM 1272 CG GLN A 85 5.525 8.768 -4.010 1.00 0.00 C ATOM 1273 CD GLN A 85 6.484 7.691 -4.476 1.00 0.00 C ATOM 1274 OE1 GLN A 85 7.625 7.975 -4.843 1.00 0.00 O ATOM 1275 NE2 GLN A 85 6.026 6.444 -4.466 1.00 0.00 N ATOM 0 H GLN A 85 6.076 10.140 -1.795 1.00 0.00 H new ATOM 0 HA GLN A 85 8.097 9.792 -3.706 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.277 10.894 -4.017 1.00 0.00 H new ATOM 0 HB3 GLN A 85 6.277 10.284 -5.320 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.331 8.641 -2.945 1.00 0.00 H new ATOM 0 HG3 GLN A 85 4.572 8.648 -4.524 1.00 0.00 H new ATOM 0 HE21 GLN A 85 5.074 6.253 -4.154 1.00 0.00 H new ATOM 0 HE22 GLN A 85 6.627 5.678 -4.770 1.00 0.00 H new ATOM 1284 N PHE A 86 7.068 12.913 -3.327 1.00 0.00 N ATOM 1285 CA PHE A 86 7.423 14.303 -3.590 1.00 0.00 C ATOM 1286 C PHE A 86 8.898 14.554 -3.288 1.00 0.00 C ATOM 1287 O PHE A 86 9.614 15.149 -4.092 1.00 0.00 O ATOM 1288 CB PHE A 86 6.553 15.241 -2.752 1.00 0.00 C ATOM 1289 CG PHE A 86 7.122 16.624 -2.614 1.00 0.00 C ATOM 1290 CD1 PHE A 86 7.361 17.404 -3.734 1.00 0.00 C ATOM 1291 CD2 PHE A 86 7.418 17.144 -1.364 1.00 0.00 C ATOM 1292 CE1 PHE A 86 7.885 18.678 -3.611 1.00 0.00 C ATOM 1293 CE2 PHE A 86 7.942 18.417 -1.235 1.00 0.00 C ATOM 1294 CZ PHE A 86 8.176 19.184 -2.359 1.00 0.00 C ATOM 0 H PHE A 86 6.228 12.792 -2.761 1.00 0.00 H new ATOM 0 HA PHE A 86 7.247 14.503 -4.647 1.00 0.00 H new ATOM 0 HB2 PHE A 86 5.564 15.307 -3.205 1.00 0.00 H new ATOM 0 HB3 PHE A 86 6.421 14.811 -1.759 1.00 0.00 H new ATOM 0 HD1 PHE A 86 7.135 17.012 -4.715 1.00 0.00 H new ATOM 0 HD2 PHE A 86 7.237 16.549 -0.481 1.00 0.00 H new ATOM 0 HE1 PHE A 86 8.066 19.276 -4.492 1.00 0.00 H new ATOM 0 HE2 PHE A 86 8.168 18.811 -0.255 1.00 0.00 H new ATOM 0 HZ PHE A 86 8.586 20.178 -2.259 1.00 0.00 H new ATOM 1304 N GLU A 87 9.342 14.095 -2.122 1.00 0.00 N ATOM 1305 CA GLU A 87 10.731 14.270 -1.713 1.00 0.00 C ATOM 1306 C GLU A 87 11.684 13.751 -2.786 1.00 0.00 C ATOM 1307 O GLU A 87 12.652 14.420 -3.148 1.00 0.00 O ATOM 1308 CB GLU A 87 10.992 13.547 -0.390 1.00 0.00 C ATOM 1309 CG GLU A 87 10.536 14.327 0.831 1.00 0.00 C ATOM 1310 CD GLU A 87 11.578 15.318 1.311 1.00 0.00 C ATOM 1311 OE1 GLU A 87 12.758 14.929 1.430 1.00 0.00 O ATOM 1312 OE2 GLU A 87 11.212 16.485 1.568 1.00 0.00 O ATOM 0 H GLU A 87 8.761 13.600 -1.445 1.00 0.00 H new ATOM 0 HA GLU A 87 10.911 15.336 -1.577 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.483 12.583 -0.406 1.00 0.00 H new ATOM 0 HB3 GLU A 87 12.059 13.342 -0.302 1.00 0.00 H new ATOM 0 HG2 GLU A 87 9.615 14.860 0.594 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.304 13.631 1.637 1.00 0.00 H new ATOM 1319 N ARG A 88 11.403 12.554 -3.290 1.00 0.00 N ATOM 1320 CA ARG A 88 12.236 11.944 -4.319 1.00 0.00 C ATOM 1321 C ARG A 88 11.495 11.882 -5.652 1.00 0.00 C ATOM 1322 O ARG A 88 10.959 10.840 -6.029 1.00 0.00 O ATOM 1323 CB ARG A 88 12.660 10.537 -3.895 1.00 0.00 C ATOM 1324 CG ARG A 88 13.614 10.520 -2.711 1.00 0.00 C ATOM 1325 CD ARG A 88 14.028 9.101 -2.351 1.00 0.00 C ATOM 1326 NE ARG A 88 15.186 8.656 -3.124 1.00 0.00 N ATOM 1327 CZ ARG A 88 16.443 8.873 -2.756 1.00 0.00 C ATOM 1328 NH1 ARG A 88 16.705 9.526 -1.633 1.00 0.00 N ATOM 1329 NH2 ARG A 88 17.442 8.437 -3.513 1.00 0.00 N ATOM 0 H ARG A 88 10.605 11.988 -3.002 1.00 0.00 H new ATOM 0 HA ARG A 88 13.125 12.562 -4.444 1.00 0.00 H new ATOM 0 HB2 ARG A 88 11.771 9.959 -3.643 1.00 0.00 H new ATOM 0 HB3 ARG A 88 13.135 10.039 -4.741 1.00 0.00 H new ATOM 0 HG2 ARG A 88 14.500 11.110 -2.947 1.00 0.00 H new ATOM 0 HG3 ARG A 88 13.137 10.991 -1.851 1.00 0.00 H new ATOM 0 HD2 ARG A 88 14.261 9.050 -1.287 1.00 0.00 H new ATOM 0 HD3 ARG A 88 13.192 8.424 -2.527 1.00 0.00 H new ATOM 0 HE ARG A 88 15.019 8.151 -3.994 1.00 0.00 H new ATOM 0 HH11 ARG A 88 15.940 9.863 -1.049 1.00 0.00 H new ATOM 0 HH12 ARG A 88 17.672 9.691 -1.353 1.00 0.00 H new ATOM 0 HH21 ARG A 88 17.244 7.935 -4.378 1.00 0.00 H new ATOM 0 HH22 ARG A 88 18.407 8.604 -3.229 1.00 0.00 H new ATOM 1343 N SER A 89 11.469 13.007 -6.360 1.00 0.00 N ATOM 1344 CA SER A 89 10.791 13.083 -7.649 1.00 0.00 C ATOM 1345 C SER A 89 11.698 13.706 -8.704 1.00 0.00 C ATOM 1346 O SER A 89 12.718 14.315 -8.382 1.00 0.00 O ATOM 1347 CB SER A 89 9.501 13.896 -7.523 1.00 0.00 C ATOM 1348 OG SER A 89 8.649 13.677 -8.633 1.00 0.00 O ATOM 0 H SER A 89 11.909 13.878 -6.063 1.00 0.00 H new ATOM 0 HA SER A 89 10.543 12.069 -7.962 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.983 13.622 -6.604 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.742 14.957 -7.449 1.00 0.00 H new ATOM 0 HG SER A 89 7.831 14.207 -8.527 1.00 0.00 H new ATOM 1354 N GLY A 90 11.319 13.550 -9.970 1.00 0.00 N ATOM 1355 CA GLY A 90 12.108 14.102 -11.055 1.00 0.00 C ATOM 1356 C GLY A 90 12.725 13.028 -11.927 1.00 0.00 C ATOM 1357 O GLY A 90 12.335 11.861 -11.882 1.00 0.00 O ATOM 0 H GLY A 90 10.479 13.051 -10.263 1.00 0.00 H new ATOM 0 HA2 GLY A 90 11.477 14.746 -11.668 1.00 0.00 H new ATOM 0 HA3 GLY A 90 12.898 14.730 -10.643 1.00 0.00 H new ATOM 1361 N PRO A 91 13.713 13.421 -12.747 1.00 0.00 N ATOM 1362 CA PRO A 91 14.405 12.497 -13.651 1.00 0.00 C ATOM 1363 C PRO A 91 15.288 11.506 -12.901 1.00 0.00 C ATOM 1364 O PRO A 91 15.915 11.852 -11.900 1.00 0.00 O ATOM 1365 CB PRO A 91 15.260 13.425 -14.519 1.00 0.00 C ATOM 1366 CG PRO A 91 15.475 14.637 -13.679 1.00 0.00 C ATOM 1367 CD PRO A 91 14.229 14.795 -12.853 1.00 0.00 C ATOM 0 HA PRO A 91 13.707 11.882 -14.219 1.00 0.00 H new ATOM 0 HB2 PRO A 91 16.207 12.956 -14.787 1.00 0.00 H new ATOM 0 HB3 PRO A 91 14.753 13.674 -15.451 1.00 0.00 H new ATOM 0 HG2 PRO A 91 16.353 14.520 -13.043 1.00 0.00 H new ATOM 0 HG3 PRO A 91 15.646 15.517 -14.300 1.00 0.00 H new ATOM 0 HD2 PRO A 91 14.448 15.219 -11.873 1.00 0.00 H new ATOM 0 HD3 PRO A 91 13.510 15.458 -13.334 1.00 0.00 H new ATOM 1375 N SER A 92 15.334 10.272 -13.393 1.00 0.00 N ATOM 1376 CA SER A 92 16.139 9.229 -12.768 1.00 0.00 C ATOM 1377 C SER A 92 17.321 8.850 -13.654 1.00 0.00 C ATOM 1378 O SER A 92 17.143 8.419 -14.794 1.00 0.00 O ATOM 1379 CB SER A 92 15.282 7.994 -12.485 1.00 0.00 C ATOM 1380 OG SER A 92 14.429 8.209 -11.374 1.00 0.00 O ATOM 0 H SER A 92 14.823 9.970 -14.223 1.00 0.00 H new ATOM 0 HA SER A 92 16.524 9.618 -11.826 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.685 7.752 -13.364 1.00 0.00 H new ATOM 0 HB3 SER A 92 15.927 7.137 -12.292 1.00 0.00 H new ATOM 0 HG SER A 92 13.891 7.406 -11.215 1.00 0.00 H new ATOM 1386 N SER A 93 18.529 9.013 -13.123 1.00 0.00 N ATOM 1387 CA SER A 93 19.740 8.692 -13.866 1.00 0.00 C ATOM 1388 C SER A 93 20.029 7.194 -13.814 1.00 0.00 C ATOM 1389 O SER A 93 21.169 6.777 -13.610 1.00 0.00 O ATOM 1390 CB SER A 93 20.931 9.472 -13.305 1.00 0.00 C ATOM 1391 OG SER A 93 21.325 8.962 -12.042 1.00 0.00 O ATOM 0 H SER A 93 18.694 9.366 -12.180 1.00 0.00 H new ATOM 0 HA SER A 93 19.584 8.979 -14.906 1.00 0.00 H new ATOM 0 HB2 SER A 93 21.768 9.415 -14.001 1.00 0.00 H new ATOM 0 HB3 SER A 93 20.668 10.525 -13.209 1.00 0.00 H new ATOM 0 HG SER A 93 21.682 8.056 -12.152 1.00 0.00 H new ATOM 1397 N GLY A 94 18.987 6.390 -13.998 1.00 0.00 N ATOM 1398 CA GLY A 94 19.147 4.948 -13.968 1.00 0.00 C ATOM 1399 C GLY A 94 18.348 4.254 -15.052 1.00 0.00 C ATOM 1400 O GLY A 94 17.866 3.145 -14.823 1.00 0.00 O ATOM 0 H GLY A 94 18.034 6.712 -14.167 1.00 0.00 H new ATOM 0 HA2 GLY A 94 20.202 4.700 -14.083 1.00 0.00 H new ATOM 0 HA3 GLY A 94 18.836 4.571 -12.994 1.00 0.00 H new TER 1404 GLY A 94 HETATM 1405 ZN ZN A 201 -5.924 -11.797 3.277 1.00 0.00 ZN HETATM 1406 ZN ZN A 401 1.922 -10.424 -7.581 1.00 0.00 ZN