USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 516 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 Single : A 1 ASN : amide:sc= 1.04 K(o=1,f=-0.11) USER MOD Single : A 1 ASN N :NH3+ -175:sc= 1.18 (180deg=1.12) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot -110:sc= 0.0977 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -34:sc= 0.734 USER MOD Single : A 36 LYS NZ :NH3+ 158:sc= -0.248 (180deg=-0.926) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc=-0.000427 K(o=-0.00043,f=-0.94) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -2.13! C(o=-2.1!,f=-1.7!) USER MOD Single : A 61 SER OG : rot -54:sc= 0.891 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 155:sc= -0.0772 (180deg=-0.996) USER MOD Single : A 68 GLN : amide:sc=-0.00141 K(o=-0.0014,f=-0.65) USER MOD Single : A 69 LYS NZ :NH3+ -150:sc= 1.22 (180deg=0.893) USER MOD Single : A 75 HIS :FLIP no HD1:sc= -0.594 F(o=-1.6!,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -13.751 -1.780 13.499 1.00 0.00 N ATOM 2 CA ASN A 1 -13.164 -1.609 12.151 1.00 0.00 C ATOM 3 C ASN A 1 -12.279 -2.788 11.801 1.00 0.00 C ATOM 4 O ASN A 1 -11.354 -3.116 12.539 1.00 0.00 O ATOM 5 CB ASN A 1 -12.361 -0.304 11.949 1.00 0.00 C ATOM 6 CG ASN A 1 -11.438 0.082 13.106 1.00 0.00 C ATOM 7 OD1 ASN A 1 -11.541 1.166 13.637 1.00 0.00 O ATOM 8 ND2 ASN A 1 -10.549 -0.764 13.578 1.00 0.00 N ATOM 0 H1 ASN A 1 -14.420 -1.006 13.687 1.00 0.00 H new ATOM 0 H2 ASN A 1 -14.252 -2.690 13.546 1.00 0.00 H new ATOM 0 H3 ASN A 1 -12.994 -1.764 14.212 1.00 0.00 H new ATOM 0 HA ASN A 1 -14.024 -1.549 11.484 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -11.761 -0.403 11.045 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -13.063 0.512 11.778 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -9.966 -0.501 14.373 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -10.442 -1.683 13.149 1.00 0.00 H new ATOM 17 N GLU A 2 -12.509 -3.371 10.630 1.00 0.00 N ATOM 18 CA GLU A 2 -11.917 -4.670 10.297 1.00 0.00 C ATOM 19 C GLU A 2 -10.868 -4.536 9.184 1.00 0.00 C ATOM 20 O GLU A 2 -9.944 -5.340 9.097 1.00 0.00 O ATOM 21 CB GLU A 2 -13.028 -5.682 9.950 1.00 0.00 C ATOM 22 CG GLU A 2 -14.396 -5.415 10.625 1.00 0.00 C ATOM 23 CD GLU A 2 -14.317 -5.378 12.160 1.00 0.00 C ATOM 24 OE1 GLU A 2 -13.999 -6.424 12.754 1.00 0.00 O ATOM 25 OE2 GLU A 2 -14.484 -4.262 12.726 1.00 0.00 O ATOM 0 H GLU A 2 -13.096 -2.972 9.897 1.00 0.00 H new ATOM 0 HA GLU A 2 -11.385 -5.053 11.168 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -13.169 -5.687 8.869 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -12.690 -6.679 10.232 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -14.792 -4.466 10.265 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -15.101 -6.190 10.322 1.00 0.00 H new ATOM 32 N CYS A 3 -10.926 -3.451 8.400 1.00 0.00 N ATOM 33 CA CYS A 3 -9.910 -3.097 7.403 1.00 0.00 C ATOM 34 C CYS A 3 -8.499 -3.099 8.014 1.00 0.00 C ATOM 35 O CYS A 3 -7.671 -3.937 7.662 1.00 0.00 O ATOM 36 CB CYS A 3 -10.261 -1.740 6.781 1.00 0.00 C ATOM 37 SG CYS A 3 -11.735 -1.843 5.748 1.00 0.00 S ATOM 0 H CYS A 3 -11.696 -2.783 8.443 1.00 0.00 H new ATOM 0 HA CYS A 3 -9.905 -3.850 6.615 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -10.421 -1.007 7.572 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -9.421 -1.385 6.183 1.00 0.00 H new ATOM 42 N VAL A 4 -8.246 -2.214 8.989 1.00 0.00 N ATOM 43 CA VAL A 4 -6.963 -2.130 9.710 1.00 0.00 C ATOM 44 C VAL A 4 -6.568 -3.455 10.376 1.00 0.00 C ATOM 45 O VAL A 4 -5.400 -3.807 10.367 1.00 0.00 O ATOM 46 CB VAL A 4 -6.989 -0.968 10.725 1.00 0.00 C ATOM 47 CG1 VAL A 4 -7.687 -1.319 12.047 1.00 0.00 C ATOM 48 CG2 VAL A 4 -5.579 -0.447 11.018 1.00 0.00 C ATOM 0 H VAL A 4 -8.932 -1.528 9.304 1.00 0.00 H new ATOM 0 HA VAL A 4 -6.190 -1.925 8.970 1.00 0.00 H new ATOM 0 HB VAL A 4 -7.577 -0.186 10.244 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -7.666 -0.454 12.710 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.721 -1.600 11.849 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -7.169 -2.153 12.522 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -5.635 0.371 11.737 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.972 -1.252 11.432 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -5.125 -0.088 10.095 1.00 0.00 H new ATOM 58 N SER A 5 -7.552 -4.225 10.872 1.00 0.00 N ATOM 59 CA SER A 5 -7.356 -5.538 11.508 1.00 0.00 C ATOM 60 C SER A 5 -6.761 -6.572 10.544 1.00 0.00 C ATOM 61 O SER A 5 -6.067 -7.495 10.969 1.00 0.00 O ATOM 62 CB SER A 5 -8.694 -6.056 12.058 1.00 0.00 C ATOM 63 OG SER A 5 -8.521 -7.171 12.907 1.00 0.00 O ATOM 0 H SER A 5 -8.532 -3.943 10.840 1.00 0.00 H new ATOM 0 HA SER A 5 -6.643 -5.400 12.321 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.194 -5.257 12.606 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.345 -6.330 11.228 1.00 0.00 H new ATOM 0 HG SER A 5 -9.394 -7.469 13.237 1.00 0.00 H new ATOM 69 N LYS A 6 -6.981 -6.404 9.232 1.00 0.00 N ATOM 70 CA LYS A 6 -6.331 -7.196 8.187 1.00 0.00 C ATOM 71 C LYS A 6 -5.133 -6.513 7.519 1.00 0.00 C ATOM 72 O LYS A 6 -4.466 -7.179 6.734 1.00 0.00 O ATOM 73 CB LYS A 6 -7.401 -7.538 7.151 1.00 0.00 C ATOM 74 CG LYS A 6 -8.241 -8.776 7.487 1.00 0.00 C ATOM 75 CD LYS A 6 -7.629 -10.078 6.946 1.00 0.00 C ATOM 76 CE LYS A 6 -6.600 -10.656 7.923 1.00 0.00 C ATOM 77 NZ LYS A 6 -6.005 -11.915 7.413 1.00 0.00 N ATOM 0 H LYS A 6 -7.625 -5.703 8.866 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.908 -8.086 8.653 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.067 -6.682 7.040 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -6.918 -7.694 6.186 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.349 -8.853 8.569 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.242 -8.652 7.075 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.419 -10.809 6.771 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.153 -9.887 5.984 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.811 -9.924 8.095 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.077 -10.843 8.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.314 -12.276 8.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.755 -12.622 7.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.528 -11.732 6.507 1.00 0.00 H new ATOM 91 N GLY A 7 -4.870 -5.240 7.818 1.00 0.00 N ATOM 92 CA GLY A 7 -3.821 -4.443 7.180 1.00 0.00 C ATOM 93 C GLY A 7 -4.231 -3.810 5.843 1.00 0.00 C ATOM 94 O GLY A 7 -3.369 -3.621 4.993 1.00 0.00 O ATOM 0 H GLY A 7 -5.392 -4.723 8.526 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.516 -3.652 7.864 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.949 -5.076 7.016 1.00 0.00 H new ATOM 98 N PHE A 8 -5.515 -3.501 5.622 1.00 0.00 N ATOM 99 CA PHE A 8 -6.004 -2.811 4.420 1.00 0.00 C ATOM 100 C PHE A 8 -6.032 -1.283 4.556 1.00 0.00 C ATOM 101 O PHE A 8 -6.116 -0.738 5.665 1.00 0.00 O ATOM 102 CB PHE A 8 -7.412 -3.305 4.066 1.00 0.00 C ATOM 103 CG PHE A 8 -7.453 -4.741 3.602 1.00 0.00 C ATOM 104 CD1 PHE A 8 -6.844 -5.104 2.389 1.00 0.00 C ATOM 105 CD2 PHE A 8 -8.093 -5.716 4.378 1.00 0.00 C ATOM 106 CE1 PHE A 8 -6.904 -6.433 1.930 1.00 0.00 C ATOM 107 CE2 PHE A 8 -8.095 -7.053 3.952 1.00 0.00 C ATOM 108 CZ PHE A 8 -7.524 -7.413 2.721 1.00 0.00 C ATOM 0 H PHE A 8 -6.257 -3.727 6.285 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.296 -3.051 3.627 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -8.056 -3.196 4.939 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -7.825 -2.668 3.284 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.326 -4.358 1.805 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -8.583 -5.440 5.300 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -6.475 -6.697 0.975 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -8.540 -7.813 4.577 1.00 0.00 H new ATOM 0 HZ PHE A 8 -7.562 -8.439 2.384 1.00 0.00 H new ATOM 118 N GLY A 9 -6.077 -0.601 3.416 1.00 0.00 N ATOM 119 CA GLY A 9 -6.080 0.857 3.291 1.00 0.00 C ATOM 120 C GLY A 9 -7.463 1.392 2.922 1.00 0.00 C ATOM 121 O GLY A 9 -8.051 0.987 1.924 1.00 0.00 O ATOM 0 H GLY A 9 -6.114 -1.069 2.511 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -5.757 1.303 4.232 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.359 1.158 2.531 1.00 0.00 H new ATOM 125 N CYS A 10 -8.008 2.300 3.724 1.00 0.00 N ATOM 126 CA CYS A 10 -9.247 3.000 3.397 1.00 0.00 C ATOM 127 C CYS A 10 -9.022 4.044 2.313 1.00 0.00 C ATOM 128 O CYS A 10 -8.124 4.866 2.466 1.00 0.00 O ATOM 129 CB CYS A 10 -9.751 3.693 4.660 1.00 0.00 C ATOM 130 SG CYS A 10 -10.041 2.549 6.019 1.00 0.00 S ATOM 0 H CYS A 10 -7.604 2.572 4.620 1.00 0.00 H new ATOM 0 HA CYS A 10 -9.975 2.278 3.027 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -9.024 4.443 4.972 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.677 4.222 4.433 1.00 0.00 H new ATOM 135 N LEU A 11 -9.857 4.064 1.267 1.00 0.00 N ATOM 136 CA LEU A 11 -9.760 5.054 0.182 1.00 0.00 C ATOM 137 C LEU A 11 -11.161 5.479 -0.289 1.00 0.00 C ATOM 138 O LEU A 11 -12.140 4.816 0.051 1.00 0.00 O ATOM 139 CB LEU A 11 -8.900 4.478 -0.971 1.00 0.00 C ATOM 140 CG LEU A 11 -7.385 4.388 -0.679 1.00 0.00 C ATOM 141 CD1 LEU A 11 -6.646 3.713 -1.832 1.00 0.00 C ATOM 142 CD2 LEU A 11 -6.755 5.768 -0.468 1.00 0.00 C ATOM 0 H LEU A 11 -10.619 3.396 1.147 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.266 5.954 0.549 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.267 3.481 -1.214 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.047 5.096 -1.857 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.289 3.802 0.235 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.582 3.662 -1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.035 2.705 -1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.792 4.290 -2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.690 5.655 -0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.892 6.371 -1.365 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.234 6.261 0.378 1.00 0.00 H new ATOM 154 N PRO A 12 -11.320 6.587 -1.035 1.00 0.00 N ATOM 155 CA PRO A 12 -12.598 6.932 -1.652 1.00 0.00 C ATOM 156 C PRO A 12 -12.921 6.014 -2.833 1.00 0.00 C ATOM 157 O PRO A 12 -12.054 5.721 -3.645 1.00 0.00 O ATOM 158 CB PRO A 12 -12.472 8.405 -2.053 1.00 0.00 C ATOM 159 CG PRO A 12 -10.971 8.603 -2.255 1.00 0.00 C ATOM 160 CD PRO A 12 -10.333 7.633 -1.263 1.00 0.00 C ATOM 0 HA PRO A 12 -13.434 6.791 -0.967 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.030 8.620 -2.964 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.861 9.065 -1.278 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -10.673 8.379 -3.279 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -10.674 9.632 -2.054 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.409 7.217 -1.663 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -10.078 8.139 -0.332 1.00 0.00 H new ATOM 168 N GLN A 13 -14.192 5.628 -3.000 1.00 0.00 N ATOM 169 CA GLN A 13 -14.721 4.860 -4.149 1.00 0.00 C ATOM 170 C GLN A 13 -14.365 5.433 -5.546 1.00 0.00 C ATOM 171 O GLN A 13 -14.591 4.755 -6.548 1.00 0.00 O ATOM 172 CB GLN A 13 -16.253 4.862 -4.079 1.00 0.00 C ATOM 173 CG GLN A 13 -16.881 4.141 -2.876 1.00 0.00 C ATOM 174 CD GLN A 13 -18.404 4.148 -2.929 1.00 0.00 C ATOM 175 OE1 GLN A 13 -19.011 4.367 -3.961 1.00 0.00 O ATOM 176 NE2 GLN A 13 -19.079 3.855 -1.839 1.00 0.00 N ATOM 0 H GLN A 13 -14.914 5.848 -2.314 1.00 0.00 H new ATOM 0 HA GLN A 13 -14.264 3.874 -4.062 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -16.594 5.897 -4.073 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -16.638 4.405 -4.991 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -16.525 3.111 -2.846 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -16.549 4.620 -1.955 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -18.584 3.669 -0.967 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -20.098 3.814 -1.866 1.00 0.00 H new ATOM 185 N SER A 14 -13.913 6.691 -5.608 1.00 0.00 N ATOM 186 CA SER A 14 -13.393 7.384 -6.792 1.00 0.00 C ATOM 187 C SER A 14 -11.952 6.989 -7.133 1.00 0.00 C ATOM 188 O SER A 14 -11.630 6.855 -8.306 1.00 0.00 O ATOM 189 CB SER A 14 -13.427 8.897 -6.549 1.00 0.00 C ATOM 190 OG SER A 14 -13.336 9.589 -7.775 1.00 0.00 O ATOM 0 H SER A 14 -13.900 7.289 -4.782 1.00 0.00 H new ATOM 0 HA SER A 14 -14.028 7.094 -7.629 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.350 9.170 -6.037 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.603 9.187 -5.897 1.00 0.00 H new ATOM 0 HG SER A 14 -13.360 10.554 -7.608 1.00 0.00 H new ATOM 196 N ASP A 15 -11.102 6.818 -6.120 1.00 0.00 N ATOM 197 CA ASP A 15 -9.708 6.365 -6.237 1.00 0.00 C ATOM 198 C ASP A 15 -9.628 4.826 -6.242 1.00 0.00 C ATOM 199 O ASP A 15 -8.853 4.224 -6.977 1.00 0.00 O ATOM 200 CB ASP A 15 -8.939 6.947 -5.040 1.00 0.00 C ATOM 201 CG ASP A 15 -7.424 6.897 -5.204 1.00 0.00 C ATOM 202 OD1 ASP A 15 -6.934 7.558 -6.143 1.00 0.00 O ATOM 203 OD2 ASP A 15 -6.797 6.273 -4.320 1.00 0.00 O ATOM 0 H ASP A 15 -11.374 6.998 -5.153 1.00 0.00 H new ATOM 0 HA ASP A 15 -9.273 6.708 -7.176 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.246 7.982 -4.891 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.217 6.399 -4.140 1.00 0.00 H new ATOM 208 N CYS A 16 -10.483 4.172 -5.447 1.00 0.00 N ATOM 209 CA CYS A 16 -10.518 2.723 -5.289 1.00 0.00 C ATOM 210 C CYS A 16 -11.512 2.060 -6.268 1.00 0.00 C ATOM 211 O CYS A 16 -12.728 2.302 -6.152 1.00 0.00 O ATOM 212 CB CYS A 16 -10.899 2.410 -3.842 1.00 0.00 C ATOM 213 SG CYS A 16 -10.767 0.653 -3.461 1.00 0.00 S ATOM 0 H CYS A 16 -11.185 4.653 -4.884 1.00 0.00 H new ATOM 0 HA CYS A 16 -9.534 2.315 -5.521 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -10.253 2.974 -3.169 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -11.920 2.743 -3.658 1.00 0.00 H new ATOM 218 N PRO A 17 -11.056 1.208 -7.213 1.00 0.00 N ATOM 219 CA PRO A 17 -11.929 0.615 -8.224 1.00 0.00 C ATOM 220 C PRO A 17 -12.975 -0.313 -7.595 1.00 0.00 C ATOM 221 O PRO A 17 -12.744 -0.945 -6.562 1.00 0.00 O ATOM 222 CB PRO A 17 -11.003 -0.135 -9.190 1.00 0.00 C ATOM 223 CG PRO A 17 -9.778 -0.466 -8.345 1.00 0.00 C ATOM 224 CD PRO A 17 -9.693 0.706 -7.363 1.00 0.00 C ATOM 0 HA PRO A 17 -12.504 1.378 -8.748 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -11.476 -1.037 -9.577 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -10.740 0.481 -10.050 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -9.894 -1.417 -7.825 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.878 -0.544 -8.956 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -9.289 0.382 -6.404 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -9.030 1.484 -7.741 1.00 0.00 H new ATOM 232 N GLN A 18 -14.138 -0.444 -8.239 1.00 0.00 N ATOM 233 CA GLN A 18 -15.227 -1.299 -7.741 1.00 0.00 C ATOM 234 C GLN A 18 -14.816 -2.754 -7.454 1.00 0.00 C ATOM 235 O GLN A 18 -15.398 -3.368 -6.572 1.00 0.00 O ATOM 236 CB GLN A 18 -16.439 -1.252 -8.675 1.00 0.00 C ATOM 237 CG GLN A 18 -16.118 -1.789 -10.079 1.00 0.00 C ATOM 238 CD GLN A 18 -17.360 -2.067 -10.907 1.00 0.00 C ATOM 239 OE1 GLN A 18 -18.455 -1.611 -10.627 1.00 0.00 O ATOM 240 NE2 GLN A 18 -17.223 -2.833 -11.964 1.00 0.00 N ATOM 0 H GLN A 18 -14.354 0.034 -9.114 1.00 0.00 H new ATOM 0 HA GLN A 18 -15.500 -0.876 -6.774 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -17.251 -1.837 -8.242 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -16.794 -0.224 -8.754 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -15.493 -1.067 -10.604 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -15.537 -2.707 -9.987 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -16.308 -3.216 -12.201 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -18.032 -3.045 -12.548 1.00 0.00 H new ATOM 249 N GLU A 19 -13.813 -3.279 -8.164 1.00 0.00 N ATOM 250 CA GLU A 19 -13.258 -4.626 -7.960 1.00 0.00 C ATOM 251 C GLU A 19 -12.410 -4.757 -6.685 1.00 0.00 C ATOM 252 O GLU A 19 -12.175 -5.878 -6.220 1.00 0.00 O ATOM 253 CB GLU A 19 -12.435 -5.007 -9.205 1.00 0.00 C ATOM 254 CG GLU A 19 -10.998 -4.445 -9.213 1.00 0.00 C ATOM 255 CD GLU A 19 -10.255 -4.768 -10.514 1.00 0.00 C ATOM 256 OE1 GLU A 19 -10.897 -4.651 -11.583 1.00 0.00 O ATOM 257 OE2 GLU A 19 -9.066 -5.142 -10.424 1.00 0.00 O ATOM 0 H GLU A 19 -13.351 -2.768 -8.916 1.00 0.00 H new ATOM 0 HA GLU A 19 -14.093 -5.313 -7.822 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -12.388 -6.094 -9.276 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -12.957 -4.651 -10.094 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.032 -3.364 -9.075 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.444 -4.857 -8.369 1.00 0.00 H new ATOM 264 N ALA A 20 -11.945 -3.622 -6.162 1.00 0.00 N ATOM 265 CA ALA A 20 -11.113 -3.454 -4.981 1.00 0.00 C ATOM 266 C ALA A 20 -11.871 -2.977 -3.740 1.00 0.00 C ATOM 267 O ALA A 20 -11.370 -3.018 -2.618 1.00 0.00 O ATOM 268 CB ALA A 20 -10.071 -2.394 -5.307 1.00 0.00 C ATOM 0 H ALA A 20 -12.162 -2.724 -6.594 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.694 -4.432 -4.745 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.426 -2.240 -4.442 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.469 -2.724 -6.154 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.570 -1.458 -5.559 1.00 0.00 H new ATOM 274 N ARG A 21 -13.088 -2.459 -3.938 1.00 0.00 N ATOM 275 CA ARG A 21 -14.014 -2.122 -2.850 1.00 0.00 C ATOM 276 C ARG A 21 -14.370 -3.342 -1.994 1.00 0.00 C ATOM 277 O ARG A 21 -15.187 -4.167 -2.397 1.00 0.00 O ATOM 278 CB ARG A 21 -15.284 -1.497 -3.421 1.00 0.00 C ATOM 279 CG ARG A 21 -14.996 -0.192 -4.166 1.00 0.00 C ATOM 280 CD ARG A 21 -16.311 0.446 -4.599 1.00 0.00 C ATOM 281 NE ARG A 21 -16.087 1.512 -5.594 1.00 0.00 N ATOM 282 CZ ARG A 21 -16.996 1.993 -6.417 1.00 0.00 C ATOM 283 NH1 ARG A 21 -18.219 1.532 -6.429 1.00 0.00 N ATOM 284 NH2 ARG A 21 -16.703 2.958 -7.240 1.00 0.00 N ATOM 0 H ARG A 21 -13.462 -2.260 -4.866 1.00 0.00 H new ATOM 0 HA ARG A 21 -13.510 -1.405 -2.202 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -15.762 -2.204 -4.099 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.989 -1.305 -2.612 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.442 0.492 -3.523 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -14.370 -0.388 -5.037 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -16.966 -0.316 -5.021 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -16.821 0.859 -3.729 1.00 0.00 H new ATOM 0 HE ARG A 21 -15.149 1.910 -5.649 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -18.488 0.783 -5.791 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -18.905 1.922 -7.076 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -15.761 3.350 -7.252 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -17.415 3.322 -7.873 1.00 0.00 H new ATOM 298 N LEU A 22 -13.812 -3.434 -0.788 1.00 0.00 N ATOM 299 CA LEU A 22 -14.074 -4.557 0.114 1.00 0.00 C ATOM 300 C LEU A 22 -15.221 -4.251 1.090 1.00 0.00 C ATOM 301 O LEU A 22 -15.521 -3.093 1.392 1.00 0.00 O ATOM 302 CB LEU A 22 -12.818 -4.878 0.927 1.00 0.00 C ATOM 303 CG LEU A 22 -11.499 -5.098 0.165 1.00 0.00 C ATOM 304 CD1 LEU A 22 -10.292 -4.831 1.083 1.00 0.00 C ATOM 305 CD2 LEU A 22 -11.514 -6.498 -0.454 1.00 0.00 C ATOM 0 H LEU A 22 -13.170 -2.738 -0.409 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.359 -5.408 -0.505 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.662 -4.064 1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.019 -5.776 1.512 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.400 -4.385 -0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.369 -4.992 0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.326 -3.801 1.439 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.325 -5.511 1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.584 -6.666 -0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.613 -7.244 0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -12.356 -6.583 -1.141 1.00 0.00 H new ATOM 317 N SER A 23 -15.759 -5.305 1.704 1.00 0.00 N ATOM 318 CA SER A 23 -16.861 -5.272 2.675 1.00 0.00 C ATOM 319 C SER A 23 -16.423 -5.456 4.143 1.00 0.00 C ATOM 320 O SER A 23 -17.243 -5.806 4.987 1.00 0.00 O ATOM 321 CB SER A 23 -17.922 -6.293 2.248 1.00 0.00 C ATOM 322 OG SER A 23 -17.358 -7.586 2.165 1.00 0.00 O ATOM 0 H SER A 23 -15.424 -6.253 1.532 1.00 0.00 H new ATOM 0 HA SER A 23 -17.286 -4.268 2.660 1.00 0.00 H new ATOM 0 HB2 SER A 23 -18.744 -6.293 2.964 1.00 0.00 H new ATOM 0 HB3 SER A 23 -18.340 -6.009 1.282 1.00 0.00 H new ATOM 0 HG SER A 23 -18.048 -8.227 1.893 1.00 0.00 H new ATOM 328 N TYR A 24 -15.160 -5.181 4.499 1.00 0.00 N ATOM 329 CA TYR A 24 -14.615 -5.217 5.882 1.00 0.00 C ATOM 330 C TYR A 24 -15.160 -4.133 6.839 1.00 0.00 C ATOM 331 O TYR A 24 -14.649 -3.969 7.940 1.00 0.00 O ATOM 332 CB TYR A 24 -13.093 -5.044 5.836 1.00 0.00 C ATOM 333 CG TYR A 24 -12.328 -6.197 5.254 1.00 0.00 C ATOM 334 CD1 TYR A 24 -12.038 -7.340 6.020 1.00 0.00 C ATOM 335 CD2 TYR A 24 -11.882 -6.107 3.935 1.00 0.00 C ATOM 336 CE1 TYR A 24 -11.369 -8.423 5.425 1.00 0.00 C ATOM 337 CE2 TYR A 24 -11.232 -7.191 3.328 1.00 0.00 C ATOM 338 CZ TYR A 24 -11.002 -8.367 4.061 1.00 0.00 C ATOM 339 OH TYR A 24 -10.380 -9.415 3.467 1.00 0.00 O ATOM 0 H TYR A 24 -14.455 -4.916 3.811 1.00 0.00 H new ATOM 0 HA TYR A 24 -14.931 -6.183 6.275 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -12.864 -4.150 5.257 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -12.734 -4.868 6.850 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -12.328 -7.385 7.059 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -12.039 -5.195 3.377 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -11.135 -9.300 6.011 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -10.909 -7.122 2.300 1.00 0.00 H new ATOM 0 HH TYR A 24 -9.452 -9.173 3.266 1.00 0.00 H new ATOM 349 N GLY A 25 -16.106 -3.305 6.406 1.00 0.00 N ATOM 350 CA GLY A 25 -16.872 -2.336 7.212 1.00 0.00 C ATOM 351 C GLY A 25 -16.061 -1.611 8.290 1.00 0.00 C ATOM 352 O GLY A 25 -16.280 -1.753 9.485 1.00 0.00 O ATOM 0 H GLY A 25 -16.382 -3.285 5.424 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.307 -1.593 6.544 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -17.701 -2.858 7.691 1.00 0.00 H new ATOM 356 N GLY A 26 -15.086 -0.818 7.850 1.00 0.00 N ATOM 357 CA GLY A 26 -14.136 -0.172 8.750 1.00 0.00 C ATOM 358 C GLY A 26 -13.348 0.947 8.095 1.00 0.00 C ATOM 359 O GLY A 26 -12.219 1.191 8.505 1.00 0.00 O ATOM 0 H GLY A 26 -14.934 -0.607 6.864 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.675 0.228 9.609 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.441 -0.921 9.131 1.00 0.00 H new ATOM 363 N CYS A 27 -13.928 1.597 7.085 1.00 0.00 N ATOM 364 CA CYS A 27 -13.318 2.732 6.398 1.00 0.00 C ATOM 365 C CYS A 27 -14.268 3.917 6.277 1.00 0.00 C ATOM 366 O CYS A 27 -15.478 3.744 6.359 1.00 0.00 O ATOM 367 CB CYS A 27 -12.851 2.260 5.023 1.00 0.00 C ATOM 368 SG CYS A 27 -11.347 1.285 5.134 1.00 0.00 S ATOM 0 H CYS A 27 -14.846 1.345 6.718 1.00 0.00 H new ATOM 0 HA CYS A 27 -12.471 3.087 6.985 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -13.636 1.666 4.555 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -12.679 3.123 4.380 1.00 0.00 H new ATOM 373 N SER A 28 -13.703 5.101 6.013 1.00 0.00 N ATOM 374 CA SER A 28 -14.444 6.369 5.879 1.00 0.00 C ATOM 375 C SER A 28 -15.591 6.304 4.863 1.00 0.00 C ATOM 376 O SER A 28 -16.634 6.909 5.068 1.00 0.00 O ATOM 377 CB SER A 28 -13.467 7.478 5.473 1.00 0.00 C ATOM 378 OG SER A 28 -14.128 8.703 5.251 1.00 0.00 O ATOM 0 H SER A 28 -12.697 5.211 5.883 1.00 0.00 H new ATOM 0 HA SER A 28 -14.898 6.576 6.848 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.717 7.606 6.254 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.937 7.182 4.568 1.00 0.00 H new ATOM 0 HG SER A 28 -13.474 9.386 4.996 1.00 0.00 H new ATOM 384 N THR A 29 -15.392 5.567 3.770 1.00 0.00 N ATOM 385 CA THR A 29 -16.369 5.408 2.682 1.00 0.00 C ATOM 386 C THR A 29 -16.268 4.027 2.054 1.00 0.00 C ATOM 387 O THR A 29 -17.269 3.342 1.867 1.00 0.00 O ATOM 388 CB THR A 29 -16.185 6.513 1.626 1.00 0.00 C ATOM 389 OG1 THR A 29 -16.847 6.202 0.421 1.00 0.00 O ATOM 390 CG2 THR A 29 -14.737 6.784 1.224 1.00 0.00 C ATOM 0 H THR A 29 -14.528 5.050 3.609 1.00 0.00 H new ATOM 0 HA THR A 29 -17.369 5.505 3.105 1.00 0.00 H new ATOM 0 HB THR A 29 -16.599 7.390 2.124 1.00 0.00 H new ATOM 0 HG1 THR A 29 -16.709 6.926 -0.224 1.00 0.00 H new ATOM 0 HG21 THR A 29 -14.709 7.577 0.477 1.00 0.00 H new ATOM 0 HG22 THR A 29 -14.167 7.092 2.101 1.00 0.00 H new ATOM 0 HG23 THR A 29 -14.299 5.877 0.807 1.00 0.00 H new ATOM 398 N VAL A 30 -15.054 3.614 1.686 1.00 0.00 N ATOM 399 CA VAL A 30 -14.785 2.270 1.184 1.00 0.00 C ATOM 400 C VAL A 30 -13.387 1.792 1.586 1.00 0.00 C ATOM 401 O VAL A 30 -12.468 2.581 1.825 1.00 0.00 O ATOM 402 CB VAL A 30 -15.084 2.195 -0.318 1.00 0.00 C ATOM 403 CG1 VAL A 30 -14.162 3.035 -1.180 1.00 0.00 C ATOM 404 CG2 VAL A 30 -15.063 0.799 -0.903 1.00 0.00 C ATOM 0 H VAL A 30 -14.226 4.208 1.729 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.463 1.560 1.658 1.00 0.00 H new ATOM 0 HB VAL A 30 -16.099 2.592 -0.349 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -14.442 2.925 -2.228 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -14.247 4.082 -0.890 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -13.133 2.703 -1.043 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -15.285 0.848 -1.969 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -14.077 0.359 -0.758 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -15.812 0.184 -0.404 1.00 0.00 H new ATOM 414 N CYS A 31 -13.258 0.487 1.764 1.00 0.00 N ATOM 415 CA CYS A 31 -11.991 -0.188 2.003 1.00 0.00 C ATOM 416 C CYS A 31 -11.384 -0.587 0.658 1.00 0.00 C ATOM 417 O CYS A 31 -12.120 -1.083 -0.196 1.00 0.00 O ATOM 418 CB CYS A 31 -12.314 -1.426 2.833 1.00 0.00 C ATOM 419 SG CYS A 31 -11.002 -2.125 3.864 1.00 0.00 S ATOM 0 H CYS A 31 -14.054 -0.151 1.746 1.00 0.00 H new ATOM 0 HA CYS A 31 -11.276 0.448 2.525 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -13.155 -1.182 3.483 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -12.654 -2.206 2.151 1.00 0.00 H new ATOM 424 N CYS A 32 -10.077 -0.403 0.484 1.00 0.00 N ATOM 425 CA CYS A 32 -9.350 -0.790 -0.719 1.00 0.00 C ATOM 426 C CYS A 32 -8.327 -1.889 -0.419 1.00 0.00 C ATOM 427 O CYS A 32 -7.571 -1.830 0.558 1.00 0.00 O ATOM 428 CB CYS A 32 -8.693 0.449 -1.332 1.00 0.00 C ATOM 429 SG CYS A 32 -8.770 0.426 -3.134 1.00 0.00 S ATOM 0 H CYS A 32 -9.483 0.029 1.192 1.00 0.00 H new ATOM 0 HA CYS A 32 -10.049 -1.207 -1.444 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -9.188 1.345 -0.958 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -7.652 0.504 -1.013 1.00 0.00 H new ATOM 434 N ASP A 33 -8.306 -2.922 -1.252 1.00 0.00 N ATOM 435 CA ASP A 33 -7.443 -4.081 -1.093 1.00 0.00 C ATOM 436 C ASP A 33 -6.034 -3.844 -1.631 1.00 0.00 C ATOM 437 O ASP A 33 -5.661 -4.180 -2.757 1.00 0.00 O ATOM 438 CB ASP A 33 -8.074 -5.363 -1.629 1.00 0.00 C ATOM 439 CG ASP A 33 -8.856 -5.214 -2.930 1.00 0.00 C ATOM 440 OD1 ASP A 33 -8.502 -4.321 -3.713 1.00 0.00 O ATOM 441 OD2 ASP A 33 -9.753 -6.059 -3.169 1.00 0.00 O ATOM 0 H ASP A 33 -8.904 -2.976 -2.076 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.332 -4.230 -0.019 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.285 -6.100 -1.782 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.742 -5.765 -0.867 1.00 0.00 H new ATOM 446 N LEU A 34 -5.176 -3.353 -0.746 1.00 0.00 N ATOM 447 CA LEU A 34 -3.771 -3.072 -1.024 1.00 0.00 C ATOM 448 C LEU A 34 -3.014 -4.240 -1.684 1.00 0.00 C ATOM 449 O LEU A 34 -2.103 -3.995 -2.468 1.00 0.00 O ATOM 450 CB LEU A 34 -3.072 -2.734 0.291 1.00 0.00 C ATOM 451 CG LEU A 34 -3.668 -1.592 1.131 1.00 0.00 C ATOM 452 CD1 LEU A 34 -2.920 -1.585 2.455 1.00 0.00 C ATOM 453 CD2 LEU A 34 -3.574 -0.208 0.478 1.00 0.00 C ATOM 0 H LEU A 34 -5.445 -3.133 0.213 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.756 -2.243 -1.732 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.057 -3.634 0.906 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.035 -2.483 0.068 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.736 -1.779 1.246 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.309 -0.788 3.088 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.055 -2.544 2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.859 -1.418 2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.018 0.537 1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.528 0.041 0.302 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.110 -0.216 -0.471 1.00 0.00 H new ATOM 465 N SER A 35 -3.370 -5.489 -1.339 1.00 0.00 N ATOM 466 CA SER A 35 -2.796 -6.729 -1.894 1.00 0.00 C ATOM 467 C SER A 35 -3.334 -7.139 -3.268 1.00 0.00 C ATOM 468 O SER A 35 -2.812 -8.092 -3.850 1.00 0.00 O ATOM 469 CB SER A 35 -3.062 -7.913 -0.955 1.00 0.00 C ATOM 470 OG SER A 35 -2.232 -8.996 -1.333 1.00 0.00 O ATOM 0 H SER A 35 -4.091 -5.671 -0.641 1.00 0.00 H new ATOM 0 HA SER A 35 -1.736 -6.499 -2.000 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.861 -7.627 0.078 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.111 -8.206 -1.006 1.00 0.00 H new ATOM 0 HG SER A 35 -2.115 -8.995 -2.306 1.00 0.00 H new ATOM 476 N LYS A 36 -4.410 -6.511 -3.742 1.00 0.00 N ATOM 477 CA LYS A 36 -5.025 -6.758 -5.048 1.00 0.00 C ATOM 478 C LYS A 36 -4.620 -5.658 -6.031 1.00 0.00 C ATOM 479 O LYS A 36 -4.343 -5.970 -7.179 1.00 0.00 O ATOM 480 CB LYS A 36 -6.547 -6.814 -4.886 1.00 0.00 C ATOM 481 CG LYS A 36 -7.040 -7.902 -3.904 1.00 0.00 C ATOM 482 CD LYS A 36 -7.550 -9.202 -4.526 1.00 0.00 C ATOM 483 CE LYS A 36 -9.002 -9.074 -5.026 1.00 0.00 C ATOM 484 NZ LYS A 36 -9.131 -8.330 -6.306 1.00 0.00 N ATOM 0 H LYS A 36 -4.896 -5.790 -3.208 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.679 -7.712 -5.446 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.901 -5.842 -4.541 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.999 -6.990 -5.862 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.222 -8.146 -3.226 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.840 -7.477 -3.298 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.904 -9.483 -5.358 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.490 -10.004 -3.790 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.422 -10.072 -5.152 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.597 -8.572 -4.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.026 -8.588 -6.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.122 -7.308 -6.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.335 -8.573 -6.930 1.00 0.00 H new ATOM 498 N LEU A 37 -4.518 -4.410 -5.551 1.00 0.00 N ATOM 499 CA LEU A 37 -3.984 -3.256 -6.279 1.00 0.00 C ATOM 500 C LEU A 37 -2.484 -3.411 -6.570 1.00 0.00 C ATOM 501 O LEU A 37 -2.060 -3.251 -7.710 1.00 0.00 O ATOM 502 CB LEU A 37 -4.244 -1.966 -5.466 1.00 0.00 C ATOM 503 CG LEU A 37 -5.560 -1.248 -5.814 1.00 0.00 C ATOM 504 CD1 LEU A 37 -6.789 -2.120 -5.600 1.00 0.00 C ATOM 505 CD2 LEU A 37 -5.715 0.015 -4.964 1.00 0.00 C ATOM 0 H LEU A 37 -4.818 -4.170 -4.606 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.496 -3.193 -7.239 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.250 -2.215 -4.405 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.415 -1.277 -5.627 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.498 -1.002 -6.874 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.685 -1.557 -5.863 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.720 -3.007 -6.230 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.844 -2.421 -4.554 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.650 0.513 -5.220 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.726 -0.256 -3.908 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.880 0.688 -5.157 1.00 0.00 H new ATOM 517 N THR A 38 -1.663 -3.677 -5.545 1.00 0.00 N ATOM 518 CA THR A 38 -0.197 -3.758 -5.659 1.00 0.00 C ATOM 519 C THR A 38 0.370 -4.882 -4.782 1.00 0.00 C ATOM 520 O THR A 38 -0.358 -5.575 -4.072 1.00 0.00 O ATOM 521 CB THR A 38 0.471 -2.390 -5.363 1.00 0.00 C ATOM 522 OG1 THR A 38 0.206 -1.911 -4.056 1.00 0.00 O ATOM 523 CG2 THR A 38 0.024 -1.310 -6.348 1.00 0.00 C ATOM 0 H THR A 38 -2.002 -3.845 -4.598 1.00 0.00 H new ATOM 0 HA THR A 38 0.043 -4.010 -6.692 1.00 0.00 H new ATOM 0 HB THR A 38 1.539 -2.581 -5.465 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.653 -1.049 -3.927 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.516 -0.369 -6.104 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.293 -1.608 -7.361 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.056 -1.182 -6.282 1.00 0.00 H new ATOM 531 N GLY A 39 1.686 -5.088 -4.790 1.00 0.00 N ATOM 532 CA GLY A 39 2.380 -6.010 -3.900 1.00 0.00 C ATOM 533 C GLY A 39 2.900 -5.295 -2.656 1.00 0.00 C ATOM 534 O GLY A 39 2.560 -5.719 -1.553 1.00 0.00 O ATOM 0 H GLY A 39 2.313 -4.605 -5.433 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.704 -6.812 -3.605 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.212 -6.473 -4.430 1.00 0.00 H new ATOM 538 N CYS A 40 3.683 -4.217 -2.822 1.00 0.00 N ATOM 539 CA CYS A 40 4.405 -3.501 -1.754 1.00 0.00 C ATOM 540 C CYS A 40 3.502 -3.283 -0.537 1.00 0.00 C ATOM 541 O CYS A 40 3.738 -3.854 0.528 1.00 0.00 O ATOM 542 CB CYS A 40 4.966 -2.159 -2.271 1.00 0.00 C ATOM 543 SG CYS A 40 6.294 -1.413 -1.280 1.00 0.00 S ATOM 0 H CYS A 40 3.838 -3.802 -3.741 1.00 0.00 H new ATOM 0 HA CYS A 40 5.247 -4.120 -1.443 1.00 0.00 H new ATOM 0 HB2 CYS A 40 5.338 -2.310 -3.284 1.00 0.00 H new ATOM 0 HB3 CYS A 40 4.144 -1.446 -2.336 1.00 0.00 H new ATOM 548 N LYS A 41 2.409 -2.541 -0.729 1.00 0.00 N ATOM 549 CA LYS A 41 1.381 -2.266 0.281 1.00 0.00 C ATOM 550 C LYS A 41 0.767 -3.544 0.874 1.00 0.00 C ATOM 551 O LYS A 41 0.674 -3.662 2.088 1.00 0.00 O ATOM 552 CB LYS A 41 0.295 -1.360 -0.323 1.00 0.00 C ATOM 553 CG LYS A 41 0.751 0.013 -0.842 1.00 0.00 C ATOM 554 CD LYS A 41 1.130 0.932 0.327 1.00 0.00 C ATOM 555 CE LYS A 41 1.570 2.341 -0.071 1.00 0.00 C ATOM 556 NZ LYS A 41 0.466 3.151 -0.632 1.00 0.00 N ATOM 0 H LYS A 41 2.207 -2.098 -1.625 1.00 0.00 H new ATOM 0 HA LYS A 41 1.865 -1.752 1.112 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.176 -1.896 -1.147 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.474 -1.200 0.433 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.605 -0.109 -1.508 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.047 0.470 -1.427 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.275 1.011 0.998 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.936 0.462 0.891 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.979 2.849 0.802 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.373 2.272 -0.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.822 4.095 -0.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.090 2.684 -1.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.291 3.243 0.075 1.00 0.00 H new ATOM 570 N GLY A 42 0.396 -4.524 0.041 1.00 0.00 N ATOM 571 CA GLY A 42 -0.141 -5.820 0.480 1.00 0.00 C ATOM 572 C GLY A 42 0.778 -6.621 1.411 1.00 0.00 C ATOM 573 O GLY A 42 0.286 -7.381 2.238 1.00 0.00 O ATOM 0 H GLY A 42 0.461 -4.438 -0.973 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.090 -5.650 0.989 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.356 -6.424 -0.401 1.00 0.00 H new ATOM 577 N LYS A 43 2.105 -6.469 1.289 1.00 0.00 N ATOM 578 CA LYS A 43 3.093 -7.083 2.198 1.00 0.00 C ATOM 579 C LYS A 43 3.419 -6.239 3.446 1.00 0.00 C ATOM 580 O LYS A 43 4.341 -6.600 4.166 1.00 0.00 O ATOM 581 CB LYS A 43 4.373 -7.464 1.418 1.00 0.00 C ATOM 582 CG LYS A 43 4.158 -8.232 0.096 1.00 0.00 C ATOM 583 CD LYS A 43 3.261 -9.477 0.205 1.00 0.00 C ATOM 584 CE LYS A 43 2.597 -9.826 -1.135 1.00 0.00 C ATOM 585 NZ LYS A 43 3.519 -10.535 -2.056 1.00 0.00 N ATOM 0 H LYS A 43 2.530 -5.911 0.549 1.00 0.00 H new ATOM 0 HA LYS A 43 2.627 -7.987 2.589 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.926 -6.551 1.198 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.004 -8.070 2.068 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.722 -7.551 -0.635 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.130 -8.536 -0.292 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.856 -10.324 0.546 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.491 -9.305 0.957 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.721 -10.448 -0.952 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.244 -8.911 -1.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.025 -10.749 -2.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.343 -9.932 -2.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.836 -11.422 -1.615 1.00 0.00 H new ATOM 599 N GLY A 44 2.696 -5.143 3.701 1.00 0.00 N ATOM 600 CA GLY A 44 2.983 -4.194 4.787 1.00 0.00 C ATOM 601 C GLY A 44 4.087 -3.183 4.439 1.00 0.00 C ATOM 602 O GLY A 44 4.872 -2.772 5.295 1.00 0.00 O ATOM 0 H GLY A 44 1.879 -4.884 3.149 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.071 -3.653 5.037 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.277 -4.750 5.677 1.00 0.00 H new ATOM 606 N GLY A 45 4.175 -2.801 3.162 1.00 0.00 N ATOM 607 CA GLY A 45 5.100 -1.780 2.669 1.00 0.00 C ATOM 608 C GLY A 45 4.500 -0.379 2.653 1.00 0.00 C ATOM 609 O GLY A 45 3.282 -0.221 2.679 1.00 0.00 O ATOM 0 H GLY A 45 3.592 -3.202 2.427 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.994 -1.778 3.293 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.417 -2.044 1.660 1.00 0.00 H new ATOM 613 N GLU A 46 5.354 0.641 2.537 1.00 0.00 N ATOM 614 CA GLU A 46 4.961 2.053 2.477 1.00 0.00 C ATOM 615 C GLU A 46 5.971 2.915 1.692 1.00 0.00 C ATOM 616 O GLU A 46 7.177 2.637 1.661 1.00 0.00 O ATOM 617 CB GLU A 46 4.780 2.586 3.916 1.00 0.00 C ATOM 618 CG GLU A 46 4.034 3.929 3.988 1.00 0.00 C ATOM 619 CD GLU A 46 2.741 3.897 3.160 1.00 0.00 C ATOM 620 OE1 GLU A 46 1.749 3.277 3.599 1.00 0.00 O ATOM 621 OE2 GLU A 46 2.775 4.378 2.000 1.00 0.00 O ATOM 0 H GLU A 46 6.363 0.505 2.481 1.00 0.00 H new ATOM 0 HA GLU A 46 4.018 2.122 1.935 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.235 1.846 4.502 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.761 2.700 4.378 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.797 4.160 5.027 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.681 4.727 3.624 1.00 0.00 H new ATOM 628 N CYS A 47 5.503 4.007 1.080 1.00 0.00 N ATOM 629 CA CYS A 47 6.366 4.973 0.394 1.00 0.00 C ATOM 630 C CYS A 47 7.214 5.774 1.393 1.00 0.00 C ATOM 631 O CYS A 47 6.680 6.450 2.271 1.00 0.00 O ATOM 632 CB CYS A 47 5.515 5.936 -0.432 1.00 0.00 C ATOM 633 SG CYS A 47 4.884 5.297 -2.002 1.00 0.00 S ATOM 0 H CYS A 47 4.512 4.246 1.046 1.00 0.00 H new ATOM 0 HA CYS A 47 7.037 4.416 -0.259 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.667 6.251 0.176 1.00 0.00 H new ATOM 0 HB3 CYS A 47 6.108 6.827 -0.638 1.00 0.00 H new ATOM 638 N ASN A 48 8.539 5.709 1.262 1.00 0.00 N ATOM 639 CA ASN A 48 9.478 6.467 2.083 1.00 0.00 C ATOM 640 C ASN A 48 10.390 7.367 1.226 1.00 0.00 C ATOM 641 O ASN A 48 10.747 7.007 0.098 1.00 0.00 O ATOM 642 CB ASN A 48 10.270 5.491 2.970 1.00 0.00 C ATOM 643 CG ASN A 48 9.500 5.156 4.231 1.00 0.00 C ATOM 644 OD1 ASN A 48 9.793 5.655 5.305 1.00 0.00 O ATOM 645 ND2 ASN A 48 8.463 4.355 4.131 1.00 0.00 N ATOM 0 H ASN A 48 8.996 5.117 0.569 1.00 0.00 H new ATOM 0 HA ASN A 48 8.925 7.148 2.730 1.00 0.00 H new ATOM 0 HB2 ASN A 48 10.480 4.577 2.414 1.00 0.00 H new ATOM 0 HB3 ASN A 48 11.232 5.932 3.233 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.898 4.147 4.954 1.00 0.00 H new ATOM 0 HD22 ASN A 48 8.223 3.941 3.230 1.00 0.00 H new ATOM 652 N PRO A 49 10.809 8.531 1.759 1.00 0.00 N ATOM 653 CA PRO A 49 11.722 9.427 1.061 1.00 0.00 C ATOM 654 C PRO A 49 13.117 8.810 0.966 1.00 0.00 C ATOM 655 O PRO A 49 13.520 8.036 1.828 1.00 0.00 O ATOM 656 CB PRO A 49 11.741 10.714 1.892 1.00 0.00 C ATOM 657 CG PRO A 49 11.428 10.236 3.309 1.00 0.00 C ATOM 658 CD PRO A 49 10.505 9.037 3.090 1.00 0.00 C ATOM 0 HA PRO A 49 11.403 9.618 0.036 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.711 11.209 1.842 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.999 11.430 1.538 1.00 0.00 H new ATOM 0 HG2 PRO A 49 12.333 9.952 3.845 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.941 11.015 3.896 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.675 8.271 3.846 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.458 9.332 3.165 1.00 0.00 H new ATOM 666 N LEU A 50 13.891 9.238 -0.034 1.00 0.00 N ATOM 667 CA LEU A 50 15.256 8.750 -0.279 1.00 0.00 C ATOM 668 C LEU A 50 16.235 9.003 0.883 1.00 0.00 C ATOM 669 O LEU A 50 17.253 8.328 0.982 1.00 0.00 O ATOM 670 CB LEU A 50 15.820 9.383 -1.566 1.00 0.00 C ATOM 671 CG LEU A 50 14.894 9.393 -2.797 1.00 0.00 C ATOM 672 CD1 LEU A 50 15.670 9.877 -4.023 1.00 0.00 C ATOM 673 CD2 LEU A 50 14.323 8.014 -3.092 1.00 0.00 C ATOM 0 H LEU A 50 13.586 9.942 -0.706 1.00 0.00 H new ATOM 0 HA LEU A 50 15.169 7.668 -0.381 1.00 0.00 H new ATOM 0 HB2 LEU A 50 16.101 10.412 -1.344 1.00 0.00 H new ATOM 0 HB3 LEU A 50 16.735 8.853 -1.833 1.00 0.00 H new ATOM 0 HG LEU A 50 14.066 10.066 -2.575 1.00 0.00 H new ATOM 0 HD11 LEU A 50 15.011 9.883 -4.892 1.00 0.00 H new ATOM 0 HD12 LEU A 50 16.042 10.886 -3.843 1.00 0.00 H new ATOM 0 HD13 LEU A 50 16.510 9.208 -4.209 1.00 0.00 H new ATOM 0 HD21 LEU A 50 13.676 8.068 -3.968 1.00 0.00 H new ATOM 0 HD22 LEU A 50 15.138 7.316 -3.285 1.00 0.00 H new ATOM 0 HD23 LEU A 50 13.745 7.668 -2.235 1.00 0.00 H new ATOM 685 N ASP A 51 15.900 9.971 1.735 1.00 0.00 N ATOM 686 CA ASP A 51 16.584 10.372 2.967 1.00 0.00 C ATOM 687 C ASP A 51 16.371 9.370 4.126 1.00 0.00 C ATOM 688 O ASP A 51 17.141 9.308 5.082 1.00 0.00 O ATOM 689 CB ASP A 51 16.008 11.750 3.335 1.00 0.00 C ATOM 690 CG ASP A 51 16.997 12.610 4.108 1.00 0.00 C ATOM 691 OD1 ASP A 51 17.853 13.207 3.423 1.00 0.00 O ATOM 692 OD2 ASP A 51 16.833 12.708 5.344 1.00 0.00 O ATOM 0 H ASP A 51 15.073 10.544 1.568 1.00 0.00 H new ATOM 0 HA ASP A 51 17.661 10.400 2.805 1.00 0.00 H new ATOM 0 HB2 ASP A 51 15.713 12.271 2.424 1.00 0.00 H new ATOM 0 HB3 ASP A 51 15.106 11.615 3.932 1.00 0.00 H new ATOM 697 N ARG A 52 15.317 8.541 4.050 1.00 0.00 N ATOM 698 CA ARG A 52 15.007 7.507 5.043 1.00 0.00 C ATOM 699 C ARG A 52 15.712 6.198 4.695 1.00 0.00 C ATOM 700 O ARG A 52 15.440 5.583 3.668 1.00 0.00 O ATOM 701 CB ARG A 52 13.488 7.297 5.148 1.00 0.00 C ATOM 702 CG ARG A 52 13.099 6.593 6.459 1.00 0.00 C ATOM 703 CD ARG A 52 13.048 7.577 7.636 1.00 0.00 C ATOM 704 NE ARG A 52 11.855 8.443 7.563 1.00 0.00 N ATOM 705 CZ ARG A 52 11.670 9.582 8.212 1.00 0.00 C ATOM 706 NH1 ARG A 52 12.580 10.100 8.979 1.00 0.00 N ATOM 707 NH2 ARG A 52 10.533 10.215 8.113 1.00 0.00 N ATOM 0 H ARG A 52 14.646 8.574 3.282 1.00 0.00 H new ATOM 0 HA ARG A 52 15.373 7.842 6.014 1.00 0.00 H new ATOM 0 HB2 ARG A 52 12.983 8.261 5.089 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.143 6.704 4.301 1.00 0.00 H new ATOM 0 HG2 ARG A 52 12.126 6.115 6.341 1.00 0.00 H new ATOM 0 HG3 ARG A 52 13.818 5.803 6.676 1.00 0.00 H new ATOM 0 HD2 ARG A 52 13.041 7.023 8.575 1.00 0.00 H new ATOM 0 HD3 ARG A 52 13.947 8.193 7.636 1.00 0.00 H new ATOM 0 HE ARG A 52 11.099 8.133 6.953 1.00 0.00 H new ATOM 0 HH11 ARG A 52 13.476 9.627 9.098 1.00 0.00 H new ATOM 0 HH12 ARG A 52 12.399 10.980 9.462 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.785 9.832 7.535 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.392 11.092 8.614 1.00 0.00 H new ATOM 721 N GLN A 53 16.563 5.733 5.602 1.00 0.00 N ATOM 722 CA GLN A 53 17.135 4.389 5.546 1.00 0.00 C ATOM 723 C GLN A 53 16.037 3.313 5.669 1.00 0.00 C ATOM 724 O GLN A 53 15.348 3.230 6.685 1.00 0.00 O ATOM 725 CB GLN A 53 18.237 4.259 6.617 1.00 0.00 C ATOM 726 CG GLN A 53 17.724 4.264 8.070 1.00 0.00 C ATOM 727 CD GLN A 53 18.838 4.464 9.083 1.00 0.00 C ATOM 728 OE1 GLN A 53 19.230 5.568 9.409 1.00 0.00 O ATOM 729 NE2 GLN A 53 19.376 3.412 9.655 1.00 0.00 N ATOM 0 H GLN A 53 16.879 6.280 6.403 1.00 0.00 H new ATOM 0 HA GLN A 53 17.600 4.225 4.574 1.00 0.00 H new ATOM 0 HB2 GLN A 53 18.787 3.334 6.443 1.00 0.00 H new ATOM 0 HB3 GLN A 53 18.945 5.079 6.493 1.00 0.00 H new ATOM 0 HG2 GLN A 53 16.985 5.056 8.187 1.00 0.00 H new ATOM 0 HG3 GLN A 53 17.216 3.322 8.275 1.00 0.00 H new ATOM 0 HE21 GLN A 53 19.063 2.476 9.398 1.00 0.00 H new ATOM 0 HE22 GLN A 53 20.107 3.531 10.357 1.00 0.00 H new ATOM 738 N CYS A 54 15.859 2.481 4.644 1.00 0.00 N ATOM 739 CA CYS A 54 15.067 1.253 4.707 1.00 0.00 C ATOM 740 C CYS A 54 15.541 0.262 3.625 1.00 0.00 C ATOM 741 O CYS A 54 16.585 0.462 3.006 1.00 0.00 O ATOM 742 CB CYS A 54 13.572 1.615 4.617 1.00 0.00 C ATOM 743 SG CYS A 54 12.386 0.255 4.807 1.00 0.00 S ATOM 0 H CYS A 54 16.271 2.646 3.725 1.00 0.00 H new ATOM 0 HA CYS A 54 15.211 0.741 5.659 1.00 0.00 H new ATOM 0 HB2 CYS A 54 13.357 2.362 5.381 1.00 0.00 H new ATOM 0 HB3 CYS A 54 13.395 2.087 3.651 1.00 0.00 H new ATOM 748 N LYS A 55 14.828 -0.851 3.457 1.00 0.00 N ATOM 749 CA LYS A 55 14.936 -1.783 2.340 1.00 0.00 C ATOM 750 C LYS A 55 13.870 -1.477 1.299 1.00 0.00 C ATOM 751 O LYS A 55 12.700 -1.787 1.518 1.00 0.00 O ATOM 752 CB LYS A 55 14.784 -3.212 2.866 1.00 0.00 C ATOM 753 CG LYS A 55 15.094 -4.230 1.758 1.00 0.00 C ATOM 754 CD LYS A 55 15.324 -5.621 2.352 1.00 0.00 C ATOM 755 CE LYS A 55 16.706 -5.661 3.020 1.00 0.00 C ATOM 756 NZ LYS A 55 16.938 -6.945 3.719 1.00 0.00 N ATOM 0 H LYS A 55 14.122 -1.140 4.134 1.00 0.00 H new ATOM 0 HA LYS A 55 15.912 -1.678 1.866 1.00 0.00 H new ATOM 0 HB2 LYS A 55 15.456 -3.368 3.710 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.769 -3.364 3.234 1.00 0.00 H new ATOM 0 HG2 LYS A 55 14.268 -4.264 1.047 1.00 0.00 H new ATOM 0 HG3 LYS A 55 15.978 -3.915 1.204 1.00 0.00 H new ATOM 0 HD2 LYS A 55 14.547 -5.851 3.081 1.00 0.00 H new ATOM 0 HD3 LYS A 55 15.262 -6.378 1.570 1.00 0.00 H new ATOM 0 HE2 LYS A 55 17.479 -5.512 2.266 1.00 0.00 H new ATOM 0 HE3 LYS A 55 16.791 -4.839 3.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 17.881 -6.936 4.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 16.215 -7.075 4.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 16.882 -7.727 3.036 1.00 0.00 H new ATOM 770 N GLU A 56 14.279 -0.931 0.164 1.00 0.00 N ATOM 771 CA GLU A 56 13.400 -0.689 -0.975 1.00 0.00 C ATOM 772 C GLU A 56 13.649 -1.635 -2.155 1.00 0.00 C ATOM 773 O GLU A 56 14.777 -2.042 -2.443 1.00 0.00 O ATOM 774 CB GLU A 56 13.487 0.779 -1.400 1.00 0.00 C ATOM 775 CG GLU A 56 14.847 1.196 -2.003 1.00 0.00 C ATOM 776 CD GLU A 56 15.948 1.558 -1.000 1.00 0.00 C ATOM 777 OE1 GLU A 56 15.641 1.784 0.181 1.00 0.00 O ATOM 778 OE2 GLU A 56 17.094 1.789 -1.471 1.00 0.00 O ATOM 0 H GLU A 56 15.243 -0.639 0.004 1.00 0.00 H new ATOM 0 HA GLU A 56 12.384 -0.906 -0.645 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.704 0.979 -2.131 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.281 1.407 -0.533 1.00 0.00 H new ATOM 0 HG2 GLU A 56 15.209 0.381 -2.630 1.00 0.00 H new ATOM 0 HG3 GLU A 56 14.684 2.053 -2.657 1.00 0.00 H new ATOM 785 N LEU A 57 12.583 -1.951 -2.883 1.00 0.00 N ATOM 786 CA LEU A 57 12.582 -2.843 -4.036 1.00 0.00 C ATOM 787 C LEU A 57 12.327 -2.053 -5.314 1.00 0.00 C ATOM 788 O LEU A 57 11.288 -1.410 -5.458 1.00 0.00 O ATOM 789 CB LEU A 57 11.592 -4.005 -3.846 1.00 0.00 C ATOM 790 CG LEU A 57 10.215 -3.642 -3.272 1.00 0.00 C ATOM 791 CD1 LEU A 57 9.176 -4.657 -3.747 1.00 0.00 C ATOM 792 CD2 LEU A 57 10.190 -3.636 -1.738 1.00 0.00 C ATOM 0 H LEU A 57 11.657 -1.576 -2.676 1.00 0.00 H new ATOM 0 HA LEU A 57 13.568 -3.299 -4.128 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.443 -4.488 -4.812 1.00 0.00 H new ATOM 0 HB3 LEU A 57 12.053 -4.742 -3.188 1.00 0.00 H new ATOM 0 HG LEU A 57 9.990 -2.636 -3.626 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.200 -4.397 -3.338 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.128 -4.646 -4.836 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.458 -5.653 -3.406 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.191 -3.373 -1.391 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.454 -4.626 -1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.908 -2.905 -1.365 1.00 0.00 H new ATOM 804 N GLN A 58 13.273 -2.105 -6.250 1.00 0.00 N ATOM 805 CA GLN A 58 13.221 -1.340 -7.500 1.00 0.00 C ATOM 806 C GLN A 58 11.923 -1.614 -8.281 1.00 0.00 C ATOM 807 O GLN A 58 11.329 -0.686 -8.826 1.00 0.00 O ATOM 808 CB GLN A 58 14.467 -1.581 -8.369 1.00 0.00 C ATOM 809 CG GLN A 58 15.795 -1.398 -7.610 1.00 0.00 C ATOM 810 CD GLN A 58 16.201 -2.665 -6.862 1.00 0.00 C ATOM 811 OE1 GLN A 58 16.500 -3.687 -7.447 1.00 0.00 O ATOM 812 NE2 GLN A 58 16.160 -2.701 -5.547 1.00 0.00 N ATOM 0 H GLN A 58 14.107 -2.685 -6.163 1.00 0.00 H new ATOM 0 HA GLN A 58 13.218 -0.284 -7.229 1.00 0.00 H new ATOM 0 HB2 GLN A 58 14.427 -2.592 -8.774 1.00 0.00 H new ATOM 0 HB3 GLN A 58 14.446 -0.896 -9.217 1.00 0.00 H new ATOM 0 HG2 GLN A 58 16.581 -1.124 -8.314 1.00 0.00 H new ATOM 0 HG3 GLN A 58 15.699 -0.574 -6.903 1.00 0.00 H new ATOM 0 HE21 GLN A 58 15.913 -1.863 -5.021 1.00 0.00 H new ATOM 0 HE22 GLN A 58 16.375 -3.567 -5.054 1.00 0.00 H new ATOM 821 N ALA A 59 11.439 -2.859 -8.204 1.00 0.00 N ATOM 822 CA ALA A 59 10.206 -3.377 -8.795 1.00 0.00 C ATOM 823 C ALA A 59 8.944 -2.566 -8.425 1.00 0.00 C ATOM 824 O ALA A 59 8.091 -2.334 -9.271 1.00 0.00 O ATOM 825 CB ALA A 59 10.080 -4.851 -8.370 1.00 0.00 C ATOM 0 H ALA A 59 11.939 -3.583 -7.687 1.00 0.00 H new ATOM 0 HA ALA A 59 10.271 -3.285 -9.879 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.169 -5.275 -8.793 1.00 0.00 H new ATOM 0 HB2 ALA A 59 10.943 -5.409 -8.733 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.039 -4.914 -7.283 1.00 0.00 H new ATOM 831 N GLU A 60 8.844 -2.109 -7.171 1.00 0.00 N ATOM 832 CA GLU A 60 7.750 -1.261 -6.661 1.00 0.00 C ATOM 833 C GLU A 60 8.188 0.205 -6.459 1.00 0.00 C ATOM 834 O GLU A 60 7.349 1.094 -6.339 1.00 0.00 O ATOM 835 CB GLU A 60 7.231 -1.858 -5.344 1.00 0.00 C ATOM 836 CG GLU A 60 6.326 -3.101 -5.531 1.00 0.00 C ATOM 837 CD GLU A 60 4.820 -2.811 -5.711 1.00 0.00 C ATOM 838 OE1 GLU A 60 4.412 -1.640 -5.805 1.00 0.00 O ATOM 839 OE2 GLU A 60 4.039 -3.787 -5.563 1.00 0.00 O ATOM 0 H GLU A 60 9.541 -2.323 -6.458 1.00 0.00 H new ATOM 0 HA GLU A 60 6.954 -1.245 -7.405 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.082 -2.131 -4.720 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.673 -1.093 -4.805 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.677 -3.656 -6.401 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.451 -3.752 -4.666 1.00 0.00 H new ATOM 846 N SER A 61 9.492 0.509 -6.476 1.00 0.00 N ATOM 847 CA SER A 61 10.000 1.892 -6.404 1.00 0.00 C ATOM 848 C SER A 61 9.417 2.780 -7.512 1.00 0.00 C ATOM 849 O SER A 61 9.056 3.932 -7.272 1.00 0.00 O ATOM 850 CB SER A 61 11.535 1.927 -6.435 1.00 0.00 C ATOM 851 OG SER A 61 12.069 1.744 -7.736 1.00 0.00 O ATOM 0 H SER A 61 10.228 -0.195 -6.540 1.00 0.00 H new ATOM 0 HA SER A 61 9.667 2.298 -5.449 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.879 2.882 -6.039 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.924 1.150 -5.777 1.00 0.00 H new ATOM 0 HG SER A 61 11.710 0.919 -8.124 1.00 0.00 H new ATOM 857 N ALA A 62 9.248 2.204 -8.707 1.00 0.00 N ATOM 858 CA ALA A 62 8.599 2.818 -9.860 1.00 0.00 C ATOM 859 C ALA A 62 7.128 3.196 -9.605 1.00 0.00 C ATOM 860 O ALA A 62 6.671 4.194 -10.152 1.00 0.00 O ATOM 861 CB ALA A 62 8.738 1.859 -11.057 1.00 0.00 C ATOM 0 H ALA A 62 9.575 1.257 -8.901 1.00 0.00 H new ATOM 0 HA ALA A 62 9.097 3.764 -10.072 1.00 0.00 H new ATOM 0 HB1 ALA A 62 8.259 2.298 -11.932 1.00 0.00 H new ATOM 0 HB2 ALA A 62 9.794 1.690 -11.267 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.259 0.909 -10.820 1.00 0.00 H new ATOM 867 N SER A 63 6.414 2.432 -8.764 1.00 0.00 N ATOM 868 CA SER A 63 5.013 2.663 -8.391 1.00 0.00 C ATOM 869 C SER A 63 4.832 3.980 -7.633 1.00 0.00 C ATOM 870 O SER A 63 3.985 4.793 -7.990 1.00 0.00 O ATOM 871 CB SER A 63 4.507 1.497 -7.533 1.00 0.00 C ATOM 872 OG SER A 63 3.105 1.537 -7.444 1.00 0.00 O ATOM 0 H SER A 63 6.811 1.609 -8.311 1.00 0.00 H new ATOM 0 HA SER A 63 4.432 2.729 -9.311 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.825 0.550 -7.969 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.944 1.552 -6.536 1.00 0.00 H new ATOM 0 HG SER A 63 2.791 0.788 -6.896 1.00 0.00 H new ATOM 878 N CYS A 64 5.661 4.222 -6.609 1.00 0.00 N ATOM 879 CA CYS A 64 5.638 5.496 -5.880 1.00 0.00 C ATOM 880 C CYS A 64 6.123 6.691 -6.726 1.00 0.00 C ATOM 881 O CYS A 64 5.701 7.827 -6.515 1.00 0.00 O ATOM 882 CB CYS A 64 6.482 5.386 -4.608 1.00 0.00 C ATOM 883 SG CYS A 64 5.841 6.501 -3.335 1.00 0.00 S ATOM 0 H CYS A 64 6.353 3.555 -6.268 1.00 0.00 H new ATOM 0 HA CYS A 64 4.596 5.691 -5.627 1.00 0.00 H new ATOM 0 HB2 CYS A 64 6.470 4.359 -4.242 1.00 0.00 H new ATOM 0 HB3 CYS A 64 7.520 5.633 -4.829 1.00 0.00 H new ATOM 888 N GLY A 65 7.027 6.438 -7.676 1.00 0.00 N ATOM 889 CA GLY A 65 7.544 7.429 -8.618 1.00 0.00 C ATOM 890 C GLY A 65 8.956 7.919 -8.282 1.00 0.00 C ATOM 891 O GLY A 65 9.573 7.547 -7.281 1.00 0.00 O ATOM 0 H GLY A 65 7.430 5.511 -7.813 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.547 6.999 -9.619 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.868 8.284 -8.640 1.00 0.00 H new ATOM 895 N LYS A 66 9.508 8.775 -9.149 1.00 0.00 N ATOM 896 CA LYS A 66 10.858 9.338 -8.971 1.00 0.00 C ATOM 897 C LYS A 66 10.944 10.228 -7.729 1.00 0.00 C ATOM 898 O LYS A 66 10.157 11.157 -7.588 1.00 0.00 O ATOM 899 CB LYS A 66 11.279 10.155 -10.196 1.00 0.00 C ATOM 900 CG LYS A 66 11.490 9.287 -11.445 1.00 0.00 C ATOM 901 CD LYS A 66 12.384 9.970 -12.495 1.00 0.00 C ATOM 902 CE LYS A 66 11.676 10.989 -13.403 1.00 0.00 C ATOM 903 NZ LYS A 66 11.127 12.159 -12.668 1.00 0.00 N ATOM 0 H LYS A 66 9.036 9.099 -9.993 1.00 0.00 H new ATOM 0 HA LYS A 66 11.533 8.492 -8.845 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.518 10.906 -10.405 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.201 10.690 -9.971 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.940 8.338 -11.152 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.522 9.057 -11.891 1.00 0.00 H new ATOM 0 HD2 LYS A 66 13.201 10.475 -11.979 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.832 9.199 -13.123 1.00 0.00 H new ATOM 0 HE2 LYS A 66 12.379 11.342 -14.157 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.865 10.489 -13.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.054 12.971 -13.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.184 11.925 -12.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.759 12.401 -11.878 1.00 0.00 H new ATOM 917 N GLY A 67 11.962 9.997 -6.899 1.00 0.00 N ATOM 918 CA GLY A 67 12.182 10.726 -5.641 1.00 0.00 C ATOM 919 C GLY A 67 11.618 10.020 -4.403 1.00 0.00 C ATOM 920 O GLY A 67 11.675 10.571 -3.307 1.00 0.00 O ATOM 0 H GLY A 67 12.671 9.287 -7.082 1.00 0.00 H new ATOM 0 HA2 GLY A 67 13.253 10.878 -5.504 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.728 11.714 -5.721 1.00 0.00 H new ATOM 924 N GLN A 68 11.088 8.807 -4.559 1.00 0.00 N ATOM 925 CA GLN A 68 10.520 7.983 -3.497 1.00 0.00 C ATOM 926 C GLN A 68 11.049 6.548 -3.587 1.00 0.00 C ATOM 927 O GLN A 68 11.555 6.115 -4.624 1.00 0.00 O ATOM 928 CB GLN A 68 8.992 7.998 -3.638 1.00 0.00 C ATOM 929 CG GLN A 68 8.339 9.300 -3.145 1.00 0.00 C ATOM 930 CD GLN A 68 8.321 9.430 -1.623 1.00 0.00 C ATOM 931 OE1 GLN A 68 8.269 8.469 -0.875 1.00 0.00 O ATOM 932 NE2 GLN A 68 8.339 10.630 -1.092 1.00 0.00 N ATOM 0 H GLN A 68 11.042 8.353 -5.471 1.00 0.00 H new ATOM 0 HA GLN A 68 10.809 8.384 -2.525 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.731 7.845 -4.685 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.576 7.159 -3.080 1.00 0.00 H new ATOM 0 HG2 GLN A 68 8.874 10.150 -3.569 1.00 0.00 H new ATOM 0 HG3 GLN A 68 7.316 9.349 -3.519 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.382 11.453 -1.693 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.310 10.740 -0.078 1.00 0.00 H new ATOM 941 N LYS A 69 10.928 5.807 -2.486 1.00 0.00 N ATOM 942 CA LYS A 69 11.370 4.420 -2.328 1.00 0.00 C ATOM 943 C LYS A 69 10.328 3.602 -1.564 1.00 0.00 C ATOM 944 O LYS A 69 9.980 3.926 -0.433 1.00 0.00 O ATOM 945 CB LYS A 69 12.728 4.427 -1.614 1.00 0.00 C ATOM 946 CG LYS A 69 13.877 4.654 -2.605 1.00 0.00 C ATOM 947 CD LYS A 69 15.214 4.742 -1.853 1.00 0.00 C ATOM 948 CE LYS A 69 16.419 4.520 -2.773 1.00 0.00 C ATOM 949 NZ LYS A 69 17.660 4.384 -1.976 1.00 0.00 N ATOM 0 H LYS A 69 10.498 6.175 -1.638 1.00 0.00 H new ATOM 0 HA LYS A 69 11.482 3.946 -3.303 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.739 5.210 -0.856 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.874 3.479 -1.096 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.910 3.839 -3.328 1.00 0.00 H new ATOM 0 HG3 LYS A 69 13.706 5.572 -3.168 1.00 0.00 H new ATOM 0 HD2 LYS A 69 15.297 5.720 -1.380 1.00 0.00 H new ATOM 0 HD3 LYS A 69 15.228 4.000 -1.055 1.00 0.00 H new ATOM 0 HE2 LYS A 69 16.265 3.624 -3.374 1.00 0.00 H new ATOM 0 HE3 LYS A 69 16.514 5.356 -3.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 18.468 4.735 -2.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 17.573 4.939 -1.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 17.812 3.383 -1.738 1.00 0.00 H new ATOM 963 N CYS A 70 9.808 2.549 -2.194 1.00 0.00 N ATOM 964 CA CYS A 70 8.841 1.639 -1.560 1.00 0.00 C ATOM 965 C CYS A 70 9.539 0.746 -0.525 1.00 0.00 C ATOM 966 O CYS A 70 10.115 -0.284 -0.880 1.00 0.00 O ATOM 967 CB CYS A 70 8.044 0.822 -2.593 1.00 0.00 C ATOM 968 SG CYS A 70 6.358 0.496 -1.991 1.00 0.00 S ATOM 0 H CYS A 70 10.041 2.299 -3.155 1.00 0.00 H new ATOM 0 HA CYS A 70 8.108 2.249 -1.032 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.000 1.364 -3.538 1.00 0.00 H new ATOM 0 HB3 CYS A 70 8.554 -0.121 -2.790 1.00 0.00 H new ATOM 973 N CYS A 71 9.553 1.201 0.724 1.00 0.00 N ATOM 974 CA CYS A 71 10.112 0.512 1.878 1.00 0.00 C ATOM 975 C CYS A 71 9.130 -0.547 2.406 1.00 0.00 C ATOM 976 O CYS A 71 7.927 -0.481 2.153 1.00 0.00 O ATOM 977 CB CYS A 71 10.431 1.609 2.904 1.00 0.00 C ATOM 978 SG CYS A 71 10.593 1.164 4.645 1.00 0.00 S ATOM 0 H CYS A 71 9.154 2.107 0.969 1.00 0.00 H new ATOM 0 HA CYS A 71 11.018 -0.043 1.635 1.00 0.00 H new ATOM 0 HB2 CYS A 71 11.364 2.083 2.598 1.00 0.00 H new ATOM 0 HB3 CYS A 71 9.649 2.365 2.830 1.00 0.00 H new ATOM 983 N VAL A 72 9.632 -1.515 3.173 1.00 0.00 N ATOM 984 CA VAL A 72 8.820 -2.521 3.865 1.00 0.00 C ATOM 985 C VAL A 72 9.266 -2.681 5.312 1.00 0.00 C ATOM 986 O VAL A 72 10.461 -2.642 5.616 1.00 0.00 O ATOM 987 CB VAL A 72 8.819 -3.847 3.084 1.00 0.00 C ATOM 988 CG1 VAL A 72 10.187 -4.541 3.109 1.00 0.00 C ATOM 989 CG2 VAL A 72 7.757 -4.831 3.584 1.00 0.00 C ATOM 0 H VAL A 72 10.633 -1.626 3.335 1.00 0.00 H new ATOM 0 HA VAL A 72 7.786 -2.178 3.901 1.00 0.00 H new ATOM 0 HB VAL A 72 8.579 -3.566 2.059 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.133 -5.472 2.544 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.935 -3.887 2.661 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.466 -4.758 4.140 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.804 -5.747 2.996 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.941 -5.063 4.633 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.769 -4.383 3.480 1.00 0.00 H new ATOM 999 N TRP A 73 8.290 -2.895 6.188 1.00 0.00 N ATOM 1000 CA TRP A 73 8.499 -3.118 7.612 1.00 0.00 C ATOM 1001 C TRP A 73 8.189 -4.579 7.975 1.00 0.00 C ATOM 1002 O TRP A 73 7.861 -5.405 7.119 1.00 0.00 O ATOM 1003 CB TRP A 73 7.667 -2.092 8.402 1.00 0.00 C ATOM 1004 CG TRP A 73 7.732 -0.676 7.895 1.00 0.00 C ATOM 1005 CD1 TRP A 73 6.729 -0.042 7.246 1.00 0.00 C ATOM 1006 CD2 TRP A 73 8.846 0.273 7.926 1.00 0.00 C ATOM 1007 NE1 TRP A 73 7.127 1.237 6.906 1.00 0.00 N ATOM 1008 CE2 TRP A 73 8.417 1.493 7.324 1.00 0.00 C ATOM 1009 CE3 TRP A 73 10.182 0.226 8.387 1.00 0.00 C ATOM 1010 CZ2 TRP A 73 9.254 2.617 7.217 1.00 0.00 C ATOM 1011 CZ3 TRP A 73 11.043 1.334 8.253 1.00 0.00 C ATOM 1012 CH2 TRP A 73 10.580 2.530 7.674 1.00 0.00 C ATOM 0 H TRP A 73 7.306 -2.919 5.919 1.00 0.00 H new ATOM 0 HA TRP A 73 9.544 -2.964 7.881 1.00 0.00 H new ATOM 0 HB2 TRP A 73 6.626 -2.414 8.397 1.00 0.00 H new ATOM 0 HB3 TRP A 73 7.999 -2.103 9.440 1.00 0.00 H new ATOM 0 HD1 TRP A 73 5.762 -0.471 7.026 1.00 0.00 H new ATOM 0 HE1 TRP A 73 6.541 1.907 6.409 1.00 0.00 H new ATOM 0 HE3 TRP A 73 10.550 -0.677 8.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 8.883 3.536 6.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 12.064 1.265 8.597 1.00 0.00 H new ATOM 0 HH2 TRP A 73 11.242 3.378 7.581 1.00 0.00 H new ATOM 1023 N LEU A 74 8.354 -4.928 9.247 1.00 0.00 N ATOM 1024 CA LEU A 74 7.825 -6.183 9.781 1.00 0.00 C ATOM 1025 C LEU A 74 6.293 -6.268 9.616 1.00 0.00 C ATOM 1026 O LEU A 74 5.605 -5.252 9.685 1.00 0.00 O ATOM 1027 CB LEU A 74 8.277 -6.402 11.242 1.00 0.00 C ATOM 1028 CG LEU A 74 7.547 -5.575 12.329 1.00 0.00 C ATOM 1029 CD1 LEU A 74 7.753 -6.217 13.703 1.00 0.00 C ATOM 1030 CD2 LEU A 74 8.064 -4.136 12.409 1.00 0.00 C ATOM 0 H LEU A 74 8.852 -4.358 9.931 1.00 0.00 H new ATOM 0 HA LEU A 74 8.244 -7.001 9.195 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.156 -7.459 11.480 1.00 0.00 H new ATOM 0 HB3 LEU A 74 9.342 -6.181 11.305 1.00 0.00 H new ATOM 0 HG LEU A 74 6.493 -5.560 12.052 1.00 0.00 H new ATOM 0 HD11 LEU A 74 7.236 -5.628 14.461 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.352 -7.231 13.695 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.818 -6.250 13.933 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.521 -3.597 13.185 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.127 -4.144 12.649 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.912 -3.641 11.450 1.00 0.00 H new ATOM 1042 N HIS A 75 5.795 -7.497 9.438 1.00 0.00 N ATOM 1043 CA HIS A 75 4.364 -7.836 9.473 1.00 0.00 C ATOM 1044 C HIS A 75 3.710 -7.541 10.834 1.00 0.00 C ATOM 1045 O HIS A 75 2.463 -7.506 10.845 1.00 0.00 O ATOM 1046 CB HIS A 75 4.154 -9.321 9.092 1.00 0.00 C ATOM 1047 CG HIS A 75 4.238 -10.272 10.271 1.00 0.00 C ATOM 1048 ND1 HIS A 75 3.256 -10.426 11.211 1.00 0.00 N flip ATOM 1049 CD2 HIS A 75 5.371 -10.908 10.737 1.00 0.00 C flip ATOM 1050 CE1 HIS A 75 3.802 -11.133 12.261 1.00 0.00 C flip ATOM 1051 NE2 HIS A 75 5.084 -11.421 11.953 1.00 0.00 N flip ATOM 1052 OXT HIS A 75 4.427 -7.655 11.859 1.00 0.00 O ATOM 0 H HIS A 75 6.390 -8.306 9.261 1.00 0.00 H new ATOM 0 HA HIS A 75 3.873 -7.195 8.740 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.179 -9.430 8.617 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.902 -9.606 8.353 1.00 0.00 H new ATOM 0 HD2 HIS A 75 6.317 -10.982 10.222 1.00 0.00 H new ATOM 0 HE1 HIS A 75 3.292 -11.409 13.172 1.00 0.00 H new ATOM 0 HE2 HIS A 75 5.732 -11.942 12.544 1.00 0.00 H new TER 1061 HIS A 75