USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=13 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= 0.00506 X(o=0.0051,f=-0.17) USER MOD Single : A 1 ASN N :NH3+ 169:sc= 0.0455 (180deg=-0.0788) 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 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 180:sc=-0.00701 USER MOD Single : A 18 GLN : amide:sc= -0.688 K(o=-0.69,f=-1.3) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.217 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 120:sc= -0.0081 USER MOD Single : A 41 LYS NZ :NH3+ 146:sc= -0.23 (180deg=-1.46!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0.768 K(o=0.77,f=-3.5!) USER MOD Single : A 53 GLN : amide:sc= -0.463 X(o=-0.46,f=-0.55) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot -54:sc= 0.694 USER MOD Single : A 63 SER OG : rot -150:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.35 F(o=-1.4,f=-0.35) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= 0.00696 K(o=0.007,f=-0.56) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -14.737 -0.044 12.805 1.00 0.00 N ATOM 2 CA ASN A 1 -13.987 -0.097 11.527 1.00 0.00 C ATOM 3 C ASN A 1 -13.480 -1.504 11.285 1.00 0.00 C ATOM 4 O ASN A 1 -13.004 -2.134 12.222 1.00 0.00 O ATOM 5 CB ASN A 1 -12.747 0.820 11.506 1.00 0.00 C ATOM 6 CG ASN A 1 -12.058 0.906 12.866 1.00 0.00 C ATOM 7 OD1 ASN A 1 -12.042 1.951 13.475 1.00 0.00 O ATOM 8 ND2 ASN A 1 -11.567 -0.174 13.435 1.00 0.00 N ATOM 0 H1 ASN A 1 -14.921 0.948 13.059 1.00 0.00 H new ATOM 0 H2 ASN A 1 -15.641 -0.547 12.698 1.00 0.00 H new ATOM 0 H3 ASN A 1 -14.176 -0.495 13.556 1.00 0.00 H new ATOM 0 HA ASN A 1 -14.690 0.234 10.762 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -12.038 0.449 10.766 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -13.044 1.820 11.189 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -11.180 -0.123 14.377 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -11.574 -1.062 12.934 1.00 0.00 H new ATOM 17 N GLU A 2 -13.429 -1.931 10.024 1.00 0.00 N ATOM 18 CA GLU A 2 -13.099 -3.323 9.682 1.00 0.00 C ATOM 19 C GLU A 2 -11.867 -3.397 8.772 1.00 0.00 C ATOM 20 O GLU A 2 -10.978 -4.214 8.984 1.00 0.00 O ATOM 21 CB GLU A 2 -14.286 -3.996 8.982 1.00 0.00 C ATOM 22 CG GLU A 2 -15.684 -3.596 9.483 1.00 0.00 C ATOM 23 CD GLU A 2 -15.783 -3.572 11.017 1.00 0.00 C ATOM 24 OE1 GLU A 2 -15.352 -4.570 11.631 1.00 0.00 O ATOM 25 OE2 GLU A 2 -16.102 -2.481 11.568 1.00 0.00 O ATOM 0 H GLU A 2 -13.612 -1.335 9.217 1.00 0.00 H new ATOM 0 HA GLU A 2 -12.877 -3.846 10.612 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -14.227 -3.773 7.917 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -14.180 -5.076 9.088 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -15.937 -2.611 9.092 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -16.421 -4.295 9.087 1.00 0.00 H new ATOM 32 N CYS A 3 -11.758 -2.495 7.785 1.00 0.00 N ATOM 33 CA CYS A 3 -10.612 -2.412 6.864 1.00 0.00 C ATOM 34 C CYS A 3 -9.282 -2.381 7.636 1.00 0.00 C ATOM 35 O CYS A 3 -8.408 -3.225 7.427 1.00 0.00 O ATOM 36 CB CYS A 3 -10.798 -1.219 5.896 1.00 0.00 C ATOM 37 SG CYS A 3 -12.246 -1.601 4.898 1.00 0.00 S ATOM 0 H CYS A 3 -12.474 -1.792 7.601 1.00 0.00 H new ATOM 0 HA CYS A 3 -10.571 -3.311 6.250 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -10.940 -0.289 6.447 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -9.917 -1.086 5.268 1.00 0.00 H new ATOM 42 N VAL A 4 -9.182 -1.476 8.616 1.00 0.00 N ATOM 43 CA VAL A 4 -8.022 -1.351 9.510 1.00 0.00 C ATOM 44 C VAL A 4 -7.734 -2.627 10.313 1.00 0.00 C ATOM 45 O VAL A 4 -6.575 -2.955 10.529 1.00 0.00 O ATOM 46 CB VAL A 4 -8.211 -0.137 10.438 1.00 0.00 C ATOM 47 CG1 VAL A 4 -9.042 -0.424 11.689 1.00 0.00 C ATOM 48 CG2 VAL A 4 -6.861 0.434 10.857 1.00 0.00 C ATOM 0 H VAL A 4 -9.917 -0.797 8.815 1.00 0.00 H new ATOM 0 HA VAL A 4 -7.144 -1.196 8.883 1.00 0.00 H new ATOM 0 HB VAL A 4 -8.771 0.588 9.847 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.126 0.484 12.286 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -10.037 -0.759 11.396 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -8.556 -1.202 12.278 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -7.016 1.291 11.512 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -6.292 -0.330 11.387 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -6.309 0.749 9.972 1.00 0.00 H new ATOM 58 N SER A 5 -8.780 -3.388 10.664 1.00 0.00 N ATOM 59 CA SER A 5 -8.706 -4.665 11.389 1.00 0.00 C ATOM 60 C SER A 5 -8.040 -5.747 10.541 1.00 0.00 C ATOM 61 O SER A 5 -7.368 -6.636 11.059 1.00 0.00 O ATOM 62 CB SER A 5 -10.117 -5.127 11.790 1.00 0.00 C ATOM 63 OG SER A 5 -10.052 -6.077 12.827 1.00 0.00 O ATOM 0 H SER A 5 -9.739 -3.121 10.442 1.00 0.00 H new ATOM 0 HA SER A 5 -8.103 -4.506 12.283 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.708 -4.270 12.112 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.624 -5.558 10.926 1.00 0.00 H new ATOM 0 HG SER A 5 -10.959 -6.358 13.070 1.00 0.00 H new ATOM 69 N LYS A 6 -8.166 -5.653 9.208 1.00 0.00 N ATOM 70 CA LYS A 6 -7.449 -6.531 8.284 1.00 0.00 C ATOM 71 C LYS A 6 -6.131 -5.956 7.772 1.00 0.00 C ATOM 72 O LYS A 6 -5.393 -6.667 7.096 1.00 0.00 O ATOM 73 CB LYS A 6 -8.381 -6.892 7.129 1.00 0.00 C ATOM 74 CG LYS A 6 -9.331 -8.030 7.479 1.00 0.00 C ATOM 75 CD LYS A 6 -8.602 -9.378 7.528 1.00 0.00 C ATOM 76 CE LYS A 6 -9.388 -10.349 8.404 1.00 0.00 C ATOM 77 NZ LYS A 6 -8.604 -11.585 8.633 1.00 0.00 N ATOM 0 H LYS A 6 -8.766 -4.969 8.747 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.163 -7.425 8.839 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.961 -6.013 6.846 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.786 -7.174 6.261 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.797 -7.832 8.444 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.133 -8.076 6.742 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.496 -9.783 6.522 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.596 -9.245 7.926 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.625 -9.878 9.358 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.336 -10.595 7.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.151 -12.237 9.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.400 -12.040 7.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.710 -11.346 9.109 1.00 0.00 H new ATOM 91 N GLY A 7 -5.822 -4.706 8.108 1.00 0.00 N ATOM 92 CA GLY A 7 -4.614 -4.032 7.646 1.00 0.00 C ATOM 93 C GLY A 7 -4.734 -3.508 6.213 1.00 0.00 C ATOM 94 O GLY A 7 -3.758 -3.607 5.473 1.00 0.00 O ATOM 0 H GLY A 7 -6.407 -4.130 8.713 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.390 -3.200 8.314 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.773 -4.723 7.705 1.00 0.00 H new ATOM 98 N PHE A 8 -5.913 -3.005 5.817 1.00 0.00 N ATOM 99 CA PHE A 8 -6.199 -2.345 4.535 1.00 0.00 C ATOM 100 C PHE A 8 -6.180 -0.816 4.653 1.00 0.00 C ATOM 101 O PHE A 8 -6.347 -0.275 5.745 1.00 0.00 O ATOM 102 CB PHE A 8 -7.564 -2.810 4.010 1.00 0.00 C ATOM 103 CG PHE A 8 -7.594 -4.277 3.657 1.00 0.00 C ATOM 104 CD1 PHE A 8 -6.687 -4.794 2.715 1.00 0.00 C ATOM 105 CD2 PHE A 8 -8.507 -5.135 4.280 1.00 0.00 C ATOM 106 CE1 PHE A 8 -6.714 -6.154 2.360 1.00 0.00 C ATOM 107 CE2 PHE A 8 -8.492 -6.502 3.968 1.00 0.00 C ATOM 108 CZ PHE A 8 -7.615 -7.017 3.002 1.00 0.00 C ATOM 0 H PHE A 8 -6.737 -3.051 6.416 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.412 -2.627 3.835 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -8.325 -2.608 4.764 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -7.826 -2.225 3.129 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -5.961 -4.138 2.258 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -9.217 -4.748 4.995 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -6.047 -6.531 1.599 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.168 -7.170 4.481 1.00 0.00 H new ATOM 0 HZ PHE A 8 -7.633 -8.068 2.755 1.00 0.00 H new ATOM 118 N GLY A 9 -6.047 -0.130 3.515 1.00 0.00 N ATOM 119 CA GLY A 9 -6.009 1.332 3.432 1.00 0.00 C ATOM 120 C GLY A 9 -7.205 1.881 2.654 1.00 0.00 C ATOM 121 O GLY A 9 -7.524 1.402 1.568 1.00 0.00 O ATOM 0 H GLY A 9 -5.961 -0.585 2.606 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -6.003 1.754 4.437 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.084 1.646 2.948 1.00 0.00 H new ATOM 125 N CYS A 10 -7.899 2.873 3.213 1.00 0.00 N ATOM 126 CA CYS A 10 -8.970 3.582 2.512 1.00 0.00 C ATOM 127 C CYS A 10 -8.438 4.438 1.387 1.00 0.00 C ATOM 128 O CYS A 10 -7.535 5.226 1.639 1.00 0.00 O ATOM 129 CB CYS A 10 -9.670 4.556 3.464 1.00 0.00 C ATOM 130 SG CYS A 10 -10.331 3.804 4.942 1.00 0.00 S ATOM 0 H CYS A 10 -7.735 3.207 4.163 1.00 0.00 H new ATOM 0 HA CYS A 10 -9.642 2.813 2.131 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -8.962 5.333 3.753 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.482 5.047 2.928 1.00 0.00 H new ATOM 135 N LEU A 11 -9.065 4.382 0.213 1.00 0.00 N ATOM 136 CA LEU A 11 -8.697 5.231 -0.915 1.00 0.00 C ATOM 137 C LEU A 11 -9.931 5.619 -1.735 1.00 0.00 C ATOM 138 O LEU A 11 -10.937 4.919 -1.692 1.00 0.00 O ATOM 139 CB LEU A 11 -7.664 4.484 -1.776 1.00 0.00 C ATOM 140 CG LEU A 11 -6.248 4.411 -1.164 1.00 0.00 C ATOM 141 CD1 LEU A 11 -5.334 3.599 -2.079 1.00 0.00 C ATOM 142 CD2 LEU A 11 -5.684 5.819 -0.959 1.00 0.00 C ATOM 0 H LEU A 11 -9.840 3.748 0.019 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.257 6.158 -0.548 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.022 3.470 -1.951 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.600 4.972 -2.749 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.305 3.920 -0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.336 3.549 -1.645 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.732 2.590 -2.189 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.281 4.077 -3.057 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.686 5.752 -0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.630 6.333 -1.919 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.334 6.377 -0.285 1.00 0.00 H new ATOM 154 N PRO A 12 -9.905 6.730 -2.484 1.00 0.00 N ATOM 155 CA PRO A 12 -10.997 7.095 -3.376 1.00 0.00 C ATOM 156 C PRO A 12 -11.104 6.095 -4.522 1.00 0.00 C ATOM 157 O PRO A 12 -10.105 5.700 -5.099 1.00 0.00 O ATOM 158 CB PRO A 12 -10.673 8.518 -3.847 1.00 0.00 C ATOM 159 CG PRO A 12 -9.155 8.604 -3.735 1.00 0.00 C ATOM 160 CD PRO A 12 -8.807 7.676 -2.575 1.00 0.00 C ATOM 0 HA PRO A 12 -11.971 7.072 -2.888 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -11.008 8.686 -4.870 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -11.163 9.266 -3.224 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.670 8.286 -4.658 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -8.828 9.625 -3.539 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -7.862 7.163 -2.754 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -8.695 8.236 -1.646 1.00 0.00 H new ATOM 168 N GLN A 13 -12.322 5.726 -4.920 1.00 0.00 N ATOM 169 CA GLN A 13 -12.608 4.868 -6.086 1.00 0.00 C ATOM 170 C GLN A 13 -11.900 5.291 -7.386 1.00 0.00 C ATOM 171 O GLN A 13 -11.795 4.492 -8.313 1.00 0.00 O ATOM 172 CB GLN A 13 -14.119 4.861 -6.382 1.00 0.00 C ATOM 173 CG GLN A 13 -14.854 6.140 -5.977 1.00 0.00 C ATOM 174 CD GLN A 13 -16.203 6.216 -6.667 1.00 0.00 C ATOM 175 OE1 GLN A 13 -16.360 6.815 -7.712 1.00 0.00 O ATOM 176 NE2 GLN A 13 -17.219 5.575 -6.141 1.00 0.00 N ATOM 0 H GLN A 13 -13.166 6.021 -4.430 1.00 0.00 H new ATOM 0 HA GLN A 13 -12.230 3.886 -5.802 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -14.266 4.696 -7.449 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -14.573 4.017 -5.863 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -14.990 6.162 -4.896 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -14.254 7.011 -6.241 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -17.103 5.067 -5.264 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -18.125 5.584 -6.609 1.00 0.00 H new ATOM 185 N SER A 14 -11.526 6.563 -7.495 1.00 0.00 N ATOM 186 CA SER A 14 -10.721 7.100 -8.586 1.00 0.00 C ATOM 187 C SER A 14 -9.260 6.626 -8.534 1.00 0.00 C ATOM 188 O SER A 14 -8.717 6.254 -9.564 1.00 0.00 O ATOM 189 CB SER A 14 -10.834 8.629 -8.568 1.00 0.00 C ATOM 190 OG SER A 14 -9.916 9.234 -7.677 1.00 0.00 O ATOM 0 H SER A 14 -11.783 7.269 -6.805 1.00 0.00 H new ATOM 0 HA SER A 14 -11.108 6.718 -9.531 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.665 9.014 -9.574 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.848 8.911 -8.285 1.00 0.00 H new ATOM 0 HG SER A 14 -10.027 10.207 -7.704 1.00 0.00 H new ATOM 196 N ASP A 15 -8.641 6.644 -7.348 1.00 0.00 N ATOM 197 CA ASP A 15 -7.267 6.191 -7.085 1.00 0.00 C ATOM 198 C ASP A 15 -7.185 4.659 -6.961 1.00 0.00 C ATOM 199 O ASP A 15 -6.304 4.020 -7.524 1.00 0.00 O ATOM 200 CB ASP A 15 -6.783 6.854 -5.788 1.00 0.00 C ATOM 201 CG ASP A 15 -5.290 6.676 -5.569 1.00 0.00 C ATOM 202 OD1 ASP A 15 -4.536 7.265 -6.376 1.00 0.00 O ATOM 203 OD2 ASP A 15 -4.945 6.034 -4.556 1.00 0.00 O ATOM 0 H ASP A 15 -9.103 6.990 -6.507 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.632 6.478 -7.923 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.019 7.918 -5.817 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.325 6.430 -4.942 1.00 0.00 H new ATOM 208 N CYS A 16 -8.155 4.061 -6.266 1.00 0.00 N ATOM 209 CA CYS A 16 -8.242 2.627 -6.038 1.00 0.00 C ATOM 210 C CYS A 16 -9.040 1.917 -7.149 1.00 0.00 C ATOM 211 O CYS A 16 -10.233 2.218 -7.342 1.00 0.00 O ATOM 212 CB CYS A 16 -8.892 2.373 -4.682 1.00 0.00 C ATOM 213 SG CYS A 16 -9.041 0.628 -4.260 1.00 0.00 S ATOM 0 H CYS A 16 -8.921 4.580 -5.836 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.232 2.217 -6.051 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -8.308 2.875 -3.910 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -9.884 2.824 -4.675 1.00 0.00 H new ATOM 218 N PRO A 17 -8.439 0.932 -7.846 1.00 0.00 N ATOM 219 CA PRO A 17 -9.096 0.218 -8.932 1.00 0.00 C ATOM 220 C PRO A 17 -10.317 -0.553 -8.418 1.00 0.00 C ATOM 221 O PRO A 17 -10.305 -1.095 -7.316 1.00 0.00 O ATOM 222 CB PRO A 17 -8.034 -0.727 -9.503 1.00 0.00 C ATOM 223 CG PRO A 17 -7.077 -0.973 -8.340 1.00 0.00 C ATOM 224 CD PRO A 17 -7.140 0.335 -7.550 1.00 0.00 C ATOM 0 HA PRO A 17 -9.472 0.898 -9.697 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -8.479 -1.658 -9.855 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.519 -0.279 -10.353 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.390 -1.824 -7.735 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.066 -1.184 -8.689 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -7.032 0.149 -6.481 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -6.330 1.004 -7.840 1.00 0.00 H new ATOM 232 N GLN A 18 -11.364 -0.676 -9.242 1.00 0.00 N ATOM 233 CA GLN A 18 -12.565 -1.476 -8.932 1.00 0.00 C ATOM 234 C GLN A 18 -12.269 -2.914 -8.489 1.00 0.00 C ATOM 235 O GLN A 18 -13.029 -3.460 -7.702 1.00 0.00 O ATOM 236 CB GLN A 18 -13.551 -1.450 -10.106 1.00 0.00 C ATOM 237 CG GLN A 18 -13.005 -2.113 -11.386 1.00 0.00 C ATOM 238 CD GLN A 18 -13.146 -3.634 -11.430 1.00 0.00 C ATOM 239 OE1 GLN A 18 -14.080 -4.225 -10.922 1.00 0.00 O ATOM 240 NE2 GLN A 18 -12.238 -4.335 -12.071 1.00 0.00 N ATOM 0 H GLN A 18 -11.406 -0.220 -10.153 1.00 0.00 H new ATOM 0 HA GLN A 18 -13.024 -0.998 -8.066 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -14.470 -1.955 -9.809 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -13.813 -0.415 -10.326 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -13.522 -1.689 -12.247 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -11.951 -1.857 -11.490 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -11.444 -3.865 -12.506 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -12.327 -5.349 -12.133 1.00 0.00 H new ATOM 249 N GLU A 19 -11.160 -3.494 -8.961 1.00 0.00 N ATOM 250 CA GLU A 19 -10.716 -4.836 -8.571 1.00 0.00 C ATOM 251 C GLU A 19 -10.213 -4.914 -7.123 1.00 0.00 C ATOM 252 O GLU A 19 -10.242 -5.991 -6.525 1.00 0.00 O ATOM 253 CB GLU A 19 -9.630 -5.322 -9.545 1.00 0.00 C ATOM 254 CG GLU A 19 -8.214 -4.789 -9.260 1.00 0.00 C ATOM 255 CD GLU A 19 -7.202 -5.472 -10.174 1.00 0.00 C ATOM 256 OE1 GLU A 19 -6.942 -6.675 -9.946 1.00 0.00 O ATOM 257 OE2 GLU A 19 -6.759 -4.789 -11.124 1.00 0.00 O ATOM 0 H GLU A 19 -10.539 -3.040 -9.631 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.587 -5.489 -8.623 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.603 -6.411 -9.521 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.914 -5.032 -10.557 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.185 -3.710 -9.415 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.953 -4.968 -8.217 1.00 0.00 H new ATOM 264 N ALA A 20 -9.762 -3.769 -6.596 1.00 0.00 N ATOM 265 CA ALA A 20 -9.229 -3.586 -5.256 1.00 0.00 C ATOM 266 C ALA A 20 -10.229 -2.997 -4.266 1.00 0.00 C ATOM 267 O ALA A 20 -10.010 -2.990 -3.053 1.00 0.00 O ATOM 268 CB ALA A 20 -8.058 -2.611 -5.319 1.00 0.00 C ATOM 0 H ALA A 20 -9.763 -2.900 -7.131 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.948 -4.580 -4.909 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.651 -2.467 -4.318 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.284 -3.014 -5.971 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.402 -1.654 -5.712 1.00 0.00 H new ATOM 274 N ARG A 21 -11.305 -2.394 -4.781 1.00 0.00 N ATOM 275 CA ARG A 21 -12.417 -1.902 -3.968 1.00 0.00 C ATOM 276 C ARG A 21 -13.022 -3.025 -3.125 1.00 0.00 C ATOM 277 O ARG A 21 -13.819 -3.823 -3.610 1.00 0.00 O ATOM 278 CB ARG A 21 -13.485 -1.256 -4.840 1.00 0.00 C ATOM 279 CG ARG A 21 -12.950 -0.030 -5.585 1.00 0.00 C ATOM 280 CD ARG A 21 -14.095 0.659 -6.314 1.00 0.00 C ATOM 281 NE ARG A 21 -13.597 1.620 -7.314 1.00 0.00 N ATOM 282 CZ ARG A 21 -14.286 2.037 -8.359 1.00 0.00 C ATOM 283 NH1 ARG A 21 -15.507 1.635 -8.568 1.00 0.00 N ATOM 284 NH2 ARG A 21 -13.784 2.881 -9.203 1.00 0.00 N ATOM 0 H ARG A 21 -11.428 -2.233 -5.781 1.00 0.00 H new ATOM 0 HA ARG A 21 -12.022 -1.144 -3.291 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.855 -1.985 -5.560 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -14.332 -0.963 -4.219 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -12.484 0.661 -4.883 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -12.180 -0.330 -6.296 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -14.718 -0.089 -6.805 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -14.728 1.177 -5.593 1.00 0.00 H new ATOM 0 HE ARG A 21 -12.654 1.988 -7.190 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -15.948 0.985 -7.917 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -16.022 1.970 -9.382 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -12.838 3.237 -9.067 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -14.335 3.190 -10.004 1.00 0.00 H new ATOM 298 N LEU A 22 -12.674 -3.067 -1.845 1.00 0.00 N ATOM 299 CA LEU A 22 -13.205 -4.045 -0.912 1.00 0.00 C ATOM 300 C LEU A 22 -14.542 -3.572 -0.329 1.00 0.00 C ATOM 301 O LEU A 22 -14.882 -2.388 -0.333 1.00 0.00 O ATOM 302 CB LEU A 22 -12.201 -4.283 0.222 1.00 0.00 C ATOM 303 CG LEU A 22 -10.815 -4.809 -0.182 1.00 0.00 C ATOM 304 CD1 LEU A 22 -9.865 -4.679 1.021 1.00 0.00 C ATOM 305 CD2 LEU A 22 -10.933 -6.244 -0.710 1.00 0.00 C ATOM 0 H LEU A 22 -12.010 -2.417 -1.425 1.00 0.00 H new ATOM 0 HA LEU A 22 -13.373 -4.978 -1.451 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.065 -3.344 0.759 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -12.642 -4.991 0.924 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.395 -4.218 -0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.877 -5.049 0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.791 -3.632 1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.253 -5.263 1.855 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.946 -6.609 -0.994 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.347 -6.885 0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.590 -6.259 -1.580 1.00 0.00 H new ATOM 317 N SER A 23 -15.225 -4.498 0.340 1.00 0.00 N ATOM 318 CA SER A 23 -16.524 -4.316 1.001 1.00 0.00 C ATOM 319 C SER A 23 -16.461 -4.608 2.498 1.00 0.00 C ATOM 320 O SER A 23 -17.432 -5.058 3.095 1.00 0.00 O ATOM 321 CB SER A 23 -17.579 -5.187 0.314 1.00 0.00 C ATOM 322 OG SER A 23 -17.143 -6.534 0.286 1.00 0.00 O ATOM 0 H SER A 23 -14.871 -5.449 0.444 1.00 0.00 H new ATOM 0 HA SER A 23 -16.805 -3.267 0.904 1.00 0.00 H new ATOM 0 HB2 SER A 23 -18.528 -5.113 0.846 1.00 0.00 H new ATOM 0 HB3 SER A 23 -17.754 -4.830 -0.701 1.00 0.00 H new ATOM 0 HG SER A 23 -17.822 -7.088 -0.153 1.00 0.00 H new ATOM 328 N TYR A 24 -15.308 -4.365 3.124 1.00 0.00 N ATOM 329 CA TYR A 24 -15.169 -4.517 4.578 1.00 0.00 C ATOM 330 C TYR A 24 -15.987 -3.479 5.363 1.00 0.00 C ATOM 331 O TYR A 24 -16.202 -3.673 6.543 1.00 0.00 O ATOM 332 CB TYR A 24 -13.690 -4.441 4.945 1.00 0.00 C ATOM 333 CG TYR A 24 -12.921 -5.709 4.736 1.00 0.00 C ATOM 334 CD1 TYR A 24 -12.947 -6.716 5.707 1.00 0.00 C ATOM 335 CD2 TYR A 24 -12.176 -5.866 3.563 1.00 0.00 C ATOM 336 CE1 TYR A 24 -12.254 -7.913 5.469 1.00 0.00 C ATOM 337 CE2 TYR A 24 -11.473 -7.055 3.316 1.00 0.00 C ATOM 338 CZ TYR A 24 -11.503 -8.081 4.286 1.00 0.00 C ATOM 339 OH TYR A 24 -10.681 -9.157 4.165 1.00 0.00 O ATOM 0 H TYR A 24 -14.457 -4.063 2.650 1.00 0.00 H new ATOM 0 HA TYR A 24 -15.571 -5.490 4.859 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -13.225 -3.650 4.356 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -13.605 -4.151 5.992 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.493 -6.574 6.628 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -12.141 -5.064 2.840 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -12.296 -8.711 6.196 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -10.918 -7.183 2.399 1.00 0.00 H new ATOM 0 HH TYR A 24 -10.234 -9.131 3.293 1.00 0.00 H new ATOM 349 N GLY A 25 -16.445 -2.386 4.743 1.00 0.00 N ATOM 350 CA GLY A 25 -17.274 -1.366 5.400 1.00 0.00 C ATOM 351 C GLY A 25 -16.527 -0.612 6.496 1.00 0.00 C ATOM 352 O GLY A 25 -16.831 -0.703 7.677 1.00 0.00 O ATOM 0 H GLY A 25 -16.250 -2.182 3.763 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.627 -0.655 4.653 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -18.156 -1.842 5.829 1.00 0.00 H new ATOM 356 N GLY A 26 -15.526 0.172 6.105 1.00 0.00 N ATOM 357 CA GLY A 26 -14.696 0.900 7.064 1.00 0.00 C ATOM 358 C GLY A 26 -13.866 2.013 6.452 1.00 0.00 C ATOM 359 O GLY A 26 -12.830 2.352 7.015 1.00 0.00 O ATOM 0 H GLY A 26 -15.269 0.320 5.129 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -15.339 1.324 7.835 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -14.028 0.194 7.558 1.00 0.00 H new ATOM 363 N CYS A 27 -14.308 2.560 5.319 1.00 0.00 N ATOM 364 CA CYS A 27 -13.675 3.699 4.666 1.00 0.00 C ATOM 365 C CYS A 27 -14.692 4.754 4.278 1.00 0.00 C ATOM 366 O CYS A 27 -15.826 4.422 3.949 1.00 0.00 O ATOM 367 CB CYS A 27 -12.917 3.211 3.439 1.00 0.00 C ATOM 368 SG CYS A 27 -11.398 2.403 3.989 1.00 0.00 S ATOM 0 H CYS A 27 -15.130 2.216 4.823 1.00 0.00 H new ATOM 0 HA CYS A 27 -12.981 4.163 5.367 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -13.530 2.515 2.867 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -12.684 4.047 2.780 1.00 0.00 H new ATOM 373 N SER A 28 -14.244 6.010 4.246 1.00 0.00 N ATOM 374 CA SER A 28 -15.070 7.171 3.899 1.00 0.00 C ATOM 375 C SER A 28 -15.791 7.011 2.558 1.00 0.00 C ATOM 376 O SER A 28 -16.950 7.372 2.416 1.00 0.00 O ATOM 377 CB SER A 28 -14.187 8.420 3.840 1.00 0.00 C ATOM 378 OG SER A 28 -13.643 8.693 5.114 1.00 0.00 O ATOM 0 H SER A 28 -13.278 6.255 4.465 1.00 0.00 H new ATOM 0 HA SER A 28 -15.833 7.263 4.672 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.384 8.273 3.118 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.773 9.273 3.496 1.00 0.00 H new ATOM 0 HG SER A 28 -13.079 9.493 5.064 1.00 0.00 H new ATOM 384 N THR A 29 -15.078 6.474 1.566 1.00 0.00 N ATOM 385 CA THR A 29 -15.554 6.222 0.198 1.00 0.00 C ATOM 386 C THR A 29 -15.456 4.731 -0.111 1.00 0.00 C ATOM 387 O THR A 29 -16.471 4.047 -0.178 1.00 0.00 O ATOM 388 CB THR A 29 -14.819 7.121 -0.825 1.00 0.00 C ATOM 389 OG1 THR A 29 -14.777 6.556 -2.121 1.00 0.00 O ATOM 390 CG2 THR A 29 -13.386 7.481 -0.401 1.00 0.00 C ATOM 0 H THR A 29 -14.108 6.189 1.697 1.00 0.00 H new ATOM 0 HA THR A 29 -16.606 6.496 0.116 1.00 0.00 H new ATOM 0 HB THR A 29 -15.415 8.034 -0.850 1.00 0.00 H new ATOM 0 HG1 THR A 29 -14.304 7.164 -2.728 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.929 8.112 -1.163 1.00 0.00 H new ATOM 0 HG22 THR A 29 -13.411 8.017 0.548 1.00 0.00 H new ATOM 0 HG23 THR A 29 -12.800 6.569 -0.287 1.00 0.00 H new ATOM 398 N VAL A 30 -14.241 4.215 -0.306 1.00 0.00 N ATOM 399 CA VAL A 30 -13.983 2.822 -0.654 1.00 0.00 C ATOM 400 C VAL A 30 -12.703 2.312 0.013 1.00 0.00 C ATOM 401 O VAL A 30 -11.736 3.046 0.202 1.00 0.00 O ATOM 402 CB VAL A 30 -14.046 2.654 -2.173 1.00 0.00 C ATOM 403 CG1 VAL A 30 -13.215 3.592 -3.029 1.00 0.00 C ATOM 404 CG2 VAL A 30 -13.701 1.254 -2.622 1.00 0.00 C ATOM 0 H VAL A 30 -13.390 4.771 -0.223 1.00 0.00 H new ATOM 0 HA VAL A 30 -14.763 2.176 -0.252 1.00 0.00 H new ATOM 0 HB VAL A 30 -15.092 2.909 -2.342 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -13.363 3.351 -4.082 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -13.523 4.621 -2.845 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -12.161 3.478 -2.776 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -13.763 1.195 -3.709 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -12.688 1.008 -2.302 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -14.403 0.547 -2.180 1.00 0.00 H new ATOM 414 N CYS A 31 -12.722 1.068 0.483 1.00 0.00 N ATOM 415 CA CYS A 31 -11.528 0.396 0.997 1.00 0.00 C ATOM 416 C CYS A 31 -10.689 -0.127 -0.178 1.00 0.00 C ATOM 417 O CYS A 31 -11.267 -0.703 -1.092 1.00 0.00 O ATOM 418 CB CYS A 31 -11.968 -0.763 1.908 1.00 0.00 C ATOM 419 SG CYS A 31 -12.739 -0.276 3.480 1.00 0.00 S ATOM 0 H CYS A 31 -13.565 0.495 0.519 1.00 0.00 H new ATOM 0 HA CYS A 31 -10.918 1.093 1.572 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -12.671 -1.388 1.357 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -11.097 -1.380 2.127 1.00 0.00 H new ATOM 424 N CYS A 32 -9.362 0.012 -0.140 1.00 0.00 N ATOM 425 CA CYS A 32 -8.442 -0.586 -1.106 1.00 0.00 C ATOM 426 C CYS A 32 -7.601 -1.706 -0.474 1.00 0.00 C ATOM 427 O CYS A 32 -7.054 -1.571 0.629 1.00 0.00 O ATOM 428 CB CYS A 32 -7.552 0.508 -1.690 1.00 0.00 C ATOM 429 SG CYS A 32 -7.224 0.261 -3.441 1.00 0.00 S ATOM 0 H CYS A 32 -8.888 0.556 0.581 1.00 0.00 H new ATOM 0 HA CYS A 32 -9.023 -1.046 -1.905 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -8.030 1.477 -1.546 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -6.608 0.534 -1.146 1.00 0.00 H new ATOM 434 N ASP A 33 -7.504 -2.842 -1.156 1.00 0.00 N ATOM 435 CA ASP A 33 -6.733 -3.994 -0.708 1.00 0.00 C ATOM 436 C ASP A 33 -5.234 -3.879 -0.977 1.00 0.00 C ATOM 437 O ASP A 33 -4.700 -4.277 -2.006 1.00 0.00 O ATOM 438 CB ASP A 33 -7.269 -5.309 -1.249 1.00 0.00 C ATOM 439 CG ASP A 33 -7.796 -5.220 -2.659 1.00 0.00 C ATOM 440 OD1 ASP A 33 -7.101 -4.599 -3.481 1.00 0.00 O ATOM 441 OD2 ASP A 33 -8.853 -5.837 -2.889 1.00 0.00 O ATOM 0 H ASP A 33 -7.968 -2.990 -2.052 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.861 -3.995 0.374 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.475 -6.055 -1.215 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.067 -5.662 -0.595 1.00 0.00 H new ATOM 446 N LEU A 34 -4.483 -3.458 0.037 1.00 0.00 N ATOM 447 CA LEU A 34 -3.038 -3.307 -0.114 1.00 0.00 C ATOM 448 C LEU A 34 -2.385 -4.639 -0.501 1.00 0.00 C ATOM 449 O LEU A 34 -1.533 -4.677 -1.373 1.00 0.00 O ATOM 450 CB LEU A 34 -2.429 -2.774 1.183 1.00 0.00 C ATOM 451 CG LEU A 34 -3.088 -1.485 1.714 1.00 0.00 C ATOM 452 CD1 LEU A 34 -2.759 -1.368 3.192 1.00 0.00 C ATOM 453 CD2 LEU A 34 -2.643 -0.240 0.952 1.00 0.00 C ATOM 0 H LEU A 34 -4.844 -3.218 0.960 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.849 -2.593 -0.915 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.502 -3.547 1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.368 -2.585 1.021 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.166 -1.551 1.565 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.213 -0.463 3.595 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.149 -2.237 3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.678 -1.320 3.321 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.138 0.638 1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.563 -0.125 1.043 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.910 -0.342 -0.100 1.00 0.00 H new ATOM 465 N SER A 35 -2.828 -5.742 0.116 1.00 0.00 N ATOM 466 CA SER A 35 -2.298 -7.088 -0.166 1.00 0.00 C ATOM 467 C SER A 35 -2.533 -7.551 -1.602 1.00 0.00 C ATOM 468 O SER A 35 -1.694 -8.272 -2.134 1.00 0.00 O ATOM 469 CB SER A 35 -2.909 -8.126 0.774 1.00 0.00 C ATOM 470 OG SER A 35 -2.634 -7.743 2.104 1.00 0.00 O ATOM 0 H SER A 35 -3.562 -5.730 0.824 1.00 0.00 H new ATOM 0 HA SER A 35 -1.223 -7.006 -0.008 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.985 -8.195 0.614 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.493 -9.113 0.570 1.00 0.00 H new ATOM 0 HG SER A 35 -3.022 -8.399 2.720 1.00 0.00 H new ATOM 476 N LYS A 36 -3.663 -7.171 -2.211 1.00 0.00 N ATOM 477 CA LYS A 36 -3.965 -7.482 -3.612 1.00 0.00 C ATOM 478 C LYS A 36 -3.273 -6.521 -4.578 1.00 0.00 C ATOM 479 O LYS A 36 -2.787 -6.985 -5.601 1.00 0.00 O ATOM 480 CB LYS A 36 -5.469 -7.430 -3.850 1.00 0.00 C ATOM 481 CG LYS A 36 -6.259 -8.473 -3.046 1.00 0.00 C ATOM 482 CD LYS A 36 -7.660 -8.705 -3.622 1.00 0.00 C ATOM 483 CE LYS A 36 -7.605 -9.493 -4.924 1.00 0.00 C ATOM 484 NZ LYS A 36 -8.933 -10.072 -5.221 1.00 0.00 N ATOM 0 H LYS A 36 -4.396 -6.637 -1.743 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.588 -8.487 -3.804 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.834 -6.435 -3.595 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.665 -7.579 -4.912 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.711 -9.415 -3.037 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.343 -8.144 -2.010 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.269 -9.243 -2.895 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.146 -7.745 -3.797 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.292 -8.842 -5.740 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.862 -10.287 -4.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.887 -10.608 -6.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.215 -10.708 -4.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.632 -9.308 -5.313 1.00 0.00 H new ATOM 498 N LEU A 37 -3.194 -5.230 -4.237 1.00 0.00 N ATOM 499 CA LEU A 37 -2.508 -4.210 -5.026 1.00 0.00 C ATOM 500 C LEU A 37 -1.022 -4.533 -5.172 1.00 0.00 C ATOM 501 O LEU A 37 -0.502 -4.676 -6.275 1.00 0.00 O ATOM 502 CB LEU A 37 -2.684 -2.813 -4.386 1.00 0.00 C ATOM 503 CG LEU A 37 -4.057 -2.153 -4.600 1.00 0.00 C ATOM 504 CD1 LEU A 37 -4.093 -0.850 -3.783 1.00 0.00 C ATOM 505 CD2 LEU A 37 -4.332 -1.891 -6.091 1.00 0.00 C ATOM 0 H LEU A 37 -3.616 -4.861 -3.385 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.958 -4.202 -6.019 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.505 -2.899 -3.314 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.916 -2.151 -4.785 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.845 -2.824 -4.259 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.058 -0.362 -3.918 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.947 -1.078 -2.727 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.300 -0.185 -4.124 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.310 -1.424 -6.204 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.565 -1.228 -6.491 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.315 -2.835 -6.635 1.00 0.00 H new ATOM 517 N THR A 38 -0.310 -4.595 -4.050 1.00 0.00 N ATOM 518 CA THR A 38 1.120 -4.866 -4.057 1.00 0.00 C ATOM 519 C THR A 38 1.581 -5.368 -2.705 1.00 0.00 C ATOM 520 O THR A 38 1.240 -4.836 -1.650 1.00 0.00 O ATOM 521 CB THR A 38 1.905 -3.608 -4.449 1.00 0.00 C ATOM 522 OG1 THR A 38 3.271 -3.940 -4.590 1.00 0.00 O ATOM 523 CG2 THR A 38 1.755 -2.457 -3.454 1.00 0.00 C ATOM 0 H THR A 38 -0.706 -4.460 -3.120 1.00 0.00 H new ATOM 0 HA THR A 38 1.311 -5.643 -4.797 1.00 0.00 H new ATOM 0 HB THR A 38 1.488 -3.255 -5.392 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.562 -3.746 -5.505 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.337 -1.602 -3.797 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.705 -2.175 -3.380 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.116 -2.773 -2.475 1.00 0.00 H new ATOM 531 N GLY A 39 2.521 -6.301 -2.718 1.00 0.00 N ATOM 532 CA GLY A 39 3.105 -6.823 -1.490 1.00 0.00 C ATOM 533 C GLY A 39 4.024 -5.855 -0.740 1.00 0.00 C ATOM 534 O GLY A 39 4.811 -6.367 0.033 1.00 0.00 O ATOM 0 H GLY A 39 2.898 -6.715 -3.571 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.298 -7.123 -0.822 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.671 -7.723 -1.730 1.00 0.00 H new ATOM 538 N CYS A 40 3.915 -4.523 -0.887 1.00 0.00 N ATOM 539 CA CYS A 40 4.792 -3.515 -0.251 1.00 0.00 C ATOM 540 C CYS A 40 5.075 -3.865 1.215 1.00 0.00 C ATOM 541 O CYS A 40 6.161 -4.286 1.599 1.00 0.00 O ATOM 542 CB CYS A 40 4.177 -2.107 -0.415 1.00 0.00 C ATOM 543 SG CYS A 40 4.880 -0.802 0.633 1.00 0.00 S ATOM 0 H CYS A 40 3.192 -4.101 -1.470 1.00 0.00 H new ATOM 0 HA CYS A 40 5.759 -3.517 -0.755 1.00 0.00 H new ATOM 0 HB2 CYS A 40 4.284 -1.805 -1.457 1.00 0.00 H new ATOM 0 HB3 CYS A 40 3.108 -2.173 -0.210 1.00 0.00 H new ATOM 548 N LYS A 41 4.024 -3.815 2.034 1.00 0.00 N ATOM 549 CA LYS A 41 4.100 -4.185 3.448 1.00 0.00 C ATOM 550 C LYS A 41 4.111 -5.690 3.699 1.00 0.00 C ATOM 551 O LYS A 41 4.739 -6.162 4.639 1.00 0.00 O ATOM 552 CB LYS A 41 2.979 -3.501 4.222 1.00 0.00 C ATOM 553 CG LYS A 41 1.578 -3.811 3.659 1.00 0.00 C ATOM 554 CD LYS A 41 0.461 -3.404 4.619 1.00 0.00 C ATOM 555 CE LYS A 41 0.194 -4.473 5.689 1.00 0.00 C ATOM 556 NZ LYS A 41 1.097 -4.359 6.866 1.00 0.00 N ATOM 0 H LYS A 41 3.095 -3.517 1.736 1.00 0.00 H new ATOM 0 HA LYS A 41 5.065 -3.833 3.812 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.022 -3.814 5.265 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.140 -2.423 4.206 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.447 -3.289 2.711 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.502 -4.878 3.449 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.727 -2.465 5.105 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.453 -3.223 4.054 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.840 -4.394 6.023 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.310 -5.461 5.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.584 -4.640 7.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.919 -4.982 6.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.420 -3.375 6.962 1.00 0.00 H new ATOM 570 N GLY A 42 3.359 -6.451 2.904 1.00 0.00 N ATOM 571 CA GLY A 42 3.236 -7.904 3.049 1.00 0.00 C ATOM 572 C GLY A 42 4.570 -8.639 2.867 1.00 0.00 C ATOM 573 O GLY A 42 4.761 -9.690 3.461 1.00 0.00 O ATOM 0 H GLY A 42 2.811 -6.073 2.131 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.833 -8.132 4.036 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.519 -8.277 2.318 1.00 0.00 H new ATOM 577 N LYS A 43 5.497 -8.075 2.085 1.00 0.00 N ATOM 578 CA LYS A 43 6.882 -8.520 1.880 1.00 0.00 C ATOM 579 C LYS A 43 7.861 -7.968 2.931 1.00 0.00 C ATOM 580 O LYS A 43 9.069 -8.082 2.753 1.00 0.00 O ATOM 581 CB LYS A 43 7.321 -8.141 0.447 1.00 0.00 C ATOM 582 CG LYS A 43 6.559 -8.919 -0.642 1.00 0.00 C ATOM 583 CD LYS A 43 7.099 -10.349 -0.766 1.00 0.00 C ATOM 584 CE LYS A 43 6.754 -10.928 -2.138 1.00 0.00 C ATOM 585 NZ LYS A 43 7.422 -12.237 -2.335 1.00 0.00 N ATOM 0 H LYS A 43 5.286 -7.238 1.541 1.00 0.00 H new ATOM 0 HA LYS A 43 6.909 -9.603 2.005 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.168 -7.072 0.297 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.389 -8.328 0.339 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.496 -8.946 -0.400 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.655 -8.405 -1.598 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.180 -10.351 -0.624 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.674 -10.975 0.018 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.674 -11.048 -2.227 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.064 -10.234 -2.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.176 -12.615 -3.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.453 -12.114 -2.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.107 -12.902 -1.600 1.00 0.00 H new ATOM 599 N GLY A 44 7.356 -7.402 4.029 1.00 0.00 N ATOM 600 CA GLY A 44 8.183 -6.822 5.086 1.00 0.00 C ATOM 601 C GLY A 44 8.823 -5.491 4.684 1.00 0.00 C ATOM 602 O GLY A 44 9.976 -5.226 5.039 1.00 0.00 O ATOM 0 H GLY A 44 6.354 -7.333 4.210 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.572 -6.671 5.976 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.968 -7.529 5.355 1.00 0.00 H new ATOM 606 N GLY A 45 8.078 -4.679 3.928 1.00 0.00 N ATOM 607 CA GLY A 45 8.460 -3.343 3.484 1.00 0.00 C ATOM 608 C GLY A 45 7.692 -2.225 4.188 1.00 0.00 C ATOM 609 O GLY A 45 6.639 -2.441 4.784 1.00 0.00 O ATOM 0 H GLY A 45 7.152 -4.951 3.596 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.527 -3.203 3.655 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.296 -3.265 2.409 1.00 0.00 H new ATOM 613 N GLU A 46 8.227 -1.014 4.112 1.00 0.00 N ATOM 614 CA GLU A 46 7.679 0.179 4.749 1.00 0.00 C ATOM 615 C GLU A 46 7.877 1.396 3.836 1.00 0.00 C ATOM 616 O GLU A 46 8.858 1.495 3.088 1.00 0.00 O ATOM 617 CB GLU A 46 8.367 0.366 6.117 1.00 0.00 C ATOM 618 CG GLU A 46 7.721 1.443 7.001 1.00 0.00 C ATOM 619 CD GLU A 46 6.313 1.039 7.461 1.00 0.00 C ATOM 620 OE1 GLU A 46 6.182 0.005 8.156 1.00 0.00 O ATOM 621 OE2 GLU A 46 5.371 1.757 7.059 1.00 0.00 O ATOM 0 H GLU A 46 9.082 -0.827 3.589 1.00 0.00 H new ATOM 0 HA GLU A 46 6.607 0.070 4.912 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.353 -0.584 6.651 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.413 0.625 5.953 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.350 1.622 7.873 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.667 2.381 6.449 1.00 0.00 H new ATOM 628 N CYS A 47 6.971 2.368 3.924 1.00 0.00 N ATOM 629 CA CYS A 47 7.100 3.637 3.212 1.00 0.00 C ATOM 630 C CYS A 47 8.348 4.411 3.650 1.00 0.00 C ATOM 631 O CYS A 47 8.470 4.845 4.794 1.00 0.00 O ATOM 632 CB CYS A 47 5.825 4.459 3.396 1.00 0.00 C ATOM 633 SG CYS A 47 4.405 3.731 2.529 1.00 0.00 S ATOM 0 H CYS A 47 6.126 2.297 4.491 1.00 0.00 H new ATOM 0 HA CYS A 47 7.229 3.430 2.150 1.00 0.00 H new ATOM 0 HB2 CYS A 47 5.597 4.539 4.459 1.00 0.00 H new ATOM 0 HB3 CYS A 47 5.992 5.472 3.029 1.00 0.00 H new ATOM 638 N ASN A 48 9.292 4.576 2.724 1.00 0.00 N ATOM 639 CA ASN A 48 10.530 5.310 2.931 1.00 0.00 C ATOM 640 C ASN A 48 10.597 6.552 2.016 1.00 0.00 C ATOM 641 O ASN A 48 10.032 6.585 0.916 1.00 0.00 O ATOM 642 CB ASN A 48 11.731 4.353 2.785 1.00 0.00 C ATOM 643 CG ASN A 48 11.968 3.550 4.057 1.00 0.00 C ATOM 644 OD1 ASN A 48 12.913 3.769 4.804 1.00 0.00 O ATOM 645 ND2 ASN A 48 11.098 2.628 4.382 1.00 0.00 N ATOM 0 H ASN A 48 9.210 4.190 1.784 1.00 0.00 H new ATOM 0 HA ASN A 48 10.566 5.703 3.947 1.00 0.00 H new ATOM 0 HB2 ASN A 48 11.555 3.672 1.952 1.00 0.00 H new ATOM 0 HB3 ASN A 48 12.626 4.926 2.544 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.212 2.102 5.249 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.306 2.435 3.769 1.00 0.00 H new ATOM 652 N PRO A 49 11.253 7.629 2.479 1.00 0.00 N ATOM 653 CA PRO A 49 11.488 8.817 1.670 1.00 0.00 C ATOM 654 C PRO A 49 12.451 8.523 0.527 1.00 0.00 C ATOM 655 O PRO A 49 13.327 7.681 0.655 1.00 0.00 O ATOM 656 CB PRO A 49 12.002 9.876 2.651 1.00 0.00 C ATOM 657 CG PRO A 49 12.656 9.060 3.763 1.00 0.00 C ATOM 658 CD PRO A 49 11.842 7.770 3.800 1.00 0.00 C ATOM 0 HA PRO A 49 10.586 9.172 1.172 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.717 10.548 2.175 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.190 10.494 3.034 1.00 0.00 H new ATOM 0 HG2 PRO A 49 13.707 8.863 3.549 1.00 0.00 H new ATOM 0 HG3 PRO A 49 12.618 9.584 4.718 1.00 0.00 H new ATOM 0 HD2 PRO A 49 12.476 6.916 4.038 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.070 7.818 4.568 1.00 0.00 H new ATOM 666 N LEU A 50 12.319 9.277 -0.566 1.00 0.00 N ATOM 667 CA LEU A 50 13.236 9.214 -1.714 1.00 0.00 C ATOM 668 C LEU A 50 14.688 9.570 -1.354 1.00 0.00 C ATOM 669 O LEU A 50 15.598 9.224 -2.094 1.00 0.00 O ATOM 670 CB LEU A 50 12.769 10.185 -2.814 1.00 0.00 C ATOM 671 CG LEU A 50 11.303 10.064 -3.253 1.00 0.00 C ATOM 672 CD1 LEU A 50 10.983 11.100 -4.330 1.00 0.00 C ATOM 673 CD2 LEU A 50 11.028 8.671 -3.795 1.00 0.00 C ATOM 0 H LEU A 50 11.567 9.956 -0.684 1.00 0.00 H new ATOM 0 HA LEU A 50 13.216 8.180 -2.057 1.00 0.00 H new ATOM 0 HB2 LEU A 50 12.938 11.204 -2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.401 10.039 -3.690 1.00 0.00 H new ATOM 0 HG LEU A 50 10.670 10.243 -2.384 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.940 11.002 -4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 50 11.154 12.101 -3.934 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.627 10.937 -5.194 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.985 8.600 -4.102 1.00 0.00 H new ATOM 0 HD22 LEU A 50 11.673 8.480 -4.653 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.229 7.932 -3.019 1.00 0.00 H new ATOM 685 N ASP A 51 14.879 10.282 -0.240 1.00 0.00 N ATOM 686 CA ASP A 51 16.180 10.591 0.361 1.00 0.00 C ATOM 687 C ASP A 51 16.797 9.382 1.078 1.00 0.00 C ATOM 688 O ASP A 51 17.997 9.352 1.286 1.00 0.00 O ATOM 689 CB ASP A 51 15.980 11.746 1.357 1.00 0.00 C ATOM 690 CG ASP A 51 17.250 12.130 2.122 1.00 0.00 C ATOM 691 OD1 ASP A 51 18.078 12.845 1.517 1.00 0.00 O ATOM 692 OD2 ASP A 51 17.311 11.797 3.330 1.00 0.00 O ATOM 0 H ASP A 51 14.101 10.675 0.289 1.00 0.00 H new ATOM 0 HA ASP A 51 16.873 10.870 -0.433 1.00 0.00 H new ATOM 0 HB2 ASP A 51 15.614 12.619 0.817 1.00 0.00 H new ATOM 0 HB3 ASP A 51 15.207 11.466 2.072 1.00 0.00 H new ATOM 697 N ARG A 52 16.010 8.365 1.455 1.00 0.00 N ATOM 698 CA ARG A 52 16.528 7.149 2.085 1.00 0.00 C ATOM 699 C ARG A 52 16.963 6.152 1.014 1.00 0.00 C ATOM 700 O ARG A 52 16.173 5.763 0.165 1.00 0.00 O ATOM 701 CB ARG A 52 15.452 6.547 2.994 1.00 0.00 C ATOM 702 CG ARG A 52 15.934 5.302 3.749 1.00 0.00 C ATOM 703 CD ARG A 52 16.796 5.675 4.962 1.00 0.00 C ATOM 704 NE ARG A 52 15.977 6.245 6.055 1.00 0.00 N ATOM 705 CZ ARG A 52 15.248 5.565 6.923 1.00 0.00 C ATOM 706 NH1 ARG A 52 15.210 4.268 6.901 1.00 0.00 N ATOM 707 NH2 ARG A 52 14.534 6.167 7.831 1.00 0.00 N ATOM 0 H ARG A 52 14.998 8.365 1.331 1.00 0.00 H new ATOM 0 HA ARG A 52 17.399 7.393 2.693 1.00 0.00 H new ATOM 0 HB2 ARG A 52 15.129 7.299 3.714 1.00 0.00 H new ATOM 0 HB3 ARG A 52 14.581 6.286 2.393 1.00 0.00 H new ATOM 0 HG2 ARG A 52 15.073 4.720 4.079 1.00 0.00 H new ATOM 0 HG3 ARG A 52 16.509 4.667 3.075 1.00 0.00 H new ATOM 0 HD2 ARG A 52 17.321 4.790 5.323 1.00 0.00 H new ATOM 0 HD3 ARG A 52 17.556 6.396 4.662 1.00 0.00 H new ATOM 0 HE ARG A 52 15.975 7.261 6.147 1.00 0.00 H new ATOM 0 HH11 ARG A 52 15.749 3.754 6.205 1.00 0.00 H new ATOM 0 HH12 ARG A 52 14.641 3.763 7.580 1.00 0.00 H new ATOM 0 HH21 ARG A 52 14.529 7.186 7.883 1.00 0.00 H new ATOM 0 HH22 ARG A 52 13.980 5.620 8.490 1.00 0.00 H new ATOM 721 N GLN A 53 18.193 5.660 1.130 1.00 0.00 N ATOM 722 CA GLN A 53 18.726 4.605 0.266 1.00 0.00 C ATOM 723 C GLN A 53 18.292 3.224 0.759 1.00 0.00 C ATOM 724 O GLN A 53 18.632 2.820 1.876 1.00 0.00 O ATOM 725 CB GLN A 53 20.259 4.661 0.208 1.00 0.00 C ATOM 726 CG GLN A 53 20.798 6.024 -0.246 1.00 0.00 C ATOM 727 CD GLN A 53 21.021 6.938 0.947 1.00 0.00 C ATOM 728 OE1 GLN A 53 20.267 7.827 1.243 1.00 0.00 O ATOM 729 NE2 GLN A 53 22.014 6.733 1.773 1.00 0.00 N ATOM 0 H GLN A 53 18.857 5.984 1.833 1.00 0.00 H new ATOM 0 HA GLN A 53 18.325 4.772 -0.734 1.00 0.00 H new ATOM 0 HB2 GLN A 53 20.662 4.428 1.194 1.00 0.00 H new ATOM 0 HB3 GLN A 53 20.619 3.890 -0.474 1.00 0.00 H new ATOM 0 HG2 GLN A 53 21.735 5.888 -0.787 1.00 0.00 H new ATOM 0 HG3 GLN A 53 20.095 6.487 -0.938 1.00 0.00 H new ATOM 0 HE21 GLN A 53 22.691 5.994 1.583 1.00 0.00 H new ATOM 0 HE22 GLN A 53 22.111 7.312 2.607 1.00 0.00 H new ATOM 738 N CYS A 54 17.556 2.487 -0.066 1.00 0.00 N ATOM 739 CA CYS A 54 17.117 1.125 0.212 1.00 0.00 C ATOM 740 C CYS A 54 16.639 0.445 -1.077 1.00 0.00 C ATOM 741 O CYS A 54 16.657 1.046 -2.139 1.00 0.00 O ATOM 742 CB CYS A 54 16.084 1.145 1.357 1.00 0.00 C ATOM 743 SG CYS A 54 14.969 2.575 1.494 1.00 0.00 S ATOM 0 H CYS A 54 17.240 2.831 -0.973 1.00 0.00 H new ATOM 0 HA CYS A 54 17.946 0.511 0.564 1.00 0.00 H new ATOM 0 HB2 CYS A 54 15.467 0.251 1.263 1.00 0.00 H new ATOM 0 HB3 CYS A 54 16.629 1.058 2.297 1.00 0.00 H new ATOM 748 N LYS A 55 16.321 -0.852 -1.013 1.00 0.00 N ATOM 749 CA LYS A 55 15.711 -1.575 -2.133 1.00 0.00 C ATOM 750 C LYS A 55 14.208 -1.316 -2.131 1.00 0.00 C ATOM 751 O LYS A 55 13.527 -1.769 -1.211 1.00 0.00 O ATOM 752 CB LYS A 55 16.026 -3.070 -2.008 1.00 0.00 C ATOM 753 CG LYS A 55 15.668 -3.842 -3.291 1.00 0.00 C ATOM 754 CD LYS A 55 15.566 -5.348 -3.012 1.00 0.00 C ATOM 755 CE LYS A 55 16.934 -5.941 -2.650 1.00 0.00 C ATOM 756 NZ LYS A 55 16.795 -7.254 -1.972 1.00 0.00 N ATOM 0 H LYS A 55 16.479 -1.428 -0.186 1.00 0.00 H new ATOM 0 HA LYS A 55 16.119 -1.225 -3.081 1.00 0.00 H new ATOM 0 HB2 LYS A 55 17.086 -3.201 -1.790 1.00 0.00 H new ATOM 0 HB3 LYS A 55 15.473 -3.488 -1.167 1.00 0.00 H new ATOM 0 HG2 LYS A 55 14.721 -3.476 -3.688 1.00 0.00 H new ATOM 0 HG3 LYS A 55 16.425 -3.660 -4.054 1.00 0.00 H new ATOM 0 HD2 LYS A 55 14.864 -5.522 -2.196 1.00 0.00 H new ATOM 0 HD3 LYS A 55 15.167 -5.857 -3.890 1.00 0.00 H new ATOM 0 HE2 LYS A 55 17.532 -6.058 -3.554 1.00 0.00 H new ATOM 0 HE3 LYS A 55 17.471 -5.250 -2.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 17.738 -7.627 -1.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 16.245 -7.136 -1.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 16.304 -7.920 -2.602 1.00 0.00 H new ATOM 770 N GLU A 56 13.710 -0.638 -3.157 1.00 0.00 N ATOM 771 CA GLU A 56 12.297 -0.337 -3.372 1.00 0.00 C ATOM 772 C GLU A 56 11.801 -0.819 -4.739 1.00 0.00 C ATOM 773 O GLU A 56 12.393 -0.551 -5.786 1.00 0.00 O ATOM 774 CB GLU A 56 12.025 1.166 -3.179 1.00 0.00 C ATOM 775 CG GLU A 56 12.740 2.122 -4.142 1.00 0.00 C ATOM 776 CD GLU A 56 14.241 2.211 -3.926 1.00 0.00 C ATOM 777 OE1 GLU A 56 14.617 3.067 -3.102 1.00 0.00 O ATOM 778 OE2 GLU A 56 14.962 1.456 -4.620 1.00 0.00 O ATOM 0 H GLU A 56 14.306 -0.265 -3.896 1.00 0.00 H new ATOM 0 HA GLU A 56 11.731 -0.889 -2.621 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.951 1.332 -3.268 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.306 1.435 -2.161 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.549 1.799 -5.166 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.309 3.117 -4.036 1.00 0.00 H new ATOM 785 N LEU A 57 10.686 -1.546 -4.757 1.00 0.00 N ATOM 786 CA LEU A 57 10.070 -1.962 -6.014 1.00 0.00 C ATOM 787 C LEU A 57 9.142 -0.851 -6.541 1.00 0.00 C ATOM 788 O LEU A 57 8.329 -0.293 -5.809 1.00 0.00 O ATOM 789 CB LEU A 57 9.393 -3.326 -5.787 1.00 0.00 C ATOM 790 CG LEU A 57 8.487 -3.814 -6.929 1.00 0.00 C ATOM 791 CD1 LEU A 57 9.186 -3.835 -8.298 1.00 0.00 C ATOM 792 CD2 LEU A 57 7.866 -5.179 -6.634 1.00 0.00 C ATOM 0 H LEU A 57 10.193 -1.858 -3.920 1.00 0.00 H new ATOM 0 HA LEU A 57 10.806 -2.105 -6.805 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.168 -4.073 -5.617 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.799 -3.270 -4.875 1.00 0.00 H new ATOM 0 HG LEU A 57 7.688 -3.075 -6.986 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.489 -4.189 -9.057 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.518 -2.829 -8.552 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.047 -4.502 -8.257 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.235 -5.480 -7.470 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.657 -5.916 -6.493 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.263 -5.116 -5.728 1.00 0.00 H new ATOM 804 N GLN A 58 9.200 -0.559 -7.843 1.00 0.00 N ATOM 805 CA GLN A 58 8.276 0.362 -8.528 1.00 0.00 C ATOM 806 C GLN A 58 6.788 0.015 -8.334 1.00 0.00 C ATOM 807 O GLN A 58 5.951 0.902 -8.208 1.00 0.00 O ATOM 808 CB GLN A 58 8.604 0.427 -10.030 1.00 0.00 C ATOM 809 CG GLN A 58 8.483 -0.924 -10.764 1.00 0.00 C ATOM 810 CD GLN A 58 8.579 -0.777 -12.269 1.00 0.00 C ATOM 811 OE1 GLN A 58 7.601 -0.793 -12.989 1.00 0.00 O ATOM 812 NE2 GLN A 58 9.767 -0.654 -12.806 1.00 0.00 N ATOM 0 H GLN A 58 9.901 -0.961 -8.466 1.00 0.00 H new ATOM 0 HA GLN A 58 8.428 1.336 -8.063 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.937 1.146 -10.505 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.619 0.804 -10.152 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.269 -1.594 -10.417 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.531 -1.389 -10.508 1.00 0.00 H new ATOM 0 HE21 GLN A 58 10.596 -0.639 -12.212 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.863 -0.573 -13.818 1.00 0.00 H new ATOM 821 N ALA A 59 6.454 -1.276 -8.326 1.00 0.00 N ATOM 822 CA ALA A 59 5.101 -1.767 -8.096 1.00 0.00 C ATOM 823 C ALA A 59 4.671 -1.506 -6.638 1.00 0.00 C ATOM 824 O ALA A 59 3.519 -1.189 -6.363 1.00 0.00 O ATOM 825 CB ALA A 59 5.046 -3.261 -8.468 1.00 0.00 C ATOM 0 H ALA A 59 7.132 -2.022 -8.483 1.00 0.00 H new ATOM 0 HA ALA A 59 4.392 -1.231 -8.727 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.038 -3.641 -8.300 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.310 -3.384 -9.518 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.751 -3.816 -7.849 1.00 0.00 H new ATOM 831 N GLU A 60 5.622 -1.568 -5.702 1.00 0.00 N ATOM 832 CA GLU A 60 5.395 -1.312 -4.281 1.00 0.00 C ATOM 833 C GLU A 60 5.334 0.186 -3.965 1.00 0.00 C ATOM 834 O GLU A 60 4.565 0.588 -3.093 1.00 0.00 O ATOM 835 CB GLU A 60 6.497 -1.965 -3.440 1.00 0.00 C ATOM 836 CG GLU A 60 6.437 -3.496 -3.441 1.00 0.00 C ATOM 837 CD GLU A 60 7.596 -4.131 -2.651 1.00 0.00 C ATOM 838 OE1 GLU A 60 7.963 -3.567 -1.603 1.00 0.00 O ATOM 839 OE2 GLU A 60 8.089 -5.192 -3.098 1.00 0.00 O ATOM 0 H GLU A 60 6.591 -1.803 -5.918 1.00 0.00 H new ATOM 0 HA GLU A 60 4.428 -1.748 -4.029 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.469 -1.647 -3.818 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.421 -1.607 -2.413 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.489 -3.820 -3.012 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.461 -3.857 -4.469 1.00 0.00 H new ATOM 846 N SER A 61 6.091 1.026 -4.685 1.00 0.00 N ATOM 847 CA SER A 61 6.069 2.488 -4.541 1.00 0.00 C ATOM 848 C SER A 61 4.679 3.093 -4.700 1.00 0.00 C ATOM 849 O SER A 61 4.376 4.107 -4.076 1.00 0.00 O ATOM 850 CB SER A 61 7.077 3.173 -5.472 1.00 0.00 C ATOM 851 OG SER A 61 6.758 3.346 -6.839 1.00 0.00 O ATOM 0 H SER A 61 6.747 0.703 -5.396 1.00 0.00 H new ATOM 0 HA SER A 61 6.374 2.681 -3.512 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.285 4.160 -5.058 1.00 0.00 H new ATOM 0 HB3 SER A 61 8.005 2.604 -5.423 1.00 0.00 H new ATOM 0 HG SER A 61 6.515 2.481 -7.230 1.00 0.00 H new ATOM 857 N ALA A 62 3.829 2.433 -5.487 1.00 0.00 N ATOM 858 CA ALA A 62 2.431 2.788 -5.666 1.00 0.00 C ATOM 859 C ALA A 62 1.620 2.706 -4.357 1.00 0.00 C ATOM 860 O ALA A 62 0.767 3.554 -4.133 1.00 0.00 O ATOM 861 CB ALA A 62 1.845 1.874 -6.748 1.00 0.00 C ATOM 0 H ALA A 62 4.107 1.615 -6.030 1.00 0.00 H new ATOM 0 HA ALA A 62 2.368 3.831 -5.977 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.794 2.120 -6.902 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.392 2.017 -7.680 1.00 0.00 H new ATOM 0 HB3 ALA A 62 1.932 0.834 -6.432 1.00 0.00 H new ATOM 867 N SER A 63 1.927 1.743 -3.472 1.00 0.00 N ATOM 868 CA SER A 63 1.268 1.557 -2.165 1.00 0.00 C ATOM 869 C SER A 63 1.343 2.813 -1.297 1.00 0.00 C ATOM 870 O SER A 63 0.345 3.215 -0.705 1.00 0.00 O ATOM 871 CB SER A 63 1.938 0.400 -1.409 1.00 0.00 C ATOM 872 OG SER A 63 1.132 -0.149 -0.386 1.00 0.00 O ATOM 0 H SER A 63 2.658 1.054 -3.649 1.00 0.00 H new ATOM 0 HA SER A 63 0.218 1.338 -2.361 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.195 -0.386 -2.119 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.872 0.754 -0.973 1.00 0.00 H new ATOM 0 HG SER A 63 1.704 -0.499 0.329 1.00 0.00 H new ATOM 878 N CYS A 64 2.531 3.426 -1.232 1.00 0.00 N ATOM 879 CA CYS A 64 2.752 4.674 -0.501 1.00 0.00 C ATOM 880 C CYS A 64 2.178 5.895 -1.235 1.00 0.00 C ATOM 881 O CYS A 64 1.614 6.791 -0.610 1.00 0.00 O ATOM 882 CB CYS A 64 4.257 4.868 -0.290 1.00 0.00 C ATOM 883 SG CYS A 64 5.047 3.507 0.600 1.00 0.00 S ATOM 0 H CYS A 64 3.369 3.066 -1.689 1.00 0.00 H new ATOM 0 HA CYS A 64 2.232 4.596 0.454 1.00 0.00 H new ATOM 0 HB2 CYS A 64 4.739 4.984 -1.261 1.00 0.00 H new ATOM 0 HB3 CYS A 64 4.421 5.794 0.260 1.00 0.00 H new ATOM 888 N GLY A 65 2.382 5.965 -2.556 1.00 0.00 N ATOM 889 CA GLY A 65 1.884 7.047 -3.398 1.00 0.00 C ATOM 890 C GLY A 65 3.010 7.879 -4.012 1.00 0.00 C ATOM 891 O GLY A 65 4.079 7.382 -4.369 1.00 0.00 O ATOM 0 H GLY A 65 2.906 5.259 -3.073 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.270 6.629 -4.195 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.239 7.696 -2.806 1.00 0.00 H new ATOM 895 N LYS A 66 2.760 9.179 -4.189 1.00 0.00 N ATOM 896 CA LYS A 66 3.747 10.121 -4.747 1.00 0.00 C ATOM 897 C LYS A 66 4.648 10.712 -3.664 1.00 0.00 C ATOM 898 O LYS A 66 4.212 10.966 -2.552 1.00 0.00 O ATOM 899 CB LYS A 66 3.040 11.242 -5.512 1.00 0.00 C ATOM 900 CG LYS A 66 2.246 10.688 -6.704 1.00 0.00 C ATOM 901 CD LYS A 66 2.124 11.719 -7.830 1.00 0.00 C ATOM 902 CE LYS A 66 1.226 12.884 -7.404 1.00 0.00 C ATOM 903 NZ LYS A 66 1.021 13.831 -8.525 1.00 0.00 N ATOM 0 H LYS A 66 1.868 9.613 -3.951 1.00 0.00 H new ATOM 0 HA LYS A 66 4.380 9.559 -5.434 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.367 11.776 -4.840 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.776 11.964 -5.866 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.736 9.791 -7.083 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.251 10.391 -6.372 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.113 12.094 -8.095 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.714 11.244 -8.721 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.263 12.501 -7.065 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.676 13.406 -6.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.409 14.612 -8.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.939 14.212 -8.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.570 13.335 -9.320 1.00 0.00 H new ATOM 917 N GLY A 67 5.907 10.989 -4.018 1.00 0.00 N ATOM 918 CA GLY A 67 6.903 11.540 -3.083 1.00 0.00 C ATOM 919 C GLY A 67 7.435 10.526 -2.056 1.00 0.00 C ATOM 920 O GLY A 67 8.183 10.889 -1.151 1.00 0.00 O ATOM 0 H GLY A 67 6.268 10.839 -4.960 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.743 11.934 -3.655 1.00 0.00 H new ATOM 0 HA3 GLY A 67 6.458 12.380 -2.550 1.00 0.00 H new ATOM 924 N GLN A 68 7.071 9.249 -2.189 1.00 0.00 N ATOM 925 CA GLN A 68 7.446 8.163 -1.289 1.00 0.00 C ATOM 926 C GLN A 68 7.799 6.913 -2.104 1.00 0.00 C ATOM 927 O GLN A 68 7.330 6.731 -3.232 1.00 0.00 O ATOM 928 CB GLN A 68 6.282 7.899 -0.310 1.00 0.00 C ATOM 929 CG GLN A 68 6.056 8.994 0.751 1.00 0.00 C ATOM 930 CD GLN A 68 7.061 8.883 1.886 1.00 0.00 C ATOM 931 OE1 GLN A 68 8.273 9.334 1.692 1.00 0.00 O flip ATOM 932 NE2 GLN A 68 6.803 8.357 2.950 1.00 0.00 N flip ATOM 0 H GLN A 68 6.482 8.933 -2.960 1.00 0.00 H new ATOM 0 HA GLN A 68 8.327 8.436 -0.709 1.00 0.00 H new ATOM 0 HB2 GLN A 68 5.364 7.778 -0.886 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.465 6.953 0.200 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.138 9.976 0.285 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.045 8.913 1.149 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.865 7.997 3.127 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.524 8.275 3.667 1.00 0.00 H new ATOM 941 N LYS A 69 8.650 6.057 -1.532 1.00 0.00 N ATOM 942 CA LYS A 69 9.117 4.790 -2.100 1.00 0.00 C ATOM 943 C LYS A 69 9.051 3.687 -1.050 1.00 0.00 C ATOM 944 O LYS A 69 9.562 3.830 0.051 1.00 0.00 O ATOM 945 CB LYS A 69 10.553 4.958 -2.633 1.00 0.00 C ATOM 946 CG LYS A 69 10.590 5.535 -4.059 1.00 0.00 C ATOM 947 CD LYS A 69 10.169 4.542 -5.138 1.00 0.00 C ATOM 948 CE LYS A 69 9.869 5.227 -6.470 1.00 0.00 C ATOM 949 NZ LYS A 69 11.135 5.474 -7.203 1.00 0.00 N ATOM 0 H LYS A 69 9.053 6.239 -0.613 1.00 0.00 H new ATOM 0 HA LYS A 69 8.470 4.506 -2.930 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.110 5.614 -1.965 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.056 3.991 -2.623 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.936 6.406 -4.105 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.600 5.883 -4.274 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.960 3.806 -5.280 1.00 0.00 H new ATOM 0 HD3 LYS A 69 9.285 3.999 -4.804 1.00 0.00 H new ATOM 0 HE2 LYS A 69 9.207 4.603 -7.070 1.00 0.00 H new ATOM 0 HE3 LYS A 69 9.349 6.169 -6.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 10.926 5.940 -8.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.753 6.086 -6.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.615 4.569 -7.382 1.00 0.00 H new ATOM 963 N CYS A 70 8.369 2.598 -1.375 1.00 0.00 N ATOM 964 CA CYS A 70 8.251 1.450 -0.480 1.00 0.00 C ATOM 965 C CYS A 70 9.554 0.644 -0.463 1.00 0.00 C ATOM 966 O CYS A 70 9.868 -0.001 -1.460 1.00 0.00 O ATOM 967 CB CYS A 70 7.105 0.560 -0.939 1.00 0.00 C ATOM 968 SG CYS A 70 6.866 -0.809 0.223 1.00 0.00 S ATOM 0 H CYS A 70 7.882 2.483 -2.264 1.00 0.00 H new ATOM 0 HA CYS A 70 8.052 1.813 0.529 1.00 0.00 H new ATOM 0 HB2 CYS A 70 6.189 1.146 -1.015 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.316 0.168 -1.934 1.00 0.00 H new ATOM 973 N CYS A 71 10.313 0.709 0.627 1.00 0.00 N ATOM 974 CA CYS A 71 11.555 -0.043 0.781 1.00 0.00 C ATOM 975 C CYS A 71 11.351 -1.323 1.592 1.00 0.00 C ATOM 976 O CYS A 71 10.456 -1.376 2.431 1.00 0.00 O ATOM 977 CB CYS A 71 12.586 0.835 1.480 1.00 0.00 C ATOM 978 SG CYS A 71 13.381 2.026 0.380 1.00 0.00 S ATOM 0 H CYS A 71 10.082 1.289 1.434 1.00 0.00 H new ATOM 0 HA CYS A 71 11.901 -0.329 -0.212 1.00 0.00 H new ATOM 0 HB2 CYS A 71 12.101 1.372 2.295 1.00 0.00 H new ATOM 0 HB3 CYS A 71 13.350 0.199 1.927 1.00 0.00 H new ATOM 983 N VAL A 72 12.240 -2.304 1.428 1.00 0.00 N ATOM 984 CA VAL A 72 12.196 -3.591 2.148 1.00 0.00 C ATOM 985 C VAL A 72 13.278 -3.650 3.226 1.00 0.00 C ATOM 986 O VAL A 72 14.426 -3.266 2.985 1.00 0.00 O ATOM 987 CB VAL A 72 12.334 -4.782 1.179 1.00 0.00 C ATOM 988 CG1 VAL A 72 12.116 -6.148 1.862 1.00 0.00 C ATOM 989 CG2 VAL A 72 11.336 -4.668 0.017 1.00 0.00 C ATOM 0 H VAL A 72 13.026 -2.232 0.782 1.00 0.00 H new ATOM 0 HA VAL A 72 11.222 -3.663 2.632 1.00 0.00 H new ATOM 0 HB VAL A 72 13.360 -4.737 0.812 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.227 -6.944 1.126 1.00 0.00 H new ATOM 0 HG12 VAL A 72 12.853 -6.281 2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.114 -6.185 2.289 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.456 -5.521 -0.651 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.320 -4.655 0.410 1.00 0.00 H new ATOM 0 HG23 VAL A 72 11.523 -3.747 -0.535 1.00 0.00 H new ATOM 999 N TRP A 73 12.920 -4.178 4.402 1.00 0.00 N ATOM 1000 CA TRP A 73 13.829 -4.391 5.533 1.00 0.00 C ATOM 1001 C TRP A 73 14.244 -5.840 5.758 1.00 0.00 C ATOM 1002 O TRP A 73 15.442 -6.129 5.839 1.00 0.00 O ATOM 1003 CB TRP A 73 13.193 -3.845 6.812 1.00 0.00 C ATOM 1004 CG TRP A 73 13.053 -2.363 6.829 1.00 0.00 C ATOM 1005 CD1 TRP A 73 11.908 -1.686 7.057 1.00 0.00 C ATOM 1006 CD2 TRP A 73 14.087 -1.365 6.579 1.00 0.00 C ATOM 1007 NE1 TRP A 73 12.165 -0.331 6.982 1.00 0.00 N ATOM 1008 CE2 TRP A 73 13.488 -0.077 6.674 1.00 0.00 C ATOM 1009 CE3 TRP A 73 15.464 -1.419 6.268 1.00 0.00 C ATOM 1010 CZ2 TRP A 73 14.223 1.099 6.467 1.00 0.00 C ATOM 1011 CZ3 TRP A 73 16.211 -0.247 6.053 1.00 0.00 C ATOM 1012 CH2 TRP A 73 15.594 1.010 6.152 1.00 0.00 C ATOM 0 H TRP A 73 11.965 -4.477 4.598 1.00 0.00 H new ATOM 0 HA TRP A 73 14.743 -3.854 5.278 1.00 0.00 H new ATOM 0 HB2 TRP A 73 12.208 -4.295 6.937 1.00 0.00 H new ATOM 0 HB3 TRP A 73 13.796 -4.153 7.666 1.00 0.00 H new ATOM 0 HD1 TRP A 73 10.946 -2.132 7.265 1.00 0.00 H new ATOM 0 HE1 TRP A 73 11.464 0.394 7.135 1.00 0.00 H new ATOM 0 HE3 TRP A 73 15.953 -2.379 6.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 13.743 2.063 6.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 17.261 -0.314 5.811 1.00 0.00 H new ATOM 0 HH2 TRP A 73 16.170 1.909 5.987 1.00 0.00 H new ATOM 1023 N LEU A 74 13.264 -6.729 5.945 1.00 0.00 N ATOM 1024 CA LEU A 74 13.493 -8.166 6.074 1.00 0.00 C ATOM 1025 C LEU A 74 14.341 -8.658 4.892 1.00 0.00 C ATOM 1026 O LEU A 74 14.014 -8.416 3.732 1.00 0.00 O ATOM 1027 CB LEU A 74 12.166 -8.935 6.168 1.00 0.00 C ATOM 1028 CG LEU A 74 11.566 -9.019 7.587 1.00 0.00 C ATOM 1029 CD1 LEU A 74 10.810 -7.745 7.973 1.00 0.00 C ATOM 1030 CD2 LEU A 74 10.642 -10.237 7.669 1.00 0.00 C ATOM 0 H LEU A 74 12.281 -6.466 6.011 1.00 0.00 H new ATOM 0 HA LEU A 74 14.037 -8.355 7.000 1.00 0.00 H new ATOM 0 HB2 LEU A 74 11.439 -8.460 5.509 1.00 0.00 H new ATOM 0 HB3 LEU A 74 12.321 -9.947 5.794 1.00 0.00 H new ATOM 0 HG LEU A 74 12.386 -9.124 8.298 1.00 0.00 H new ATOM 0 HD11 LEU A 74 10.406 -7.852 8.980 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.491 -6.895 7.944 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.993 -7.579 7.270 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.214 -10.303 8.669 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.840 -10.135 6.938 1.00 0.00 H new ATOM 0 HD23 LEU A 74 11.213 -11.141 7.458 1.00 0.00 H new ATOM 1042 N HIS A 75 15.482 -9.264 5.229 1.00 0.00 N ATOM 1043 CA HIS A 75 16.421 -9.851 4.271 1.00 0.00 C ATOM 1044 C HIS A 75 15.785 -11.021 3.519 1.00 0.00 C ATOM 1045 O HIS A 75 15.123 -11.827 4.207 1.00 0.00 O ATOM 1046 CB HIS A 75 17.703 -10.312 4.984 1.00 0.00 C ATOM 1047 CG HIS A 75 18.477 -9.202 5.657 1.00 0.00 C ATOM 1048 ND1 HIS A 75 18.059 -8.471 6.752 1.00 0.00 N ATOM 1049 CD2 HIS A 75 19.698 -8.723 5.273 1.00 0.00 C ATOM 1050 CE1 HIS A 75 19.006 -7.554 7.029 1.00 0.00 C ATOM 1051 NE2 HIS A 75 20.017 -7.691 6.143 1.00 0.00 N ATOM 1052 OXT HIS A 75 16.058 -11.101 2.303 1.00 0.00 O ATOM 0 H HIS A 75 15.785 -9.362 6.198 1.00 0.00 H new ATOM 0 HA HIS A 75 16.680 -9.081 3.545 1.00 0.00 H new ATOM 0 HB2 HIS A 75 17.439 -11.060 5.732 1.00 0.00 H new ATOM 0 HB3 HIS A 75 18.352 -10.802 4.258 1.00 0.00 H new ATOM 0 HD2 HIS A 75 20.299 -9.080 4.450 1.00 0.00 H new ATOM 0 HE1 HIS A 75 18.964 -6.829 7.828 1.00 0.00 H new ATOM 0 HE2 HIS A 75 20.869 -7.131 6.118 1.00 0.00 H new TER 1061 HIS A 75