USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 447 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 SER OG : rot -68:sc= 1 USER MOD Set 1.2: A 48 LYS NZ :NH3+ -179:sc= -0.282 (180deg=-0.66) USER MOD Set 2.1: A 16 THR OG1 : rot 180:sc= 0.532 USER MOD Set 2.2: A 51 THR OG1 : rot 148:sc= -1.55 USER MOD Single : A 1 PHE N :NH3+ 162:sc= 2.14 (180deg=1.07!) USER MOD Single : A 6 GLN : amide:sc= 0.863 K(o=0.86,f=-0.13) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0383 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= 1.23 K(o=1.2,f=-0.12) USER MOD Single : A 21 LYS NZ :NH3+ -150:sc= 1.16 (180deg=-0.0237!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 38:sc= 1.25 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 176:sc= 1.58 (180deg=1.26) USER MOD Single : A 41 ASN : amide:sc= 0.265 K(o=0.27,f=-1.5) USER MOD Single : A 46 LYS NZ :NH3+ 151:sc= 1.32 (180deg=-1.8!) USER MOD Single : A 57 MET CE :methyl -173:sc= -0.0134 (180deg=-0.113) USER MOD Single : A 58 ASN : amide:sc= -0.389 X(o=-0.39,f=0) USER MOD Single : A 60 LYS NZ :NH3+ -171:sc= -1.05! (180deg=-1.24!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 6.315 4.858 3.104 1.00 0.00 N ATOM 2 CA PHE A 1 5.077 4.267 2.537 1.00 0.00 C ATOM 3 C PHE A 1 4.038 5.327 2.409 1.00 0.00 C ATOM 4 O PHE A 1 3.621 5.646 1.335 1.00 0.00 O ATOM 5 CB PHE A 1 4.507 3.159 3.419 1.00 0.00 C ATOM 6 CG PHE A 1 5.462 2.092 3.747 1.00 0.00 C ATOM 7 CD1 PHE A 1 5.632 0.994 2.919 1.00 0.00 C ATOM 8 CD2 PHE A 1 6.189 2.191 4.898 1.00 0.00 C ATOM 9 CE1 PHE A 1 6.533 0.002 3.253 1.00 0.00 C ATOM 10 CE2 PHE A 1 7.095 1.210 5.250 1.00 0.00 C ATOM 11 CZ PHE A 1 7.268 0.110 4.424 1.00 0.00 C ATOM 0 H1 PHE A 1 6.922 4.100 3.476 1.00 0.00 H new ATOM 0 H2 PHE A 1 6.824 5.376 2.360 1.00 0.00 H new ATOM 0 H3 PHE A 1 6.067 5.512 3.874 1.00 0.00 H new ATOM 0 HA PHE A 1 5.339 3.842 1.568 1.00 0.00 H new ATOM 0 HB2 PHE A 1 4.142 3.601 4.346 1.00 0.00 H new ATOM 0 HB3 PHE A 1 3.646 2.718 2.916 1.00 0.00 H new ATOM 0 HD1 PHE A 1 5.057 0.914 2.008 1.00 0.00 H new ATOM 0 HD2 PHE A 1 6.054 3.048 5.542 1.00 0.00 H new ATOM 0 HE1 PHE A 1 6.664 -0.853 2.606 1.00 0.00 H new ATOM 0 HE2 PHE A 1 7.665 1.299 6.163 1.00 0.00 H new ATOM 0 HZ PHE A 1 7.974 -0.662 4.692 1.00 0.00 H new ATOM 21 N CYS A 2 3.611 5.864 3.516 1.00 0.00 N ATOM 22 CA CYS A 2 2.656 6.957 3.480 1.00 0.00 C ATOM 23 C CYS A 2 3.070 8.094 4.410 1.00 0.00 C ATOM 24 O CYS A 2 2.904 9.288 4.085 1.00 0.00 O ATOM 25 CB CYS A 2 1.246 6.468 3.798 1.00 0.00 C ATOM 26 SG CYS A 2 0.576 5.257 2.618 1.00 0.00 S ATOM 0 H CYS A 2 3.900 5.573 4.450 1.00 0.00 H new ATOM 0 HA CYS A 2 2.650 7.353 2.464 1.00 0.00 H new ATOM 0 HB2 CYS A 2 1.246 6.023 4.793 1.00 0.00 H new ATOM 0 HB3 CYS A 2 0.577 7.328 3.834 1.00 0.00 H new ATOM 31 N GLU A 3 3.660 7.704 5.508 1.00 0.00 N ATOM 32 CA GLU A 3 4.098 8.558 6.597 1.00 0.00 C ATOM 33 C GLU A 3 5.034 9.699 6.170 1.00 0.00 C ATOM 34 O GLU A 3 4.642 10.852 6.181 1.00 0.00 O ATOM 35 CB GLU A 3 4.705 7.691 7.752 1.00 0.00 C ATOM 36 CG GLU A 3 5.929 6.780 7.434 1.00 0.00 C ATOM 37 CD GLU A 3 5.836 6.031 6.123 1.00 0.00 C ATOM 38 OE1 GLU A 3 4.887 5.260 5.898 1.00 0.00 O ATOM 39 OE2 GLU A 3 6.628 6.319 5.244 1.00 0.00 O ATOM 0 H GLU A 3 3.864 6.720 5.684 1.00 0.00 H new ATOM 0 HA GLU A 3 3.209 9.068 6.969 1.00 0.00 H new ATOM 0 HB2 GLU A 3 4.995 8.367 8.556 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.910 7.055 8.141 1.00 0.00 H new ATOM 0 HG2 GLU A 3 6.829 7.395 7.422 1.00 0.00 H new ATOM 0 HG3 GLU A 3 6.047 6.058 8.242 1.00 0.00 H new ATOM 46 N ARG A 4 6.249 9.374 5.784 1.00 0.00 N ATOM 47 CA ARG A 4 7.221 10.384 5.393 1.00 0.00 C ATOM 48 C ARG A 4 6.832 11.000 4.047 1.00 0.00 C ATOM 49 O ARG A 4 7.245 12.102 3.713 1.00 0.00 O ATOM 50 CB ARG A 4 8.677 9.777 5.323 1.00 0.00 C ATOM 51 CG ARG A 4 9.084 9.128 3.971 1.00 0.00 C ATOM 52 CD ARG A 4 9.669 10.169 2.981 1.00 0.00 C ATOM 53 NE ARG A 4 9.313 9.889 1.583 1.00 0.00 N ATOM 54 CZ ARG A 4 9.534 10.699 0.529 1.00 0.00 C ATOM 55 NH1 ARG A 4 10.323 11.763 0.626 1.00 0.00 N ATOM 56 NH2 ARG A 4 8.960 10.436 -0.620 1.00 0.00 N ATOM 0 H ARG A 4 6.593 8.415 5.731 1.00 0.00 H new ATOM 0 HA ARG A 4 7.221 11.167 6.152 1.00 0.00 H new ATOM 0 HB2 ARG A 4 9.390 10.569 5.551 1.00 0.00 H new ATOM 0 HB3 ARG A 4 8.773 9.026 6.107 1.00 0.00 H new ATOM 0 HG2 ARG A 4 9.821 8.345 4.152 1.00 0.00 H new ATOM 0 HG3 ARG A 4 8.214 8.649 3.522 1.00 0.00 H new ATOM 0 HD2 ARG A 4 9.309 11.162 3.251 1.00 0.00 H new ATOM 0 HD3 ARG A 4 10.755 10.186 3.078 1.00 0.00 H new ATOM 0 HE ARG A 4 8.855 8.997 1.393 1.00 0.00 H new ATOM 0 HH11 ARG A 4 10.777 11.982 1.513 1.00 0.00 H new ATOM 0 HH12 ARG A 4 10.475 12.361 -0.186 1.00 0.00 H new ATOM 0 HH21 ARG A 4 8.351 9.623 -0.712 1.00 0.00 H new ATOM 0 HH22 ARG A 4 9.122 11.044 -1.422 1.00 0.00 H new ATOM 70 N GLU A 5 6.031 10.264 3.304 1.00 0.00 N ATOM 71 CA GLU A 5 5.735 10.575 1.930 1.00 0.00 C ATOM 72 C GLU A 5 4.810 11.770 1.810 1.00 0.00 C ATOM 73 O GLU A 5 5.153 12.778 1.207 1.00 0.00 O ATOM 74 CB GLU A 5 5.028 9.400 1.288 1.00 0.00 C ATOM 75 CG GLU A 5 5.553 8.028 1.645 1.00 0.00 C ATOM 76 CD GLU A 5 6.976 7.751 1.310 1.00 0.00 C ATOM 77 OE1 GLU A 5 7.491 8.297 0.334 1.00 0.00 O ATOM 78 OE2 GLU A 5 7.581 6.932 2.012 1.00 0.00 O ATOM 0 H GLU A 5 5.564 9.424 3.646 1.00 0.00 H new ATOM 0 HA GLU A 5 6.683 10.797 1.439 1.00 0.00 H new ATOM 0 HB2 GLU A 5 3.973 9.445 1.560 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.083 9.517 0.206 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.421 7.881 2.717 1.00 0.00 H new ATOM 0 HG3 GLU A 5 4.934 7.285 1.142 1.00 0.00 H new ATOM 85 N GLN A 6 3.612 11.630 2.363 1.00 0.00 N ATOM 86 CA GLN A 6 2.552 12.617 2.185 1.00 0.00 C ATOM 87 C GLN A 6 1.907 12.874 3.516 1.00 0.00 C ATOM 88 O GLN A 6 0.866 13.509 3.602 1.00 0.00 O ATOM 89 CB GLN A 6 1.492 12.009 1.272 1.00 0.00 C ATOM 90 CG GLN A 6 1.998 11.520 -0.071 1.00 0.00 C ATOM 91 CD GLN A 6 2.322 12.663 -1.037 1.00 0.00 C ATOM 92 OE1 GLN A 6 1.483 13.087 -1.807 1.00 0.00 O ATOM 93 NE2 GLN A 6 3.516 13.195 -0.972 1.00 0.00 N ATOM 0 H GLN A 6 3.348 10.835 2.944 1.00 0.00 H new ATOM 0 HA GLN A 6 2.958 13.538 1.767 1.00 0.00 H new ATOM 0 HB2 GLN A 6 1.024 11.173 1.792 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.714 12.753 1.100 1.00 0.00 H new ATOM 0 HG2 GLN A 6 2.892 10.915 0.081 1.00 0.00 H new ATOM 0 HG3 GLN A 6 1.247 10.871 -0.522 1.00 0.00 H new ATOM 0 HE21 GLN A 6 4.205 12.823 -0.318 1.00 0.00 H new ATOM 0 HE22 GLN A 6 3.757 13.981 -1.575 1.00 0.00 H new ATOM 102 N GLN A 7 2.546 12.349 4.547 1.00 0.00 N ATOM 103 CA GLN A 7 2.049 12.352 5.911 1.00 0.00 C ATOM 104 C GLN A 7 0.698 11.631 6.033 1.00 0.00 C ATOM 105 O GLN A 7 -0.073 11.854 6.960 1.00 0.00 O ATOM 106 CB GLN A 7 2.035 13.751 6.508 1.00 0.00 C ATOM 107 CG GLN A 7 3.413 14.377 6.553 1.00 0.00 C ATOM 108 CD GLN A 7 3.409 15.764 7.157 1.00 0.00 C ATOM 109 OE1 GLN A 7 3.258 16.760 6.470 1.00 0.00 O ATOM 110 NE2 GLN A 7 3.570 15.838 8.456 1.00 0.00 N ATOM 0 H GLN A 7 3.454 11.894 4.454 1.00 0.00 H new ATOM 0 HA GLN A 7 2.752 11.775 6.513 1.00 0.00 H new ATOM 0 HB2 GLN A 7 1.370 14.386 5.922 1.00 0.00 H new ATOM 0 HB3 GLN A 7 1.626 13.707 7.518 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.079 13.736 7.131 1.00 0.00 H new ATOM 0 HG3 GLN A 7 3.817 14.427 5.542 1.00 0.00 H new ATOM 0 HE21 GLN A 7 3.694 14.987 9.004 1.00 0.00 H new ATOM 0 HE22 GLN A 7 3.571 16.747 8.919 1.00 0.00 H new ATOM 119 N LEU A 8 0.485 10.709 5.129 1.00 0.00 N ATOM 120 CA LEU A 8 -0.694 9.918 5.078 1.00 0.00 C ATOM 121 C LEU A 8 -0.534 8.713 5.906 1.00 0.00 C ATOM 122 O LEU A 8 0.575 8.299 6.251 1.00 0.00 O ATOM 123 CB LEU A 8 -1.017 9.526 3.634 1.00 0.00 C ATOM 124 CG LEU A 8 -1.584 10.640 2.775 1.00 0.00 C ATOM 125 CD1 LEU A 8 -1.550 10.275 1.289 1.00 0.00 C ATOM 126 CD2 LEU A 8 -3.013 10.962 3.199 1.00 0.00 C ATOM 0 H LEU A 8 1.154 10.490 4.391 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.522 10.508 5.470 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.107 9.153 3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.730 8.701 3.649 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.959 11.521 2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.964 11.096 0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.520 10.094 0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.142 9.375 1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.406 11.763 2.573 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.635 10.074 3.085 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.020 11.279 4.242 1.00 0.00 H new ATOM 138 N GLU A 9 -1.618 8.174 6.218 1.00 0.00 N ATOM 139 CA GLU A 9 -1.683 6.953 6.958 1.00 0.00 C ATOM 140 C GLU A 9 -1.646 5.868 5.922 1.00 0.00 C ATOM 141 O GLU A 9 -2.017 6.109 4.784 1.00 0.00 O ATOM 142 CB GLU A 9 -2.993 6.892 7.687 1.00 0.00 C ATOM 143 CG GLU A 9 -3.140 5.807 8.734 1.00 0.00 C ATOM 144 CD GLU A 9 -4.537 5.816 9.296 1.00 0.00 C ATOM 145 OE1 GLU A 9 -4.793 6.540 10.278 1.00 0.00 O ATOM 146 OE2 GLU A 9 -5.423 5.183 8.700 1.00 0.00 O ATOM 0 H GLU A 9 -2.530 8.559 5.972 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.875 6.862 7.684 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.159 7.855 8.170 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.786 6.764 6.951 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.923 4.834 8.293 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.417 5.963 9.534 1.00 0.00 H new ATOM 153 N SER A 10 -1.165 4.748 6.261 1.00 0.00 N ATOM 154 CA SER A 10 -1.101 3.662 5.380 1.00 0.00 C ATOM 155 C SER A 10 -2.388 2.856 5.438 1.00 0.00 C ATOM 156 O SER A 10 -3.075 2.870 6.454 1.00 0.00 O ATOM 157 CB SER A 10 0.019 2.841 5.860 1.00 0.00 C ATOM 158 OG SER A 10 -0.221 2.405 7.198 1.00 0.00 O ATOM 0 H SER A 10 -0.792 4.552 7.190 1.00 0.00 H new ATOM 0 HA SER A 10 -0.966 3.987 4.348 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.151 1.978 5.208 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.944 3.416 5.819 1.00 0.00 H new ATOM 0 HG SER A 10 0.532 1.858 7.504 1.00 0.00 H new ATOM 164 N CYS A 11 -2.695 2.144 4.400 1.00 0.00 N ATOM 165 CA CYS A 11 -3.865 1.310 4.400 1.00 0.00 C ATOM 166 C CYS A 11 -3.629 0.202 3.379 1.00 0.00 C ATOM 167 O CYS A 11 -2.597 0.201 2.697 1.00 0.00 O ATOM 168 CB CYS A 11 -5.141 2.131 4.050 1.00 0.00 C ATOM 169 SG CYS A 11 -5.413 2.392 2.289 1.00 0.00 S ATOM 0 H CYS A 11 -2.152 2.120 3.537 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.031 0.888 5.391 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -6.010 1.620 4.466 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.077 3.102 4.541 1.00 0.00 H new ATOM 174 N ALA A 12 -4.535 -0.725 3.275 1.00 0.00 N ATOM 175 CA ALA A 12 -4.415 -1.779 2.308 1.00 0.00 C ATOM 176 C ALA A 12 -5.654 -1.769 1.463 1.00 0.00 C ATOM 177 O ALA A 12 -6.763 -1.743 1.999 1.00 0.00 O ATOM 178 CB ALA A 12 -4.235 -3.126 2.996 1.00 0.00 C ATOM 0 H ALA A 12 -5.374 -0.773 3.854 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.536 -1.620 1.684 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.146 -3.910 2.244 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.332 -3.105 3.606 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.098 -3.328 3.631 1.00 0.00 H new ATOM 184 N CYS A 13 -5.483 -1.729 0.165 1.00 0.00 N ATOM 185 CA CYS A 13 -6.597 -1.710 -0.733 1.00 0.00 C ATOM 186 C CYS A 13 -7.413 -2.996 -0.660 1.00 0.00 C ATOM 187 O CYS A 13 -6.867 -4.091 -0.560 1.00 0.00 O ATOM 188 CB CYS A 13 -6.135 -1.367 -2.152 1.00 0.00 C ATOM 189 SG CYS A 13 -5.501 0.362 -2.300 1.00 0.00 S ATOM 0 H CYS A 13 -4.571 -1.709 -0.291 1.00 0.00 H new ATOM 0 HA CYS A 13 -7.278 -0.919 -0.419 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.352 -2.063 -2.453 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -6.966 -1.505 -2.843 1.00 0.00 H new ATOM 194 N ASN A 14 -8.742 -2.818 -0.654 1.00 0.00 N ATOM 195 CA ASN A 14 -9.739 -3.912 -0.573 1.00 0.00 C ATOM 196 C ASN A 14 -9.623 -4.847 -1.773 1.00 0.00 C ATOM 197 O ASN A 14 -10.092 -5.974 -1.758 1.00 0.00 O ATOM 198 CB ASN A 14 -11.151 -3.297 -0.539 1.00 0.00 C ATOM 199 CG ASN A 14 -12.283 -4.310 -0.319 1.00 0.00 C ATOM 200 OD1 ASN A 14 -12.649 -4.604 0.803 1.00 0.00 O ATOM 201 ND2 ASN A 14 -12.863 -4.817 -1.388 1.00 0.00 N ATOM 0 H ASN A 14 -9.169 -1.893 -0.706 1.00 0.00 H new ATOM 0 HA ASN A 14 -9.553 -4.491 0.332 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -11.189 -2.551 0.255 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.328 -2.773 -1.478 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -13.638 -5.472 -1.285 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -12.537 -4.554 -2.318 1.00 0.00 H new ATOM 208 N GLU A 15 -9.030 -4.346 -2.818 1.00 0.00 N ATOM 209 CA GLU A 15 -8.800 -5.094 -3.976 1.00 0.00 C ATOM 210 C GLU A 15 -7.603 -6.033 -3.691 1.00 0.00 C ATOM 211 O GLU A 15 -6.627 -5.624 -3.059 1.00 0.00 O ATOM 212 CB GLU A 15 -8.577 -4.128 -5.164 1.00 0.00 C ATOM 213 CG GLU A 15 -8.606 -4.751 -6.562 1.00 0.00 C ATOM 214 CD GLU A 15 -7.429 -5.626 -6.809 1.00 0.00 C ATOM 215 OE1 GLU A 15 -6.325 -5.092 -6.845 1.00 0.00 O ATOM 216 OE2 GLU A 15 -7.587 -6.858 -6.886 1.00 0.00 O ATOM 0 H GLU A 15 -8.694 -3.384 -2.870 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.650 -5.718 -4.252 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.340 -3.351 -5.120 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.613 -3.637 -5.029 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.520 -5.332 -6.681 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.632 -3.959 -7.311 1.00 0.00 H new ATOM 223 N THR A 16 -7.699 -7.255 -4.153 1.00 0.00 N ATOM 224 CA THR A 16 -6.731 -8.298 -3.894 1.00 0.00 C ATOM 225 C THR A 16 -5.316 -7.947 -4.304 1.00 0.00 C ATOM 226 O THR A 16 -4.382 -8.062 -3.493 1.00 0.00 O ATOM 227 CB THR A 16 -7.156 -9.606 -4.581 1.00 0.00 C ATOM 228 OG1 THR A 16 -8.377 -10.071 -3.978 1.00 0.00 O ATOM 229 CG2 THR A 16 -6.067 -10.677 -4.462 1.00 0.00 C ATOM 0 H THR A 16 -8.476 -7.563 -4.738 1.00 0.00 H new ATOM 0 HA THR A 16 -6.717 -8.421 -2.811 1.00 0.00 H new ATOM 0 HB THR A 16 -7.312 -9.413 -5.642 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.658 -10.905 -4.410 1.00 0.00 H new ATOM 0 HG21 THR A 16 -6.398 -11.589 -4.958 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.152 -10.319 -4.934 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.875 -10.885 -3.409 1.00 0.00 H new ATOM 237 N ASP A 17 -5.149 -7.513 -5.503 1.00 0.00 N ATOM 238 CA ASP A 17 -3.831 -7.267 -6.013 1.00 0.00 C ATOM 239 C ASP A 17 -3.265 -5.997 -5.406 1.00 0.00 C ATOM 240 O ASP A 17 -2.075 -5.926 -5.004 1.00 0.00 O ATOM 241 CB ASP A 17 -3.869 -7.152 -7.514 1.00 0.00 C ATOM 242 CG ASP A 17 -2.511 -6.882 -8.108 1.00 0.00 C ATOM 243 OD1 ASP A 17 -1.666 -7.797 -8.128 1.00 0.00 O ATOM 244 OD2 ASP A 17 -2.247 -5.727 -8.520 1.00 0.00 O ATOM 0 H ASP A 17 -5.907 -7.318 -6.158 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.187 -8.104 -5.741 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.269 -8.074 -7.935 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -4.551 -6.350 -7.796 1.00 0.00 H new ATOM 249 N ASN A 18 -4.126 -5.009 -5.255 1.00 0.00 N ATOM 250 CA ASN A 18 -3.731 -3.737 -4.735 1.00 0.00 C ATOM 251 C ASN A 18 -3.560 -3.748 -3.263 1.00 0.00 C ATOM 252 O ASN A 18 -3.133 -2.767 -2.689 1.00 0.00 O ATOM 253 CB ASN A 18 -4.632 -2.603 -5.198 1.00 0.00 C ATOM 254 CG ASN A 18 -4.351 -2.203 -6.636 1.00 0.00 C ATOM 255 OD1 ASN A 18 -3.564 -1.292 -6.894 1.00 0.00 O ATOM 256 ND2 ASN A 18 -4.931 -2.906 -7.573 1.00 0.00 N ATOM 0 H ASN A 18 -5.116 -5.077 -5.492 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.747 -3.539 -5.160 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.675 -2.907 -5.103 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.491 -1.740 -4.548 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.737 -2.707 -8.554 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.578 -3.654 -7.323 1.00 0.00 H new ATOM 263 N SER A 19 -3.850 -4.864 -2.636 1.00 0.00 N ATOM 264 CA SER A 19 -3.587 -4.973 -1.222 1.00 0.00 C ATOM 265 C SER A 19 -2.054 -4.988 -0.996 1.00 0.00 C ATOM 266 O SER A 19 -1.585 -4.773 0.099 1.00 0.00 O ATOM 267 CB SER A 19 -4.214 -6.258 -0.633 1.00 0.00 C ATOM 268 OG SER A 19 -3.542 -7.410 -1.095 1.00 0.00 O ATOM 0 H SER A 19 -4.259 -5.691 -3.071 1.00 0.00 H new ATOM 0 HA SER A 19 -4.035 -4.118 -0.715 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.172 -6.221 0.456 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.267 -6.312 -0.910 1.00 0.00 H new ATOM 0 HG SER A 19 -3.707 -7.523 -2.054 1.00 0.00 H new ATOM 274 N CYS A 20 -1.287 -5.305 -2.054 1.00 0.00 N ATOM 275 CA CYS A 20 0.179 -5.400 -1.960 1.00 0.00 C ATOM 276 C CYS A 20 0.867 -4.119 -2.235 1.00 0.00 C ATOM 277 O CYS A 20 2.057 -3.974 -1.990 1.00 0.00 O ATOM 278 CB CYS A 20 0.699 -6.454 -2.876 1.00 0.00 C ATOM 279 SG CYS A 20 0.113 -8.075 -2.436 1.00 0.00 S ATOM 0 H CYS A 20 -1.659 -5.500 -2.984 1.00 0.00 H new ATOM 0 HA CYS A 20 0.397 -5.667 -0.926 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.398 -6.226 -3.898 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.789 -6.445 -2.856 1.00 0.00 H new ATOM 284 N LYS A 21 0.155 -3.207 -2.734 1.00 0.00 N ATOM 285 CA LYS A 21 0.681 -1.948 -2.978 1.00 0.00 C ATOM 286 C LYS A 21 0.259 -1.076 -1.928 1.00 0.00 C ATOM 287 O LYS A 21 -0.786 -1.262 -1.315 1.00 0.00 O ATOM 288 CB LYS A 21 0.389 -1.429 -4.388 1.00 0.00 C ATOM 289 CG LYS A 21 1.331 -1.992 -5.460 1.00 0.00 C ATOM 290 CD LYS A 21 1.129 -3.479 -5.801 1.00 0.00 C ATOM 291 CE LYS A 21 -0.108 -3.722 -6.659 1.00 0.00 C ATOM 292 NZ LYS A 21 -0.223 -5.143 -7.065 1.00 0.00 N ATOM 0 H LYS A 21 -0.827 -3.317 -2.988 1.00 0.00 H new ATOM 0 HA LYS A 21 1.770 -2.000 -2.965 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.638 -1.679 -4.652 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.462 -0.341 -4.388 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.207 -1.408 -6.372 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.359 -1.849 -5.127 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.009 -3.850 -6.326 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.044 -4.051 -4.877 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.999 -3.429 -6.104 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.064 -3.092 -7.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.703 -5.203 -7.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.727 -5.560 -7.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.773 -5.664 -6.353 1.00 0.00 H new ATOM 306 N VAL A 22 1.132 -0.220 -1.638 1.00 0.00 N ATOM 307 CA VAL A 22 0.981 0.664 -0.592 1.00 0.00 C ATOM 308 C VAL A 22 -0.087 1.623 -0.887 1.00 0.00 C ATOM 309 O VAL A 22 0.002 2.412 -1.802 1.00 0.00 O ATOM 310 CB VAL A 22 2.275 1.378 -0.312 1.00 0.00 C ATOM 311 CG1 VAL A 22 2.079 2.389 0.805 1.00 0.00 C ATOM 312 CG2 VAL A 22 3.353 0.338 0.008 1.00 0.00 C ATOM 0 H VAL A 22 2.009 -0.114 -2.148 1.00 0.00 H new ATOM 0 HA VAL A 22 0.703 0.102 0.300 1.00 0.00 H new ATOM 0 HB VAL A 22 2.604 1.941 -1.186 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.021 2.901 1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.325 3.118 0.508 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.751 1.874 1.708 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.297 0.843 0.213 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.053 -0.240 0.882 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.477 -0.331 -0.843 1.00 0.00 H new ATOM 322 N CYS A 23 -1.105 1.458 -0.200 1.00 0.00 N ATOM 323 CA CYS A 23 -2.181 2.361 -0.238 1.00 0.00 C ATOM 324 C CYS A 23 -2.093 3.244 0.992 1.00 0.00 C ATOM 325 O CYS A 23 -1.496 2.861 2.008 1.00 0.00 O ATOM 326 CB CYS A 23 -3.497 1.616 -0.283 1.00 0.00 C ATOM 327 SG CYS A 23 -3.592 0.303 -1.577 1.00 0.00 S ATOM 0 H CYS A 23 -1.240 0.671 0.434 1.00 0.00 H new ATOM 0 HA CYS A 23 -2.130 2.976 -1.137 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -3.676 1.161 0.691 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -4.300 2.333 -0.452 1.00 0.00 H new ATOM 332 N CYS A 24 -2.661 4.388 0.904 1.00 0.00 N ATOM 333 CA CYS A 24 -2.646 5.351 1.930 1.00 0.00 C ATOM 334 C CYS A 24 -4.067 5.652 2.266 1.00 0.00 C ATOM 335 O CYS A 24 -4.963 5.395 1.450 1.00 0.00 O ATOM 336 CB CYS A 24 -1.921 6.615 1.477 1.00 0.00 C ATOM 337 SG CYS A 24 -0.149 6.400 1.100 1.00 0.00 S ATOM 0 H CYS A 24 -3.172 4.689 0.074 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.113 4.974 2.803 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.421 7.003 0.589 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -2.021 7.371 2.256 1.00 0.00 H new ATOM 342 N ARG A 25 -4.293 6.199 3.408 1.00 0.00 N ATOM 343 CA ARG A 25 -5.608 6.378 3.868 1.00 0.00 C ATOM 344 C ARG A 25 -5.880 7.847 3.892 1.00 0.00 C ATOM 345 O ARG A 25 -5.142 8.614 4.517 1.00 0.00 O ATOM 346 CB ARG A 25 -5.727 5.722 5.232 1.00 0.00 C ATOM 347 CG ARG A 25 -7.127 5.349 5.633 1.00 0.00 C ATOM 348 CD ARG A 25 -7.833 6.477 6.358 1.00 0.00 C ATOM 349 NE ARG A 25 -7.151 6.852 7.603 1.00 0.00 N ATOM 350 CZ ARG A 25 -7.300 8.003 8.259 1.00 0.00 C ATOM 351 NH1 ARG A 25 -8.025 8.998 7.727 1.00 0.00 N ATOM 352 NH2 ARG A 25 -6.671 8.186 9.418 1.00 0.00 N ATOM 0 H ARG A 25 -3.567 6.532 4.043 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.352 5.912 3.222 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.110 4.824 5.242 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.318 6.399 5.982 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.697 5.077 4.745 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.097 4.469 6.275 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.892 7.346 5.703 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -8.856 6.177 6.583 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.505 6.171 8.002 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.466 8.877 6.815 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.135 9.876 8.234 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.079 7.448 9.799 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.781 9.064 9.925 1.00 0.00 H new ATOM 366 N ASP A 26 -6.901 8.243 3.194 1.00 0.00 N ATOM 367 CA ASP A 26 -7.189 9.612 3.012 1.00 0.00 C ATOM 368 C ASP A 26 -8.137 10.101 4.093 1.00 0.00 C ATOM 369 O ASP A 26 -8.518 9.365 5.013 1.00 0.00 O ATOM 370 CB ASP A 26 -7.759 9.874 1.581 1.00 0.00 C ATOM 371 CG ASP A 26 -9.285 9.870 1.490 1.00 0.00 C ATOM 372 OD1 ASP A 26 -9.907 8.822 1.504 1.00 0.00 O ATOM 373 OD2 ASP A 26 -9.876 10.958 1.442 1.00 0.00 O ATOM 0 H ASP A 26 -7.557 7.610 2.735 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.263 10.179 3.101 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -7.390 10.837 1.229 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -7.366 9.115 0.904 1.00 0.00 H new ATOM 378 N LEU A 27 -8.507 11.309 3.943 1.00 0.00 N ATOM 379 CA LEU A 27 -9.353 12.048 4.831 1.00 0.00 C ATOM 380 C LEU A 27 -10.729 11.435 4.994 1.00 0.00 C ATOM 381 O LEU A 27 -11.257 11.366 6.093 1.00 0.00 O ATOM 382 CB LEU A 27 -9.486 13.513 4.406 1.00 0.00 C ATOM 383 CG LEU A 27 -9.629 13.815 2.899 1.00 0.00 C ATOM 384 CD1 LEU A 27 -10.424 15.093 2.700 1.00 0.00 C ATOM 385 CD2 LEU A 27 -8.253 13.998 2.249 1.00 0.00 C ATOM 0 H LEU A 27 -8.212 11.863 3.139 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.857 12.004 5.801 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.354 13.932 4.915 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.611 14.049 4.773 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.143 12.973 2.436 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.520 15.299 1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.415 14.977 3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.908 15.922 3.185 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.378 14.210 1.187 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.733 14.828 2.726 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.669 13.086 2.371 1.00 0.00 H new ATOM 397 N SER A 28 -11.272 10.971 3.909 1.00 0.00 N ATOM 398 CA SER A 28 -12.570 10.387 3.881 1.00 0.00 C ATOM 399 C SER A 28 -12.482 8.912 4.249 1.00 0.00 C ATOM 400 O SER A 28 -13.471 8.191 4.266 1.00 0.00 O ATOM 401 CB SER A 28 -13.161 10.582 2.504 1.00 0.00 C ATOM 402 OG SER A 28 -13.179 11.963 2.169 1.00 0.00 O ATOM 0 H SER A 28 -10.810 10.991 3.000 1.00 0.00 H new ATOM 0 HA SER A 28 -13.220 10.869 4.611 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.577 10.029 1.768 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.174 10.180 2.475 1.00 0.00 H new ATOM 0 HG SER A 28 -13.562 12.078 1.274 1.00 0.00 H new ATOM 408 N GLY A 29 -11.270 8.491 4.522 1.00 0.00 N ATOM 409 CA GLY A 29 -11.003 7.186 4.973 1.00 0.00 C ATOM 410 C GLY A 29 -10.995 6.132 3.893 1.00 0.00 C ATOM 411 O GLY A 29 -11.251 4.965 4.158 1.00 0.00 O ATOM 0 H GLY A 29 -10.438 9.074 4.428 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.035 7.181 5.473 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -11.749 6.915 5.720 1.00 0.00 H new ATOM 415 N ARG A 30 -10.692 6.527 2.692 1.00 0.00 N ATOM 416 CA ARG A 30 -10.633 5.612 1.594 1.00 0.00 C ATOM 417 C ARG A 30 -9.193 5.218 1.352 1.00 0.00 C ATOM 418 O ARG A 30 -8.259 5.879 1.846 1.00 0.00 O ATOM 419 CB ARG A 30 -11.173 6.300 0.361 1.00 0.00 C ATOM 420 CG ARG A 30 -12.578 6.822 0.531 1.00 0.00 C ATOM 421 CD ARG A 30 -12.879 7.879 -0.495 1.00 0.00 C ATOM 422 NE ARG A 30 -12.038 9.077 -0.313 1.00 0.00 N ATOM 423 CZ ARG A 30 -12.212 10.249 -0.943 1.00 0.00 C ATOM 424 NH1 ARG A 30 -13.127 10.366 -1.909 1.00 0.00 N ATOM 425 NH2 ARG A 30 -11.473 11.295 -0.603 1.00 0.00 N ATOM 0 H ARG A 30 -10.479 7.494 2.447 1.00 0.00 H new ATOM 0 HA ARG A 30 -11.223 4.723 1.816 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.515 7.129 0.099 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -11.152 5.600 -0.475 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -13.290 6.002 0.436 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -12.699 7.235 1.532 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -12.720 7.472 -1.493 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -13.930 8.160 -0.429 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.261 9.009 0.345 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.698 9.562 -2.171 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -13.255 11.259 -2.385 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.775 11.208 0.135 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.602 12.187 -1.080 1.00 0.00 H new ATOM 439 N CYS A 31 -9.013 4.159 0.617 1.00 0.00 N ATOM 440 CA CYS A 31 -7.707 3.712 0.244 1.00 0.00 C ATOM 441 C CYS A 31 -7.303 4.250 -1.086 1.00 0.00 C ATOM 442 O CYS A 31 -7.929 3.968 -2.109 1.00 0.00 O ATOM 443 CB CYS A 31 -7.583 2.199 0.283 1.00 0.00 C ATOM 444 SG CYS A 31 -7.237 1.573 1.938 1.00 0.00 S ATOM 0 H CYS A 31 -9.773 3.580 0.259 1.00 0.00 H new ATOM 0 HA CYS A 31 -7.017 4.109 0.989 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -8.507 1.753 -0.084 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -6.788 1.886 -0.393 1.00 0.00 H new ATOM 449 N VAL A 32 -6.281 5.033 -1.057 1.00 0.00 N ATOM 450 CA VAL A 32 -5.726 5.616 -2.192 1.00 0.00 C ATOM 451 C VAL A 32 -4.277 5.135 -2.341 1.00 0.00 C ATOM 452 O VAL A 32 -3.487 5.309 -1.434 1.00 0.00 O ATOM 453 CB VAL A 32 -5.846 7.182 -2.172 1.00 0.00 C ATOM 454 CG1 VAL A 32 -5.363 7.786 -0.842 1.00 0.00 C ATOM 455 CG2 VAL A 32 -5.104 7.803 -3.353 1.00 0.00 C ATOM 0 H VAL A 32 -5.800 5.285 -0.194 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.289 5.299 -3.070 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.905 7.421 -2.267 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.465 8.871 -0.876 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.964 7.391 -0.023 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.317 7.525 -0.683 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.203 8.888 -3.315 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.049 7.533 -3.303 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.529 7.432 -4.286 1.00 0.00 H new ATOM 465 N PRO A 33 -3.949 4.445 -3.451 1.00 0.00 N ATOM 466 CA PRO A 33 -2.587 3.930 -3.709 1.00 0.00 C ATOM 467 C PRO A 33 -1.527 5.029 -3.607 1.00 0.00 C ATOM 468 O PRO A 33 -1.685 6.101 -4.197 1.00 0.00 O ATOM 469 CB PRO A 33 -2.671 3.419 -5.152 1.00 0.00 C ATOM 470 CG PRO A 33 -4.108 3.100 -5.355 1.00 0.00 C ATOM 471 CD PRO A 33 -4.875 4.107 -4.546 1.00 0.00 C ATOM 0 HA PRO A 33 -2.294 3.171 -2.984 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.329 4.174 -5.860 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.045 2.538 -5.298 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.376 3.162 -6.410 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.332 2.085 -5.028 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.134 4.985 -5.138 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -5.809 3.691 -4.168 1.00 0.00 H new ATOM 479 N TYR A 34 -0.477 4.768 -2.840 1.00 0.00 N ATOM 480 CA TYR A 34 0.593 5.714 -2.644 1.00 0.00 C ATOM 481 C TYR A 34 1.341 6.073 -3.888 1.00 0.00 C ATOM 482 O TYR A 34 1.756 5.227 -4.669 1.00 0.00 O ATOM 483 CB TYR A 34 1.545 5.242 -1.532 1.00 0.00 C ATOM 484 CG TYR A 34 3.020 5.667 -1.620 1.00 0.00 C ATOM 485 CD1 TYR A 34 3.412 7.010 -1.673 1.00 0.00 C ATOM 486 CD2 TYR A 34 4.045 4.707 -1.612 1.00 0.00 C ATOM 487 CE1 TYR A 34 4.704 7.347 -1.722 1.00 0.00 C ATOM 488 CE2 TYR A 34 5.355 5.092 -1.660 1.00 0.00 C ATOM 489 CZ TYR A 34 5.680 6.396 -1.712 1.00 0.00 C ATOM 490 OH TYR A 34 7.005 6.755 -1.755 1.00 0.00 O ATOM 0 H TYR A 34 -0.351 3.889 -2.338 1.00 0.00 H new ATOM 0 HA TYR A 34 0.110 6.640 -2.330 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.150 5.598 -0.580 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.512 4.153 -1.503 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.659 7.785 -1.674 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.796 3.657 -1.568 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.979 8.390 -1.770 1.00 0.00 H new ATOM 0 HE2 TYR A 34 6.134 4.344 -1.656 1.00 0.00 H new ATOM 0 HH TYR A 34 7.142 7.565 -1.220 1.00 0.00 H new ATOM 500 N VAL A 35 1.446 7.336 -4.068 1.00 0.00 N ATOM 501 CA VAL A 35 2.283 7.935 -4.988 1.00 0.00 C ATOM 502 C VAL A 35 2.588 9.195 -4.328 1.00 0.00 C ATOM 503 O VAL A 35 1.688 9.818 -3.749 1.00 0.00 O ATOM 504 CB VAL A 35 1.641 8.329 -6.308 1.00 0.00 C ATOM 505 CG1 VAL A 35 2.556 8.027 -7.451 1.00 0.00 C ATOM 506 CG2 VAL A 35 0.238 7.790 -6.495 1.00 0.00 C ATOM 0 H VAL A 35 0.903 8.010 -3.529 1.00 0.00 H new ATOM 0 HA VAL A 35 3.094 7.250 -5.237 1.00 0.00 H new ATOM 0 HB VAL A 35 1.498 9.409 -6.282 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.077 8.317 -8.387 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.485 8.585 -7.331 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.774 6.959 -7.470 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.151 8.115 -7.460 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.259 6.701 -6.460 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.405 8.166 -5.700 1.00 0.00 H new ATOM 516 N ASP A 36 3.779 9.557 -4.320 1.00 0.00 N ATOM 517 CA ASP A 36 4.125 10.791 -3.767 1.00 0.00 C ATOM 518 C ASP A 36 4.213 11.781 -4.771 1.00 0.00 C ATOM 519 O ASP A 36 3.782 11.597 -5.911 1.00 0.00 O ATOM 520 CB ASP A 36 5.331 10.685 -2.871 1.00 0.00 C ATOM 521 CG ASP A 36 6.517 10.017 -3.531 1.00 0.00 C ATOM 522 OD1 ASP A 36 6.509 9.827 -4.768 1.00 0.00 O ATOM 523 OD2 ASP A 36 7.461 9.688 -2.834 1.00 0.00 O ATOM 0 H ASP A 36 4.557 9.014 -4.695 1.00 0.00 H new ATOM 0 HA ASP A 36 3.326 11.120 -3.102 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.621 11.684 -2.546 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.060 10.125 -1.976 1.00 0.00 H new ATOM 528 N ALA A 37 4.699 12.852 -4.364 1.00 0.00 N ATOM 529 CA ALA A 37 4.742 13.965 -5.153 1.00 0.00 C ATOM 530 C ALA A 37 5.845 13.817 -6.199 1.00 0.00 C ATOM 531 O ALA A 37 5.943 14.569 -7.156 1.00 0.00 O ATOM 532 CB ALA A 37 4.927 15.101 -4.256 1.00 0.00 C ATOM 0 H ALA A 37 5.094 12.980 -3.432 1.00 0.00 H new ATOM 0 HA ALA A 37 3.825 14.115 -5.723 1.00 0.00 H new ATOM 0 HB1 ALA A 37 4.968 16.021 -4.838 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.093 15.152 -3.556 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.858 14.980 -3.703 1.00 0.00 H new ATOM 538 N GLU A 38 6.660 12.825 -5.942 1.00 0.00 N ATOM 539 CA GLU A 38 7.684 12.365 -6.749 1.00 0.00 C ATOM 540 C GLU A 38 7.119 11.316 -7.748 1.00 0.00 C ATOM 541 O GLU A 38 7.859 10.812 -8.596 1.00 0.00 O ATOM 542 CB GLU A 38 8.710 11.720 -5.836 1.00 0.00 C ATOM 543 CG GLU A 38 9.368 12.676 -4.833 1.00 0.00 C ATOM 544 CD GLU A 38 10.091 11.939 -3.718 1.00 0.00 C ATOM 545 OE1 GLU A 38 10.972 11.104 -4.006 1.00 0.00 O ATOM 546 OE2 GLU A 38 9.727 12.120 -2.534 1.00 0.00 O ATOM 0 H GLU A 38 6.589 12.292 -5.075 1.00 0.00 H new ATOM 0 HA GLU A 38 8.136 13.175 -7.322 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.229 10.912 -5.285 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.489 11.267 -6.450 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.075 13.319 -5.358 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.607 13.326 -4.401 1.00 0.00 H new ATOM 553 N GLN A 39 5.784 10.968 -7.598 1.00 0.00 N ATOM 554 CA GLN A 39 5.077 10.071 -8.427 1.00 0.00 C ATOM 555 C GLN A 39 5.630 8.668 -8.333 1.00 0.00 C ATOM 556 O GLN A 39 5.558 7.884 -9.285 1.00 0.00 O ATOM 557 CB GLN A 39 5.052 10.610 -9.810 1.00 0.00 C ATOM 558 CG GLN A 39 4.183 11.841 -9.946 1.00 0.00 C ATOM 559 CD GLN A 39 4.161 12.393 -11.354 1.00 0.00 C ATOM 560 OE1 GLN A 39 4.963 13.230 -11.725 1.00 0.00 O ATOM 561 NE2 GLN A 39 3.237 11.920 -12.154 1.00 0.00 N ATOM 0 H GLN A 39 5.205 11.352 -6.851 1.00 0.00 H new ATOM 0 HA GLN A 39 4.046 9.986 -8.085 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.069 10.853 -10.118 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.689 9.838 -10.489 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.165 11.597 -9.641 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.544 12.611 -9.265 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.579 11.219 -11.814 1.00 0.00 H new ATOM 0 HE22 GLN A 39 3.176 12.253 -13.116 1.00 0.00 H new ATOM 570 N LYS A 40 6.095 8.318 -7.150 1.00 0.00 N ATOM 571 CA LYS A 40 6.612 7.013 -6.946 1.00 0.00 C ATOM 572 C LYS A 40 5.653 6.148 -6.193 1.00 0.00 C ATOM 573 O LYS A 40 4.842 6.624 -5.413 1.00 0.00 O ATOM 574 CB LYS A 40 7.942 7.056 -6.244 1.00 0.00 C ATOM 575 CG LYS A 40 7.957 6.731 -4.743 1.00 0.00 C ATOM 576 CD LYS A 40 9.385 6.530 -4.228 1.00 0.00 C ATOM 577 CE LYS A 40 10.231 7.792 -4.334 1.00 0.00 C ATOM 578 NZ LYS A 40 9.795 8.835 -3.402 1.00 0.00 N ATOM 0 H LYS A 40 6.118 8.926 -6.331 1.00 0.00 H new ATOM 0 HA LYS A 40 6.758 6.572 -7.932 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.612 6.358 -6.747 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.362 8.053 -6.377 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.480 7.540 -4.190 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.372 5.830 -4.559 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.350 6.208 -3.187 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.862 5.729 -4.794 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.274 7.545 -4.137 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.181 8.175 -5.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.441 9.647 -3.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.832 9.140 -3.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.802 8.459 -2.432 1.00 0.00 H new ATOM 592 N ASN A 41 5.771 4.892 -6.424 1.00 0.00 N ATOM 593 CA ASN A 41 4.989 3.907 -5.777 1.00 0.00 C ATOM 594 C ASN A 41 5.950 2.795 -5.423 1.00 0.00 C ATOM 595 O ASN A 41 7.107 2.815 -5.875 1.00 0.00 O ATOM 596 CB ASN A 41 3.976 3.383 -6.763 1.00 0.00 C ATOM 597 CG ASN A 41 2.970 2.340 -6.231 1.00 0.00 C ATOM 598 OD1 ASN A 41 3.191 1.139 -6.326 1.00 0.00 O ATOM 599 ND2 ASN A 41 1.898 2.787 -5.652 1.00 0.00 N ATOM 0 H ASN A 41 6.439 4.509 -7.093 1.00 0.00 H new ATOM 0 HA ASN A 41 4.472 4.294 -4.899 1.00 0.00 H new ATOM 0 HB2 ASN A 41 3.413 4.230 -7.156 1.00 0.00 H new ATOM 0 HB3 ASN A 41 4.514 2.941 -7.602 1.00 0.00 H new ATOM 0 HD21 ASN A 41 1.218 2.134 -5.264 1.00 0.00 H new ATOM 0 HD22 ASN A 41 1.736 3.792 -5.585 1.00 0.00 H new ATOM 606 N LEU A 42 5.471 1.842 -4.684 1.00 0.00 N ATOM 607 CA LEU A 42 6.193 0.728 -4.214 1.00 0.00 C ATOM 608 C LEU A 42 5.304 -0.344 -3.562 1.00 0.00 C ATOM 609 O LEU A 42 4.090 -0.149 -3.354 1.00 0.00 O ATOM 610 CB LEU A 42 7.337 1.187 -3.357 1.00 0.00 C ATOM 611 CG LEU A 42 7.077 2.204 -2.230 1.00 0.00 C ATOM 612 CD1 LEU A 42 6.188 1.686 -1.128 1.00 0.00 C ATOM 613 CD2 LEU A 42 8.377 2.763 -1.680 1.00 0.00 C ATOM 0 H LEU A 42 4.498 1.833 -4.380 1.00 0.00 H new ATOM 0 HA LEU A 42 6.620 0.209 -5.072 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.781 0.301 -2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.089 1.617 -4.018 1.00 0.00 H new ATOM 0 HG LEU A 42 6.519 3.018 -2.693 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.054 2.461 -0.374 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.218 1.411 -1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.649 0.811 -0.670 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.159 3.478 -0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.982 1.950 -1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.925 3.264 -2.479 1.00 0.00 H new ATOM 625 N PHE A 43 5.929 -1.448 -3.258 1.00 0.00 N ATOM 626 CA PHE A 43 5.331 -2.629 -2.758 1.00 0.00 C ATOM 627 C PHE A 43 5.459 -2.741 -1.224 1.00 0.00 C ATOM 628 O PHE A 43 6.439 -2.273 -0.642 1.00 0.00 O ATOM 629 CB PHE A 43 5.992 -3.817 -3.518 1.00 0.00 C ATOM 630 CG PHE A 43 5.843 -5.202 -2.942 1.00 0.00 C ATOM 631 CD1 PHE A 43 4.602 -5.779 -2.751 1.00 0.00 C ATOM 632 CD2 PHE A 43 6.976 -5.930 -2.592 1.00 0.00 C ATOM 633 CE1 PHE A 43 4.493 -7.048 -2.220 1.00 0.00 C ATOM 634 CE2 PHE A 43 6.869 -7.199 -2.064 1.00 0.00 C ATOM 635 CZ PHE A 43 5.627 -7.758 -1.878 1.00 0.00 C ATOM 0 H PHE A 43 6.939 -1.540 -3.365 1.00 0.00 H new ATOM 0 HA PHE A 43 4.255 -2.628 -2.935 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.587 -3.832 -4.530 1.00 0.00 H new ATOM 0 HB3 PHE A 43 7.058 -3.605 -3.605 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.710 -5.232 -3.019 1.00 0.00 H new ATOM 0 HD2 PHE A 43 7.954 -5.494 -2.736 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.518 -7.487 -2.071 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.758 -7.752 -1.797 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.538 -8.752 -1.465 1.00 0.00 H new ATOM 645 N LEU A 44 4.409 -3.280 -0.590 1.00 0.00 N ATOM 646 CA LEU A 44 4.382 -3.602 0.802 1.00 0.00 C ATOM 647 C LEU A 44 5.317 -4.776 1.127 1.00 0.00 C ATOM 648 O LEU A 44 6.053 -5.247 0.287 1.00 0.00 O ATOM 649 CB LEU A 44 2.949 -3.933 1.266 1.00 0.00 C ATOM 650 CG LEU A 44 2.006 -2.743 1.483 1.00 0.00 C ATOM 651 CD1 LEU A 44 0.604 -3.233 1.771 1.00 0.00 C ATOM 652 CD2 LEU A 44 2.492 -1.892 2.651 1.00 0.00 C ATOM 0 H LEU A 44 3.536 -3.503 -1.068 1.00 0.00 H new ATOM 0 HA LEU A 44 4.734 -2.722 1.341 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.497 -4.596 0.529 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.014 -4.491 2.200 1.00 0.00 H new ATOM 0 HG LEU A 44 1.998 -2.140 0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.056 -2.379 1.923 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.245 -3.824 0.928 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.612 -3.850 2.669 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.814 -1.051 2.795 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.516 -2.497 3.557 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.494 -1.519 2.437 1.00 0.00 H new ATOM 664 N ARG A 45 5.299 -5.219 2.359 1.00 0.00 N ATOM 665 CA ARG A 45 6.095 -6.356 2.763 1.00 0.00 C ATOM 666 C ARG A 45 5.550 -7.665 2.143 1.00 0.00 C ATOM 667 O ARG A 45 4.444 -7.716 1.598 1.00 0.00 O ATOM 668 CB ARG A 45 6.030 -6.534 4.250 1.00 0.00 C ATOM 669 CG ARG A 45 7.343 -6.968 4.907 1.00 0.00 C ATOM 670 CD ARG A 45 7.107 -7.502 6.318 1.00 0.00 C ATOM 671 NE ARG A 45 6.300 -8.752 6.309 1.00 0.00 N ATOM 672 CZ ARG A 45 5.778 -9.362 7.389 1.00 0.00 C ATOM 673 NH1 ARG A 45 5.954 -8.843 8.612 1.00 0.00 N ATOM 674 NH2 ARG A 45 5.085 -10.492 7.235 1.00 0.00 N ATOM 0 H ARG A 45 4.739 -4.808 3.106 1.00 0.00 H new ATOM 0 HA ARG A 45 7.114 -6.164 2.427 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.709 -5.594 4.700 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.264 -7.275 4.479 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.819 -7.738 4.299 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.030 -6.122 4.946 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.066 -7.692 6.800 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.597 -6.744 6.913 1.00 0.00 H new ATOM 0 HE ARG A 45 6.127 -9.186 5.402 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.486 -7.981 8.728 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.556 -9.310 9.426 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.954 -10.887 6.304 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.686 -10.961 8.048 1.00 0.00 H new ATOM 688 N LYS A 46 6.288 -8.719 2.368 1.00 0.00 N ATOM 689 CA LYS A 46 5.968 -10.048 1.879 1.00 0.00 C ATOM 690 C LYS A 46 5.394 -10.857 3.042 1.00 0.00 C ATOM 691 O LYS A 46 5.731 -10.585 4.219 1.00 0.00 O ATOM 692 CB LYS A 46 7.241 -10.730 1.306 1.00 0.00 C ATOM 693 CG LYS A 46 8.363 -10.930 2.336 1.00 0.00 C ATOM 694 CD LYS A 46 9.699 -11.444 1.746 1.00 0.00 C ATOM 695 CE LYS A 46 9.664 -12.885 1.184 1.00 0.00 C ATOM 696 NZ LYS A 46 8.934 -13.008 -0.090 1.00 0.00 N ATOM 0 H LYS A 46 7.152 -8.684 2.909 1.00 0.00 H new ATOM 0 HA LYS A 46 5.235 -9.990 1.075 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.965 -11.700 0.892 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.623 -10.128 0.481 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.546 -9.982 2.842 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.021 -11.635 3.093 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.009 -10.768 0.949 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.463 -11.393 2.522 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.687 -13.235 1.041 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.203 -13.542 1.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.330 -13.795 -0.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.929 -13.192 0.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.027 -12.124 -0.630 1.00 0.00 H new ATOM 710 N GLY A 47 4.505 -11.785 2.731 1.00 0.00 N ATOM 711 CA GLY A 47 3.866 -12.632 3.727 1.00 0.00 C ATOM 712 C GLY A 47 3.008 -11.814 4.641 1.00 0.00 C ATOM 713 O GLY A 47 2.954 -12.042 5.846 1.00 0.00 O ATOM 0 H GLY A 47 4.204 -11.974 1.775 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.260 -13.391 3.232 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.625 -13.158 4.306 1.00 0.00 H new ATOM 717 N LYS A 48 2.423 -10.803 4.074 1.00 0.00 N ATOM 718 CA LYS A 48 1.522 -9.959 4.771 1.00 0.00 C ATOM 719 C LYS A 48 0.090 -10.381 4.417 1.00 0.00 C ATOM 720 O LYS A 48 -0.151 -10.801 3.274 1.00 0.00 O ATOM 721 CB LYS A 48 1.865 -8.470 4.430 1.00 0.00 C ATOM 722 CG LYS A 48 0.738 -7.580 3.879 1.00 0.00 C ATOM 723 CD LYS A 48 0.432 -7.900 2.425 1.00 0.00 C ATOM 724 CE LYS A 48 -0.773 -7.149 1.924 1.00 0.00 C ATOM 725 NZ LYS A 48 -1.112 -7.545 0.540 1.00 0.00 N ATOM 0 H LYS A 48 2.566 -10.543 3.098 1.00 0.00 H new ATOM 0 HA LYS A 48 1.613 -10.052 5.853 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.250 -8.000 5.335 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.676 -8.472 3.702 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.161 -7.717 4.479 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.024 -6.532 3.969 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.296 -7.651 1.809 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.262 -8.971 2.317 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.623 -7.341 2.579 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.578 -6.077 1.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.936 -7.000 0.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.302 -7.354 -0.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.337 -8.560 0.515 1.00 0.00 H new ATOM 739 N PRO A 49 -0.847 -10.346 5.378 1.00 0.00 N ATOM 740 CA PRO A 49 -2.246 -10.709 5.129 1.00 0.00 C ATOM 741 C PRO A 49 -2.913 -9.771 4.120 1.00 0.00 C ATOM 742 O PRO A 49 -2.764 -8.544 4.184 1.00 0.00 O ATOM 743 CB PRO A 49 -2.918 -10.569 6.503 1.00 0.00 C ATOM 744 CG PRO A 49 -1.802 -10.593 7.484 1.00 0.00 C ATOM 745 CD PRO A 49 -0.629 -9.974 6.789 1.00 0.00 C ATOM 0 HA PRO A 49 -2.331 -11.709 4.703 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.484 -9.640 6.572 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.619 -11.384 6.684 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.061 -10.035 8.384 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.578 -11.613 7.795 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.605 -8.892 6.922 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.316 -10.363 7.168 1.00 0.00 H new ATOM 753 N CYS A 50 -3.574 -10.349 3.170 1.00 0.00 N ATOM 754 CA CYS A 50 -4.293 -9.628 2.187 1.00 0.00 C ATOM 755 C CYS A 50 -5.773 -9.910 2.319 1.00 0.00 C ATOM 756 O CYS A 50 -6.259 -10.316 3.363 1.00 0.00 O ATOM 757 CB CYS A 50 -3.905 -10.092 0.806 1.00 0.00 C ATOM 758 SG CYS A 50 -2.173 -10.343 0.519 1.00 0.00 S ATOM 0 H CYS A 50 -3.626 -11.362 3.059 1.00 0.00 H new ATOM 0 HA CYS A 50 -4.068 -8.571 2.328 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -4.425 -11.028 0.601 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -4.269 -9.360 0.084 1.00 0.00 H new ATOM 763 N THR A 51 -6.446 -9.697 1.219 1.00 0.00 N ATOM 764 CA THR A 51 -7.818 -9.954 1.019 1.00 0.00 C ATOM 765 C THR A 51 -8.082 -11.468 1.035 1.00 0.00 C ATOM 766 O THR A 51 -8.929 -11.975 1.752 1.00 0.00 O ATOM 767 CB THR A 51 -8.125 -9.411 -0.403 1.00 0.00 C ATOM 768 OG1 THR A 51 -7.136 -9.954 -1.319 1.00 0.00 O ATOM 769 CG2 THR A 51 -7.976 -7.913 -0.443 1.00 0.00 C ATOM 0 H THR A 51 -6.001 -9.310 0.387 1.00 0.00 H new ATOM 0 HA THR A 51 -8.431 -9.494 1.794 1.00 0.00 H new ATOM 0 HB THR A 51 -9.143 -9.694 -0.673 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.543 -10.083 -2.201 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.195 -7.552 -1.448 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.670 -7.459 0.265 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.955 -7.642 -0.175 1.00 0.00 H new ATOM 777 N VAL A 52 -7.317 -12.147 0.218 1.00 0.00 N ATOM 778 CA VAL A 52 -7.489 -13.559 -0.058 1.00 0.00 C ATOM 779 C VAL A 52 -6.471 -14.480 0.629 1.00 0.00 C ATOM 780 O VAL A 52 -6.694 -15.679 0.715 1.00 0.00 O ATOM 781 CB VAL A 52 -7.452 -13.784 -1.590 1.00 0.00 C ATOM 782 CG1 VAL A 52 -8.575 -12.984 -2.254 1.00 0.00 C ATOM 783 CG2 VAL A 52 -6.082 -13.388 -2.184 1.00 0.00 C ATOM 0 H VAL A 52 -6.537 -11.727 -0.288 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.456 -13.834 0.363 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.600 -14.846 -1.786 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.547 -13.144 -3.332 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.537 -13.314 -1.863 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.441 -11.923 -2.041 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.089 -13.558 -3.261 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.890 -12.334 -1.984 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.299 -13.992 -1.727 1.00 0.00 H new ATOM 793 N GLY A 53 -5.398 -13.926 1.132 1.00 0.00 N ATOM 794 CA GLY A 53 -4.366 -14.739 1.704 1.00 0.00 C ATOM 795 C GLY A 53 -3.152 -13.932 2.073 1.00 0.00 C ATOM 796 O GLY A 53 -3.267 -12.951 2.807 1.00 0.00 O ATOM 0 H GLY A 53 -5.220 -12.922 1.156 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.751 -15.242 2.591 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.082 -15.517 0.995 1.00 0.00 H new ATOM 800 N PHE A 54 -2.012 -14.305 1.555 1.00 0.00 N ATOM 801 CA PHE A 54 -0.770 -13.609 1.817 1.00 0.00 C ATOM 802 C PHE A 54 -0.230 -13.046 0.537 1.00 0.00 C ATOM 803 O PHE A 54 -0.634 -13.423 -0.526 1.00 0.00 O ATOM 804 CB PHE A 54 0.284 -14.506 2.504 1.00 0.00 C ATOM 805 CG PHE A 54 -0.123 -14.962 3.876 1.00 0.00 C ATOM 806 CD1 PHE A 54 0.029 -14.122 4.968 1.00 0.00 C ATOM 807 CD2 PHE A 54 -0.656 -16.225 4.076 1.00 0.00 C ATOM 808 CE1 PHE A 54 -0.342 -14.532 6.232 1.00 0.00 C ATOM 809 CE2 PHE A 54 -1.029 -16.641 5.340 1.00 0.00 C ATOM 810 CZ PHE A 54 -0.873 -15.793 6.420 1.00 0.00 C ATOM 0 H PHE A 54 -1.913 -15.107 0.933 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.988 -12.800 2.514 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.469 -15.380 1.879 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.224 -13.960 2.575 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.443 -13.134 4.828 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.781 -16.891 3.235 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.217 -13.867 7.074 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.442 -17.628 5.484 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.166 -16.116 7.408 1.00 0.00 H new ATOM 820 N CYS A 55 0.623 -12.100 0.652 1.00 0.00 N ATOM 821 CA CYS A 55 1.200 -11.453 -0.507 1.00 0.00 C ATOM 822 C CYS A 55 2.639 -11.773 -0.601 1.00 0.00 C ATOM 823 O CYS A 55 3.303 -11.839 0.422 1.00 0.00 O ATOM 824 CB CYS A 55 1.091 -9.972 -0.316 1.00 0.00 C ATOM 825 SG CYS A 55 1.746 -8.951 -1.660 1.00 0.00 S ATOM 0 H CYS A 55 0.954 -11.737 1.546 1.00 0.00 H new ATOM 0 HA CYS A 55 0.679 -11.790 -1.403 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.040 -9.720 -0.173 1.00 0.00 H new ATOM 0 HB3 CYS A 55 1.611 -9.705 0.604 1.00 0.00 H new ATOM 830 N ASP A 56 3.161 -11.950 -1.786 1.00 0.00 N ATOM 831 CA ASP A 56 4.581 -12.132 -1.857 1.00 0.00 C ATOM 832 C ASP A 56 5.203 -11.188 -2.899 1.00 0.00 C ATOM 833 O ASP A 56 4.514 -10.298 -3.392 1.00 0.00 O ATOM 834 CB ASP A 56 4.962 -13.583 -2.063 1.00 0.00 C ATOM 835 CG ASP A 56 6.359 -13.825 -1.530 1.00 0.00 C ATOM 836 OD1 ASP A 56 6.536 -13.892 -0.295 1.00 0.00 O ATOM 837 OD2 ASP A 56 7.325 -13.809 -2.320 1.00 0.00 O ATOM 0 H ASP A 56 2.654 -11.972 -2.671 1.00 0.00 H new ATOM 0 HA ASP A 56 5.004 -11.857 -0.891 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.250 -14.232 -1.553 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.918 -13.833 -3.123 1.00 0.00 H new ATOM 842 N MET A 57 6.475 -11.435 -3.273 1.00 0.00 N ATOM 843 CA MET A 57 7.340 -10.528 -4.080 1.00 0.00 C ATOM 844 C MET A 57 6.720 -10.045 -5.389 1.00 0.00 C ATOM 845 O MET A 57 7.150 -9.045 -5.939 1.00 0.00 O ATOM 846 CB MET A 57 8.682 -11.201 -4.409 1.00 0.00 C ATOM 847 CG MET A 57 9.480 -11.716 -3.218 1.00 0.00 C ATOM 848 SD MET A 57 9.766 -10.490 -1.916 1.00 0.00 S ATOM 849 CE MET A 57 10.660 -9.213 -2.816 1.00 0.00 C ATOM 0 H MET A 57 6.952 -12.299 -3.016 1.00 0.00 H new ATOM 0 HA MET A 57 7.476 -9.653 -3.445 1.00 0.00 H new ATOM 0 HB2 MET A 57 8.491 -12.037 -5.082 1.00 0.00 H new ATOM 0 HB3 MET A 57 9.300 -10.487 -4.954 1.00 0.00 H new ATOM 0 HG2 MET A 57 8.955 -12.569 -2.787 1.00 0.00 H new ATOM 0 HG3 MET A 57 10.444 -12.081 -3.573 1.00 0.00 H new ATOM 0 HE1 MET A 57 11.011 -8.453 -2.117 1.00 0.00 H new ATOM 0 HE2 MET A 57 11.514 -9.658 -3.327 1.00 0.00 H new ATOM 0 HE3 MET A 57 9.998 -8.753 -3.550 1.00 0.00 H new ATOM 859 N ASN A 58 5.729 -10.757 -5.882 1.00 0.00 N ATOM 860 CA ASN A 58 5.077 -10.400 -7.147 1.00 0.00 C ATOM 861 C ASN A 58 4.188 -9.165 -6.944 1.00 0.00 C ATOM 862 O ASN A 58 3.799 -8.495 -7.892 1.00 0.00 O ATOM 863 CB ASN A 58 4.217 -11.582 -7.646 1.00 0.00 C ATOM 864 CG ASN A 58 3.711 -11.420 -9.086 1.00 0.00 C ATOM 865 OD1 ASN A 58 4.362 -11.850 -10.023 1.00 0.00 O ATOM 866 ND2 ASN A 58 2.559 -10.814 -9.267 1.00 0.00 N ATOM 0 H ASN A 58 5.349 -11.590 -5.433 1.00 0.00 H new ATOM 0 HA ASN A 58 5.842 -10.174 -7.890 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.803 -12.499 -7.578 1.00 0.00 H new ATOM 0 HB3 ASN A 58 3.361 -11.701 -6.982 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.189 -10.694 -10.210 1.00 0.00 H new ATOM 0 HD22 ASN A 58 2.035 -10.464 -8.465 1.00 0.00 H new ATOM 873 N GLY A 59 3.884 -8.867 -5.690 1.00 0.00 N ATOM 874 CA GLY A 59 2.994 -7.783 -5.394 1.00 0.00 C ATOM 875 C GLY A 59 1.584 -8.236 -5.542 1.00 0.00 C ATOM 876 O GLY A 59 0.708 -7.458 -5.907 1.00 0.00 O ATOM 0 H GLY A 59 4.243 -9.363 -4.875 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.166 -7.425 -4.379 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.189 -6.946 -6.064 1.00 0.00 H new ATOM 880 N LYS A 60 1.368 -9.480 -5.197 1.00 0.00 N ATOM 881 CA LYS A 60 0.097 -10.136 -5.325 1.00 0.00 C ATOM 882 C LYS A 60 -0.009 -11.111 -4.226 1.00 0.00 C ATOM 883 O LYS A 60 0.992 -11.524 -3.633 1.00 0.00 O ATOM 884 CB LYS A 60 0.033 -10.897 -6.635 1.00 0.00 C ATOM 885 CG LYS A 60 -1.360 -11.399 -7.020 1.00 0.00 C ATOM 886 CD LYS A 60 -1.338 -12.247 -8.276 1.00 0.00 C ATOM 887 CE LYS A 60 -2.716 -12.838 -8.554 1.00 0.00 C ATOM 888 NZ LYS A 60 -3.179 -13.698 -7.442 1.00 0.00 N ATOM 0 H LYS A 60 2.095 -10.080 -4.808 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.706 -9.400 -5.295 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.404 -10.252 -7.432 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.708 -11.751 -6.576 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.774 -11.982 -6.197 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.022 -10.547 -7.171 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.019 -11.641 -9.124 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.609 -13.049 -8.166 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -3.432 -12.032 -8.713 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.683 -13.421 -9.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.043 -14.201 -7.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.439 -14.389 -7.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.381 -13.109 -6.609 1.00 0.00 H new ATOM 902 N CYS A 61 -1.190 -11.469 -4.004 1.00 0.00 N ATOM 903 CA CYS A 61 -1.602 -12.354 -3.020 1.00 0.00 C ATOM 904 C CYS A 61 -2.198 -13.517 -3.756 1.00 0.00 C ATOM 905 O CYS A 61 -3.076 -13.270 -4.633 1.00 0.00 O ATOM 906 CB CYS A 61 -2.650 -11.615 -2.246 1.00 0.00 C ATOM 907 SG CYS A 61 -2.058 -10.075 -1.473 1.00 0.00 S ATOM 0 H CYS A 61 -1.970 -11.117 -4.559 1.00 0.00 H new ATOM 0 HA CYS A 61 -0.817 -12.704 -2.349 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -3.479 -11.379 -2.913 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -3.043 -12.271 -1.469 1.00 0.00 H new ATOM 912 N GLU A 62 -1.718 -14.732 -3.438 1.00 0.00 N ATOM 913 CA GLU A 62 -2.056 -15.990 -4.116 1.00 0.00 C ATOM 914 C GLU A 62 -2.473 -15.825 -5.584 1.00 0.00 C ATOM 915 O GLU A 62 -3.683 -15.851 -5.904 1.00 0.00 O ATOM 916 CB GLU A 62 -3.046 -16.802 -3.289 1.00 0.00 C ATOM 917 CG GLU A 62 -2.410 -17.547 -2.104 1.00 0.00 C ATOM 918 CD GLU A 62 -1.792 -16.646 -1.049 1.00 0.00 C ATOM 919 OE1 GLU A 62 -0.641 -16.212 -1.231 1.00 0.00 O ATOM 920 OE2 GLU A 62 -2.451 -16.377 -0.030 1.00 0.00 O ATOM 921 OXT GLU A 62 -1.588 -15.514 -6.436 1.00 0.00 O ATOM 0 H GLU A 62 -1.059 -14.867 -2.672 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.133 -16.566 -4.180 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.821 -16.135 -2.911 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.538 -17.526 -3.938 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.171 -18.168 -1.632 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.641 -18.219 -2.485 1.00 0.00 H new TER 928 GLU A 62