USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 600 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 40 HIS : no HD1:sc= -4.85! C(o=-4.1!,f=-3!) USER MOD Set 1.2: A 41 THR OG1 : rot 48:sc= 0.778 USER MOD Set 2.1: A 25 ASN : amide:sc= -0.213 K(o=-0.55,f=-9.4!) USER MOD Set 2.2: A 28 LYS NZ :NH3+ 149:sc= -0.333 (180deg=-1.71!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.0281 X(o=-0.028,f=0) USER MOD Single : A 8 MET CE :methyl -117:sc= -0.108 (180deg=-2.58!) USER MOD Single : A 14 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0347) USER MOD Single : A 15 LYS NZ :NH3+ 149:sc= -0.0199 (180deg=-1.19) USER MOD Single : A 16 TYR OH : rot 30:sc= -1.4 USER MOD Single : A 19 SER OG : rot -85:sc= 0.759 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.00255 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 TYR OH : rot 25:sc= -5.88! USER MOD Single : A 54 ASN : amide:sc= -0.0189 X(o=-0.019,f=-0.047) USER MOD Single : A 55 SER OG : rot 69:sc= 0.256 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -17.5! C(o=-17!,f=-19!) USER MOD Single : A 68 THR OG1 : rot -150:sc= -0.012 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 46:sc= 1.07 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 0.209 X(o=0.21,f=0) USER MOD ----------------------------------------------------------------- ATOM 46 N LEU A 4 9.492 4.183 -4.483 1.00 0.00 N ATOM 47 CA LEU A 4 8.131 3.989 -4.954 1.00 0.00 C ATOM 48 C LEU A 4 7.288 3.382 -3.831 1.00 0.00 C ATOM 49 O LEU A 4 6.060 3.452 -3.864 1.00 0.00 O ATOM 50 CB LEU A 4 8.122 3.166 -6.243 1.00 0.00 C ATOM 51 CG LEU A 4 8.240 1.650 -6.071 1.00 0.00 C ATOM 52 CD1 LEU A 4 8.084 0.932 -7.414 1.00 0.00 C ATOM 53 CD2 LEU A 4 9.547 1.277 -5.370 1.00 0.00 C ATOM 0 HA LEU A 4 7.678 4.946 -5.211 1.00 0.00 H new ATOM 0 HB2 LEU A 4 7.198 3.380 -6.781 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.944 3.505 -6.873 1.00 0.00 H new ATOM 0 HG LEU A 4 7.425 1.315 -5.430 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.172 -0.144 -7.264 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.106 1.161 -7.837 1.00 0.00 H new ATOM 0 HD13 LEU A 4 8.863 1.268 -8.099 1.00 0.00 H new ATOM 0 HD21 LEU A 4 9.605 0.194 -5.261 1.00 0.00 H new ATOM 0 HD22 LEU A 4 10.391 1.628 -5.964 1.00 0.00 H new ATOM 0 HD23 LEU A 4 9.578 1.743 -4.385 1.00 0.00 H new ATOM 65 N SER A 5 7.981 2.801 -2.862 1.00 0.00 N ATOM 66 CA SER A 5 7.312 2.182 -1.731 1.00 0.00 C ATOM 67 C SER A 5 6.269 3.141 -1.152 1.00 0.00 C ATOM 68 O SER A 5 5.117 2.761 -0.951 1.00 0.00 O ATOM 69 CB SER A 5 8.317 1.776 -0.652 1.00 0.00 C ATOM 70 OG SER A 5 8.989 0.563 -0.977 1.00 0.00 O ATOM 0 H SER A 5 8.999 2.746 -2.837 1.00 0.00 H new ATOM 0 HA SER A 5 6.812 1.279 -2.081 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.050 2.572 -0.521 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.799 1.660 0.300 1.00 0.00 H new ATOM 0 HG SER A 5 9.623 0.339 -0.264 1.00 0.00 H new ATOM 76 N CYS A 6 6.711 4.364 -0.901 1.00 0.00 N ATOM 77 CA CYS A 6 5.830 5.379 -0.349 1.00 0.00 C ATOM 78 C CYS A 6 4.535 5.385 -1.163 1.00 0.00 C ATOM 79 O CYS A 6 3.444 5.302 -0.601 1.00 0.00 O ATOM 80 CB CYS A 6 6.497 6.756 -0.327 1.00 0.00 C ATOM 81 SG CYS A 6 5.338 8.169 -0.252 1.00 0.00 S ATOM 0 H CYS A 6 7.668 4.675 -1.070 1.00 0.00 H new ATOM 0 HA CYS A 6 5.604 5.141 0.690 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.165 6.807 0.532 1.00 0.00 H new ATOM 0 HB3 CYS A 6 7.116 6.859 -1.218 1.00 0.00 H new ATOM 0 HG CYS A 6 6.010 9.281 -0.236 1.00 0.00 H new ATOM 86 N GLN A 7 4.698 5.486 -2.475 1.00 0.00 N ATOM 87 CA GLN A 7 3.555 5.505 -3.372 1.00 0.00 C ATOM 88 C GLN A 7 2.621 4.332 -3.064 1.00 0.00 C ATOM 89 O GLN A 7 1.424 4.525 -2.857 1.00 0.00 O ATOM 90 CB GLN A 7 4.005 5.478 -4.833 1.00 0.00 C ATOM 91 CG GLN A 7 2.905 6.008 -5.755 1.00 0.00 C ATOM 92 CD GLN A 7 3.096 7.501 -6.034 1.00 0.00 C ATOM 93 OE1 GLN A 7 3.727 7.902 -6.998 1.00 0.00 O ATOM 94 NE2 GLN A 7 2.516 8.297 -5.141 1.00 0.00 N ATOM 0 H GLN A 7 5.604 5.555 -2.938 1.00 0.00 H new ATOM 0 HA GLN A 7 3.007 6.433 -3.212 1.00 0.00 H new ATOM 0 HB2 GLN A 7 4.905 6.081 -4.951 1.00 0.00 H new ATOM 0 HB3 GLN A 7 4.264 4.459 -5.119 1.00 0.00 H new ATOM 0 HG2 GLN A 7 2.915 5.455 -6.694 1.00 0.00 H new ATOM 0 HG3 GLN A 7 1.930 5.842 -5.297 1.00 0.00 H new ATOM 0 HE21 GLN A 7 2.002 7.895 -4.357 1.00 0.00 H new ATOM 0 HE22 GLN A 7 2.585 9.310 -5.240 1.00 0.00 H new ATOM 103 N MET A 8 3.202 3.142 -3.045 1.00 0.00 N ATOM 104 CA MET A 8 2.437 1.939 -2.767 1.00 0.00 C ATOM 105 C MET A 8 1.577 2.113 -1.513 1.00 0.00 C ATOM 106 O MET A 8 0.438 1.653 -1.468 1.00 0.00 O ATOM 107 CB MET A 8 3.392 0.759 -2.571 1.00 0.00 C ATOM 108 CG MET A 8 4.144 0.443 -3.865 1.00 0.00 C ATOM 109 SD MET A 8 5.259 -0.928 -3.604 1.00 0.00 S ATOM 110 CE MET A 8 5.721 -1.276 -5.293 1.00 0.00 C ATOM 0 H MET A 8 4.195 2.985 -3.218 1.00 0.00 H new ATOM 0 HA MET A 8 1.778 1.747 -3.614 1.00 0.00 H new ATOM 0 HB2 MET A 8 4.104 0.991 -1.779 1.00 0.00 H new ATOM 0 HB3 MET A 8 2.831 -0.118 -2.249 1.00 0.00 H new ATOM 0 HG2 MET A 8 3.436 0.201 -4.657 1.00 0.00 H new ATOM 0 HG3 MET A 8 4.703 1.319 -4.194 1.00 0.00 H new ATOM 0 HE1 MET A 8 5.388 -2.278 -5.562 1.00 0.00 H new ATOM 0 HE2 MET A 8 5.253 -0.548 -5.956 1.00 0.00 H new ATOM 0 HE3 MET A 8 6.805 -1.214 -5.394 1.00 0.00 H new ATOM 120 N CYS A 9 2.157 2.780 -0.526 1.00 0.00 N ATOM 121 CA CYS A 9 1.458 3.020 0.725 1.00 0.00 C ATOM 122 C CYS A 9 0.193 3.825 0.422 1.00 0.00 C ATOM 123 O CYS A 9 -0.820 3.677 1.104 1.00 0.00 O ATOM 124 CB CYS A 9 2.353 3.728 1.747 1.00 0.00 C ATOM 125 SG CYS A 9 1.508 4.996 2.760 1.00 0.00 S ATOM 0 H CYS A 9 3.102 3.161 -0.567 1.00 0.00 H new ATOM 0 HA CYS A 9 1.182 2.068 1.178 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.783 2.979 2.412 1.00 0.00 H new ATOM 0 HB3 CYS A 9 3.182 4.199 1.218 1.00 0.00 H new ATOM 130 N GLU A 10 0.292 4.660 -0.603 1.00 0.00 N ATOM 131 CA GLU A 10 -0.832 5.487 -1.005 1.00 0.00 C ATOM 132 C GLU A 10 -1.816 4.674 -1.847 1.00 0.00 C ATOM 133 O GLU A 10 -2.897 5.156 -2.184 1.00 0.00 O ATOM 134 CB GLU A 10 -0.355 6.728 -1.764 1.00 0.00 C ATOM 135 CG GLU A 10 -0.359 7.960 -0.858 1.00 0.00 C ATOM 136 CD GLU A 10 -0.457 9.246 -1.681 1.00 0.00 C ATOM 137 OE1 GLU A 10 -1.238 9.237 -2.656 1.00 0.00 O ATOM 138 OE2 GLU A 10 0.253 10.209 -1.317 1.00 0.00 O ATOM 0 H GLU A 10 1.134 4.781 -1.166 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.348 5.826 -0.107 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.651 6.559 -2.149 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.001 6.903 -2.624 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.198 7.903 -0.165 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.550 7.977 -0.257 1.00 0.00 H new ATOM 146 N LEU A 11 -1.407 3.454 -2.163 1.00 0.00 N ATOM 147 CA LEU A 11 -2.240 2.569 -2.959 1.00 0.00 C ATOM 148 C LEU A 11 -3.077 1.688 -2.029 1.00 0.00 C ATOM 149 O LEU A 11 -4.239 1.406 -2.316 1.00 0.00 O ATOM 150 CB LEU A 11 -1.384 1.776 -3.950 1.00 0.00 C ATOM 151 CG LEU A 11 -2.136 0.792 -4.849 1.00 0.00 C ATOM 152 CD1 LEU A 11 -2.967 1.533 -5.898 1.00 0.00 C ATOM 153 CD2 LEU A 11 -1.175 -0.214 -5.485 1.00 0.00 C ATOM 0 H LEU A 11 -0.510 3.058 -1.882 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.938 3.147 -3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.850 2.483 -4.585 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.632 1.222 -3.388 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.831 0.226 -4.229 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.491 0.811 -6.524 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.693 2.176 -5.400 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.310 2.142 -6.519 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.735 -0.902 -6.119 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.439 0.317 -6.088 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.666 -0.776 -4.702 1.00 0.00 H new ATOM 165 N VAL A 12 -2.454 1.280 -0.934 1.00 0.00 N ATOM 166 CA VAL A 12 -3.127 0.438 0.041 1.00 0.00 C ATOM 167 C VAL A 12 -4.136 1.279 0.824 1.00 0.00 C ATOM 168 O VAL A 12 -5.193 0.784 1.213 1.00 0.00 O ATOM 169 CB VAL A 12 -2.096 -0.250 0.939 1.00 0.00 C ATOM 170 CG1 VAL A 12 -1.022 -0.951 0.105 1.00 0.00 C ATOM 171 CG2 VAL A 12 -1.468 0.748 1.914 1.00 0.00 C ATOM 0 H VAL A 12 -1.490 1.517 -0.700 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.683 -0.355 -0.458 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.614 -1.010 1.523 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.302 -1.431 0.768 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.489 -1.704 -0.531 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.509 -0.218 -0.517 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.739 0.235 2.541 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.971 1.540 1.354 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.246 1.181 2.543 1.00 0.00 H new ATOM 181 N VAL A 13 -3.775 2.536 1.032 1.00 0.00 N ATOM 182 CA VAL A 13 -4.637 3.451 1.763 1.00 0.00 C ATOM 183 C VAL A 13 -5.860 3.785 0.907 1.00 0.00 C ATOM 184 O VAL A 13 -6.995 3.547 1.319 1.00 0.00 O ATOM 185 CB VAL A 13 -3.846 4.691 2.184 1.00 0.00 C ATOM 186 CG1 VAL A 13 -2.634 4.305 3.034 1.00 0.00 C ATOM 187 CG2 VAL A 13 -3.422 5.513 0.965 1.00 0.00 C ATOM 0 H VAL A 13 -2.898 2.943 0.708 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.998 2.985 2.680 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.500 5.313 2.795 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.089 5.205 3.320 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.970 3.784 3.930 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.979 3.652 2.458 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.862 6.388 1.293 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.794 4.903 0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.308 5.834 0.417 1.00 0.00 H new ATOM 197 N LYS A 14 -5.589 4.332 -0.269 1.00 0.00 N ATOM 198 CA LYS A 14 -6.653 4.701 -1.186 1.00 0.00 C ATOM 199 C LYS A 14 -7.626 3.529 -1.332 1.00 0.00 C ATOM 200 O LYS A 14 -8.826 3.732 -1.507 1.00 0.00 O ATOM 201 CB LYS A 14 -6.072 5.186 -2.516 1.00 0.00 C ATOM 202 CG LYS A 14 -5.709 4.004 -3.418 1.00 0.00 C ATOM 203 CD LYS A 14 -6.846 3.692 -4.395 1.00 0.00 C ATOM 204 CE LYS A 14 -6.706 4.511 -5.679 1.00 0.00 C ATOM 205 NZ LYS A 14 -5.744 3.867 -6.602 1.00 0.00 N ATOM 0 H LYS A 14 -4.647 4.528 -0.608 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.222 5.541 -0.788 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.796 5.825 -3.022 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.186 5.792 -2.330 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.799 4.231 -3.973 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.498 3.126 -2.807 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.842 2.629 -4.635 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.805 3.909 -3.924 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.677 4.606 -6.165 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.370 5.520 -5.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.711 4.398 -7.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.799 3.860 -6.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.045 2.890 -6.791 1.00 0.00 H new ATOM 219 N LYS A 15 -7.070 2.329 -1.253 1.00 0.00 N ATOM 220 CA LYS A 15 -7.874 1.123 -1.373 1.00 0.00 C ATOM 221 C LYS A 15 -8.603 0.868 -0.053 1.00 0.00 C ATOM 222 O LYS A 15 -9.770 0.480 -0.050 1.00 0.00 O ATOM 223 CB LYS A 15 -7.010 -0.051 -1.835 1.00 0.00 C ATOM 224 CG LYS A 15 -6.646 0.083 -3.316 1.00 0.00 C ATOM 225 CD LYS A 15 -7.902 0.238 -4.176 1.00 0.00 C ATOM 226 CE LYS A 15 -7.613 -0.117 -5.636 1.00 0.00 C ATOM 227 NZ LYS A 15 -8.618 -1.075 -6.145 1.00 0.00 N ATOM 0 H LYS A 15 -6.074 2.165 -1.108 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.638 1.248 -2.140 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.100 -0.095 -1.236 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.545 -0.987 -1.672 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.995 0.946 -3.458 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.086 -0.795 -3.638 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.693 -0.406 -3.791 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.267 1.263 -4.112 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.623 0.787 -6.245 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.615 -0.548 -5.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.761 -0.920 -7.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.283 -2.047 -5.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.518 -0.933 -5.643 1.00 0.00 H new ATOM 241 N TYR A 16 -7.885 1.097 1.037 1.00 0.00 N ATOM 242 CA TYR A 16 -8.450 0.897 2.361 1.00 0.00 C ATOM 243 C TYR A 16 -9.351 2.069 2.756 1.00 0.00 C ATOM 244 O TYR A 16 -10.572 1.929 2.805 1.00 0.00 O ATOM 245 CB TYR A 16 -7.261 0.836 3.322 1.00 0.00 C ATOM 246 CG TYR A 16 -7.655 0.846 4.800 1.00 0.00 C ATOM 247 CD1 TYR A 16 -8.967 0.626 5.167 1.00 0.00 C ATOM 248 CD2 TYR A 16 -6.698 1.076 5.768 1.00 0.00 C ATOM 249 CE1 TYR A 16 -9.337 0.636 6.558 1.00 0.00 C ATOM 250 CE2 TYR A 16 -7.068 1.085 7.160 1.00 0.00 C ATOM 251 CZ TYR A 16 -8.371 0.865 7.485 1.00 0.00 C ATOM 252 OH TYR A 16 -8.720 0.875 8.800 1.00 0.00 O ATOM 0 H TYR A 16 -6.917 1.419 1.030 1.00 0.00 H new ATOM 0 HA TYR A 16 -9.055 -0.009 2.387 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.686 -0.067 3.116 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.604 1.684 3.126 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -9.716 0.446 4.410 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.671 1.249 5.481 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.360 0.465 6.858 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.329 1.262 7.927 1.00 0.00 H new ATOM 0 HH TYR A 16 -9.481 0.274 8.941 1.00 0.00 H new ATOM 262 N GLU A 17 -8.714 3.198 3.027 1.00 0.00 N ATOM 263 CA GLU A 17 -9.441 4.394 3.416 1.00 0.00 C ATOM 264 C GLU A 17 -10.752 4.495 2.633 1.00 0.00 C ATOM 265 O GLU A 17 -11.786 4.859 3.192 1.00 0.00 O ATOM 266 CB GLU A 17 -8.585 5.646 3.217 1.00 0.00 C ATOM 267 CG GLU A 17 -7.502 5.747 4.293 1.00 0.00 C ATOM 268 CD GLU A 17 -8.123 5.882 5.685 1.00 0.00 C ATOM 269 OE1 GLU A 17 -8.470 4.825 6.256 1.00 0.00 O ATOM 270 OE2 GLU A 17 -8.236 7.038 6.145 1.00 0.00 O ATOM 0 H GLU A 17 -7.701 3.310 2.985 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.678 4.323 4.477 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.121 5.621 2.231 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.218 6.533 3.249 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.867 4.862 4.259 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.863 6.606 4.091 1.00 0.00 H new ATOM 278 N GLY A 18 -10.665 4.168 1.352 1.00 0.00 N ATOM 279 CA GLY A 18 -11.832 4.218 0.486 1.00 0.00 C ATOM 280 C GLY A 18 -12.197 2.823 -0.023 1.00 0.00 C ATOM 281 O GLY A 18 -12.315 2.609 -1.228 1.00 0.00 O ATOM 0 H GLY A 18 -9.805 3.868 0.893 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -12.675 4.642 1.031 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.634 4.877 -0.359 1.00 0.00 H new ATOM 285 N SER A 19 -12.366 1.908 0.922 1.00 0.00 N ATOM 286 CA SER A 19 -12.715 0.540 0.584 1.00 0.00 C ATOM 287 C SER A 19 -14.237 0.378 0.564 1.00 0.00 C ATOM 288 O SER A 19 -14.796 -0.150 -0.396 1.00 0.00 O ATOM 289 CB SER A 19 -12.090 -0.448 1.572 1.00 0.00 C ATOM 290 OG SER A 19 -12.031 0.083 2.893 1.00 0.00 O ATOM 0 H SER A 19 -12.267 2.089 1.921 1.00 0.00 H new ATOM 0 HA SER A 19 -12.319 0.321 -0.408 1.00 0.00 H new ATOM 0 HB2 SER A 19 -12.670 -1.371 1.578 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.084 -0.706 1.240 1.00 0.00 H new ATOM 0 HG SER A 19 -11.215 0.615 2.995 1.00 0.00 H new ATOM 296 N ALA A 20 -14.864 0.842 1.635 1.00 0.00 N ATOM 297 CA ALA A 20 -16.309 0.755 1.753 1.00 0.00 C ATOM 298 C ALA A 20 -16.690 -0.620 2.308 1.00 0.00 C ATOM 299 O ALA A 20 -17.841 -0.847 2.676 1.00 0.00 O ATOM 300 CB ALA A 20 -16.950 1.032 0.391 1.00 0.00 C ATOM 0 H ALA A 20 -14.397 1.280 2.429 1.00 0.00 H new ATOM 0 HA ALA A 20 -16.683 1.506 2.449 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -18.034 0.967 0.479 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -16.673 2.031 0.055 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -16.600 0.296 -0.332 1.00 0.00 H new ATOM 306 N ASP A 21 -15.700 -1.500 2.350 1.00 0.00 N ATOM 307 CA ASP A 21 -15.917 -2.845 2.853 1.00 0.00 C ATOM 308 C ASP A 21 -15.088 -3.050 4.122 1.00 0.00 C ATOM 309 O ASP A 21 -15.279 -4.030 4.842 1.00 0.00 O ATOM 310 CB ASP A 21 -15.480 -3.894 1.828 1.00 0.00 C ATOM 311 CG ASP A 21 -16.374 -5.133 1.749 1.00 0.00 C ATOM 312 OD1 ASP A 21 -17.600 -4.960 1.919 1.00 0.00 O ATOM 313 OD2 ASP A 21 -15.811 -6.225 1.519 1.00 0.00 O ATOM 0 H ASP A 21 -14.746 -1.307 2.044 1.00 0.00 H new ATOM 0 HA ASP A 21 -16.982 -2.961 3.056 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.445 -3.426 0.844 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.465 -4.212 2.066 1.00 0.00 H new ATOM 319 N LYS A 22 -14.185 -2.111 4.359 1.00 0.00 N ATOM 320 CA LYS A 22 -13.326 -2.175 5.529 1.00 0.00 C ATOM 321 C LYS A 22 -12.788 -3.600 5.683 1.00 0.00 C ATOM 322 O LYS A 22 -13.081 -4.274 6.669 1.00 0.00 O ATOM 323 CB LYS A 22 -14.065 -1.660 6.765 1.00 0.00 C ATOM 324 CG LYS A 22 -14.766 -0.332 6.471 1.00 0.00 C ATOM 325 CD LYS A 22 -13.748 0.792 6.266 1.00 0.00 C ATOM 326 CE LYS A 22 -13.887 1.862 7.351 1.00 0.00 C ATOM 327 NZ LYS A 22 -12.554 2.302 7.818 1.00 0.00 N ATOM 0 H LYS A 22 -14.029 -1.300 3.760 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.464 -1.519 5.406 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -14.798 -2.399 7.089 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -13.360 -1.529 7.586 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -15.386 -0.433 5.580 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -15.432 -0.078 7.295 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.739 0.381 6.283 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -13.892 1.243 5.284 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -14.442 2.715 6.960 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -14.460 1.466 8.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.666 3.028 8.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.038 1.489 8.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.020 2.699 7.019 1.00 0.00 H new ATOM 341 N ASP A 23 -12.012 -4.015 4.693 1.00 0.00 N ATOM 342 CA ASP A 23 -11.430 -5.347 4.707 1.00 0.00 C ATOM 343 C ASP A 23 -9.983 -5.272 4.216 1.00 0.00 C ATOM 344 O ASP A 23 -9.736 -5.027 3.036 1.00 0.00 O ATOM 345 CB ASP A 23 -12.197 -6.291 3.778 1.00 0.00 C ATOM 346 CG ASP A 23 -11.983 -7.782 4.052 1.00 0.00 C ATOM 347 OD1 ASP A 23 -11.127 -8.084 4.911 1.00 0.00 O ATOM 348 OD2 ASP A 23 -12.680 -8.585 3.395 1.00 0.00 O ATOM 0 H ASP A 23 -11.772 -3.453 3.876 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.478 -5.726 5.728 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.261 -6.071 3.859 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.905 -6.080 2.749 1.00 0.00 H new ATOM 354 N ALA A 24 -9.065 -5.487 5.146 1.00 0.00 N ATOM 355 CA ALA A 24 -7.649 -5.447 4.822 1.00 0.00 C ATOM 356 C ALA A 24 -7.343 -6.506 3.762 1.00 0.00 C ATOM 357 O ALA A 24 -6.275 -6.486 3.150 1.00 0.00 O ATOM 358 CB ALA A 24 -6.828 -5.644 6.098 1.00 0.00 C ATOM 0 H ALA A 24 -9.274 -5.689 6.124 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.377 -4.477 4.406 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.766 -5.614 5.855 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.061 -4.849 6.807 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.072 -6.609 6.542 1.00 0.00 H new ATOM 364 N ASN A 25 -8.296 -7.406 3.577 1.00 0.00 N ATOM 365 CA ASN A 25 -8.142 -8.471 2.602 1.00 0.00 C ATOM 366 C ASN A 25 -8.442 -7.926 1.204 1.00 0.00 C ATOM 367 O ASN A 25 -7.589 -7.968 0.320 1.00 0.00 O ATOM 368 CB ASN A 25 -9.115 -9.620 2.880 1.00 0.00 C ATOM 369 CG ASN A 25 -8.481 -10.665 3.801 1.00 0.00 C ATOM 370 OD1 ASN A 25 -7.277 -10.712 3.992 1.00 0.00 O ATOM 371 ND2 ASN A 25 -9.356 -11.496 4.357 1.00 0.00 N ATOM 0 H ASN A 25 -9.179 -7.420 4.087 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.119 -8.841 2.668 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.023 -9.229 3.339 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.408 -10.088 1.940 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.033 -12.230 4.987 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.351 -11.400 4.153 1.00 0.00 H new ATOM 378 N VAL A 26 -9.659 -7.424 1.049 1.00 0.00 N ATOM 379 CA VAL A 26 -10.084 -6.870 -0.226 1.00 0.00 C ATOM 380 C VAL A 26 -9.329 -5.565 -0.485 1.00 0.00 C ATOM 381 O VAL A 26 -9.432 -4.990 -1.568 1.00 0.00 O ATOM 382 CB VAL A 26 -11.603 -6.695 -0.241 1.00 0.00 C ATOM 383 CG1 VAL A 26 -12.141 -6.698 -1.673 1.00 0.00 C ATOM 384 CG2 VAL A 26 -12.287 -7.772 0.604 1.00 0.00 C ATOM 0 H VAL A 26 -10.364 -7.389 1.785 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.842 -7.554 -1.040 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.833 -5.726 0.201 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -13.224 -6.572 -1.655 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.690 -5.879 -2.233 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.894 -7.645 -2.153 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.367 -7.625 0.577 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -12.045 -8.757 0.204 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.937 -7.703 1.634 1.00 0.00 H new ATOM 394 N ILE A 27 -8.588 -5.135 0.526 1.00 0.00 N ATOM 395 CA ILE A 27 -7.816 -3.908 0.420 1.00 0.00 C ATOM 396 C ILE A 27 -6.413 -4.237 -0.094 1.00 0.00 C ATOM 397 O ILE A 27 -6.000 -3.743 -1.142 1.00 0.00 O ATOM 398 CB ILE A 27 -7.823 -3.155 1.751 1.00 0.00 C ATOM 399 CG1 ILE A 27 -9.195 -2.535 2.023 1.00 0.00 C ATOM 400 CG2 ILE A 27 -6.704 -2.112 1.798 1.00 0.00 C ATOM 401 CD1 ILE A 27 -9.309 -2.069 3.476 1.00 0.00 C ATOM 0 H ILE A 27 -8.506 -5.614 1.423 1.00 0.00 H new ATOM 0 HA ILE A 27 -8.271 -3.232 -0.304 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.629 -3.872 2.549 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -9.355 -1.690 1.353 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.976 -3.264 1.809 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.732 -1.591 2.755 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.740 -2.607 1.682 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.842 -1.394 0.990 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -10.294 -1.632 3.642 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.172 -2.920 4.143 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.542 -1.322 3.680 1.00 0.00 H new ATOM 413 N LYS A 28 -5.717 -5.068 0.669 1.00 0.00 N ATOM 414 CA LYS A 28 -4.369 -5.466 0.304 1.00 0.00 C ATOM 415 C LYS A 28 -4.362 -5.961 -1.144 1.00 0.00 C ATOM 416 O LYS A 28 -3.438 -5.666 -1.900 1.00 0.00 O ATOM 417 CB LYS A 28 -3.823 -6.488 1.304 1.00 0.00 C ATOM 418 CG LYS A 28 -4.301 -7.901 0.962 1.00 0.00 C ATOM 419 CD LYS A 28 -3.499 -8.952 1.729 1.00 0.00 C ATOM 420 CE LYS A 28 -3.582 -8.713 3.239 1.00 0.00 C ATOM 421 NZ LYS A 28 -4.932 -9.054 3.743 1.00 0.00 N ATOM 0 H LYS A 28 -6.062 -5.476 1.538 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.694 -4.612 0.353 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.733 -6.458 1.301 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.146 -6.225 2.311 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.359 -7.999 1.203 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.201 -8.073 -0.110 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.878 -9.947 1.494 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.457 -8.924 1.410 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.833 -9.317 3.751 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.357 -7.670 3.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.861 -9.396 4.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.537 -8.208 3.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.348 -9.797 3.146 1.00 0.00 H new ATOM 435 N LYS A 29 -5.404 -6.703 -1.488 1.00 0.00 N ATOM 436 CA LYS A 29 -5.530 -7.240 -2.832 1.00 0.00 C ATOM 437 C LYS A 29 -5.779 -6.094 -3.813 1.00 0.00 C ATOM 438 O LYS A 29 -5.105 -5.992 -4.838 1.00 0.00 O ATOM 439 CB LYS A 29 -6.602 -8.331 -2.875 1.00 0.00 C ATOM 440 CG LYS A 29 -6.082 -9.636 -2.267 1.00 0.00 C ATOM 441 CD LYS A 29 -7.206 -10.401 -1.567 1.00 0.00 C ATOM 442 CE LYS A 29 -8.448 -10.488 -2.457 1.00 0.00 C ATOM 443 NZ LYS A 29 -8.200 -11.389 -3.604 1.00 0.00 N ATOM 0 H LYS A 29 -6.169 -6.945 -0.859 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.603 -7.725 -3.137 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.486 -7.999 -2.330 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.909 -8.503 -3.907 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.647 -10.258 -3.049 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.287 -9.418 -1.554 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.865 -11.405 -1.314 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.460 -9.905 -0.630 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.294 -10.854 -1.876 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.715 -9.495 -2.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.052 -11.437 -4.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.406 -11.024 -4.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.968 -12.340 -3.254 1.00 0.00 H new ATOM 457 N ASP A 30 -6.748 -5.260 -3.466 1.00 0.00 N ATOM 458 CA ASP A 30 -7.094 -4.125 -4.304 1.00 0.00 C ATOM 459 C ASP A 30 -5.814 -3.419 -4.755 1.00 0.00 C ATOM 460 O ASP A 30 -5.633 -3.153 -5.941 1.00 0.00 O ATOM 461 CB ASP A 30 -7.946 -3.112 -3.535 1.00 0.00 C ATOM 462 CG ASP A 30 -9.458 -3.288 -3.690 1.00 0.00 C ATOM 463 OD1 ASP A 30 -9.852 -4.320 -4.276 1.00 0.00 O ATOM 464 OD2 ASP A 30 -10.185 -2.388 -3.219 1.00 0.00 O ATOM 0 H ASP A 30 -7.304 -5.348 -2.616 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.659 -4.498 -5.159 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.694 -3.178 -2.476 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.677 -2.109 -3.865 1.00 0.00 H new ATOM 470 N PHE A 31 -4.957 -3.138 -3.783 1.00 0.00 N ATOM 471 CA PHE A 31 -3.699 -2.470 -4.065 1.00 0.00 C ATOM 472 C PHE A 31 -2.991 -3.114 -5.260 1.00 0.00 C ATOM 473 O PHE A 31 -2.791 -2.470 -6.288 1.00 0.00 O ATOM 474 CB PHE A 31 -2.821 -2.625 -2.822 1.00 0.00 C ATOM 475 CG PHE A 31 -1.336 -2.354 -3.071 1.00 0.00 C ATOM 476 CD1 PHE A 31 -0.529 -3.350 -3.524 1.00 0.00 C ATOM 477 CD2 PHE A 31 -0.823 -1.116 -2.840 1.00 0.00 C ATOM 478 CE1 PHE A 31 0.850 -3.099 -3.755 1.00 0.00 C ATOM 479 CE2 PHE A 31 0.556 -0.863 -3.070 1.00 0.00 C ATOM 480 CZ PHE A 31 1.363 -1.860 -3.522 1.00 0.00 C ATOM 0 H PHE A 31 -5.110 -3.361 -2.800 1.00 0.00 H new ATOM 0 HA PHE A 31 -3.880 -1.423 -4.306 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.179 -1.945 -2.050 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.935 -3.637 -2.433 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.937 -4.333 -3.708 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.464 -0.324 -2.481 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.491 -3.890 -4.115 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.963 0.120 -2.886 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.412 -1.669 -3.696 1.00 0.00 H new ATOM 490 N ASP A 32 -2.631 -4.376 -5.082 1.00 0.00 N ATOM 491 CA ASP A 32 -1.950 -5.115 -6.132 1.00 0.00 C ATOM 492 C ASP A 32 -2.647 -4.854 -7.468 1.00 0.00 C ATOM 493 O ASP A 32 -1.990 -4.694 -8.494 1.00 0.00 O ATOM 494 CB ASP A 32 -1.992 -6.620 -5.862 1.00 0.00 C ATOM 495 CG ASP A 32 -1.183 -7.475 -6.840 1.00 0.00 C ATOM 496 OD1 ASP A 32 -0.118 -6.986 -7.275 1.00 0.00 O ATOM 497 OD2 ASP A 32 -1.648 -8.599 -7.130 1.00 0.00 O ATOM 0 H ASP A 32 -2.798 -4.906 -4.227 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.912 -4.783 -6.160 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.624 -6.803 -4.852 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.031 -6.950 -5.888 1.00 0.00 H new ATOM 503 N ALA A 33 -3.971 -4.820 -7.411 1.00 0.00 N ATOM 504 CA ALA A 33 -4.766 -4.581 -8.604 1.00 0.00 C ATOM 505 C ALA A 33 -4.212 -3.362 -9.344 1.00 0.00 C ATOM 506 O ALA A 33 -3.754 -3.476 -10.481 1.00 0.00 O ATOM 507 CB ALA A 33 -6.235 -4.410 -8.214 1.00 0.00 C ATOM 0 H ALA A 33 -4.513 -4.954 -6.557 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.707 -5.433 -9.282 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.831 -4.231 -9.109 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.588 -5.315 -7.719 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.335 -3.563 -7.536 1.00 0.00 H new ATOM 513 N GLU A 34 -4.274 -2.223 -8.671 1.00 0.00 N ATOM 514 CA GLU A 34 -3.784 -0.984 -9.250 1.00 0.00 C ATOM 515 C GLU A 34 -2.268 -0.880 -9.081 1.00 0.00 C ATOM 516 O GLU A 34 -1.691 0.194 -9.252 1.00 0.00 O ATOM 517 CB GLU A 34 -4.489 0.226 -8.633 1.00 0.00 C ATOM 518 CG GLU A 34 -4.210 1.495 -9.441 1.00 0.00 C ATOM 519 CD GLU A 34 -4.531 1.284 -10.922 1.00 0.00 C ATOM 520 OE1 GLU A 34 -5.734 1.345 -11.255 1.00 0.00 O ATOM 521 OE2 GLU A 34 -3.566 1.067 -11.687 1.00 0.00 O ATOM 0 H GLU A 34 -4.656 -2.132 -7.730 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.010 -0.991 -10.316 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.563 0.044 -8.594 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.151 0.363 -7.606 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.807 2.318 -9.049 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.164 1.779 -9.329 1.00 0.00 H new ATOM 529 N CYS A 35 -1.663 -2.011 -8.745 1.00 0.00 N ATOM 530 CA CYS A 35 -0.225 -2.061 -8.550 1.00 0.00 C ATOM 531 C CYS A 35 0.412 -2.642 -9.814 1.00 0.00 C ATOM 532 O CYS A 35 1.179 -1.965 -10.496 1.00 0.00 O ATOM 533 CB CYS A 35 0.150 -2.863 -7.302 1.00 0.00 C ATOM 534 SG CYS A 35 1.654 -2.280 -6.438 1.00 0.00 S ATOM 0 H CYS A 35 -2.144 -2.899 -8.603 1.00 0.00 H new ATOM 0 HA CYS A 35 0.156 -1.054 -8.382 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.687 -2.835 -6.604 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.293 -3.905 -7.587 1.00 0.00 H new ATOM 539 N LYS A 36 0.070 -3.893 -10.089 1.00 0.00 N ATOM 540 CA LYS A 36 0.598 -4.574 -11.258 1.00 0.00 C ATOM 541 C LYS A 36 0.193 -3.805 -12.517 1.00 0.00 C ATOM 542 O LYS A 36 0.907 -3.824 -13.518 1.00 0.00 O ATOM 543 CB LYS A 36 0.162 -6.041 -11.267 1.00 0.00 C ATOM 544 CG LYS A 36 1.207 -6.928 -10.586 1.00 0.00 C ATOM 545 CD LYS A 36 1.081 -8.379 -11.051 1.00 0.00 C ATOM 546 CE LYS A 36 2.205 -8.743 -12.024 1.00 0.00 C ATOM 547 NZ LYS A 36 2.757 -10.077 -11.702 1.00 0.00 N ATOM 0 H LYS A 36 -0.567 -4.452 -9.521 1.00 0.00 H new ATOM 0 HA LYS A 36 1.688 -4.590 -11.229 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.795 -6.143 -10.756 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.012 -6.373 -12.294 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.207 -6.556 -10.810 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.083 -6.877 -9.504 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.112 -9.045 -10.189 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.115 -8.527 -11.534 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.826 -8.737 -13.046 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.995 -7.994 -11.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.518 -10.308 -12.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.137 -10.071 -10.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.004 -10.791 -11.774 1.00 0.00 H new ATOM 561 N LYS A 37 -0.954 -3.146 -12.426 1.00 0.00 N ATOM 562 CA LYS A 37 -1.463 -2.372 -13.545 1.00 0.00 C ATOM 563 C LYS A 37 -0.741 -1.024 -13.598 1.00 0.00 C ATOM 564 O LYS A 37 -0.173 -0.659 -14.625 1.00 0.00 O ATOM 565 CB LYS A 37 -2.986 -2.251 -13.465 1.00 0.00 C ATOM 566 CG LYS A 37 -3.652 -3.621 -13.599 1.00 0.00 C ATOM 567 CD LYS A 37 -5.075 -3.597 -13.037 1.00 0.00 C ATOM 568 CE LYS A 37 -6.063 -4.230 -14.019 1.00 0.00 C ATOM 569 NZ LYS A 37 -6.310 -5.646 -13.665 1.00 0.00 N ATOM 0 H LYS A 37 -1.545 -3.133 -11.594 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.256 -2.882 -14.486 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.269 -1.796 -12.516 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.344 -1.590 -14.254 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.677 -3.916 -14.648 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.061 -4.370 -13.071 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.105 -4.134 -12.089 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.371 -2.569 -12.830 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.002 -3.677 -14.007 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.669 -4.166 -15.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.983 -6.061 -14.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.415 -6.174 -13.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.707 -5.700 -12.705 1.00 0.00 H new ATOM 583 N LEU A 38 -0.788 -0.320 -12.476 1.00 0.00 N ATOM 584 CA LEU A 38 -0.145 0.980 -12.380 1.00 0.00 C ATOM 585 C LEU A 38 1.356 0.822 -12.630 1.00 0.00 C ATOM 586 O LEU A 38 1.908 1.448 -13.534 1.00 0.00 O ATOM 587 CB LEU A 38 -0.479 1.646 -11.044 1.00 0.00 C ATOM 588 CG LEU A 38 -0.043 3.105 -10.894 1.00 0.00 C ATOM 589 CD1 LEU A 38 -0.370 3.635 -9.497 1.00 0.00 C ATOM 590 CD2 LEU A 38 1.439 3.272 -11.238 1.00 0.00 C ATOM 0 H LEU A 38 -1.261 -0.625 -11.626 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.528 1.651 -13.149 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.557 1.593 -10.894 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.017 1.065 -10.246 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.609 3.705 -11.606 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.050 4.674 -9.418 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.445 3.573 -9.327 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.151 3.037 -8.750 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.723 4.318 -11.123 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.040 2.657 -10.568 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.611 2.960 -12.268 1.00 0.00 H new ATOM 602 N PHE A 39 1.974 -0.019 -11.814 1.00 0.00 N ATOM 603 CA PHE A 39 3.401 -0.267 -11.935 1.00 0.00 C ATOM 604 C PHE A 39 3.677 -1.403 -12.922 1.00 0.00 C ATOM 605 O PHE A 39 4.659 -2.130 -12.777 1.00 0.00 O ATOM 606 CB PHE A 39 3.903 -0.677 -10.549 1.00 0.00 C ATOM 607 CG PHE A 39 3.395 0.216 -9.416 1.00 0.00 C ATOM 608 CD1 PHE A 39 3.905 1.466 -9.254 1.00 0.00 C ATOM 609 CD2 PHE A 39 2.435 -0.242 -8.568 1.00 0.00 C ATOM 610 CE1 PHE A 39 3.435 2.294 -8.201 1.00 0.00 C ATOM 611 CE2 PHE A 39 1.964 0.586 -7.515 1.00 0.00 C ATOM 612 CZ PHE A 39 2.474 1.837 -7.353 1.00 0.00 C ATOM 0 H PHE A 39 1.513 -0.537 -11.066 1.00 0.00 H new ATOM 0 HA PHE A 39 3.905 0.627 -12.301 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.598 -1.705 -10.353 1.00 0.00 H new ATOM 0 HB3 PHE A 39 4.993 -0.662 -10.549 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.668 1.829 -9.927 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.031 -1.235 -8.696 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.840 3.287 -8.073 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.201 0.223 -6.843 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.116 2.467 -6.552 1.00 0.00 H new ATOM 622 N HIS A 40 2.793 -1.522 -13.902 1.00 0.00 N ATOM 623 CA HIS A 40 2.930 -2.558 -14.912 1.00 0.00 C ATOM 624 C HIS A 40 4.282 -2.415 -15.614 1.00 0.00 C ATOM 625 O HIS A 40 4.759 -3.356 -16.246 1.00 0.00 O ATOM 626 CB HIS A 40 1.751 -2.526 -15.886 1.00 0.00 C ATOM 627 CG HIS A 40 1.718 -1.303 -16.770 1.00 0.00 C ATOM 628 ND1 HIS A 40 1.456 -1.367 -18.128 1.00 0.00 N ATOM 629 CD2 HIS A 40 1.914 0.015 -16.477 1.00 0.00 C ATOM 630 CE1 HIS A 40 1.497 -0.137 -18.620 1.00 0.00 C ATOM 631 NE2 HIS A 40 1.782 0.718 -17.596 1.00 0.00 N ATOM 0 H HIS A 40 1.979 -0.918 -14.018 1.00 0.00 H new ATOM 0 HA HIS A 40 2.908 -3.539 -14.437 1.00 0.00 H new ATOM 0 HB2 HIS A 40 1.788 -3.415 -16.515 1.00 0.00 H new ATOM 0 HB3 HIS A 40 0.822 -2.576 -15.318 1.00 0.00 H new ATOM 0 HD2 HIS A 40 2.138 0.418 -15.501 1.00 0.00 H new ATOM 0 HE1 HIS A 40 1.333 0.140 -19.651 1.00 0.00 H new ATOM 0 HE2 HIS A 40 1.878 1.730 -17.676 1.00 0.00 H new ATOM 640 N THR A 41 4.861 -1.231 -15.477 1.00 0.00 N ATOM 641 CA THR A 41 6.150 -0.953 -16.090 1.00 0.00 C ATOM 642 C THR A 41 7.127 -0.401 -15.050 1.00 0.00 C ATOM 643 O THR A 41 7.449 0.786 -15.065 1.00 0.00 O ATOM 644 CB THR A 41 5.918 -0.007 -17.269 1.00 0.00 C ATOM 645 OG1 THR A 41 5.371 1.165 -16.672 1.00 0.00 O ATOM 646 CG2 THR A 41 4.811 -0.498 -18.206 1.00 0.00 C ATOM 0 H THR A 41 4.462 -0.453 -14.951 1.00 0.00 H new ATOM 0 HA THR A 41 6.612 -1.864 -16.472 1.00 0.00 H new ATOM 0 HB THR A 41 6.846 0.106 -17.830 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.909 1.417 -15.893 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.687 0.210 -19.025 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.081 -1.475 -18.608 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.875 -0.580 -17.653 1.00 0.00 H new ATOM 654 N ILE A 42 7.572 -1.289 -14.173 1.00 0.00 N ATOM 655 CA ILE A 42 8.506 -0.905 -13.129 1.00 0.00 C ATOM 656 C ILE A 42 9.400 -2.098 -12.786 1.00 0.00 C ATOM 657 O ILE A 42 8.939 -3.238 -12.767 1.00 0.00 O ATOM 658 CB ILE A 42 7.757 -0.332 -11.924 1.00 0.00 C ATOM 659 CG1 ILE A 42 7.186 1.052 -12.241 1.00 0.00 C ATOM 660 CG2 ILE A 42 8.649 -0.313 -10.681 1.00 0.00 C ATOM 661 CD1 ILE A 42 6.858 1.817 -10.957 1.00 0.00 C ATOM 0 H ILE A 42 7.303 -2.273 -14.164 1.00 0.00 H new ATOM 0 HA ILE A 42 9.160 -0.106 -13.478 1.00 0.00 H new ATOM 0 HB ILE A 42 6.913 -0.986 -11.704 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.905 1.619 -12.833 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.286 0.948 -12.847 1.00 0.00 H new ATOM 0 HG21 ILE A 42 8.092 0.099 -9.840 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.965 -1.329 -10.444 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.526 0.305 -10.872 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.454 2.797 -11.211 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.121 1.259 -10.379 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.765 1.941 -10.365 1.00 0.00 H new ATOM 673 N PRO A 43 10.696 -1.787 -12.517 1.00 0.00 N ATOM 674 CA PRO A 43 11.659 -2.821 -12.177 1.00 0.00 C ATOM 675 C PRO A 43 11.446 -3.317 -10.745 1.00 0.00 C ATOM 676 O PRO A 43 11.763 -2.616 -9.787 1.00 0.00 O ATOM 677 CB PRO A 43 13.019 -2.175 -12.385 1.00 0.00 C ATOM 678 CG PRO A 43 12.774 -0.675 -12.384 1.00 0.00 C ATOM 679 CD PRO A 43 11.278 -0.447 -12.531 1.00 0.00 C ATOM 0 HA PRO A 43 11.557 -3.712 -12.797 1.00 0.00 H new ATOM 0 HB2 PRO A 43 13.711 -2.458 -11.592 1.00 0.00 H new ATOM 0 HB3 PRO A 43 13.464 -2.497 -13.326 1.00 0.00 H new ATOM 0 HG2 PRO A 43 13.139 -0.229 -11.459 1.00 0.00 H new ATOM 0 HG3 PRO A 43 13.315 -0.199 -13.202 1.00 0.00 H new ATOM 0 HD2 PRO A 43 10.888 0.163 -11.716 1.00 0.00 H new ATOM 0 HD3 PRO A 43 11.046 0.076 -13.459 1.00 0.00 H new ATOM 687 N PHE A 44 10.909 -4.526 -10.646 1.00 0.00 N ATOM 688 CA PHE A 44 10.650 -5.125 -9.349 1.00 0.00 C ATOM 689 C PHE A 44 9.395 -4.526 -8.709 1.00 0.00 C ATOM 690 O PHE A 44 8.974 -4.959 -7.637 1.00 0.00 O ATOM 691 CB PHE A 44 11.857 -4.814 -8.463 1.00 0.00 C ATOM 692 CG PHE A 44 13.193 -4.810 -9.209 1.00 0.00 C ATOM 693 CD1 PHE A 44 13.546 -5.877 -9.976 1.00 0.00 C ATOM 694 CD2 PHE A 44 14.026 -3.740 -9.108 1.00 0.00 C ATOM 695 CE1 PHE A 44 14.785 -5.873 -10.670 1.00 0.00 C ATOM 696 CE2 PHE A 44 15.265 -3.737 -9.801 1.00 0.00 C ATOM 697 CZ PHE A 44 15.619 -4.803 -10.568 1.00 0.00 C ATOM 0 H PHE A 44 10.647 -5.105 -11.443 1.00 0.00 H new ATOM 0 HA PHE A 44 10.493 -6.198 -9.460 1.00 0.00 H new ATOM 0 HB2 PHE A 44 11.711 -3.840 -7.996 1.00 0.00 H new ATOM 0 HB3 PHE A 44 11.904 -5.549 -7.659 1.00 0.00 H new ATOM 0 HD1 PHE A 44 12.884 -6.727 -10.057 1.00 0.00 H new ATOM 0 HD2 PHE A 44 13.745 -2.892 -8.501 1.00 0.00 H new ATOM 0 HE1 PHE A 44 15.065 -6.720 -11.279 1.00 0.00 H new ATOM 0 HE2 PHE A 44 15.927 -2.888 -9.719 1.00 0.00 H new ATOM 0 HZ PHE A 44 16.561 -4.800 -11.096 1.00 0.00 H new ATOM 707 N GLY A 45 8.834 -3.541 -9.394 1.00 0.00 N ATOM 708 CA GLY A 45 7.636 -2.879 -8.906 1.00 0.00 C ATOM 709 C GLY A 45 6.564 -3.899 -8.518 1.00 0.00 C ATOM 710 O GLY A 45 6.134 -3.945 -7.366 1.00 0.00 O ATOM 0 H GLY A 45 9.186 -3.185 -10.283 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.884 -2.261 -8.043 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.246 -2.212 -9.675 1.00 0.00 H new ATOM 714 N THR A 46 6.164 -4.692 -9.501 1.00 0.00 N ATOM 715 CA THR A 46 5.151 -5.709 -9.276 1.00 0.00 C ATOM 716 C THR A 46 5.614 -6.695 -8.201 1.00 0.00 C ATOM 717 O THR A 46 4.803 -7.196 -7.423 1.00 0.00 O ATOM 718 CB THR A 46 4.844 -6.375 -10.619 1.00 0.00 C ATOM 719 OG1 THR A 46 6.105 -6.873 -11.058 1.00 0.00 O ATOM 720 CG2 THR A 46 4.448 -5.364 -11.697 1.00 0.00 C ATOM 0 H THR A 46 6.523 -4.651 -10.455 1.00 0.00 H new ATOM 0 HA THR A 46 4.229 -5.271 -8.895 1.00 0.00 H new ATOM 0 HB THR A 46 4.041 -7.100 -10.488 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.996 -7.322 -11.922 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.241 -5.889 -12.630 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.556 -4.824 -11.379 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.264 -4.658 -11.851 1.00 0.00 H new ATOM 728 N ARG A 47 6.915 -6.944 -8.193 1.00 0.00 N ATOM 729 CA ARG A 47 7.495 -7.860 -7.227 1.00 0.00 C ATOM 730 C ARG A 47 7.307 -7.324 -5.806 1.00 0.00 C ATOM 731 O ARG A 47 6.924 -8.067 -4.904 1.00 0.00 O ATOM 732 CB ARG A 47 8.988 -8.068 -7.492 1.00 0.00 C ATOM 733 CG ARG A 47 9.217 -8.714 -8.860 1.00 0.00 C ATOM 734 CD ARG A 47 8.738 -10.168 -8.866 1.00 0.00 C ATOM 735 NE ARG A 47 8.865 -10.736 -10.227 1.00 0.00 N ATOM 736 CZ ARG A 47 8.911 -12.049 -10.491 1.00 0.00 C ATOM 737 NH1 ARG A 47 8.843 -12.937 -9.490 1.00 0.00 N ATOM 738 NH2 ARG A 47 9.028 -12.474 -11.757 1.00 0.00 N ATOM 0 H ARG A 47 7.584 -6.527 -8.840 1.00 0.00 H new ATOM 0 HA ARG A 47 6.982 -8.816 -7.329 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.506 -7.110 -7.447 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.415 -8.698 -6.712 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.686 -8.149 -9.626 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.277 -8.675 -9.112 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.325 -10.756 -8.161 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.700 -10.219 -8.537 1.00 0.00 H new ATOM 0 HE ARG A 47 8.921 -10.088 -11.013 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.756 -12.614 -8.526 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.878 -13.936 -9.691 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.082 -11.798 -12.519 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.063 -13.473 -11.958 1.00 0.00 H new ATOM 752 N GLU A 48 7.585 -6.037 -5.652 1.00 0.00 N ATOM 753 CA GLU A 48 7.450 -5.393 -4.357 1.00 0.00 C ATOM 754 C GLU A 48 5.974 -5.283 -3.969 1.00 0.00 C ATOM 755 O GLU A 48 5.631 -5.352 -2.789 1.00 0.00 O ATOM 756 CB GLU A 48 8.120 -4.018 -4.356 1.00 0.00 C ATOM 757 CG GLU A 48 9.141 -3.906 -3.221 1.00 0.00 C ATOM 758 CD GLU A 48 10.118 -5.082 -3.245 1.00 0.00 C ATOM 759 OE1 GLU A 48 11.000 -5.071 -4.132 1.00 0.00 O ATOM 760 OE2 GLU A 48 9.962 -5.968 -2.375 1.00 0.00 O ATOM 0 H GLU A 48 7.903 -5.424 -6.403 1.00 0.00 H new ATOM 0 HA GLU A 48 7.956 -6.009 -3.613 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.615 -3.850 -5.313 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.363 -3.241 -4.247 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.691 -2.970 -3.313 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.623 -3.878 -2.262 1.00 0.00 H new ATOM 768 N CYS A 49 5.139 -5.115 -4.984 1.00 0.00 N ATOM 769 CA CYS A 49 3.708 -4.995 -4.765 1.00 0.00 C ATOM 770 C CYS A 49 3.266 -6.135 -3.845 1.00 0.00 C ATOM 771 O CYS A 49 2.842 -5.896 -2.715 1.00 0.00 O ATOM 772 CB CYS A 49 2.932 -4.992 -6.083 1.00 0.00 C ATOM 773 SG CYS A 49 3.134 -3.477 -7.089 1.00 0.00 S ATOM 0 H CYS A 49 5.427 -5.059 -5.961 1.00 0.00 H new ATOM 0 HA CYS A 49 3.489 -4.039 -4.289 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.248 -5.850 -6.676 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.873 -5.128 -5.865 1.00 0.00 H new ATOM 778 N ASP A 50 3.381 -7.349 -4.362 1.00 0.00 N ATOM 779 CA ASP A 50 2.999 -8.526 -3.602 1.00 0.00 C ATOM 780 C ASP A 50 3.764 -8.543 -2.277 1.00 0.00 C ATOM 781 O ASP A 50 3.272 -9.066 -1.278 1.00 0.00 O ATOM 782 CB ASP A 50 3.342 -9.809 -4.362 1.00 0.00 C ATOM 783 CG ASP A 50 2.786 -11.095 -3.746 1.00 0.00 C ATOM 784 OD1 ASP A 50 3.447 -11.612 -2.820 1.00 0.00 O ATOM 785 OD2 ASP A 50 1.712 -11.530 -4.215 1.00 0.00 O ATOM 0 H ASP A 50 3.734 -7.543 -5.299 1.00 0.00 H new ATOM 0 HA ASP A 50 1.923 -8.483 -3.434 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.967 -9.721 -5.381 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.427 -9.895 -4.428 1.00 0.00 H new ATOM 791 N HIS A 51 4.955 -7.964 -2.311 1.00 0.00 N ATOM 792 CA HIS A 51 5.794 -7.906 -1.126 1.00 0.00 C ATOM 793 C HIS A 51 5.405 -6.690 -0.282 1.00 0.00 C ATOM 794 O HIS A 51 6.100 -6.344 0.672 1.00 0.00 O ATOM 795 CB HIS A 51 7.275 -7.913 -1.507 1.00 0.00 C ATOM 796 CG HIS A 51 8.051 -9.075 -0.934 1.00 0.00 C ATOM 797 ND1 HIS A 51 8.529 -10.115 -1.713 1.00 0.00 N ATOM 798 CD2 HIS A 51 8.427 -9.351 0.348 1.00 0.00 C ATOM 799 CE1 HIS A 51 9.161 -10.971 -0.925 1.00 0.00 C ATOM 800 NE2 HIS A 51 9.097 -10.496 0.352 1.00 0.00 N ATOM 0 H HIS A 51 5.359 -7.531 -3.141 1.00 0.00 H new ATOM 0 HA HIS A 51 5.632 -8.796 -0.517 1.00 0.00 H new ATOM 0 HB2 HIS A 51 7.360 -7.933 -2.593 1.00 0.00 H new ATOM 0 HB3 HIS A 51 7.731 -6.983 -1.169 1.00 0.00 H new ATOM 0 HD2 HIS A 51 8.215 -8.741 1.213 1.00 0.00 H new ATOM 0 HE1 HIS A 51 9.643 -11.885 -1.238 1.00 0.00 H new ATOM 0 HE2 HIS A 51 9.498 -10.947 1.174 1.00 0.00 H new ATOM 809 N TYR A 52 4.294 -6.076 -0.662 1.00 0.00 N ATOM 810 CA TYR A 52 3.804 -4.907 0.047 1.00 0.00 C ATOM 811 C TYR A 52 2.462 -5.197 0.721 1.00 0.00 C ATOM 812 O TYR A 52 2.223 -4.766 1.848 1.00 0.00 O ATOM 813 CB TYR A 52 3.606 -3.822 -1.013 1.00 0.00 C ATOM 814 CG TYR A 52 3.581 -2.399 -0.451 1.00 0.00 C ATOM 815 CD1 TYR A 52 4.722 -1.857 0.106 1.00 0.00 C ATOM 816 CD2 TYR A 52 2.418 -1.658 -0.502 1.00 0.00 C ATOM 817 CE1 TYR A 52 4.698 -0.519 0.634 1.00 0.00 C ATOM 818 CE2 TYR A 52 2.395 -0.318 0.028 1.00 0.00 C ATOM 819 CZ TYR A 52 3.536 0.185 0.570 1.00 0.00 C ATOM 820 OH TYR A 52 3.514 1.450 1.069 1.00 0.00 O ATOM 0 H TYR A 52 3.719 -6.367 -1.453 1.00 0.00 H new ATOM 0 HA TYR A 52 4.507 -4.608 0.824 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.407 -3.897 -1.749 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.671 -4.010 -1.540 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.632 -2.437 0.145 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.526 -2.082 -0.939 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.584 -0.083 1.072 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.492 0.273 -0.005 1.00 0.00 H new ATOM 0 HH TYR A 52 4.420 1.824 1.052 1.00 0.00 H new ATOM 830 N VAL A 53 1.620 -5.926 0.001 1.00 0.00 N ATOM 831 CA VAL A 53 0.308 -6.278 0.515 1.00 0.00 C ATOM 832 C VAL A 53 0.429 -7.516 1.406 1.00 0.00 C ATOM 833 O VAL A 53 -0.289 -8.496 1.214 1.00 0.00 O ATOM 834 CB VAL A 53 -0.673 -6.469 -0.643 1.00 0.00 C ATOM 835 CG1 VAL A 53 -0.483 -5.386 -1.708 1.00 0.00 C ATOM 836 CG2 VAL A 53 -0.538 -7.866 -1.252 1.00 0.00 C ATOM 0 H VAL A 53 1.822 -6.282 -0.933 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.090 -5.472 1.131 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.683 -6.373 -0.245 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.193 -5.545 -2.520 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.654 -4.405 -1.264 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.533 -5.435 -2.100 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.247 -7.975 -2.073 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.476 -8.003 -1.627 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.747 -8.617 -0.490 1.00 0.00 H new ATOM 846 N ASN A 54 1.343 -7.430 2.362 1.00 0.00 N ATOM 847 CA ASN A 54 1.567 -8.531 3.283 1.00 0.00 C ATOM 848 C ASN A 54 2.784 -8.219 4.157 1.00 0.00 C ATOM 849 O ASN A 54 3.629 -9.083 4.382 1.00 0.00 O ATOM 850 CB ASN A 54 1.849 -9.832 2.528 1.00 0.00 C ATOM 851 CG ASN A 54 1.168 -11.020 3.209 1.00 0.00 C ATOM 852 OD1 ASN A 54 -0.042 -11.076 3.354 1.00 0.00 O ATOM 853 ND2 ASN A 54 2.011 -11.965 3.619 1.00 0.00 N ATOM 0 H ASN A 54 1.936 -6.615 2.518 1.00 0.00 H new ATOM 0 HA ASN A 54 0.669 -8.652 3.888 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.494 -9.745 1.501 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.924 -10.003 2.480 1.00 0.00 H new ATOM 0 HD21 ASN A 54 1.654 -12.799 4.086 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.013 -11.855 3.466 1.00 0.00 H new ATOM 860 N SER A 55 2.832 -6.981 4.626 1.00 0.00 N ATOM 861 CA SER A 55 3.931 -6.544 5.472 1.00 0.00 C ATOM 862 C SER A 55 3.890 -5.023 5.637 1.00 0.00 C ATOM 863 O SER A 55 4.296 -4.497 6.671 1.00 0.00 O ATOM 864 CB SER A 55 5.278 -6.980 4.893 1.00 0.00 C ATOM 865 OG SER A 55 5.882 -8.012 5.667 1.00 0.00 O ATOM 0 H SER A 55 2.129 -6.267 4.437 1.00 0.00 H new ATOM 0 HA SER A 55 3.819 -7.012 6.450 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.137 -7.329 3.870 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.948 -6.122 4.847 1.00 0.00 H new ATOM 0 HG SER A 55 5.359 -8.836 5.579 1.00 0.00 H new ATOM 871 N LYS A 56 3.398 -4.360 4.601 1.00 0.00 N ATOM 872 CA LYS A 56 3.300 -2.911 4.618 1.00 0.00 C ATOM 873 C LYS A 56 1.826 -2.503 4.544 1.00 0.00 C ATOM 874 O LYS A 56 1.502 -1.319 4.618 1.00 0.00 O ATOM 875 CB LYS A 56 4.163 -2.302 3.511 1.00 0.00 C ATOM 876 CG LYS A 56 5.556 -2.933 3.493 1.00 0.00 C ATOM 877 CD LYS A 56 6.614 -1.941 3.980 1.00 0.00 C ATOM 878 CE LYS A 56 7.354 -2.485 5.203 1.00 0.00 C ATOM 879 NZ LYS A 56 8.729 -2.893 4.838 1.00 0.00 N ATOM 0 H LYS A 56 3.063 -4.800 3.744 1.00 0.00 H new ATOM 0 HA LYS A 56 3.695 -2.513 5.553 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.680 -2.450 2.545 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.249 -1.226 3.662 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.565 -3.820 4.126 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.798 -3.261 2.482 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.326 -1.741 3.179 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.140 -0.992 4.230 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.389 -1.724 5.982 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.812 -3.337 5.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.217 -3.260 5.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.689 -3.635 4.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.248 -2.072 4.467 1.00 0.00 H new ATOM 893 N VAL A 57 0.974 -3.506 4.399 1.00 0.00 N ATOM 894 CA VAL A 57 -0.456 -3.267 4.314 1.00 0.00 C ATOM 895 C VAL A 57 -1.091 -3.501 5.687 1.00 0.00 C ATOM 896 O VAL A 57 -2.188 -3.015 5.959 1.00 0.00 O ATOM 897 CB VAL A 57 -1.069 -4.139 3.217 1.00 0.00 C ATOM 898 CG1 VAL A 57 -2.520 -4.497 3.545 1.00 0.00 C ATOM 899 CG2 VAL A 57 -0.970 -3.454 1.852 1.00 0.00 C ATOM 0 H VAL A 57 1.247 -4.487 4.338 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.653 -2.232 4.036 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.498 -5.066 3.170 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.931 -5.117 2.748 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.556 -5.045 4.487 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.109 -3.584 3.634 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.413 -4.095 1.090 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.504 -2.504 1.882 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.078 -3.274 1.610 1.00 0.00 H new ATOM 909 N ASP A 58 -0.373 -4.245 6.516 1.00 0.00 N ATOM 910 CA ASP A 58 -0.852 -4.549 7.854 1.00 0.00 C ATOM 911 C ASP A 58 -0.630 -3.335 8.758 1.00 0.00 C ATOM 912 O ASP A 58 -1.518 -2.951 9.517 1.00 0.00 O ATOM 913 CB ASP A 58 -0.092 -5.733 8.454 1.00 0.00 C ATOM 914 CG ASP A 58 -0.958 -6.942 8.813 1.00 0.00 C ATOM 915 OD1 ASP A 58 -2.183 -6.741 8.959 1.00 0.00 O ATOM 916 OD2 ASP A 58 -0.375 -8.042 8.931 1.00 0.00 O ATOM 0 H ASP A 58 0.536 -4.646 6.287 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.911 -4.798 7.786 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.673 -6.051 7.746 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.425 -5.396 9.352 1.00 0.00 H new ATOM 922 N PRO A 59 0.593 -2.751 8.645 1.00 0.00 N ATOM 923 CA PRO A 59 0.944 -1.588 9.444 1.00 0.00 C ATOM 924 C PRO A 59 0.255 -0.331 8.913 1.00 0.00 C ATOM 925 O PRO A 59 -0.377 0.403 9.672 1.00 0.00 O ATOM 926 CB PRO A 59 2.460 -1.509 9.378 1.00 0.00 C ATOM 927 CG PRO A 59 2.869 -2.343 8.175 1.00 0.00 C ATOM 928 CD PRO A 59 1.671 -3.179 7.757 1.00 0.00 C ATOM 0 HA PRO A 59 0.608 -1.670 10.478 1.00 0.00 H new ATOM 0 HB2 PRO A 59 2.793 -0.477 9.269 1.00 0.00 H new ATOM 0 HB3 PRO A 59 2.911 -1.895 10.292 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.190 -1.699 7.356 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.714 -2.985 8.425 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.414 -3.008 6.712 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.874 -4.244 7.866 1.00 0.00 H new ATOM 936 N ILE A 60 0.401 -0.118 7.613 1.00 0.00 N ATOM 937 CA ILE A 60 -0.200 1.039 6.972 1.00 0.00 C ATOM 938 C ILE A 60 -1.659 1.162 7.414 1.00 0.00 C ATOM 939 O ILE A 60 -2.101 2.236 7.820 1.00 0.00 O ATOM 940 CB ILE A 60 -0.021 0.963 5.454 1.00 0.00 C ATOM 941 CG1 ILE A 60 1.435 1.218 5.060 1.00 0.00 C ATOM 942 CG2 ILE A 60 -0.984 1.915 4.741 1.00 0.00 C ATOM 943 CD1 ILE A 60 1.619 1.107 3.545 1.00 0.00 C ATOM 0 H ILE A 60 0.927 -0.727 6.987 1.00 0.00 H new ATOM 0 HA ILE A 60 0.305 1.953 7.284 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.269 -0.048 5.130 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.738 2.210 5.395 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.083 0.500 5.563 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.837 1.842 3.663 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.011 1.644 4.986 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.791 2.938 5.065 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.663 1.293 3.291 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.338 0.106 3.217 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.988 1.843 3.047 1.00 0.00 H new ATOM 955 N ILE A 61 -2.368 0.046 7.322 1.00 0.00 N ATOM 956 CA ILE A 61 -3.769 0.016 7.708 1.00 0.00 C ATOM 957 C ILE A 61 -3.884 0.255 9.215 1.00 0.00 C ATOM 958 O ILE A 61 -4.910 0.735 9.694 1.00 0.00 O ATOM 959 CB ILE A 61 -4.425 -1.284 7.241 1.00 0.00 C ATOM 960 CG1 ILE A 61 -4.284 -1.456 5.726 1.00 0.00 C ATOM 961 CG2 ILE A 61 -5.885 -1.355 7.692 1.00 0.00 C ATOM 962 CD1 ILE A 61 -4.836 -2.810 5.275 1.00 0.00 C ATOM 0 H ILE A 61 -1.999 -0.843 6.986 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.317 0.819 7.215 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.902 -2.118 7.710 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.815 -0.654 5.214 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.235 -1.374 5.443 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.327 -2.289 7.347 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.932 -1.312 8.780 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.437 -0.515 7.271 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.724 -2.907 4.195 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.286 -3.610 5.770 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.892 -2.878 5.538 1.00 0.00 H new ATOM 974 N HIS A 62 -2.817 -0.089 9.920 1.00 0.00 N ATOM 975 CA HIS A 62 -2.784 0.082 11.362 1.00 0.00 C ATOM 976 C HIS A 62 -2.644 1.568 11.700 1.00 0.00 C ATOM 977 O HIS A 62 -2.928 1.983 12.822 1.00 0.00 O ATOM 978 CB HIS A 62 -1.682 -0.774 11.987 1.00 0.00 C ATOM 979 CG HIS A 62 -0.376 -0.043 12.190 1.00 0.00 C ATOM 980 ND1 HIS A 62 0.840 -0.696 12.297 1.00 0.00 N ATOM 981 CD2 HIS A 62 -0.110 1.289 12.304 1.00 0.00 C ATOM 982 CE1 HIS A 62 1.788 0.213 12.467 1.00 0.00 C ATOM 983 NE2 HIS A 62 1.198 1.442 12.472 1.00 0.00 N ATOM 0 H HIS A 62 -1.967 -0.486 9.519 1.00 0.00 H new ATOM 0 HA HIS A 62 -3.722 -0.267 11.794 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.030 -1.149 12.949 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -1.506 -1.642 11.351 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -0.839 2.085 12.264 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.844 0.015 12.582 1.00 0.00 H new ATOM 0 HE2 HIS A 62 1.682 2.333 12.586 1.00 0.00 H new ATOM 992 N GLU A 63 -2.205 2.327 10.707 1.00 0.00 N ATOM 993 CA GLU A 63 -2.022 3.758 10.884 1.00 0.00 C ATOM 994 C GLU A 63 -3.357 4.488 10.720 1.00 0.00 C ATOM 995 O GLU A 63 -3.794 5.202 11.622 1.00 0.00 O ATOM 996 CB GLU A 63 -0.976 4.303 9.910 1.00 0.00 C ATOM 997 CG GLU A 63 0.106 5.091 10.650 1.00 0.00 C ATOM 998 CD GLU A 63 1.034 4.153 11.424 1.00 0.00 C ATOM 999 OE1 GLU A 63 1.584 3.237 10.775 1.00 0.00 O ATOM 1000 OE2 GLU A 63 1.173 4.374 12.646 1.00 0.00 O ATOM 0 H GLU A 63 -1.971 1.979 9.777 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.655 3.935 11.895 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.520 3.478 9.362 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.459 4.946 9.174 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.687 5.676 9.937 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.359 5.797 11.338 1.00 0.00 H new ATOM 1008 N LEU A 64 -3.969 4.283 9.563 1.00 0.00 N ATOM 1009 CA LEU A 64 -5.246 4.912 9.269 1.00 0.00 C ATOM 1010 C LEU A 64 -6.301 4.396 10.249 1.00 0.00 C ATOM 1011 O LEU A 64 -7.049 5.179 10.830 1.00 0.00 O ATOM 1012 CB LEU A 64 -5.617 4.707 7.799 1.00 0.00 C ATOM 1013 CG LEU A 64 -4.475 4.852 6.791 1.00 0.00 C ATOM 1014 CD1 LEU A 64 -4.480 3.699 5.786 1.00 0.00 C ATOM 1015 CD2 LEU A 64 -4.525 6.215 6.099 1.00 0.00 C ATOM 0 H LEU A 64 -3.604 3.690 8.818 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.182 5.991 9.410 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.047 3.712 7.689 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.397 5.422 7.539 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.532 4.801 7.335 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.658 3.827 5.081 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.360 2.754 6.316 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.425 3.693 5.244 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.703 6.292 5.388 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.473 6.320 5.571 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.435 7.005 6.845 1.00 0.00 H new ATOM 1027 N GLU A 65 -6.327 3.079 10.402 1.00 0.00 N ATOM 1028 CA GLU A 65 -7.278 2.449 11.301 1.00 0.00 C ATOM 1029 C GLU A 65 -7.061 2.941 12.734 1.00 0.00 C ATOM 1030 O GLU A 65 -7.994 2.966 13.533 1.00 0.00 O ATOM 1031 CB GLU A 65 -7.179 0.925 11.223 1.00 0.00 C ATOM 1032 CG GLU A 65 -6.031 0.405 12.089 1.00 0.00 C ATOM 1033 CD GLU A 65 -6.461 0.277 13.552 1.00 0.00 C ATOM 1034 OE1 GLU A 65 -7.526 -0.337 13.778 1.00 0.00 O ATOM 1035 OE2 GLU A 65 -5.716 0.797 14.410 1.00 0.00 O ATOM 0 H GLU A 65 -5.704 2.432 9.918 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.284 2.731 10.990 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.118 0.479 11.551 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -7.026 0.620 10.188 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.701 -0.565 11.717 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.179 1.081 12.015 1.00 0.00 H new ATOM 1043 N GLY A 66 -5.822 3.318 13.013 1.00 0.00 N ATOM 1044 CA GLY A 66 -5.469 3.807 14.335 1.00 0.00 C ATOM 1045 C GLY A 66 -5.957 5.242 14.537 1.00 0.00 C ATOM 1046 O GLY A 66 -6.474 5.583 15.600 1.00 0.00 O ATOM 0 H GLY A 66 -5.050 3.295 12.346 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.907 3.160 15.095 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.388 3.765 14.465 1.00 0.00 H new ATOM 1050 N GLY A 67 -5.777 6.047 13.500 1.00 0.00 N ATOM 1051 CA GLY A 67 -6.192 7.438 13.551 1.00 0.00 C ATOM 1052 C GLY A 67 -5.375 8.290 12.577 1.00 0.00 C ATOM 1053 O GLY A 67 -5.798 9.381 12.195 1.00 0.00 O ATOM 0 H GLY A 67 -5.349 5.762 12.619 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.251 7.514 13.306 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.071 7.821 14.564 1.00 0.00 H new ATOM 1057 N THR A 68 -4.219 7.760 12.203 1.00 0.00 N ATOM 1058 CA THR A 68 -3.340 8.458 11.281 1.00 0.00 C ATOM 1059 C THR A 68 -4.054 8.716 9.953 1.00 0.00 C ATOM 1060 O THR A 68 -5.101 8.128 9.683 1.00 0.00 O ATOM 1061 CB THR A 68 -2.060 7.633 11.133 1.00 0.00 C ATOM 1062 OG1 THR A 68 -1.337 7.895 12.332 1.00 0.00 O ATOM 1063 CG2 THR A 68 -1.147 8.161 10.025 1.00 0.00 C ATOM 0 H THR A 68 -3.871 6.856 12.522 1.00 0.00 H new ATOM 0 HA THR A 68 -3.068 9.442 11.663 1.00 0.00 H new ATOM 0 HB THR A 68 -2.320 6.595 10.925 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.375 7.830 12.155 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.254 7.540 9.963 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.676 8.132 9.073 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.859 9.188 10.249 1.00 0.00 H new ATOM 1071 N ALA A 69 -3.460 9.595 9.159 1.00 0.00 N ATOM 1072 CA ALA A 69 -4.026 9.937 7.866 1.00 0.00 C ATOM 1073 C ALA A 69 -3.317 9.132 6.774 1.00 0.00 C ATOM 1074 O ALA A 69 -2.257 8.556 7.012 1.00 0.00 O ATOM 1075 CB ALA A 69 -3.916 11.446 7.643 1.00 0.00 C ATOM 0 H ALA A 69 -2.592 10.080 9.387 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.084 9.679 7.830 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.341 11.702 6.672 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.461 11.970 8.428 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.867 11.742 7.670 1.00 0.00 H new ATOM 1081 N PRO A 70 -3.946 9.120 5.568 1.00 0.00 N ATOM 1082 CA PRO A 70 -3.386 8.398 4.439 1.00 0.00 C ATOM 1083 C PRO A 70 -2.191 9.147 3.846 1.00 0.00 C ATOM 1084 O PRO A 70 -1.613 8.712 2.851 1.00 0.00 O ATOM 1085 CB PRO A 70 -4.538 8.245 3.458 1.00 0.00 C ATOM 1086 CG PRO A 70 -5.570 9.287 3.864 1.00 0.00 C ATOM 1087 CD PRO A 70 -5.203 9.792 5.249 1.00 0.00 C ATOM 0 HA PRO A 70 -2.988 7.423 4.720 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.203 8.405 2.433 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -4.958 7.240 3.502 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.583 10.110 3.149 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -6.570 8.852 3.869 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.086 10.876 5.257 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.977 9.550 5.977 1.00 0.00 H new ATOM 1095 N LYS A 71 -1.857 10.260 4.483 1.00 0.00 N ATOM 1096 CA LYS A 71 -0.741 11.073 4.030 1.00 0.00 C ATOM 1097 C LYS A 71 0.275 11.214 5.166 1.00 0.00 C ATOM 1098 O LYS A 71 1.249 11.955 5.043 1.00 0.00 O ATOM 1099 CB LYS A 71 -1.242 12.412 3.483 1.00 0.00 C ATOM 1100 CG LYS A 71 -1.944 13.222 4.575 1.00 0.00 C ATOM 1101 CD LYS A 71 -0.945 14.090 5.342 1.00 0.00 C ATOM 1102 CE LYS A 71 -1.231 15.577 5.125 1.00 0.00 C ATOM 1103 NZ LYS A 71 -1.870 16.163 6.325 1.00 0.00 N ATOM 0 H LYS A 71 -2.339 10.617 5.308 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.227 10.588 3.200 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.403 12.983 3.084 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.930 12.237 2.656 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.711 13.854 4.128 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.450 12.547 5.265 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.997 13.857 6.406 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.069 13.859 5.015 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.302 16.104 4.907 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.882 15.706 4.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.057 17.173 6.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.766 15.671 6.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.236 16.057 7.143 1.00 0.00 H new ATOM 1117 N ASP A 72 0.012 10.492 6.245 1.00 0.00 N ATOM 1118 CA ASP A 72 0.891 10.528 7.401 1.00 0.00 C ATOM 1119 C ASP A 72 1.529 9.151 7.593 1.00 0.00 C ATOM 1120 O ASP A 72 2.508 9.013 8.325 1.00 0.00 O ATOM 1121 CB ASP A 72 0.114 10.870 8.674 1.00 0.00 C ATOM 1122 CG ASP A 72 0.004 12.365 8.982 1.00 0.00 C ATOM 1123 OD1 ASP A 72 0.331 13.157 8.072 1.00 0.00 O ATOM 1124 OD2 ASP A 72 -0.403 12.681 10.120 1.00 0.00 O ATOM 0 H ASP A 72 -0.797 9.879 6.343 1.00 0.00 H new ATOM 0 HA ASP A 72 1.649 11.292 7.225 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.891 10.457 8.590 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.593 10.375 9.518 1.00 0.00 H new ATOM 1130 N VAL A 73 0.949 8.166 6.924 1.00 0.00 N ATOM 1131 CA VAL A 73 1.448 6.804 7.011 1.00 0.00 C ATOM 1132 C VAL A 73 2.803 6.716 6.306 1.00 0.00 C ATOM 1133 O VAL A 73 3.758 6.170 6.855 1.00 0.00 O ATOM 1134 CB VAL A 73 0.414 5.829 6.444 1.00 0.00 C ATOM 1135 CG1 VAL A 73 0.584 4.435 7.052 1.00 0.00 C ATOM 1136 CG2 VAL A 73 -1.008 6.352 6.659 1.00 0.00 C ATOM 0 H VAL A 73 0.137 8.284 6.318 1.00 0.00 H new ATOM 0 HA VAL A 73 1.604 6.521 8.052 1.00 0.00 H new ATOM 0 HB VAL A 73 0.582 5.749 5.370 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.163 3.761 6.632 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.581 4.058 6.825 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.455 4.491 8.133 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.724 5.640 6.247 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.193 6.476 7.726 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.122 7.313 6.157 1.00 0.00 H new ATOM 1146 N CYS A 74 2.842 7.262 5.099 1.00 0.00 N ATOM 1147 CA CYS A 74 4.064 7.252 4.312 1.00 0.00 C ATOM 1148 C CYS A 74 4.911 8.456 4.725 1.00 0.00 C ATOM 1149 O CYS A 74 5.354 9.229 3.876 1.00 0.00 O ATOM 1150 CB CYS A 74 3.770 7.247 2.811 1.00 0.00 C ATOM 1151 SG CYS A 74 2.037 6.859 2.369 1.00 0.00 S ATOM 0 H CYS A 74 2.047 7.714 4.647 1.00 0.00 H new ATOM 0 HA CYS A 74 4.619 6.335 4.509 1.00 0.00 H new ATOM 0 HB2 CYS A 74 4.024 8.225 2.402 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.424 6.520 2.329 1.00 0.00 H new ATOM 1156 N THR A 75 5.111 8.580 6.030 1.00 0.00 N ATOM 1157 CA THR A 75 5.897 9.678 6.565 1.00 0.00 C ATOM 1158 C THR A 75 6.394 9.341 7.972 1.00 0.00 C ATOM 1159 O THR A 75 7.600 9.288 8.213 1.00 0.00 O ATOM 1160 CB THR A 75 5.041 10.944 6.510 1.00 0.00 C ATOM 1161 OG1 THR A 75 5.435 11.578 5.297 1.00 0.00 O ATOM 1162 CG2 THR A 75 5.416 11.953 7.598 1.00 0.00 C ATOM 0 H THR A 75 4.742 7.938 6.731 1.00 0.00 H new ATOM 0 HA THR A 75 6.794 9.849 5.969 1.00 0.00 H new ATOM 0 HB THR A 75 3.990 10.675 6.612 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.471 10.914 4.577 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.778 12.833 7.514 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.279 11.498 8.579 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.458 12.248 7.477 1.00 0.00 H new ATOM 1170 N LYS A 76 5.440 9.122 8.865 1.00 0.00 N ATOM 1171 CA LYS A 76 5.766 8.792 10.242 1.00 0.00 C ATOM 1172 C LYS A 76 6.425 7.411 10.290 1.00 0.00 C ATOM 1173 O LYS A 76 7.260 7.147 11.152 1.00 0.00 O ATOM 1174 CB LYS A 76 4.525 8.911 11.129 1.00 0.00 C ATOM 1175 CG LYS A 76 4.245 10.372 11.486 1.00 0.00 C ATOM 1176 CD LYS A 76 2.763 10.707 11.303 1.00 0.00 C ATOM 1177 CE LYS A 76 2.266 11.625 12.420 1.00 0.00 C ATOM 1178 NZ LYS A 76 1.038 11.074 13.036 1.00 0.00 N ATOM 0 H LYS A 76 4.441 9.167 8.662 1.00 0.00 H new ATOM 0 HA LYS A 76 6.487 9.504 10.643 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.663 8.487 10.614 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.668 8.331 12.041 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.539 10.561 12.518 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.850 11.026 10.858 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.612 11.189 10.337 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.177 9.788 11.295 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.041 11.738 13.178 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.065 12.619 12.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.714 11.710 13.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.295 10.989 12.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.241 10.136 13.436 1.00 0.00 H new ATOM 1192 N LEU A 77 6.025 6.567 9.349 1.00 0.00 N ATOM 1193 CA LEU A 77 6.566 5.221 9.272 1.00 0.00 C ATOM 1194 C LEU A 77 7.822 5.231 8.399 1.00 0.00 C ATOM 1195 O LEU A 77 8.281 4.179 7.954 1.00 0.00 O ATOM 1196 CB LEU A 77 5.494 4.239 8.797 1.00 0.00 C ATOM 1197 CG LEU A 77 4.237 4.146 9.666 1.00 0.00 C ATOM 1198 CD1 LEU A 77 4.530 3.410 10.975 1.00 0.00 C ATOM 1199 CD2 LEU A 77 3.635 5.532 9.909 1.00 0.00 C ATOM 0 H LEU A 77 5.333 6.790 8.634 1.00 0.00 H new ATOM 0 HA LEU A 77 6.867 4.874 10.260 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.194 4.520 7.787 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.941 3.247 8.732 1.00 0.00 H new ATOM 0 HG LEU A 77 3.491 3.561 9.128 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.621 3.357 11.574 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.878 2.401 10.755 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.300 3.947 11.530 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.743 5.438 10.529 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.365 6.162 10.417 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.367 5.985 8.954 1.00 0.00 H new ATOM 1211 N ASN A 78 8.342 6.428 8.176 1.00 0.00 N ATOM 1212 CA ASN A 78 9.535 6.588 7.364 1.00 0.00 C ATOM 1213 C ASN A 78 9.339 5.866 6.030 1.00 0.00 C ATOM 1214 O ASN A 78 10.310 5.511 5.363 1.00 0.00 O ATOM 1215 CB ASN A 78 10.757 5.981 8.055 1.00 0.00 C ATOM 1216 CG ASN A 78 11.961 6.921 7.967 1.00 0.00 C ATOM 1217 OD1 ASN A 78 12.343 7.575 8.923 1.00 0.00 O ATOM 1218 ND2 ASN A 78 12.536 6.953 6.767 1.00 0.00 N ATOM 0 H ASN A 78 7.958 7.298 8.544 1.00 0.00 H new ATOM 0 HA ASN A 78 9.699 7.655 7.213 1.00 0.00 H new ATOM 0 HB2 ASN A 78 10.525 5.779 9.101 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.003 5.025 7.593 1.00 0.00 H new ATOM 0 HD21 ASN A 78 13.347 7.551 6.606 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.166 6.380 6.009 1.00 0.00 H new ATOM 1225 N GLU A 79 8.076 5.669 5.680 1.00 0.00 N ATOM 1226 CA GLU A 79 7.740 4.995 4.437 1.00 0.00 C ATOM 1227 C GLU A 79 7.632 6.009 3.296 1.00 0.00 C ATOM 1228 O GLU A 79 6.725 5.924 2.470 1.00 0.00 O ATOM 1229 CB GLU A 79 6.445 4.192 4.582 1.00 0.00 C ATOM 1230 CG GLU A 79 6.627 2.763 4.067 1.00 0.00 C ATOM 1231 CD GLU A 79 5.405 2.311 3.265 1.00 0.00 C ATOM 1232 OE1 GLU A 79 4.299 2.345 3.847 1.00 0.00 O ATOM 1233 OE2 GLU A 79 5.605 1.940 2.088 1.00 0.00 O ATOM 0 H GLU A 79 7.273 5.964 6.236 1.00 0.00 H new ATOM 0 HA GLU A 79 8.539 4.293 4.199 1.00 0.00 H new ATOM 0 HB2 GLU A 79 6.142 4.170 5.629 1.00 0.00 H new ATOM 0 HB3 GLU A 79 5.644 4.683 4.029 1.00 0.00 H new ATOM 0 HG2 GLU A 79 7.518 2.709 3.441 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.786 2.087 4.907 1.00 0.00 H new