USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 550 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 18 THR OG1 : rot 68:sc= 0.26 USER MOD Set 1.2: A 67 MET CE :methyl -158:sc= -0.3 (180deg=-1.28) USER MOD Set 2.1: A 34 HIS : no HD1:sc= -2.65! C(o=-2.4!,f=-2.9!) USER MOD Set 2.2: A 36 TYR OH : rot 151:sc= 0.273 USER MOD Single : A 1 LEU N :NH3+ 148:sc= -0.311 (180deg=-1.49!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= 0.0744 USER MOD Single : A 13 HIS : no HD1:sc= -0.927 X(o=-0.93,f=-0.55) USER MOD Single : A 14 TYR OH : rot 90:sc=-0.00377 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -161:sc= -0.569 (180deg=-0.802) USER MOD Single : A 33 GLN : amide:sc=-0.00276 X(o=-0.0028,f=-0.0028) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -0.165 X(o=-0.16,f=-0.0096) USER MOD Single : A 48 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0121) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 59 TYR OH : rot 64:sc= 0.132 USER MOD Single : A 61 LYS NZ :NH3+ -137:sc= -0.367 (180deg=-1.88!) USER MOD Single : A 62 CYS SG : rot 132:sc= 0.962 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= -0.872 K(o=-0.87,f=-0.088) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 11.749 6.091 3.916 1.00 0.00 N ATOM 2 CA LEU A 1 10.302 6.300 3.940 1.00 0.00 C ATOM 3 C LEU A 1 9.569 5.223 3.191 1.00 0.00 C ATOM 4 O LEU A 1 10.089 4.634 2.244 1.00 0.00 O ATOM 5 CB LEU A 1 9.900 7.705 3.392 1.00 0.00 C ATOM 6 CG LEU A 1 10.121 8.014 1.883 1.00 0.00 C ATOM 7 CD1 LEU A 1 9.244 9.195 1.422 1.00 0.00 C ATOM 8 CD2 LEU A 1 11.598 8.246 1.521 1.00 0.00 C ATOM 0 H1 LEU A 1 12.233 7.011 3.926 1.00 0.00 H new ATOM 0 H2 LEU A 1 12.034 5.541 4.751 1.00 0.00 H new ATOM 0 H3 LEU A 1 12.011 5.572 3.054 1.00 0.00 H new ATOM 0 HA LEU A 1 10.006 6.251 4.988 1.00 0.00 H new ATOM 0 HB2 LEU A 1 8.842 7.852 3.607 1.00 0.00 H new ATOM 0 HB3 LEU A 1 10.449 8.452 3.965 1.00 0.00 H new ATOM 0 HG LEU A 1 9.811 7.120 1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 1 9.420 9.388 0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 1 8.193 8.950 1.576 1.00 0.00 H new ATOM 0 HD13 LEU A 1 9.498 10.084 2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 1 11.683 8.456 0.455 1.00 0.00 H new ATOM 0 HD22 LEU A 1 11.983 9.092 2.090 1.00 0.00 H new ATOM 0 HD23 LEU A 1 12.176 7.354 1.762 1.00 0.00 H new ATOM 22 N CYS A 2 8.275 5.001 3.578 1.00 0.00 N ATOM 23 CA CYS A 2 7.276 4.111 3.020 1.00 0.00 C ATOM 24 C CYS A 2 7.024 4.716 1.678 1.00 0.00 C ATOM 25 O CYS A 2 6.889 5.931 1.588 1.00 0.00 O ATOM 26 CB CYS A 2 5.996 4.008 3.904 1.00 0.00 C ATOM 27 SG CYS A 2 4.685 2.954 3.193 1.00 0.00 S ATOM 0 H CYS A 2 7.893 5.509 4.376 1.00 0.00 H new ATOM 0 HA CYS A 2 7.603 3.073 2.962 1.00 0.00 H new ATOM 0 HB2 CYS A 2 6.273 3.615 4.882 1.00 0.00 H new ATOM 0 HB3 CYS A 2 5.596 5.009 4.064 1.00 0.00 H new ATOM 32 N LEU A 3 6.990 3.897 0.609 1.00 0.00 N ATOM 33 CA LEU A 3 6.869 4.425 -0.724 1.00 0.00 C ATOM 34 C LEU A 3 5.496 4.187 -1.274 1.00 0.00 C ATOM 35 O LEU A 3 5.257 4.246 -2.480 1.00 0.00 O ATOM 36 CB LEU A 3 7.911 3.770 -1.635 1.00 0.00 C ATOM 37 CG LEU A 3 9.356 4.206 -1.296 1.00 0.00 C ATOM 38 CD1 LEU A 3 10.412 3.299 -1.950 1.00 0.00 C ATOM 39 CD2 LEU A 3 9.621 5.688 -1.630 1.00 0.00 C ATOM 0 H LEU A 3 7.045 2.880 0.662 1.00 0.00 H new ATOM 0 HA LEU A 3 7.040 5.501 -0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.833 2.686 -1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.693 4.024 -2.672 1.00 0.00 H new ATOM 0 HG LEU A 3 9.451 4.094 -0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 3 11.409 3.648 -1.681 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.279 2.275 -1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.297 3.330 -3.034 1.00 0.00 H new ATOM 0 HD21 LEU A 3 10.650 5.941 -1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.462 5.855 -2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.939 6.317 -1.059 1.00 0.00 H new ATOM 51 N VAL A 4 4.563 3.928 -0.348 1.00 0.00 N ATOM 52 CA VAL A 4 3.185 3.622 -0.615 1.00 0.00 C ATOM 53 C VAL A 4 2.304 4.626 0.041 1.00 0.00 C ATOM 54 O VAL A 4 1.544 5.295 -0.652 1.00 0.00 O ATOM 55 CB VAL A 4 2.802 2.188 -0.182 1.00 0.00 C ATOM 56 CG1 VAL A 4 1.379 1.804 -0.617 1.00 0.00 C ATOM 57 CG2 VAL A 4 3.881 1.191 -0.627 1.00 0.00 C ATOM 0 H VAL A 4 4.777 3.931 0.649 1.00 0.00 H new ATOM 0 HA VAL A 4 3.043 3.669 -1.695 1.00 0.00 H new ATOM 0 HB VAL A 4 2.771 2.152 0.907 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.160 0.788 -0.289 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.663 2.493 -0.169 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.303 1.858 -1.703 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.598 0.186 -0.315 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.978 1.221 -1.712 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.834 1.458 -0.170 1.00 0.00 H new ATOM 67 N CYS A 5 2.355 4.720 1.390 1.00 0.00 N ATOM 68 CA CYS A 5 1.533 5.656 2.134 1.00 0.00 C ATOM 69 C CYS A 5 2.429 6.744 2.642 1.00 0.00 C ATOM 70 O CYS A 5 2.055 7.461 3.561 1.00 0.00 O ATOM 71 CB CYS A 5 0.631 5.070 3.269 1.00 0.00 C ATOM 72 SG CYS A 5 1.444 4.345 4.746 1.00 0.00 S ATOM 0 H CYS A 5 2.966 4.148 1.973 1.00 0.00 H new ATOM 0 HA CYS A 5 0.787 6.029 1.433 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.030 5.866 3.612 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -0.000 4.300 2.826 1.00 0.00 H new ATOM 77 N SER A 6 3.635 6.886 2.033 1.00 0.00 N ATOM 78 CA SER A 6 4.561 8.009 2.204 1.00 0.00 C ATOM 79 C SER A 6 4.752 8.524 3.616 1.00 0.00 C ATOM 80 O SER A 6 4.555 9.700 3.918 1.00 0.00 O ATOM 81 CB SER A 6 4.260 9.137 1.198 1.00 0.00 C ATOM 82 OG SER A 6 3.775 8.632 -0.040 1.00 0.00 O ATOM 0 H SER A 6 3.993 6.185 1.384 1.00 0.00 H new ATOM 0 HA SER A 6 5.538 7.583 1.977 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.523 9.817 1.626 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.166 9.718 1.023 1.00 0.00 H new ATOM 0 HG SER A 6 3.595 9.378 -0.649 1.00 0.00 H new ATOM 88 N ASP A 7 5.116 7.577 4.501 1.00 0.00 N ATOM 89 CA ASP A 7 5.222 7.745 5.932 1.00 0.00 C ATOM 90 C ASP A 7 6.615 7.280 6.265 1.00 0.00 C ATOM 91 O ASP A 7 7.323 6.821 5.384 1.00 0.00 O ATOM 92 CB ASP A 7 4.136 6.819 6.559 1.00 0.00 C ATOM 93 CG ASP A 7 3.965 6.894 8.085 1.00 0.00 C ATOM 94 OD1 ASP A 7 3.681 8.009 8.599 1.00 0.00 O ATOM 95 OD2 ASP A 7 4.126 5.836 8.748 1.00 0.00 O ATOM 0 H ASP A 7 5.353 6.630 4.204 1.00 0.00 H new ATOM 0 HA ASP A 7 5.068 8.760 6.298 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.178 7.056 6.097 1.00 0.00 H new ATOM 0 HB3 ASP A 7 4.372 5.789 6.293 1.00 0.00 H new ATOM 100 N GLU A 8 7.038 7.338 7.554 1.00 0.00 N ATOM 101 CA GLU A 8 8.334 6.888 8.037 1.00 0.00 C ATOM 102 C GLU A 8 8.392 5.371 7.959 1.00 0.00 C ATOM 103 O GLU A 8 7.612 4.697 8.632 1.00 0.00 O ATOM 104 CB GLU A 8 8.718 7.407 9.455 1.00 0.00 C ATOM 105 CG GLU A 8 7.917 8.622 9.996 1.00 0.00 C ATOM 106 CD GLU A 8 8.177 9.916 9.209 1.00 0.00 C ATOM 107 OE1 GLU A 8 9.346 10.386 9.201 1.00 0.00 O ATOM 108 OE2 GLU A 8 7.203 10.449 8.612 1.00 0.00 O ATOM 0 H GLU A 8 6.452 7.716 8.298 1.00 0.00 H new ATOM 0 HA GLU A 8 9.087 7.329 7.383 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.604 6.584 10.160 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.775 7.674 9.444 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.852 8.391 9.962 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.175 8.783 11.043 1.00 0.00 H new ATOM 115 N ALA A 9 9.305 4.802 7.121 1.00 0.00 N ATOM 116 CA ALA A 9 9.415 3.366 6.922 1.00 0.00 C ATOM 117 C ALA A 9 10.335 2.755 7.933 1.00 0.00 C ATOM 118 O ALA A 9 11.256 3.394 8.440 1.00 0.00 O ATOM 119 CB ALA A 9 9.890 2.935 5.521 1.00 0.00 C ATOM 0 H ALA A 9 9.975 5.344 6.575 1.00 0.00 H new ATOM 0 HA ALA A 9 8.393 3.004 7.039 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.940 1.847 5.472 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.189 3.300 4.771 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.878 3.352 5.327 1.00 0.00 H new ATOM 125 N SER A 10 10.056 1.464 8.230 1.00 0.00 N ATOM 126 CA SER A 10 10.787 0.659 9.171 1.00 0.00 C ATOM 127 C SER A 10 10.288 -0.755 8.981 1.00 0.00 C ATOM 128 O SER A 10 10.040 -1.478 9.946 1.00 0.00 O ATOM 129 CB SER A 10 10.650 1.128 10.650 1.00 0.00 C ATOM 130 OG SER A 10 9.293 1.322 11.039 1.00 0.00 O ATOM 0 H SER A 10 9.285 0.960 7.793 1.00 0.00 H new ATOM 0 HA SER A 10 11.856 0.745 8.976 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.110 0.389 11.306 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.200 2.060 10.784 1.00 0.00 H new ATOM 0 HG SER A 10 9.259 1.614 11.974 1.00 0.00 H new ATOM 136 N GLY A 11 10.134 -1.185 7.705 1.00 0.00 N ATOM 137 CA GLY A 11 9.667 -2.516 7.410 1.00 0.00 C ATOM 138 C GLY A 11 9.611 -2.690 5.929 1.00 0.00 C ATOM 139 O GLY A 11 8.541 -2.905 5.362 1.00 0.00 O ATOM 0 H GLY A 11 10.332 -0.615 6.883 1.00 0.00 H new ATOM 0 HA2 GLY A 11 10.334 -3.256 7.852 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.681 -2.675 7.846 1.00 0.00 H new ATOM 143 N CYS A 12 10.796 -2.627 5.266 1.00 0.00 N ATOM 144 CA CYS A 12 10.977 -2.798 3.833 1.00 0.00 C ATOM 145 C CYS A 12 10.972 -4.283 3.565 1.00 0.00 C ATOM 146 O CYS A 12 11.670 -5.025 4.258 1.00 0.00 O ATOM 147 CB CYS A 12 12.279 -2.125 3.316 1.00 0.00 C ATOM 148 SG CYS A 12 13.805 -2.489 4.269 1.00 0.00 S ATOM 0 H CYS A 12 11.675 -2.448 5.751 1.00 0.00 H new ATOM 0 HA CYS A 12 10.169 -2.305 3.293 1.00 0.00 H new ATOM 0 HB2 CYS A 12 12.438 -2.432 2.282 1.00 0.00 H new ATOM 0 HB3 CYS A 12 12.128 -1.046 3.308 1.00 0.00 H new ATOM 0 HG CYS A 12 14.812 -1.868 3.730 1.00 0.00 H new ATOM 154 N HIS A 13 10.147 -4.764 2.594 1.00 0.00 N ATOM 155 CA HIS A 13 10.013 -6.190 2.397 1.00 0.00 C ATOM 156 C HIS A 13 9.153 -6.323 1.191 1.00 0.00 C ATOM 157 O HIS A 13 8.404 -5.409 0.848 1.00 0.00 O ATOM 158 CB HIS A 13 9.352 -6.947 3.591 1.00 0.00 C ATOM 159 CG HIS A 13 9.374 -8.457 3.559 1.00 0.00 C ATOM 160 ND1 HIS A 13 10.480 -9.162 3.108 1.00 0.00 N ATOM 161 CD2 HIS A 13 8.449 -9.313 4.069 1.00 0.00 C ATOM 162 CE1 HIS A 13 10.187 -10.428 3.336 1.00 0.00 C ATOM 163 NE2 HIS A 13 8.970 -10.576 3.918 1.00 0.00 N ATOM 0 H HIS A 13 9.590 -4.185 1.965 1.00 0.00 H new ATOM 0 HA HIS A 13 11.002 -6.638 2.299 1.00 0.00 H new ATOM 0 HB2 HIS A 13 9.844 -6.623 4.508 1.00 0.00 H new ATOM 0 HB3 HIS A 13 8.312 -6.627 3.657 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.496 -9.053 4.505 1.00 0.00 H new ATOM 0 HE1 HIS A 13 10.840 -11.252 3.088 1.00 0.00 H new ATOM 0 HE2 HIS A 13 8.528 -11.454 4.190 1.00 0.00 H new ATOM 171 N TYR A 14 9.269 -7.495 0.511 1.00 0.00 N ATOM 172 CA TYR A 14 8.589 -7.855 -0.716 1.00 0.00 C ATOM 173 C TYR A 14 9.506 -7.297 -1.763 1.00 0.00 C ATOM 174 O TYR A 14 10.671 -7.693 -1.803 1.00 0.00 O ATOM 175 CB TYR A 14 7.057 -7.541 -0.784 1.00 0.00 C ATOM 176 CG TYR A 14 6.371 -8.197 0.415 1.00 0.00 C ATOM 177 CD1 TYR A 14 6.618 -9.533 0.807 1.00 0.00 C ATOM 178 CD2 TYR A 14 5.488 -7.460 1.206 1.00 0.00 C ATOM 179 CE1 TYR A 14 6.127 -10.053 2.008 1.00 0.00 C ATOM 180 CE2 TYR A 14 4.981 -7.973 2.402 1.00 0.00 C ATOM 181 CZ TYR A 14 5.316 -9.263 2.823 1.00 0.00 C ATOM 182 OH TYR A 14 4.831 -9.777 4.046 1.00 0.00 O ATOM 0 H TYR A 14 9.880 -8.242 0.842 1.00 0.00 H new ATOM 0 HA TYR A 14 8.455 -8.928 -0.854 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.891 -6.464 -0.772 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.634 -7.919 -1.715 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.203 -10.170 0.160 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.191 -6.472 0.886 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.374 -11.062 2.304 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.324 -7.367 3.008 1.00 0.00 H new ATOM 0 HH TYR A 14 5.469 -9.574 4.762 1.00 0.00 H new ATOM 192 N GLY A 15 9.045 -6.334 -2.582 1.00 0.00 N ATOM 193 CA GLY A 15 9.872 -5.729 -3.600 1.00 0.00 C ATOM 194 C GLY A 15 10.341 -4.330 -3.289 1.00 0.00 C ATOM 195 O GLY A 15 11.244 -3.861 -3.982 1.00 0.00 O ATOM 0 H GLY A 15 8.094 -5.967 -2.544 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.745 -6.362 -3.762 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.314 -5.710 -4.536 1.00 0.00 H new ATOM 199 N VAL A 16 9.774 -3.608 -2.271 1.00 0.00 N ATOM 200 CA VAL A 16 10.032 -2.172 -2.161 1.00 0.00 C ATOM 201 C VAL A 16 10.096 -1.807 -0.705 1.00 0.00 C ATOM 202 O VAL A 16 9.663 -2.562 0.165 1.00 0.00 O ATOM 203 CB VAL A 16 8.937 -1.321 -2.895 1.00 0.00 C ATOM 204 CG1 VAL A 16 9.162 0.194 -2.994 1.00 0.00 C ATOM 205 CG2 VAL A 16 8.658 -1.804 -4.326 1.00 0.00 C ATOM 0 H VAL A 16 9.163 -3.996 -1.552 1.00 0.00 H new ATOM 0 HA VAL A 16 10.981 -1.948 -2.647 1.00 0.00 H new ATOM 0 HB VAL A 16 8.095 -1.487 -2.223 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.328 0.652 -3.525 1.00 0.00 H new ATOM 0 HG12 VAL A 16 9.231 0.618 -1.992 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.088 0.390 -3.535 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.892 -1.175 -4.779 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.573 -1.743 -4.915 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.311 -2.837 -4.300 1.00 0.00 H new ATOM 215 N LEU A 17 10.563 -0.553 -0.446 1.00 0.00 N ATOM 216 CA LEU A 17 10.657 0.110 0.840 1.00 0.00 C ATOM 217 C LEU A 17 9.242 0.438 1.268 1.00 0.00 C ATOM 218 O LEU A 17 8.471 0.983 0.480 1.00 0.00 O ATOM 219 CB LEU A 17 11.538 1.390 0.823 1.00 0.00 C ATOM 220 CG LEU A 17 12.588 1.443 1.961 1.00 0.00 C ATOM 221 CD1 LEU A 17 13.783 0.513 1.680 1.00 0.00 C ATOM 222 CD2 LEU A 17 13.067 2.874 2.262 1.00 0.00 C ATOM 0 H LEU A 17 10.902 0.044 -1.200 1.00 0.00 H new ATOM 0 HA LEU A 17 11.152 -0.558 1.545 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.052 1.453 -0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 17 10.892 2.265 0.896 1.00 0.00 H new ATOM 0 HG LEU A 17 12.080 1.081 2.855 1.00 0.00 H new ATOM 0 HD11 LEU A 17 14.497 0.579 2.501 1.00 0.00 H new ATOM 0 HD12 LEU A 17 13.431 -0.514 1.587 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.269 0.815 0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 17 13.801 2.850 3.067 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.522 3.301 1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.217 3.486 2.564 1.00 0.00 H new ATOM 234 N THR A 18 8.869 0.095 2.516 1.00 0.00 N ATOM 235 CA THR A 18 7.518 0.289 2.995 1.00 0.00 C ATOM 236 C THR A 18 7.615 0.459 4.464 1.00 0.00 C ATOM 237 O THR A 18 8.670 0.249 5.058 1.00 0.00 O ATOM 238 CB THR A 18 6.575 -0.939 2.736 1.00 0.00 C ATOM 239 OG1 THR A 18 7.310 -2.155 2.618 1.00 0.00 O ATOM 240 CG2 THR A 18 5.698 -0.765 1.502 1.00 0.00 C ATOM 0 H THR A 18 9.500 -0.319 3.202 1.00 0.00 H new ATOM 0 HA THR A 18 7.093 1.143 2.468 1.00 0.00 H new ATOM 0 HB THR A 18 5.926 -0.991 3.610 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.699 -2.388 3.487 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.069 -1.646 1.376 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.068 0.116 1.625 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.329 -0.640 0.622 1.00 0.00 H new ATOM 248 N CYS A 19 6.455 0.811 5.088 1.00 0.00 N ATOM 249 CA CYS A 19 6.344 1.000 6.515 1.00 0.00 C ATOM 250 C CYS A 19 6.136 -0.366 7.140 1.00 0.00 C ATOM 251 O CYS A 19 6.287 -1.399 6.486 1.00 0.00 O ATOM 252 CB CYS A 19 5.304 2.056 7.004 1.00 0.00 C ATOM 253 SG CYS A 19 3.536 1.792 6.595 1.00 0.00 S ATOM 0 H CYS A 19 5.580 0.966 4.587 1.00 0.00 H new ATOM 0 HA CYS A 19 7.275 1.455 6.852 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.387 2.126 8.089 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.598 3.024 6.598 1.00 0.00 H new ATOM 258 N GLY A 20 5.747 -0.395 8.434 1.00 0.00 N ATOM 259 CA GLY A 20 5.478 -1.617 9.166 1.00 0.00 C ATOM 260 C GLY A 20 4.159 -2.203 8.736 1.00 0.00 C ATOM 261 O GLY A 20 4.045 -3.407 8.518 1.00 0.00 O ATOM 0 H GLY A 20 5.614 0.449 8.991 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.278 -2.337 8.992 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.461 -1.412 10.236 1.00 0.00 H new ATOM 265 N SER A 21 3.151 -1.315 8.547 1.00 0.00 N ATOM 266 CA SER A 21 1.781 -1.637 8.200 1.00 0.00 C ATOM 267 C SER A 21 1.582 -2.082 6.764 1.00 0.00 C ATOM 268 O SER A 21 0.757 -2.962 6.537 1.00 0.00 O ATOM 269 CB SER A 21 0.827 -0.460 8.509 1.00 0.00 C ATOM 270 OG SER A 21 -0.537 -0.865 8.588 1.00 0.00 O ATOM 0 H SER A 21 3.299 -0.310 8.642 1.00 0.00 H new ATOM 0 HA SER A 21 1.537 -2.493 8.830 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.120 0.002 9.452 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.932 0.300 7.735 1.00 0.00 H new ATOM 0 HG SER A 21 -1.098 -0.087 8.786 1.00 0.00 H new ATOM 276 N CYS A 22 2.321 -1.500 5.764 1.00 0.00 N ATOM 277 CA CYS A 22 2.131 -1.754 4.332 1.00 0.00 C ATOM 278 C CYS A 22 2.548 -3.133 3.918 1.00 0.00 C ATOM 279 O CYS A 22 2.075 -3.660 2.915 1.00 0.00 O ATOM 280 CB CYS A 22 2.657 -0.692 3.349 1.00 0.00 C ATOM 281 SG CYS A 22 1.626 0.804 3.465 1.00 0.00 S ATOM 0 H CYS A 22 3.071 -0.835 5.955 1.00 0.00 H new ATOM 0 HA CYS A 22 1.048 -1.672 4.243 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.695 -0.450 3.579 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.638 -1.082 2.331 1.00 0.00 H new ATOM 286 N LYS A 23 3.392 -3.762 4.764 1.00 0.00 N ATOM 287 CA LYS A 23 3.864 -5.118 4.672 1.00 0.00 C ATOM 288 C LYS A 23 2.693 -6.059 4.887 1.00 0.00 C ATOM 289 O LYS A 23 2.337 -6.866 4.032 1.00 0.00 O ATOM 290 CB LYS A 23 4.993 -5.388 5.696 1.00 0.00 C ATOM 291 CG LYS A 23 5.708 -6.748 5.574 1.00 0.00 C ATOM 292 CD LYS A 23 6.646 -7.061 6.756 1.00 0.00 C ATOM 293 CE LYS A 23 7.757 -6.021 6.977 1.00 0.00 C ATOM 294 NZ LYS A 23 8.614 -6.401 8.097 1.00 0.00 N ATOM 0 H LYS A 23 3.775 -3.283 5.579 1.00 0.00 H new ATOM 0 HA LYS A 23 4.287 -5.287 3.682 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.739 -4.599 5.601 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.573 -5.310 6.699 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.960 -7.537 5.496 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.285 -6.764 4.649 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.051 -7.138 7.666 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.105 -8.036 6.592 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.356 -5.926 6.072 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.313 -5.044 7.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.356 -5.683 8.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.043 -6.468 8.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.054 -7.322 7.900 1.00 0.00 H new ATOM 308 N VAL A 24 2.037 -5.894 6.054 1.00 0.00 N ATOM 309 CA VAL A 24 0.923 -6.673 6.569 1.00 0.00 C ATOM 310 C VAL A 24 -0.326 -6.503 5.750 1.00 0.00 C ATOM 311 O VAL A 24 -1.087 -7.442 5.540 1.00 0.00 O ATOM 312 CB VAL A 24 0.641 -6.328 8.065 1.00 0.00 C ATOM 313 CG1 VAL A 24 -0.425 -7.222 8.731 1.00 0.00 C ATOM 314 CG2 VAL A 24 1.933 -6.308 8.908 1.00 0.00 C ATOM 0 H VAL A 24 2.303 -5.152 6.701 1.00 0.00 H new ATOM 0 HA VAL A 24 1.218 -7.720 6.498 1.00 0.00 H new ATOM 0 HB VAL A 24 0.223 -5.322 8.040 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.560 -6.916 9.768 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.370 -7.121 8.197 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.099 -8.262 8.699 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.689 -6.064 9.942 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.408 -7.288 8.869 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.616 -5.558 8.509 1.00 0.00 H new ATOM 324 N PHE A 25 -0.513 -5.265 5.254 1.00 0.00 N ATOM 325 CA PHE A 25 -1.576 -4.775 4.412 1.00 0.00 C ATOM 326 C PHE A 25 -1.599 -5.543 3.125 1.00 0.00 C ATOM 327 O PHE A 25 -2.585 -6.192 2.799 1.00 0.00 O ATOM 328 CB PHE A 25 -1.302 -3.281 4.110 1.00 0.00 C ATOM 329 CG PHE A 25 -2.234 -2.602 3.136 1.00 0.00 C ATOM 330 CD1 PHE A 25 -3.636 -2.705 3.206 1.00 0.00 C ATOM 331 CD2 PHE A 25 -1.654 -1.905 2.064 1.00 0.00 C ATOM 332 CE1 PHE A 25 -4.436 -2.134 2.207 1.00 0.00 C ATOM 333 CE2 PHE A 25 -2.447 -1.343 1.068 1.00 0.00 C ATOM 334 CZ PHE A 25 -3.840 -1.457 1.135 1.00 0.00 C ATOM 0 H PHE A 25 0.154 -4.523 5.465 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.536 -4.895 4.914 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.336 -2.732 5.051 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.286 -3.193 3.726 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.097 -3.226 4.032 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.580 -1.804 2.012 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.511 -2.216 2.264 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.987 -0.819 0.243 1.00 0.00 H new ATOM 0 HZ PHE A 25 -4.455 -1.023 0.361 1.00 0.00 H new ATOM 344 N PHE A 26 -0.448 -5.476 2.423 1.00 0.00 N ATOM 345 CA PHE A 26 -0.160 -6.026 1.120 1.00 0.00 C ATOM 346 C PHE A 26 -0.173 -7.540 1.124 1.00 0.00 C ATOM 347 O PHE A 26 -0.666 -8.167 0.203 1.00 0.00 O ATOM 348 CB PHE A 26 1.182 -5.451 0.599 1.00 0.00 C ATOM 349 CG PHE A 26 1.541 -5.855 -0.807 1.00 0.00 C ATOM 350 CD1 PHE A 26 0.720 -5.523 -1.900 1.00 0.00 C ATOM 351 CD2 PHE A 26 2.742 -6.532 -1.045 1.00 0.00 C ATOM 352 CE1 PHE A 26 1.101 -5.864 -3.204 1.00 0.00 C ATOM 353 CE2 PHE A 26 3.132 -6.860 -2.342 1.00 0.00 C ATOM 354 CZ PHE A 26 2.306 -6.547 -3.424 1.00 0.00 C ATOM 0 H PHE A 26 0.363 -4.988 2.805 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.952 -5.727 0.434 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.138 -4.363 0.649 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.981 -5.769 1.268 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.211 -5.001 -1.732 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.375 -6.804 -0.213 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.468 -5.601 -4.039 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.076 -7.358 -2.511 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.594 -6.830 -4.426 1.00 0.00 H new ATOM 364 N LYS A 27 0.337 -8.160 2.200 1.00 0.00 N ATOM 365 CA LYS A 27 0.439 -9.598 2.428 1.00 0.00 C ATOM 366 C LYS A 27 -0.932 -10.239 2.548 1.00 0.00 C ATOM 367 O LYS A 27 -1.158 -11.341 2.051 1.00 0.00 O ATOM 368 CB LYS A 27 1.397 -9.872 3.615 1.00 0.00 C ATOM 369 CG LYS A 27 1.520 -11.289 4.224 1.00 0.00 C ATOM 370 CD LYS A 27 2.198 -12.397 3.401 1.00 0.00 C ATOM 371 CE LYS A 27 1.300 -13.051 2.340 1.00 0.00 C ATOM 372 NZ LYS A 27 1.900 -14.277 1.817 1.00 0.00 N ATOM 0 H LYS A 27 0.713 -7.627 2.984 1.00 0.00 H new ATOM 0 HA LYS A 27 0.886 -10.084 1.561 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.395 -9.573 3.296 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.106 -9.201 4.423 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.064 -11.197 5.164 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.514 -11.630 4.470 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.075 -11.979 2.907 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.554 -13.170 4.082 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.326 -13.277 2.774 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.130 -12.350 1.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.458 -14.519 0.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.921 -14.132 1.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.749 -15.053 2.492 1.00 0.00 H new ATOM 386 N ARG A 28 -1.896 -9.521 3.174 1.00 0.00 N ATOM 387 CA ARG A 28 -3.269 -9.962 3.338 1.00 0.00 C ATOM 388 C ARG A 28 -4.070 -9.606 2.119 1.00 0.00 C ATOM 389 O ARG A 28 -4.923 -10.374 1.688 1.00 0.00 O ATOM 390 CB ARG A 28 -3.934 -9.340 4.590 1.00 0.00 C ATOM 391 CG ARG A 28 -3.836 -10.178 5.883 1.00 0.00 C ATOM 392 CD ARG A 28 -2.417 -10.566 6.357 1.00 0.00 C ATOM 393 NE ARG A 28 -1.901 -11.783 5.624 1.00 0.00 N ATOM 394 CZ ARG A 28 -2.374 -13.049 5.856 1.00 0.00 C ATOM 395 NH1 ARG A 28 -2.984 -13.383 7.031 1.00 0.00 N ATOM 396 NH2 ARG A 28 -2.218 -14.004 4.891 1.00 0.00 N ATOM 0 H ARG A 28 -1.719 -8.603 3.581 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.249 -11.044 3.471 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.480 -8.366 4.774 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.987 -9.165 4.371 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.322 -9.623 6.685 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.408 -11.094 5.738 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.737 -9.729 6.198 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.432 -10.765 7.429 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.168 -11.657 4.926 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.097 -12.683 7.764 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.326 -14.333 7.176 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.755 -13.771 4.013 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.565 -14.950 5.049 1.00 0.00 H new ATOM 410 N ALA A 29 -3.770 -8.437 1.517 1.00 0.00 N ATOM 411 CA ALA A 29 -4.456 -7.850 0.383 1.00 0.00 C ATOM 412 C ALA A 29 -4.228 -8.592 -0.910 1.00 0.00 C ATOM 413 O ALA A 29 -5.065 -8.554 -1.811 1.00 0.00 O ATOM 414 CB ALA A 29 -4.124 -6.361 0.213 1.00 0.00 C ATOM 0 H ALA A 29 -2.996 -7.856 1.839 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.517 -7.942 0.617 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.661 -5.965 -0.649 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.424 -5.817 1.109 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.052 -6.243 0.058 1.00 0.00 H new ATOM 420 N VAL A 30 -3.074 -9.296 -0.999 1.00 0.00 N ATOM 421 CA VAL A 30 -2.624 -10.055 -2.143 1.00 0.00 C ATOM 422 C VAL A 30 -3.123 -11.465 -1.993 1.00 0.00 C ATOM 423 O VAL A 30 -3.859 -11.965 -2.843 1.00 0.00 O ATOM 424 CB VAL A 30 -1.072 -10.008 -2.301 1.00 0.00 C ATOM 425 CG1 VAL A 30 -0.529 -10.976 -3.365 1.00 0.00 C ATOM 426 CG2 VAL A 30 -0.552 -8.589 -2.608 1.00 0.00 C ATOM 0 H VAL A 30 -2.413 -9.338 -0.223 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.029 -9.614 -3.054 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.698 -10.329 -1.329 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.556 -10.887 -3.418 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.797 -11.998 -3.097 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.961 -10.730 -4.335 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.533 -8.613 -2.708 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.995 -8.233 -3.538 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.827 -7.917 -1.795 1.00 0.00 H new ATOM 436 N GLU A 31 -2.703 -12.126 -0.890 1.00 0.00 N ATOM 437 CA GLU A 31 -3.046 -13.496 -0.559 1.00 0.00 C ATOM 438 C GLU A 31 -4.187 -13.465 0.417 1.00 0.00 C ATOM 439 O GLU A 31 -4.105 -13.911 1.562 1.00 0.00 O ATOM 440 CB GLU A 31 -1.866 -14.364 -0.058 1.00 0.00 C ATOM 441 CG GLU A 31 -0.910 -14.766 -1.208 1.00 0.00 C ATOM 442 CD GLU A 31 0.007 -15.935 -0.823 1.00 0.00 C ATOM 443 OE1 GLU A 31 -0.531 -17.015 -0.458 1.00 0.00 O ATOM 444 OE2 GLU A 31 1.253 -15.775 -0.913 1.00 0.00 O ATOM 0 H GLU A 31 -2.097 -11.691 -0.194 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.342 -13.996 -1.481 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.309 -13.815 0.701 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.255 -15.263 0.421 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.496 -15.041 -2.085 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.301 -13.907 -1.488 1.00 0.00 H new ATOM 451 N GLY A 32 -5.308 -12.938 -0.106 1.00 0.00 N ATOM 452 CA GLY A 32 -6.583 -12.849 0.550 1.00 0.00 C ATOM 453 C GLY A 32 -7.559 -12.538 -0.535 1.00 0.00 C ATOM 454 O GLY A 32 -7.394 -12.983 -1.671 1.00 0.00 O ATOM 0 H GLY A 32 -5.328 -12.548 -1.048 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.835 -13.784 1.050 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.580 -12.070 1.313 1.00 0.00 H new ATOM 458 N GLN A 33 -8.610 -11.754 -0.200 1.00 0.00 N ATOM 459 CA GLN A 33 -9.658 -11.380 -1.115 1.00 0.00 C ATOM 460 C GLN A 33 -10.071 -9.974 -0.762 1.00 0.00 C ATOM 461 O GLN A 33 -11.219 -9.702 -0.414 1.00 0.00 O ATOM 462 CB GLN A 33 -10.839 -12.394 -1.133 1.00 0.00 C ATOM 463 CG GLN A 33 -11.206 -13.117 0.193 1.00 0.00 C ATOM 464 CD GLN A 33 -11.944 -12.221 1.199 1.00 0.00 C ATOM 465 OE1 GLN A 33 -13.143 -11.959 1.039 1.00 0.00 O ATOM 466 NE2 GLN A 33 -11.204 -11.743 2.246 1.00 0.00 N ATOM 0 H GLN A 33 -8.735 -11.368 0.736 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.293 -11.406 -2.142 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -11.727 -11.865 -1.481 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.611 -13.158 -1.877 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.829 -13.982 -0.035 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.294 -13.494 0.656 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.218 -11.991 2.329 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -11.638 -11.139 2.943 1.00 0.00 H new ATOM 475 N HIS A 34 -9.109 -9.020 -0.884 1.00 0.00 N ATOM 476 CA HIS A 34 -9.308 -7.611 -0.600 1.00 0.00 C ATOM 477 C HIS A 34 -9.718 -6.969 -1.898 1.00 0.00 C ATOM 478 O HIS A 34 -8.975 -7.013 -2.879 1.00 0.00 O ATOM 479 CB HIS A 34 -8.054 -6.914 -0.041 1.00 0.00 C ATOM 480 CG HIS A 34 -7.741 -7.387 1.354 1.00 0.00 C ATOM 481 ND1 HIS A 34 -7.621 -6.509 2.418 1.00 0.00 N ATOM 482 CD2 HIS A 34 -7.528 -8.661 1.772 1.00 0.00 C ATOM 483 CE1 HIS A 34 -7.349 -7.276 3.457 1.00 0.00 C ATOM 484 NE2 HIS A 34 -7.284 -8.589 3.121 1.00 0.00 N ATOM 0 H HIS A 34 -8.160 -9.235 -1.191 1.00 0.00 H new ATOM 0 HA HIS A 34 -10.066 -7.509 0.176 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -7.204 -7.112 -0.694 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -8.207 -5.835 -0.036 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -7.547 -9.554 1.164 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -7.196 -6.902 4.459 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -7.091 -9.370 3.748 1.00 0.00 H new ATOM 492 N ASN A 35 -10.937 -6.374 -1.918 1.00 0.00 N ATOM 493 CA ASN A 35 -11.537 -5.791 -3.099 1.00 0.00 C ATOM 494 C ASN A 35 -11.802 -4.337 -2.819 1.00 0.00 C ATOM 495 O ASN A 35 -12.861 -3.964 -2.314 1.00 0.00 O ATOM 496 CB ASN A 35 -12.869 -6.485 -3.499 1.00 0.00 C ATOM 497 CG ASN A 35 -12.626 -7.952 -3.903 1.00 0.00 C ATOM 498 OD1 ASN A 35 -11.961 -8.218 -4.911 1.00 0.00 O ATOM 499 ND2 ASN A 35 -13.180 -8.907 -3.095 1.00 0.00 N ATOM 0 H ASN A 35 -11.525 -6.295 -1.088 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.846 -5.922 -3.931 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.569 -6.445 -2.665 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.329 -5.947 -4.328 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.053 -9.895 -3.313 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -13.720 -8.631 -2.275 1.00 0.00 H new ATOM 506 N TYR A 36 -10.811 -3.482 -3.165 1.00 0.00 N ATOM 507 CA TYR A 36 -10.881 -2.044 -3.063 1.00 0.00 C ATOM 508 C TYR A 36 -10.073 -1.560 -4.233 1.00 0.00 C ATOM 509 O TYR A 36 -8.865 -1.791 -4.292 1.00 0.00 O ATOM 510 CB TYR A 36 -10.394 -1.374 -1.740 1.00 0.00 C ATOM 511 CG TYR A 36 -10.308 -2.281 -0.538 1.00 0.00 C ATOM 512 CD1 TYR A 36 -11.449 -2.491 0.256 1.00 0.00 C ATOM 513 CD2 TYR A 36 -9.080 -2.840 -0.124 1.00 0.00 C ATOM 514 CE1 TYR A 36 -11.373 -3.236 1.437 1.00 0.00 C ATOM 515 CE2 TYR A 36 -8.998 -3.558 1.074 1.00 0.00 C ATOM 516 CZ TYR A 36 -10.145 -3.763 1.854 1.00 0.00 C ATOM 517 OH TYR A 36 -10.064 -4.487 3.064 1.00 0.00 O ATOM 0 H TYR A 36 -9.918 -3.808 -3.534 1.00 0.00 H new ATOM 0 HA TYR A 36 -11.933 -1.757 -3.061 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -9.410 -0.940 -1.916 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -11.067 -0.550 -1.503 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -12.396 -2.072 -0.050 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -8.199 -2.713 -0.735 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -12.262 -3.405 2.027 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -8.048 -3.956 1.399 1.00 0.00 H new ATOM 0 HH TYR A 36 -9.346 -5.151 3.001 1.00 0.00 H new ATOM 527 N LEU A 37 -10.742 -0.868 -5.192 1.00 0.00 N ATOM 528 CA LEU A 37 -10.132 -0.305 -6.386 1.00 0.00 C ATOM 529 C LEU A 37 -10.558 1.136 -6.483 1.00 0.00 C ATOM 530 O LEU A 37 -10.526 1.756 -7.546 1.00 0.00 O ATOM 531 CB LEU A 37 -10.516 -1.059 -7.684 1.00 0.00 C ATOM 532 CG LEU A 37 -10.125 -2.558 -7.715 1.00 0.00 C ATOM 533 CD1 LEU A 37 -10.774 -3.272 -8.917 1.00 0.00 C ATOM 534 CD2 LEU A 37 -8.600 -2.778 -7.688 1.00 0.00 C ATOM 0 H LEU A 37 -11.745 -0.692 -5.138 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.050 -0.400 -6.294 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.593 -0.978 -7.827 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -10.043 -0.559 -8.529 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.515 -3.004 -6.800 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.484 -4.323 -8.916 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.859 -3.195 -8.844 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.439 -2.804 -9.843 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.386 -3.847 -7.711 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.148 -2.298 -8.556 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.186 -2.345 -6.777 1.00 0.00 H new ATOM 546 N CYS A 38 -10.965 1.678 -5.313 1.00 0.00 N ATOM 547 CA CYS A 38 -11.384 3.018 -5.000 1.00 0.00 C ATOM 548 C CYS A 38 -12.838 3.173 -5.368 1.00 0.00 C ATOM 549 O CYS A 38 -13.244 3.024 -6.521 1.00 0.00 O ATOM 550 CB CYS A 38 -10.416 4.146 -5.467 1.00 0.00 C ATOM 551 SG CYS A 38 -10.668 5.732 -4.604 1.00 0.00 S ATOM 0 H CYS A 38 -11.003 1.094 -4.478 1.00 0.00 H new ATOM 0 HA CYS A 38 -11.311 3.166 -3.923 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -9.388 3.818 -5.312 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -10.543 4.301 -6.538 1.00 0.00 H new ATOM 556 N ALA A 39 -13.643 3.503 -4.327 1.00 0.00 N ATOM 557 CA ALA A 39 -15.072 3.705 -4.345 1.00 0.00 C ATOM 558 C ALA A 39 -15.413 5.075 -4.868 1.00 0.00 C ATOM 559 O ALA A 39 -16.573 5.381 -5.146 1.00 0.00 O ATOM 560 CB ALA A 39 -15.658 3.585 -2.932 1.00 0.00 C ATOM 0 H ALA A 39 -13.258 3.640 -3.392 1.00 0.00 H new ATOM 0 HA ALA A 39 -15.495 2.938 -4.994 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -16.736 3.741 -2.971 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -15.449 2.592 -2.535 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -15.206 4.337 -2.285 1.00 0.00 H new ATOM 566 N GLY A 40 -14.363 5.916 -5.015 1.00 0.00 N ATOM 567 CA GLY A 40 -14.431 7.264 -5.537 1.00 0.00 C ATOM 568 C GLY A 40 -14.250 7.170 -7.024 1.00 0.00 C ATOM 569 O GLY A 40 -15.183 6.819 -7.746 1.00 0.00 O ATOM 0 H GLY A 40 -13.414 5.644 -4.757 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -15.389 7.724 -5.294 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.656 7.889 -5.093 1.00 0.00 H new ATOM 573 N ARG A 41 -13.018 7.456 -7.503 1.00 0.00 N ATOM 574 CA ARG A 41 -12.665 7.404 -8.904 1.00 0.00 C ATOM 575 C ARG A 41 -11.443 6.539 -9.001 1.00 0.00 C ATOM 576 O ARG A 41 -11.454 5.460 -9.593 1.00 0.00 O ATOM 577 CB ARG A 41 -12.345 8.793 -9.515 1.00 0.00 C ATOM 578 CG ARG A 41 -13.557 9.714 -9.754 1.00 0.00 C ATOM 579 CD ARG A 41 -14.490 9.225 -10.882 1.00 0.00 C ATOM 580 NE ARG A 41 -15.360 10.354 -11.393 1.00 0.00 N ATOM 581 CZ ARG A 41 -14.878 11.364 -12.190 1.00 0.00 C ATOM 582 NH1 ARG A 41 -13.718 11.233 -12.899 1.00 0.00 N ATOM 583 NH2 ARG A 41 -15.590 12.526 -12.293 1.00 0.00 N ATOM 0 H ARG A 41 -12.242 7.732 -6.901 1.00 0.00 H new ATOM 0 HA ARG A 41 -13.516 7.015 -9.463 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.646 9.307 -8.855 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.834 8.642 -10.466 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -14.129 9.795 -8.830 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -13.200 10.715 -9.997 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.895 8.820 -11.701 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -15.119 8.415 -10.513 1.00 0.00 H new ATOM 0 HE ARG A 41 -16.347 10.365 -11.134 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -13.183 10.366 -12.846 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -13.387 12.002 -13.482 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -16.466 12.634 -11.782 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -15.245 13.285 -12.881 1.00 0.00 H new ATOM 597 N ASN A 42 -10.361 7.089 -8.414 1.00 0.00 N ATOM 598 CA ASN A 42 -8.977 6.681 -8.361 1.00 0.00 C ATOM 599 C ASN A 42 -8.338 7.997 -8.738 1.00 0.00 C ATOM 600 O ASN A 42 -7.739 8.152 -9.801 1.00 0.00 O ATOM 601 CB ASN A 42 -8.524 5.472 -9.247 1.00 0.00 C ATOM 602 CG ASN A 42 -7.018 5.142 -9.170 1.00 0.00 C ATOM 603 OD1 ASN A 42 -6.314 5.185 -10.185 1.00 0.00 O ATOM 604 ND2 ASN A 42 -6.547 4.842 -7.930 1.00 0.00 N ATOM 0 H ASN A 42 -10.478 7.959 -7.894 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.699 6.250 -7.399 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.091 4.590 -8.950 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.783 5.683 -10.285 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.557 4.635 -7.797 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.184 4.824 -7.133 1.00 0.00 H new ATOM 611 N ASP A 43 -8.497 8.986 -7.831 1.00 0.00 N ATOM 612 CA ASP A 43 -8.028 10.342 -7.955 1.00 0.00 C ATOM 613 C ASP A 43 -7.094 10.632 -6.838 1.00 0.00 C ATOM 614 O ASP A 43 -5.995 11.146 -7.045 1.00 0.00 O ATOM 615 CB ASP A 43 -9.137 11.451 -7.875 1.00 0.00 C ATOM 616 CG ASP A 43 -10.456 11.197 -7.095 1.00 0.00 C ATOM 617 OD1 ASP A 43 -10.612 10.156 -6.404 1.00 0.00 O ATOM 618 OD2 ASP A 43 -11.340 12.090 -7.198 1.00 0.00 O ATOM 0 H ASP A 43 -8.987 8.828 -6.950 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.579 10.387 -8.947 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.674 12.338 -7.442 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.413 11.703 -8.899 1.00 0.00 H new ATOM 623 N CYS A 44 -7.573 10.334 -5.611 1.00 0.00 N ATOM 624 CA CYS A 44 -6.980 10.666 -4.354 1.00 0.00 C ATOM 625 C CYS A 44 -5.578 10.153 -4.139 1.00 0.00 C ATOM 626 O CYS A 44 -5.220 9.048 -4.542 1.00 0.00 O ATOM 627 CB CYS A 44 -7.879 10.269 -3.136 1.00 0.00 C ATOM 628 SG CYS A 44 -9.139 8.959 -3.405 1.00 0.00 S ATOM 0 H CYS A 44 -8.446 9.819 -5.495 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.901 11.752 -4.408 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.225 9.946 -2.326 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -8.394 11.166 -2.791 1.00 0.00 H new ATOM 633 N ILE A 45 -4.763 11.005 -3.465 1.00 0.00 N ATOM 634 CA ILE A 45 -3.385 10.749 -3.109 1.00 0.00 C ATOM 635 C ILE A 45 -3.468 10.088 -1.765 1.00 0.00 C ATOM 636 O ILE A 45 -4.324 10.420 -0.948 1.00 0.00 O ATOM 637 CB ILE A 45 -2.513 12.041 -3.052 1.00 0.00 C ATOM 638 CG1 ILE A 45 -2.531 12.811 -4.398 1.00 0.00 C ATOM 639 CG2 ILE A 45 -1.058 11.808 -2.571 1.00 0.00 C ATOM 640 CD1 ILE A 45 -1.959 12.043 -5.601 1.00 0.00 C ATOM 0 H ILE A 45 -5.083 11.921 -3.152 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.893 10.131 -3.860 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.985 12.660 -2.289 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.560 13.092 -4.623 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.967 13.736 -4.276 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.522 12.757 -2.561 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.070 11.387 -1.566 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.557 11.116 -3.248 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.017 12.668 -6.492 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.918 11.785 -5.406 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.536 11.132 -5.758 1.00 0.00 H new ATOM 652 N ILE A 46 -2.558 9.117 -1.547 1.00 0.00 N ATOM 653 CA ILE A 46 -2.462 8.315 -0.360 1.00 0.00 C ATOM 654 C ILE A 46 -1.112 8.645 0.192 1.00 0.00 C ATOM 655 O ILE A 46 -0.084 8.453 -0.459 1.00 0.00 O ATOM 656 CB ILE A 46 -2.707 6.806 -0.701 1.00 0.00 C ATOM 657 CG1 ILE A 46 -4.090 6.308 -0.237 1.00 0.00 C ATOM 658 CG2 ILE A 46 -1.646 5.775 -0.271 1.00 0.00 C ATOM 659 CD1 ILE A 46 -5.274 7.197 -0.591 1.00 0.00 C ATOM 0 H ILE A 46 -1.848 8.878 -2.239 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.221 8.521 0.395 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.636 6.845 -1.788 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.261 5.321 -0.666 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.065 6.185 0.846 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.961 4.778 -0.579 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.693 6.016 -0.742 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.532 5.801 0.813 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.192 6.747 -0.215 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.140 8.179 -0.138 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.339 7.302 -1.674 1.00 0.00 H new ATOM 671 N ASP A 47 -1.121 9.173 1.432 1.00 0.00 N ATOM 672 CA ASP A 47 0.068 9.490 2.169 1.00 0.00 C ATOM 673 C ASP A 47 -0.320 9.289 3.611 1.00 0.00 C ATOM 674 O ASP A 47 -1.396 8.770 3.891 1.00 0.00 O ATOM 675 CB ASP A 47 0.777 10.825 1.810 1.00 0.00 C ATOM 676 CG ASP A 47 -0.071 12.089 2.013 1.00 0.00 C ATOM 677 OD1 ASP A 47 -0.273 12.495 3.189 1.00 0.00 O ATOM 678 OD2 ASP A 47 -0.520 12.665 0.987 1.00 0.00 O ATOM 0 H ASP A 47 -1.981 9.386 1.938 1.00 0.00 H new ATOM 0 HA ASP A 47 0.891 8.831 1.892 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.681 10.912 2.413 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.093 10.782 0.768 1.00 0.00 H new ATOM 683 N LYS A 48 0.552 9.710 4.564 1.00 0.00 N ATOM 684 CA LYS A 48 0.428 9.511 6.001 1.00 0.00 C ATOM 685 C LYS A 48 -0.712 10.231 6.692 1.00 0.00 C ATOM 686 O LYS A 48 -0.914 10.078 7.895 1.00 0.00 O ATOM 687 CB LYS A 48 1.743 9.807 6.746 1.00 0.00 C ATOM 688 CG LYS A 48 2.435 11.139 6.405 1.00 0.00 C ATOM 689 CD LYS A 48 3.578 11.479 7.383 1.00 0.00 C ATOM 690 CE LYS A 48 4.426 12.698 6.983 1.00 0.00 C ATOM 691 NZ LYS A 48 5.230 12.435 5.790 1.00 0.00 N ATOM 0 H LYS A 48 1.399 10.223 4.320 1.00 0.00 H new ATOM 0 HA LYS A 48 0.182 8.451 6.063 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.541 9.791 7.817 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.442 8.996 6.542 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.832 11.089 5.391 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.698 11.942 6.420 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.152 11.658 8.370 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.232 10.612 7.471 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.772 13.551 6.799 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.082 12.971 7.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.849 13.249 5.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.811 11.586 5.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.602 12.283 4.975 1.00 0.00 H new ATOM 705 N ILE A 49 -1.488 11.011 5.919 1.00 0.00 N ATOM 706 CA ILE A 49 -2.630 11.765 6.365 1.00 0.00 C ATOM 707 C ILE A 49 -3.819 11.305 5.568 1.00 0.00 C ATOM 708 O ILE A 49 -4.884 11.025 6.117 1.00 0.00 O ATOM 709 CB ILE A 49 -2.385 13.301 6.197 1.00 0.00 C ATOM 710 CG1 ILE A 49 -1.334 13.847 7.199 1.00 0.00 C ATOM 711 CG2 ILE A 49 -3.666 14.167 6.181 1.00 0.00 C ATOM 712 CD1 ILE A 49 -1.730 13.769 8.683 1.00 0.00 C ATOM 0 H ILE A 49 -1.311 11.125 4.921 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.808 11.595 7.427 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.970 13.395 5.194 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.404 13.295 7.060 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.127 14.888 6.950 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.395 15.216 6.061 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.303 13.859 5.352 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.205 14.037 7.120 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.926 14.176 9.296 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.640 14.346 8.848 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.905 12.729 8.959 1.00 0.00 H new ATOM 724 N ARG A 50 -3.639 11.258 4.232 1.00 0.00 N ATOM 725 CA ARG A 50 -4.670 11.023 3.240 1.00 0.00 C ATOM 726 C ARG A 50 -5.024 9.571 3.035 1.00 0.00 C ATOM 727 O ARG A 50 -5.882 9.253 2.215 1.00 0.00 O ATOM 728 CB ARG A 50 -4.297 11.644 1.878 1.00 0.00 C ATOM 729 CG ARG A 50 -3.855 13.120 1.967 1.00 0.00 C ATOM 730 CD ARG A 50 -3.624 13.784 0.592 1.00 0.00 C ATOM 731 NE ARG A 50 -4.931 14.011 -0.136 1.00 0.00 N ATOM 732 CZ ARG A 50 -5.826 14.987 0.230 1.00 0.00 C ATOM 733 NH1 ARG A 50 -5.447 16.068 0.974 1.00 0.00 N ATOM 734 NH2 ARG A 50 -7.126 14.880 -0.175 1.00 0.00 N ATOM 0 H ARG A 50 -2.720 11.391 3.811 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.553 11.512 3.651 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -3.493 11.060 1.431 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.154 11.571 1.209 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -4.613 13.685 2.510 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.935 13.180 2.548 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.111 14.736 0.727 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.973 13.154 -0.014 1.00 0.00 H new ATOM 0 HE ARG A 50 -5.157 13.414 -0.932 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.477 16.166 1.273 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.134 16.777 1.231 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -7.420 14.084 -0.741 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -7.803 15.596 0.088 1.00 0.00 H new ATOM 748 N ARG A 51 -4.421 8.659 3.837 1.00 0.00 N ATOM 749 CA ARG A 51 -4.640 7.216 3.757 1.00 0.00 C ATOM 750 C ARG A 51 -5.977 6.776 4.326 1.00 0.00 C ATOM 751 O ARG A 51 -6.355 5.611 4.207 1.00 0.00 O ATOM 752 CB ARG A 51 -3.499 6.324 4.310 1.00 0.00 C ATOM 753 CG ARG A 51 -3.340 6.179 5.840 1.00 0.00 C ATOM 754 CD ARG A 51 -2.963 7.470 6.584 1.00 0.00 C ATOM 755 NE ARG A 51 -2.748 7.181 8.052 1.00 0.00 N ATOM 756 CZ ARG A 51 -1.653 6.501 8.527 1.00 0.00 C ATOM 757 NH1 ARG A 51 -0.482 6.436 7.827 1.00 0.00 N ATOM 758 NH2 ARG A 51 -1.739 5.877 9.738 1.00 0.00 N ATOM 0 H ARG A 51 -3.759 8.923 4.567 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.647 7.049 2.680 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.632 5.324 3.896 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.559 6.710 3.916 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.276 5.801 6.252 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.577 5.427 6.040 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.057 7.896 6.153 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.752 8.212 6.463 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.447 7.505 8.720 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.402 6.901 6.923 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.312 5.922 8.209 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.606 5.921 10.274 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.936 5.367 10.107 1.00 0.00 H new ATOM 772 N LYS A 52 -6.708 7.722 4.973 1.00 0.00 N ATOM 773 CA LYS A 52 -7.971 7.533 5.640 1.00 0.00 C ATOM 774 C LYS A 52 -9.068 8.110 4.778 1.00 0.00 C ATOM 775 O LYS A 52 -10.072 8.630 5.265 1.00 0.00 O ATOM 776 CB LYS A 52 -7.971 8.196 7.035 1.00 0.00 C ATOM 777 CG LYS A 52 -6.931 7.623 8.028 1.00 0.00 C ATOM 778 CD LYS A 52 -7.402 6.407 8.856 1.00 0.00 C ATOM 779 CE LYS A 52 -7.794 5.164 8.041 1.00 0.00 C ATOM 780 NZ LYS A 52 -8.100 4.034 8.919 1.00 0.00 N ATOM 0 H LYS A 52 -6.388 8.689 5.031 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.141 6.467 5.788 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.787 9.263 6.914 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.964 8.091 7.471 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.040 7.337 7.469 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.635 8.416 8.715 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.606 6.130 9.548 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.258 6.710 9.459 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.660 5.391 7.420 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.980 4.895 7.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.362 3.208 8.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.264 3.805 9.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.892 4.285 9.544 1.00 0.00 H new ATOM 794 N ASN A 53 -8.877 7.983 3.446 1.00 0.00 N ATOM 795 CA ASN A 53 -9.783 8.371 2.396 1.00 0.00 C ATOM 796 C ASN A 53 -10.289 7.070 1.829 1.00 0.00 C ATOM 797 O ASN A 53 -11.474 6.937 1.524 1.00 0.00 O ATOM 798 CB ASN A 53 -9.134 9.182 1.238 1.00 0.00 C ATOM 799 CG ASN A 53 -8.702 10.595 1.676 1.00 0.00 C ATOM 800 OD1 ASN A 53 -8.954 11.038 2.802 1.00 0.00 O ATOM 801 ND2 ASN A 53 -8.021 11.314 0.730 1.00 0.00 N ATOM 0 H ASN A 53 -8.019 7.576 3.074 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.545 9.027 2.816 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.266 8.641 0.862 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -9.842 9.262 0.413 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -7.698 12.258 0.942 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.837 10.905 -0.186 1.00 0.00 H new ATOM 808 N CYS A 54 -9.370 6.081 1.681 1.00 0.00 N ATOM 809 CA CYS A 54 -9.650 4.782 1.113 1.00 0.00 C ATOM 810 C CYS A 54 -8.440 3.910 1.436 1.00 0.00 C ATOM 811 O CYS A 54 -7.326 4.436 1.477 1.00 0.00 O ATOM 812 CB CYS A 54 -9.900 4.802 -0.437 1.00 0.00 C ATOM 813 SG CYS A 54 -8.676 5.837 -1.326 1.00 0.00 S ATOM 0 H CYS A 54 -8.397 6.190 1.967 1.00 0.00 H new ATOM 0 HA CYS A 54 -10.577 4.401 1.541 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -9.859 3.783 -0.822 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -10.903 5.178 -0.636 1.00 0.00 H new ATOM 818 N PRO A 55 -8.610 2.579 1.601 1.00 0.00 N ATOM 819 CA PRO A 55 -7.505 1.623 1.650 1.00 0.00 C ATOM 820 C PRO A 55 -7.322 0.987 0.271 1.00 0.00 C ATOM 821 O PRO A 55 -6.948 -0.184 0.185 1.00 0.00 O ATOM 822 CB PRO A 55 -8.007 0.611 2.671 1.00 0.00 C ATOM 823 CG PRO A 55 -9.519 0.534 2.407 1.00 0.00 C ATOM 824 CD PRO A 55 -9.888 1.954 1.951 1.00 0.00 C ATOM 0 HA PRO A 55 -6.538 2.050 1.915 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.529 -0.360 2.539 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.796 0.934 3.690 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.754 -0.205 1.641 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.067 0.248 3.305 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.564 1.932 1.097 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.394 2.505 2.744 1.00 0.00 H new ATOM 832 N ALA A 56 -7.600 1.724 -0.840 1.00 0.00 N ATOM 833 CA ALA A 56 -7.757 1.204 -2.171 1.00 0.00 C ATOM 834 C ALA A 56 -6.665 1.700 -3.047 1.00 0.00 C ATOM 835 O ALA A 56 -5.946 0.898 -3.639 1.00 0.00 O ATOM 836 CB ALA A 56 -9.089 1.597 -2.793 1.00 0.00 C ATOM 0 H ALA A 56 -7.720 2.736 -0.799 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.722 0.118 -2.088 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.159 1.180 -3.798 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.904 1.210 -2.182 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.160 2.683 -2.846 1.00 0.00 H new ATOM 842 N CYS A 57 -6.489 3.050 -3.120 1.00 0.00 N ATOM 843 CA CYS A 57 -5.415 3.731 -3.802 1.00 0.00 C ATOM 844 C CYS A 57 -4.053 3.285 -3.333 1.00 0.00 C ATOM 845 O CYS A 57 -3.134 3.198 -4.137 1.00 0.00 O ATOM 846 CB CYS A 57 -5.513 5.266 -3.672 1.00 0.00 C ATOM 847 SG CYS A 57 -6.882 6.047 -4.617 1.00 0.00 S ATOM 0 H CYS A 57 -7.138 3.699 -2.675 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.530 3.457 -4.851 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -5.631 5.518 -2.618 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.570 5.703 -4.001 1.00 0.00 H new ATOM 852 N ARG A 58 -3.952 2.916 -2.034 1.00 0.00 N ATOM 853 CA ARG A 58 -2.784 2.371 -1.370 1.00 0.00 C ATOM 854 C ARG A 58 -2.348 1.044 -1.944 1.00 0.00 C ATOM 855 O ARG A 58 -1.154 0.791 -2.075 1.00 0.00 O ATOM 856 CB ARG A 58 -2.914 2.069 0.147 1.00 0.00 C ATOM 857 CG ARG A 58 -3.711 3.074 0.986 1.00 0.00 C ATOM 858 CD ARG A 58 -3.450 3.038 2.511 1.00 0.00 C ATOM 859 NE ARG A 58 -3.268 1.633 3.045 1.00 0.00 N ATOM 860 CZ ARG A 58 -3.221 1.385 4.392 1.00 0.00 C ATOM 861 NH1 ARG A 58 -3.813 2.215 5.302 1.00 0.00 N ATOM 862 NH2 ARG A 58 -2.569 0.270 4.838 1.00 0.00 N ATOM 0 H ARG A 58 -4.744 3.004 -1.397 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.081 3.188 -1.533 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.378 1.089 0.260 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.910 1.997 0.566 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.490 4.078 0.623 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.773 2.900 0.814 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.559 3.625 2.736 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.284 3.513 3.028 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.179 0.856 2.390 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.309 3.048 4.985 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.759 2.001 6.298 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.127 -0.363 4.172 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.525 0.071 5.837 1.00 0.00 H new ATOM 876 N TYR A 59 -3.337 0.161 -2.282 1.00 0.00 N ATOM 877 CA TYR A 59 -3.138 -1.189 -2.804 1.00 0.00 C ATOM 878 C TYR A 59 -2.642 -1.081 -4.226 1.00 0.00 C ATOM 879 O TYR A 59 -1.823 -1.878 -4.681 1.00 0.00 O ATOM 880 CB TYR A 59 -4.437 -2.038 -2.724 1.00 0.00 C ATOM 881 CG TYR A 59 -4.308 -3.490 -3.191 1.00 0.00 C ATOM 882 CD1 TYR A 59 -3.398 -4.404 -2.609 1.00 0.00 C ATOM 883 CD2 TYR A 59 -5.144 -3.955 -4.225 1.00 0.00 C ATOM 884 CE1 TYR A 59 -3.328 -5.736 -3.056 1.00 0.00 C ATOM 885 CE2 TYR A 59 -5.072 -5.280 -4.673 1.00 0.00 C ATOM 886 CZ TYR A 59 -4.159 -6.167 -4.098 1.00 0.00 C ATOM 887 OH TYR A 59 -4.084 -7.499 -4.563 1.00 0.00 O ATOM 0 H TYR A 59 -4.324 0.399 -2.187 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.399 -1.705 -2.192 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.787 -2.037 -1.692 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.206 -1.550 -3.322 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.749 -4.075 -1.811 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.852 -3.278 -4.680 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.635 -6.425 -2.597 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.724 -5.617 -5.465 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.358 -8.111 -3.848 1.00 0.00 H new ATOM 897 N ARG A 60 -3.076 -0.003 -4.919 1.00 0.00 N ATOM 898 CA ARG A 60 -2.694 0.315 -6.271 1.00 0.00 C ATOM 899 C ARG A 60 -1.316 0.935 -6.312 1.00 0.00 C ATOM 900 O ARG A 60 -0.554 0.688 -7.243 1.00 0.00 O ATOM 901 CB ARG A 60 -3.752 1.149 -7.019 1.00 0.00 C ATOM 902 CG ARG A 60 -5.118 0.425 -7.071 1.00 0.00 C ATOM 903 CD ARG A 60 -6.265 1.194 -7.760 1.00 0.00 C ATOM 904 NE ARG A 60 -6.339 0.900 -9.241 1.00 0.00 N ATOM 905 CZ ARG A 60 -5.467 1.409 -10.170 1.00 0.00 C ATOM 906 NH1 ARG A 60 -4.740 2.540 -9.938 1.00 0.00 N ATOM 907 NH2 ARG A 60 -5.346 0.778 -11.376 1.00 0.00 N ATOM 0 H ARG A 60 -3.722 0.678 -4.519 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.642 -0.626 -6.819 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.870 2.114 -6.526 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.407 1.349 -8.033 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.984 -0.526 -7.587 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -5.424 0.194 -6.051 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -7.212 0.928 -7.291 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -6.124 2.264 -7.610 1.00 0.00 H new ATOM 0 HE ARG A 60 -7.083 0.285 -9.570 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -4.836 3.035 -9.051 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.101 2.891 -10.651 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.899 -0.056 -11.573 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.703 1.141 -12.079 1.00 0.00 H new ATOM 921 N LYS A 61 -0.970 1.724 -5.254 1.00 0.00 N ATOM 922 CA LYS A 61 0.236 2.509 -5.115 1.00 0.00 C ATOM 923 C LYS A 61 1.471 1.689 -4.874 1.00 0.00 C ATOM 924 O LYS A 61 2.513 1.961 -5.465 1.00 0.00 O ATOM 925 CB LYS A 61 0.071 3.667 -4.108 1.00 0.00 C ATOM 926 CG LYS A 61 1.150 4.757 -4.235 1.00 0.00 C ATOM 927 CD LYS A 61 0.738 6.151 -3.722 1.00 0.00 C ATOM 928 CE LYS A 61 -0.332 6.842 -4.587 1.00 0.00 C ATOM 929 NZ LYS A 61 -0.607 8.198 -4.114 1.00 0.00 N ATOM 0 H LYS A 61 -1.580 1.816 -4.441 1.00 0.00 H new ATOM 0 HA LYS A 61 0.398 2.970 -6.090 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.910 4.121 -4.248 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.093 3.263 -3.096 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.036 4.434 -3.689 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.435 4.843 -5.283 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.362 6.056 -2.703 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.622 6.787 -3.678 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.003 6.878 -5.624 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.251 6.256 -4.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.633 8.367 -4.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.247 8.307 -3.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.137 8.885 -4.738 1.00 0.00 H new ATOM 943 N CYS A 62 1.351 0.630 -4.036 1.00 0.00 N ATOM 944 CA CYS A 62 2.398 -0.324 -3.705 1.00 0.00 C ATOM 945 C CYS A 62 2.837 -1.112 -4.918 1.00 0.00 C ATOM 946 O CYS A 62 4.029 -1.322 -5.124 1.00 0.00 O ATOM 947 CB CYS A 62 2.079 -1.281 -2.524 1.00 0.00 C ATOM 948 SG CYS A 62 0.448 -2.071 -2.513 1.00 0.00 S ATOM 0 H CYS A 62 0.474 0.422 -3.558 1.00 0.00 H new ATOM 0 HA CYS A 62 3.221 0.300 -3.356 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.835 -2.067 -2.513 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.189 -0.720 -1.596 1.00 0.00 H new ATOM 0 HG CYS A 62 0.584 -3.344 -2.286 1.00 0.00 H new ATOM 954 N LEU A 63 1.861 -1.494 -5.783 1.00 0.00 N ATOM 955 CA LEU A 63 2.058 -2.227 -7.019 1.00 0.00 C ATOM 956 C LEU A 63 2.775 -1.370 -8.037 1.00 0.00 C ATOM 957 O LEU A 63 3.645 -1.853 -8.761 1.00 0.00 O ATOM 958 CB LEU A 63 0.730 -2.755 -7.607 1.00 0.00 C ATOM 959 CG LEU A 63 0.063 -3.866 -6.760 1.00 0.00 C ATOM 960 CD1 LEU A 63 -1.398 -4.107 -7.190 1.00 0.00 C ATOM 961 CD2 LEU A 63 0.877 -5.174 -6.784 1.00 0.00 C ATOM 0 H LEU A 63 0.879 -1.280 -5.611 1.00 0.00 H new ATOM 0 HA LEU A 63 2.675 -3.093 -6.780 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.034 -1.923 -7.709 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.916 -3.139 -8.610 1.00 0.00 H new ATOM 0 HG LEU A 63 0.049 -3.514 -5.729 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.834 -4.893 -6.574 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.971 -3.188 -7.064 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.424 -4.410 -8.237 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.374 -5.927 -6.177 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.961 -5.532 -7.810 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.873 -4.990 -6.381 1.00 0.00 H new ATOM 973 N GLN A 64 2.446 -0.046 -8.042 1.00 0.00 N ATOM 974 CA GLN A 64 2.995 0.998 -8.885 1.00 0.00 C ATOM 975 C GLN A 64 4.453 1.232 -8.562 1.00 0.00 C ATOM 976 O GLN A 64 5.273 1.484 -9.444 1.00 0.00 O ATOM 977 CB GLN A 64 2.183 2.314 -8.764 1.00 0.00 C ATOM 978 CG GLN A 64 2.110 3.196 -10.035 1.00 0.00 C ATOM 979 CD GLN A 64 3.402 3.976 -10.336 1.00 0.00 C ATOM 980 OE1 GLN A 64 4.053 3.732 -11.359 1.00 0.00 O ATOM 981 NE2 GLN A 64 3.764 4.930 -9.425 1.00 0.00 N ATOM 0 H GLN A 64 1.739 0.320 -7.404 1.00 0.00 H new ATOM 0 HA GLN A 64 2.921 0.663 -9.919 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.166 2.062 -8.464 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.614 2.909 -7.959 1.00 0.00 H new ATOM 0 HG2 GLN A 64 1.874 2.563 -10.890 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.288 3.904 -9.926 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.189 5.089 -8.598 1.00 0.00 H new ATOM 0 HE22 GLN A 64 4.609 5.482 -9.573 1.00 0.00 H new ATOM 990 N ALA A 65 4.782 1.087 -7.252 1.00 0.00 N ATOM 991 CA ALA A 65 6.082 1.259 -6.635 1.00 0.00 C ATOM 992 C ALA A 65 7.041 0.206 -7.122 1.00 0.00 C ATOM 993 O ALA A 65 8.208 0.482 -7.395 1.00 0.00 O ATOM 994 CB ALA A 65 6.017 1.276 -5.097 1.00 0.00 C ATOM 0 H ALA A 65 4.076 0.826 -6.564 1.00 0.00 H new ATOM 0 HA ALA A 65 6.449 2.239 -6.938 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.020 1.408 -4.692 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.382 2.099 -4.769 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.602 0.333 -4.740 1.00 0.00 H new ATOM 1000 N GLY A 66 6.510 -1.032 -7.245 1.00 0.00 N ATOM 1001 CA GLY A 66 7.203 -2.178 -7.784 1.00 0.00 C ATOM 1002 C GLY A 66 7.183 -3.322 -6.824 1.00 0.00 C ATOM 1003 O GLY A 66 7.973 -4.252 -6.981 1.00 0.00 O ATOM 0 H GLY A 66 5.555 -1.246 -6.957 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.738 -2.479 -8.723 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.234 -1.909 -8.011 1.00 0.00 H new ATOM 1007 N MET A 67 6.257 -3.310 -5.817 1.00 0.00 N ATOM 1008 CA MET A 67 6.170 -4.327 -4.774 1.00 0.00 C ATOM 1009 C MET A 67 5.687 -5.627 -5.351 1.00 0.00 C ATOM 1010 O MET A 67 4.968 -5.637 -6.352 1.00 0.00 O ATOM 1011 CB MET A 67 5.279 -3.973 -3.564 1.00 0.00 C ATOM 1012 CG MET A 67 5.955 -2.954 -2.634 1.00 0.00 C ATOM 1013 SD MET A 67 4.969 -2.637 -1.143 1.00 0.00 S ATOM 1014 CE MET A 67 5.154 -4.119 -0.107 1.00 0.00 C ATOM 0 H MET A 67 5.553 -2.578 -5.725 1.00 0.00 H new ATOM 0 HA MET A 67 7.188 -4.401 -4.392 1.00 0.00 H new ATOM 0 HB2 MET A 67 4.331 -3.569 -3.917 1.00 0.00 H new ATOM 0 HB3 MET A 67 5.050 -4.880 -3.004 1.00 0.00 H new ATOM 0 HG2 MET A 67 6.939 -3.323 -2.346 1.00 0.00 H new ATOM 0 HG3 MET A 67 6.110 -2.019 -3.172 1.00 0.00 H new ATOM 0 HE1 MET A 67 4.319 -4.182 0.591 1.00 0.00 H new ATOM 0 HE2 MET A 67 5.166 -5.006 -0.740 1.00 0.00 H new ATOM 0 HE3 MET A 67 6.089 -4.059 0.451 1.00 0.00 H new ATOM 1024 N ASN A 68 6.087 -6.758 -4.728 1.00 0.00 N ATOM 1025 CA ASN A 68 5.661 -8.045 -5.211 1.00 0.00 C ATOM 1026 C ASN A 68 5.874 -8.944 -4.055 1.00 0.00 C ATOM 1027 O ASN A 68 6.972 -9.088 -3.531 1.00 0.00 O ATOM 1028 CB ASN A 68 6.399 -8.569 -6.485 1.00 0.00 C ATOM 1029 CG ASN A 68 5.696 -9.719 -7.247 1.00 0.00 C ATOM 1030 OD1 ASN A 68 6.383 -10.602 -7.776 1.00 0.00 O ATOM 1031 ND2 ASN A 68 4.331 -9.706 -7.296 1.00 0.00 N ATOM 0 H ASN A 68 6.692 -6.784 -3.907 1.00 0.00 H new ATOM 0 HA ASN A 68 4.627 -7.990 -5.553 1.00 0.00 H new ATOM 0 HB2 ASN A 68 6.535 -7.734 -7.172 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.393 -8.907 -6.193 1.00 0.00 H new ATOM 0 HD21 ASN A 68 3.831 -10.448 -7.786 1.00 0.00 H new ATOM 0 HD22 ASN A 68 3.812 -8.954 -6.843 1.00 0.00 H new ATOM 1038 N LEU A 69 4.775 -9.593 -3.638 1.00 0.00 N ATOM 1039 CA LEU A 69 4.692 -10.502 -2.526 1.00 0.00 C ATOM 1040 C LEU A 69 5.102 -11.818 -3.146 1.00 0.00 C ATOM 1041 O LEU A 69 4.308 -12.551 -3.733 1.00 0.00 O ATOM 1042 CB LEU A 69 3.300 -10.375 -1.854 1.00 0.00 C ATOM 1043 CG LEU A 69 2.849 -11.429 -0.817 1.00 0.00 C ATOM 1044 CD1 LEU A 69 2.470 -12.799 -1.406 1.00 0.00 C ATOM 1045 CD2 LEU A 69 3.843 -11.555 0.341 1.00 0.00 C ATOM 0 H LEU A 69 3.877 -9.478 -4.108 1.00 0.00 H new ATOM 0 HA LEU A 69 5.342 -10.323 -1.669 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.262 -9.401 -1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.555 -10.362 -2.649 1.00 0.00 H new ATOM 0 HG LEU A 69 1.914 -11.037 -0.417 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.168 -13.470 -0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.644 -12.678 -2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.329 -13.221 -1.927 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.487 -12.306 1.046 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.817 -11.854 -0.046 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.934 -10.595 0.849 1.00 0.00 H new ATOM 1057 N GLU A 70 6.441 -12.035 -3.057 1.00 0.00 N ATOM 1058 CA GLU A 70 7.280 -13.070 -3.618 1.00 0.00 C ATOM 1059 C GLU A 70 7.948 -12.392 -4.790 1.00 0.00 C ATOM 1060 O GLU A 70 7.701 -12.709 -5.953 1.00 0.00 O ATOM 1061 CB GLU A 70 6.661 -14.436 -3.994 1.00 0.00 C ATOM 1062 CG GLU A 70 6.053 -15.187 -2.787 1.00 0.00 C ATOM 1063 CD GLU A 70 5.378 -16.490 -3.223 1.00 0.00 C ATOM 1064 OE1 GLU A 70 6.099 -17.402 -3.710 1.00 0.00 O ATOM 1065 OE2 GLU A 70 4.131 -16.591 -3.066 1.00 0.00 O ATOM 0 H GLU A 70 7.010 -11.388 -2.512 1.00 0.00 H new ATOM 0 HA GLU A 70 7.950 -13.420 -2.833 1.00 0.00 H new ATOM 0 HB2 GLU A 70 5.886 -14.281 -4.744 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.428 -15.060 -4.452 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.836 -15.406 -2.061 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.325 -14.548 -2.288 1.00 0.00 H new ATOM 1072 N ALA A 71 8.818 -11.407 -4.454 1.00 0.00 N ATOM 1073 CA ALA A 71 9.570 -10.555 -5.360 1.00 0.00 C ATOM 1074 C ALA A 71 10.969 -11.106 -5.472 1.00 0.00 C ATOM 1075 O ALA A 71 11.338 -12.057 -4.783 1.00 0.00 O ATOM 1076 CB ALA A 71 9.669 -9.091 -4.862 1.00 0.00 C ATOM 0 H ALA A 71 9.013 -11.187 -3.477 1.00 0.00 H new ATOM 0 HA ALA A 71 9.048 -10.547 -6.317 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.241 -8.501 -5.578 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.668 -8.671 -4.764 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.168 -9.069 -3.893 1.00 0.00 H new ATOM 1082 N ARG A 72 11.778 -10.483 -6.366 1.00 0.00 N ATOM 1083 CA ARG A 72 13.157 -10.817 -6.641 1.00 0.00 C ATOM 1084 C ARG A 72 14.026 -9.810 -5.858 1.00 0.00 C ATOM 1085 O ARG A 72 14.835 -10.269 -5.008 1.00 0.00 O ATOM 1086 CB ARG A 72 13.457 -10.738 -8.158 1.00 0.00 C ATOM 1087 CG ARG A 72 14.872 -11.193 -8.578 1.00 0.00 C ATOM 1088 CD ARG A 72 15.123 -11.295 -10.102 1.00 0.00 C ATOM 1089 NE ARG A 72 15.273 -9.936 -10.752 1.00 0.00 N ATOM 1090 CZ ARG A 72 14.219 -9.110 -11.044 1.00 0.00 C ATOM 1091 NH1 ARG A 72 12.956 -9.593 -11.235 1.00 0.00 N ATOM 1092 NH2 ARG A 72 14.444 -7.768 -11.174 1.00 0.00 N ATOM 1093 OXT ARG A 72 13.886 -8.581 -6.099 1.00 0.00 O ATOM 0 H ARG A 72 11.449 -9.699 -6.930 1.00 0.00 H new ATOM 0 HA ARG A 72 13.373 -11.840 -6.332 1.00 0.00 H new ATOM 0 HB2 ARG A 72 12.725 -11.348 -8.688 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.312 -9.709 -8.487 1.00 0.00 H new ATOM 0 HG2 ARG A 72 15.597 -10.497 -8.155 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.067 -12.168 -8.131 1.00 0.00 H new ATOM 0 HD2 ARG A 72 16.024 -11.882 -10.281 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.296 -11.829 -10.569 1.00 0.00 H new ATOM 0 HE ARG A 72 16.213 -9.617 -10.986 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.776 -10.594 -11.162 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.192 -8.952 -11.451 1.00 0.00 H new ATOM 0 HH21 ARG A 72 15.386 -7.395 -11.054 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.670 -7.140 -11.391 1.00 0.00 H new TER 1107 ARG A 72 HETATM 1108 ZN ZN A 73 2.815 2.497 4.498 1.00 0.00 ZN HETATM 1109 ZN ZN A 74 -8.831 6.634 -3.497 1.00 0.00 ZN