USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 641 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 6 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 7 THR OG1 : rot 180:sc= 0.264 USER MOD Set 1.3: A 67 LYS NZ :NH3+ 172:sc= 0.279 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.0431 K(o=-0.043,f=-0.74) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0.00315 K(o=0.0031,f=-2.3!) USER MOD Single : A 15 TYR OH : rot -50:sc= 0.9 USER MOD Single : A 16 TYR OH : rot 80:sc= -0.18 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.429 K(o=0.43,f=-0.22) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.129 K(o=-0.13,f=-0.94) USER MOD Single : A 38 ASN : amide:sc= -0.049 K(o=-0.049,f=-2.7!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -150:sc= 1.29 USER MOD Single : A 47 SER OG : rot -36:sc= 0.485 USER MOD Single : A 49 ASN : amide:sc= -0.115 X(o=-0.12,f=-0.51) USER MOD Single : A 51 MET CE :methyl 150:sc= -4.25 (180deg=-9.5!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 19:sc= 0.9 USER MOD Single : A 55 SER OG : rot -109:sc= 1 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -165:sc=-0.00132 (180deg=-0.0964) USER MOD Single : A 68 SER OG : rot 90:sc= -0.264 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.362 K(o=-0.36,f=-6.4!) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0286 USER MOD Single : A 78 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.199) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 75 N SER A 6 -4.140 -12.923 -3.454 1.00 0.70 N ATOM 76 CA SER A 6 -3.331 -11.833 -3.966 1.00 0.63 C ATOM 77 C SER A 6 -4.239 -10.673 -4.341 1.00 0.62 C ATOM 78 O SER A 6 -4.039 -9.556 -3.895 1.00 0.58 O ATOM 79 CB SER A 6 -2.528 -12.337 -5.173 1.00 0.73 C ATOM 80 OG SER A 6 -1.800 -11.306 -5.813 1.00 1.12 O ATOM 0 HA SER A 6 -2.629 -11.481 -3.210 1.00 0.63 H new ATOM 0 HB2 SER A 6 -1.838 -13.115 -4.846 1.00 0.73 H new ATOM 0 HB3 SER A 6 -3.208 -12.796 -5.891 1.00 0.73 H new ATOM 0 HG SER A 6 -1.305 -11.678 -6.573 1.00 1.12 H new ATOM 86 N THR A 7 -5.266 -10.914 -5.139 1.00 0.77 N ATOM 87 CA THR A 7 -6.159 -9.858 -5.583 1.00 0.87 C ATOM 88 C THR A 7 -7.055 -9.365 -4.444 1.00 0.87 C ATOM 89 O THR A 7 -7.380 -8.182 -4.391 1.00 0.86 O ATOM 90 CB THR A 7 -6.921 -10.344 -6.820 1.00 1.13 C ATOM 91 OG1 THR A 7 -5.968 -10.777 -7.777 1.00 1.14 O ATOM 92 CG2 THR A 7 -7.780 -9.246 -7.450 1.00 1.42 C ATOM 0 H THR A 7 -5.503 -11.840 -5.495 1.00 0.77 H new ATOM 0 HA THR A 7 -5.588 -8.977 -5.878 1.00 0.87 H new ATOM 0 HB THR A 7 -7.590 -11.148 -6.513 1.00 1.13 H new ATOM 0 HG1 THR A 7 -6.432 -11.095 -8.580 1.00 1.14 H new ATOM 0 HG21 THR A 7 -8.298 -9.645 -8.322 1.00 1.42 H new ATOM 0 HG22 THR A 7 -8.512 -8.894 -6.723 1.00 1.42 H new ATOM 0 HG23 THR A 7 -7.143 -8.415 -7.754 1.00 1.42 H new ATOM 100 N GLN A 8 -7.419 -10.229 -3.496 1.00 0.94 N ATOM 101 CA GLN A 8 -8.158 -9.824 -2.303 1.00 1.01 C ATOM 102 C GLN A 8 -7.326 -8.887 -1.438 1.00 0.80 C ATOM 103 O GLN A 8 -7.861 -7.997 -0.781 1.00 0.78 O ATOM 104 CB GLN A 8 -8.533 -11.057 -1.474 1.00 1.29 C ATOM 105 CG GLN A 8 -9.841 -11.703 -1.941 1.00 1.53 C ATOM 106 CD GLN A 8 -11.061 -10.887 -1.513 1.00 1.97 C ATOM 107 OE1 GLN A 8 -11.106 -10.330 -0.425 1.00 1.96 O ATOM 108 NE2 GLN A 8 -12.082 -10.795 -2.355 1.00 2.98 N ATOM 0 H GLN A 8 -7.210 -11.227 -3.534 1.00 0.94 H new ATOM 0 HA GLN A 8 -9.059 -9.304 -2.629 1.00 1.01 H new ATOM 0 HB2 GLN A 8 -7.728 -11.790 -1.534 1.00 1.29 H new ATOM 0 HB3 GLN A 8 -8.627 -10.771 -0.426 1.00 1.29 H new ATOM 0 HG2 GLN A 8 -9.831 -11.800 -3.027 1.00 1.53 H new ATOM 0 HG3 GLN A 8 -9.915 -12.710 -1.531 1.00 1.53 H new ATOM 0 HE21 GLN A 8 -12.039 -11.261 -3.261 1.00 2.98 H new ATOM 0 HE22 GLN A 8 -12.910 -10.258 -2.096 1.00 2.98 H new ATOM 117 N ILE A 9 -6.015 -9.092 -1.398 1.00 0.74 N ATOM 118 CA ILE A 9 -5.163 -8.242 -0.592 1.00 0.68 C ATOM 119 C ILE A 9 -4.894 -6.972 -1.375 1.00 0.51 C ATOM 120 O ILE A 9 -4.788 -5.891 -0.808 1.00 0.53 O ATOM 121 CB ILE A 9 -3.903 -9.007 -0.156 1.00 0.79 C ATOM 122 CG1 ILE A 9 -3.593 -8.608 1.284 1.00 1.25 C ATOM 123 CG2 ILE A 9 -2.647 -8.761 -0.993 1.00 1.57 C ATOM 124 CD1 ILE A 9 -2.576 -9.539 1.919 1.00 1.61 C ATOM 0 H ILE A 9 -5.529 -9.830 -1.908 1.00 0.74 H new ATOM 0 HA ILE A 9 -5.646 -7.950 0.341 1.00 0.68 H new ATOM 0 HB ILE A 9 -4.138 -10.063 -0.285 1.00 0.79 H new ATOM 0 HG12 ILE A 9 -3.214 -7.586 1.305 1.00 1.25 H new ATOM 0 HG13 ILE A 9 -4.512 -8.619 1.870 1.00 1.25 H new ATOM 0 HG21 ILE A 9 -1.822 -9.352 -0.594 1.00 1.57 H new ATOM 0 HG22 ILE A 9 -2.835 -9.052 -2.026 1.00 1.57 H new ATOM 0 HG23 ILE A 9 -2.387 -7.703 -0.956 1.00 1.57 H new ATOM 0 HD11 ILE A 9 -2.382 -9.222 2.944 1.00 1.61 H new ATOM 0 HD12 ILE A 9 -2.966 -10.557 1.922 1.00 1.61 H new ATOM 0 HD13 ILE A 9 -1.648 -9.508 1.348 1.00 1.61 H new ATOM 136 N LEU A 10 -4.837 -7.096 -2.699 1.00 0.44 N ATOM 137 CA LEU A 10 -4.587 -5.970 -3.568 1.00 0.41 C ATOM 138 C LEU A 10 -5.695 -4.931 -3.417 1.00 0.38 C ATOM 139 O LEU A 10 -5.434 -3.753 -3.177 1.00 0.40 O ATOM 140 CB LEU A 10 -4.431 -6.455 -5.011 1.00 0.56 C ATOM 141 CG LEU A 10 -3.538 -5.558 -5.873 1.00 0.70 C ATOM 142 CD1 LEU A 10 -3.934 -5.844 -7.322 1.00 1.71 C ATOM 143 CD2 LEU A 10 -3.658 -4.072 -5.525 1.00 1.98 C ATOM 0 H LEU A 10 -4.964 -7.981 -3.190 1.00 0.44 H new ATOM 0 HA LEU A 10 -3.654 -5.483 -3.284 1.00 0.41 H new ATOM 0 HB2 LEU A 10 -4.017 -7.463 -5.002 1.00 0.56 H new ATOM 0 HB3 LEU A 10 -5.417 -6.519 -5.471 1.00 0.56 H new ATOM 0 HG LEU A 10 -2.487 -5.784 -5.693 1.00 0.70 H new ATOM 0 HD11 LEU A 10 -3.330 -5.232 -7.992 1.00 1.71 H new ATOM 0 HD12 LEU A 10 -3.767 -6.898 -7.544 1.00 1.71 H new ATOM 0 HD13 LEU A 10 -4.988 -5.606 -7.465 1.00 1.71 H new ATOM 0 HD21 LEU A 10 -3.000 -3.492 -6.172 1.00 1.98 H new ATOM 0 HD22 LEU A 10 -4.688 -3.746 -5.670 1.00 1.98 H new ATOM 0 HD23 LEU A 10 -3.372 -3.918 -4.485 1.00 1.98 H new ATOM 155 N LYS A 11 -6.952 -5.348 -3.518 1.00 0.42 N ATOM 156 CA LYS A 11 -8.054 -4.409 -3.342 1.00 0.47 C ATOM 157 C LYS A 11 -8.114 -3.869 -1.914 1.00 0.44 C ATOM 158 O LYS A 11 -8.614 -2.779 -1.661 1.00 0.56 O ATOM 159 CB LYS A 11 -9.364 -5.058 -3.773 1.00 0.76 C ATOM 160 CG LYS A 11 -9.818 -6.127 -2.778 1.00 1.88 C ATOM 161 CD LYS A 11 -10.556 -7.232 -3.524 1.00 2.34 C ATOM 162 CE LYS A 11 -11.786 -6.594 -4.165 1.00 2.59 C ATOM 163 NZ LYS A 11 -12.518 -7.469 -5.091 1.00 3.03 N ATOM 0 H LYS A 11 -7.230 -6.309 -3.717 1.00 0.42 H new ATOM 0 HA LYS A 11 -7.881 -3.545 -3.983 1.00 0.47 H new ATOM 0 HB2 LYS A 11 -10.136 -4.294 -3.864 1.00 0.76 H new ATOM 0 HB3 LYS A 11 -9.241 -5.507 -4.759 1.00 0.76 H new ATOM 0 HG2 LYS A 11 -8.957 -6.540 -2.253 1.00 1.88 H new ATOM 0 HG3 LYS A 11 -10.469 -5.685 -2.024 1.00 1.88 H new ATOM 0 HD2 LYS A 11 -9.914 -7.680 -4.283 1.00 2.34 H new ATOM 0 HD3 LYS A 11 -10.847 -8.030 -2.841 1.00 2.34 H new ATOM 0 HE2 LYS A 11 -12.466 -6.273 -3.375 1.00 2.59 H new ATOM 0 HE3 LYS A 11 -11.476 -5.698 -4.702 1.00 2.59 H new ATOM 0 HZ1 LYS A 11 -13.336 -6.957 -5.479 1.00 3.03 H new ATOM 0 HZ2 LYS A 11 -11.889 -7.756 -5.868 1.00 3.03 H new ATOM 0 HZ3 LYS A 11 -12.848 -8.314 -4.582 1.00 3.03 H new ATOM 177 N GLN A 12 -7.572 -4.613 -0.953 1.00 0.45 N ATOM 178 CA GLN A 12 -7.447 -4.095 0.400 1.00 0.49 C ATOM 179 C GLN A 12 -6.312 -3.065 0.483 1.00 0.46 C ATOM 180 O GLN A 12 -6.349 -2.180 1.334 1.00 0.53 O ATOM 181 CB GLN A 12 -7.243 -5.224 1.410 1.00 0.63 C ATOM 182 CG GLN A 12 -8.512 -6.021 1.745 1.00 1.68 C ATOM 183 CD GLN A 12 -9.372 -5.419 2.865 1.00 1.14 C ATOM 184 OE1 GLN A 12 -8.894 -4.805 3.818 1.00 1.79 O ATOM 185 NE2 GLN A 12 -10.677 -5.643 2.804 1.00 2.02 N ATOM 0 H GLN A 12 -7.219 -5.561 -1.085 1.00 0.45 H new ATOM 0 HA GLN A 12 -8.380 -3.593 0.656 1.00 0.49 H new ATOM 0 HB2 GLN A 12 -6.491 -5.910 1.020 1.00 0.63 H new ATOM 0 HB3 GLN A 12 -6.842 -4.801 2.331 1.00 0.63 H new ATOM 0 HG2 GLN A 12 -9.120 -6.105 0.844 1.00 1.68 H new ATOM 0 HG3 GLN A 12 -8.224 -7.033 2.031 1.00 1.68 H new ATOM 0 HE21 GLN A 12 -11.071 -6.152 2.013 1.00 2.02 H new ATOM 0 HE22 GLN A 12 -11.288 -5.306 3.548 1.00 2.02 H new ATOM 194 N VAL A 13 -5.303 -3.137 -0.388 1.00 0.44 N ATOM 195 CA VAL A 13 -4.214 -2.176 -0.361 1.00 0.47 C ATOM 196 C VAL A 13 -4.746 -0.869 -0.934 1.00 0.43 C ATOM 197 O VAL A 13 -4.574 0.188 -0.329 1.00 0.51 O ATOM 198 CB VAL A 13 -3.004 -2.751 -1.118 1.00 0.50 C ATOM 199 CG1 VAL A 13 -2.035 -1.682 -1.630 1.00 0.71 C ATOM 200 CG2 VAL A 13 -2.233 -3.698 -0.192 1.00 0.80 C ATOM 0 H VAL A 13 -5.223 -3.849 -1.114 1.00 0.44 H new ATOM 0 HA VAL A 13 -3.858 -1.974 0.649 1.00 0.47 H new ATOM 0 HB VAL A 13 -3.404 -3.270 -1.989 1.00 0.50 H new ATOM 0 HG11 VAL A 13 -1.208 -2.161 -2.153 1.00 0.71 H new ATOM 0 HG12 VAL A 13 -2.558 -1.014 -2.314 1.00 0.71 H new ATOM 0 HG13 VAL A 13 -1.648 -1.108 -0.788 1.00 0.71 H new ATOM 0 HG21 VAL A 13 -1.375 -4.108 -0.724 1.00 0.80 H new ATOM 0 HG22 VAL A 13 -1.888 -3.149 0.685 1.00 0.80 H new ATOM 0 HG23 VAL A 13 -2.887 -4.511 0.123 1.00 0.80 H new ATOM 210 N GLU A 14 -5.423 -0.925 -2.082 1.00 0.37 N ATOM 211 CA GLU A 14 -5.996 0.279 -2.657 1.00 0.41 C ATOM 212 C GLU A 14 -7.106 0.840 -1.777 1.00 0.38 C ATOM 213 O GLU A 14 -7.296 2.051 -1.766 1.00 0.39 O ATOM 214 CB GLU A 14 -6.450 0.045 -4.098 1.00 0.53 C ATOM 215 CG GLU A 14 -7.818 -0.636 -4.199 1.00 1.51 C ATOM 216 CD GLU A 14 -8.027 -1.250 -5.579 1.00 2.36 C ATOM 217 OE1 GLU A 14 -7.375 -0.744 -6.516 1.00 3.12 O ATOM 218 OE2 GLU A 14 -8.790 -2.231 -5.691 1.00 3.57 O ATOM 0 H GLU A 14 -5.583 -1.777 -2.619 1.00 0.37 H new ATOM 0 HA GLU A 14 -5.215 1.039 -2.695 1.00 0.41 H new ATOM 0 HB2 GLU A 14 -6.489 1.001 -4.619 1.00 0.53 H new ATOM 0 HB3 GLU A 14 -5.708 -0.568 -4.610 1.00 0.53 H new ATOM 0 HG2 GLU A 14 -7.899 -1.411 -3.437 1.00 1.51 H new ATOM 0 HG3 GLU A 14 -8.605 0.091 -3.998 1.00 1.51 H new ATOM 225 N TYR A 15 -7.801 -0.002 -1.003 1.00 0.38 N ATOM 226 CA TYR A 15 -8.865 0.422 -0.113 1.00 0.37 C ATOM 227 C TYR A 15 -8.332 1.498 0.828 1.00 0.35 C ATOM 228 O TYR A 15 -8.968 2.533 0.971 1.00 0.36 O ATOM 229 CB TYR A 15 -9.453 -0.787 0.632 1.00 0.38 C ATOM 230 CG TYR A 15 -9.828 -0.488 2.063 1.00 0.45 C ATOM 231 CD1 TYR A 15 -11.023 0.191 2.352 1.00 0.74 C ATOM 232 CD2 TYR A 15 -8.893 -0.741 3.082 1.00 0.62 C ATOM 233 CE1 TYR A 15 -11.258 0.666 3.653 1.00 0.89 C ATOM 234 CE2 TYR A 15 -9.110 -0.249 4.374 1.00 0.68 C ATOM 235 CZ TYR A 15 -10.285 0.480 4.662 1.00 0.73 C ATOM 236 OH TYR A 15 -10.459 1.038 5.892 1.00 0.94 O ATOM 0 H TYR A 15 -7.631 -1.008 -0.984 1.00 0.38 H new ATOM 0 HA TYR A 15 -9.684 0.859 -0.684 1.00 0.37 H new ATOM 0 HB2 TYR A 15 -10.337 -1.138 0.099 1.00 0.38 H new ATOM 0 HB3 TYR A 15 -8.728 -1.601 0.617 1.00 0.38 H new ATOM 0 HD1 TYR A 15 -11.759 0.347 1.577 1.00 0.74 H new ATOM 0 HD2 TYR A 15 -8.005 -1.317 2.867 1.00 0.62 H new ATOM 0 HE1 TYR A 15 -12.183 1.174 3.883 1.00 0.89 H new ATOM 0 HE2 TYR A 15 -8.380 -0.426 5.150 1.00 0.68 H new ATOM 0 HH TYR A 15 -10.685 1.986 5.792 1.00 0.94 H new ATOM 246 N TYR A 16 -7.155 1.306 1.430 1.00 0.36 N ATOM 247 CA TYR A 16 -6.593 2.288 2.357 1.00 0.40 C ATOM 248 C TYR A 16 -6.503 3.691 1.742 1.00 0.43 C ATOM 249 O TYR A 16 -6.623 4.691 2.452 1.00 0.55 O ATOM 250 CB TYR A 16 -5.237 1.799 2.881 1.00 0.41 C ATOM 251 CG TYR A 16 -5.335 0.933 4.119 1.00 0.55 C ATOM 252 CD1 TYR A 16 -5.561 1.549 5.365 1.00 1.97 C ATOM 253 CD2 TYR A 16 -5.138 -0.459 4.050 1.00 1.82 C ATOM 254 CE1 TYR A 16 -5.528 0.794 6.548 1.00 2.17 C ATOM 255 CE2 TYR A 16 -5.113 -1.224 5.231 1.00 1.82 C ATOM 256 CZ TYR A 16 -5.278 -0.595 6.485 1.00 1.05 C ATOM 257 OH TYR A 16 -5.175 -1.326 7.631 1.00 1.32 O ATOM 0 H TYR A 16 -6.574 0.479 1.291 1.00 0.36 H new ATOM 0 HA TYR A 16 -7.275 2.381 3.203 1.00 0.40 H new ATOM 0 HB2 TYR A 16 -4.736 1.236 2.094 1.00 0.41 H new ATOM 0 HB3 TYR A 16 -4.611 2.663 3.102 1.00 0.41 H new ATOM 0 HD1 TYR A 16 -5.761 2.609 5.411 1.00 1.97 H new ATOM 0 HD2 TYR A 16 -5.006 -0.939 3.092 1.00 1.82 H new ATOM 0 HE1 TYR A 16 -5.693 1.273 7.502 1.00 2.17 H new ATOM 0 HE2 TYR A 16 -4.968 -2.293 5.179 1.00 1.82 H new ATOM 0 HH TYR A 16 -6.071 -1.529 7.971 1.00 1.32 H new ATOM 267 N PHE A 17 -6.309 3.785 0.427 1.00 0.42 N ATOM 268 CA PHE A 17 -6.259 5.061 -0.272 1.00 0.52 C ATOM 269 C PHE A 17 -7.644 5.495 -0.755 1.00 0.65 C ATOM 270 O PHE A 17 -7.936 6.687 -0.809 1.00 1.05 O ATOM 271 CB PHE A 17 -5.240 4.965 -1.414 1.00 0.55 C ATOM 272 CG PHE A 17 -3.842 4.729 -0.881 1.00 0.65 C ATOM 273 CD1 PHE A 17 -3.391 3.418 -0.628 1.00 0.87 C ATOM 274 CD2 PHE A 17 -3.035 5.826 -0.532 1.00 1.31 C ATOM 275 CE1 PHE A 17 -2.155 3.206 0.003 1.00 1.05 C ATOM 276 CE2 PHE A 17 -1.800 5.614 0.098 1.00 1.61 C ATOM 277 CZ PHE A 17 -1.368 4.305 0.380 1.00 1.30 C ATOM 0 H PHE A 17 -6.182 2.976 -0.181 1.00 0.42 H new ATOM 0 HA PHE A 17 -5.932 5.839 0.417 1.00 0.52 H new ATOM 0 HB2 PHE A 17 -5.518 4.153 -2.086 1.00 0.55 H new ATOM 0 HB3 PHE A 17 -5.259 5.884 -2.000 1.00 0.55 H new ATOM 0 HD1 PHE A 17 -3.998 2.574 -0.920 1.00 0.87 H new ATOM 0 HD2 PHE A 17 -3.366 6.831 -0.749 1.00 1.31 H new ATOM 0 HE1 PHE A 17 -1.811 2.201 0.198 1.00 1.05 H new ATOM 0 HE2 PHE A 17 -1.180 6.456 0.367 1.00 1.61 H new ATOM 0 HZ PHE A 17 -0.428 4.146 0.888 1.00 1.30 H new ATOM 287 N SER A 18 -8.494 4.532 -1.103 1.00 0.43 N ATOM 288 CA SER A 18 -9.817 4.724 -1.669 1.00 0.55 C ATOM 289 C SER A 18 -10.797 5.265 -0.632 1.00 0.57 C ATOM 290 O SER A 18 -11.685 6.054 -0.938 1.00 0.77 O ATOM 291 CB SER A 18 -10.280 3.383 -2.223 1.00 0.74 C ATOM 292 OG SER A 18 -11.473 3.513 -2.959 1.00 0.90 O ATOM 0 H SER A 18 -8.261 3.545 -0.990 1.00 0.43 H new ATOM 0 HA SER A 18 -9.778 5.467 -2.466 1.00 0.55 H new ATOM 0 HB2 SER A 18 -9.502 2.963 -2.861 1.00 0.74 H new ATOM 0 HB3 SER A 18 -10.432 2.682 -1.402 1.00 0.74 H new ATOM 0 HG SER A 18 -11.743 2.636 -3.302 1.00 0.90 H new ATOM 298 N ASP A 19 -10.593 4.883 0.625 1.00 0.52 N ATOM 299 CA ASP A 19 -11.460 5.101 1.777 1.00 0.63 C ATOM 300 C ASP A 19 -11.304 6.528 2.317 1.00 0.58 C ATOM 301 O ASP A 19 -11.652 6.810 3.459 1.00 0.67 O ATOM 302 CB ASP A 19 -10.995 4.050 2.797 1.00 0.74 C ATOM 303 CG ASP A 19 -11.783 3.954 4.104 1.00 1.01 C ATOM 304 OD1 ASP A 19 -13.029 3.983 4.033 1.00 1.45 O ATOM 305 OD2 ASP A 19 -11.129 3.692 5.147 1.00 2.12 O ATOM 0 H ASP A 19 -9.749 4.372 0.884 1.00 0.52 H new ATOM 0 HA ASP A 19 -12.518 4.998 1.538 1.00 0.63 H new ATOM 0 HB2 ASP A 19 -11.021 3.074 2.313 1.00 0.74 H new ATOM 0 HB3 ASP A 19 -9.953 4.255 3.044 1.00 0.74 H new ATOM 310 N SER A 20 -10.715 7.430 1.519 1.00 0.53 N ATOM 311 CA SER A 20 -10.191 8.723 1.944 1.00 0.55 C ATOM 312 C SER A 20 -9.508 8.631 3.309 1.00 0.51 C ATOM 313 O SER A 20 -9.526 9.575 4.099 1.00 0.59 O ATOM 314 CB SER A 20 -11.301 9.776 1.883 1.00 0.65 C ATOM 315 OG SER A 20 -11.300 10.354 0.593 1.00 1.22 O ATOM 0 H SER A 20 -10.589 7.266 0.520 1.00 0.53 H new ATOM 0 HA SER A 20 -9.409 9.041 1.255 1.00 0.55 H new ATOM 0 HB2 SER A 20 -12.268 9.319 2.093 1.00 0.65 H new ATOM 0 HB3 SER A 20 -11.139 10.542 2.641 1.00 0.65 H new ATOM 0 HG SER A 20 -12.007 11.030 0.537 1.00 1.22 H new ATOM 321 N ASN A 21 -8.845 7.501 3.568 1.00 0.45 N ATOM 322 CA ASN A 21 -8.201 7.267 4.843 1.00 0.46 C ATOM 323 C ASN A 21 -6.752 7.735 4.791 1.00 0.41 C ATOM 324 O ASN A 21 -6.197 8.105 5.813 1.00 0.47 O ATOM 325 CB ASN A 21 -8.342 5.800 5.253 1.00 0.53 C ATOM 326 CG ASN A 21 -8.533 5.662 6.758 1.00 1.00 C ATOM 327 OD1 ASN A 21 -8.066 6.481 7.541 1.00 1.83 O ATOM 328 ND2 ASN A 21 -9.280 4.652 7.179 1.00 1.65 N ATOM 0 H ASN A 21 -8.745 6.736 2.901 1.00 0.45 H new ATOM 0 HA ASN A 21 -8.696 7.853 5.617 1.00 0.46 H new ATOM 0 HB2 ASN A 21 -9.191 5.355 4.734 1.00 0.53 H new ATOM 0 HB3 ASN A 21 -7.455 5.247 4.945 1.00 0.53 H new ATOM 0 HD21 ASN A 21 -9.477 4.544 8.174 1.00 1.65 H new ATOM 0 HD22 ASN A 21 -9.658 3.983 6.508 1.00 1.65 H new ATOM 335 N PHE A 22 -6.142 7.836 3.603 1.00 0.37 N ATOM 336 CA PHE A 22 -4.770 8.303 3.469 1.00 0.39 C ATOM 337 C PHE A 22 -4.576 9.671 4.127 1.00 0.40 C ATOM 338 O PHE A 22 -3.627 9.815 4.892 1.00 0.44 O ATOM 339 CB PHE A 22 -4.338 8.263 1.993 1.00 0.48 C ATOM 340 CG PHE A 22 -3.638 9.498 1.474 1.00 0.55 C ATOM 341 CD1 PHE A 22 -2.354 9.844 1.930 1.00 1.64 C ATOM 342 CD2 PHE A 22 -4.313 10.339 0.576 1.00 2.09 C ATOM 343 CE1 PHE A 22 -1.770 11.050 1.511 1.00 1.78 C ATOM 344 CE2 PHE A 22 -3.750 11.563 0.199 1.00 2.45 C ATOM 345 CZ PHE A 22 -2.469 11.918 0.655 1.00 1.56 C ATOM 0 H PHE A 22 -6.588 7.596 2.718 1.00 0.37 H new ATOM 0 HA PHE A 22 -4.108 7.626 4.010 1.00 0.39 H new ATOM 0 HB2 PHE A 22 -3.677 7.408 1.852 1.00 0.48 H new ATOM 0 HB3 PHE A 22 -5.222 8.086 1.381 1.00 0.48 H new ATOM 0 HD1 PHE A 22 -1.820 9.186 2.599 1.00 1.64 H new ATOM 0 HD2 PHE A 22 -5.270 10.040 0.175 1.00 2.09 H new ATOM 0 HE1 PHE A 22 -0.778 11.312 1.848 1.00 1.78 H new ATOM 0 HE2 PHE A 22 -4.300 12.235 -0.443 1.00 2.45 H new ATOM 0 HZ PHE A 22 -2.024 12.853 0.349 1.00 1.56 H new ATOM 355 N PRO A 23 -5.425 10.683 3.886 1.00 0.45 N ATOM 356 CA PRO A 23 -5.211 11.982 4.484 1.00 0.54 C ATOM 357 C PRO A 23 -5.616 11.997 5.968 1.00 0.55 C ATOM 358 O PRO A 23 -5.198 12.874 6.731 1.00 0.65 O ATOM 359 CB PRO A 23 -6.051 12.948 3.650 1.00 0.64 C ATOM 360 CG PRO A 23 -7.221 12.085 3.182 1.00 0.59 C ATOM 361 CD PRO A 23 -6.607 10.694 3.041 1.00 0.51 C ATOM 0 HA PRO A 23 -4.158 12.263 4.478 1.00 0.54 H new ATOM 0 HB2 PRO A 23 -6.390 13.799 4.241 1.00 0.64 H new ATOM 0 HB3 PRO A 23 -5.486 13.349 2.809 1.00 0.64 H new ATOM 0 HG2 PRO A 23 -8.038 12.091 3.904 1.00 0.59 H new ATOM 0 HG3 PRO A 23 -7.629 12.441 2.236 1.00 0.59 H new ATOM 0 HD2 PRO A 23 -7.314 9.924 3.351 1.00 0.51 H new ATOM 0 HD3 PRO A 23 -6.345 10.488 2.003 1.00 0.51 H new ATOM 369 N ARG A 24 -6.468 11.059 6.385 1.00 0.50 N ATOM 370 CA ARG A 24 -7.045 11.018 7.721 1.00 0.56 C ATOM 371 C ARG A 24 -6.089 10.333 8.697 1.00 0.54 C ATOM 372 O ARG A 24 -6.030 10.705 9.871 1.00 0.71 O ATOM 373 CB ARG A 24 -8.408 10.318 7.596 1.00 0.64 C ATOM 374 CG ARG A 24 -9.325 10.476 8.812 1.00 0.76 C ATOM 375 CD ARG A 24 -9.002 9.480 9.932 1.00 1.50 C ATOM 376 NE ARG A 24 -8.515 10.159 11.139 1.00 2.69 N ATOM 377 CZ ARG A 24 -9.277 10.808 12.027 1.00 3.42 C ATOM 378 NH1 ARG A 24 -10.590 10.929 11.824 1.00 3.76 N ATOM 379 NH2 ARG A 24 -8.724 11.346 13.116 1.00 4.65 N ATOM 0 H ARG A 24 -6.780 10.293 5.788 1.00 0.50 H new ATOM 0 HA ARG A 24 -7.199 12.016 8.132 1.00 0.56 H new ATOM 0 HB2 ARG A 24 -8.922 10.709 6.718 1.00 0.64 H new ATOM 0 HB3 ARG A 24 -8.240 9.255 7.421 1.00 0.64 H new ATOM 0 HG2 ARG A 24 -9.237 11.491 9.198 1.00 0.76 H new ATOM 0 HG3 ARG A 24 -10.361 10.342 8.500 1.00 0.76 H new ATOM 0 HD2 ARG A 24 -9.894 8.903 10.174 1.00 1.50 H new ATOM 0 HD3 ARG A 24 -8.250 8.772 9.584 1.00 1.50 H new ATOM 0 HE ARG A 24 -7.511 10.134 11.316 1.00 2.69 H new ATOM 0 HH11 ARG A 24 -11.016 10.526 10.990 1.00 3.76 H new ATOM 0 HH12 ARG A 24 -11.168 11.424 12.503 1.00 3.76 H new ATOM 0 HH21 ARG A 24 -7.719 11.263 13.272 1.00 4.65 H new ATOM 0 HH22 ARG A 24 -9.306 11.841 13.792 1.00 4.65 H new ATOM 393 N ASP A 25 -5.331 9.349 8.226 1.00 0.43 N ATOM 394 CA ASP A 25 -4.340 8.637 9.009 1.00 0.42 C ATOM 395 C ASP A 25 -3.018 9.372 8.866 1.00 0.39 C ATOM 396 O ASP A 25 -2.340 9.279 7.844 1.00 0.43 O ATOM 397 CB ASP A 25 -4.180 7.189 8.512 1.00 0.56 C ATOM 398 CG ASP A 25 -5.024 6.171 9.278 1.00 1.11 C ATOM 399 OD1 ASP A 25 -5.528 6.542 10.363 1.00 2.25 O ATOM 400 OD2 ASP A 25 -5.061 5.010 8.815 1.00 2.19 O ATOM 0 H ASP A 25 -5.394 9.019 7.263 1.00 0.43 H new ATOM 0 HA ASP A 25 -4.656 8.600 10.051 1.00 0.42 H new ATOM 0 HB2 ASP A 25 -4.448 7.147 7.456 1.00 0.56 H new ATOM 0 HB3 ASP A 25 -3.130 6.904 8.586 1.00 0.56 H new ATOM 405 N LYS A 26 -2.588 10.054 9.930 1.00 0.41 N ATOM 406 CA LYS A 26 -1.258 10.656 9.968 1.00 0.44 C ATOM 407 C LYS A 26 -0.167 9.633 9.658 1.00 0.43 C ATOM 408 O LYS A 26 0.900 10.004 9.189 1.00 0.45 O ATOM 409 CB LYS A 26 -1.016 11.386 11.300 1.00 0.52 C ATOM 410 CG LYS A 26 -0.809 10.453 12.504 1.00 1.67 C ATOM 411 CD LYS A 26 0.671 10.113 12.744 1.00 3.41 C ATOM 412 CE LYS A 26 0.789 9.031 13.821 1.00 4.36 C ATOM 413 NZ LYS A 26 2.180 8.549 13.965 1.00 6.26 N ATOM 0 H LYS A 26 -3.142 10.202 10.774 1.00 0.41 H new ATOM 0 HA LYS A 26 -1.210 11.407 9.180 1.00 0.44 H new ATOM 0 HB2 LYS A 26 -0.140 12.026 11.196 1.00 0.52 H new ATOM 0 HB3 LYS A 26 -1.865 12.039 11.503 1.00 0.52 H new ATOM 0 HG2 LYS A 26 -1.219 10.924 13.398 1.00 1.67 H new ATOM 0 HG3 LYS A 26 -1.368 9.531 12.344 1.00 1.67 H new ATOM 0 HD2 LYS A 26 1.129 9.767 11.817 1.00 3.41 H new ATOM 0 HD3 LYS A 26 1.213 11.007 13.053 1.00 3.41 H new ATOM 0 HE2 LYS A 26 0.441 9.428 14.775 1.00 4.36 H new ATOM 0 HE3 LYS A 26 0.139 8.194 13.568 1.00 4.36 H new ATOM 0 HZ1 LYS A 26 2.219 7.818 14.703 1.00 6.26 H new ATOM 0 HZ2 LYS A 26 2.503 8.147 13.062 1.00 6.26 H new ATOM 0 HZ3 LYS A 26 2.797 9.343 14.231 1.00 6.26 H new ATOM 427 N PHE A 27 -0.412 8.355 9.951 1.00 0.44 N ATOM 428 CA PHE A 27 0.476 7.256 9.616 1.00 0.45 C ATOM 429 C PHE A 27 0.746 7.253 8.115 1.00 0.39 C ATOM 430 O PHE A 27 1.890 7.374 7.685 1.00 0.44 O ATOM 431 CB PHE A 27 -0.189 5.955 10.083 1.00 0.50 C ATOM 432 CG PHE A 27 0.684 4.726 9.969 1.00 0.51 C ATOM 433 CD1 PHE A 27 1.950 4.720 10.579 1.00 2.15 C ATOM 434 CD2 PHE A 27 0.224 3.579 9.295 1.00 1.60 C ATOM 435 CE1 PHE A 27 2.750 3.571 10.528 1.00 2.16 C ATOM 436 CE2 PHE A 27 1.024 2.424 9.250 1.00 1.60 C ATOM 437 CZ PHE A 27 2.282 2.420 9.875 1.00 0.57 C ATOM 0 H PHE A 27 -1.256 8.055 10.440 1.00 0.44 H new ATOM 0 HA PHE A 27 1.440 7.360 10.115 1.00 0.45 H new ATOM 0 HB2 PHE A 27 -0.495 6.072 11.123 1.00 0.50 H new ATOM 0 HB3 PHE A 27 -1.096 5.796 9.499 1.00 0.50 H new ATOM 0 HD1 PHE A 27 2.307 5.603 11.088 1.00 2.15 H new ATOM 0 HD2 PHE A 27 -0.742 3.586 8.813 1.00 1.60 H new ATOM 0 HE1 PHE A 27 3.726 3.571 10.991 1.00 2.16 H new ATOM 0 HE2 PHE A 27 0.672 1.542 8.736 1.00 1.60 H new ATOM 0 HZ PHE A 27 2.891 1.528 9.853 1.00 0.57 H new ATOM 447 N LEU A 28 -0.322 7.167 7.321 1.00 0.35 N ATOM 448 CA LEU A 28 -0.222 7.188 5.873 1.00 0.34 C ATOM 449 C LEU A 28 0.441 8.477 5.426 1.00 0.34 C ATOM 450 O LEU A 28 1.428 8.427 4.706 1.00 0.38 O ATOM 451 CB LEU A 28 -1.610 7.038 5.246 1.00 0.40 C ATOM 452 CG LEU A 28 -1.947 5.560 4.993 1.00 0.33 C ATOM 453 CD1 LEU A 28 -3.350 5.218 5.508 1.00 0.44 C ATOM 454 CD2 LEU A 28 -1.811 5.291 3.491 1.00 0.65 C ATOM 0 H LEU A 28 -1.277 7.081 7.669 1.00 0.35 H new ATOM 0 HA LEU A 28 0.390 6.350 5.540 1.00 0.34 H new ATOM 0 HB2 LEU A 28 -2.359 7.477 5.905 1.00 0.40 H new ATOM 0 HB3 LEU A 28 -1.649 7.589 4.306 1.00 0.40 H new ATOM 0 HG LEU A 28 -1.256 4.919 5.540 1.00 0.33 H new ATOM 0 HD11 LEU A 28 -3.562 4.166 5.316 1.00 0.44 H new ATOM 0 HD12 LEU A 28 -3.400 5.408 6.580 1.00 0.44 H new ATOM 0 HD13 LEU A 28 -4.087 5.836 4.995 1.00 0.44 H new ATOM 0 HD21 LEU A 28 -2.046 4.247 3.286 1.00 0.65 H new ATOM 0 HD22 LEU A 28 -2.501 5.932 2.943 1.00 0.65 H new ATOM 0 HD23 LEU A 28 -0.790 5.502 3.175 1.00 0.65 H new ATOM 466 N ARG A 29 -0.067 9.635 5.851 1.00 0.36 N ATOM 467 CA ARG A 29 0.510 10.918 5.470 1.00 0.38 C ATOM 468 C ARG A 29 1.972 11.057 5.857 1.00 0.34 C ATOM 469 O ARG A 29 2.666 11.818 5.201 1.00 0.37 O ATOM 470 CB ARG A 29 -0.285 12.112 6.004 1.00 0.56 C ATOM 471 CG ARG A 29 -1.552 12.314 5.171 1.00 1.21 C ATOM 472 CD ARG A 29 -1.974 13.785 5.128 1.00 1.36 C ATOM 473 NE ARG A 29 -2.776 14.129 6.303 1.00 2.29 N ATOM 474 CZ ARG A 29 -3.103 15.354 6.719 1.00 2.89 C ATOM 475 NH1 ARG A 29 -2.498 16.428 6.210 1.00 2.82 N ATOM 476 NH2 ARG A 29 -4.056 15.481 7.640 1.00 4.66 N ATOM 0 H ARG A 29 -0.881 9.707 6.462 1.00 0.36 H new ATOM 0 HA ARG A 29 0.450 10.929 4.382 1.00 0.38 H new ATOM 0 HB2 ARG A 29 -0.550 11.945 7.048 1.00 0.56 H new ATOM 0 HB3 ARG A 29 0.329 13.012 5.971 1.00 0.56 H new ATOM 0 HG2 ARG A 29 -1.381 11.955 4.156 1.00 1.21 H new ATOM 0 HG3 ARG A 29 -2.361 11.715 5.589 1.00 1.21 H new ATOM 0 HD2 ARG A 29 -1.090 14.421 5.087 1.00 1.36 H new ATOM 0 HD3 ARG A 29 -2.548 13.977 4.221 1.00 1.36 H new ATOM 0 HE ARG A 29 -3.122 13.350 6.863 1.00 2.29 H new ATOM 0 HH11 ARG A 29 -1.778 16.317 5.496 1.00 2.82 H new ATOM 0 HH12 ARG A 29 -2.755 17.360 6.535 1.00 2.82 H new ATOM 0 HH21 ARG A 29 -4.519 14.652 8.012 1.00 4.66 H new ATOM 0 HH22 ARG A 29 -4.323 16.407 7.973 1.00 4.66 H new ATOM 490 N SER A 30 2.460 10.374 6.887 1.00 0.33 N ATOM 491 CA SER A 30 3.874 10.435 7.215 1.00 0.37 C ATOM 492 C SER A 30 4.674 9.864 6.058 1.00 0.35 C ATOM 493 O SER A 30 5.701 10.418 5.672 1.00 0.43 O ATOM 494 CB SER A 30 4.133 9.647 8.506 1.00 0.42 C ATOM 495 OG SER A 30 5.458 9.816 8.964 1.00 1.47 O ATOM 0 H SER A 30 1.903 9.779 7.501 1.00 0.33 H new ATOM 0 HA SER A 30 4.182 11.468 7.378 1.00 0.37 H new ATOM 0 HB2 SER A 30 3.437 9.974 9.278 1.00 0.42 H new ATOM 0 HB3 SER A 30 3.941 8.588 8.331 1.00 0.42 H new ATOM 0 HG SER A 30 5.587 9.302 9.788 1.00 1.47 H new ATOM 501 N GLU A 31 4.212 8.744 5.511 1.00 0.34 N ATOM 502 CA GLU A 31 4.954 8.071 4.469 1.00 0.36 C ATOM 503 C GLU A 31 4.774 8.830 3.161 1.00 0.33 C ATOM 504 O GLU A 31 5.739 9.130 2.465 1.00 0.37 O ATOM 505 CB GLU A 31 4.454 6.631 4.365 1.00 0.52 C ATOM 506 CG GLU A 31 5.604 5.677 4.057 1.00 1.03 C ATOM 507 CD GLU A 31 6.639 5.543 5.173 1.00 1.45 C ATOM 508 OE1 GLU A 31 6.504 6.230 6.209 1.00 2.46 O ATOM 509 OE2 GLU A 31 7.577 4.749 4.935 1.00 2.62 O ATOM 0 H GLU A 31 3.336 8.293 5.773 1.00 0.34 H new ATOM 0 HA GLU A 31 6.019 8.047 4.698 1.00 0.36 H new ATOM 0 HB2 GLU A 31 3.975 6.340 5.300 1.00 0.52 H new ATOM 0 HB3 GLU A 31 3.698 6.560 3.583 1.00 0.52 H new ATOM 0 HG2 GLU A 31 5.192 4.691 3.842 1.00 1.03 H new ATOM 0 HG3 GLU A 31 6.108 6.017 3.152 1.00 1.03 H new ATOM 516 N ALA A 32 3.529 9.191 2.856 1.00 0.31 N ATOM 517 CA ALA A 32 3.170 9.911 1.651 1.00 0.33 C ATOM 518 C ALA A 32 3.891 11.260 1.600 1.00 0.36 C ATOM 519 O ALA A 32 4.310 11.696 0.531 1.00 0.40 O ATOM 520 CB ALA A 32 1.652 10.066 1.630 1.00 0.36 C ATOM 0 H ALA A 32 2.731 8.984 3.456 1.00 0.31 H new ATOM 0 HA ALA A 32 3.482 9.361 0.763 1.00 0.33 H new ATOM 0 HB1 ALA A 32 1.354 10.606 0.731 1.00 0.36 H new ATOM 0 HB2 ALA A 32 1.186 9.081 1.633 1.00 0.36 H new ATOM 0 HB3 ALA A 32 1.331 10.622 2.511 1.00 0.36 H new ATOM 526 N ALA A 33 4.111 11.902 2.753 1.00 0.38 N ATOM 527 CA ALA A 33 4.827 13.169 2.858 1.00 0.43 C ATOM 528 C ALA A 33 6.272 13.077 2.367 1.00 0.47 C ATOM 529 O ALA A 33 6.919 14.106 2.187 1.00 0.66 O ATOM 530 CB ALA A 33 4.780 13.685 4.302 1.00 0.49 C ATOM 0 H ALA A 33 3.789 11.545 3.653 1.00 0.38 H new ATOM 0 HA ALA A 33 4.320 13.877 2.202 1.00 0.43 H new ATOM 0 HB1 ALA A 33 5.318 14.631 4.368 1.00 0.49 H new ATOM 0 HB2 ALA A 33 3.743 13.835 4.601 1.00 0.49 H new ATOM 0 HB3 ALA A 33 5.246 12.956 4.964 1.00 0.49 H new ATOM 536 N LYS A 34 6.793 11.877 2.099 1.00 0.41 N ATOM 537 CA LYS A 34 8.133 11.740 1.557 1.00 0.46 C ATOM 538 C LYS A 34 8.121 11.989 0.050 1.00 0.54 C ATOM 539 O LYS A 34 9.157 12.357 -0.497 1.00 0.71 O ATOM 540 CB LYS A 34 8.706 10.352 1.903 1.00 0.50 C ATOM 541 CG LYS A 34 10.097 10.495 2.521 1.00 0.70 C ATOM 542 CD LYS A 34 9.998 11.149 3.910 1.00 1.17 C ATOM 543 CE LYS A 34 11.034 12.264 4.063 1.00 2.65 C ATOM 544 NZ LYS A 34 12.412 11.730 4.119 1.00 3.82 N ATOM 0 H LYS A 34 6.304 10.994 2.250 1.00 0.41 H new ATOM 0 HA LYS A 34 8.783 12.489 2.009 1.00 0.46 H new ATOM 0 HB2 LYS A 34 8.042 9.839 2.599 1.00 0.50 H new ATOM 0 HB3 LYS A 34 8.761 9.738 1.004 1.00 0.50 H new ATOM 0 HG2 LYS A 34 10.568 9.515 2.605 1.00 0.70 H new ATOM 0 HG3 LYS A 34 10.731 11.099 1.871 1.00 0.70 H new ATOM 0 HD2 LYS A 34 8.997 11.555 4.055 1.00 1.17 H new ATOM 0 HD3 LYS A 34 10.151 10.396 4.683 1.00 1.17 H new ATOM 0 HE2 LYS A 34 10.947 12.958 3.227 1.00 2.65 H new ATOM 0 HE3 LYS A 34 10.827 12.831 4.971 1.00 2.65 H new ATOM 0 HZ1 LYS A 34 13.085 12.516 4.223 1.00 3.82 H new ATOM 0 HZ2 LYS A 34 12.502 11.087 4.931 1.00 3.82 H new ATOM 0 HZ3 LYS A 34 12.619 11.211 3.242 1.00 3.82 H new ATOM 558 N ASN A 35 6.980 11.822 -0.627 1.00 0.48 N ATOM 559 CA ASN A 35 6.825 12.259 -2.010 1.00 0.54 C ATOM 560 C ASN A 35 5.363 12.456 -2.380 1.00 0.50 C ATOM 561 O ASN A 35 4.865 11.764 -3.260 1.00 0.59 O ATOM 562 CB ASN A 35 7.502 11.260 -2.955 1.00 0.66 C ATOM 563 CG ASN A 35 8.005 11.952 -4.212 1.00 0.98 C ATOM 564 OD1 ASN A 35 7.343 12.816 -4.772 1.00 2.06 O ATOM 565 ND2 ASN A 35 9.203 11.604 -4.659 1.00 1.71 N ATOM 0 H ASN A 35 6.148 11.384 -0.232 1.00 0.48 H new ATOM 0 HA ASN A 35 7.313 13.228 -2.114 1.00 0.54 H new ATOM 0 HB2 ASN A 35 8.335 10.777 -2.443 1.00 0.66 H new ATOM 0 HB3 ASN A 35 6.796 10.475 -3.226 1.00 0.66 H new ATOM 0 HD21 ASN A 35 9.591 12.059 -5.485 1.00 1.71 H new ATOM 0 HD22 ASN A 35 9.737 10.881 -4.177 1.00 1.71 H new ATOM 572 N VAL A 36 4.679 13.409 -1.743 1.00 0.51 N ATOM 573 CA VAL A 36 3.270 13.717 -1.977 1.00 0.55 C ATOM 574 C VAL A 36 2.361 12.537 -1.605 1.00 0.49 C ATOM 575 O VAL A 36 1.693 12.598 -0.576 1.00 0.49 O ATOM 576 CB VAL A 36 3.093 14.288 -3.402 1.00 0.65 C ATOM 577 CG1 VAL A 36 1.671 14.150 -3.942 1.00 0.78 C ATOM 578 CG2 VAL A 36 3.494 15.768 -3.393 1.00 0.68 C ATOM 0 H VAL A 36 5.104 14.003 -1.031 1.00 0.51 H new ATOM 0 HA VAL A 36 2.936 14.507 -1.304 1.00 0.55 H new ATOM 0 HB VAL A 36 3.733 13.705 -4.064 1.00 0.65 H new ATOM 0 HG11 VAL A 36 1.620 14.572 -4.946 1.00 0.78 H new ATOM 0 HG12 VAL A 36 1.396 13.096 -3.977 1.00 0.78 H new ATOM 0 HG13 VAL A 36 0.980 14.684 -3.289 1.00 0.78 H new ATOM 0 HG21 VAL A 36 3.374 16.184 -4.393 1.00 0.68 H new ATOM 0 HG22 VAL A 36 2.859 16.313 -2.695 1.00 0.68 H new ATOM 0 HG23 VAL A 36 4.535 15.861 -3.084 1.00 0.68 H new ATOM 588 N ASP A 37 2.308 11.501 -2.443 1.00 0.48 N ATOM 589 CA ASP A 37 1.622 10.223 -2.203 1.00 0.47 C ATOM 590 C ASP A 37 2.138 9.172 -3.205 1.00 0.49 C ATOM 591 O ASP A 37 1.403 8.322 -3.715 1.00 0.57 O ATOM 592 CB ASP A 37 0.099 10.426 -2.310 1.00 0.58 C ATOM 593 CG ASP A 37 -0.727 9.380 -1.557 1.00 1.11 C ATOM 594 OD1 ASP A 37 -0.127 8.559 -0.827 1.00 2.09 O ATOM 595 OD2 ASP A 37 -1.974 9.452 -1.700 1.00 1.98 O ATOM 0 H ASP A 37 2.764 11.528 -3.355 1.00 0.48 H new ATOM 0 HA ASP A 37 1.835 9.860 -1.198 1.00 0.47 H new ATOM 0 HB2 ASP A 37 -0.152 11.415 -1.928 1.00 0.58 H new ATOM 0 HB3 ASP A 37 -0.186 10.409 -3.362 1.00 0.58 H new ATOM 600 N ASN A 38 3.423 9.301 -3.560 1.00 0.48 N ATOM 601 CA ASN A 38 4.094 8.529 -4.598 1.00 0.53 C ATOM 602 C ASN A 38 5.120 7.566 -4.005 1.00 0.55 C ATOM 603 O ASN A 38 5.593 6.668 -4.698 1.00 0.72 O ATOM 604 CB ASN A 38 4.753 9.461 -5.629 1.00 0.58 C ATOM 605 CG ASN A 38 3.738 10.230 -6.471 1.00 1.21 C ATOM 606 OD1 ASN A 38 2.699 10.667 -5.990 1.00 2.57 O ATOM 607 ND2 ASN A 38 4.018 10.413 -7.755 1.00 1.79 N ATOM 0 H ASN A 38 4.043 9.975 -3.110 1.00 0.48 H new ATOM 0 HA ASN A 38 3.337 7.932 -5.107 1.00 0.53 H new ATOM 0 HB2 ASN A 38 5.398 10.170 -5.110 1.00 0.58 H new ATOM 0 HB3 ASN A 38 5.392 8.872 -6.287 1.00 0.58 H new ATOM 0 HD21 ASN A 38 3.366 10.922 -8.352 1.00 1.79 H new ATOM 0 HD22 ASN A 38 4.886 10.045 -8.145 1.00 1.79 H new ATOM 614 N TYR A 39 5.561 7.820 -2.769 1.00 0.50 N ATOM 615 CA TYR A 39 6.591 7.060 -2.082 1.00 0.56 C ATOM 616 C TYR A 39 5.946 6.618 -0.779 1.00 0.44 C ATOM 617 O TYR A 39 5.518 7.466 -0.003 1.00 0.52 O ATOM 618 CB TYR A 39 7.833 7.922 -1.793 1.00 0.73 C ATOM 619 CG TYR A 39 8.853 8.093 -2.916 1.00 1.34 C ATOM 620 CD1 TYR A 39 8.460 8.365 -4.240 1.00 2.65 C ATOM 621 CD2 TYR A 39 10.228 7.972 -2.624 1.00 2.15 C ATOM 622 CE1 TYR A 39 9.417 8.491 -5.262 1.00 3.28 C ATOM 623 CE2 TYR A 39 11.193 8.090 -3.640 1.00 2.72 C ATOM 624 CZ TYR A 39 10.788 8.345 -4.969 1.00 2.88 C ATOM 625 OH TYR A 39 11.702 8.471 -5.971 1.00 3.67 O ATOM 0 H TYR A 39 5.194 8.588 -2.207 1.00 0.50 H new ATOM 0 HA TYR A 39 6.936 6.222 -2.687 1.00 0.56 H new ATOM 0 HB2 TYR A 39 7.492 8.914 -1.496 1.00 0.73 H new ATOM 0 HB3 TYR A 39 8.348 7.491 -0.934 1.00 0.73 H new ATOM 0 HD1 TYR A 39 7.412 8.478 -4.473 1.00 2.65 H new ATOM 0 HD2 TYR A 39 10.543 7.786 -1.608 1.00 2.15 H new ATOM 0 HE1 TYR A 39 9.101 8.700 -6.273 1.00 3.28 H new ATOM 0 HE2 TYR A 39 12.242 7.986 -3.405 1.00 2.72 H new ATOM 0 HH TYR A 39 12.604 8.345 -5.609 1.00 3.67 H new ATOM 635 N ILE A 40 5.795 5.310 -0.582 1.00 0.33 N ATOM 636 CA ILE A 40 5.132 4.739 0.578 1.00 0.31 C ATOM 637 C ILE A 40 5.918 3.475 0.916 1.00 0.28 C ATOM 638 O ILE A 40 5.891 2.554 0.099 1.00 0.26 O ATOM 639 CB ILE A 40 3.655 4.426 0.244 1.00 0.35 C ATOM 640 CG1 ILE A 40 2.977 5.575 -0.531 1.00 0.42 C ATOM 641 CG2 ILE A 40 2.883 4.114 1.533 1.00 0.54 C ATOM 642 CD1 ILE A 40 1.531 5.278 -0.934 1.00 0.44 C ATOM 0 H ILE A 40 6.138 4.609 -1.238 1.00 0.33 H new ATOM 0 HA ILE A 40 5.115 5.422 1.427 1.00 0.31 H new ATOM 0 HB ILE A 40 3.640 3.552 -0.407 1.00 0.35 H new ATOM 0 HG12 ILE A 40 2.996 6.476 0.083 1.00 0.42 H new ATOM 0 HG13 ILE A 40 3.558 5.788 -1.428 1.00 0.42 H new ATOM 0 HG21 ILE A 40 1.843 3.894 1.290 1.00 0.54 H new ATOM 0 HG22 ILE A 40 3.331 3.251 2.025 1.00 0.54 H new ATOM 0 HG23 ILE A 40 2.926 4.975 2.200 1.00 0.54 H new ATOM 0 HD11 ILE A 40 1.121 6.131 -1.475 1.00 0.44 H new ATOM 0 HD12 ILE A 40 1.506 4.396 -1.575 1.00 0.44 H new ATOM 0 HD13 ILE A 40 0.935 5.094 -0.040 1.00 0.44 H new ATOM 654 N SER A 41 6.647 3.405 2.037 1.00 0.30 N ATOM 655 CA SER A 41 7.398 2.200 2.323 1.00 0.29 C ATOM 656 C SER A 41 6.456 1.024 2.510 1.00 0.30 C ATOM 657 O SER A 41 5.419 1.127 3.168 1.00 0.34 O ATOM 658 CB SER A 41 8.316 2.337 3.536 1.00 0.37 C ATOM 659 OG SER A 41 9.159 1.200 3.507 1.00 1.37 O ATOM 0 H SER A 41 6.726 4.147 2.733 1.00 0.30 H new ATOM 0 HA SER A 41 8.042 2.024 1.461 1.00 0.29 H new ATOM 0 HB2 SER A 41 8.898 3.257 3.485 1.00 0.37 H new ATOM 0 HB3 SER A 41 7.740 2.374 4.461 1.00 0.37 H new ATOM 0 HG SER A 41 9.419 0.962 4.421 1.00 1.37 H new ATOM 665 N ILE A 42 6.888 -0.133 2.011 1.00 0.29 N ATOM 666 CA ILE A 42 6.281 -1.400 2.370 1.00 0.31 C ATOM 667 C ILE A 42 6.268 -1.574 3.885 1.00 0.39 C ATOM 668 O ILE A 42 5.396 -2.273 4.377 1.00 0.62 O ATOM 669 CB ILE A 42 6.927 -2.569 1.603 1.00 0.33 C ATOM 670 CG1 ILE A 42 6.249 -3.921 1.898 1.00 2.09 C ATOM 671 CG2 ILE A 42 8.447 -2.637 1.815 1.00 2.05 C ATOM 672 CD1 ILE A 42 6.898 -4.743 3.019 1.00 2.45 C ATOM 0 H ILE A 42 7.663 -0.212 1.352 1.00 0.29 H new ATOM 0 HA ILE A 42 5.237 -1.401 2.058 1.00 0.31 H new ATOM 0 HB ILE A 42 6.761 -2.361 0.546 1.00 0.33 H new ATOM 0 HG12 ILE A 42 5.207 -3.738 2.159 1.00 2.09 H new ATOM 0 HG13 ILE A 42 6.249 -4.517 0.985 1.00 2.09 H new ATOM 0 HG21 ILE A 42 8.855 -3.478 1.254 1.00 2.05 H new ATOM 0 HG22 ILE A 42 8.905 -1.711 1.466 1.00 2.05 H new ATOM 0 HG23 ILE A 42 8.661 -2.771 2.875 1.00 2.05 H new ATOM 0 HD11 ILE A 42 6.349 -5.676 3.151 1.00 2.45 H new ATOM 0 HD12 ILE A 42 7.932 -4.964 2.756 1.00 2.45 H new ATOM 0 HD13 ILE A 42 6.874 -4.174 3.948 1.00 2.45 H new ATOM 684 N ASP A 43 7.153 -0.916 4.641 1.00 0.31 N ATOM 685 CA ASP A 43 7.143 -1.001 6.101 1.00 0.36 C ATOM 686 C ASP A 43 5.795 -0.561 6.667 1.00 0.36 C ATOM 687 O ASP A 43 5.252 -1.213 7.554 1.00 0.39 O ATOM 688 CB ASP A 43 8.257 -0.146 6.715 1.00 0.44 C ATOM 689 CG ASP A 43 9.633 -0.737 6.435 1.00 0.91 C ATOM 690 OD1 ASP A 43 9.967 -1.750 7.086 1.00 2.00 O ATOM 691 OD2 ASP A 43 10.317 -0.175 5.550 1.00 1.83 O ATOM 0 H ASP A 43 7.887 -0.317 4.262 1.00 0.31 H new ATOM 0 HA ASP A 43 7.315 -2.045 6.363 1.00 0.36 H new ATOM 0 HB2 ASP A 43 8.205 0.865 6.312 1.00 0.44 H new ATOM 0 HB3 ASP A 43 8.106 -0.068 7.792 1.00 0.44 H new ATOM 696 N VAL A 44 5.227 0.536 6.161 1.00 0.34 N ATOM 697 CA VAL A 44 3.964 1.072 6.632 1.00 0.36 C ATOM 698 C VAL A 44 2.862 0.055 6.362 1.00 0.39 C ATOM 699 O VAL A 44 2.011 -0.187 7.211 1.00 0.47 O ATOM 700 CB VAL A 44 3.737 2.440 5.957 1.00 0.38 C ATOM 701 CG1 VAL A 44 2.292 2.701 5.534 1.00 0.44 C ATOM 702 CG2 VAL A 44 4.208 3.537 6.911 1.00 0.46 C ATOM 0 H VAL A 44 5.643 1.078 5.403 1.00 0.34 H new ATOM 0 HA VAL A 44 3.964 1.244 7.708 1.00 0.36 H new ATOM 0 HB VAL A 44 4.314 2.438 5.032 1.00 0.38 H new ATOM 0 HG11 VAL A 44 2.221 3.684 5.068 1.00 0.44 H new ATOM 0 HG12 VAL A 44 1.978 1.938 4.821 1.00 0.44 H new ATOM 0 HG13 VAL A 44 1.645 2.667 6.410 1.00 0.44 H new ATOM 0 HG21 VAL A 44 4.054 4.512 6.449 1.00 0.46 H new ATOM 0 HG22 VAL A 44 3.638 3.482 7.839 1.00 0.46 H new ATOM 0 HG23 VAL A 44 5.268 3.401 7.127 1.00 0.46 H new ATOM 712 N ILE A 45 2.886 -0.565 5.187 1.00 0.41 N ATOM 713 CA ILE A 45 1.839 -1.470 4.741 1.00 0.50 C ATOM 714 C ILE A 45 1.941 -2.782 5.520 1.00 0.57 C ATOM 715 O ILE A 45 0.937 -3.376 5.902 1.00 0.68 O ATOM 716 CB ILE A 45 1.954 -1.673 3.216 1.00 0.56 C ATOM 717 CG1 ILE A 45 2.194 -0.347 2.448 1.00 0.54 C ATOM 718 CG2 ILE A 45 0.658 -2.307 2.697 1.00 0.66 C ATOM 719 CD1 ILE A 45 2.592 -0.564 0.987 1.00 0.73 C ATOM 0 H ILE A 45 3.642 -0.450 4.512 1.00 0.41 H new ATOM 0 HA ILE A 45 0.853 -1.050 4.938 1.00 0.50 H new ATOM 0 HB ILE A 45 2.815 -2.318 3.042 1.00 0.56 H new ATOM 0 HG12 ILE A 45 1.287 0.257 2.486 1.00 0.54 H new ATOM 0 HG13 ILE A 45 2.977 0.221 2.951 1.00 0.54 H new ATOM 0 HG21 ILE A 45 0.731 -2.454 1.619 1.00 0.66 H new ATOM 0 HG22 ILE A 45 0.503 -3.269 3.185 1.00 0.66 H new ATOM 0 HG23 ILE A 45 -0.183 -1.649 2.917 1.00 0.66 H new ATOM 0 HD11 ILE A 45 2.746 0.401 0.505 1.00 0.73 H new ATOM 0 HD12 ILE A 45 3.515 -1.142 0.943 1.00 0.73 H new ATOM 0 HD13 ILE A 45 1.800 -1.106 0.471 1.00 0.73 H new ATOM 731 N ALA A 46 3.159 -3.225 5.805 1.00 0.56 N ATOM 732 CA ALA A 46 3.410 -4.362 6.664 1.00 0.67 C ATOM 733 C ALA A 46 3.102 -4.009 8.122 1.00 0.75 C ATOM 734 O ALA A 46 2.886 -4.902 8.938 1.00 1.04 O ATOM 735 CB ALA A 46 4.863 -4.816 6.510 1.00 0.56 C ATOM 0 H ALA A 46 4.008 -2.795 5.438 1.00 0.56 H new ATOM 0 HA ALA A 46 2.755 -5.182 6.370 1.00 0.67 H new ATOM 0 HB1 ALA A 46 5.047 -5.672 7.159 1.00 0.56 H new ATOM 0 HB2 ALA A 46 5.048 -5.099 5.474 1.00 0.56 H new ATOM 0 HB3 ALA A 46 5.530 -4.000 6.788 1.00 0.56 H new ATOM 741 N SER A 47 3.072 -2.719 8.461 1.00 0.62 N ATOM 742 CA SER A 47 2.777 -2.245 9.802 1.00 0.70 C ATOM 743 C SER A 47 1.346 -1.698 9.901 1.00 0.71 C ATOM 744 O SER A 47 0.960 -1.214 10.961 1.00 0.83 O ATOM 745 CB SER A 47 3.829 -1.202 10.190 1.00 0.68 C ATOM 746 OG SER A 47 3.688 -0.802 11.541 1.00 0.96 O ATOM 0 H SER A 47 3.256 -1.967 7.796 1.00 0.62 H new ATOM 0 HA SER A 47 2.826 -3.074 10.508 1.00 0.70 H new ATOM 0 HB2 SER A 47 4.826 -1.613 10.033 1.00 0.68 H new ATOM 0 HB3 SER A 47 3.737 -0.332 9.540 1.00 0.68 H new ATOM 0 HG SER A 47 2.737 -0.777 11.777 1.00 0.96 H new ATOM 752 N PHE A 48 0.520 -1.832 8.855 1.00 0.65 N ATOM 753 CA PHE A 48 -0.884 -1.422 8.873 1.00 0.62 C ATOM 754 C PHE A 48 -1.721 -2.236 9.862 1.00 0.70 C ATOM 755 O PHE A 48 -2.899 -1.941 10.055 1.00 1.09 O ATOM 756 CB PHE A 48 -1.501 -1.601 7.470 1.00 0.59 C ATOM 757 CG PHE A 48 -1.709 -0.371 6.626 1.00 0.39 C ATOM 758 CD1 PHE A 48 -2.102 0.853 7.195 1.00 1.69 C ATOM 759 CD2 PHE A 48 -1.621 -0.508 5.230 1.00 1.64 C ATOM 760 CE1 PHE A 48 -2.373 1.948 6.363 1.00 1.57 C ATOM 761 CE2 PHE A 48 -1.888 0.586 4.397 1.00 1.86 C ATOM 762 CZ PHE A 48 -2.267 1.806 4.969 1.00 0.73 C ATOM 0 H PHE A 48 0.814 -2.233 7.964 1.00 0.65 H new ATOM 0 HA PHE A 48 -0.899 -0.377 9.183 1.00 0.62 H new ATOM 0 HB2 PHE A 48 -0.864 -2.286 6.910 1.00 0.59 H new ATOM 0 HB3 PHE A 48 -2.467 -2.091 7.590 1.00 0.59 H new ATOM 0 HD1 PHE A 48 -2.195 0.949 8.267 1.00 1.69 H new ATOM 0 HD2 PHE A 48 -1.347 -1.459 4.798 1.00 1.64 H new ATOM 0 HE1 PHE A 48 -2.662 2.896 6.791 1.00 1.57 H new ATOM 0 HE2 PHE A 48 -1.802 0.489 3.325 1.00 1.86 H new ATOM 0 HZ PHE A 48 -2.481 2.650 4.330 1.00 0.73 H new ATOM 772 N ASN A 49 -1.155 -3.309 10.418 1.00 0.57 N ATOM 773 CA ASN A 49 -1.852 -4.370 11.120 1.00 0.57 C ATOM 774 C ASN A 49 -2.691 -5.167 10.134 1.00 0.53 C ATOM 775 O ASN A 49 -2.294 -6.268 9.783 1.00 0.52 O ATOM 776 CB ASN A 49 -2.641 -3.869 12.335 1.00 0.73 C ATOM 777 CG ASN A 49 -2.776 -5.004 13.341 1.00 1.06 C ATOM 778 OD1 ASN A 49 -1.777 -5.564 13.775 1.00 1.50 O ATOM 779 ND2 ASN A 49 -3.986 -5.383 13.722 1.00 1.98 N ATOM 0 H ASN A 49 -0.147 -3.462 10.385 1.00 0.57 H new ATOM 0 HA ASN A 49 -1.111 -5.045 11.549 1.00 0.57 H new ATOM 0 HB2 ASN A 49 -2.131 -3.020 12.791 1.00 0.73 H new ATOM 0 HB3 ASN A 49 -3.627 -3.520 12.026 1.00 0.73 H new ATOM 0 HD21 ASN A 49 -4.095 -6.150 14.385 1.00 1.98 H new ATOM 0 HD22 ASN A 49 -4.809 -4.908 13.352 1.00 1.98 H new ATOM 786 N ARG A 50 -3.790 -4.606 9.624 1.00 0.58 N ATOM 787 CA ARG A 50 -4.764 -5.292 8.774 1.00 0.59 C ATOM 788 C ARG A 50 -4.094 -6.025 7.613 1.00 0.50 C ATOM 789 O ARG A 50 -4.387 -7.189 7.357 1.00 0.59 O ATOM 790 CB ARG A 50 -5.767 -4.257 8.248 1.00 0.70 C ATOM 791 CG ARG A 50 -7.112 -4.863 7.851 1.00 0.73 C ATOM 792 CD ARG A 50 -7.934 -3.770 7.163 1.00 0.71 C ATOM 793 NE ARG A 50 -9.326 -4.189 6.948 1.00 1.20 N ATOM 794 CZ ARG A 50 -10.314 -4.076 7.850 1.00 1.63 C ATOM 795 NH1 ARG A 50 -10.088 -3.494 9.031 1.00 2.69 N ATOM 796 NH2 ARG A 50 -11.532 -4.552 7.585 1.00 2.17 N ATOM 0 H ARG A 50 -4.033 -3.631 9.797 1.00 0.58 H new ATOM 0 HA ARG A 50 -5.277 -6.048 9.369 1.00 0.59 H new ATOM 0 HB2 ARG A 50 -5.930 -3.499 9.014 1.00 0.70 H new ATOM 0 HB3 ARG A 50 -5.336 -3.750 7.384 1.00 0.70 H new ATOM 0 HG2 ARG A 50 -6.966 -5.710 7.181 1.00 0.73 H new ATOM 0 HG3 ARG A 50 -7.636 -5.239 8.730 1.00 0.73 H new ATOM 0 HD2 ARG A 50 -7.916 -2.865 7.770 1.00 0.71 H new ATOM 0 HD3 ARG A 50 -7.477 -3.520 6.205 1.00 0.71 H new ATOM 0 HE ARG A 50 -9.560 -4.597 6.043 1.00 1.20 H new ATOM 0 HH11 ARG A 50 -9.160 -3.132 9.252 1.00 2.69 H new ATOM 0 HH12 ARG A 50 -10.843 -3.411 9.712 1.00 2.69 H new ATOM 0 HH21 ARG A 50 -11.719 -5.006 6.691 1.00 2.17 H new ATOM 0 HH22 ARG A 50 -12.276 -4.462 8.276 1.00 2.17 H new ATOM 810 N MET A 51 -3.195 -5.350 6.899 1.00 0.39 N ATOM 811 CA MET A 51 -2.471 -5.950 5.789 1.00 0.35 C ATOM 812 C MET A 51 -1.552 -7.049 6.290 1.00 0.32 C ATOM 813 O MET A 51 -1.491 -8.117 5.689 1.00 0.35 O ATOM 814 CB MET A 51 -1.701 -4.893 4.976 1.00 0.47 C ATOM 815 CG MET A 51 -2.278 -4.746 3.567 1.00 0.94 C ATOM 816 SD MET A 51 -4.059 -4.425 3.538 1.00 1.59 S ATOM 817 CE MET A 51 -4.629 -6.050 2.980 1.00 2.77 C ATOM 0 H MET A 51 -2.951 -4.375 7.076 1.00 0.39 H new ATOM 0 HA MET A 51 -3.199 -6.399 5.113 1.00 0.35 H new ATOM 0 HB2 MET A 51 -1.744 -3.933 5.491 1.00 0.47 H new ATOM 0 HB3 MET A 51 -0.650 -5.174 4.913 1.00 0.47 H new ATOM 0 HG2 MET A 51 -1.763 -3.932 3.056 1.00 0.94 H new ATOM 0 HG3 MET A 51 -2.073 -5.656 3.003 1.00 0.94 H new ATOM 0 HE1 MET A 51 -5.622 -6.246 3.385 1.00 2.77 H new ATOM 0 HE2 MET A 51 -4.672 -6.066 1.891 1.00 2.77 H new ATOM 0 HE3 MET A 51 -3.937 -6.817 3.328 1.00 2.77 H new ATOM 827 N LYS A 52 -0.855 -6.832 7.403 1.00 0.33 N ATOM 828 CA LYS A 52 -0.002 -7.860 7.969 1.00 0.35 C ATOM 829 C LYS A 52 -0.810 -9.091 8.358 1.00 0.40 C ATOM 830 O LYS A 52 -0.303 -10.203 8.278 1.00 0.50 O ATOM 831 CB LYS A 52 0.730 -7.313 9.191 1.00 0.46 C ATOM 832 CG LYS A 52 2.061 -8.049 9.352 1.00 0.73 C ATOM 833 CD LYS A 52 2.600 -7.832 10.761 1.00 1.61 C ATOM 834 CE LYS A 52 3.956 -8.531 10.879 1.00 1.78 C ATOM 835 NZ LYS A 52 4.389 -8.658 12.287 1.00 2.75 N ATOM 0 H LYS A 52 -0.867 -5.956 7.925 1.00 0.33 H new ATOM 0 HA LYS A 52 0.724 -8.154 7.211 1.00 0.35 H new ATOM 0 HB2 LYS A 52 0.904 -6.243 9.077 1.00 0.46 H new ATOM 0 HB3 LYS A 52 0.119 -7.443 10.084 1.00 0.46 H new ATOM 0 HG2 LYS A 52 1.924 -9.114 9.165 1.00 0.73 H new ATOM 0 HG3 LYS A 52 2.780 -7.686 8.617 1.00 0.73 H new ATOM 0 HD2 LYS A 52 2.705 -6.767 10.966 1.00 1.61 H new ATOM 0 HD3 LYS A 52 1.903 -8.231 11.498 1.00 1.61 H new ATOM 0 HE2 LYS A 52 3.895 -9.521 10.427 1.00 1.78 H new ATOM 0 HE3 LYS A 52 4.704 -7.970 10.318 1.00 1.78 H new ATOM 0 HZ1 LYS A 52 5.312 -9.137 12.325 1.00 2.75 H new ATOM 0 HZ2 LYS A 52 4.472 -7.712 12.711 1.00 2.75 H new ATOM 0 HZ3 LYS A 52 3.688 -9.215 12.817 1.00 2.75 H new ATOM 849 N THR A 53 -2.048 -8.919 8.808 1.00 0.41 N ATOM 850 CA THR A 53 -2.860 -10.022 9.272 1.00 0.54 C ATOM 851 C THR A 53 -3.446 -10.767 8.084 1.00 0.57 C ATOM 852 O THR A 53 -3.453 -11.992 8.091 1.00 0.72 O ATOM 853 CB THR A 53 -3.913 -9.502 10.258 1.00 0.66 C ATOM 854 OG1 THR A 53 -4.558 -8.335 9.802 1.00 0.68 O ATOM 855 CG2 THR A 53 -3.194 -9.129 11.552 1.00 0.71 C ATOM 0 H THR A 53 -2.510 -8.011 8.859 1.00 0.41 H new ATOM 0 HA THR A 53 -2.255 -10.747 9.817 1.00 0.54 H new ATOM 0 HB THR A 53 -4.660 -10.285 10.385 1.00 0.66 H new ATOM 0 HG1 THR A 53 -4.434 -8.250 8.834 1.00 0.68 H new ATOM 0 HG21 THR A 53 -3.918 -8.755 12.276 1.00 0.71 H new ATOM 0 HG22 THR A 53 -2.697 -10.010 11.959 1.00 0.71 H new ATOM 0 HG23 THR A 53 -2.453 -8.356 11.347 1.00 0.71 H new ATOM 863 N ILE A 54 -3.904 -10.051 7.051 1.00 0.49 N ATOM 864 CA ILE A 54 -4.497 -10.701 5.885 1.00 0.56 C ATOM 865 C ILE A 54 -3.401 -11.389 5.064 1.00 0.56 C ATOM 866 O ILE A 54 -3.654 -12.411 4.432 1.00 0.63 O ATOM 867 CB ILE A 54 -5.317 -9.681 5.062 1.00 0.56 C ATOM 868 CG1 ILE A 54 -6.520 -9.190 5.893 1.00 0.62 C ATOM 869 CG2 ILE A 54 -5.847 -10.303 3.758 1.00 0.75 C ATOM 870 CD1 ILE A 54 -7.169 -7.923 5.323 1.00 1.85 C ATOM 0 H ILE A 54 -3.875 -9.033 7.001 1.00 0.49 H new ATOM 0 HA ILE A 54 -5.195 -11.476 6.204 1.00 0.56 H new ATOM 0 HB ILE A 54 -4.656 -8.851 4.813 1.00 0.56 H new ATOM 0 HG12 ILE A 54 -7.267 -9.982 5.943 1.00 0.62 H new ATOM 0 HG13 ILE A 54 -6.193 -8.995 6.914 1.00 0.62 H new ATOM 0 HG21 ILE A 54 -6.419 -9.557 3.205 1.00 0.75 H new ATOM 0 HG22 ILE A 54 -5.009 -10.642 3.149 1.00 0.75 H new ATOM 0 HG23 ILE A 54 -6.490 -11.151 3.994 1.00 0.75 H new ATOM 0 HD11 ILE A 54 -8.009 -7.629 5.953 1.00 1.85 H new ATOM 0 HD12 ILE A 54 -6.435 -7.118 5.298 1.00 1.85 H new ATOM 0 HD13 ILE A 54 -7.525 -8.120 4.312 1.00 1.85 H new ATOM 882 N SER A 55 -2.192 -10.828 5.056 1.00 0.50 N ATOM 883 CA SER A 55 -1.083 -11.342 4.260 1.00 0.47 C ATOM 884 C SER A 55 -0.340 -12.406 5.033 1.00 0.57 C ATOM 885 O SER A 55 0.165 -13.359 4.449 1.00 0.66 O ATOM 886 CB SER A 55 -0.116 -10.203 3.897 1.00 0.42 C ATOM 887 OG SER A 55 0.605 -10.502 2.721 1.00 1.74 O ATOM 0 H SER A 55 -1.956 -10.001 5.604 1.00 0.50 H new ATOM 0 HA SER A 55 -1.485 -11.775 3.344 1.00 0.47 H new ATOM 0 HB2 SER A 55 -0.675 -9.278 3.759 1.00 0.42 H new ATOM 0 HB3 SER A 55 0.579 -10.036 4.720 1.00 0.42 H new ATOM 0 HG SER A 55 1.539 -10.691 2.949 1.00 1.74 H new ATOM 893 N THR A 56 -0.184 -12.180 6.334 1.00 0.60 N ATOM 894 CA THR A 56 0.583 -13.025 7.230 1.00 0.67 C ATOM 895 C THR A 56 2.069 -13.139 6.829 1.00 0.60 C ATOM 896 O THR A 56 2.838 -13.803 7.516 1.00 0.67 O ATOM 897 CB THR A 56 -0.166 -14.366 7.311 1.00 0.74 C ATOM 898 OG1 THR A 56 -1.531 -14.158 7.628 1.00 0.66 O ATOM 899 CG2 THR A 56 0.401 -15.318 8.365 1.00 1.04 C ATOM 0 H THR A 56 -0.603 -11.377 6.804 1.00 0.60 H new ATOM 0 HA THR A 56 0.647 -12.586 8.226 1.00 0.67 H new ATOM 0 HB THR A 56 -0.045 -14.819 6.327 1.00 0.74 H new ATOM 0 HG1 THR A 56 -1.992 -15.022 7.674 1.00 0.66 H new ATOM 0 HG21 THR A 56 -0.175 -16.243 8.367 1.00 1.04 H new ATOM 0 HG22 THR A 56 1.443 -15.540 8.132 1.00 1.04 H new ATOM 0 HG23 THR A 56 0.340 -14.851 9.348 1.00 1.04 H new ATOM 907 N ASP A 57 2.512 -12.475 5.755 1.00 0.63 N ATOM 908 CA ASP A 57 3.797 -12.706 5.129 1.00 0.50 C ATOM 909 C ASP A 57 4.120 -11.489 4.261 1.00 0.46 C ATOM 910 O ASP A 57 3.273 -11.033 3.487 1.00 0.44 O ATOM 911 CB ASP A 57 3.690 -13.962 4.259 1.00 0.57 C ATOM 912 CG ASP A 57 5.026 -14.323 3.623 1.00 0.71 C ATOM 913 OD1 ASP A 57 6.008 -13.596 3.896 1.00 1.49 O ATOM 914 OD2 ASP A 57 5.030 -15.285 2.830 1.00 1.88 O ATOM 0 H ASP A 57 1.966 -11.747 5.294 1.00 0.63 H new ATOM 0 HA ASP A 57 4.583 -12.849 5.870 1.00 0.50 H new ATOM 0 HB2 ASP A 57 3.339 -14.796 4.866 1.00 0.57 H new ATOM 0 HB3 ASP A 57 2.947 -13.801 3.478 1.00 0.57 H new ATOM 919 N LEU A 58 5.335 -10.952 4.383 1.00 0.48 N ATOM 920 CA LEU A 58 5.809 -9.827 3.591 1.00 0.46 C ATOM 921 C LEU A 58 6.021 -10.204 2.131 1.00 0.45 C ATOM 922 O LEU A 58 6.109 -9.325 1.280 1.00 0.48 O ATOM 923 CB LEU A 58 7.106 -9.245 4.175 1.00 0.59 C ATOM 924 CG LEU A 58 6.863 -8.469 5.478 1.00 0.70 C ATOM 925 CD1 LEU A 58 7.001 -9.349 6.724 1.00 1.09 C ATOM 926 CD2 LEU A 58 7.867 -7.318 5.598 1.00 1.09 C ATOM 0 H LEU A 58 6.026 -11.297 5.049 1.00 0.48 H new ATOM 0 HA LEU A 58 5.030 -9.066 3.632 1.00 0.46 H new ATOM 0 HB2 LEU A 58 7.812 -10.054 4.363 1.00 0.59 H new ATOM 0 HB3 LEU A 58 7.567 -8.583 3.442 1.00 0.59 H new ATOM 0 HG LEU A 58 5.840 -8.097 5.429 1.00 0.70 H new ATOM 0 HD11 LEU A 58 6.819 -8.749 7.615 1.00 1.09 H new ATOM 0 HD12 LEU A 58 6.275 -10.161 6.678 1.00 1.09 H new ATOM 0 HD13 LEU A 58 8.008 -9.765 6.766 1.00 1.09 H new ATOM 0 HD21 LEU A 58 7.687 -6.773 6.525 1.00 1.09 H new ATOM 0 HD22 LEU A 58 8.881 -7.719 5.603 1.00 1.09 H new ATOM 0 HD23 LEU A 58 7.748 -6.642 4.751 1.00 1.09 H new ATOM 938 N GLN A 59 6.090 -11.492 1.821 1.00 0.45 N ATOM 939 CA GLN A 59 6.214 -11.979 0.466 1.00 0.47 C ATOM 940 C GLN A 59 4.925 -11.660 -0.269 1.00 0.40 C ATOM 941 O GLN A 59 4.953 -11.034 -1.321 1.00 0.44 O ATOM 942 CB GLN A 59 6.487 -13.482 0.476 1.00 0.54 C ATOM 943 CG GLN A 59 6.865 -13.965 -0.930 1.00 0.72 C ATOM 944 CD GLN A 59 7.140 -15.466 -0.965 1.00 1.35 C ATOM 945 OE1 GLN A 59 8.089 -15.949 -0.360 1.00 2.01 O ATOM 946 NE2 GLN A 59 6.344 -16.228 -1.705 1.00 2.91 N ATOM 0 H GLN A 59 6.060 -12.234 2.520 1.00 0.45 H new ATOM 0 HA GLN A 59 7.049 -11.497 -0.042 1.00 0.47 H new ATOM 0 HB2 GLN A 59 7.293 -13.707 1.174 1.00 0.54 H new ATOM 0 HB3 GLN A 59 5.604 -14.016 0.826 1.00 0.54 H new ATOM 0 HG2 GLN A 59 6.058 -13.728 -1.624 1.00 0.72 H new ATOM 0 HG3 GLN A 59 7.749 -13.427 -1.273 1.00 0.72 H new ATOM 0 HE21 GLN A 59 5.558 -15.811 -2.203 1.00 2.91 H new ATOM 0 HE22 GLN A 59 6.519 -17.230 -1.776 1.00 2.91 H new ATOM 955 N LEU A 60 3.779 -12.063 0.281 1.00 0.37 N ATOM 956 CA LEU A 60 2.513 -11.798 -0.369 1.00 0.37 C ATOM 957 C LEU A 60 2.214 -10.308 -0.366 1.00 0.31 C ATOM 958 O LEU A 60 1.598 -9.817 -1.304 1.00 0.32 O ATOM 959 CB LEU A 60 1.396 -12.595 0.307 1.00 0.42 C ATOM 960 CG LEU A 60 1.056 -13.894 -0.437 1.00 0.70 C ATOM 961 CD1 LEU A 60 0.592 -13.651 -1.877 1.00 2.01 C ATOM 962 CD2 LEU A 60 2.230 -14.876 -0.410 1.00 2.13 C ATOM 0 H LEU A 60 3.710 -12.568 1.165 1.00 0.37 H new ATOM 0 HA LEU A 60 2.574 -12.120 -1.409 1.00 0.37 H new ATOM 0 HB2 LEU A 60 1.694 -12.834 1.328 1.00 0.42 H new ATOM 0 HB3 LEU A 60 0.502 -11.975 0.372 1.00 0.42 H new ATOM 0 HG LEU A 60 0.217 -14.339 0.098 1.00 0.70 H new ATOM 0 HD11 LEU A 60 0.366 -14.605 -2.352 1.00 2.01 H new ATOM 0 HD12 LEU A 60 -0.302 -13.028 -1.871 1.00 2.01 H new ATOM 0 HD13 LEU A 60 1.382 -13.146 -2.434 1.00 2.01 H new ATOM 0 HD21 LEU A 60 1.956 -15.785 -0.945 1.00 2.13 H new ATOM 0 HD22 LEU A 60 3.097 -14.420 -0.888 1.00 2.13 H new ATOM 0 HD23 LEU A 60 2.474 -15.123 0.623 1.00 2.13 H new ATOM 974 N ILE A 61 2.650 -9.567 0.654 1.00 0.28 N ATOM 975 CA ILE A 61 2.428 -8.127 0.664 1.00 0.28 C ATOM 976 C ILE A 61 3.235 -7.479 -0.465 1.00 0.29 C ATOM 977 O ILE A 61 2.730 -6.625 -1.194 1.00 0.29 O ATOM 978 CB ILE A 61 2.703 -7.546 2.072 1.00 0.34 C ATOM 979 CG1 ILE A 61 1.487 -6.734 2.546 1.00 0.44 C ATOM 980 CG2 ILE A 61 3.977 -6.698 2.212 1.00 0.46 C ATOM 981 CD1 ILE A 61 1.263 -5.453 1.736 1.00 0.80 C ATOM 0 H ILE A 61 3.148 -9.933 1.466 1.00 0.28 H new ATOM 0 HA ILE A 61 1.382 -7.895 0.462 1.00 0.28 H new ATOM 0 HB ILE A 61 2.876 -8.418 2.703 1.00 0.34 H new ATOM 0 HG12 ILE A 61 0.595 -7.357 2.482 1.00 0.44 H new ATOM 0 HG13 ILE A 61 1.619 -6.474 3.596 1.00 0.44 H new ATOM 0 HG21 ILE A 61 4.067 -6.344 3.239 1.00 0.46 H new ATOM 0 HG22 ILE A 61 4.847 -7.304 1.959 1.00 0.46 H new ATOM 0 HG23 ILE A 61 3.921 -5.844 1.537 1.00 0.46 H new ATOM 0 HD11 ILE A 61 0.390 -4.927 2.122 1.00 0.80 H new ATOM 0 HD12 ILE A 61 2.140 -4.811 1.820 1.00 0.80 H new ATOM 0 HD13 ILE A 61 1.100 -5.708 0.689 1.00 0.80 H new ATOM 993 N THR A 62 4.496 -7.879 -0.632 1.00 0.36 N ATOM 994 CA THR A 62 5.340 -7.220 -1.620 1.00 0.45 C ATOM 995 C THR A 62 4.931 -7.651 -3.020 1.00 0.41 C ATOM 996 O THR A 62 5.052 -6.873 -3.960 1.00 0.45 O ATOM 997 CB THR A 62 6.839 -7.403 -1.332 1.00 0.75 C ATOM 998 OG1 THR A 62 7.562 -6.412 -2.032 1.00 2.07 O ATOM 999 CG2 THR A 62 7.409 -8.768 -1.723 1.00 1.35 C ATOM 0 H THR A 62 4.943 -8.634 -0.111 1.00 0.36 H new ATOM 0 HA THR A 62 5.180 -6.144 -1.551 1.00 0.45 H new ATOM 0 HB THR A 62 6.943 -7.321 -0.250 1.00 0.75 H new ATOM 0 HG1 THR A 62 8.520 -6.519 -1.854 1.00 2.07 H new ATOM 0 HG21 THR A 62 8.471 -8.801 -1.482 1.00 1.35 H new ATOM 0 HG22 THR A 62 6.887 -9.551 -1.173 1.00 1.35 H new ATOM 0 HG23 THR A 62 7.275 -8.925 -2.793 1.00 1.35 H new ATOM 1007 N GLU A 63 4.452 -8.883 -3.169 1.00 0.41 N ATOM 1008 CA GLU A 63 3.967 -9.404 -4.432 1.00 0.43 C ATOM 1009 C GLU A 63 2.655 -8.728 -4.803 1.00 0.36 C ATOM 1010 O GLU A 63 2.428 -8.406 -5.966 1.00 0.41 O ATOM 1011 CB GLU A 63 3.815 -10.922 -4.331 1.00 0.62 C ATOM 1012 CG GLU A 63 3.400 -11.511 -5.680 1.00 0.74 C ATOM 1013 CD GLU A 63 3.429 -13.040 -5.654 1.00 1.33 C ATOM 1014 OE1 GLU A 63 2.871 -13.608 -4.690 1.00 2.11 O ATOM 1015 OE2 GLU A 63 4.007 -13.617 -6.600 1.00 2.21 O ATOM 0 H GLU A 63 4.391 -9.552 -2.402 1.00 0.41 H new ATOM 0 HA GLU A 63 4.683 -9.188 -5.224 1.00 0.43 H new ATOM 0 HB2 GLU A 63 4.756 -11.367 -4.008 1.00 0.62 H new ATOM 0 HB3 GLU A 63 3.070 -11.169 -3.575 1.00 0.62 H new ATOM 0 HG2 GLU A 63 2.397 -11.169 -5.935 1.00 0.74 H new ATOM 0 HG3 GLU A 63 4.069 -11.146 -6.459 1.00 0.74 H new ATOM 1022 N ALA A 64 1.801 -8.470 -3.812 1.00 0.34 N ATOM 1023 CA ALA A 64 0.552 -7.762 -4.053 1.00 0.38 C ATOM 1024 C ALA A 64 0.876 -6.409 -4.671 1.00 0.37 C ATOM 1025 O ALA A 64 0.307 -6.024 -5.688 1.00 0.47 O ATOM 1026 CB ALA A 64 -0.211 -7.584 -2.744 1.00 0.39 C ATOM 0 H ALA A 64 1.954 -8.741 -2.841 1.00 0.34 H new ATOM 0 HA ALA A 64 -0.077 -8.335 -4.734 1.00 0.38 H new ATOM 0 HB1 ALA A 64 -1.144 -7.053 -2.936 1.00 0.39 H new ATOM 0 HB2 ALA A 64 -0.431 -8.562 -2.315 1.00 0.39 H new ATOM 0 HB3 ALA A 64 0.396 -7.010 -2.044 1.00 0.39 H new ATOM 1032 N LEU A 65 1.835 -5.707 -4.065 1.00 0.29 N ATOM 1033 CA LEU A 65 2.283 -4.423 -4.560 1.00 0.27 C ATOM 1034 C LEU A 65 2.863 -4.575 -5.965 1.00 0.29 C ATOM 1035 O LEU A 65 2.576 -3.766 -6.848 1.00 0.33 O ATOM 1036 CB LEU A 65 3.303 -3.823 -3.590 1.00 0.25 C ATOM 1037 CG LEU A 65 2.635 -3.275 -2.324 1.00 0.30 C ATOM 1038 CD1 LEU A 65 3.690 -3.051 -1.240 1.00 0.40 C ATOM 1039 CD2 LEU A 65 1.936 -1.941 -2.612 1.00 0.31 C ATOM 0 H LEU A 65 2.316 -6.019 -3.221 1.00 0.29 H new ATOM 0 HA LEU A 65 1.436 -3.740 -4.625 1.00 0.27 H new ATOM 0 HB2 LEU A 65 4.033 -4.584 -3.315 1.00 0.25 H new ATOM 0 HB3 LEU A 65 3.850 -3.022 -4.088 1.00 0.25 H new ATOM 0 HG LEU A 65 1.896 -4.002 -1.988 1.00 0.30 H new ATOM 0 HD11 LEU A 65 3.211 -2.661 -0.342 1.00 0.40 H new ATOM 0 HD12 LEU A 65 4.181 -3.996 -1.009 1.00 0.40 H new ATOM 0 HD13 LEU A 65 4.431 -2.335 -1.596 1.00 0.40 H new ATOM 0 HD21 LEU A 65 1.469 -1.571 -1.700 1.00 0.31 H new ATOM 0 HD22 LEU A 65 2.669 -1.215 -2.965 1.00 0.31 H new ATOM 0 HD23 LEU A 65 1.173 -2.088 -3.376 1.00 0.31 H new ATOM 1051 N LYS A 66 3.672 -5.615 -6.183 1.00 0.31 N ATOM 1052 CA LYS A 66 4.308 -5.909 -7.465 1.00 0.40 C ATOM 1053 C LYS A 66 3.262 -6.012 -8.566 1.00 0.47 C ATOM 1054 O LYS A 66 3.520 -5.596 -9.692 1.00 0.57 O ATOM 1055 CB LYS A 66 5.129 -7.201 -7.351 1.00 0.40 C ATOM 1056 CG LYS A 66 6.147 -7.412 -8.480 1.00 0.76 C ATOM 1057 CD LYS A 66 7.397 -6.526 -8.338 1.00 2.14 C ATOM 1058 CE LYS A 66 7.360 -5.253 -9.193 1.00 3.47 C ATOM 1059 NZ LYS A 66 7.442 -5.553 -10.639 1.00 3.92 N ATOM 0 H LYS A 66 3.907 -6.290 -5.455 1.00 0.31 H new ATOM 0 HA LYS A 66 4.984 -5.095 -7.728 1.00 0.40 H new ATOM 0 HB2 LYS A 66 5.658 -7.197 -6.398 1.00 0.40 H new ATOM 0 HB3 LYS A 66 4.446 -8.050 -7.332 1.00 0.40 H new ATOM 0 HG2 LYS A 66 6.451 -8.459 -8.497 1.00 0.76 H new ATOM 0 HG3 LYS A 66 5.668 -7.204 -9.437 1.00 0.76 H new ATOM 0 HD2 LYS A 66 7.514 -6.245 -7.291 1.00 2.14 H new ATOM 0 HD3 LYS A 66 8.276 -7.109 -8.611 1.00 2.14 H new ATOM 0 HE2 LYS A 66 6.440 -4.706 -8.988 1.00 3.47 H new ATOM 0 HE3 LYS A 66 8.188 -4.602 -8.910 1.00 3.47 H new ATOM 0 HZ1 LYS A 66 7.668 -4.683 -11.162 1.00 3.92 H new ATOM 0 HZ2 LYS A 66 8.186 -6.260 -10.805 1.00 3.92 H new ATOM 0 HZ3 LYS A 66 6.529 -5.927 -10.968 1.00 3.92 H new ATOM 1073 N LYS A 67 2.102 -6.581 -8.238 1.00 0.47 N ATOM 1074 CA LYS A 67 0.999 -6.798 -9.157 1.00 0.55 C ATOM 1075 C LYS A 67 -0.157 -5.843 -8.841 1.00 0.48 C ATOM 1076 O LYS A 67 -1.310 -6.265 -8.922 1.00 0.61 O ATOM 1077 CB LYS A 67 0.567 -8.270 -9.035 1.00 0.71 C ATOM 1078 CG LYS A 67 -0.118 -8.774 -10.313 1.00 1.33 C ATOM 1079 CD LYS A 67 -1.064 -9.943 -10.016 1.00 1.74 C ATOM 1080 CE LYS A 67 -2.387 -9.407 -9.452 1.00 3.78 C ATOM 1081 NZ LYS A 67 -3.322 -10.502 -9.114 1.00 4.35 N ATOM 0 H LYS A 67 1.904 -6.912 -7.294 1.00 0.47 H new ATOM 0 HA LYS A 67 1.307 -6.593 -10.182 1.00 0.55 H new ATOM 0 HB2 LYS A 67 1.440 -8.888 -8.823 1.00 0.71 H new ATOM 0 HB3 LYS A 67 -0.114 -8.380 -8.191 1.00 0.71 H new ATOM 0 HG2 LYS A 67 -0.677 -7.959 -10.774 1.00 1.33 H new ATOM 0 HG3 LYS A 67 0.638 -9.089 -11.033 1.00 1.33 H new ATOM 0 HD2 LYS A 67 -1.250 -10.513 -10.926 1.00 1.74 H new ATOM 0 HD3 LYS A 67 -0.602 -10.625 -9.301 1.00 1.74 H new ATOM 0 HE2 LYS A 67 -2.188 -8.811 -8.561 1.00 3.78 H new ATOM 0 HE3 LYS A 67 -2.852 -8.744 -10.182 1.00 3.78 H new ATOM 0 HZ1 LYS A 67 -4.146 -10.113 -8.613 1.00 4.35 H new ATOM 0 HZ2 LYS A 67 -3.637 -10.971 -9.987 1.00 4.35 H new ATOM 0 HZ3 LYS A 67 -2.841 -11.193 -8.504 1.00 4.35 H new ATOM 1095 N SER A 68 0.120 -4.590 -8.452 1.00 0.39 N ATOM 1096 CA SER A 68 -0.932 -3.670 -8.053 1.00 0.41 C ATOM 1097 C SER A 68 -1.875 -3.322 -9.209 1.00 0.44 C ATOM 1098 O SER A 68 -1.616 -3.641 -10.367 1.00 0.60 O ATOM 1099 CB SER A 68 -0.347 -2.385 -7.470 1.00 0.46 C ATOM 1100 OG SER A 68 0.128 -2.561 -6.161 1.00 1.92 O ATOM 0 H SER A 68 1.062 -4.201 -8.408 1.00 0.39 H new ATOM 0 HA SER A 68 -1.513 -4.185 -7.288 1.00 0.41 H new ATOM 0 HB2 SER A 68 0.467 -2.038 -8.106 1.00 0.46 H new ATOM 0 HB3 SER A 68 -1.110 -1.606 -7.476 1.00 0.46 H new ATOM 0 HG SER A 68 1.068 -2.838 -6.188 1.00 1.92 H new ATOM 1106 N THR A 69 -2.983 -2.650 -8.873 1.00 0.45 N ATOM 1107 CA THR A 69 -4.104 -2.407 -9.767 1.00 0.49 C ATOM 1108 C THR A 69 -4.364 -0.899 -9.865 1.00 0.48 C ATOM 1109 O THR A 69 -4.132 -0.311 -10.918 1.00 0.69 O ATOM 1110 CB THR A 69 -5.291 -3.299 -9.339 1.00 0.65 C ATOM 1111 OG1 THR A 69 -6.328 -3.231 -10.292 1.00 1.04 O ATOM 1112 CG2 THR A 69 -5.867 -3.013 -7.939 1.00 0.67 C ATOM 0 H THR A 69 -3.121 -2.252 -7.944 1.00 0.45 H new ATOM 0 HA THR A 69 -3.897 -2.704 -10.795 1.00 0.49 H new ATOM 0 HB THR A 69 -4.869 -4.302 -9.284 1.00 0.65 H new ATOM 0 HG1 THR A 69 -7.072 -3.802 -10.008 1.00 1.04 H new ATOM 0 HG21 THR A 69 -6.694 -3.694 -7.740 1.00 0.67 H new ATOM 0 HG22 THR A 69 -5.089 -3.157 -7.189 1.00 0.67 H new ATOM 0 HG23 THR A 69 -6.226 -1.985 -7.896 1.00 0.67 H new ATOM 1120 N ARG A 70 -4.785 -0.226 -8.787 1.00 0.47 N ATOM 1121 CA ARG A 70 -4.939 1.232 -8.813 1.00 0.57 C ATOM 1122 C ARG A 70 -3.646 1.977 -8.498 1.00 0.48 C ATOM 1123 O ARG A 70 -3.628 3.200 -8.613 1.00 0.53 O ATOM 1124 CB ARG A 70 -6.004 1.658 -7.797 1.00 0.75 C ATOM 1125 CG ARG A 70 -7.418 1.353 -8.292 1.00 1.37 C ATOM 1126 CD ARG A 70 -7.877 2.400 -9.302 1.00 1.98 C ATOM 1127 NE ARG A 70 -9.141 2.022 -9.946 1.00 2.83 N ATOM 1128 CZ ARG A 70 -9.999 2.873 -10.521 1.00 3.80 C ATOM 1129 NH1 ARG A 70 -9.807 4.190 -10.432 1.00 4.45 N ATOM 1130 NH2 ARG A 70 -11.051 2.402 -11.192 1.00 4.79 N ATOM 0 H ARG A 70 -5.022 -0.662 -7.896 1.00 0.47 H new ATOM 0 HA ARG A 70 -5.234 1.493 -9.829 1.00 0.57 H new ATOM 0 HB2 ARG A 70 -5.831 1.143 -6.852 1.00 0.75 H new ATOM 0 HB3 ARG A 70 -5.911 2.726 -7.600 1.00 0.75 H new ATOM 0 HG2 ARG A 70 -7.442 0.364 -8.750 1.00 1.37 H new ATOM 0 HG3 ARG A 70 -8.107 1.330 -7.447 1.00 1.37 H new ATOM 0 HD2 ARG A 70 -7.998 3.360 -8.800 1.00 1.98 H new ATOM 0 HD3 ARG A 70 -7.108 2.533 -10.063 1.00 1.98 H new ATOM 0 HE ARG A 70 -9.385 1.032 -9.956 1.00 2.83 H new ATOM 0 HH11 ARG A 70 -9.002 4.555 -9.923 1.00 4.45 H new ATOM 0 HH12 ARG A 70 -10.465 4.832 -10.873 1.00 4.45 H new ATOM 0 HH21 ARG A 70 -11.200 1.396 -11.266 1.00 4.79 H new ATOM 0 HH22 ARG A 70 -11.707 3.048 -11.631 1.00 4.79 H new ATOM 1144 N LEU A 71 -2.596 1.291 -8.048 1.00 0.44 N ATOM 1145 CA LEU A 71 -1.344 1.903 -7.655 1.00 0.37 C ATOM 1146 C LEU A 71 -0.241 1.159 -8.409 1.00 0.37 C ATOM 1147 O LEU A 71 -0.475 0.048 -8.884 1.00 0.57 O ATOM 1148 CB LEU A 71 -1.154 1.827 -6.121 1.00 0.40 C ATOM 1149 CG LEU A 71 -2.395 1.611 -5.232 1.00 0.64 C ATOM 1150 CD1 LEU A 71 -1.933 1.293 -3.807 1.00 1.07 C ATOM 1151 CD2 LEU A 71 -3.302 2.842 -5.146 1.00 1.23 C ATOM 0 H LEU A 71 -2.600 0.276 -7.948 1.00 0.44 H new ATOM 0 HA LEU A 71 -1.321 2.963 -7.906 1.00 0.37 H new ATOM 0 HB2 LEU A 71 -0.454 1.017 -5.914 1.00 0.40 H new ATOM 0 HB3 LEU A 71 -0.675 2.752 -5.801 1.00 0.40 H new ATOM 0 HG LEU A 71 -2.963 0.798 -5.685 1.00 0.64 H new ATOM 0 HD11 LEU A 71 -2.803 1.138 -3.169 1.00 1.07 H new ATOM 0 HD12 LEU A 71 -1.323 0.389 -3.815 1.00 1.07 H new ATOM 0 HD13 LEU A 71 -1.343 2.125 -3.421 1.00 1.07 H new ATOM 0 HD21 LEU A 71 -4.156 2.621 -4.505 1.00 1.23 H new ATOM 0 HD22 LEU A 71 -2.742 3.678 -4.728 1.00 1.23 H new ATOM 0 HD23 LEU A 71 -3.655 3.104 -6.143 1.00 1.23 H new ATOM 1163 N GLN A 72 0.967 1.716 -8.492 1.00 0.31 N ATOM 1164 CA GLN A 72 2.098 1.057 -9.135 1.00 0.35 C ATOM 1165 C GLN A 72 3.279 1.100 -8.183 1.00 0.31 C ATOM 1166 O GLN A 72 3.676 2.177 -7.742 1.00 0.29 O ATOM 1167 CB GLN A 72 2.475 1.740 -10.460 1.00 0.52 C ATOM 1168 CG GLN A 72 1.619 1.291 -11.652 1.00 1.22 C ATOM 1169 CD GLN A 72 0.400 2.180 -11.897 1.00 2.69 C ATOM 1170 OE1 GLN A 72 -0.352 2.513 -10.993 1.00 4.09 O ATOM 1171 NE2 GLN A 72 0.187 2.601 -13.137 1.00 3.26 N ATOM 0 H GLN A 72 1.187 2.638 -8.114 1.00 0.31 H new ATOM 0 HA GLN A 72 1.822 0.028 -9.365 1.00 0.35 H new ATOM 0 HB2 GLN A 72 2.380 2.819 -10.342 1.00 0.52 H new ATOM 0 HB3 GLN A 72 3.523 1.535 -10.679 1.00 0.52 H new ATOM 0 HG2 GLN A 72 2.237 1.281 -12.550 1.00 1.22 H new ATOM 0 HG3 GLN A 72 1.284 0.267 -11.484 1.00 1.22 H new ATOM 0 HE21 GLN A 72 0.819 2.319 -13.887 1.00 3.26 H new ATOM 0 HE22 GLN A 72 -0.608 3.206 -13.341 1.00 3.26 H new ATOM 1180 N VAL A 73 3.863 -0.058 -7.881 1.00 0.35 N ATOM 1181 CA VAL A 73 5.045 -0.132 -7.044 1.00 0.30 C ATOM 1182 C VAL A 73 6.267 -0.039 -7.948 1.00 0.35 C ATOM 1183 O VAL A 73 6.238 -0.479 -9.097 1.00 0.45 O ATOM 1184 CB VAL A 73 5.019 -1.409 -6.187 1.00 0.40 C ATOM 1185 CG1 VAL A 73 5.415 -2.663 -6.967 1.00 0.69 C ATOM 1186 CG2 VAL A 73 5.936 -1.302 -4.966 1.00 0.89 C ATOM 0 H VAL A 73 3.528 -0.963 -8.211 1.00 0.35 H new ATOM 0 HA VAL A 73 5.079 0.696 -6.336 1.00 0.30 H new ATOM 0 HB VAL A 73 3.981 -1.504 -5.867 1.00 0.40 H new ATOM 0 HG11 VAL A 73 5.377 -3.529 -6.307 1.00 0.69 H new ATOM 0 HG12 VAL A 73 4.724 -2.809 -7.797 1.00 0.69 H new ATOM 0 HG13 VAL A 73 6.427 -2.546 -7.354 1.00 0.69 H new ATOM 0 HG21 VAL A 73 5.885 -2.226 -4.391 1.00 0.89 H new ATOM 0 HG22 VAL A 73 6.962 -1.135 -5.295 1.00 0.89 H new ATOM 0 HG23 VAL A 73 5.615 -0.468 -4.342 1.00 0.89 H new ATOM 1196 N SER A 74 7.332 0.552 -7.422 1.00 0.38 N ATOM 1197 CA SER A 74 8.638 0.551 -8.039 1.00 0.49 C ATOM 1198 C SER A 74 9.181 -0.869 -8.063 1.00 0.86 C ATOM 1199 O SER A 74 8.731 -1.741 -7.320 1.00 1.07 O ATOM 1200 CB SER A 74 9.552 1.502 -7.259 1.00 0.93 C ATOM 1201 OG SER A 74 10.855 1.521 -7.805 1.00 1.53 O ATOM 0 H SER A 74 7.304 1.055 -6.535 1.00 0.38 H new ATOM 0 HA SER A 74 8.583 0.901 -9.070 1.00 0.49 H new ATOM 0 HB2 SER A 74 9.133 2.508 -7.276 1.00 0.93 H new ATOM 0 HB3 SER A 74 9.597 1.193 -6.215 1.00 0.93 H new ATOM 0 HG SER A 74 11.417 2.137 -7.290 1.00 1.53 H new ATOM 1207 N GLU A 75 10.207 -1.080 -8.875 1.00 1.13 N ATOM 1208 CA GLU A 75 10.953 -2.320 -8.937 1.00 1.67 C ATOM 1209 C GLU A 75 11.539 -2.652 -7.563 1.00 1.40 C ATOM 1210 O GLU A 75 11.767 -3.822 -7.266 1.00 1.74 O ATOM 1211 CB GLU A 75 12.051 -2.234 -10.010 1.00 2.24 C ATOM 1212 CG GLU A 75 11.498 -2.029 -11.431 1.00 2.78 C ATOM 1213 CD GLU A 75 11.260 -0.554 -11.780 1.00 3.03 C ATOM 1214 OE1 GLU A 75 10.172 -0.042 -11.428 1.00 3.82 O ATOM 1215 OE2 GLU A 75 12.174 0.049 -12.378 1.00 3.43 O ATOM 0 H GLU A 75 10.549 -0.372 -9.525 1.00 1.13 H new ATOM 0 HA GLU A 75 10.277 -3.127 -9.219 1.00 1.67 H new ATOM 0 HB2 GLU A 75 12.723 -1.411 -9.767 1.00 2.24 H new ATOM 0 HB3 GLU A 75 12.644 -3.148 -9.987 1.00 2.24 H new ATOM 0 HG2 GLU A 75 12.195 -2.458 -12.151 1.00 2.78 H new ATOM 0 HG3 GLU A 75 10.560 -2.575 -11.531 1.00 2.78 H new ATOM 1222 N ASP A 76 11.760 -1.644 -6.710 1.00 0.94 N ATOM 1223 CA ASP A 76 12.323 -1.862 -5.386 1.00 0.82 C ATOM 1224 C ASP A 76 11.298 -2.492 -4.440 1.00 0.74 C ATOM 1225 O ASP A 76 11.653 -3.046 -3.403 1.00 0.81 O ATOM 1226 CB ASP A 76 12.814 -0.530 -4.812 1.00 0.87 C ATOM 1227 CG ASP A 76 13.854 -0.773 -3.719 1.00 1.60 C ATOM 1228 OD1 ASP A 76 14.978 -1.169 -4.090 1.00 2.35 O ATOM 1229 OD2 ASP A 76 13.519 -0.552 -2.533 1.00 2.62 O ATOM 0 H ASP A 76 11.554 -0.668 -6.921 1.00 0.94 H new ATOM 0 HA ASP A 76 13.160 -2.554 -5.481 1.00 0.82 H new ATOM 0 HB2 ASP A 76 13.247 0.078 -5.606 1.00 0.87 H new ATOM 0 HB3 ASP A 76 11.972 0.030 -4.404 1.00 0.87 H new ATOM 1234 N GLY A 77 10.000 -2.341 -4.733 1.00 0.66 N ATOM 1235 CA GLY A 77 8.938 -2.773 -3.827 1.00 0.65 C ATOM 1236 C GLY A 77 8.730 -1.811 -2.659 1.00 0.85 C ATOM 1237 O GLY A 77 7.698 -1.871 -1.996 1.00 1.68 O ATOM 0 H GLY A 77 9.662 -1.919 -5.598 1.00 0.66 H new ATOM 0 HA2 GLY A 77 8.006 -2.867 -4.385 1.00 0.65 H new ATOM 0 HA3 GLY A 77 9.178 -3.763 -3.439 1.00 0.65 H new ATOM 1241 N LYS A 78 9.683 -0.913 -2.391 1.00 0.49 N ATOM 1242 CA LYS A 78 9.626 -0.056 -1.217 1.00 0.53 C ATOM 1243 C LYS A 78 8.919 1.256 -1.488 1.00 0.41 C ATOM 1244 O LYS A 78 8.818 2.063 -0.575 1.00 0.42 O ATOM 1245 CB LYS A 78 11.030 0.206 -0.667 1.00 0.67 C ATOM 1246 CG LYS A 78 11.613 -1.103 -0.133 1.00 1.03 C ATOM 1247 CD LYS A 78 12.829 -0.857 0.760 1.00 1.26 C ATOM 1248 CE LYS A 78 13.025 -2.072 1.668 1.00 1.80 C ATOM 1249 NZ LYS A 78 13.205 -3.311 0.883 1.00 2.75 N ATOM 0 H LYS A 78 10.504 -0.765 -2.978 1.00 0.49 H new ATOM 0 HA LYS A 78 9.041 -0.591 -0.469 1.00 0.53 H new ATOM 0 HB2 LYS A 78 11.671 0.611 -1.450 1.00 0.67 H new ATOM 0 HB3 LYS A 78 10.989 0.951 0.128 1.00 0.67 H new ATOM 0 HG2 LYS A 78 10.849 -1.638 0.431 1.00 1.03 H new ATOM 0 HG3 LYS A 78 11.898 -1.742 -0.969 1.00 1.03 H new ATOM 0 HD2 LYS A 78 13.718 -0.693 0.151 1.00 1.26 H new ATOM 0 HD3 LYS A 78 12.683 0.042 1.358 1.00 1.26 H new ATOM 0 HE2 LYS A 78 13.895 -1.914 2.306 1.00 1.80 H new ATOM 0 HE3 LYS A 78 12.163 -2.179 2.326 1.00 1.80 H new ATOM 0 HZ1 LYS A 78 13.567 -4.064 1.502 1.00 2.75 H new ATOM 0 HZ2 LYS A 78 12.292 -3.603 0.480 1.00 2.75 H new ATOM 0 HZ3 LYS A 78 13.883 -3.139 0.114 1.00 2.75 H new ATOM 1263 N MET A 79 8.406 1.495 -2.692 1.00 0.34 N ATOM 1264 CA MET A 79 7.554 2.654 -2.879 1.00 0.28 C ATOM 1265 C MET A 79 6.451 2.323 -3.851 1.00 0.29 C ATOM 1266 O MET A 79 6.697 1.623 -4.824 1.00 0.33 O ATOM 1267 CB MET A 79 8.367 3.850 -3.390 1.00 0.36 C ATOM 1268 CG MET A 79 9.142 4.540 -2.268 1.00 1.48 C ATOM 1269 SD MET A 79 10.841 3.976 -1.989 1.00 2.19 S ATOM 1270 CE MET A 79 11.015 4.521 -0.270 1.00 3.18 C ATOM 0 H MET A 79 8.560 0.922 -3.522 1.00 0.34 H new ATOM 0 HA MET A 79 7.118 2.924 -1.917 1.00 0.28 H new ATOM 0 HB2 MET A 79 9.064 3.513 -4.157 1.00 0.36 H new ATOM 0 HB3 MET A 79 7.697 4.568 -3.862 1.00 0.36 H new ATOM 0 HG2 MET A 79 9.168 5.609 -2.480 1.00 1.48 H new ATOM 0 HG3 MET A 79 8.584 4.412 -1.340 1.00 1.48 H new ATOM 0 HE1 MET A 79 12.009 4.263 0.095 1.00 3.18 H new ATOM 0 HE2 MET A 79 10.877 5.601 -0.215 1.00 3.18 H new ATOM 0 HE3 MET A 79 10.263 4.028 0.346 1.00 3.18 H new ATOM 1280 N VAL A 80 5.256 2.850 -3.609 1.00 0.34 N ATOM 1281 CA VAL A 80 4.110 2.666 -4.470 1.00 0.32 C ATOM 1282 C VAL A 80 3.437 4.016 -4.628 1.00 0.33 C ATOM 1283 O VAL A 80 3.404 4.808 -3.692 1.00 0.44 O ATOM 1284 CB VAL A 80 3.193 1.567 -3.901 1.00 0.38 C ATOM 1285 CG1 VAL A 80 2.907 1.753 -2.408 1.00 1.24 C ATOM 1286 CG2 VAL A 80 1.859 1.484 -4.642 1.00 1.41 C ATOM 0 H VAL A 80 5.060 3.427 -2.791 1.00 0.34 H new ATOM 0 HA VAL A 80 4.394 2.316 -5.462 1.00 0.32 H new ATOM 0 HB VAL A 80 3.745 0.638 -4.044 1.00 0.38 H new ATOM 0 HG11 VAL A 80 2.256 0.951 -2.060 1.00 1.24 H new ATOM 0 HG12 VAL A 80 3.844 1.727 -1.852 1.00 1.24 H new ATOM 0 HG13 VAL A 80 2.417 2.713 -2.248 1.00 1.24 H new ATOM 0 HG21 VAL A 80 1.248 0.695 -4.204 1.00 1.41 H new ATOM 0 HG22 VAL A 80 1.336 2.437 -4.558 1.00 1.41 H new ATOM 0 HG23 VAL A 80 2.040 1.261 -5.694 1.00 1.41 H new ATOM 1296 N ARG A 81 2.916 4.274 -5.826 1.00 0.29 N ATOM 1297 CA ARG A 81 2.290 5.540 -6.160 1.00 0.34 C ATOM 1298 C ARG A 81 0.833 5.307 -6.508 1.00 0.32 C ATOM 1299 O ARG A 81 0.514 4.372 -7.240 1.00 0.34 O ATOM 1300 CB ARG A 81 3.070 6.224 -7.291 1.00 0.49 C ATOM 1301 CG ARG A 81 3.017 5.465 -8.632 1.00 1.44 C ATOM 1302 CD ARG A 81 4.406 5.222 -9.239 1.00 1.83 C ATOM 1303 NE ARG A 81 4.434 5.533 -10.676 1.00 2.58 N ATOM 1304 CZ ARG A 81 5.374 5.128 -11.541 1.00 3.29 C ATOM 1305 NH1 ARG A 81 6.332 4.288 -11.148 1.00 3.84 N ATOM 1306 NH2 ARG A 81 5.352 5.572 -12.798 1.00 3.98 N ATOM 0 H ARG A 81 2.919 3.602 -6.593 1.00 0.29 H new ATOM 0 HA ARG A 81 2.315 6.215 -5.304 1.00 0.34 H new ATOM 0 HB2 ARG A 81 2.673 7.229 -7.437 1.00 0.49 H new ATOM 0 HB3 ARG A 81 4.111 6.333 -6.987 1.00 0.49 H new ATOM 0 HG2 ARG A 81 2.520 4.507 -8.481 1.00 1.44 H new ATOM 0 HG3 ARG A 81 2.411 6.031 -9.340 1.00 1.44 H new ATOM 0 HD2 ARG A 81 5.142 5.835 -8.720 1.00 1.83 H new ATOM 0 HD3 ARG A 81 4.693 4.182 -9.086 1.00 1.83 H new ATOM 0 HE ARG A 81 3.674 6.105 -11.045 1.00 2.58 H new ATOM 0 HH11 ARG A 81 6.351 3.951 -10.185 1.00 3.84 H new ATOM 0 HH12 ARG A 81 7.045 3.982 -11.810 1.00 3.84 H new ATOM 0 HH21 ARG A 81 4.622 6.218 -13.098 1.00 3.98 H new ATOM 0 HH22 ARG A 81 6.066 5.266 -13.459 1.00 3.98 H new ATOM 1320 N ARG A 82 -0.054 6.126 -5.953 1.00 0.45 N ATOM 1321 CA ARG A 82 -1.478 6.044 -6.253 1.00 0.53 C ATOM 1322 C ARG A 82 -1.790 6.740 -7.576 1.00 0.51 C ATOM 1323 O ARG A 82 -0.886 7.209 -8.265 1.00 0.64 O ATOM 1324 CB ARG A 82 -2.256 6.616 -5.065 1.00 0.84 C ATOM 1325 CG ARG A 82 -1.953 8.094 -4.783 1.00 1.12 C ATOM 1326 CD ARG A 82 -3.007 9.058 -5.329 1.00 1.65 C ATOM 1327 NE ARG A 82 -3.331 10.072 -4.321 1.00 1.94 N ATOM 1328 CZ ARG A 82 -2.780 11.282 -4.195 1.00 3.12 C ATOM 1329 NH1 ARG A 82 -1.881 11.723 -5.077 1.00 4.31 N ATOM 1330 NH2 ARG A 82 -3.134 12.049 -3.167 1.00 3.88 N ATOM 0 H ARG A 82 0.191 6.859 -5.288 1.00 0.45 H new ATOM 0 HA ARG A 82 -1.787 5.008 -6.388 1.00 0.53 H new ATOM 0 HB2 ARG A 82 -3.324 6.503 -5.253 1.00 0.84 H new ATOM 0 HB3 ARG A 82 -2.025 6.031 -4.175 1.00 0.84 H new ATOM 0 HG2 ARG A 82 -1.866 8.238 -3.706 1.00 1.12 H new ATOM 0 HG3 ARG A 82 -0.985 8.346 -5.217 1.00 1.12 H new ATOM 0 HD2 ARG A 82 -2.637 9.539 -6.234 1.00 1.65 H new ATOM 0 HD3 ARG A 82 -3.906 8.508 -5.605 1.00 1.65 H new ATOM 0 HE ARG A 82 -4.054 9.827 -3.644 1.00 1.94 H new ATOM 0 HH11 ARG A 82 -1.605 11.133 -5.862 1.00 4.31 H new ATOM 0 HH12 ARG A 82 -1.470 12.650 -4.966 1.00 4.31 H new ATOM 0 HH21 ARG A 82 -3.817 11.710 -2.489 1.00 3.88 H new ATOM 0 HH22 ARG A 82 -2.722 12.976 -3.057 1.00 3.88 H new