USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 561 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 68:sc= 1.3 USER MOD Single : A 23 SER OG : rot -89:sc= 1.32 USER MOD Single : A 24 THR OG1 : rot 93:sc= 1.28 USER MOD Single : A 30 ASN :FLIP amide:sc= 0.37 F(o=-0.13,f=0.37) USER MOD Single : A 31 ASN : amide:sc= -0.025 K(o=-0.025,f=-1) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 88:sc= 0.247 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0.461 K(o=0.46,f=-1.5) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.0957 X(o=-0.096,f=-0.096) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0.986 K(o=0.99,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -168:sc= 0 (180deg=-0.195) USER MOD Single : A 69 THR OG1 : rot -70:sc= 1.23 USER MOD Single : A 82 ASN : amide:sc= -0.957 X(o=-0.96,f=-1.1) USER MOD Single : A 83 MET CE :methyl -161:sc= -1.58 (180deg=-2.34) USER MOD Single : A 85 TYR OH : rot 180:sc= 0.871 USER MOD ----------------------------------------------------------------- ATOM 29 N CYS A 16 2.392 -0.804 -4.356 1.00 1.14 N ATOM 30 CA CYS A 16 2.516 0.659 -4.291 1.00 1.04 C ATOM 31 C CYS A 16 3.518 1.203 -5.328 1.00 0.95 C ATOM 32 O CYS A 16 4.739 1.079 -5.172 1.00 0.85 O ATOM 33 CB CYS A 16 2.838 1.076 -2.851 1.00 1.03 C ATOM 34 SG CYS A 16 1.416 1.771 -1.971 1.00 0.98 S ATOM 0 HA CYS A 16 1.564 1.114 -4.564 1.00 1.04 H new ATOM 0 HB2 CYS A 16 3.207 0.209 -2.303 1.00 1.03 H new ATOM 0 HB3 CYS A 16 3.643 1.811 -2.864 1.00 1.03 H new ATOM 39 N LEU A 17 2.997 1.781 -6.414 1.00 1.25 N ATOM 40 CA LEU A 17 3.757 2.115 -7.627 1.00 1.34 C ATOM 41 C LEU A 17 4.664 3.351 -7.468 1.00 1.29 C ATOM 42 O LEU A 17 5.694 3.447 -8.137 1.00 1.29 O ATOM 43 CB LEU A 17 2.782 2.303 -8.812 1.00 1.67 C ATOM 44 CG LEU A 17 2.153 1.040 -9.443 1.00 1.89 C ATOM 45 CD1 LEU A 17 3.209 0.081 -9.996 1.00 2.09 C ATOM 46 CD2 LEU A 17 1.236 0.256 -8.500 1.00 2.52 C ATOM 0 H LEU A 17 2.012 2.037 -6.478 1.00 1.25 H new ATOM 0 HA LEU A 17 4.429 1.279 -7.821 1.00 1.34 H new ATOM 0 HB2 LEU A 17 1.970 2.948 -8.477 1.00 1.67 H new ATOM 0 HB3 LEU A 17 3.312 2.840 -9.598 1.00 1.67 H new ATOM 0 HG LEU A 17 1.542 1.434 -10.255 1.00 1.89 H new ATOM 0 HD11 LEU A 17 2.718 -0.791 -10.429 1.00 2.09 H new ATOM 0 HD12 LEU A 17 3.793 0.587 -10.764 1.00 2.09 H new ATOM 0 HD13 LEU A 17 3.869 -0.238 -9.189 1.00 2.09 H new ATOM 0 HD21 LEU A 17 0.837 -0.614 -9.021 1.00 2.52 H new ATOM 0 HD22 LEU A 17 1.804 -0.071 -7.629 1.00 2.52 H new ATOM 0 HD23 LEU A 17 0.414 0.895 -8.178 1.00 2.52 H new ATOM 58 N SER A 18 4.341 4.281 -6.569 1.00 1.36 N ATOM 59 CA SER A 18 5.182 5.450 -6.262 1.00 1.44 C ATOM 60 C SER A 18 6.375 5.073 -5.388 1.00 1.21 C ATOM 61 O SER A 18 7.503 5.472 -5.685 1.00 1.21 O ATOM 62 CB SER A 18 4.378 6.506 -5.516 1.00 1.75 C ATOM 63 OG SER A 18 3.240 6.922 -6.250 1.00 2.03 O ATOM 0 H SER A 18 3.479 4.248 -6.024 1.00 1.36 H new ATOM 0 HA SER A 18 5.537 5.838 -7.217 1.00 1.44 H new ATOM 0 HB2 SER A 18 4.062 6.107 -4.552 1.00 1.75 H new ATOM 0 HB3 SER A 18 5.013 7.368 -5.312 1.00 1.75 H new ATOM 0 HG SER A 18 2.750 7.598 -5.738 1.00 2.03 H new ATOM 69 N GLU A 19 6.149 4.268 -4.342 1.00 1.10 N ATOM 70 CA GLU A 19 7.246 3.712 -3.535 1.00 0.99 C ATOM 71 C GLU A 19 8.128 2.800 -4.402 1.00 0.72 C ATOM 72 O GLU A 19 9.355 2.802 -4.269 1.00 0.70 O ATOM 73 CB GLU A 19 6.726 2.912 -2.322 1.00 1.14 C ATOM 74 CG GLU A 19 5.678 3.600 -1.430 1.00 1.66 C ATOM 75 CD GLU A 19 6.111 4.938 -0.810 1.00 1.58 C ATOM 76 OE1 GLU A 19 7.322 5.262 -0.780 1.00 1.96 O ATOM 77 OE2 GLU A 19 5.233 5.688 -0.315 1.00 2.73 O ATOM 0 H GLU A 19 5.218 3.987 -4.034 1.00 1.10 H new ATOM 0 HA GLU A 19 7.829 4.553 -3.160 1.00 0.99 H new ATOM 0 HB2 GLU A 19 6.298 1.979 -2.689 1.00 1.14 H new ATOM 0 HB3 GLU A 19 7.580 2.648 -1.699 1.00 1.14 H new ATOM 0 HG2 GLU A 19 4.778 3.768 -2.021 1.00 1.66 H new ATOM 0 HG3 GLU A 19 5.408 2.917 -0.625 1.00 1.66 H new ATOM 84 N SER A 20 7.509 2.067 -5.339 1.00 0.68 N ATOM 85 CA SER A 20 8.234 1.171 -6.259 1.00 0.72 C ATOM 86 C SER A 20 9.134 1.932 -7.230 1.00 0.77 C ATOM 87 O SER A 20 10.302 1.586 -7.382 1.00 0.78 O ATOM 88 CB SER A 20 7.289 0.277 -7.065 1.00 0.94 C ATOM 89 OG SER A 20 6.575 -0.569 -6.190 1.00 1.70 O ATOM 0 H SER A 20 6.499 2.076 -5.482 1.00 0.68 H new ATOM 0 HA SER A 20 8.855 0.548 -5.615 1.00 0.72 H new ATOM 0 HB2 SER A 20 6.595 0.890 -7.641 1.00 0.94 H new ATOM 0 HB3 SER A 20 7.857 -0.319 -7.780 1.00 0.94 H new ATOM 0 HG SER A 20 5.960 -0.034 -5.647 1.00 1.70 H new ATOM 95 N ASP A 21 8.633 3.000 -7.853 1.00 0.87 N ATOM 96 CA ASP A 21 9.421 3.851 -8.749 1.00 0.96 C ATOM 97 C ASP A 21 10.606 4.500 -8.019 1.00 0.87 C ATOM 98 O ASP A 21 11.749 4.375 -8.459 1.00 0.91 O ATOM 99 CB ASP A 21 8.481 4.902 -9.351 1.00 1.17 C ATOM 100 CG ASP A 21 9.215 6.006 -10.111 1.00 1.70 C ATOM 101 OD1 ASP A 21 9.667 5.761 -11.251 1.00 1.79 O ATOM 102 OD2 ASP A 21 9.302 7.134 -9.568 1.00 2.94 O ATOM 0 H ASP A 21 7.664 3.301 -7.750 1.00 0.87 H new ATOM 0 HA ASP A 21 9.856 3.246 -9.545 1.00 0.96 H new ATOM 0 HB2 ASP A 21 7.781 4.409 -10.026 1.00 1.17 H new ATOM 0 HB3 ASP A 21 7.891 5.351 -8.552 1.00 1.17 H new ATOM 107 N ALA A 22 10.367 5.139 -6.871 1.00 0.84 N ATOM 108 CA ALA A 22 11.409 5.875 -6.160 1.00 0.87 C ATOM 109 C ALA A 22 12.463 4.956 -5.502 1.00 0.77 C ATOM 110 O ALA A 22 13.649 5.304 -5.487 1.00 0.85 O ATOM 111 CB ALA A 22 10.730 6.839 -5.187 1.00 0.98 C ATOM 0 H ALA A 22 9.455 5.160 -6.414 1.00 0.84 H new ATOM 0 HA ALA A 22 11.997 6.454 -6.872 1.00 0.87 H new ATOM 0 HB1 ALA A 22 11.489 7.401 -4.643 1.00 0.98 H new ATOM 0 HB2 ALA A 22 10.095 7.529 -5.742 1.00 0.98 H new ATOM 0 HB3 ALA A 22 10.121 6.274 -4.481 1.00 0.98 H new ATOM 117 N SER A 23 12.085 3.756 -5.040 1.00 0.64 N ATOM 118 CA SER A 23 13.056 2.703 -4.677 1.00 0.60 C ATOM 119 C SER A 23 13.835 2.147 -5.871 1.00 0.65 C ATOM 120 O SER A 23 15.055 2.039 -5.777 1.00 0.71 O ATOM 121 CB SER A 23 12.421 1.544 -3.908 1.00 0.66 C ATOM 122 OG SER A 23 11.286 1.000 -4.548 1.00 1.74 O ATOM 0 H SER A 23 11.111 3.485 -4.907 1.00 0.64 H new ATOM 0 HA SER A 23 13.761 3.215 -4.022 1.00 0.60 H new ATOM 0 HB2 SER A 23 13.164 0.758 -3.772 1.00 0.66 H new ATOM 0 HB3 SER A 23 12.137 1.890 -2.914 1.00 0.66 H new ATOM 0 HG SER A 23 10.483 1.478 -4.252 1.00 1.74 H new ATOM 128 N THR A 24 13.186 1.869 -7.008 1.00 0.76 N ATOM 129 CA THR A 24 13.870 1.417 -8.241 1.00 0.97 C ATOM 130 C THR A 24 14.908 2.452 -8.688 1.00 1.09 C ATOM 131 O THR A 24 16.054 2.107 -8.982 1.00 1.21 O ATOM 132 CB THR A 24 12.873 1.157 -9.387 1.00 1.08 C ATOM 133 OG1 THR A 24 11.888 0.232 -8.985 1.00 1.08 O ATOM 134 CG2 THR A 24 13.527 0.550 -10.627 1.00 1.29 C ATOM 0 H THR A 24 12.174 1.949 -7.107 1.00 0.76 H new ATOM 0 HA THR A 24 14.370 0.477 -8.006 1.00 0.97 H new ATOM 0 HB THR A 24 12.457 2.135 -9.627 1.00 1.08 H new ATOM 0 HG1 THR A 24 11.114 0.714 -8.626 1.00 1.08 H new ATOM 0 HG21 THR A 24 12.771 0.392 -11.396 1.00 1.29 H new ATOM 0 HG22 THR A 24 14.292 1.229 -11.004 1.00 1.29 H new ATOM 0 HG23 THR A 24 13.985 -0.404 -10.367 1.00 1.29 H new ATOM 142 N ARG A 25 14.537 3.740 -8.645 1.00 1.12 N ATOM 143 CA ARG A 25 15.413 4.885 -8.928 1.00 1.28 C ATOM 144 C ARG A 25 16.569 4.997 -7.934 1.00 1.22 C ATOM 145 O ARG A 25 17.692 5.193 -8.388 1.00 1.37 O ATOM 146 CB ARG A 25 14.575 6.171 -8.951 1.00 1.39 C ATOM 147 CG ARG A 25 13.728 6.305 -10.232 1.00 1.72 C ATOM 148 CD ARG A 25 12.529 7.242 -10.035 1.00 1.94 C ATOM 149 NE ARG A 25 12.918 8.530 -9.436 1.00 3.06 N ATOM 150 CZ ARG A 25 12.225 9.242 -8.572 1.00 4.52 C ATOM 151 NH1 ARG A 25 10.997 8.964 -8.245 1.00 5.03 N ATOM 152 NH2 ARG A 25 12.793 10.254 -7.999 1.00 6.08 N ATOM 0 H ARG A 25 13.587 4.022 -8.404 1.00 1.12 H new ATOM 0 HA ARG A 25 15.869 4.730 -9.906 1.00 1.28 H new ATOM 0 HB2 ARG A 25 13.917 6.187 -8.082 1.00 1.39 H new ATOM 0 HB3 ARG A 25 15.237 7.033 -8.866 1.00 1.39 H new ATOM 0 HG2 ARG A 25 14.353 6.682 -11.042 1.00 1.72 H new ATOM 0 HG3 ARG A 25 13.372 5.320 -10.536 1.00 1.72 H new ATOM 0 HD2 ARG A 25 12.049 7.422 -10.997 1.00 1.94 H new ATOM 0 HD3 ARG A 25 11.791 6.755 -9.397 1.00 1.94 H new ATOM 0 HE ARG A 25 13.820 8.911 -9.721 1.00 3.06 H new ATOM 0 HH11 ARG A 25 10.527 8.162 -8.664 1.00 5.03 H new ATOM 0 HH12 ARG A 25 10.504 9.548 -7.570 1.00 5.03 H new ATOM 0 HH21 ARG A 25 13.761 10.488 -8.220 1.00 6.08 H new ATOM 0 HH22 ARG A 25 12.273 10.818 -7.327 1.00 6.08 H new ATOM 166 N CYS A 26 16.337 4.793 -6.630 1.00 1.04 N ATOM 167 CA CYS A 26 17.406 4.704 -5.621 1.00 1.01 C ATOM 168 C CYS A 26 18.396 3.568 -5.930 1.00 0.99 C ATOM 169 O CYS A 26 19.611 3.758 -5.937 1.00 1.10 O ATOM 170 CB CYS A 26 16.812 4.509 -4.211 1.00 0.87 C ATOM 171 SG CYS A 26 18.051 4.013 -2.974 1.00 0.89 S ATOM 0 H CYS A 26 15.400 4.684 -6.242 1.00 1.04 H new ATOM 0 HA CYS A 26 17.953 5.646 -5.654 1.00 1.01 H new ATOM 0 HB2 CYS A 26 16.340 5.438 -3.891 1.00 0.87 H new ATOM 0 HB3 CYS A 26 16.029 3.752 -4.255 1.00 0.87 H new ATOM 176 N LEU A 27 17.890 2.370 -6.194 1.00 0.90 N ATOM 177 CA LEU A 27 18.714 1.177 -6.412 1.00 0.97 C ATOM 178 C LEU A 27 19.516 1.243 -7.722 1.00 1.22 C ATOM 179 O LEU A 27 20.617 0.703 -7.812 1.00 1.41 O ATOM 180 CB LEU A 27 17.782 -0.040 -6.306 1.00 0.99 C ATOM 181 CG LEU A 27 17.755 -0.611 -4.884 1.00 0.90 C ATOM 182 CD1 LEU A 27 17.519 0.352 -3.719 1.00 0.70 C ATOM 183 CD2 LEU A 27 16.718 -1.728 -4.787 1.00 1.13 C ATOM 0 H LEU A 27 16.888 2.192 -6.264 1.00 0.90 H new ATOM 0 HA LEU A 27 19.490 1.100 -5.651 1.00 0.97 H new ATOM 0 HB2 LEU A 27 16.773 0.247 -6.602 1.00 0.99 H new ATOM 0 HB3 LEU A 27 18.111 -0.812 -7.002 1.00 0.99 H new ATOM 0 HG LEU A 27 18.782 -0.952 -4.755 1.00 0.90 H new ATOM 0 HD11 LEU A 27 17.528 -0.203 -2.781 1.00 0.70 H new ATOM 0 HD12 LEU A 27 18.308 1.104 -3.703 1.00 0.70 H new ATOM 0 HD13 LEU A 27 16.553 0.842 -3.842 1.00 0.70 H new ATOM 0 HD21 LEU A 27 16.707 -2.127 -3.773 1.00 1.13 H new ATOM 0 HD22 LEU A 27 15.733 -1.332 -5.032 1.00 1.13 H new ATOM 0 HD23 LEU A 27 16.974 -2.524 -5.487 1.00 1.13 H new ATOM 195 N ASP A 28 18.987 1.968 -8.695 1.00 1.25 N ATOM 196 CA ASP A 28 19.668 2.407 -9.929 1.00 1.48 C ATOM 197 C ASP A 28 20.644 3.598 -9.740 1.00 1.53 C ATOM 198 O ASP A 28 21.645 3.694 -10.453 1.00 1.70 O ATOM 199 CB ASP A 28 18.594 2.731 -10.979 1.00 1.68 C ATOM 200 CG ASP A 28 19.197 3.207 -12.301 1.00 1.92 C ATOM 201 OD1 ASP A 28 19.814 2.377 -13.012 1.00 2.85 O ATOM 202 OD2 ASP A 28 19.053 4.412 -12.625 1.00 2.30 O ATOM 0 H ASP A 28 18.020 2.289 -8.655 1.00 1.25 H new ATOM 0 HA ASP A 28 20.307 1.588 -10.259 1.00 1.48 H new ATOM 0 HB2 ASP A 28 17.986 1.844 -11.158 1.00 1.68 H new ATOM 0 HB3 ASP A 28 17.928 3.501 -10.588 1.00 1.68 H new ATOM 207 N GLU A 29 20.402 4.492 -8.777 1.00 1.45 N ATOM 208 CA GLU A 29 21.276 5.622 -8.406 1.00 1.56 C ATOM 209 C GLU A 29 22.584 5.147 -7.756 1.00 1.53 C ATOM 210 O GLU A 29 23.674 5.503 -8.210 1.00 1.76 O ATOM 211 CB GLU A 29 20.529 6.558 -7.421 1.00 1.54 C ATOM 212 CG GLU A 29 19.891 7.803 -8.057 1.00 1.83 C ATOM 213 CD GLU A 29 20.831 9.009 -8.180 1.00 2.25 C ATOM 214 OE1 GLU A 29 22.076 8.838 -8.155 1.00 2.75 O ATOM 215 OE2 GLU A 29 20.321 10.152 -8.282 1.00 3.14 O ATOM 0 H GLU A 29 19.557 4.451 -8.207 1.00 1.45 H new ATOM 0 HA GLU A 29 21.528 6.157 -9.322 1.00 1.56 H new ATOM 0 HB2 GLU A 29 19.748 5.984 -6.921 1.00 1.54 H new ATOM 0 HB3 GLU A 29 21.229 6.882 -6.651 1.00 1.54 H new ATOM 0 HG2 GLU A 29 19.525 7.541 -9.050 1.00 1.83 H new ATOM 0 HG3 GLU A 29 19.024 8.094 -7.464 1.00 1.83 H new ATOM 222 N ASN A 30 22.478 4.346 -6.692 1.00 1.33 N ATOM 223 CA ASN A 30 23.558 4.020 -5.756 1.00 1.37 C ATOM 224 C ASN A 30 23.815 2.498 -5.659 1.00 1.31 C ATOM 225 O ASN A 30 23.846 1.930 -4.565 1.00 1.57 O ATOM 226 CB ASN A 30 23.265 4.721 -4.409 1.00 1.44 C ATOM 227 CG ASN A 30 21.844 4.523 -3.916 1.00 1.29 C ATOM 228 OD1 ASN A 30 21.419 3.287 -3.809 1.00 1.37 O flip ATOM 229 ND2 ASN A 30 21.102 5.467 -3.671 1.00 1.15 N flip ATOM 0 H ASN A 30 21.600 3.887 -6.449 1.00 1.33 H new ATOM 0 HA ASN A 30 24.508 4.406 -6.125 1.00 1.37 H new ATOM 0 HB2 ASN A 30 23.957 4.345 -3.656 1.00 1.44 H new ATOM 0 HB3 ASN A 30 23.458 5.788 -4.515 1.00 1.44 H new ATOM 0 HD21 ASN A 30 21.447 6.423 -3.759 1.00 1.15 H new ATOM 0 HD22 ASN A 30 20.140 5.297 -3.379 1.00 1.15 H new ATOM 236 N ASN A 31 23.929 1.820 -6.802 1.00 1.30 N ATOM 237 CA ASN A 31 24.390 0.434 -6.944 1.00 1.37 C ATOM 238 C ASN A 31 23.730 -0.588 -5.990 1.00 1.24 C ATOM 239 O ASN A 31 24.389 -1.224 -5.161 1.00 1.38 O ATOM 240 CB ASN A 31 25.928 0.420 -6.905 1.00 1.66 C ATOM 241 CG ASN A 31 26.492 -0.925 -7.316 1.00 2.54 C ATOM 242 OD1 ASN A 31 25.864 -1.707 -8.021 1.00 3.33 O ATOM 243 ND2 ASN A 31 27.688 -1.247 -6.898 1.00 3.17 N ATOM 0 H ASN A 31 23.691 2.242 -7.700 1.00 1.30 H new ATOM 0 HA ASN A 31 24.050 0.074 -7.915 1.00 1.37 H new ATOM 0 HB2 ASN A 31 26.315 1.194 -7.568 1.00 1.66 H new ATOM 0 HB3 ASN A 31 26.268 0.664 -5.898 1.00 1.66 H new ATOM 0 HD21 ASN A 31 28.095 -2.145 -7.159 1.00 3.17 H new ATOM 0 HD22 ASN A 31 28.215 -0.600 -6.311 1.00 3.17 H new ATOM 250 N TYR A 32 22.411 -0.737 -6.115 1.00 1.19 N ATOM 251 CA TYR A 32 21.589 -1.737 -5.426 1.00 1.23 C ATOM 252 C TYR A 32 21.599 -1.669 -3.878 1.00 1.16 C ATOM 253 O TYR A 32 21.706 -2.688 -3.196 1.00 1.46 O ATOM 254 CB TYR A 32 21.852 -3.142 -6.019 1.00 1.62 C ATOM 255 CG TYR A 32 20.904 -4.223 -5.526 1.00 2.37 C ATOM 256 CD1 TYR A 32 19.528 -3.951 -5.428 1.00 2.55 C ATOM 257 CD2 TYR A 32 21.399 -5.461 -5.074 1.00 3.90 C ATOM 258 CE1 TYR A 32 18.664 -4.857 -4.798 1.00 3.48 C ATOM 259 CE2 TYR A 32 20.531 -6.389 -4.466 1.00 4.85 C ATOM 260 CZ TYR A 32 19.162 -6.086 -4.305 1.00 4.42 C ATOM 261 OH TYR A 32 18.361 -6.967 -3.645 1.00 5.54 O ATOM 0 H TYR A 32 21.859 -0.137 -6.728 1.00 1.19 H new ATOM 0 HA TYR A 32 20.550 -1.480 -5.632 1.00 1.23 H new ATOM 0 HB2 TYR A 32 21.782 -3.083 -7.105 1.00 1.62 H new ATOM 0 HB3 TYR A 32 22.874 -3.437 -5.781 1.00 1.62 H new ATOM 0 HD1 TYR A 32 19.133 -3.035 -5.842 1.00 2.55 H new ATOM 0 HD2 TYR A 32 22.446 -5.700 -5.194 1.00 3.90 H new ATOM 0 HE1 TYR A 32 17.617 -4.617 -4.689 1.00 3.48 H new ATOM 0 HE2 TYR A 32 20.915 -7.338 -4.121 1.00 4.85 H new ATOM 0 HH TYR A 32 18.884 -7.754 -3.385 1.00 5.54 H new ATOM 271 N ASP A 33 21.457 -0.473 -3.291 1.00 0.97 N ATOM 272 CA ASP A 33 21.556 -0.236 -1.833 1.00 1.11 C ATOM 273 C ASP A 33 20.254 -0.543 -1.051 1.00 1.01 C ATOM 274 O ASP A 33 19.655 0.293 -0.359 1.00 0.95 O ATOM 275 CB ASP A 33 22.132 1.164 -1.560 1.00 1.32 C ATOM 276 CG ASP A 33 22.932 1.253 -0.263 1.00 1.74 C ATOM 277 OD1 ASP A 33 23.354 0.203 0.269 1.00 1.70 O ATOM 278 OD2 ASP A 33 23.214 2.380 0.200 1.00 3.23 O ATOM 0 H ASP A 33 21.266 0.377 -3.821 1.00 0.97 H new ATOM 0 HA ASP A 33 22.260 -0.966 -1.433 1.00 1.11 H new ATOM 0 HB2 ASP A 33 22.773 1.453 -2.393 1.00 1.32 H new ATOM 0 HB3 ASP A 33 21.314 1.883 -1.523 1.00 1.32 H new ATOM 283 N ARG A 34 19.789 -1.783 -1.220 1.00 1.11 N ATOM 284 CA ARG A 34 18.478 -2.305 -0.792 1.00 1.04 C ATOM 285 C ARG A 34 18.205 -2.313 0.717 1.00 1.10 C ATOM 286 O ARG A 34 17.049 -2.443 1.102 1.00 1.04 O ATOM 287 CB ARG A 34 18.251 -3.680 -1.456 1.00 1.26 C ATOM 288 CG ARG A 34 18.719 -4.927 -0.681 1.00 1.97 C ATOM 289 CD ARG A 34 20.203 -4.982 -0.287 1.00 3.72 C ATOM 290 NE ARG A 34 21.127 -4.922 -1.428 1.00 4.45 N ATOM 291 CZ ARG A 34 22.358 -5.396 -1.472 1.00 5.93 C ATOM 292 NH1 ARG A 34 22.878 -6.194 -0.583 1.00 6.72 N ATOM 293 NH2 ARG A 34 23.125 -5.035 -2.450 1.00 7.20 N ATOM 0 H ARG A 34 20.348 -2.497 -1.687 1.00 1.11 H new ATOM 0 HA ARG A 34 17.733 -1.589 -1.140 1.00 1.04 H new ATOM 0 HB2 ARG A 34 17.184 -3.787 -1.654 1.00 1.26 H new ATOM 0 HB3 ARG A 34 18.755 -3.675 -2.422 1.00 1.26 H new ATOM 0 HG2 ARG A 34 18.123 -5.005 0.228 1.00 1.97 H new ATOM 0 HG3 ARG A 34 18.495 -5.806 -1.285 1.00 1.97 H new ATOM 0 HD2 ARG A 34 20.420 -4.154 0.387 1.00 3.72 H new ATOM 0 HD3 ARG A 34 20.387 -5.902 0.268 1.00 3.72 H new ATOM 0 HE ARG A 34 20.781 -4.467 -2.273 1.00 4.45 H new ATOM 0 HH11 ARG A 34 22.323 -6.495 0.218 1.00 6.72 H new ATOM 0 HH12 ARG A 34 23.840 -6.517 -0.688 1.00 6.72 H new ATOM 0 HH21 ARG A 34 22.774 -4.398 -3.165 1.00 7.20 H new ATOM 0 HH22 ARG A 34 24.080 -5.388 -2.506 1.00 7.20 H new ATOM 307 N GLU A 35 19.226 -2.156 1.556 1.00 1.29 N ATOM 308 CA GLU A 35 19.105 -2.061 3.028 1.00 1.44 C ATOM 309 C GLU A 35 19.007 -0.612 3.526 1.00 1.43 C ATOM 310 O GLU A 35 18.527 -0.375 4.637 1.00 1.64 O ATOM 311 CB GLU A 35 20.278 -2.752 3.743 1.00 1.70 C ATOM 312 CG GLU A 35 20.309 -4.274 3.562 1.00 1.83 C ATOM 313 CD GLU A 35 21.471 -4.903 4.338 1.00 2.31 C ATOM 314 OE1 GLU A 35 21.374 -5.037 5.582 1.00 3.24 O ATOM 315 OE2 GLU A 35 22.490 -5.280 3.708 1.00 2.61 O ATOM 0 H GLU A 35 20.191 -2.088 1.233 1.00 1.29 H new ATOM 0 HA GLU A 35 18.175 -2.574 3.273 1.00 1.44 H new ATOM 0 HB2 GLU A 35 21.214 -2.333 3.372 1.00 1.70 H new ATOM 0 HB3 GLU A 35 20.226 -2.524 4.808 1.00 1.70 H new ATOM 0 HG2 GLU A 35 19.367 -4.702 3.903 1.00 1.83 H new ATOM 0 HG3 GLU A 35 20.403 -4.515 2.503 1.00 1.83 H new ATOM 322 N ARG A 36 19.440 0.367 2.718 1.00 1.32 N ATOM 323 CA ARG A 36 19.269 1.807 2.996 1.00 1.34 C ATOM 324 C ARG A 36 17.969 2.330 2.382 1.00 1.20 C ATOM 325 O ARG A 36 17.303 3.166 2.979 1.00 1.42 O ATOM 326 CB ARG A 36 20.491 2.607 2.507 1.00 1.37 C ATOM 327 CG ARG A 36 21.752 2.487 3.386 1.00 1.60 C ATOM 328 CD ARG A 36 22.361 1.079 3.428 1.00 2.09 C ATOM 329 NE ARG A 36 23.687 1.060 4.066 1.00 2.39 N ATOM 330 CZ ARG A 36 24.869 1.202 3.492 1.00 2.93 C ATOM 331 NH1 ARG A 36 25.043 1.489 2.240 1.00 3.68 N ATOM 332 NH2 ARG A 36 25.949 1.044 4.189 1.00 3.43 N ATOM 0 H ARG A 36 19.926 0.182 1.840 1.00 1.32 H new ATOM 0 HA ARG A 36 19.198 1.943 4.075 1.00 1.34 H new ATOM 0 HB2 ARG A 36 20.739 2.279 1.498 1.00 1.37 H new ATOM 0 HB3 ARG A 36 20.213 3.659 2.441 1.00 1.37 H new ATOM 0 HG2 ARG A 36 22.504 3.185 3.019 1.00 1.60 H new ATOM 0 HG3 ARG A 36 21.503 2.793 4.402 1.00 1.60 H new ATOM 0 HD2 ARG A 36 21.690 0.412 3.970 1.00 2.09 H new ATOM 0 HD3 ARG A 36 22.444 0.691 2.413 1.00 2.09 H new ATOM 0 HE ARG A 36 23.695 0.920 5.076 1.00 2.39 H new ATOM 0 HH11 ARG A 36 24.236 1.620 1.630 1.00 3.68 H new ATOM 0 HH12 ARG A 36 25.987 1.583 1.865 1.00 3.68 H new ATOM 0 HH21 ARG A 36 25.887 0.810 5.180 1.00 3.43 H new ATOM 0 HH22 ARG A 36 26.862 1.153 3.747 1.00 3.43 H new ATOM 346 N CYS A 37 17.560 1.774 1.238 1.00 0.94 N ATOM 347 CA CYS A 37 16.261 2.046 0.604 1.00 0.80 C ATOM 348 C CYS A 37 15.183 0.975 0.902 1.00 0.76 C ATOM 349 O CYS A 37 14.265 0.784 0.104 1.00 0.64 O ATOM 350 CB CYS A 37 16.481 2.360 -0.886 1.00 0.64 C ATOM 351 SG CYS A 37 17.142 4.029 -1.152 1.00 0.87 S ATOM 0 H CYS A 37 18.131 1.110 0.715 1.00 0.94 H new ATOM 0 HA CYS A 37 15.825 2.935 1.060 1.00 0.80 H new ATOM 0 HB2 CYS A 37 17.168 1.628 -1.311 1.00 0.64 H new ATOM 0 HB3 CYS A 37 15.536 2.257 -1.419 1.00 0.64 H new ATOM 356 N SER A 38 15.252 0.288 2.051 1.00 0.97 N ATOM 357 CA SER A 38 14.195 -0.646 2.492 1.00 0.99 C ATOM 358 C SER A 38 12.980 0.068 3.100 1.00 1.00 C ATOM 359 O SER A 38 11.910 -0.525 3.199 1.00 1.00 O ATOM 360 CB SER A 38 14.742 -1.698 3.466 1.00 1.03 C ATOM 361 OG SER A 38 14.141 -2.952 3.193 1.00 2.20 O ATOM 0 H SER A 38 16.035 0.360 2.700 1.00 0.97 H new ATOM 0 HA SER A 38 13.850 -1.153 1.591 1.00 0.99 H new ATOM 0 HB2 SER A 38 15.825 -1.772 3.367 1.00 1.03 H new ATOM 0 HB3 SER A 38 14.536 -1.400 4.494 1.00 1.03 H new ATOM 0 HG SER A 38 14.491 -3.625 3.814 1.00 2.20 H new ATOM 367 N THR A 39 13.101 1.352 3.449 1.00 1.05 N ATOM 368 CA THR A 39 11.997 2.259 3.839 1.00 1.12 C ATOM 369 C THR A 39 10.809 2.188 2.873 1.00 0.95 C ATOM 370 O THR A 39 9.680 1.901 3.262 1.00 0.83 O ATOM 371 CB THR A 39 12.516 3.707 3.872 1.00 1.32 C ATOM 372 OG1 THR A 39 13.264 3.965 2.699 1.00 2.29 O ATOM 373 CG2 THR A 39 13.442 3.947 5.054 1.00 1.62 C ATOM 0 H THR A 39 14.009 1.817 3.471 1.00 1.05 H new ATOM 0 HA THR A 39 11.650 1.941 4.822 1.00 1.12 H new ATOM 0 HB THR A 39 11.647 4.360 3.951 1.00 1.32 H new ATOM 0 HG1 THR A 39 12.663 4.276 1.990 1.00 2.29 H new ATOM 0 HG21 THR A 39 13.787 4.981 5.042 1.00 1.62 H new ATOM 0 HG22 THR A 39 12.904 3.755 5.982 1.00 1.62 H new ATOM 0 HG23 THR A 39 14.299 3.278 4.986 1.00 1.62 H new ATOM 381 N TYR A 40 11.088 2.336 1.582 1.00 0.96 N ATOM 382 CA TYR A 40 10.132 2.178 0.485 1.00 0.80 C ATOM 383 C TYR A 40 9.493 0.781 0.458 1.00 0.68 C ATOM 384 O TYR A 40 8.277 0.657 0.346 1.00 0.67 O ATOM 385 CB TYR A 40 10.878 2.382 -0.833 1.00 0.70 C ATOM 386 CG TYR A 40 11.618 3.694 -1.007 1.00 0.71 C ATOM 387 CD1 TYR A 40 12.903 3.866 -0.453 1.00 1.82 C ATOM 388 CD2 TYR A 40 11.050 4.721 -1.779 1.00 2.14 C ATOM 389 CE1 TYR A 40 13.617 5.059 -0.660 1.00 1.92 C ATOM 390 CE2 TYR A 40 11.768 5.910 -1.997 1.00 2.15 C ATOM 391 CZ TYR A 40 13.051 6.084 -1.441 1.00 0.95 C ATOM 392 OH TYR A 40 13.743 7.231 -1.669 1.00 1.17 O ATOM 0 H TYR A 40 12.023 2.579 1.255 1.00 0.96 H new ATOM 0 HA TYR A 40 9.337 2.910 0.628 1.00 0.80 H new ATOM 0 HB2 TYR A 40 11.596 1.570 -0.945 1.00 0.70 H new ATOM 0 HB3 TYR A 40 10.160 2.287 -1.647 1.00 0.70 H new ATOM 0 HD1 TYR A 40 13.343 3.074 0.136 1.00 1.82 H new ATOM 0 HD2 TYR A 40 10.065 4.598 -2.204 1.00 2.14 H new ATOM 0 HE1 TYR A 40 14.596 5.189 -0.222 1.00 1.92 H new ATOM 0 HE2 TYR A 40 11.333 6.696 -2.596 1.00 2.15 H new ATOM 0 HH TYR A 40 13.206 7.831 -2.228 1.00 1.17 H new ATOM 402 N PHE A 41 10.301 -0.278 0.592 1.00 0.67 N ATOM 403 CA PHE A 41 9.828 -1.668 0.586 1.00 0.64 C ATOM 404 C PHE A 41 8.996 -2.006 1.840 1.00 0.67 C ATOM 405 O PHE A 41 8.083 -2.833 1.788 1.00 0.70 O ATOM 406 CB PHE A 41 11.036 -2.603 0.408 1.00 0.74 C ATOM 407 CG PHE A 41 10.700 -4.084 0.380 1.00 1.54 C ATOM 408 CD1 PHE A 41 9.726 -4.584 -0.508 1.00 2.72 C ATOM 409 CD2 PHE A 41 11.362 -4.971 1.252 1.00 2.79 C ATOM 410 CE1 PHE A 41 9.392 -5.950 -0.498 1.00 3.89 C ATOM 411 CE2 PHE A 41 11.033 -6.337 1.258 1.00 3.95 C ATOM 412 CZ PHE A 41 10.042 -6.826 0.388 1.00 4.24 C ATOM 0 H PHE A 41 11.311 -0.193 0.709 1.00 0.67 H new ATOM 0 HA PHE A 41 9.148 -1.811 -0.254 1.00 0.64 H new ATOM 0 HB2 PHE A 41 11.544 -2.343 -0.520 1.00 0.74 H new ATOM 0 HB3 PHE A 41 11.741 -2.421 1.219 1.00 0.74 H new ATOM 0 HD1 PHE A 41 9.234 -3.915 -1.199 1.00 2.72 H new ATOM 0 HD2 PHE A 41 12.126 -4.599 1.919 1.00 2.79 H new ATOM 0 HE1 PHE A 41 8.636 -6.326 -1.171 1.00 3.89 H new ATOM 0 HE2 PHE A 41 11.541 -7.012 1.931 1.00 3.95 H new ATOM 0 HZ PHE A 41 9.781 -7.874 0.401 1.00 4.24 H new ATOM 422 N LEU A 42 9.246 -1.312 2.955 1.00 0.77 N ATOM 423 CA LEU A 42 8.419 -1.339 4.161 1.00 0.82 C ATOM 424 C LEU A 42 7.064 -0.688 3.888 1.00 0.77 C ATOM 425 O LEU A 42 6.041 -1.351 4.038 1.00 0.77 O ATOM 426 CB LEU A 42 9.223 -0.727 5.334 1.00 0.95 C ATOM 427 CG LEU A 42 8.419 -0.229 6.549 1.00 1.03 C ATOM 428 CD1 LEU A 42 7.639 -1.350 7.220 1.00 1.06 C ATOM 429 CD2 LEU A 42 9.364 0.366 7.591 1.00 1.16 C ATOM 0 H LEU A 42 10.055 -0.697 3.044 1.00 0.77 H new ATOM 0 HA LEU A 42 8.179 -2.359 4.459 1.00 0.82 H new ATOM 0 HB2 LEU A 42 9.935 -1.475 5.683 1.00 0.95 H new ATOM 0 HB3 LEU A 42 9.804 0.110 4.946 1.00 0.95 H new ATOM 0 HG LEU A 42 7.719 0.519 6.177 1.00 1.03 H new ATOM 0 HD11 LEU A 42 7.088 -0.951 8.071 1.00 1.06 H new ATOM 0 HD12 LEU A 42 6.939 -1.784 6.506 1.00 1.06 H new ATOM 0 HD13 LEU A 42 8.331 -2.119 7.564 1.00 1.06 H new ATOM 0 HD21 LEU A 42 8.787 0.716 8.447 1.00 1.16 H new ATOM 0 HD22 LEU A 42 10.072 -0.396 7.917 1.00 1.16 H new ATOM 0 HD23 LEU A 42 9.908 1.203 7.153 1.00 1.16 H new ATOM 441 N ARG A 43 7.035 0.540 3.359 1.00 0.79 N ATOM 442 CA ARG A 43 5.788 1.207 2.933 1.00 0.83 C ATOM 443 C ARG A 43 5.028 0.416 1.865 1.00 0.79 C ATOM 444 O ARG A 43 3.802 0.451 1.828 1.00 0.89 O ATOM 445 CB ARG A 43 6.097 2.640 2.483 1.00 0.92 C ATOM 446 CG ARG A 43 6.623 3.464 3.670 1.00 1.10 C ATOM 447 CD ARG A 43 6.830 4.946 3.330 1.00 1.39 C ATOM 448 NE ARG A 43 7.669 5.170 2.134 1.00 2.26 N ATOM 449 CZ ARG A 43 8.914 5.597 2.096 1.00 3.10 C ATOM 450 NH1 ARG A 43 9.650 5.733 3.155 1.00 3.41 N ATOM 451 NH2 ARG A 43 9.427 5.896 0.944 1.00 4.62 N ATOM 0 H ARG A 43 7.872 1.104 3.212 1.00 0.79 H new ATOM 0 HA ARG A 43 5.117 1.248 3.791 1.00 0.83 H new ATOM 0 HB2 ARG A 43 6.837 2.627 1.683 1.00 0.92 H new ATOM 0 HB3 ARG A 43 5.198 3.104 2.078 1.00 0.92 H new ATOM 0 HG2 ARG A 43 5.921 3.383 4.500 1.00 1.10 H new ATOM 0 HG3 ARG A 43 7.568 3.040 4.009 1.00 1.10 H new ATOM 0 HD2 ARG A 43 5.858 5.413 3.173 1.00 1.39 H new ATOM 0 HD3 ARG A 43 7.289 5.445 4.184 1.00 1.39 H new ATOM 0 HE ARG A 43 7.233 4.971 1.234 1.00 2.26 H new ATOM 0 HH11 ARG A 43 9.269 5.505 4.073 1.00 3.41 H new ATOM 0 HH12 ARG A 43 10.610 6.068 3.070 1.00 3.41 H new ATOM 0 HH21 ARG A 43 8.868 5.798 0.096 1.00 4.62 H new ATOM 0 HH22 ARG A 43 10.389 6.229 0.885 1.00 4.62 H new ATOM 465 N TYR A 44 5.733 -0.378 1.064 1.00 0.70 N ATOM 466 CA TYR A 44 5.145 -1.269 0.062 1.00 0.74 C ATOM 467 C TYR A 44 4.498 -2.511 0.706 1.00 0.81 C ATOM 468 O TYR A 44 3.360 -2.840 0.371 1.00 0.94 O ATOM 469 CB TYR A 44 6.221 -1.598 -0.979 1.00 0.71 C ATOM 470 CG TYR A 44 5.794 -2.488 -2.126 1.00 0.79 C ATOM 471 CD1 TYR A 44 5.935 -3.880 -2.003 1.00 1.93 C ATOM 472 CD2 TYR A 44 5.352 -1.929 -3.342 1.00 1.83 C ATOM 473 CE1 TYR A 44 5.653 -4.714 -3.098 1.00 1.99 C ATOM 474 CE2 TYR A 44 5.052 -2.767 -4.438 1.00 1.96 C ATOM 475 CZ TYR A 44 5.213 -4.165 -4.321 1.00 1.14 C ATOM 476 OH TYR A 44 4.978 -4.977 -5.389 1.00 1.37 O ATOM 0 H TYR A 44 6.752 -0.423 1.092 1.00 0.70 H new ATOM 0 HA TYR A 44 4.320 -0.772 -0.448 1.00 0.74 H new ATOM 0 HB2 TYR A 44 6.594 -0.661 -1.393 1.00 0.71 H new ATOM 0 HB3 TYR A 44 7.057 -2.076 -0.468 1.00 0.71 H new ATOM 0 HD1 TYR A 44 6.260 -4.309 -1.067 1.00 1.93 H new ATOM 0 HD2 TYR A 44 5.243 -0.859 -3.436 1.00 1.83 H new ATOM 0 HE1 TYR A 44 5.774 -5.783 -3.003 1.00 1.99 H new ATOM 0 HE2 TYR A 44 4.700 -2.339 -5.365 1.00 1.96 H new ATOM 0 HH TYR A 44 4.680 -4.437 -6.151 1.00 1.37 H new ATOM 486 N LYS A 45 5.125 -3.142 1.713 1.00 0.78 N ATOM 487 CA LYS A 45 4.457 -4.189 2.514 1.00 0.85 C ATOM 488 C LYS A 45 3.301 -3.625 3.362 1.00 0.91 C ATOM 489 O LYS A 45 2.263 -4.273 3.466 1.00 1.00 O ATOM 490 CB LYS A 45 5.493 -4.985 3.331 1.00 0.89 C ATOM 491 CG LYS A 45 4.834 -6.171 4.062 1.00 1.66 C ATOM 492 CD LYS A 45 5.835 -7.140 4.710 1.00 1.67 C ATOM 493 CE LYS A 45 6.447 -8.124 3.705 1.00 2.43 C ATOM 494 NZ LYS A 45 7.491 -8.966 4.338 1.00 2.61 N ATOM 0 H LYS A 45 6.087 -2.949 1.993 1.00 0.78 H new ATOM 0 HA LYS A 45 3.984 -4.895 1.832 1.00 0.85 H new ATOM 0 HB2 LYS A 45 6.277 -5.353 2.669 1.00 0.89 H new ATOM 0 HB3 LYS A 45 5.971 -4.327 4.057 1.00 0.89 H new ATOM 0 HG2 LYS A 45 4.167 -5.784 4.833 1.00 1.66 H new ATOM 0 HG3 LYS A 45 4.216 -6.723 3.354 1.00 1.66 H new ATOM 0 HD2 LYS A 45 6.633 -6.568 5.183 1.00 1.67 H new ATOM 0 HD3 LYS A 45 5.333 -7.699 5.499 1.00 1.67 H new ATOM 0 HE2 LYS A 45 5.664 -8.761 3.294 1.00 2.43 H new ATOM 0 HE3 LYS A 45 6.879 -7.572 2.870 1.00 2.43 H new ATOM 0 HZ1 LYS A 45 7.885 -9.620 3.632 1.00 2.61 H new ATOM 0 HZ2 LYS A 45 8.250 -8.359 4.708 1.00 2.61 H new ATOM 0 HZ3 LYS A 45 7.072 -9.511 5.119 1.00 2.61 H new ATOM 508 N ASN A 46 3.400 -2.390 3.863 1.00 0.88 N ATOM 509 CA ASN A 46 2.280 -1.690 4.514 1.00 0.95 C ATOM 510 C ASN A 46 1.102 -1.487 3.532 1.00 1.04 C ATOM 511 O ASN A 46 -0.059 -1.656 3.900 1.00 1.13 O ATOM 512 CB ASN A 46 2.744 -0.330 5.084 1.00 0.97 C ATOM 513 CG ASN A 46 3.951 -0.358 6.015 1.00 0.93 C ATOM 514 OD1 ASN A 46 4.360 -1.384 6.549 1.00 0.94 O ATOM 515 ND2 ASN A 46 4.565 0.793 6.201 1.00 0.98 N ATOM 0 H ASN A 46 4.260 -1.843 3.830 1.00 0.88 H new ATOM 0 HA ASN A 46 1.932 -2.313 5.338 1.00 0.95 H new ATOM 0 HB2 ASN A 46 2.974 0.330 4.247 1.00 0.97 H new ATOM 0 HB3 ASN A 46 1.908 0.117 5.622 1.00 0.97 H new ATOM 0 HD21 ASN A 46 5.392 0.839 6.796 1.00 0.98 H new ATOM 0 HD22 ASN A 46 4.213 1.638 5.750 1.00 0.98 H new ATOM 522 N CYS A 47 1.392 -1.190 2.260 1.00 1.07 N ATOM 523 CA CYS A 47 0.414 -1.018 1.177 1.00 1.17 C ATOM 524 C CYS A 47 -0.331 -2.314 0.814 1.00 1.27 C ATOM 525 O CYS A 47 -1.508 -2.277 0.439 1.00 1.60 O ATOM 526 CB CYS A 47 1.179 -0.440 -0.016 1.00 1.16 C ATOM 527 SG CYS A 47 0.242 0.199 -1.419 1.00 2.08 S ATOM 0 H CYS A 47 2.352 -1.057 1.943 1.00 1.07 H new ATOM 0 HA CYS A 47 -0.377 -0.342 1.500 1.00 1.17 H new ATOM 0 HB2 CYS A 47 1.810 0.368 0.356 1.00 1.16 H new ATOM 0 HB3 CYS A 47 1.845 -1.218 -0.390 1.00 1.16 H new ATOM 532 N ARG A 48 0.310 -3.473 1.015 1.00 1.12 N ATOM 533 CA ARG A 48 -0.377 -4.774 1.068 1.00 1.15 C ATOM 534 C ARG A 48 -1.205 -4.892 2.345 1.00 0.91 C ATOM 535 O ARG A 48 -2.427 -4.975 2.256 1.00 0.78 O ATOM 536 CB ARG A 48 0.626 -5.951 0.964 1.00 1.45 C ATOM 537 CG ARG A 48 1.604 -5.973 -0.225 1.00 1.42 C ATOM 538 CD ARG A 48 0.975 -6.514 -1.512 1.00 1.68 C ATOM 539 NE ARG A 48 2.001 -6.917 -2.493 1.00 2.44 N ATOM 540 CZ ARG A 48 1.837 -7.125 -3.785 1.00 3.45 C ATOM 541 NH1 ARG A 48 0.688 -7.007 -4.380 1.00 3.92 N ATOM 542 NH2 ARG A 48 2.859 -7.474 -4.503 1.00 4.47 N ATOM 0 H ARG A 48 1.320 -3.537 1.146 1.00 1.12 H new ATOM 0 HA ARG A 48 -1.046 -4.829 0.209 1.00 1.15 H new ATOM 0 HB2 ARG A 48 1.216 -5.967 1.880 1.00 1.45 H new ATOM 0 HB3 ARG A 48 0.051 -6.877 0.939 1.00 1.45 H new ATOM 0 HG2 ARG A 48 1.971 -4.962 -0.404 1.00 1.42 H new ATOM 0 HG3 ARG A 48 2.468 -6.585 0.035 1.00 1.42 H new ATOM 0 HD2 ARG A 48 0.341 -7.369 -1.276 1.00 1.68 H new ATOM 0 HD3 ARG A 48 0.331 -5.752 -1.951 1.00 1.68 H new ATOM 0 HE ARG A 48 2.945 -7.050 -2.130 1.00 2.44 H new ATOM 0 HH11 ARG A 48 -0.139 -6.743 -3.844 1.00 3.92 H new ATOM 0 HH12 ARG A 48 0.613 -7.179 -5.383 1.00 3.92 H new ATOM 0 HH21 ARG A 48 3.775 -7.584 -4.067 1.00 4.47 H new ATOM 0 HH22 ARG A 48 2.747 -7.638 -5.503 1.00 4.47 H new ATOM 556 N ARG A 49 -0.572 -4.843 3.524 1.00 0.92 N ATOM 557 CA ARG A 49 -1.199 -5.140 4.826 1.00 0.83 C ATOM 558 C ARG A 49 -2.447 -4.306 5.108 1.00 0.71 C ATOM 559 O ARG A 49 -3.437 -4.868 5.576 1.00 0.63 O ATOM 560 CB ARG A 49 -0.163 -4.955 5.947 1.00 0.88 C ATOM 561 CG ARG A 49 -0.695 -5.483 7.294 1.00 0.89 C ATOM 562 CD ARG A 49 0.272 -5.289 8.461 1.00 1.09 C ATOM 563 NE ARG A 49 1.571 -5.924 8.202 1.00 1.76 N ATOM 564 CZ ARG A 49 2.707 -5.332 7.898 1.00 2.64 C ATOM 565 NH1 ARG A 49 2.838 -4.046 7.745 1.00 3.36 N ATOM 566 NH2 ARG A 49 3.764 -6.062 7.716 1.00 3.95 N ATOM 0 H ARG A 49 0.413 -4.590 3.605 1.00 0.92 H new ATOM 0 HA ARG A 49 -1.535 -6.176 4.789 1.00 0.83 H new ATOM 0 HB2 ARG A 49 0.756 -5.479 5.686 1.00 0.88 H new ATOM 0 HB3 ARG A 49 0.089 -3.899 6.042 1.00 0.88 H new ATOM 0 HG2 ARG A 49 -1.634 -4.979 7.525 1.00 0.89 H new ATOM 0 HG3 ARG A 49 -0.919 -6.545 7.194 1.00 0.89 H new ATOM 0 HD2 ARG A 49 0.417 -4.224 8.640 1.00 1.09 H new ATOM 0 HD3 ARG A 49 -0.164 -5.708 9.368 1.00 1.09 H new ATOM 0 HE ARG A 49 1.596 -6.942 8.265 1.00 1.76 H new ATOM 0 HH11 ARG A 49 2.031 -3.434 7.861 1.00 3.36 H new ATOM 0 HH12 ARG A 49 3.748 -3.651 7.509 1.00 3.36 H new ATOM 0 HH21 ARG A 49 3.706 -7.076 7.809 1.00 3.95 H new ATOM 0 HH22 ARG A 49 4.653 -5.622 7.480 1.00 3.95 H new ATOM 580 N PHE A 50 -2.422 -3.011 4.785 1.00 0.72 N ATOM 581 CA PHE A 50 -3.560 -2.111 4.965 1.00 0.62 C ATOM 582 C PHE A 50 -4.761 -2.537 4.130 1.00 0.55 C ATOM 583 O PHE A 50 -5.857 -2.746 4.645 1.00 0.46 O ATOM 584 CB PHE A 50 -3.167 -0.688 4.551 1.00 0.69 C ATOM 585 CG PHE A 50 -4.288 0.308 4.788 1.00 0.60 C ATOM 586 CD1 PHE A 50 -4.512 0.833 6.073 1.00 1.86 C ATOM 587 CD2 PHE A 50 -5.167 0.639 3.740 1.00 2.01 C ATOM 588 CE1 PHE A 50 -5.609 1.681 6.305 1.00 1.85 C ATOM 589 CE2 PHE A 50 -6.273 1.472 3.973 1.00 2.02 C ATOM 590 CZ PHE A 50 -6.498 1.987 5.261 1.00 0.56 C ATOM 0 H PHE A 50 -1.601 -2.554 4.387 1.00 0.72 H new ATOM 0 HA PHE A 50 -3.836 -2.148 6.019 1.00 0.62 H new ATOM 0 HB2 PHE A 50 -2.284 -0.379 5.111 1.00 0.69 H new ATOM 0 HB3 PHE A 50 -2.894 -0.681 3.496 1.00 0.69 H new ATOM 0 HD1 PHE A 50 -3.841 0.585 6.882 1.00 1.86 H new ATOM 0 HD2 PHE A 50 -4.989 0.249 2.749 1.00 2.01 H new ATOM 0 HE1 PHE A 50 -5.769 2.098 7.288 1.00 1.85 H new ATOM 0 HE2 PHE A 50 -6.948 1.716 3.166 1.00 2.02 H new ATOM 0 HZ PHE A 50 -7.354 2.618 5.448 1.00 0.56 H new ATOM 600 N TRP A 51 -4.553 -2.684 2.824 1.00 0.63 N ATOM 601 CA TRP A 51 -5.661 -2.990 1.919 1.00 0.59 C ATOM 602 C TRP A 51 -6.147 -4.437 2.092 1.00 0.56 C ATOM 603 O TRP A 51 -7.350 -4.689 2.043 1.00 0.49 O ATOM 604 CB TRP A 51 -5.276 -2.579 0.497 1.00 0.67 C ATOM 605 CG TRP A 51 -5.305 -1.084 0.291 1.00 0.66 C ATOM 606 CD1 TRP A 51 -4.229 -0.272 0.138 1.00 0.69 C ATOM 607 CD2 TRP A 51 -6.464 -0.181 0.329 1.00 0.63 C ATOM 608 NE1 TRP A 51 -4.648 1.029 -0.025 1.00 0.68 N ATOM 609 CE2 TRP A 51 -6.001 1.156 0.146 1.00 0.64 C ATOM 610 CE3 TRP A 51 -7.852 -0.333 0.561 1.00 0.62 C ATOM 611 CZ2 TRP A 51 -6.844 2.273 0.176 1.00 0.64 C ATOM 612 CZ3 TRP A 51 -8.708 0.789 0.627 1.00 0.62 C ATOM 613 CH2 TRP A 51 -8.210 2.089 0.432 1.00 0.63 C ATOM 0 H TRP A 51 -3.642 -2.598 2.372 1.00 0.63 H new ATOM 0 HA TRP A 51 -6.542 -2.400 2.171 1.00 0.59 H new ATOM 0 HB2 TRP A 51 -4.276 -2.952 0.274 1.00 0.67 H new ATOM 0 HB3 TRP A 51 -5.958 -3.052 -0.210 1.00 0.67 H new ATOM 0 HD1 TRP A 51 -3.199 -0.597 0.143 1.00 0.69 H new ATOM 0 HE1 TRP A 51 -4.025 1.806 -0.247 1.00 0.68 H new ATOM 0 HE3 TRP A 51 -8.264 -1.323 0.690 1.00 0.62 H new ATOM 0 HZ2 TRP A 51 -6.448 3.263 0.004 1.00 0.64 H new ATOM 0 HZ3 TRP A 51 -9.759 0.646 0.830 1.00 0.62 H new ATOM 0 HH2 TRP A 51 -8.874 2.939 0.479 1.00 0.63 H new ATOM 624 N ASN A 52 -5.254 -5.352 2.477 1.00 0.61 N ATOM 625 CA ASN A 52 -5.587 -6.684 2.961 1.00 0.61 C ATOM 626 C ASN A 52 -6.399 -6.662 4.274 1.00 0.52 C ATOM 627 O ASN A 52 -7.308 -7.478 4.427 1.00 0.52 O ATOM 628 CB ASN A 52 -4.263 -7.453 3.095 1.00 0.72 C ATOM 629 CG ASN A 52 -3.694 -7.912 1.758 1.00 0.99 C ATOM 630 OD1 ASN A 52 -4.330 -7.854 0.714 1.00 1.42 O ATOM 631 ND2 ASN A 52 -2.471 -8.376 1.727 1.00 1.17 N ATOM 0 H ASN A 52 -4.250 -5.176 2.458 1.00 0.61 H new ATOM 0 HA ASN A 52 -6.247 -7.186 2.253 1.00 0.61 H new ATOM 0 HB2 ASN A 52 -3.531 -6.818 3.595 1.00 0.72 H new ATOM 0 HB3 ASN A 52 -4.419 -8.323 3.733 1.00 0.72 H new ATOM 0 HD21 ASN A 52 -2.064 -8.682 0.843 1.00 1.17 H new ATOM 0 HD22 ASN A 52 -1.925 -8.432 2.587 1.00 1.17 H new ATOM 638 N SER A 53 -6.152 -5.718 5.191 1.00 0.50 N ATOM 639 CA SER A 53 -7.006 -5.489 6.369 1.00 0.48 C ATOM 640 C SER A 53 -8.408 -5.017 5.965 1.00 0.42 C ATOM 641 O SER A 53 -9.391 -5.590 6.436 1.00 0.45 O ATOM 642 CB SER A 53 -6.356 -4.496 7.346 1.00 0.55 C ATOM 643 OG SER A 53 -7.252 -4.155 8.389 1.00 2.55 O ATOM 0 H SER A 53 -5.352 -5.088 5.139 1.00 0.50 H new ATOM 0 HA SER A 53 -7.112 -6.445 6.881 1.00 0.48 H new ATOM 0 HB2 SER A 53 -5.451 -4.933 7.767 1.00 0.55 H new ATOM 0 HB3 SER A 53 -6.056 -3.596 6.810 1.00 0.55 H new ATOM 0 HG SER A 53 -6.818 -3.524 9.000 1.00 2.55 H new ATOM 649 N ILE A 54 -8.530 -4.058 5.035 1.00 0.40 N ATOM 650 CA ILE A 54 -9.839 -3.597 4.532 1.00 0.40 C ATOM 651 C ILE A 54 -10.631 -4.762 3.917 1.00 0.38 C ATOM 652 O ILE A 54 -11.824 -4.911 4.186 1.00 0.43 O ATOM 653 CB ILE A 54 -9.652 -2.432 3.530 1.00 0.47 C ATOM 654 CG1 ILE A 54 -8.956 -1.202 4.160 1.00 0.55 C ATOM 655 CG2 ILE A 54 -10.983 -2.009 2.884 1.00 0.51 C ATOM 656 CD1 ILE A 54 -9.675 -0.564 5.355 1.00 0.56 C ATOM 0 H ILE A 54 -7.734 -3.582 4.612 1.00 0.40 H new ATOM 0 HA ILE A 54 -10.424 -3.220 5.371 1.00 0.40 H new ATOM 0 HB ILE A 54 -8.995 -2.821 2.752 1.00 0.47 H new ATOM 0 HG12 ILE A 54 -7.956 -1.498 4.478 1.00 0.55 H new ATOM 0 HG13 ILE A 54 -8.833 -0.443 3.387 1.00 0.55 H new ATOM 0 HG21 ILE A 54 -10.805 -1.189 2.188 1.00 0.51 H new ATOM 0 HG22 ILE A 54 -11.412 -2.855 2.346 1.00 0.51 H new ATOM 0 HG23 ILE A 54 -11.676 -1.683 3.659 1.00 0.51 H new ATOM 0 HD11 ILE A 54 -9.098 0.288 5.715 1.00 0.56 H new ATOM 0 HD12 ILE A 54 -10.665 -0.227 5.047 1.00 0.56 H new ATOM 0 HD13 ILE A 54 -9.774 -1.298 6.154 1.00 0.56 H new ATOM 668 N VAL A 55 -9.952 -5.640 3.169 1.00 0.39 N ATOM 669 CA VAL A 55 -10.518 -6.888 2.637 1.00 0.43 C ATOM 670 C VAL A 55 -11.014 -7.807 3.760 1.00 0.44 C ATOM 671 O VAL A 55 -12.168 -8.220 3.716 1.00 0.47 O ATOM 672 CB VAL A 55 -9.489 -7.579 1.719 1.00 0.52 C ATOM 673 CG1 VAL A 55 -9.811 -9.035 1.364 1.00 0.60 C ATOM 674 CG2 VAL A 55 -9.361 -6.787 0.414 1.00 0.58 C ATOM 0 H VAL A 55 -8.975 -5.501 2.911 1.00 0.39 H new ATOM 0 HA VAL A 55 -11.395 -6.649 2.036 1.00 0.43 H new ATOM 0 HB VAL A 55 -8.561 -7.597 2.290 1.00 0.52 H new ATOM 0 HG11 VAL A 55 -9.030 -9.433 0.716 1.00 0.60 H new ATOM 0 HG12 VAL A 55 -9.863 -9.629 2.276 1.00 0.60 H new ATOM 0 HG13 VAL A 55 -10.769 -9.080 0.847 1.00 0.60 H new ATOM 0 HG21 VAL A 55 -8.634 -7.273 -0.237 1.00 0.58 H new ATOM 0 HG22 VAL A 55 -10.329 -6.751 -0.086 1.00 0.58 H new ATOM 0 HG23 VAL A 55 -9.029 -5.773 0.635 1.00 0.58 H new ATOM 684 N MET A 56 -10.214 -8.076 4.800 1.00 0.46 N ATOM 685 CA MET A 56 -10.621 -8.933 5.933 1.00 0.51 C ATOM 686 C MET A 56 -11.815 -8.368 6.718 1.00 0.52 C ATOM 687 O MET A 56 -12.713 -9.125 7.100 1.00 0.60 O ATOM 688 CB MET A 56 -9.438 -9.149 6.892 1.00 0.55 C ATOM 689 CG MET A 56 -8.322 -10.007 6.284 1.00 0.67 C ATOM 690 SD MET A 56 -8.731 -11.740 5.955 1.00 1.28 S ATOM 691 CE MET A 56 -8.643 -12.404 7.640 1.00 2.43 C ATOM 0 H MET A 56 -9.266 -7.708 4.884 1.00 0.46 H new ATOM 0 HA MET A 56 -10.936 -9.883 5.500 1.00 0.51 H new ATOM 0 HB2 MET A 56 -9.029 -8.180 7.179 1.00 0.55 H new ATOM 0 HB3 MET A 56 -9.799 -9.625 7.804 1.00 0.55 H new ATOM 0 HG2 MET A 56 -8.008 -9.546 5.348 1.00 0.67 H new ATOM 0 HG3 MET A 56 -7.465 -9.980 6.956 1.00 0.67 H new ATOM 0 HE1 MET A 56 -8.870 -13.470 7.623 1.00 2.43 H new ATOM 0 HE2 MET A 56 -7.640 -12.252 8.039 1.00 2.43 H new ATOM 0 HE3 MET A 56 -9.367 -11.889 8.272 1.00 2.43 H new ATOM 701 N GLN A 57 -11.874 -7.047 6.917 1.00 0.47 N ATOM 702 CA GLN A 57 -13.006 -6.395 7.582 1.00 0.52 C ATOM 703 C GLN A 57 -14.270 -6.458 6.711 1.00 0.58 C ATOM 704 O GLN A 57 -15.340 -6.783 7.215 1.00 0.95 O ATOM 705 CB GLN A 57 -12.663 -4.944 7.970 1.00 0.56 C ATOM 706 CG GLN A 57 -11.511 -4.791 8.985 1.00 0.61 C ATOM 707 CD GLN A 57 -11.705 -5.570 10.285 1.00 0.82 C ATOM 708 OE1 GLN A 57 -12.744 -5.519 10.933 1.00 1.48 O ATOM 709 NE2 GLN A 57 -10.719 -6.322 10.719 1.00 1.05 N ATOM 0 H GLN A 57 -11.141 -6.402 6.623 1.00 0.47 H new ATOM 0 HA GLN A 57 -13.212 -6.941 8.503 1.00 0.52 H new ATOM 0 HB2 GLN A 57 -12.404 -4.394 7.065 1.00 0.56 H new ATOM 0 HB3 GLN A 57 -13.555 -4.475 8.384 1.00 0.56 H new ATOM 0 HG2 GLN A 57 -10.584 -5.118 8.515 1.00 0.61 H new ATOM 0 HG3 GLN A 57 -11.392 -3.734 9.224 1.00 0.61 H new ATOM 0 HE21 GLN A 57 -9.848 -6.375 10.191 1.00 1.05 H new ATOM 0 HE22 GLN A 57 -10.825 -6.853 11.584 1.00 1.05 H new ATOM 718 N ARG A 58 -14.170 -6.254 5.389 1.00 0.50 N ATOM 719 CA ARG A 58 -15.304 -6.384 4.450 1.00 0.57 C ATOM 720 C ARG A 58 -15.757 -7.831 4.232 1.00 0.64 C ATOM 721 O ARG A 58 -16.948 -8.081 4.013 1.00 0.76 O ATOM 722 CB ARG A 58 -14.948 -5.667 3.134 1.00 0.61 C ATOM 723 CG ARG A 58 -15.182 -4.156 3.290 1.00 0.83 C ATOM 724 CD ARG A 58 -14.738 -3.349 2.063 1.00 1.00 C ATOM 725 NE ARG A 58 -15.667 -2.251 1.726 1.00 1.12 N ATOM 726 CZ ARG A 58 -15.837 -1.084 2.326 1.00 1.48 C ATOM 727 NH1 ARG A 58 -15.250 -0.762 3.444 1.00 2.44 N ATOM 728 NH2 ARG A 58 -16.619 -0.194 1.790 1.00 1.63 N ATOM 0 H ARG A 58 -13.295 -5.992 4.934 1.00 0.50 H new ATOM 0 HA ARG A 58 -16.173 -5.900 4.897 1.00 0.57 H new ATOM 0 HB2 ARG A 58 -13.907 -5.859 2.874 1.00 0.61 H new ATOM 0 HB3 ARG A 58 -15.558 -6.057 2.319 1.00 0.61 H new ATOM 0 HG2 ARG A 58 -16.241 -3.975 3.473 1.00 0.83 H new ATOM 0 HG3 ARG A 58 -14.642 -3.799 4.167 1.00 0.83 H new ATOM 0 HD2 ARG A 58 -13.747 -2.935 2.247 1.00 1.00 H new ATOM 0 HD3 ARG A 58 -14.650 -4.018 1.207 1.00 1.00 H new ATOM 0 HE ARG A 58 -16.263 -2.416 0.915 1.00 1.12 H new ATOM 0 HH11 ARG A 58 -14.623 -1.425 3.900 1.00 2.44 H new ATOM 0 HH12 ARG A 58 -15.417 0.153 3.863 1.00 2.44 H new ATOM 0 HH21 ARG A 58 -17.097 -0.398 0.912 1.00 1.63 H new ATOM 0 HH22 ARG A 58 -16.754 0.708 2.247 1.00 1.63 H new ATOM 742 N ARG A 59 -14.845 -8.795 4.371 1.00 0.63 N ATOM 743 CA ARG A 59 -15.102 -10.243 4.255 1.00 0.74 C ATOM 744 C ARG A 59 -15.986 -10.798 5.379 1.00 0.92 C ATOM 745 O ARG A 59 -16.659 -11.805 5.152 1.00 1.01 O ATOM 746 CB ARG A 59 -13.757 -10.980 4.095 1.00 0.79 C ATOM 747 CG ARG A 59 -13.923 -12.458 3.716 1.00 0.90 C ATOM 748 CD ARG A 59 -12.593 -13.117 3.319 1.00 1.11 C ATOM 749 NE ARG A 59 -11.826 -13.587 4.487 1.00 2.55 N ATOM 750 CZ ARG A 59 -10.684 -14.249 4.461 1.00 3.35 C ATOM 751 NH1 ARG A 59 -9.976 -14.422 3.387 1.00 2.91 N ATOM 752 NH2 ARG A 59 -10.234 -14.775 5.556 1.00 4.86 N ATOM 0 H ARG A 59 -13.868 -8.587 4.575 1.00 0.63 H new ATOM 0 HA ARG A 59 -15.697 -10.422 3.359 1.00 0.74 H new ATOM 0 HB2 ARG A 59 -13.164 -10.479 3.330 1.00 0.79 H new ATOM 0 HB3 ARG A 59 -13.198 -10.911 5.028 1.00 0.79 H new ATOM 0 HG2 ARG A 59 -14.356 -12.999 4.557 1.00 0.90 H new ATOM 0 HG3 ARG A 59 -14.627 -12.540 2.888 1.00 0.90 H new ATOM 0 HD2 ARG A 59 -12.792 -13.959 2.656 1.00 1.11 H new ATOM 0 HD3 ARG A 59 -11.991 -12.403 2.756 1.00 1.11 H new ATOM 0 HE ARG A 59 -12.216 -13.380 5.406 1.00 2.55 H new ATOM 0 HH11 ARG A 59 -10.295 -14.036 2.498 1.00 2.91 H new ATOM 0 HH12 ARG A 59 -9.101 -14.944 3.432 1.00 2.91 H new ATOM 0 HH21 ARG A 59 -10.761 -14.675 6.424 1.00 4.86 H new ATOM 0 HH22 ARG A 59 -9.353 -15.289 5.550 1.00 4.86 H new ATOM 766 N LYS A 60 -16.135 -10.072 6.501 1.00 1.03 N ATOM 767 CA LYS A 60 -17.126 -10.362 7.563 1.00 1.30 C ATOM 768 C LYS A 60 -18.539 -10.632 7.026 1.00 1.33 C ATOM 769 O LYS A 60 -19.264 -11.454 7.576 1.00 1.48 O ATOM 770 CB LYS A 60 -17.148 -9.224 8.607 1.00 1.59 C ATOM 771 CG LYS A 60 -17.994 -8.003 8.200 1.00 1.71 C ATOM 772 CD LYS A 60 -17.920 -6.879 9.235 1.00 2.09 C ATOM 773 CE LYS A 60 -18.828 -5.723 8.800 1.00 2.41 C ATOM 774 NZ LYS A 60 -18.866 -4.650 9.818 1.00 2.84 N ATOM 0 H LYS A 60 -15.562 -9.252 6.703 1.00 1.03 H new ATOM 0 HA LYS A 60 -16.802 -11.287 8.040 1.00 1.30 H new ATOM 0 HB2 LYS A 60 -17.531 -9.618 9.548 1.00 1.59 H new ATOM 0 HB3 LYS A 60 -16.125 -8.897 8.791 1.00 1.59 H new ATOM 0 HG2 LYS A 60 -17.650 -7.630 7.235 1.00 1.71 H new ATOM 0 HG3 LYS A 60 -19.032 -8.309 8.072 1.00 1.71 H new ATOM 0 HD2 LYS A 60 -18.228 -7.250 10.213 1.00 2.09 H new ATOM 0 HD3 LYS A 60 -16.892 -6.530 9.336 1.00 2.09 H new ATOM 0 HE2 LYS A 60 -18.472 -5.316 7.854 1.00 2.41 H new ATOM 0 HE3 LYS A 60 -19.837 -6.097 8.626 1.00 2.41 H new ATOM 0 HZ1 LYS A 60 -19.489 -3.884 9.492 1.00 2.84 H new ATOM 0 HZ2 LYS A 60 -19.229 -5.034 10.714 1.00 2.84 H new ATOM 0 HZ3 LYS A 60 -17.906 -4.277 9.965 1.00 2.84 H new ATOM 788 N ASN A 61 -18.927 -9.966 5.932 1.00 1.27 N ATOM 789 CA ASN A 61 -20.259 -10.097 5.343 1.00 1.39 C ATOM 790 C ASN A 61 -20.404 -11.371 4.477 1.00 1.18 C ATOM 791 O ASN A 61 -21.497 -11.919 4.347 1.00 1.25 O ATOM 792 CB ASN A 61 -20.587 -8.837 4.529 1.00 1.76 C ATOM 793 CG ASN A 61 -20.435 -7.535 5.286 1.00 2.41 C ATOM 794 OD1 ASN A 61 -21.346 -7.042 5.935 1.00 2.90 O ATOM 795 ND2 ASN A 61 -19.273 -6.943 5.215 1.00 2.72 N ATOM 0 H ASN A 61 -18.320 -9.318 5.430 1.00 1.27 H new ATOM 0 HA ASN A 61 -20.975 -10.200 6.158 1.00 1.39 H new ATOM 0 HB2 ASN A 61 -19.940 -8.809 3.652 1.00 1.76 H new ATOM 0 HB3 ASN A 61 -21.612 -8.913 4.166 1.00 1.76 H new ATOM 0 HD21 ASN A 61 -19.119 -6.061 5.704 1.00 2.72 H new ATOM 0 HD22 ASN A 61 -18.519 -7.363 4.671 1.00 2.72 H new ATOM 802 N GLY A 62 -19.303 -11.835 3.871 1.00 1.06 N ATOM 803 CA GLY A 62 -19.228 -13.055 3.050 1.00 1.10 C ATOM 804 C GLY A 62 -19.898 -12.971 1.668 1.00 1.26 C ATOM 805 O GLY A 62 -20.165 -14.010 1.062 1.00 1.45 O ATOM 0 H GLY A 62 -18.406 -11.355 3.940 1.00 1.06 H new ATOM 0 HA2 GLY A 62 -18.178 -13.312 2.909 1.00 1.10 H new ATOM 0 HA3 GLY A 62 -19.685 -13.874 3.606 1.00 1.10 H new ATOM 809 N VAL A 63 -20.204 -11.758 1.185 1.00 1.31 N ATOM 810 CA VAL A 63 -21.181 -11.522 0.106 1.00 1.58 C ATOM 811 C VAL A 63 -20.723 -10.530 -0.981 1.00 1.49 C ATOM 812 O VAL A 63 -20.815 -10.852 -2.169 1.00 1.91 O ATOM 813 CB VAL A 63 -22.522 -11.113 0.754 1.00 1.90 C ATOM 814 CG1 VAL A 63 -22.454 -9.791 1.521 1.00 1.88 C ATOM 815 CG2 VAL A 63 -23.638 -11.030 -0.275 1.00 2.33 C ATOM 0 H VAL A 63 -19.776 -10.901 1.535 1.00 1.31 H new ATOM 0 HA VAL A 63 -21.295 -12.453 -0.449 1.00 1.58 H new ATOM 0 HB VAL A 63 -22.738 -11.903 1.473 1.00 1.90 H new ATOM 0 HG11 VAL A 63 -23.431 -9.568 1.949 1.00 1.88 H new ATOM 0 HG12 VAL A 63 -21.718 -9.872 2.321 1.00 1.88 H new ATOM 0 HG13 VAL A 63 -22.164 -8.990 0.841 1.00 1.88 H new ATOM 0 HG21 VAL A 63 -24.566 -10.740 0.217 1.00 2.33 H new ATOM 0 HG22 VAL A 63 -23.381 -10.288 -1.031 1.00 2.33 H new ATOM 0 HG23 VAL A 63 -23.768 -12.002 -0.750 1.00 2.33 H new ATOM 825 N LYS A 64 -20.220 -9.352 -0.584 1.00 1.25 N ATOM 826 CA LYS A 64 -19.777 -8.233 -1.445 1.00 1.20 C ATOM 827 C LYS A 64 -18.414 -8.473 -2.118 1.00 1.14 C ATOM 828 O LYS A 64 -17.667 -9.336 -1.652 1.00 1.10 O ATOM 829 CB LYS A 64 -19.742 -6.932 -0.606 1.00 1.23 C ATOM 830 CG LYS A 64 -18.932 -7.030 0.705 1.00 1.29 C ATOM 831 CD LYS A 64 -18.330 -5.692 1.169 1.00 1.39 C ATOM 832 CE LYS A 64 -19.282 -4.487 1.163 1.00 1.41 C ATOM 833 NZ LYS A 64 -20.213 -4.481 2.315 1.00 2.38 N ATOM 0 H LYS A 64 -20.102 -9.137 0.406 1.00 1.25 H new ATOM 0 HA LYS A 64 -20.498 -8.148 -2.258 1.00 1.20 H new ATOM 0 HB2 LYS A 64 -19.322 -6.133 -1.217 1.00 1.23 H new ATOM 0 HB3 LYS A 64 -20.765 -6.644 -0.364 1.00 1.23 H new ATOM 0 HG2 LYS A 64 -19.579 -7.418 1.492 1.00 1.29 H new ATOM 0 HG3 LYS A 64 -18.127 -7.752 0.570 1.00 1.29 H new ATOM 0 HD2 LYS A 64 -17.945 -5.821 2.181 1.00 1.39 H new ATOM 0 HD3 LYS A 64 -17.477 -5.459 0.531 1.00 1.39 H new ATOM 0 HE2 LYS A 64 -18.696 -3.568 1.171 1.00 1.41 H new ATOM 0 HE3 LYS A 64 -19.858 -4.490 0.237 1.00 1.41 H new ATOM 0 HZ1 LYS A 64 -20.830 -3.646 2.258 1.00 2.38 H new ATOM 0 HZ2 LYS A 64 -20.794 -5.343 2.296 1.00 2.38 H new ATOM 0 HZ3 LYS A 64 -19.669 -4.450 3.201 1.00 2.38 H new ATOM 847 N PRO A 65 -18.025 -7.676 -3.135 1.00 1.17 N ATOM 848 CA PRO A 65 -16.615 -7.507 -3.460 1.00 1.10 C ATOM 849 C PRO A 65 -15.896 -6.846 -2.278 1.00 0.96 C ATOM 850 O PRO A 65 -16.316 -5.808 -1.756 1.00 1.05 O ATOM 851 CB PRO A 65 -16.574 -6.657 -4.729 1.00 1.24 C ATOM 852 CG PRO A 65 -17.839 -5.809 -4.620 1.00 1.31 C ATOM 853 CD PRO A 65 -18.828 -6.759 -3.940 1.00 1.28 C ATOM 0 HA PRO A 65 -16.103 -8.453 -3.637 1.00 1.10 H new ATOM 0 HB2 PRO A 65 -15.677 -6.039 -4.771 1.00 1.24 H new ATOM 0 HB3 PRO A 65 -16.579 -7.274 -5.628 1.00 1.24 H new ATOM 0 HG2 PRO A 65 -17.672 -4.908 -4.029 1.00 1.31 H new ATOM 0 HG3 PRO A 65 -18.195 -5.487 -5.598 1.00 1.31 H new ATOM 0 HD2 PRO A 65 -19.531 -6.207 -3.316 1.00 1.28 H new ATOM 0 HD3 PRO A 65 -19.416 -7.303 -4.679 1.00 1.28 H new ATOM 861 N PHE A 66 -14.820 -7.484 -1.834 1.00 0.83 N ATOM 862 CA PHE A 66 -14.033 -7.093 -0.668 1.00 0.69 C ATOM 863 C PHE A 66 -13.025 -5.998 -1.013 1.00 0.64 C ATOM 864 O PHE A 66 -12.819 -5.065 -0.239 1.00 0.59 O ATOM 865 CB PHE A 66 -13.305 -8.337 -0.156 1.00 0.69 C ATOM 866 CG PHE A 66 -14.167 -9.565 0.104 1.00 0.74 C ATOM 867 CD1 PHE A 66 -15.441 -9.451 0.698 1.00 1.80 C ATOM 868 CD2 PHE A 66 -13.709 -10.831 -0.305 1.00 1.89 C ATOM 869 CE1 PHE A 66 -16.258 -10.587 0.847 1.00 1.79 C ATOM 870 CE2 PHE A 66 -14.515 -11.971 -0.133 1.00 1.98 C ATOM 871 CZ PHE A 66 -15.797 -11.848 0.432 1.00 0.91 C ATOM 0 H PHE A 66 -14.457 -8.320 -2.293 1.00 0.83 H new ATOM 0 HA PHE A 66 -14.695 -6.689 0.097 1.00 0.69 H new ATOM 0 HB2 PHE A 66 -12.536 -8.606 -0.881 1.00 0.69 H new ATOM 0 HB3 PHE A 66 -12.793 -8.076 0.770 1.00 0.69 H new ATOM 0 HD1 PHE A 66 -15.791 -8.488 1.040 1.00 1.80 H new ATOM 0 HD2 PHE A 66 -12.732 -10.928 -0.754 1.00 1.89 H new ATOM 0 HE1 PHE A 66 -17.242 -10.490 1.281 1.00 1.79 H new ATOM 0 HE2 PHE A 66 -14.149 -12.941 -0.435 1.00 1.98 H new ATOM 0 HZ PHE A 66 -16.425 -12.719 0.547 1.00 0.91 H new ATOM 881 N MET A 67 -12.430 -6.113 -2.201 1.00 0.75 N ATOM 882 CA MET A 67 -11.664 -5.055 -2.856 1.00 0.82 C ATOM 883 C MET A 67 -12.582 -3.855 -3.198 1.00 0.86 C ATOM 884 O MET A 67 -13.482 -3.992 -4.035 1.00 0.94 O ATOM 885 CB MET A 67 -10.972 -5.611 -4.111 1.00 0.95 C ATOM 886 CG MET A 67 -9.704 -6.401 -3.757 1.00 0.96 C ATOM 887 SD MET A 67 -8.444 -5.402 -2.911 1.00 0.93 S ATOM 888 CE MET A 67 -7.122 -6.611 -2.687 1.00 0.98 C ATOM 0 H MET A 67 -12.470 -6.972 -2.750 1.00 0.75 H new ATOM 0 HA MET A 67 -10.893 -4.695 -2.175 1.00 0.82 H new ATOM 0 HB2 MET A 67 -11.664 -6.256 -4.652 1.00 0.95 H new ATOM 0 HB3 MET A 67 -10.714 -4.789 -4.779 1.00 0.95 H new ATOM 0 HG2 MET A 67 -9.976 -7.244 -3.122 1.00 0.96 H new ATOM 0 HG3 MET A 67 -9.276 -6.815 -4.670 1.00 0.96 H new ATOM 0 HE1 MET A 67 -6.376 -6.211 -2.001 1.00 0.98 H new ATOM 0 HE2 MET A 67 -7.537 -7.532 -2.276 1.00 0.98 H new ATOM 0 HE3 MET A 67 -6.654 -6.821 -3.649 1.00 0.98 H new ATOM 898 N PRO A 68 -12.387 -2.682 -2.562 1.00 0.83 N ATOM 899 CA PRO A 68 -13.347 -1.575 -2.579 1.00 0.85 C ATOM 900 C PRO A 68 -13.413 -0.820 -3.914 1.00 0.98 C ATOM 901 O PRO A 68 -12.427 -0.723 -4.657 1.00 1.08 O ATOM 902 CB PRO A 68 -12.926 -0.653 -1.429 1.00 0.79 C ATOM 903 CG PRO A 68 -11.426 -0.906 -1.301 1.00 0.81 C ATOM 904 CD PRO A 68 -11.308 -2.389 -1.630 1.00 0.80 C ATOM 0 HA PRO A 68 -14.359 -1.961 -2.456 1.00 0.85 H new ATOM 0 HB2 PRO A 68 -13.139 0.392 -1.654 1.00 0.79 H new ATOM 0 HB3 PRO A 68 -13.454 -0.895 -0.507 1.00 0.79 H new ATOM 0 HG2 PRO A 68 -10.851 -0.291 -1.993 1.00 0.81 H new ATOM 0 HG3 PRO A 68 -11.062 -0.683 -0.298 1.00 0.81 H new ATOM 0 HD2 PRO A 68 -10.338 -2.614 -2.073 1.00 0.80 H new ATOM 0 HD3 PRO A 68 -11.395 -2.996 -0.729 1.00 0.80 H new ATOM 912 N THR A 69 -14.580 -0.233 -4.188 1.00 1.04 N ATOM 913 CA THR A 69 -14.852 0.645 -5.335 1.00 1.19 C ATOM 914 C THR A 69 -14.366 2.073 -5.080 1.00 1.16 C ATOM 915 O THR A 69 -14.082 2.443 -3.942 1.00 1.07 O ATOM 916 CB THR A 69 -16.347 0.627 -5.702 1.00 1.31 C ATOM 917 OG1 THR A 69 -17.138 1.119 -4.642 1.00 1.30 O ATOM 918 CG2 THR A 69 -16.845 -0.778 -6.042 1.00 1.38 C ATOM 0 H THR A 69 -15.398 -0.360 -3.593 1.00 1.04 H new ATOM 0 HA THR A 69 -14.291 0.256 -6.184 1.00 1.19 H new ATOM 0 HB THR A 69 -16.444 1.266 -6.580 1.00 1.31 H new ATOM 0 HG1 THR A 69 -17.138 0.472 -3.906 1.00 1.30 H new ATOM 0 HG21 THR A 69 -17.905 -0.737 -6.294 1.00 1.38 H new ATOM 0 HG22 THR A 69 -16.285 -1.167 -6.892 1.00 1.38 H new ATOM 0 HG23 THR A 69 -16.701 -1.433 -5.183 1.00 1.38 H new ATOM 926 N ALA A 70 -14.241 2.883 -6.131 1.00 1.26 N ATOM 927 CA ALA A 70 -13.557 4.185 -6.094 1.00 1.27 C ATOM 928 C ALA A 70 -13.981 5.116 -4.934 1.00 1.20 C ATOM 929 O ALA A 70 -13.110 5.641 -4.235 1.00 1.12 O ATOM 930 CB ALA A 70 -13.741 4.877 -7.451 1.00 1.49 C ATOM 0 H ALA A 70 -14.617 2.653 -7.051 1.00 1.26 H new ATOM 0 HA ALA A 70 -12.505 3.979 -5.899 1.00 1.27 H new ATOM 0 HB1 ALA A 70 -13.238 5.844 -7.437 1.00 1.49 H new ATOM 0 HB2 ALA A 70 -13.312 4.256 -8.237 1.00 1.49 H new ATOM 0 HB3 ALA A 70 -14.804 5.023 -7.644 1.00 1.49 H new ATOM 936 N ALA A 71 -15.282 5.289 -4.674 1.00 1.28 N ATOM 937 CA ALA A 71 -15.759 6.160 -3.591 1.00 1.31 C ATOM 938 C ALA A 71 -15.585 5.559 -2.182 1.00 1.17 C ATOM 939 O ALA A 71 -15.410 6.309 -1.219 1.00 1.14 O ATOM 940 CB ALA A 71 -17.217 6.544 -3.856 1.00 1.58 C ATOM 0 H ALA A 71 -16.028 4.835 -5.201 1.00 1.28 H new ATOM 0 HA ALA A 71 -15.132 7.051 -3.596 1.00 1.31 H new ATOM 0 HB1 ALA A 71 -17.574 7.190 -3.054 1.00 1.58 H new ATOM 0 HB2 ALA A 71 -17.287 7.072 -4.807 1.00 1.58 H new ATOM 0 HB3 ALA A 71 -17.829 5.643 -3.896 1.00 1.58 H new ATOM 946 N GLU A 72 -15.577 4.224 -2.068 1.00 1.10 N ATOM 947 CA GLU A 72 -15.255 3.485 -0.850 1.00 0.96 C ATOM 948 C GLU A 72 -13.761 3.661 -0.559 1.00 0.81 C ATOM 949 O GLU A 72 -13.387 4.170 0.491 1.00 0.75 O ATOM 950 CB GLU A 72 -15.625 1.995 -1.000 1.00 0.98 C ATOM 951 CG GLU A 72 -17.110 1.759 -1.306 1.00 1.18 C ATOM 952 CD GLU A 72 -17.439 0.266 -1.446 1.00 1.53 C ATOM 953 OE1 GLU A 72 -17.007 -0.378 -2.436 1.00 2.09 O ATOM 954 OE2 GLU A 72 -18.168 -0.270 -0.577 1.00 2.20 O ATOM 0 H GLU A 72 -15.803 3.612 -2.852 1.00 1.10 H new ATOM 0 HA GLU A 72 -15.836 3.874 -0.014 1.00 0.96 H new ATOM 0 HB2 GLU A 72 -15.024 1.559 -1.798 1.00 0.98 H new ATOM 0 HB3 GLU A 72 -15.364 1.470 -0.081 1.00 0.98 H new ATOM 0 HG2 GLU A 72 -17.717 2.191 -0.510 1.00 1.18 H new ATOM 0 HG3 GLU A 72 -17.377 2.277 -2.227 1.00 1.18 H new ATOM 961 N ARG A 73 -12.901 3.340 -1.535 1.00 0.80 N ATOM 962 CA ARG A 73 -11.443 3.544 -1.492 1.00 0.77 C ATOM 963 C ARG A 73 -11.086 4.971 -1.057 1.00 0.78 C ATOM 964 O ARG A 73 -10.230 5.154 -0.192 1.00 0.79 O ATOM 965 CB ARG A 73 -10.908 3.198 -2.896 1.00 0.95 C ATOM 966 CG ARG A 73 -9.390 3.047 -3.060 1.00 1.42 C ATOM 967 CD ARG A 73 -8.615 4.363 -2.924 1.00 2.86 C ATOM 968 NE ARG A 73 -7.364 4.315 -3.699 1.00 2.80 N ATOM 969 CZ ARG A 73 -7.059 4.986 -4.793 1.00 3.53 C ATOM 970 NH1 ARG A 73 -7.840 5.872 -5.334 1.00 4.71 N ATOM 971 NH2 ARG A 73 -5.928 4.760 -5.392 1.00 3.90 N ATOM 0 H ARG A 73 -13.211 2.915 -2.409 1.00 0.80 H new ATOM 0 HA ARG A 73 -10.977 2.900 -0.747 1.00 0.77 H new ATOM 0 HB2 ARG A 73 -11.375 2.265 -3.213 1.00 0.95 H new ATOM 0 HB3 ARG A 73 -11.245 3.973 -3.584 1.00 0.95 H new ATOM 0 HG2 ARG A 73 -9.023 2.342 -2.314 1.00 1.42 H new ATOM 0 HG3 ARG A 73 -9.182 2.614 -4.038 1.00 1.42 H new ATOM 0 HD2 ARG A 73 -9.232 5.191 -3.272 1.00 2.86 H new ATOM 0 HD3 ARG A 73 -8.391 4.552 -1.874 1.00 2.86 H new ATOM 0 HE ARG A 73 -6.644 3.685 -3.346 1.00 2.80 H new ATOM 0 HH11 ARG A 73 -8.745 6.081 -4.911 1.00 4.71 H new ATOM 0 HH12 ARG A 73 -7.549 6.359 -6.182 1.00 4.71 H new ATOM 0 HH21 ARG A 73 -5.281 4.067 -5.016 1.00 3.90 H new ATOM 0 HH22 ARG A 73 -5.687 5.276 -6.238 1.00 3.90 H new ATOM 985 N ASP A 74 -11.778 5.964 -1.615 1.00 0.87 N ATOM 986 CA ASP A 74 -11.608 7.375 -1.270 1.00 0.97 C ATOM 987 C ASP A 74 -12.021 7.683 0.179 1.00 0.97 C ATOM 988 O ASP A 74 -11.229 8.240 0.939 1.00 1.00 O ATOM 989 CB ASP A 74 -12.407 8.231 -2.260 1.00 1.12 C ATOM 990 CG ASP A 74 -12.219 9.737 -2.043 1.00 1.33 C ATOM 991 OD1 ASP A 74 -11.084 10.191 -1.764 1.00 2.22 O ATOM 992 OD2 ASP A 74 -13.207 10.495 -2.178 1.00 1.84 O ATOM 0 H ASP A 74 -12.486 5.807 -2.333 1.00 0.87 H new ATOM 0 HA ASP A 74 -10.547 7.616 -1.341 1.00 0.97 H new ATOM 0 HB2 ASP A 74 -12.106 7.976 -3.276 1.00 1.12 H new ATOM 0 HB3 ASP A 74 -13.465 7.987 -2.170 1.00 1.12 H new ATOM 997 N GLU A 75 -13.225 7.289 0.611 1.00 0.98 N ATOM 998 CA GLU A 75 -13.665 7.549 1.990 1.00 1.03 C ATOM 999 C GLU A 75 -12.858 6.779 3.050 1.00 0.91 C ATOM 1000 O GLU A 75 -12.755 7.228 4.191 1.00 0.95 O ATOM 1001 CB GLU A 75 -15.173 7.330 2.154 1.00 1.14 C ATOM 1002 CG GLU A 75 -15.621 5.866 2.221 1.00 1.09 C ATOM 1003 CD GLU A 75 -17.110 5.736 2.540 1.00 1.28 C ATOM 1004 OE1 GLU A 75 -17.549 6.120 3.655 1.00 2.28 O ATOM 1005 OE2 GLU A 75 -17.856 5.153 1.719 1.00 1.80 O ATOM 0 H GLU A 75 -13.906 6.795 0.035 1.00 0.98 H new ATOM 0 HA GLU A 75 -13.459 8.604 2.172 1.00 1.03 H new ATOM 0 HB2 GLU A 75 -15.499 7.834 3.064 1.00 1.14 H new ATOM 0 HB3 GLU A 75 -15.686 7.811 1.321 1.00 1.14 H new ATOM 0 HG2 GLU A 75 -15.410 5.379 1.269 1.00 1.09 H new ATOM 0 HG3 GLU A 75 -15.041 5.344 2.982 1.00 1.09 H new ATOM 1012 N ILE A 76 -12.256 5.650 2.671 1.00 0.77 N ATOM 1013 CA ILE A 76 -11.374 4.832 3.510 1.00 0.69 C ATOM 1014 C ILE A 76 -10.002 5.507 3.658 1.00 0.74 C ATOM 1015 O ILE A 76 -9.498 5.660 4.771 1.00 0.83 O ATOM 1016 CB ILE A 76 -11.299 3.410 2.909 1.00 0.57 C ATOM 1017 CG1 ILE A 76 -12.656 2.682 3.086 1.00 0.59 C ATOM 1018 CG2 ILE A 76 -10.165 2.598 3.547 1.00 0.56 C ATOM 1019 CD1 ILE A 76 -12.918 1.567 2.065 1.00 0.57 C ATOM 0 H ILE A 76 -12.373 5.264 1.734 1.00 0.77 H new ATOM 0 HA ILE A 76 -11.772 4.742 4.521 1.00 0.69 H new ATOM 0 HB ILE A 76 -11.085 3.502 1.844 1.00 0.57 H new ATOM 0 HG12 ILE A 76 -12.697 2.256 4.089 1.00 0.59 H new ATOM 0 HG13 ILE A 76 -13.459 3.416 3.018 1.00 0.59 H new ATOM 0 HG21 ILE A 76 -10.137 1.602 3.104 1.00 0.56 H new ATOM 0 HG22 ILE A 76 -9.214 3.101 3.371 1.00 0.56 H new ATOM 0 HG23 ILE A 76 -10.337 2.513 4.620 1.00 0.56 H new ATOM 0 HD11 ILE A 76 -13.889 1.113 2.264 1.00 0.57 H new ATOM 0 HD12 ILE A 76 -12.913 1.986 1.059 1.00 0.57 H new ATOM 0 HD13 ILE A 76 -12.139 0.809 2.146 1.00 0.57 H new ATOM 1031 N LEU A 77 -9.417 6.016 2.568 1.00 0.75 N ATOM 1032 CA LEU A 77 -8.224 6.870 2.651 1.00 0.82 C ATOM 1033 C LEU A 77 -8.470 8.137 3.479 1.00 0.92 C ATOM 1034 O LEU A 77 -7.577 8.599 4.196 1.00 1.01 O ATOM 1035 CB LEU A 77 -7.788 7.257 1.237 1.00 0.82 C ATOM 1036 CG LEU A 77 -6.941 6.187 0.538 1.00 0.81 C ATOM 1037 CD1 LEU A 77 -6.738 6.645 -0.899 1.00 0.86 C ATOM 1038 CD2 LEU A 77 -5.570 6.004 1.203 1.00 0.84 C ATOM 0 H LEU A 77 -9.749 5.852 1.618 1.00 0.75 H new ATOM 0 HA LEU A 77 -7.441 6.302 3.154 1.00 0.82 H new ATOM 0 HB2 LEU A 77 -8.674 7.456 0.635 1.00 0.82 H new ATOM 0 HB3 LEU A 77 -7.219 8.185 1.283 1.00 0.82 H new ATOM 0 HG LEU A 77 -7.458 5.229 0.598 1.00 0.81 H new ATOM 0 HD11 LEU A 77 -6.138 5.909 -1.434 1.00 0.86 H new ATOM 0 HD12 LEU A 77 -7.707 6.748 -1.388 1.00 0.86 H new ATOM 0 HD13 LEU A 77 -6.224 7.606 -0.905 1.00 0.86 H new ATOM 0 HD21 LEU A 77 -5.008 5.236 0.672 1.00 0.84 H new ATOM 0 HD22 LEU A 77 -5.021 6.945 1.169 1.00 0.84 H new ATOM 0 HD23 LEU A 77 -5.707 5.701 2.241 1.00 0.84 H new ATOM 1050 N ARG A 78 -9.685 8.681 3.424 1.00 0.95 N ATOM 1051 CA ARG A 78 -10.119 9.795 4.282 1.00 1.09 C ATOM 1052 C ARG A 78 -10.335 9.366 5.741 1.00 1.11 C ATOM 1053 O ARG A 78 -10.028 10.139 6.644 1.00 1.23 O ATOM 1054 CB ARG A 78 -11.355 10.486 3.690 1.00 1.17 C ATOM 1055 CG ARG A 78 -11.057 11.182 2.352 1.00 1.26 C ATOM 1056 CD ARG A 78 -12.365 11.543 1.646 1.00 1.39 C ATOM 1057 NE ARG A 78 -12.128 11.986 0.267 1.00 2.35 N ATOM 1058 CZ ARG A 78 -12.409 13.150 -0.277 1.00 3.01 C ATOM 1059 NH1 ARG A 78 -12.762 14.215 0.384 1.00 3.34 N ATOM 1060 NH2 ARG A 78 -12.377 13.254 -1.568 1.00 4.19 N ATOM 0 H ARG A 78 -10.407 8.361 2.778 1.00 0.95 H new ATOM 0 HA ARG A 78 -9.309 10.524 4.306 1.00 1.09 H new ATOM 0 HB2 ARG A 78 -12.144 9.749 3.544 1.00 1.17 H new ATOM 0 HB3 ARG A 78 -11.732 11.220 4.402 1.00 1.17 H new ATOM 0 HG2 ARG A 78 -10.467 12.082 2.525 1.00 1.26 H new ATOM 0 HG3 ARG A 78 -10.460 10.527 1.717 1.00 1.26 H new ATOM 0 HD2 ARG A 78 -13.028 10.678 1.642 1.00 1.39 H new ATOM 0 HD3 ARG A 78 -12.873 12.332 2.200 1.00 1.39 H new ATOM 0 HE ARG A 78 -11.688 11.303 -0.349 1.00 2.35 H new ATOM 0 HH11 ARG A 78 -12.837 14.183 1.401 1.00 3.34 H new ATOM 0 HH12 ARG A 78 -12.963 15.082 -0.115 1.00 3.34 H new ATOM 0 HH21 ARG A 78 -12.138 12.444 -2.139 1.00 4.19 H new ATOM 0 HH22 ARG A 78 -12.591 14.146 -2.013 1.00 4.19 H new ATOM 1074 N ALA A 79 -10.731 8.116 5.992 1.00 1.06 N ATOM 1075 CA ALA A 79 -10.786 7.515 7.330 1.00 1.15 C ATOM 1076 C ALA A 79 -9.398 7.223 7.938 1.00 1.16 C ATOM 1077 O ALA A 79 -9.246 7.229 9.163 1.00 1.33 O ATOM 1078 CB ALA A 79 -11.648 6.248 7.271 1.00 1.14 C ATOM 0 H ALA A 79 -11.030 7.478 5.255 1.00 1.06 H new ATOM 0 HA ALA A 79 -11.238 8.246 8.001 1.00 1.15 H new ATOM 0 HB1 ALA A 79 -11.695 5.794 8.261 1.00 1.14 H new ATOM 0 HB2 ALA A 79 -12.654 6.508 6.942 1.00 1.14 H new ATOM 0 HB3 ALA A 79 -11.208 5.541 6.568 1.00 1.14 H new ATOM 1084 N VAL A 80 -8.357 7.030 7.116 1.00 1.06 N ATOM 1085 CA VAL A 80 -6.957 7.125 7.566 1.00 1.09 C ATOM 1086 C VAL A 80 -6.623 8.585 7.884 1.00 1.08 C ATOM 1087 O VAL A 80 -6.064 8.887 8.940 1.00 1.11 O ATOM 1088 CB VAL A 80 -5.988 6.566 6.505 1.00 1.05 C ATOM 1089 CG1 VAL A 80 -4.540 6.600 6.987 1.00 1.14 C ATOM 1090 CG2 VAL A 80 -6.302 5.113 6.153 1.00 1.11 C ATOM 0 H VAL A 80 -8.458 6.805 6.126 1.00 1.06 H new ATOM 0 HA VAL A 80 -6.839 6.522 8.466 1.00 1.09 H new ATOM 0 HB VAL A 80 -6.117 7.205 5.632 1.00 1.05 H new ATOM 0 HG11 VAL A 80 -3.889 6.198 6.211 1.00 1.14 H new ATOM 0 HG12 VAL A 80 -4.253 7.629 7.204 1.00 1.14 H new ATOM 0 HG13 VAL A 80 -4.443 5.998 7.890 1.00 1.14 H new ATOM 0 HG21 VAL A 80 -5.595 4.760 5.402 1.00 1.11 H new ATOM 0 HG22 VAL A 80 -6.220 4.496 7.048 1.00 1.11 H new ATOM 0 HG23 VAL A 80 -7.315 5.045 5.758 1.00 1.11 H new ATOM 1100 N GLY A 81 -6.973 9.492 6.967 1.00 1.07 N ATOM 1101 CA GLY A 81 -6.661 10.922 7.057 1.00 1.12 C ATOM 1102 C GLY A 81 -5.215 11.252 6.669 1.00 1.14 C ATOM 1103 O GLY A 81 -4.772 12.386 6.819 1.00 1.23 O ATOM 0 H GLY A 81 -7.492 9.248 6.124 1.00 1.07 H new ATOM 0 HA2 GLY A 81 -7.340 11.476 6.409 1.00 1.12 H new ATOM 0 HA3 GLY A 81 -6.844 11.263 8.076 1.00 1.12 H new ATOM 1107 N ASN A 82 -4.480 10.256 6.174 1.00 1.10 N ATOM 1108 CA ASN A 82 -3.105 10.352 5.686 1.00 1.12 C ATOM 1109 C ASN A 82 -2.847 9.218 4.665 1.00 1.10 C ATOM 1110 O ASN A 82 -3.775 8.489 4.302 1.00 1.09 O ATOM 1111 CB ASN A 82 -2.159 10.292 6.908 1.00 1.22 C ATOM 1112 CG ASN A 82 -0.739 10.685 6.548 1.00 1.31 C ATOM 1113 OD1 ASN A 82 -0.495 11.701 5.911 1.00 1.78 O ATOM 1114 ND2 ASN A 82 0.229 9.851 6.835 1.00 1.82 N ATOM 0 H ASN A 82 -4.849 9.308 6.099 1.00 1.10 H new ATOM 0 HA ASN A 82 -2.923 11.292 5.165 1.00 1.12 H new ATOM 0 HB2 ASN A 82 -2.532 10.956 7.688 1.00 1.22 H new ATOM 0 HB3 ASN A 82 -2.162 9.283 7.320 1.00 1.22 H new ATOM 0 HD21 ASN A 82 1.181 10.050 6.528 1.00 1.82 H new ATOM 0 HD22 ASN A 82 0.031 9.003 7.366 1.00 1.82 H new ATOM 1121 N MET A 83 -1.612 9.031 4.196 1.00 1.15 N ATOM 1122 CA MET A 83 -1.215 7.854 3.425 1.00 1.09 C ATOM 1123 C MET A 83 -0.932 6.691 4.395 1.00 1.11 C ATOM 1124 O MET A 83 -0.023 6.820 5.225 1.00 1.35 O ATOM 1125 CB MET A 83 0.009 8.228 2.571 1.00 1.23 C ATOM 1126 CG MET A 83 0.281 7.243 1.433 1.00 1.21 C ATOM 1127 SD MET A 83 -0.494 7.656 -0.161 1.00 1.23 S ATOM 1128 CE MET A 83 -2.210 7.137 0.090 1.00 1.01 C ATOM 0 H MET A 83 -0.854 9.698 4.342 1.00 1.15 H new ATOM 0 HA MET A 83 -2.007 7.526 2.752 1.00 1.09 H new ATOM 0 HB2 MET A 83 -0.140 9.223 2.152 1.00 1.23 H new ATOM 0 HB3 MET A 83 0.888 8.281 3.213 1.00 1.23 H new ATOM 0 HG2 MET A 83 1.359 7.173 1.286 1.00 1.21 H new ATOM 0 HG3 MET A 83 -0.064 6.256 1.740 1.00 1.21 H new ATOM 0 HE1 MET A 83 -2.699 7.016 -0.877 1.00 1.01 H new ATOM 0 HE2 MET A 83 -2.228 6.189 0.627 1.00 1.01 H new ATOM 0 HE3 MET A 83 -2.738 7.894 0.671 1.00 1.01 H new ATOM 1138 N PRO A 84 -1.642 5.544 4.323 1.00 0.92 N ATOM 1139 CA PRO A 84 -1.447 4.446 5.272 1.00 0.92 C ATOM 1140 C PRO A 84 -0.143 3.678 5.042 1.00 1.02 C ATOM 1141 O PRO A 84 0.163 2.761 5.808 1.00 1.08 O ATOM 1142 CB PRO A 84 -2.680 3.551 5.131 1.00 0.80 C ATOM 1143 CG PRO A 84 -3.139 3.762 3.690 1.00 0.76 C ATOM 1144 CD PRO A 84 -2.679 5.190 3.361 1.00 0.80 C ATOM 0 HA PRO A 84 -1.348 4.830 6.287 1.00 0.92 H new ATOM 0 HB2 PRO A 84 -2.436 2.506 5.321 1.00 0.80 H new ATOM 0 HB3 PRO A 84 -3.458 3.831 5.841 1.00 0.80 H new ATOM 0 HG2 PRO A 84 -2.689 3.032 3.017 1.00 0.76 H new ATOM 0 HG3 PRO A 84 -4.220 3.659 3.596 1.00 0.76 H new ATOM 0 HD2 PRO A 84 -2.293 5.245 2.343 1.00 0.80 H new ATOM 0 HD3 PRO A 84 -3.515 5.887 3.423 1.00 0.80 H new ATOM 1152 N TYR A 85 0.605 4.056 4.003 1.00 1.10 N ATOM 1153 CA TYR A 85 1.848 3.426 3.551 1.00 1.32 C ATOM 1154 C TYR A 85 3.062 3.984 4.309 1.00 1.50 C ATOM 1155 O TYR A 85 3.524 3.311 5.263 1.00 2.59 O ATOM 1156 CB TYR A 85 1.953 3.606 2.022 1.00 1.34 C ATOM 1157 CG TYR A 85 0.684 3.402 1.204 1.00 1.27 C ATOM 1158 CD1 TYR A 85 -0.293 2.456 1.581 1.00 2.69 C ATOM 1159 CD2 TYR A 85 0.459 4.215 0.075 1.00 1.92 C ATOM 1160 CE1 TYR A 85 -1.493 2.351 0.853 1.00 3.11 C ATOM 1161 CE2 TYR A 85 -0.751 4.126 -0.641 1.00 1.82 C ATOM 1162 CZ TYR A 85 -1.734 3.201 -0.244 1.00 1.92 C ATOM 1163 OH TYR A 85 -2.932 3.150 -0.880 1.00 2.44 O ATOM 0 H TYR A 85 0.346 4.854 3.423 1.00 1.10 H new ATOM 0 HA TYR A 85 1.836 2.359 3.773 1.00 1.32 H new ATOM 0 HB2 TYR A 85 2.322 4.613 1.826 1.00 1.34 H new ATOM 0 HB3 TYR A 85 2.708 2.912 1.652 1.00 1.34 H new ATOM 0 HD1 TYR A 85 -0.120 1.811 2.430 1.00 2.69 H new ATOM 0 HD2 TYR A 85 1.220 4.912 -0.244 1.00 1.92 H new ATOM 0 HE1 TYR A 85 -2.232 1.616 1.137 1.00 3.11 H new ATOM 0 HE2 TYR A 85 -0.924 4.767 -1.493 1.00 1.82 H new ATOM 0 HH TYR A 85 -2.940 3.799 -1.614 1.00 2.44 H new